#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4i s ARG 359 N 0.00 4.10 0.07 -0.14 3.52 -1.26 -4.56 118.95 120.67 3d4i s ARG 359 Ca 0.00 2.48 0.02 0.00 -0.13 0.00 0.00 55.73 58.10 3d4i s ARG 359 Cb 0.00 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 3d4i s ARG 359 CO 0.00 -0.51 -0.08 0.20 -0.81 0.00 0.00 175.30 174.11 3d4i s GLY 360 N -0.27 0.63 -0.17 8.12 0.00 -0.60 -1.48 107.32 113.56 3d4i s GLY 360 Ca 0.53 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3d4i s GLY 360 CO 0.60 -1.08 -0.10 -0.42 0.00 0.00 0.00 173.10 172.10 3d4i s ILE 361 N -2.24 1.42 -0.32 0.90 -1.09 0.27 -0.75 121.20 119.39 3d4i s ILE 361 Ca -0.01 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 57.65 3d4i s ILE 361 Cb -0.04 -1.46 0.04 0.00 -1.58 0.00 0.00 42.46 39.42 3d4i s ILE 361 CO -0.01 0.26 0.05 -0.22 -1.23 0.00 0.00 174.94 173.79 3d4i s LEU 362 N 1.52 4.10 -0.16 2.97 2.96 0.14 -1.49 118.68 128.72 3d4i s LEU 362 Ca 0.02 -1.19 -0.20 0.00 -0.22 0.00 0.00 54.13 52.53 3d4i s LEU 362 Cb -0.15 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3d4i s LEU 362 CO -0.09 -0.29 0.60 -0.69 -1.32 0.00 0.00 176.35 174.56 3d4i s VAL 363 N 1.33 5.07 -0.10 1.68 1.01 -0.19 -0.36 120.40 128.84 3d4i s VAL 363 Ca -0.03 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.12 3d4i s VAL 363 Cb -0.20 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3d4i s VAL 363 CO 0.01 0.19 -0.11 -0.63 0.00 0.00 0.00 175.10 174.56 3d4i s ILE 364 N 1.42 1.19 0.22 2.22 1.01 0.59 -2.01 121.20 125.85 3d4i s ILE 364 Ca 0.29 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 3d4i s ILE 364 Cb -0.16 -1.14 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 3d4i s ILE 364 CO 0.12 0.39 1.27 -0.60 0.00 0.00 0.00 174.94 176.11 3d4i s ARG 365 N 1.27 4.43 0.98 2.79 3.00 -0.17 -1.29 118.95 129.96 3d4i s ARG 365 Ca -0.02 2.02 -0.13 0.00 -1.00 0.00 0.00 55.73 56.60 3d4i s ARG 365 Cb -0.14 -3.18 0.06 0.00 0.00 0.00 0.00 34.95 31.69 3d4i s ARG 365 CO -0.04 -0.17 0.42 -2.39 0.00 0.00 0.00 175.30 173.12 3d4i n HIS 366 N 2.18 -1.26 -1.45 5.12 1.44 -0.67 -1.69 115.22 118.90 3d4i n HIS 366 Ca 0.04 0.22 -0.28 0.00 -2.01 0.00 0.00 57.72 55.70 3d4i n HIS 366 Cb 0.43 -1.77 0.21 0.00 0.12 0.00 0.00 29.99 28.98 3d4i n HIS 366 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3d4i n GLY 367 N 1.46 -2.10 3.69 -1.39 0.00 -1.26 -2.92 105.19 102.67 3d4i n GLY 367 Ca 0.06 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 3d4i n GLY 367 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d4i n GLU 368 N -4.11 2.25 -3.30 1.61 2.13 -1.26 -4.92 120.64 113.03 3d4i n GLU 368 Ca 0.15 0.80 -0.36 0.00 0.66 0.00 0.00 57.16 58.41 3d4i n GLU 368 Cb 0.54 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.66 3d4i n GLU 368 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3d4i s ARG 369 N 0.18 4.06 0.41 5.31 0.52 -1.26 -1.42 118.95 126.75 3d4i s ARG 369 Ca 0.72 0.60 0.10 0.00 -0.52 0.00 0.00 55.73 56.63 3d4i s ARG 369 Cb -0.62 -2.96 0.92 0.00 0.52 0.00 0.00 34.95 32.81 3d4i s ARG 369 CO 0.44 0.48 2.00 -0.39 0.02 0.00 0.00 175.30 177.84 3d4i h VAL 370 N 2.87 0.98 0.00 3.52 -1.51 -1.65 -2.30 116.25 118.17 3d4i h VAL 370 Ca -0.49 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3d4i h VAL 370 Cb 1.20 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3d4i h VAL 370 CO 0.65 0.10 0.00 -2.24 -1.23 0.00 0.00 177.57 174.85 3d4i h ASP 371 N 0.53 0.00 -0.46 4.19 2.03 -1.84 -1.40 116.42 119.47 3d4i h ASP 371 Ca 0.25 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.50 3d4i h ASP 371 Cb 0.31 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.78 3d4i h ASP 371 CO -0.07 0.00 0.13 -0.61 -1.03 0.00 0.00 179.24 177.66 3d4i h GLN 372 N 0.00 0.78 0.06 4.15 4.15 -1.71 0.86 115.11 123.40 3d4i h GLN 372 Ca 0.00 -0.15 -0.24 0.00 0.77 0.00 0.00 58.65 59.03 3d4i h GLN 372 Cb 0.93 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 3d4i h GLN 372 CO 0.00 0.70 -1.27 0.28 -1.93 0.00 0.00 178.83 176.61 3d4i h VAL 373 N 0.76 1.02 -0.02 2.39 2.07 -1.57 -3.40 116.25 117.49 3d4i h VAL 373 Ca 0.17 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3d4i h VAL 373 Cb 0.26 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3d4i h VAL 373 CO -0.00 0.57 -0.27 0.49 0.02 0.00 0.00 177.57 178.38 3d4i n PHE 374 N -4.14 0.00 -1.34 1.57 3.72 -0.54 -5.09 117.46 111.64 3d4i n PHE 374 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 3d4i n PHE 374 Cb 0.79 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 3d4i n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4i n GLY 375 N 1.38 -2.27 0.27 1.37 0.00 0.30 -4.23 105.19 102.00 3d4i n GLY 375 Ca 0.11 -1.53 0.16 0.00 0.00 0.00 0.00 46.02 44.76 3d4i n GLY 375 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d4i h LYS 376 N 0.00 0.00 -0.37 1.61 1.79 -1.97 -2.76 116.57 114.87 3d4i h LYS 376 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3d4i h LYS 376 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3d4i h LYS 376 CO 0.00 0.06 0.00 -1.13 -1.08 0.00 0.00 179.45 177.30 3d4i n SER 377 N -3.20 1.93 -0.29 0.86 3.41 -1.26 -4.45 113.62 110.61 3d4i n SER 377 Ca 0.00 -2.02 0.11 0.00 -0.26 0.00 0.00 58.87 56.70 3d4i n SER 377 Cb 0.31 -0.25 0.35 0.00 -0.26 0.00 0.00 64.21 64.36 3d4i n SER 377 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d4i h TRP 378 N 2.02 0.89 -0.52 7.33 5.08 -1.66 -0.95 115.95 128.12 3d4i h TRP 378 Ca 0.00 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.95 3d4i h TRP 378 Cb 0.50 -0.28 -0.02 0.00 -3.00 0.00 0.00 29.16 26.36 3d4i h TRP 378 CO 0.25 0.32 0.14 1.25 -1.28 0.00 0.00 178.44 179.12 3d4i h LEU 379 N 0.75 0.73 -1.51 0.11 6.46 -1.87 -1.47 115.31 118.51 3d4i h LEU 379 Ca 0.46 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 58.05 3d4i h LEU 379 Cb 0.69 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3d4i h LEU 379 CO -0.22 0.71 -0.23 1.56 -0.62 0.00 0.00 178.44 179.64 3d4i h GLN 380 N 0.77 0.03 0.00 1.25 7.50 -1.51 -2.66 115.11 120.49 3d4i h GLN 380 Ca 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.32 3d4i h GLN 380 Cb 0.26 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3d4i h GLN 380 CO -0.00 0.26 0.00 1.96 -1.50 0.00 0.00 178.83 179.54 3d4i h GLN 381 N 0.03 0.00 0.00 1.46 4.20 -1.06 -3.30 115.11 116.43 3d4i h GLN 381 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d4i h GLN 381 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3d4i h GLN 381 CO 0.03 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.12 3d4i s THR 383 N -0.89 0.72 0.70 0.00 -4.23 -1.02 -1.00 115.64 109.91 3d4i s THR 383 Ca 0.06 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 3d4i s THR 383 Cb 0.05 -0.71 0.06 0.00 1.34 0.00 0.00 72.50 73.24 3d4i s THR 383 CO 0.01 -0.21 1.00 0.42 -0.54 0.00 0.00 174.62 175.30 3d4i s THR 384 N -1.07 2.29 0.29 3.99 -4.23 -0.72 -4.85 115.64 111.35 3d4i s THR 384 Ca -0.05 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 3d4i s THR 384 Cb -0.08 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.05 3d4i s THR 384 CO 0.01 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.87 3d4i h ALA 385 N -0.56 1.55 0.00 3.99 0.00 -1.97 0.65 119.26 122.92 3d4i h ALA 385 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3d4i h ALA 385 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3d4i h ALA 385 CO 0.59 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.60 3d4i n ASP 386 N -4.76 0.00 -0.75 0.00 8.00 -1.26 -4.91 116.55 112.88 3d4i n ASP 386 Ca 0.21 -0.71 -0.04 0.00 0.71 0.00 0.00 54.79 54.96 3d4i n ASP 386 Cb 0.50 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3d4i n ASP 386 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4i n GLY 387 N 0.76 0.47 3.73 0.44 0.00 0.23 -5.02 105.19 105.80 3d4i n GLY 387 Ca 0.19 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3d4i n GLY 387 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4i s LYS 388 N -4.74 4.46 0.11 1.61 2.20 -1.26 -4.73 119.74 117.39 3d4i s LYS 388 Ca 0.05 0.98 -0.28 0.00 -0.36 0.00 0.00 55.97 56.37 3d4i s LYS 388 Cb -0.02 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 3d4i s LYS 388 CO 0.07 0.15 0.88 -0.47 -0.36 0.00 0.00 175.35 175.61 3d4i s TYR 389 N 0.46 3.81 0.09 4.03 5.04 -1.26 -1.75 117.35 127.78 3d4i s TYR 389 Ca 0.39 1.69 -0.03 0.00 -2.44 0.00 0.00 57.07 56.67 3d4i s TYR 389 Cb -0.19 -2.