#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hso s PRO 298 N 0.00 4.30 0.40 0.00 0.04 -1.26 -4.91 135.00 133.57 3hso s PRO 298 Ca 0.00 2.18 0.14 0.00 0.04 0.00 0.00 61.00 63.36 3hso s PRO 298 Cb 0.00 -3.19 1.00 0.00 0.04 0.00 0.00 34.50 32.35 3hso s PRO 298 CO 0.00 -0.42 1.87 0.00 0.04 0.00 0.00 177.00 178.49 3hso h ARG 299 N 6.09 0.48 -5.21 4.56 3.08 -1.99 -3.42 114.38 117.97 3hso h ARG 299 Ca -0.44 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.06 3hso h ARG 299 Cb 1.21 -0.11 -0.31 0.00 0.08 0.00 0.00 29.97 30.85 3hso h ARG 299 CO 0.83 0.32 -0.82 -0.06 -1.07 0.00 0.00 179.97 179.17 3hso s PHE 300 N -5.50 1.49 -0.08 3.04 0.08 -1.26 -4.52 117.98 111.23 3hso s PHE 300 Ca -0.09 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.61 3hso s PHE 300 Cb 0.22 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.68 3hso s PHE 300 CO 0.78 -0.12 -0.16 -0.51 -0.10 0.00 0.00 175.22 175.11 3hso s LEU 301 N -0.03 1.80 0.05 -0.37 1.43 -0.91 -4.95 118.68 115.69 3hso s LEU 301 Ca -0.01 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 3hso s LEU 301 Cb -0.10 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 3hso s LEU 301 CO 0.01 0.07 0.37 -0.54 0.23 0.00 0.00 176.35 176.49 3hso s LYS 302 N 0.61 3.75 -0.01 1.70 -0.14 -1.26 0.65 119.74 125.04 3hso s LYS 302 Ca -0.15 0.17 0.06 0.00 -1.36 0.00 0.00 55.97 54.69 3hso s LYS 302 Cb -0.16 -3.05 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 3hso s LYS 302 CO 0.05 0.60 -0.18 0.14 -0.76 0.00 0.00 175.35 175.20 3hso s VAL 303 N -1.32 1.46 -0.02 3.17 -7.23 0.07 -4.96 120.40 111.57 3hso s VAL 303 Ca 0.30 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.72 3hso s VAL 303 Cb -0.14 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 3hso s VAL 303 CO 0.16 0.39 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.38 3hso s LYS 304 N -0.49 2.22 -0.25 4.82 2.20 -1.26 -0.03 119.74 126.95 3hso s LYS 304 Ca 0.07 -0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 54.68 3hso s LYS 304 Cb -0.07 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 3hso s LYS 304 CO -0.01 0.58 0.32 1.21 -0.36 0.00 0.00 175.35 177.09 3hso s ASN 305 N -0.76 6.23 0.00 1.43 3.84 -0.29 -2.06 114.94 123.34 3hso s ASN 305 Ca 0.11 0.26 0.30 0.00 0.21 0.00 0.00 52.86 53.74 3hso s ASN 305 Cb -0.10 -2.19 1.57 0.00 -0.55 0.00 0.00 41.25 39.98 3hso s ASN 305 CO 0.00 -0.11 2.05 0.79 -2.79 0.00 0.00 177.10 177.04 3hso n TRP 306 N 5.00 0.00 0.28 0.43 7.02 0.17 -0.32 117.44 130.02 3hso n TRP 306 Ca -0.10 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.46 3hso n TRP 306 Cb 0.51 -0.09 -0.11 0.00 -2.42 0.00 0.00 31.31 29.20 3hso n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3hso n GLU 307 N -0.88 0.98 0.00 -0.99 4.07 -1.26 -4.61 120.64 117.95 3hso n GLU 307 Ca 0.19 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3hso n GLU 307 Cb 0.20 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.25 3hso n GLU 307 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3hso n THR 308 N -1.80 0.00 -1.19 6.31 -2.24 -1.19 -5.02 114.28 109.15 3hso n THR 308 Ca -0.01 -0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 