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.15 3d4i s TYR 389 CO 0.21 0.28 0.07 1.52 -1.34 0.00 0.00 175.55 176.29 3d4i s TYR 390 N -0.24 0.54 -0.52 4.97 1.13 -0.17 -5.00 117.35 118.06 3d4i s TYR 390 Ca 0.42 -0.99 -0.07 0.00 -1.41 0.00 0.00 57.07 55.02 3d4i s TYR 390 Cb -0.23 -0.32 0.13 0.00 -1.10 0.00 0.00 41.96 40.45 3d4i s TYR 390 CO 0.27 -0.49 0.37 0.50 -2.51 0.00 0.00 175.55 173.69 3d4i s ARG 391 N -3.95 2.48 0.00 -3.49 3.52 -1.26 -4.52 118.95 111.73 3d4i s ARG 391 Ca 0.13 -1.98 0.27 0.00 -0.13 0.00 0.00 55.73 54.01 3d4i s ARG 391 Cb 0.07 -3.86 1.21 0.00 -1.56 0.00 0.00 34.95 30.81 3d4i s ARG 391 CO -0.06 -1.17 1.88 -0.35 -0.81 0.00 0.00 175.30 174.79 3d4i n PRO 392 N 4.49 0.11 -3.68 5.12 -0.04 -1.26 -4.77 135.00 134.97 3d4i n PRO 392 Ca -0.02 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 3d4i n PRO 392 Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 3d4i n PRO 392 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d4i s ASP 393 N -2.88 -0.52 0.40 3.54 -1.08 -1.26 -5.05 116.67 109.82 3d4i s ASP 393 Ca 0.17 0.87 0.27 0.00 -0.52 0.00 0.00 52.55 53.34 3d4i s ASP 393 Cb 0.18 0.89 1.41 0.00 -1.46 0.00 0.00 42.92 43.93 3d4i s ASP 393 CO 0.47 -0.29 1.83 -0.07 0.52 0.00 0.00 175.17 177.63 3d4i h LEU 394 N 4.73 0.00 -0.01 -1.34 3.38 -2.00 -2.18 115.31 117.88 3d4i h LEU 394 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3d4i h LEU 394 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3d4i h LEU 394 CO 0.24 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.57 3d4i n ASN 395 N -2.47 0.12 -4.76 -0.43 5.15 -1.26 -4.60 115.26 107.00 3d4i n ASN 395 Ca -0.01 0.51 -0.39 0.00 -0.60 0.00 0.00 54.58 54.09 3d4i n ASN 395 Cb 0.09 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 38.74 3d4i n ASN 395 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d4i s PHE 396 N -3.02 3.72 0.84 1.20 0.40 -0.82 -0.84 117.98 119.46 3d4i s PHE 396 Ca 0.13 1.80 -0.10 0.00 -0.60 0.00 0.00 56.93 58.15 3d4i s PHE 396 Cb 0.17 -3.08 0.10 0.00 0.51 0.00 0.00 43.02 40.72 3d4i s PHE 396 CO 0.50 -0.02 1.11 -1.25 0.70 0.00 0.00 175.22 176.27 3d4i s PRO 397 N -1.59 1.70 0.47 0.24 0.04 -1.26 -4.64 135.00 129.96 3d4i s PRO 397 Ca 0.46 1.26 0.30 0.00 0.04 0.00 0.00 61.00 63.06 3d4i s PRO 397 Cb -0.26 -1.83 1.14 0.00 0.04 0.00 0.00 34.50 33.60 3d4i s PRO 397 CO 0.33 -2.06 1.88 0.00 0.04 0.00 0.00 177.00 177.18 3d4i h ARG 398 N -1.44 0.00 -3.24 4.56 3.08 -1.96 -3.45 114.38 111.92 3d4i h ARG 398 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3d4i h ARG 398 Cb 1.25 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 3d4i h ARG 398 CO 0.48 0.00 0.06 -1.54 -1.07 0.00 0.00 179.97 177.91 3d4i s SER 399 N -5.45 -0.30 -0.00 7.04 1.04 -1.26 -5.00 113.70 109.76 3d4i s SER 399 Ca 0.03 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3d4i s SER 399 Cb 0.09 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 3d4i s SER 399 CO 0.53 -1.05 -0.06 -0.76 0.98 0.00 0.00 173.24 172.89 3d4i s LEU 400 N -2.85 3.22 0.77 2.42 1.43 -1.26 -5.13 118.68 117.28 3d4i s LEU 400 Ca 0.08 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 3d4i s LEU 400 Cb -0.01 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.44 3d4i s LEU 400 CO -0.04 0.29 1.15 -2.16 0.23 0.00 0.00 176.35 175.82 3d4i s PRO 401 N -1.38 2.01 0.07 1.29 0.04 -1.26 -4.97 135.00 130.81 3d4i s PRO 401 Ca 0.17 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 3d4i s PRO 401 Cb -0.11 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 3d4i s PRO 401 CO 0.07 -1.88 1.25 0.50 0.04 0.00 0.00 177.00 176.98 3d4i s ARG 402 N -4.32 4.40 -0.28 4.56 3.52 -1.26 -5.00 118.95 120.57 3d4i s ARG 402 Ca 0.68 1.85 -0.00 0.00 -0.13 0.00 0.00 55.73 58.13 3d4i s ARG 402 Cb -0.23 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 29.88 3d4i s ARG 402 CO 0.50 -0.31 -0.04 1.03 -0.81 0.00 0.00 175.30 175.67 3d4i s ARG 403 N 1.09 2.39 0.00 5.12 0.52 -1.26 -4.98 118.95 121.83 3d4i s ARG 403 Ca 0.60 -1.28 0.30 0.00 -0.52 0.00 0.00 55.73 54.83 3d4i s ARG 403 Cb -0.31 -3.07 1.46 0.00 0.52 0.00 0.00 34.95 33.54 3d4i s ARG 403 CO 0.29 -0.59 2.02 -1.13 0.02 0.00 0.00 175.30 175.91 3d4i n SER 404 N 4.56 0.00 -0.21 0.23 3.41 -1.26 -1.54 113.62 118.81 3d4i n SER 404 Ca -0.14 -0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.56 3d4i n SER 404 Cb 0.43 -0.32 0.35 0.00 -0.26 0.00 0.00 64.21 64.42 3d4i n SER 404 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3d4i n ASN 405 N -1.32 0.96 0.00 4.04 5.15 -1.26 -5.04 115.26 117.78 3d4i n ASN 405 Ca 0.13 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.31 3d4i n ASN 405 Cb 0.25 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 3d4i n ASN 405 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d4i n GLY 406 N 1.36 3.41 0.43 8.20 0.00 -0.59 -4.79 105.19 113.21 3d4i n GLY 406 Ca 0.11 -1.57 0.24 0.00 0.00 0.00 0.00 46.02 44.79 3d4i n GLY 406 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3d4i h ILE 407 N 0.00 0.31 0.00 -0.61 3.07 -1.97 -2.05 117.51 116.25 3d4i h ILE 407 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 3d4i h ILE 407 Cb 0.00 0.50 -0.00 0.00 -0.27 0.00 0.00 36.82 37.04 3d4i h ILE 407 CO 0.00 0.00 -0.06 0.50 -1.05 0.00 0.00 178.15 177.54 3d4i h LYS 408 N 0.00 0.00 0.00 0.16 3.64 -1.94 -1.39 116.57 117.03 3d4i h LYS 408 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3d4i h LYS 408 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3d4i h LYS 408 CO -0.00 0.06 0.00 -0.44 -2.27 0.00 0.00 179.45 176.79 3d4i h ASP 409 N 0.00 0.00 -0.05 4.20 5.19 -1.67 -2.35 116.42 121.74 3d4i h ASP 409 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3d4i h ASP 409 Cb 0.40 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 3d4i h ASP 409 CO 0.01 0.00 0.05 -0.26 -3.12 0.00 0.00 179.24 175.91 3d4i h PHE 410 N 0.00 0.00 -0.38 4.55 0.04 -1.45 -2.28 116.94 117.42 3d4i h PHE 410 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3d4i h PHE 410 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3d4i h PHE 410 CO 0.00 0.00 0.15 0.93 -0.60 0.00 0.00 178.31 178.79 3d4i h GLU 411 N 0.00 0.57 0.00 1.51 5.08 -1.61 -1.80 114.58 118.33 3d4i h GLU 411 Ca 0.02 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3d4i h GLU 411 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3d4i h GLU 411 CO -0.00 0.55 -0.48 -0.91 -1.00 0.00 0.00 179.01 177.17 3d4i h ASN 412 N 0.47 0.00 -1.90 1.42 2.35 -1.71 -3.40 115.58 112.81 3d4i h ASN 412 Ca 0.13 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.34 3d4i h ASN 412 Cb 0.19 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.19 3d4i h ASN 412 CO -0.01 0.48 -1.07 -0.67 -1.65 0.00 0.00 177.43 174.51 3d4i n ASP 413 N -3.41 -0.05 -4.82 5.81 2.03 -0.87 -4.93 116.55 110.31 3d4i n ASP 413 Ca 0.01 -2.71 -0.32 0.00 0.52 0.00 0.00 54.79 52.29 3d4i n ASP 413 Cb 0.63 -0.49 0.02 0.00 -0.72 0.00 0.00 41.12 40.56 3d4i n ASP 413 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3d4i s PRO 414 N -1.01 3.32 0.69 -0.67 0.04 -0.71 -4.46 135.00 132.21 3d4i s PRO 414 Ca 0.35 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 3d4i s PRO 414 Cb 0.17 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.73 3d4i s PRO 414 CO -0.12 -0.79 0.99 -1.25 0.04 0.00 0.00 177.00 175.86 3d4i s PRO 415 N -4.55 2.19 0.56 0.56 0.04 -1.26 -3.38 135.00 129.15 3d4i s PRO 415 Ca 0.60 -0.37 -0.20 0.00 0.04 0.00 0.00 61.00 61.07 3d4i s PRO 415 Cb -0.14 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3d4i s PRO 415 CO 0.44 -1.20 1.23 -0.51 0.04 0.00 0.00 177.00 177.01 3d4i s LEU 416 N -5.19 3.76 0.86 -3.56 1.43 -1.26 -2.01 118.68 112.71 3d4i s LEU 416 Ca 0.60 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 56.04 3d4i s LEU 416 Cb -0.10 -4.47 0.11 0.00 0.03 0.00 0.00 46.19 41.76 3d4i s LEU 416 CO 0.44 -1.48 1.17 -0.94 0.23 0.00 0.00 176.35 175.77 3d4i s SER 417 N -1.42 4.01 0.25 2.29 1.04 -0.50 -4.59 113.70 114.79 3d4i s SER 417 Ca 0.74 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 3d4i s SER 417 Cb -0.32 -1.33 0.44 0.00 0.10 0.00 0.00 66.02 64.90 3d4i s SER 417 CO 0.36 -2.22 1.81 0.28 0.98 0.00 0.00 173.24 174.45 3d4i h SER 418 N -1.27 0.70 -0.76 7.02 0.02 -1.24 -1.25 113.55 116.76 3d4i h SER 418 Ca -0.48 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 3d4i h SER 418 Cb 1.33 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 3d4i h SER 418 CO 0.63 0.38 0.25 0.00 -1.14 0.00 0.00 176.83 176.95 3d4i h GLY 420 N 1.13 0.80 0.92 0.00 0.00 -1.50 -0.54 103.07 103.89 3d4i h GLY 420 Ca 0.25 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3d4i h GLY 420 CO -0.01 0.37 -0.10 -2.22 0.00 0.00 0.00 176.54 174.58 3d4i h ILE 421 N 0.75 1.28 -0.38 2.60 2.04 -0.86 -2.09 117.51 120.85 3d4i h ILE 421 Ca 0.18 -1.17 0.07 0.00 1.00 0.00 0.00 64.86 64.94 3d4i h ILE 421 Cb 0.13 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3d4i h ILE 421 CO -0.02 0.38 0.03 0.15 0.00 0.00 0.00 178.15 178.69 3d4i h PHE 422 N 0.42 0.03 -0.31 1.37 3.57 -0.62 -0.87 116.94 120.53 3d4i h PHE 422 Ca 0.08 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3d4i h PHE 422 Cb 0.61 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3d4i h PHE 422 CO 0.05 -0.04 0.17 1.96 -2.23 0.00 0.00 178.31 178.22 3d4i h GLN 423 N 0.14 0.35 -0.22 1.11 4.20 -1.05 0.13 115.11 119.77 3d4i h GLN 423 Ca 0.19 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3d4i h GLN 423 Cb 0.25 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3d4i h GLN 423 CO -0.29 0.23 0.13 0.00 -0.67 0.00 0.00 178.83 178.23 3d4i h ALA 424 N 1.14 0.28 -0.66 3.87 0.00 -1.19 -1.21 119.26 121.50 3d4i h ALA 424 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3d4i h ALA 424 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3d4i h ALA 424 CO -0.06 -0.20 0.32 0.00 0.00 0.00 0.00 179.25 179.31 3d4i h ARG 425 N 0.26 0.94 -0.64 0.00 3.08 -0.90 -1.44 114.38 115.69 3d4i h ARG 425 Ca 0.08 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3d4i h ARG 425 Cb 0.04 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 3d4i h ARG 425 CO -0.01 0.75 0.36 1.25 -1.07 0.00 0.00 179.97 181.24 3d4i h LEU 426 N 0.91 0.54 -0.76 3.04 5.85 -0.59 -0.54 115.31 123.76 3d4i h LEU 426 Ca 0.23 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3d4i h LEU 426 Cb 0.11 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3d4i h LEU 426 CO -0.03 0.36 0.37 0.00 -0.34 0.00 0.00 178.44 178.80 3d4i h ALA 427 N 1.32 0.98 -0.49 1.25 0.00 -0.94 -1.24 119.26 120.14 3d4i h ALA 427 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3d4i h ALA 427 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d4i h ALA 427 CO -0.16 0.54 0.13 0.78 0.00 0.00 0.00 179.25 180.54 3d4i h GLY 428 N 1.07 0.84 1.01 0.00 0.00 -0.84 -0.37 103.07 104.78 3d4i h GLY 428 Ca 0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3d4i h GLY 428 CO -0.03 0.48 0.41 -2.09 0.00 0.00 0.00 176.54 175.30 3d4i h GLU 429 N 0.67 1.02 -0.59 4.80 4.81 -0.96 0.16 114.58 124.48 3d4i h GLU 429 Ca 0.16 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3d4i h GLU 429 Cb 0.31 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3d4i h GLU 429 CO -0.00 0.76 0.27 0.00 -0.73 0.00 0.00 179.01 179.31 3d4i h ALA 430 N 1.21 0.77 -0.88 2.92 0.00 -0.99 -0.73 119.26 121.55 3d4i h ALA 430 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3d4i h ALA 430 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3d4i h ALA 430 CO -0.04 0.35 0.49 -0.07 0.00 0.00 0.00 179.25 179.98 3d4i h LEU 431 N 0.81 1.10 0.09 0.00 3.38 -0.56 -0.20 115.31 119.92 3d4i h LEU 431 Ca 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3d4i h LEU 431 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3d4i h LEU 431 CO -0.02 0.87 -0.04 0.25 0.09 0.00 0.00 178.44 179.59 3d4i h LEU 432 N 1.24 -0.10 -1.93 1.67 5.85 -0.70 -2.92 115.31 118.41 3d4i h LEU 432 Ca 0.31 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.01 3d4i h LEU 432 Cb 0.01 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3d4i h LEU 432 CO -0.05 -0.04 0.06 0.44 -0.34 0.00 0.00 178.44 178.51 3d4i h ASP 433 N -0.15 0.08 0.83 1.25 3.32 -0.76 -2.66 116.42 118.33 3d4i h ASP 433 Ca -0.01 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3d4i h ASP 433 Cb 0.12 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3d4i h ASP 433 CO 0.02 0.06 -0.23 0.77 -1.72 0.00 0.00 179.24 178.14 3d4i h SER 434 N 0.09 0.00 0.00 6.45 4.64 -0.84 -3.47 113.55 120.42 3d4i h SER 434 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3d4i h SER 434 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3d4i h SER 434 CO -0.01 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3d4i n GLY 435 N 0.03 0.74 3.76 -0.77 0.00 -1.00 -5.04 105.19 102.91 3d4i n GLY 435 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3d4i n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d4i s VAL 436 N -2.76 2.91 -0.36 1.61 -7.23 -1.26 -4.99 120.40 108.33 3d4i s VAL 436 Ca 0.00 0.59 -0.18 0.00 -1.81 0.00 0.00 61.98 60.58 3d4i s VAL 436 Cb 0.00 -3.25 -0.00 0.00 0.56 0.00 0.00 36.38 33.69 3d4i s VAL 436 CO 0.00 -0.10 0.50 -0.60 -0.31 0.00 0.00 175.10 174.59 3d4i s ARG 437 N -3.19 3.55 -0.21 4.82 3.52 -1.26 -4.94 118.95 121.24 3d4i s ARG 437 Ca 0.73 -0.24 -0.18 0.00 -0.13 0.00 0.00 55.73 55.91 3d4i s ARG 437 Cb -0.28 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.25 3d4i s ARG 437 CO 0.31 -0.67 0.48 0.08 -0.81 0.00 0.00 175.30 174.69 3d4i s VAL 438 N 2.37 5.13 -0.06 7.11 1.01 -1.26 0.01 120.40 134.71 3d4i s VAL 438 Ca 0.18 0.87 0.06 0.00 0.00 0.00 0.00 61.98 63.09 3d4i s VAL 438 Cb -0.16 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3d4i s VAL 438 CO 0.14 0.18 0.04 0.41 0.00 0.00 0.00 175.10 175.87 3d4i n THR 439 N 4.58 0.40 -3.54 3.92 -1.04 -0.27 -4.90 114.28 113.44 3d4i n THR 439 Ca -0.06 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 3d4i n THR 439 Cb 0.50 -0.65 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 3d4i n THR 439 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d4i s ALA 440 N -2.22 -1.46 -0.03 2.41 0.00 -1.23 -5.04 121.76 114.20 3d4i s ALA 440 Ca -0.03 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3d4i s ALA 440 Cb 0.02 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.55 3d4i s ALA 440 CO 0.28 -0.52 -0.03 0.54 0.00 0.00 0.00 175.76 176.03 3d4i s VAL 441 N -2.41 0.37 0.08 0.00 0.11 -1.26 -1.37 120.40 115.92 3d4i s VAL 441 Ca -0.05 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.02 3d4i s VAL 441 Cb -0.01 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 3d4i s VAL 441 CO -0.01 0.17 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.41 3d4i s PHE 442 N 0.78 2.60 0.01 1.54 0.40 -0.13 -0.99 117.98 122.18 3d4i s PHE 442 Ca -0.09 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3d4i s PHE 442 Cb -0.12 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 3d4i s PHE 442 CO -0.01 0.34 -0.03 0.00 0.70 0.00 0.00 175.22 176.22 3d4i s ALA 443 N -1.06 0.22 0.55 5.36 0.00 -0.31 -0.53 121.76 125.98 3d4i s ALA 443 Ca 0.17 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 3d4i s ALA 443 Cb -0.11 -0.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 3d4i s ALA 443 CO 0.09 0.00 0.89 0.45 0.00 0.00 0.00 175.76 177.19 3d4i n SER 444 N 2.58 0.54 0.00 0.00 2.88 -0.28 -0.93 113.62 118.41 3d4i n SER 444 Ca -0.16 0.85 0.07 0.00 -1.33 0.00 0.00 58.87 58.31 3d4i n SER 444 Cb 0.58 -1.34 0.34 0.00 -0.75 0.00 0.00 64.21 63.04 3d4i n SER 444 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d4i n PRO 445 N -0.52 0.06 -1.78 -1.46 -0.04 -1.26 -3.86 135.00 126.14 3d4i n PRO 445 Ca 0.12 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.38 3d4i n PRO 445 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3d4i n PRO 445 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4i s ALA 446 N -2.88 3.66 0.22 0.55 0.00 -1.26 -4.64 121.76 117.41 3d4i s ALA 446 Ca 0.09 1.59 -0.08 0.00 0.00 0.00 0.00 51.96 53.56 3d4i s ALA 446 Cb 0.10 -3.63 0.33 0.00 0.00 0.00 0.00 23.12 19.92 3d4i s ALA 446 CO 0.26 -1.04 1.75 1.25 0.00 0.00 0.00 175.76 177.99 3d4i h LEU 447 N 3.87 0.28 -1.77 0.00 5.85 -1.84 -0.55 115.31 121.15 3d4i h LEU 447 Ca -0.49 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.43 3d4i h LEU 447 Cb 1.23 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 3d4i h LEU 447 CO 0.71 0.15 0.38 0.08 -0.34 0.00 0.00 178.44 179.43 3d4i h ARG 448 N 0.46 0.25 0.08 1.25 0.11 -1.89 0.89 114.38 115.52 3d4i h ARG 448 Ca 0.34 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 60.27 3d4i h ARG 448 Cb 0.43 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.46 3d4i h ARG 448 CO -0.32 0.16 -0.66 0.00 0.10 0.00 0.00 179.97 179.26 3d4i h VAL 450 N -0.64 1.21 -0.32 0.00 2.07 -0.98 -0.62 116.25 116.97 3d4i h VAL 450 Ca -0.13 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.84 3d4i h VAL 450 Cb 1.41 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3d4i h VAL 450 CO 0.05 0.20 -0.45 1.56 0.02 0.00 0.00 177.57 178.96 3d4i h GLN 451 N 1.12 0.82 -0.53 1.57 4.20 -0.91 -0.98 115.11 120.40 3d4i h GLN 451 Ca 0.30 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3d4i h GLN 451 Cb -0.13 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3d4i h GLN 451 CO -0.07 1.10 0.32 1.15 -0.67 0.00 0.00 178.83 180.66 3d4i h THR 452 N 0.66 1.16 -0.17 -0.54 2.02 -0.92 -1.68 112.91 113.44 3d4i h THR 452 Ca 0.04 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3d4i h THR 452 Cb 1.03 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3d4i h THR 452 CO 0.10 0.16 0.11 0.00 0.37 0.00 0.00 175.52 176.26 3d4i h ALA 453 N 1.16 0.22 -0.42 6.16 0.00 -0.88 -1.73 119.26 123.76 3d4i h ALA 453 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3d4i h ALA 453 Cb -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3d4i h ALA 453 CO -0.04 -0.31 0.20 -0.22 0.00 0.00 0.00 179.25 178.88 3d4i h LYS 454 N 0.22 0.39 -0.22 0.00 3.64 -0.94 -1.13 116.57 118.52 3d4i h LYS 454 Ca 0.07 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3d4i h LYS 454 Cb -0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3d4i h LYS 454 CO -0.02 0.26 -0.36 0.45 -2.27 0.00 0.00 179.45 177.50 3d4i h HIS 455 N 0.40 0.56 0.02 1.91 3.86 -1.15 -0.72 115.15 120.02 3d4i h HIS 455 Ca 0.19 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3d4i h HIS 455 Cb 0.11 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3d4i h HIS 455 CO -0.11 0.78 -0.01 0.82 0.86 0.00 0.00 177.93 180.27 3d4i h ILE 456 N 0.41 1.01 -0.92 2.45 2.04 -1.12 -2.91 117.51 118.48 3d4i h ILE 456 Ca 0.04 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3d4i