3hso n THR 308 Cb 0.36 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 3hso n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hso n ASP 309 N -0.81 -5.78 -4.72 3.42 8.00 0.57 -4.98 116.55 112.26 3hso n ASP 309 Ca 0.00 0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 3hso n ASP 309 Cb 0.00 -3.86 -0.03 0.00 -0.02 0.00 0.00 41.12 37.21 3hso n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hso s VAL 310 N -1.58 3.16 -0.10 2.53 1.01 -1.24 -4.81 120.40 119.37 3hso s VAL 310 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3hso s VAL 310 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3hso s VAL 310 CO 0.00 0.06 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 3hso s VAL 311 N 1.14 3.38 0.20 2.92 1.01 -1.26 -1.14 120.40 126.66 3hso s VAL 311 Ca 0.66 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.17 3hso s VAL 311 Cb -0.38 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3hso s VAL 311 CO 0.30 0.55 -0.16 -0.76 0.00 0.00 0.00 175.10 175.03 3hso s LEU 312 N -0.14 2.72 -0.16 3.92 1.43 0.96 -4.95 118.68 122.46 3hso s LEU 312 Ca 0.00 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3hso s LEU 312 Cb -0.13 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3hso s LEU 312 CO 0.03 0.10 -0.17 -0.89 0.23 0.00 0.00 176.35 175.64 3hso s THR 313 N -1.81 2.41 -0.22 5.49 2.01 -1.26 -0.75 115.64 121.52 3hso s THR 313 Ca 0.24 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 3hso s THR 313 Cb -0.08 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3hso s THR 313 CO 0.13 0.52 0.11 -0.62 -0.69 0.00 0.00 174.62 174.08 3hso s ASP 314 N 0.96 5.85 -0.02 3.53 -1.08 0.21 -4.66 116.67 121.46 3hso s ASP 314 Ca -0.03 0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.10 3hso s ASP 314 Cb -0.15 -2.04 -0.04 0.00 -1.46 0.00 0.00 42.92 39.24 3hso s ASP 314 CO -0.03 0.10 0.03 0.35 0.52 0.00 0.00 175.17 176.13 3hso n THR 315 N 4.04 0.12 -0.31 1.71 -2.24 0.13 -2.14 114.28 115.59 3hso n THR 315 Ca -0.16 -0.09 0.30 0.00 -2.27 0.00 0.00 64.05 61.83 3hso n THR 315 Cb 0.52 -0.48 0.65 0.00 -2.10 0.00 0.00 70.33 68.92 3hso n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hso h LEU 316 N 0.00 0.18 -1.93 3.22 5.85 -1.22 -0.93 115.31 120.48 3hso h LEU 316 Ca -0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hso h LEU 316 Cb 0.82 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3hso h LEU 316 CO 0.00 0.03 0.00 1.12 -0.34 0.00 0.00 178.44 179.25 3hso h HIS 317 N 0.15 0.00 0.00 1.25 2.07 -1.84 -0.54 115.15 116.25 3hso h HIS 317 Ca 0.57 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.08 3hso h HIS 317 Cb 1.94 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.92 3hso h HIS 317 CO -0.00 0.00 -0.04 -0.07 -3.07 0.00 0.00 177.93 174.75 3hso h LEU 318 N 0.00 0.00 -1.46 6.12 3.38 -1.52 -1.87 115.31 119.96 3hso h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hso h LEU 318 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hso h LEU 318 CO 0.00 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.86 3hso n LYS 319 N -3.15 1.95 -2.57 1.13 4.76 -0.21 -4.87 118.16 115.19 3hso n LYS 319 Ca 0.01 -1.44 -0.40 0.00 -2.87 0.00 0.00 58.31 53.61 3hso n LYS 319 Cb 0.34 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 3hso n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3hso s SER 320 N -1.41 7.33 0.00 4.39 0.15 -0.71 -4.86 113.70 118.60 3hso s SER 320 Ca 0.32 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.11 3hso s SER 320 Cb 0.18 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3hso s SER 320 CO 0.25 -0.09 0.00 1.07 1.20 0.00 0.00 173.24 175.68 3hso n THR 321 N 1.12 0.00 -2.07 6.45 5.66 -1.21 -5.04 114.28 119.19 3hso n THR 321 Ca -0.01 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 3hso n THR 321 Cb 0.46 -0.98 0.14 0.00 -1.55 0.00 0.00 70.33 68.40 3hso n THR 321 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3hso n LEU 322 N -2.68 0.00 -4.99 1.09 4.77 -1.26 -5.09 117.00 108.84 3hso n LEU 322 Ca 0.00 -1.41 -0.18 0.00 -0.03 0.00 0.00 56.01 54.39 3hso n LEU 322 Cb 0.35 -0.72 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 3hso n LEU 322 CO 0.00 -1.13 0.15 -1.61 -1.33 0.00 0.00 177.39 173.47 3hso s GLU 323 N -5.09 2.72 -0.09 3.23 2.02 -1.26 -4.69 118.70 115.54 3hso s GLU 323 Ca 0.59 -1.34 0.12 0.00 0.02 0.00 0.00 54.97 54.36 3hso s GLU 323 Cb -0.02 -2.69 -0.17 0.00 0.10 0.00 0.00 34.13 31.36 3hso s GLU 323 CO 0.41 -0.34 0.12 0.25 0.02 0.00 0.00 175.26 175.72 3hso n THR 324 N -1.86 0.57 -0.03 3.63 -2.24 -1.26 -4.85 114.28 108.24 3hso n THR 324 Ca 0.08 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3hso n THR 324 Cb 0.60 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3hso n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hso n GLY 325 N 2.10 0.59 3.90 3.38 0.00 -1.26 -4.94 105.19 108.96 3hso n GLY 325 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 3hso n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hso n THR 327 N -0.98 0.00 0.27 0.00 -2.24 -0.17 -4.99 114.28 106.17 3hso n THR 327 Ca -0.01 -0.91 0.13 0.00 -2.27 0.00 0.00 64.05 60.99 3hso n THR 327 Cb 0.54 0.28 0.77 0.00 -2.10 0.00 0.00 70.33 69.83 3hso n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hso h GLU 328 N 0.00 0.00 0.00 -0.78 5.08 -2.06 -3.27 114.58 113.55 3hso h GLU 328 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3hso h GLU 328 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hso h GLU 328 CO 0.21 0.09 -0.46 0.72 -1.00 0.00 0.00 179.01 178.58 3hso n HIS 329 N -3.70 0.00 -3.77 4.33 8.25 -1.26 -4.99 115.22 114.08 3hso n HIS 329 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 3hso n HIS 329 Cb 0.20 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 31.13 3hso n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3hso s ILE 330 N -1.79 -0.06 -0.31 1.59 2.07 -1.23 -5.12 121.20 116.35 3hso s ILE 330 Ca 0.02 0.21 -0.10 0.00 -1.41 0.00 0.00 60.65 59.37 3hso s ILE 330 Cb 0.06 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.52 3hso s ILE 330 CO 0.31 0.08 0.16 0.00 -1.91 0.00 0.00 174.94 173.58 3hso n MET 332 N 5.00 2.32 0.14 0.00 2.81 -1.26 -4.75 117.12 121.38 3hso n MET 332 Ca -0.14 -3.15 0.17 0.00 -1.81 0.00 0.00 57.70 52.77 3hso n MET 332 Cb 0.49 -2.14 0.75 