h ILE 456 Cb 0.83 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3d4i h ILE 456 CO 0.07 0.02 0.60 -0.07 0.00 0.00 0.00 178.15 178.77 3d4i h LEU 457 N -0.06 0.98 -0.73 1.44 3.38 -0.94 -1.31 115.31 118.07 3d4i h LEU 457 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d4i h LEU 457 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3d4i h LEU 457 CO 0.00 0.66 0.44 -0.33 0.09 0.00 0.00 178.44 179.31 3d4i h GLU 458 N 1.13 0.99 0.00 1.13 5.08 -1.01 -0.21 114.58 121.68 3d4i h GLU 458 Ca 0.37 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3d4i h GLU 458 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3d4i h GLU 458 CO -0.12 0.70 -0.47 0.93 -1.00 0.00 0.00 179.01 179.05 3d4i h GLU 459 N 1.00 0.00 0.00 2.33 4.39 -1.31 -2.17 114.58 118.82 3d4i h GLU 459 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3d4i h GLU 459 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3d4i h GLU 459 CO -0.05 0.37 0.00 1.28 -1.16 0.00 0.00 179.01 179.45 3d4i n LEU 460 N -3.16 0.41 -2.96 1.33 4.77 -0.51 -4.36 117.00 112.52 3d4i n LEU 460 Ca 0.02 0.59 -0.22 0.00 -0.03 0.00 0.00 56.01 56.36 3d4i n LEU 460 Cb 0.69 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3d4i n LEU 460 CO 0.39 -0.37 -0.03 0.29 -1.33 0.00 0.00 177.39 176.34 3d4i n LYS 461 N -1.94 -4.56 -0.08 3.23 5.02 -0.50 -4.90 118.16 114.42 3d4i n LYS 461 Ca 0.03 0.92 0.03 0.00 -2.02 0.00 0.00 58.31 57.28 3d4i n LYS 461 Cb 0.24 -5.77 0.07 0.00 -0.02 0.00 0.00 35.03 29.55 3d4i n LYS 461 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d4i n LEU 462 N -3.93 2.41 0.25 -0.35 4.77 -0.21 -4.73 117.00 115.21 3d4i n LEU 462 Ca -0.13 -2.14 0.14 0.00 -0.03 0.00 0.00 56.01 53.84 3d4i n LEU 462 Cb 0.63 -0.14 0.61 0.00 -2.33 0.00 0.00 43.42 42.19 3d4i n LEU 462 CO 0.46 0.60 0.91 1.05 -1.33 0.00 0.00 177.39 179.08 3d4i h GLU 463 N 0.72 0.00 0.09 3.23 9.09 -1.82 0.38 114.58 126.27 3d4i h GLU 463 Ca 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.09 3d4i h GLU 463 Cb 0.66 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.74 3d4i h GLU 463 CO 0.01 0.11 -1.73 0.87 0.05 0.00 0.00 179.01 178.33 3d4i h LYS 464 N 0.00 0.18 0.02 1.06 1.57 -1.91 -3.39 116.57 114.09 3d4i h LYS 464 Ca -0.00 -0.32 -0.26 0.00 -1.87 0.00 0.00 60.65 58.21 3d4i h LYS 464 Cb 0.58 0.12 0.02 0.00 0.08 0.00 0.00 32.23 33.03 3d4i h LYS 464 CO 0.01 0.98 -1.01 -0.22 -0.57 0.00 0.00 179.45 178.64 3d4i h LYS 465 N 0.05 0.66 -5.26 3.15 3.64 -1.79 -3.45 116.57 113.57 3d4i h LYS 465 Ca -0.31 -0.73 -0.65 0.00 -1.27 0.00 0.00 60.65 57.69 3d4i h LYS 465 Cb 2.02 0.21 -0.24 0.00 -0.41 0.00 0.00 32.23 33.81 3d4i h LYS 465 CO 0.12 1.31 -0.71 -0.51 -2.27 0.00 0.00 179.45 177.39 3d4i s LEU 466 N -8.11 3.02 0.08 5.20 1.43 0.09 -5.11 118.68 115.28 3d4i s LEU 466 Ca -0.10 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.56 3d4i s LEU 466 Cb 0.06 -1.72 -0.07 0.00 0.03 0.00 0.00 46.19 44.50 3d4i s LEU 466 CO 0.91 0.14 0.59 -0.54 0.23 0.00 0.00 176.35 177.69 3d4i s LYS 467 N 0.51 4.25 -0.08 1.70 1.02 -1.26 -4.71 119.74 121.17 3d4i s LYS 467 Ca -0.05 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 56.43 3d4i s LYS 467 Cb -0.15 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3d4i s LYS 467 CO 0.03 0.62 1.42 0.42 -0.92 0.00 0.00 175.35 176.92 3d4i s ILE 468 N -1.07 3.90 -0.43 2.17 1.01 -0.01 -4.47 121.20 122.31 3d4i s ILE 468 Ca 0.30 1.16 -0.18 0.00 0.00 0.00 0.00 60.65 61.93 3d4i s ILE 468 Cb -0.20 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.55 3d4i s ILE 468 CO 0.20 -0.07 0.51 -0.13 0.00 0.00 0.00 174.94 175.45 3d4i s ARG 469 N 3.29 3.14 -0.22 2.79 0.52 -0.16 -0.16 118.95 128.16 3d4i s ARG 469 Ca 0.63 -0.67 -0.25 0.00 -0.52 0.00 0.00 55.73 54.92 3d4i s ARG 469 Cb -0.28 -3.97 -0.01 0.00 0.52 0.00 0.00 34.95 31.21 3d4i s ARG 469 CO 0.23 -0.92 0.86 0.08 0.02 0.00 0.00 175.30 175.56 3d4i s VAL 470 N 2.35 4.83 -0.36 3.52 1.01 -1.26 -1.17 120.40 129.32 3d4i s VAL 470 Ca 0.15 1.65 0.02 0.00 0.00 0.00 0.00 61.98 63.80 3d4i s VAL 470 Cb -0.16 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.18 3d4i s VAL 470 CO 0.15 -0.05 0.13 -0.70 0.00 0.00 0.00 175.10 174.62 3d4i s GLU 471 N 2.66 1.18 0.63 2.72 2.56 -0.11 -4.73 118.70 123.61 3d4i s GLU 471 Ca 0.37 -1.65 0.33 0.00 0.00 0.00 0.00 54.97 54.02 3d4i s GLU 471 Cb -0.16 -2.56 1.87 0.00 2.00 0.00 0.00 34.13 35.29 3d4i s GLU 471 CO 0.09 -1.02 2.15 -1.35 -0.56 0.00 0.00 175.26 174.57 3d4i h PRO 472 N 7.52 0.00 0.00 4.30 0.11 -1.83 -1.83 132.00 140.27 3d4i h PRO 472 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3d4i h PRO 472 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3d4i h PRO 472 CO 0.51 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.08 3d4i h GLY 473 N 0.00 0.00 -1.32 -0.55 0.00 -1.92 -2.03 103.07 97.25 3d4i h GLY 473 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3d4i h GLY 473 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3d4i n ILE 474 N -2.43 2.09 -0.86 2.60 -5.35 -0.69 -4.06 119.36 110.67 3d4i n ILE 474 Ca -0.01 -1.84 -0.30 0.00 -0.27 0.00 0.00 62.75 60.33 3d4i n ILE 474 Cb 0.10 -0.17 0.17 0.00 -1.74 0.00 0.00 39.64 38.00 3d4i n ILE 474 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3d4i s PHE 475 N -2.63 1.86 0.89 4.28 5.36 -0.76 -4.58 117.98 122.40 3d4i s PHE 475 Ca 0.38 1.50 -0.12 0.00 -0.96 0.00 0.00 56.93 57.73 3d4i s PHE 475 Cb 0.31 -3.20 0.08 0.00 -0.34 0.00 0.00 43.02 39.86 3d4i s PHE 475 CO 0.08 -2.81 0.85 -1.91 -1.46 0.00 0.00 175.22 169.98 3d4i n GLU 476 N -4.20 -0.22 -1.93 10.12 4.07 -1.26 -4.92 120.64 122.30 3d4i n GLU 476 Ca 0.08 -0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 3d4i n GLU 476 Cb 0.53 -2.16 -0.03 0.00 -0.06 0.00 0.00 31.44 29.72 3d4i n GLU 476 CO 0.00 0.00 0.00 -0.46 -0.06 0.00 0.00 177.13 176.61 3d4i s TRP 477 N -2.40 2.27 0.52 4.31 -0.00 -1.26 -4.89 118.94 117.49 3d4i s TRP 477 Ca 0.64 0.25 0.18 0.00 -0.00 0.00 0.00 56.10 57.18 3d4i s TRP 477 Cb -0.24 -3.97 1.29 0.00 -0.00 0.00 0.00 33.47 30.55 3d4i s TRP 477 CO 0.60 -3.95 2.10 0.52 -0.00 0.00 0.00 176.95 176.22 3d4i h MET 478 N 8.69 0.02 -0.81 5.86 2.86 -1.86 -0.87 114.93 128.82 3d4i h MET 478 Ca -0.42 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.36 3d4i h MET 478 Cb 1.20 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 3d4i h MET 478 CO 0.93 0.01 0.53 -0.22 1.06 0.00 0.00 176.91 179.23 3d4i h LYS 479 N 0.02 0.51 -0.00 1.72 3.11 -1.79 -1.72 116.57 118.41 3d4i h LYS 479 Ca 0.07 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 3d4i h LYS 479 Cb 0.27 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 3d4i h LYS 479 CO -0.00 0.33 -0.24 0.91 -2.81 0.00 0.00 179.45 177.65 3d4i n TRP 480 N -4.51 0.00 -3.05 1.91 8.01 -0.33 -4.58 117.44 114.89 3d4i n TRP 480 Ca 0.16 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.90 3d4i n TRP 480 Cb 0.51 -0.24 -0.04 0.00 -2.01 0.00 0.00 31.31 29.53 3d4i n TRP 480 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3d4i s GLU 481 N -2.71 3.11 0.52 -0.99 0.41 -0.65 -4.89 118.70 113.51 3d4i s GLU 481 Ca 0.21 -1.28 0.24 0.00 -0.41 0.00 0.00 54.97 53.73 3d4i s GLU 481 Cb 0.19 -4.31 1.35 0.00 -1.78 0.00 0.00 34.13 29.59 3d4i s GLU 481 CO 0.56 -1.61 1.98 0.00 -0.49 0.00 0.00 175.26 175.70 3d4i h ALA 482 N 9.21 2.46 0.00 5.21 0.00 -1.82 0.41 119.26 134.72 3d4i h ALA 482 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d4i h ALA 482 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d4i h ALA 482 CO 1.11 -0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.40 3d4i h SER 483 N 0.06 0.00 -0.39 0.00 4.64 -1.91 -3.43 113.55 112.51 3d4i h SER 483 Ca 0.27 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.71 3d4i h SER 483 Cb 1.01 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.03 3d4i h SER 483 CO -0.02 0.00 0.04 2.29 -0.87 0.00 0.00 176.83 178.28 3d4i n LYS 484 N -2.71 -0.03 0.04 4.77 2.85 0.13 -0.35 118.16 122.87 3d4i n LYS 484 Ca 0.03 0.58 0.02 0.00 -1.05 0.00 0.00 58.31 57.88 3d4i n LYS 484 Cb 0.35 -0.94 0.37 0.00 -0.65 0.00 0.00 35.03 34.15 3d4i n LYS 484 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3d4i h ALA 485 N 0.79 1.51 -0.06 0.58 0.00 -1.86 -3.19 119.26 117.03 3d4i h ALA 485 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d4i h ALA 485 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3d4i h ALA 485 CO -0.36 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3d4i n THR 486 N -4.33 0.43 -1.91 0.00 -2.24 0.53 -5.03 114.28 101.72 3d4i n THR 486 Ca 0.01 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.66 3d4i n THR 486 Cb 0.20 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 3d4i n THR 486 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3d4i s LEU 487 N -0.62 4.37 -0.07 3.22 0.20 -1.07 -5.02 118.68 119.69 3d4i s LEU 487 Ca 0.06 2.62 -0.01 0.00 0.69 0.00 0.00 54.13 57.49 3d4i s LEU 487 Cb 0.04 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.24 3d4i s LEU 487 CO 0.05 -0.85 0.00 -0.89 -0.29 0.00 0.00 176.35 