0.00 -0.71 0.00 0.00 33.22 31.61 3hso n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3hso h GLY 333 N 1.25 0.00 -2.26 3.03 0.00 -1.94 -2.50 103.07 100.66 3hso h GLY 333 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3hso h GLY 333 CO 1.07 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.47 3hso n SER 334 N -4.10 3.51 -4.69 0.19 3.41 -1.26 -4.84 113.62 105.84 3hso n SER 334 Ca 0.04 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3hso n SER 334 Cb 0.39 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3hso n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hso s ILE 335 N -1.22 4.81 0.01 -1.33 -1.09 -0.94 -5.00 121.20 116.43 3hso s ILE 335 Ca 0.39 1.99 -0.25 0.00 -2.23 0.00 0.00 60.65 60.55 3hso s ILE 335 Cb 0.22 -4.29 -0.16 0.00 -1.58 0.00 0.00 42.46 36.65 3hso s ILE 335 CO 0.29 0.03 1.19 0.24 -1.23 0.00 0.00 174.94 175.47 3hso h MET 336 N 7.08 -0.45 -3.05 2.79 2.86 -1.91 -3.40 114.93 118.86 3hso h MET 336 Ca -0.32 0.03 -0.62 0.00 -2.06 0.00 0.00 59.70 56.73 3hso h MET 336 Cb 1.15 0.10 -0.42 0.00 0.06 0.00 0.00 31.60 32.50 3hso h MET 336 CO 0.84 -0.13 -0.61 -0.51 1.06 0.00 0.00 176.91 177.57 3hso s LEU 337 N -9.48 4.52 -0.53 1.22 1.02 -1.26 -5.15 118.68 109.01 3hso s LEU 337 Ca -0.14 -3.74 -0.02 0.00 0.02 0.00 0.00 54.13 50.26 3hso s LEU 337 Cb 0.02 -1.54 0.31 0.00 0.02 0.00 0.00 46.19 45.00 3hso s LEU 337 CO 0.52 -0.10 2.11 -0.81 0.02 0.00 0.00 176.35 178.09 3hso n PRO 338 N 2.12 2.34 -2.79 1.29 -0.05 -1.26 -5.22 135.00 131.43 3hso n PRO 338 Ca 0.19 -2.57 -0.26 0.00 -0.05 0.00 0.00 63.50 60.81 3hso n PRO 338 Cb 0.36 -2.02 -0.00 0.00 -0.05 0.00 0.00 33.50 31.78 3hso n PRO 338 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3hso s VAL 348 N -3.64 4.84 0.53 0.52 0.11 -1.26 -4.87 120.40 116.63 3hso s VAL 348 Ca 0.50 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.44 3hso s VAL 348 Cb 0.39 -3.83 -0.06 0.00 -1.53 0.00 0.00 36.38 31.35 3hso s VAL 348 CO -0.07 -0.75 0.96 -0.13 -3.33 0.00 0.00 175.10 171.78 3hso s ARG 349 N -4.66 3.81 0.12 1.54 0.52 -1.26 -5.08 118.95 113.94 3hso s ARG 349 Ca 0.46 0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 56.37 3hso s ARG 349 Cb -0.10 -2.17 -0.06 0.00 0.52 0.00 0.00 34.95 33.14 3hso s ARG 349 CO 0.43 -0.32 0.45 0.99 0.02 0.00 0.00 175.30 176.88 3hso s THR 350 N -2.75 5.02 0.25 0.02 2.01 -1.26 -4.95 115.64 113.99 3hso s THR 350 Ca 0.56 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.95 3hso s THR 350 Cb -0.10 -3.66 0.37 0.00 0.01 0.00 0.00 72.50 69.12 3hso s THR 350 CO 0.38 0.19 1.59 0.11 -0.69 0.00 0.00 174.62 176.20 3hso h LYS 351 N 3.40 -0.00 -0.41 4.92 1.57 -1.95 0.31 116.57 124.41 3hso h LYS 351 Ca -0.48 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3hso h LYS 351 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 3hso h LYS 351 CO 0.67 -0.00 0.13 0.22 -0.57 0.00 0.00 179.45 179.90 3hso h ASP 352 N -0.00 0.12 0.03 0.86 3.58 -1.98 -2.28 116.42 116.75 3hso h ASP 352 Ca 0.41 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.83 3hso h ASP 352 Cb 0.62 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 3hso h ASP 352 CO -0.88 0.10 -0.22 1.56 -2.88 0.00 0.00 179.24 176.92 3hso h GLN 353 N 0.28 0.33 0.17 0.28 4.20 -1.03 -3.33 115.11 116.01 3hso h GLN 353 Ca 0.19 -0.11 -0.31 0.00 0.06 0.00 0.00 58.65 58.48 3hso h GLN 353 Cb 0.19 -0.03 0.03 0.00 0.30 0.00 0.00 27.48 27.97 3hso h GLN 353 CO -0.21 0.54 -1.33 1.25 -0.67 0.00 0.00 178.83 178.41 3hso h LEU 354 N 0.30 0.81 -0.96 1.46 5.85 -0.09 -3.34 115.31 119.33 3hso h LEU 354 Ca 0.05 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3hso h LEU 354 Cb 0.56 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3hso h LEU 354 CO 0.04 1.61 0.61 0.15 -0.34 0.00 0.00 178.44 180.51 3hso h PHE 355 N 0.20 1.23 -0.17 1.25 3.57 -1.54 0.03 116.94 121.52 3hso h PHE 355 Ca -0.21 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 3hso h PHE 355 Cb 2.01 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 3hso h PHE 355 CO 0.11 0.80 -0.25 -1.00 -2.23 0.00 0.00 178.31 175.74 3hso h PRO 356 N 1.31 0.31 -0.39 6.41 0.13 -1.76 0.29 132.00 138.31 3hso h PRO 356 Ca 0.35 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 65.23 3hso h PRO 356 Cb -0.11 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 3hso h PRO 356 CO -0.07 0.54 -0.33 -0.07 -0.23 0.00 0.00 178.00 177.84 3hso h LEU 357 N 0.28 0.93 -0.28 1.56 3.38 -1.54 -0.55 115.31 119.10 3hso h LEU 357 Ca 0.05 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3hso h LEU 357 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hso h LEU 357 CO 0.04 1.18 0.11 0.00 0.09 0.00 0.00 178.44 179.86 3hso h ALA 358 N 0.87 0.36 -0.53 1.53 0.00 -0.63 -2.60 119.26 118.27 3hso h ALA 358 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hso h ALA 358 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3hso h ALA 358 CO 0.08 -0.04 0.24 -0.22 0.00 0.00 0.00 179.25 179.31 3hso h LYS 359 N 0.30 0.77 -0.03 0.00 3.64 -0.66 -0.90 116.57 119.67 3hso h LYS 359 Ca 0.09 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hso h LYS 359 Cb 0.18 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3hso h LYS 359 CO -0.01 0.65 -0.00 1.49 -2.27 0.00 0.00 179.45 179.31 3hso h GLU 360 N 0.70 0.01 0.16 1.90 4.81 -1.12 0.26 114.58 121.31 3hso h GLU 360 Ca 0.18 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3hso h GLU 360 Cb 0.15 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3hso h GLU 360 CO -0.02 0.01 -0.17 0.35 -0.73 0.00 0.00 179.01 178.45 3hso h PHE 361 N 0.01 -0.44 0.00 0.92 3.57 -1.14 -1.55 116.94 118.31 3hso h PHE 361 Ca 0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3hso h PHE 361 Cb 0.02 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3hso h PHE 361 CO -0.10 -0.25 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.21 3hso h LEU 362 N -0.36 0.00 -0.75 0.59 3.38 -1.09 0.15 115.31 117.22 3hso h LEU 362 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3hso h LEU 362 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3hso h LEU 362 CO -0.05 0.45 0.28 0.44 0.09 0.00 0.00 178.44 179.65 3hso h ASP 363 N 0.00 1.06 -0.22 -0.43 3.32 -0.80 0.92 116.42 120.26 3hso h ASP 363 Ca -0.00 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3hso h ASP 363 Cb 0.82 