174.37 3d4i s THR 488 N 1.49 0.35 0.60 3.68 2.01 -1.26 -5.03 115.64 117.48 3d4i s THR 488 Ca 0.72 0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.73 3d4i s THR 488 Cb -0.44 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3d4i s THR 488 CO 0.32 0.25 1.00 -0.36 -0.69 0.00 0.00 174.62 175.13 3d4i s PHE 489 N 1.87 3.62 0.32 4.92 0.08 -1.26 -4.84 117.98 122.70 3d4i s PHE 489 Ca 0.03 1.22 -0.29 0.00 0.12 0.00 0.00 56.93 58.02 3d4i s PHE 489 Cb -0.12 -2.66 -0.11 0.00 -0.57 0.00 0.00 43.02 39.56 3d4i s PHE 489 CO -0.05 -0.64 1.45 -0.51 -0.10 0.00 0.00 175.22 175.38 3d4i s LEU 490 N -5.12 4.36 0.80 -0.37 1.43 -1.26 -5.02 118.68 113.50 3d4i s LEU 490 Ca 0.54 2.87 -0.11 0.00 -1.03 0.00 0.00 54.13 56.39 3d4i s LEU 490 Cb -0.11 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.53 3d4i s LEU 490 CO 0.53 -0.76 1.09 0.42 0.23 0.00 0.00 176.35 177.86 3d4i s THR 491 N -0.70 3.10 0.22 5.49 -4.23 -1.26 -4.82 115.64 113.44 3d4i s THR 491 Ca 0.55 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.35 3d4i s THR 491 Cb -0.44 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.50 3d4i s THR 491 CO 0.54 -0.47 1.77 -0.07 -0.54 0.00 0.00 174.62 175.85 3d4i h LEU 492 N -1.10 0.40 -1.01 4.79 3.38 -1.99 0.05 115.31 119.84 3d4i h LEU 492 Ca -0.47 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3d4i h LEU 492 Cb 1.26 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 3d4i h LEU 492 CO 0.59 0.23 0.55 -0.33 0.09 0.00 0.00 178.44 179.56 3d4i h GLU 493 N 0.55 1.24 -0.55 1.13 3.07 -1.99 0.20 114.58 118.23 3d4i h GLU 493 Ca 0.35 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 3d4i h GLU 493 Cb 0.40 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3d4i h GLU 493 CO -0.29 0.86 0.16 0.93 -1.40 0.00 0.00 179.01 179.28 3d4i h GLU 494 N 1.26 0.87 -0.25 2.33 5.08 -1.78 -1.64 114.58 120.45 3d4i h GLU 494 Ca 0.33 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3d4i h GLU 494 Cb -0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3d4i h GLU 494 CO -0.06 0.80 0.14 -0.07 -1.00 0.00 0.00 179.01 178.81 3d4i h LEU 495 N 0.78 0.22 -1.03 1.33 3.38 -0.37 -1.94 115.31 117.68 3d4i h LEU 495 Ca 0.18 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3d4i h LEU 495 Cb 0.30 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3d4i h LEU 495 CO -0.00 0.16 0.65 0.11 0.09 0.00 0.00 178.44 179.45 3d4i h LYS 496 N 0.29 1.15 0.00 1.13 1.79 -0.53 -1.16 116.57 119.24 3d4i h LYS 496 Ca 0.10 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3d4i h LYS 496 Cb 0.00 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.39 3d4i h LYS 496 CO -0.05 0.76 -0.15 0.93 -1.08 0.00 0.00 179.45 179.86 3d4i h GLU 497 N 1.19 0.00 -0.67 3.15 5.08 -0.99 -2.19 114.58 120.14 3d4i h GLU 497 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3d4i h GLU 497 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3d4i h GLU 497 CO -0.16 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3d4i n ALA 498 N -2.28 3.39 -2.73 3.43 0.00 -0.54 -4.92 120.51 116.87 3d4i n ALA 498 Ca -0.01 -1.36 -0.19 0.00 0.00 0.00 0.00 53.44 51.87 3d4i n ALA 498 Cb 0.28 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.68 3d4i n ALA 498 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d4i n ASN 499 N 0.55 -5.54 -4.74 0.00 5.15 -0.82 -5.02 115.26 104.83 3d4i n ASN 499 Ca 0.20 -0.17 -0.38 0.00 -0.60 0.00 0.00 54.58 53.63 3d4i n ASN 499 Cb 0.89 -4.45 -0.06 0.00 -0.53 0.00 0.00 39.78 35.64 3d4i n ASN 499 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d4i s PHE 500 N -3.05 3.55 -1.29 1.20 0.08 -0.62 -5.00 117.98 112.85 3d4i s PHE 500 Ca 0.18 0.87 -0.09 0.00 0.12 0.00 0.00 56.93 58.01 3d4i s PHE 500 Cb -0.08 -2.47 0.16 0.00 -0.57 0.00 0.00 43.02 40.06 3d4i s PHE 500 CO 0.22 0.27 1.95 -1.71 -0.10 0.00 0.00 175.22 175.85 3d4i n ASN 501 N 3.29 5.49 -4.84 1.36 5.15 -1.26 -3.87 115.26 120.59 3d4i n ASN 501 Ca -0.09 -3.12 -0.33 0.00 -0.60 0.00 0.00 54.58 50.45 3d4i n ASN 501 Cb 0.52 -1.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.24 3d4i n ASN 501 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d4i s VAL 502 N 0.16 4.58 -0.77 3.44 -7.23 -1.26 -0.83 120.40 118.49 3d4i s VAL 502 Ca 0.41 1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 61.47 3d4i s VAL 502 Cb 0.11 -3.61 0.05 0.00 0.56 0.00 0.00 36.38 33.49 3d4i s VAL 502 CO -0.01 -0.22 1.21 -0.62 -0.31 0.00 0.00 175.10 175.15 3d4i s ASP 503 N -2.23 6.24 0.35 4.85 -1.08 0.77 -4.75 116.67 120.83 3d4i s ASP 503 Ca 0.57 -0.84 0.26 0.00 -0.52 0.00 0.00 52.55 52.02 3d4i s ASP 503 Cb -0.10 -2.52 1.20 0.00 -1.46 0.00 0.00 42.92 40.05 3d4i s ASP 503 CO 0.16 -1.64 1.80 -0.07 0.52 0.00 0.00 175.17 175.94 3d4i h LEU 504 N 12.40 0.00 -1.62 -1.34 3.38 -1.94 -2.77 115.31 123.42 3d4i h LEU 504 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3d4i h LEU 504 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3d4i h LEU 504 CO 1.27 0.00 -0.13 0.47 0.09 0.00 0.00 178.44 180.14 3d4i n ASP 505 N -2.46 2.61 -4.71 -0.43 8.00 -1.26 -4.97 116.55 113.34 3d4i n ASP 505 Ca 0.01 -1.81 -0.42 0.00 0.71 0.00 0.00 54.79 53.28 3d4i n ASP 505 Cb 0.19 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3d4i n ASP 505 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3d4i s TYR 506 N -2.01 3.35 -0.45 1.24 5.04 -1.05 -5.01 117.35 118.47 3d4i s TYR 506 Ca 0.24 1.23 -0.16 0.00 -2.44 0.00 0.00 57.07 55.94 3d4i s TYR 506 Cb 0.18 -3.46 0.05 0.00 0.35 0.00 0.00 41.96 39.08 3d4i s TYR 506 CO 0.35 -1.46 0.37 1.03 -1.34 0.00 0.00 175.55 174.50 3d4i s ARG 507 N 1.29 2.99 0.68 4.97 1.81 -1.26 -5.00 118.95 124.43 3d4i s ARG 507 Ca 0.59 -1.14 -0.14 0.00 -1.72 0.00 0.00 55.73 53.32 3d4i s ARG 507 Cb -0.30 -4.06 0.01 0.00 -0.45 0.00 0.00 34.95 30.16 3d4i s ARG 507 CO 0.28 -0.91 1.12 -1.25 -0.68 0.00 0.00 175.30 173.86 3d4i s PRO 508 N 1.75 2.62 0.29 3.54 0.04 -1.26 -4.91 135.00 137.08 3d4i s PRO 508 Ca 0.06 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 3d4i s PRO 508 Cb -0.21 -1.93 0.44 0.00 0.04 0.00 0.00 34.50 32.84 3d4i s PRO 508 CO 0.09 -1.39 1.85 0.00 0.04 0.00 0.00 177.00 177.58 3d4i h ALA 509 N -0.17 1.26 -3.26 8.56 0.00 -1.92 -3.39 119.26 120.34 3d4i h ALA 509 Ca -0.46 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 53.76 3d4i h ALA 509 Cb 1.25 -0.22 -0.38 0.00 0.00 0.00 0.00 17.79 18.44 3d4i h ALA 509 CO 0.53 0.52 -0.78 -1.17 0.00 0.00 0.00 179.25 178.35 3d4i s LEU 510 N -9.36 1.08 0.65 0.00 2.96 -1.26 -4.97 118.68 107.78 3d4i s LEU 510 Ca -0.10 -0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 3d4i s LEU 510 Cb 0.16 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 3d4i s LEU 510 CO 0.79 -0.20 1.11 -2.16 -1.32 0.00 0.00 176.35 174.57 3d4i s PRO 511 N 1.81 2.86 0.46 0.98 0.04 -1.26 -3.77 135.00 136.12 3d4i s PRO 511 Ca 0.03 1.38 0.21 0.00 0.04 0.00 0.00 61.00 62.65 3d4i s PRO 511 Cb -0.14 -1.96 1.12 0.00 0.04 0.00 0.00 34.50 33.57 3d4i s PRO 511 CO -0.07 -1.20 1.97 0.07 0.04 0.00 0.00 177.00 177.81 3d4i h ARG 512 N 0.09 0.00 0.00 4.56 0.11 -1.98 -0.65 114.38 116.51 3d4i h ARG 512 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 3d4i h ARG 512 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3d4i h ARG 512 CO 0.54 0.21 0.00 0.00 0.10 0.00 0.00 179.97 180.82 3d4i n SER 514 N -2.53 0.96 -4.71 0.00 7.64 -0.25 -4.89 113.62 109.84 3d4i n SER 514 Ca 0.01 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.68 3d4i n SER 514 Cb 0.20 0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 3d4i n SER 514 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d4i s LEU 515 N -2.87 4.37 -0.33 -3.43 1.43 -1.16 -5.02 118.68 111.68 3d4i s LEU 515 Ca 0.12 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 3d4i s LEU 515 Cb 0.17 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 3d4i s LEU 515 CO 0.73 -0.72 0.18 -0.04 0.23 0.00 0.00 176.35 176.73 3d4i s MET 516 N 1.29 3.31 0.33 1.70 -1.94 -1.26 -4.97 119.30 117.76 3d4i s MET 516 Ca 0.67 -0.75 0.10 0.00 -1.71 0.00 0.00 55.69 53.99 3d4i s MET 516 Cb -0.39 -3.65 0.97 0.00 2.01 0.00 0.00 34.83 33.78 3d4i s MET 516 CO 0.30 -0.46 1.61 -1.35 -0.01 0.00 0.00 175.02 175.11 3d4i h PRO 517 N 8.40 0.12 -0.04 2.03 0.11 -1.95 0.25 132.00 140.91 3d4i h PRO 517 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3d4i h PRO 517 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3d4i h PRO 517 CO 0.63 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 3d4i n ALA 518 N -2.61 2.50 -1.73 -0.75 0.00 -1.26 -4.35 120.51 112.31 3d4i n ALA 518 Ca 0.28 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3d4i n ALA 518 Cb 0.93 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 3d4i n ALA 518 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3d4i n GLU 519 N -0.38 2.67 -1.91 0.00 0.28 0.07 -4.98 120.64 116.40 3d4i n GLU 519 Ca 0.02 0.95 -0.29 0.00 -0.16 0.00 0.00 57.16 57.68 3d4i n GLU 519 Cb 0.04 -2.76 0.08 0.00 1.43 0.00 0.00 31.44 30.24 3d4i n GLU 519 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3d4i s SER 520 N 0.76 4.66 0.22 -1.84 1.04 -1.26 -4.51 113.70 112.77 3d4i s SER 520 Ca 0.69 0.83 -0.08 0.00 0.48 0.00 0.00 55.95 57.86 3d4i s SER 520 Cb -0.52 -1.37 0.26 0.00 0.10 0.00 0.00 66.02 64.49 3d4i s SER 520 CO 0.42 -1.81 1.82 0.22 0.98 0.00 0.00 173.24 174.87 3d4i h TYR 521 N -0.98 0.76 -0.66 5.02 3.20 -1.98 0.36 116.97 122.68 3d4i h TYR 521 Ca -0.46 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.40 3d4i h TYR 521 Cb 1.32 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 3d4i h TYR 521 CO 0.34 0.37 0.28 -0.44 -1.64 0.00 0.00 178.16 177.08 3d4i h ASP 522 N 0.76 0.89 -0.07 -2.11 3.32 -1.99 0.48 116.42 117.70 3d4i h ASP 522 Ca 0.31 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3d4i h ASP 522 Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3d4i h ASP 522 CO -0.18 0.80 -0.38 1.56 -1.72 0.00 0.00 179.24 179.33 3d4i h GLN 523 N 0.92 0.58 0.30 3.56 4.20 -1.72 -1.68 115.11 121.27 3d4i h GLN 523 Ca 0.22 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3d4i h GLN 523 Cb 0.17 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3d4i h GLN 523 CO -0.02 0.87 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.94 3d4i h TYR 524 N 0.48 -0.37 -0.36 2.96 3.20 0.14 -1.74 116.97 121.28 3d4i h TYR 524 Ca 0.05 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3d4i h TYR 524 Cb 0.88 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3d4i h TYR 524 CO 0.04 -0.08 0.15 -0.39 -1.64 0.00 0.00 178.16 176.23 3d4i h VAL 525 N -0.65 1.14 -0.06 1.81 -1.51 -0.92 -2.17 116.25 113.89 3d4i h VAL 525 Ca -0.04 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 3d4i h VAL 525 Cb 0.46 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 3d4i h VAL 525 CO 0.07 0.16 0.00 -0.08 -1.23 0.00 0.00 177.57 176.49 3d4i h GLU 526 N 0.50 0.10 -0.26 5.19 4.57 -1.25 -2.08 114.58 121.35 3d4i h GLU 526 Ca 0.13 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3d4i h GLU 526 Cb 0.09 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3d4i h GLU 526 CO -0.01 0.37 0.00 0.07 -1.18 0.00 0.00 179.01 178.26 3d4i h ARG 527 N -0.18 0.39 -0.71 1.92 0.11 -1.06 -0.09 114.38 114.76 3d4i h ARG 527 Ca 0.02 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 3d4i h ARG 527 Cb 0.32 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.31 3d4i h ARG 527 CO 0.00 0.41 0.22 0.00 0.10 0.00 0.00 179.97 180.70 3d4i h ALA 529 N 1.10 0.53 -0.17 0.00 0.00 -0.58 0.22 119.26 120.36 3d4i h ALA 529 Ca 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d4i h ALA 529 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3d4i h ALA 529 CO -0.01 0.28 0.10 0.28 0.00 0.00 0.00 179.25 179.91 3d4i h VAL 530 N 0.51 1.08 -0.08 0.00 2.07 -0.98 0.23 116.25 119.08 3d4i h VAL 530 Ca 0.11 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3d4i h VAL 530 Cb 0.44 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3d4i h VAL 530 CO 0.02 0.07 -0.03 0.28 0.02 0.00 0.00 177.57 177.93 3d4i h SER 531 N 0.20 -0.11 -0.69 0.57 0.02 -0.71 -1.99 113.55 110.85 3d4i h SER 531 Ca 0.06 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3d4i h SER 531 Cb 0.03 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3d4i h SER 531 CO -0.01 -0.04 0.30 0.24 -1.14 0.00 0.00 176.83 176.18 3d4i h MET 532 N -0.02 1.03 -0.50 3.45 2.86 -0.40 -0.97 114.93 120.39 3d4i h MET 532 Ca 0.04 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3d4i h MET 532 Cb 0.08 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 3d4i h MET 532 CO -0.10 0.83 0.17 0.78 1.06 0.00 0.00 176.91 179.65 3d4i h GLY 533 N 1.08 0.66 0.88 8.32 0.00 -0.68 -0.05 103.07 113.28 3d4i h GLY 533 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3d4i h GLY 533 CO -0.02 0.01 0.06 -1.61 0.00 0.00 0.00 176.54 174.98 3d4i h GLN 534 N 0.35 0.43 -0.68 4.80 4.15 -1.00 -3.07 115.11 120.09 3d4i h GLN 534 Ca 0.24 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.60 3d4i h GLN 534 Cb 0.26 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 3d4i h GLN 534 CO -0.25 0.53 0.39 0.82 -1.93 0.00 0.00 178.83 178.39 3d4i h ILE 535 N 0.27 1.01 0.00 2.39 2.04 -0.77 0.24 117.51 122.68 3d4i h ILE 535 Ca 0.08 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3d4i h ILE 535 Cb 0.29 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3d4i h ILE 535 CO 0.00 0.14 -0.08 0.40 0.00 0.00 0.00 178.15 178.60 3d4i h ILE 536 N 0.74 0.34 0.00 -0.67 1.08 -1.03 -1.09 117.51 116.89 3d4i h ILE 536 Ca 0.29 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3d4i h ILE 536 Cb 0.13 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3d4i h ILE 536 CO -0.15 0.08 -1.03 0.59 -0.69 0.00 0.00 178.15 176.95 3d4i n ASN 537 N -3.40 0.62 -2.66 1.72 3.02 -0.51 -4.43 115.26 109.63 3d4i n ASN 537 Ca -0.01 -0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.33 3d4i n ASN 537 Cb 0.24 0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 40.07 3d4i n ASN 537 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3d4i n THR 538 N -2.12 2.15 0.00 3.41 -1.04 0.73 -4.24 114.28 113.16 3d4i n THR 538 Ca 0.01 -1.19 0.00 0.00 -2.04 0.00 0.00 64.05 60.84 3d4i n THR 538 Cb 0.46 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 3d4i n THR 538 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d4i s PRO 540 N 0.00 3.08 0.00 0.00 0.02 -1.26 -4.37 135.00 132.47 3d4i s PRO 540 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 61.00 61.26 3d4i s PRO 540 Cb 0.00 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.30 3d4i s PRO 540 CO 0.00 -2.23 0.00 1.04 -0.33 0.00 0.00 177.00 175.48 3d4i n GLN 541 N 9.07 0.00 -1.59 5.54 6.02 -1.26 -4.99 117.38 130.17 3d4i n GLN 541 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 3d4i n GLN 541 Cb 0.50 -1.24 -0.03 0.00 1.02 0.00 0.00 30.24 30.49 3d4i n GLN 541 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3d4i n ASP 542 N 0.00 3.14 -4.67 1.08 8.00 -1.26 -4.92 116.55 117.92 3d4i n ASP 542 Ca 0.00 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 3d4i n ASP 542 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 3d4i n ASP 542 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3d4i s MET 543 N 6.58 4.24 0.00 -1.24 -1.94 -1.26 -4.85 119.30 120.83 3d4i s MET 543 Ca 1.01 1.93 0.00 0.00 -1.71 0.00 0.00 55.69 56.92 3d4i s MET 543 Cb -0.33 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 32.75 3d4i s MET 543 CO 0.34 -0.70 0.00 0.41 -0.01 0.00 0.00 175.02 175.06 3d4i n GLY 544 N 3.78 0.13 3.45 -0.03 0.00 -1.26 -4.92 105.19 106.34 3d4i n GLY 544 Ca 0.15 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 3d4i n GLY 544 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d4i s ILE 545 N -2.97 2.84 -0.21 -0.61 1.01 0.10 -1.56 121.20 119.80 3d4i s ILE 545 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 3d4i s ILE 545 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3d4i s ILE 545 CO 0.00 0.46 0.03 -0.89 0.00 0.00 0.00 174.94 174.54 3d4i s THR 546 N -0.82 4.18 0.10 2.92 2.01 0.07 -1.11 115.64 122.99 3d4i s THR 546 Ca 0.13 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 3d4i s THR 546 Cb -0.10 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3d4i s THR 546 CO 0.03 0.41 0.93 -0.76 -0.69 0.00 0.00 174.62 174.53 3d4i s LEU 547 N 1.09 4.49 -0.33 4.42 1.02 -0.47 -0.69 118.68 128.21 3d4i s LEU 547 Ca 0.03 1.73 0.04 0.00 0.02 0.00 0.00 54.13 55.95 3d4i s LEU 547 Cb -0.14 -3.53 0.10 0.00 0.02 0.00 0.00 46.19 42.64 3d4i s LEU 547 CO 0.02 -0.05 0.04 -0.63 0.02 0.00 0.00 176.35 175.75 3d4i s ILE 548 N -0.01 2.23 -0.40 -0.59 -1.09 0.51 -0.96 121.20 120.90 3d4i s ILE 548 Ca 0.46 -2.25 -0.15 0.00 -2.23 0.00 0.00 60.65 56.47 3d4i s ILE 548 Cb -0.23 -2.62 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3d4i s ILE 548 CO 0.29 -0.55 0.34 -0.69 -1.23 0.00 0.00 174.94 173.09 3d4i s VAL 549 N 0.94 5.21 0.00 2.92 1.01 0.31 -0.30 120.40 130.48 3d4i s VAL 549 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3d4i s VAL 549 Cb -0.19 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3d4i s VAL 549 CO -0.08 -0.28 0.00 -0.24 0.00 0.00 0.00 175.10 174.50 3d4i n SER 550 N 5.30 1.81 -4.72 3.32 2.88 -0.41 -1.12 113.62 120.68 3d4i n SER 550 Ca -0.10 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.19 3d4i n SER 550 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 3d4i n SER 550 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3d4i s HIS 551 N 0.32 2.60 0.21 0.66 3.76 -1.26 -1.67 115.29 119.91 3d4i s HIS 551 Ca 0.00 -0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 54.24 3d4i s HIS 551 Cb 0.00 -1.89 0.28 0.00 1.11 0.00 0.00 32.58 32.08 3d4i s HIS 551 CO 0.00 0.24 1.73 0.77 -0.85 0.00 0.00 174.74 176.63 3d4i h SER 552 N 1.50 0.12 -1.01 1.40 0.02 -1.93 -1.58 113.55 112.08 3d4i h SER 552 Ca -0.43 0.09 0.24 0.00 -0.84 0.00 0.00 61.79 60.86 3d4i h SER 552 Cb 1.25 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.77 3d4i h SER 552 CO 0.71 0.07 0.60 0.77 -1.14 0.00 0.00 176.83 177.84 3d4i h SER 553 N 0.33 0.68 0.27 3.07 4.64 -1.96 -1.90 113.55 118.68 3d4i h SER 553 Ca 0.31 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 3d4i h SER 553 Cb 0.42 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3d4i h SER 553 CO -0.35 0.12 -0.12 0.00 -0.87 0.00 0.00 176.83 175.61 3d4i h ALA 554 N 1.72 1.42 -0.18 5.18 0.00 -1.66 -0.64 119.26 125.10 3d4i h ALA 554 Ca 0.64 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.49 3d4i h ALA 554 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3d4i h ALA 554 CO -0.47 0.15 0.13 -0.07 0.00 0.00 0.00 179.25 178.99 3d4i h LEU 555 N 0.00 0.04 0.00 0.00 4.07 -1.42 -0.64 115.31 117.35 3d4i h LEU 555 Ca -0.00 -0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 3d4i h LEU 555 Cb 0.28 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 3d4i h LEU 555 CO 0.02 0.03 -1.30 -0.67 -1.08 0.00 0.00 178.44 175.43 3d4i n ASP 556 N -4.49 1.88 0.22 -0.43 2.03 -0.75 -4.21 116.55 110.81 3d4i n ASP 556 Ca 0.01 0.45 0.09 0.00 0.52 0.00 0.00 54.79 55.86 3d4i n ASP 556 Cb 0.23 -0.87 0.51 0.00 -0.72 0.00 0.00 41.12 40.28 3d4i n ASP 556 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d4i h SER 557 N -1.00 0.00 -0.01 1.67 4.64 -1.14 -1.60 113.55 116.12 3d4i h SER 557 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3d4i h SER 557 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3d4i h SER 557 CO -0.17 0.24 -0.29 0.00 -0.87 0.00 0.00 176.83 175.74 3d4i n THR 559 N 0.40 0.97 -0.23 0.00 -2.24 -0.99 -4.56 114.28 107.63 3d4i n THR 559 Ca 0.11 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3d4i n THR 559 Cb 0.50 -1.13 0.12 0.00 -2.10 0.00 0.00 70.33 67.73 3d4i n THR 559 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3d4i h ARG 560 N -0.03 0.57 -0.76 -0.78 3.08 -1.53 -0.30 114.38 114.62 3d4i h ARG 560 Ca -0.38 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.74 3d4i h ARG 560 Cb 1.57 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.42 3d4i h ARG 560 CO -0.07 0.38 0.38 -1.35 -1.07 0.00 0.00 179.97 178.24 3d4i h PRO 561 N 0.59 0.60 -0.75 0.04 0.11 -1.78 -0.35 132.00 130.47 3d4i h PRO 561 Ca 0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3d4i h PRO 561 Cb 0.33 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3d4i h PRO 561 CO -0.25 0.40 0.37 -0.07 -0.21 0.00 0.00 178.00 178.24 3d4i h LEU 562 N 0.62 0.97 -0.17 2.35 4.07 -1.37 -2.57 115.31 119.21 3d4i h LEU 562 Ca 0.39 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.22 3d4i h LEU 562 Cb 0.45 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.94 3d4i h LEU 562 CO -0.30 0.82 0.00 0.18 -1.08 0.00 0.00 178.44 178.06 3d4i n LEU 563 N -4.41 0.16 -1.90 1.67 4.77 -0.28 -3.96 117.00 113.05 3d4i n LEU 563 Ca 0.06 -0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 3d4i n LEU 563 Cb 0.12 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3d4i n LEU 563 CO 0.39 0.04 -0.21 0.61 -1.33 0.00 0.00 177.39 176.89 3d4i n GLY 564 N 0.39 0.87 3.87 -0.72 0.00 -0.89 -4.91 105.19 103.79 3d4i n GLY 564 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3d4i n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4i s LEU 565 N -5.10 4.34 0.78 0.99 1.43 -0.20 -5.02 118.68 115.90 3d4i s LEU 565 Ca 0.00 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3d4i s LEU 565 Cb 0.00 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.32 3d4i s LEU 565 CO 0.00 0.17 1.08 -2.16 0.23 0.00 0.00 176.35 175.68 3d4i s PRO 566 N -1.97 2.23 0.59 1.29 0.04 -1.26 -4.24 135.00 131.67 3d4i s PRO 566 Ca 0.33 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 3d4i s PRO 566 Cb -0.14 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3d4i s PRO 566 CO 0.18 -1.60 1.34 -2.14 0.04 0.00 0.00 177.00 174.82 3d4i s PRO 567 N -4.99 2.90 0.67 0.56 0.02 -1.26 -4.97 135.00 127.93 3d4i s PRO 567 Ca 0.61 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.66 3d4i s PRO 567 Cb -0.16 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.27 3d4i s PRO 567 CO 0.56 -1.37 1.15 1.03 -0.33 0.00 0.00 177.00 178.04 3d4i s ARG 568 N -3.09 2.59 0.35 5.54 0.52 -1.26 -4.99 118.95 118.61 3d4i s ARG 568 Ca 0.76 1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 57.25 3d4i s ARG 568 Cb -0.40 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.05 3d4i s ARG 568 CO 0.45 -1.44 1.52 -2.00 0.02 0.00 0.00 175.30 173.85 3d4i s GLU 569 N -3.93 4.11 0.26 3.54 -6.30 -1.26 -4.78 118.70 110.33 3d4i s GLU 569 Ca 0.71 2.58 -0.04 0.00 -2.50 0.00 0.00 54.97 55.71 3d4i s GLU 569 Cb -0.24 -2.98 0.51 0.00 0.00 0.00 0.00 34.13 31.41 3d4i s GLU 569 CO 0.41 -0.57 1.65 0.00 0.02 0.00 0.00 175.26 176.78 3d4i h GLY 571 N 0.16 1.03 0.85 0.00 0.00 -1.99 -0.27 103.07 102.85 3d4i h GLY 571 Ca 0.45 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3d4i h GLY 571 CO -0.63 0.48 -0.12 -1.80 0.00 0.00 0.00 176.54 174.48 3d4i h ASP 572 N 0.93 -0.27 -0.46 0.19 3.58 -1.66 -1.98 116.42 116.74 3d4i h ASP 572 Ca 0.23 -0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.67 3d4i h ASP 572 Cb 0.11 0.07 -0.10 0.00 1.72 0.00 0.00 39.33 41.13 3d4i h ASP 572 CO -0.03 -0.06 -0.28 0.15 -2.88 0.00 0.00 179.24 176.14 3d4i h PHE 573 N -0.48 -0.74 -0.84 0.28 3.57 -1.23 -1.24 116.94 116.27 3d4i h PHE 573 Ca -0.03 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3d4i h PHE 573 Cb 0.36 0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 3d4i h PHE 573 CO -0.02 -0.35 0.53 0.00 -2.23 0.00 0.00 178.31 176.25 3d4i h ALA 574 N 1.00 1.12 -0.47 2.41 0.00 -0.96 -1.97 119.26 120.41 3d4i h ALA 574 Ca 0.21 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3d4i h ALA 574 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3d4i h ALA 574 CO -0.56 0.33 -0.14 0.37 0.00 0.00 0.00 179.25 179.25 3d4i h GLN 575 N 1.01 0.92 -0.20 0.00 4.15 -0.99 -2.50 115.11 117.51 3d4i h GLN 575 Ca 0.35 -0.36 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 3d4i h GLN 575 Cb 0.07 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3d4i h GLN 575 CO -0.14 1.02 -0.38 -0.07 -1.93 0.00 0.00 178.83 177.33 3d4i h LEU 576 N 0.76 0.46 0.00 -2.39 -0.00 -0.80 -3.22 115.31 110.13 3d4i h LEU 576 Ca 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 3d4i h LEU 576 Cb 0.69 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 3d4i h LEU 576 CO 0.05 0.80 -0.87 0.58 -0.00 0.00 0.00 178.44 179.00 3d4i h VAL 577 N 0.37 0.00 -1.00 1.22 2.07 -1.37 -3.39 116.25 114.15 3d4i h VAL 577 Ca 0.04 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3d4i h VAL 577 Cb 0.84 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3d4i h VAL 577 CO 0.07 0.00 0.65 0.08 0.02 0.00 0.00 177.57 178.39 3d4i h ARG 578 N 0.00 1.22 -0.45 1.57 0.11 -1.45 -3.12 114.38 112.25 3d4i h ARG 578 Ca 0.00 -0.07 -0.29 0.00 0.10 0.00 0.00 59.98 59.72 3d4i h ARG 578 Cb 0.88 -0.27 -0.19 0.00 1.11 0.00 0.00 29.97 31.50 3d4i h ARG 578 CO 0.00 0.81 -0.27 1.63 0.10 0.00 0.00 179.97 182.23 3d4i n LYS 579 N -4.45 2.34 -2.31 0.08 5.02 -1.26 -5.00 118.16 112.56 3d4i n LYS 579 Ca 0.14 -3.49 -0.42 0.00 -2.02 0.00 0.00 58.31 52.52 3d4i n LYS 579 Cb 0.10 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.14 3d4i n LYS 579 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d4i s ILE 580 N -3.75 3.85 0.85 -0.18 1.01 -1.18 -5.02 121.20 116.77 3d4i s ILE 580 Ca 0.47 1.26 -0.12 0.00 0.00 0.00 0.00 60.65 62.26 3d4i s ILE 580 Cb 0.41 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 39.17 3d4i s ILE 580 CO -0.01 0.04 1.13 -2.16 0.00 0.00 0.00 174.94 173.94 3d4i s PRO 581 N 1.85 1.64 0.35 2.79 0.04 -1.26 -4.94 135.00 135.47 3d4i s PRO 581 Ca 0.61 0.37 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 3d4i s PRO 581 Cb -0.30 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3d4i s PRO 581 CO 0.27 -1.87 1.37 0.43 0.04 0.00 0.00 177.00 177.23 3d4i n SER 582 N -3.55 3.12 -0.41 6.66 7.64 -1.26 -1.54 113.62 124.27 3d4i n SER 582 Ca 0.07 1.21 -0.05 0.00 1.01 0.00 0.00 58.87 61.10 3d4i n SER 582 Cb 0.59 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 3d4i n SER 582 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d4i n LEU 583 N 0.79 0.17 -4.68 -3.43 7.99 -0.68 -4.95 117.00 112.21 3d4i n LEU 583 Ca 0.04 0.13 -0.42 0.00 -0.01 0.00 0.00 56.01 55.76 3d4i n LEU 583 Cb 0.37 -2.23 0.00 0.00 -0.11 0.00 0.00 43.42 41.45 3d4i n LEU 583 CO 0.63 -0.84 0.82 0.61 -1.51 0.00 0.00 177.39 177.10 3d4i n GLY 584 N -0.09 0.39 3.12 -0.72 0.00 -0.59 -4.59 105.19 102.71 3d4i n GLY 584 Ca -0.05 0.24 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3d4i n GLY 584 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d4i s MET 585 N -2.02 0.80 -0.00 1.61 -1.94 -1.26 -1.00 119.30 115.48 3d4i s MET 585 Ca 0.59 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.85 3d4i s MET 585 Cb -0.55 -0.76 -0.00 0.00 2.01 0.00 0.00 34.83 35.53 3d4i s MET 585 CO 0.59 0.18 -0.05 0.00 -0.01 0.00 0.00 175.02 175.74 3d4i s PHE 587 N -0.10 1.92 -0.05 0.00 5.36 -1.25 -1.02 117.98 122.83 3d4i s PHE 587 Ca 0.02 -0.67 0.04 0.00 -0.96 0.00 0.00 56.93 55.36 3d4i s PHE 587 Cb -0.02 -1.31 -0.00 0.00 -0.34 0.00 0.00 43.02 41.35 3d4i s PHE 587 CO -0.00 -0.27 -0.18 0.00 -1.46 0.00 0.00 175.22 173.31 3d4i s GLU 589 N 0.17 2.30 -0.10 0.00 2.02 0.18 -0.56 118.70 122.70 3d4i s GLU 589 Ca -0.07 -0.82 -0.26 0.00 0.02 0.00 0.00 54.97 53.84 3d4i s GLU 589 Cb -0.13 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 3d4i s GLU 589 CO 0.03 0.59 0.83 -2.00 0.02 0.00 0.00 175.26 174.73 3d4i s GLU 590 N -0.88 4.40 -0.62 1.61 2.12 -0.55 -0.34 118.70 124.44 3d4i s GLU 590 Ca 0.12 1.07 -0.11 0.00 0.36 0.00 0.00 54.97 56.41 3d4i s GLU 590 Cb -0.10 -3.51 0.16 0.00 0.26 0.00 0.00 34.13 30.94 3d4i s GLU 590 CO 0.01 -0.14 0.53 1.21 -0.54 0.00 0.00 175.26 176.33 3d4i s ASN 591 N 1.01 6.08 0.31 -1.70 3.84 0.17 -4.55 114.94 120.09 3d4i s ASN 591 Ca 0.41 -2.28 0.15 0.00 0.21 0.00 0.00 52.86 51.35 3d4i s ASN 591 Cb -0.18 -2.10 0.37 0.00 -0.55 0.00 0.00 41.25 38.79 3d4i s ASN 591 CO 0.18 -0.64 1.58 0.08 -2.79 0.00 0.00 177.10 175.51 3d4i h ARG 592 N 8.12 0.00 -0.15 0.43 0.11 -1.96 -0.74 114.38 120.19 3d4i h ARG 592 Ca -0.10 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 3d4i h ARG 592 Cb 1.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 3d4i h ARG 592 CO 0.84 0.52 0.01 1.49 0.10 0.00 0.00 179.97 182.93 3d4i h GLU 593 N 0.00 0.27 -0.00 0.08 4.22 -1.93 -2.92 114.58 114.29 3d4i h GLU 593 Ca -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3d4i h GLU 593 Cb 1.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3d4i h GLU 593 CO 0.07 0.48 -0.02 -0.25 -2.18 0.00 0.00 179.01 177.11 3d4i n ASP 594 N -4.76 0.19 -3.48 1.04 9.92 -1.21 -4.92 116.55 113.33 3d4i n ASP 594 Ca -0.05 -0.75 -0.19 0.00 -0.53 0.00 0.00 54.79 53.27 3d4i n ASP 594 Cb 0.21 -0.09 0.08 0.00 -0.64 0.00 0.00 41.12 40.68 3d4i n ASP 594 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d4i n GLY 595 N 1.13 -0.39 3.41 0.44 0.00 -0.82 -5.02 105.19 103.95 3d4i n GLY 595 Ca 0.20 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 3d4i n GLY 595 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4i s LYS 596 N -5.57 1.26 0.07 1.61 -2.85 -0.35 -5.03 119.74 108.88 3d4i s LYS 596 Ca 0.11 -1.11 0.08 0.00 -1.00 0.00 0.00 55.97 54.05 3d4i s LYS 596 Cb -0.05 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 3d4i s LYS 596 CO 0.74 -0.49 -0.18 -1.58 0.10 0.00 0.00 175.35 173.93 3d4i s TRP 597 N -3.95 2.55 -0.02 1.78 0.52 -1.25 0.46 118.94 119.02 3d4i s TRP 597 Ca 0.16 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 56.09 3d4i s TRP 597 Cb 0.02 -1.42 -0.02 0.00 -1.15 0.00 0.00 33.47 30.90 3d4i s TRP 597 CO 0.01 0.30 -0.23 -0.51 0.02 0.00 0.00 176.95 176.54 3d4i s ASP 598 N -1.69 2.71 -0.04 2.95 1.01 0.54 -4.63 116.67 117.52 3d4i s ASP 598 Ca 0.16 -0.42 -0.30 0.00 0.71 0.00 0.00 52.55 52.70 3d4i s ASP 598 Cb -0.11 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.44 3d4i s ASP 598 CO 0.07 0.27 1.12 -0.22 0.21 0.00 0.00 175.17 176.62 3d4i s LEU 599 N -0.49 4.30 0.03 1.23 0.20 -1.26 -0.65 118.68 122.04 3d4i s LEU 599 Ca 0.07 1.75 -0.01 0.00 0.69 0.00 0.00 54.13 56.64 3d4i s LEU 599 Cb -0.09 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.08 3d4i s LEU 599 CO -0.00 -0.48 -0.02 -0.69 -0.29 0.00 0.00 176.35 174.87 3d4i s VAL 600 N 1.79 0.13 0.19 1.68 1.01 -0.09 -4.98 120.40 120.13 3d4i s VAL 600 Ca 0.54 -1.07 -0.33 0.00 0.00 0.00 0.00 61.98 61.12 3d4i s VAL 600 Cb -0.23 -0.53 -0.14 0.00 0.00 0.00 0.00 36.38 35.48 3d4i s VAL 600 CO 0.23 -0.59 1.49 0.59 0.00 0.00 0.00 175.10 176.82 3d4i n ASN 601 N 1.28 2.83 -4.61 3.32 3.02 -1.26 -3.95 115.26 115.90 3d4i n ASN 601 Ca -0.22 1.11 -0.34 0.00 -0.03 0.00 0.00 54.58 55.11 3d4i n ASN 601 Cb 0.56 -1.41 0.12 0.00 -0.61 0.00 0.00 39.78 38.45 3d4i n ASN 601 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3d4i n PRO 602 N 2.80 0.05 0.00 3.52 -0.02 -1.26 -4.88 135.00 135.20 3d4i n PRO 602 Ca 0.15 0.09 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3d4i n PRO 602 Cb 0.29 -2.25 0.48 0.00 -0.02 0.00 0.00 33.50 32.00 3d4i n PRO 602 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3d4i n PRO 603 N -2.75 0.25 -4.18 0.52 -0.04 -1.26 -4.76 135.00 122.78 3d4i n PRO 603 Ca 0.12 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 3d4i n PRO 603 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 3d4i n PRO 603 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d4i s VAL 604 N -2.61 1.01 1.00 0.52 -7.23 -1.26 -4.88 120.40 106.96 3d4i s VAL 604 Ca 0.17 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 3d4i s VAL 604 Cb 0.13 -1.29 0.19 0.00 0.56 0.00 0.00 36.38 35.97 3d4i s VAL 604 CO 0.30 -0.46 1.08 -0.54 -0.31 0.00 0.00 175.10 175.16 3d4i s LYS 605 N -2.51 0.41 0.95 4.82 -0.14 -1.26 -5.04 119.74 116.97 3d4i s LYS 605 Ca 0.04 0.90 -0.12 0.00 -1.36 0.00 0.00 55.97 55.43 3d4i s LYS 605 Cb -0.05 -1.70 0.16 0.00 -1.68 0.00 0.00 37.83 34.56 3d4i s LYS 605 CO 0.01 -2.84 1.12 -0.08 -0.76 0.00 0.00 175.35 172.79 3d4i s THR 606 N -2.74 2.05 -0.13 2.17 -1.32 -1.26 -5.07 115.64 109.33 3d4i s THR 606 Ca 0.66 0.02 -0.00 0.00 -1.21 0.00 0.00 61.69 61.15 3d4i s THR 606 Cb -0.21 -2.65 0.02 0.00 -1.51 0.00 0.00 72.50 68.15 3d4i s THR 606 CO 0.60 -0.02 -0.11 -0.22 -2.21 0.00 0.00 174.62 172.66 3d4i s LEU 607 N -6.22 1.43 -0.12 9.08 2.96 -1.26 -5.11 118.68 119.43 3d4i s LEU 607 Ca 0.64 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3d4i s LEU 607 Cb -0.16 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.54 3d4i s LEU 607 CO 0.55 -0.09 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.46 3d4i s THR 608 N 1.59 1.49 0.16 3.68 2.01 -1.26 -5.03 115.64 118.28 3d4i s THR 608 Ca 0.05 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 3d4i s THR 608 Cb -0.13 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.00 3d4i s THR 608 CO -0.09 0.44 0.30 -1.38 -0.69 0.00 0.00 174.62 173.20 3d4i s HIS 609 N 1.18 0.32 0.67 4.92 -3.43 -1.26 -5.17 115.29 112.52 3d4i s HIS 609 Ca -0.02 -0.69 0.03 0.00 -0.80 0.00 0.00 55.06 53.58 3d4i s HIS 609 Cb -0.14 -0.01 0.11 0.00 -1.43 0.00 0.00 32.58 31.11 3d4i s HIS 609 CO -0.05 -0.73 0.92 0.20 -2.00 0.00 0.00 174.74 173.09 3d4i s GLY 610 N -2.95 1.75 0.74 -1.38 0.00 -1.26 -5.10 107.32 99.12 3d4i s GLY 610 Ca 0.15 -1.89 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 3d4i s GLY 610 CO -0.01 -1.36 1.06 0.00 0.00 0.00 0.00 173.10 172.79 3d4i s ALA 611 N -2.97 3.09 -0.13 3.20 0.00 -1.26 -5.09 121.76 118.60 3d4i s ALA 611 Ca 0.65 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3d4i s ALA 611 Cb -0.05 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.54 3d4i s ALA 611 CO 0.42 -1.48 -0.02 1.21 0.00 0.00 0.00 175.76 175.89 3d4i s ASN 612 N -4.60 2.25 0.46 0.00 2.47 -1.26 -5.14 114.94 109.13 3d4i s ASN 612 Ca 0.63 -0.41 -0.19 0.00 0.42 0.00 0.00 52.86 53.31 3d4i s ASN 612 Cb -0.09 -0.66 -0.10 0.00 -1.45 0.00 0.00 41.25 38.95 3d4i s ASN 612 CO 0.46 -0.20 0.95 -0.44 -3.72 0.00 0.00 177.10 174.15 3d4i s SER 613 N 1.82 6.80 0.60 -4.21 0.01 -1.26 -5.02 113.70 112.43 3d4i s SER 613 Ca 0.03 1.61 -0.19 0.00 1.31 0.00 0.00 55.95 58.71 3d4i s SER 613 Cb -0.14 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 3d4i s SER 613 CO -0.07 -0.45 1.14 0.55 0.41 0.00 0.00 173.24 174.83 3d4i n VAL 614 N -1.02 4.04 -3.68 3.43 3.14 -1.26 -5.02 118.33 117.97 3d4i n VAL 614 Ca 0.07 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.80 3d4i n VAL 614 Cb 0.54 -1.35 -0.14 0.00 -1.06 0.00 0.00 33.84 31.82 3d4i n VAL 614 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3d4i s PHE 615 N -1.42 -0.28 -0.33 1.45 5.36 -1.26 -5.11 117.98 116.39 3d4i s PHE 615 Ca 0.76 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 57.45 3d4i s PHE 615 Cb -0.41 -0.15 0.06 0.00 -0.34 0.00 0.00 43.02 42.18 3d4i s PHE 615 CO 0.46 -0.29 0.07 1.21 -1.46 0.00 0.00 175.22 175.21 3d4i s ASN 616 N 2.18 5.05 0.30 6.13 2.47 -1.26 -4.99 114.94 124.82 3d4i s ASN 616 Ca 0.01 -1.44 0.06 0.00 0.42 0.00 0.00 52.86 51.91 3d4i s ASN 616 Cb -0.12 -1.77 0.76 0.00 -1.45 0.00 0.00 41.25 38.67 3d4i s ASN 616 CO -0.07 -0.34 1.77 4.11 -3.72 0.00 0.00 177.10 178.85 3d4i h TRP 617 N 8.04 1.06 -0.05 0.43 5.08 -2.01 -1.62 115.95 126.89 3d4i h TRP 617 Ca -0.19 0.03 0.01 0.00 1.08 0.00 0.00 58.89 59.83 3d4i h TRP 617 Cb 1.06 -0.32 -0.00 0.00 -3.00 0.00 0.00 29.16 26.90 3d4i h TRP 617 CO 0.59 0.21 0.18 0.00 -1.28 0.00 0.00 178.44 178.14 3d4i h ARG 618 N 0.74 0.00 -0.19 0.12 3.08 -2.07 -1.97 114.38 114.10 3d4i h ARG 618 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.64 3d4i h ARG 618 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3d4i h ARG 618 CO -0.40 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.59 3d4i n ASN 619 N -3.18 0.19 0.00 7.04 4.13 -0.61 -5.33 115.26 117.49 3d4i n ASN 619 Ca -0.01 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.20 3d4i n ASN 619 Cb 0.25 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 3d4i n ASN 619 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87