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hso h ASP 363 CO 0.06 0.95 0.04 1.56 -1.72 0.00 0.00 179.24 180.13 3hso h GLN 364 N 1.09 0.36 -0.03 3.56 4.20 -0.09 0.43 115.11 124.64 3hso h GLN 364 Ca 0.25 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3hso h GLN 364 Cb 0.24 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3hso h GLN 364 CO -0.02 0.51 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.69 3hso h TYR 365 N 0.16 -0.09 -0.43 2.96 3.20 -0.70 0.04 116.97 122.12 3hso h TYR 365 Ca 0.07 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 3hso h TYR 365 Cb 0.32 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3hso h TYR 365 CO 0.02 -0.06 -0.14 1.88 -1.64 0.00 0.00 178.16 178.22 3hso h TYR 366 N -0.05 0.87 -0.60 -3.82 0.05 -0.69 -2.15 116.97 110.58 3hso h TYR 366 Ca 0.03 -0.17 0.01 0.00 0.05 0.00 0.00 58.73 58.64 3hso h TYR 366 Cb 0.09 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3hso h TYR 366 CO -0.12 0.88 0.40 1.03 -1.05 0.00 0.00 178.16 179.29 3hso h SER 367 N 0.71 0.69 0.10 3.88 0.87 -0.73 -0.96 113.55 118.09 3hso h SER 367 Ca 0.11 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3hso h SER 367 Cb 0.64 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3hso h SER 367 CO 0.04 0.50 -0.17 0.77 -0.53 0.00 0.00 176.83 177.44 3hso h SER 368 N 0.81 0.15 -0.40 6.23 4.64 -0.39 -1.52 113.55 123.07 3hso h SER 368 Ca 0.22 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hso h SER 368 Cb -0.09 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hso h SER 368 CO -0.05 0.33 0.00 2.30 -0.87 0.00 0.00 176.83 178.54 3hso n ILE 369 N -4.27 0.93 -3.70 0.95 -5.35 -0.86 -4.93 119.36 102.12 3hso n ILE 369 Ca -0.01 -0.66 -0.27 0.00 -0.27 0.00 0.00 62.75 61.54 3hso n ILE 369 Cb 0.28 0.07 0.04 0.00 -1.74 0.00 0.00 39.64 38.29 3hso n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hso n LYS 370 N 0.64 -6.20 -0.89 6.28 4.76 -0.57 -4.88 118.16 117.29 3hso n LYS 370 Ca 0.15 0.70 0.05 0.00 -2.87 0.00 0.00 58.31 56.34 3hso n LYS 370 Cb 0.51 -5.64 0.13 0.00 -1.84 0.00 0.00 35.03 28.20 3hso n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hso n ARG 371 N -4.69 0.94 -2.24 1.97 5.12 -0.39 -5.04 116.66 112.32 3hso n ARG 371 Ca 0.02 -2.71 -0.41 0.00 -1.93 0.00 0.00 57.85 52.82 3hso n ARG 371 Cb 0.55 -0.98 -0.03 0.00 -1.16 0.00 0.00 32.46 30.83 3hso n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3hso s PHE 372 N -1.92 3.28 0.00 -1.55 2.19 -1.17 -2.21 117.98 116.60 3hso s PHE 372 Ca 0.35 1.24 0.00 0.00 0.33 0.00 0.00 56.93 58.85 3hso s PHE 372 Cb 0.36 -3.58 0.00 0.00 -1.31 0.00 0.00 43.02 38.49 3hso s PHE 372 CO -0.10 -1.79 0.00 0.41 1.83 0.00 0.00 175.22 175.57 3hso n GLY 373 N 2.43 0.95 3.80 13.12 0.00 -1.26 -5.02 105.19 119.20 3hso n GLY 373 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3hso n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hso s SER 374 N -2.96 4.91 0.27 1.61 1.04 -0.94 -4.77 113.70 112.86 3hso s SER 374 Ca 0.00 1.62 -0.01 0.00 0.48 0.00 0.00 55.95 58.05 3hso s SER 374 Cb 0.00 -2.42 0.54 0.00 0.10 0.00 0.00 66.02 64.24 3hso s SER 374 CO 0.00 -1.74 1.77 0.50 0.98 0.00 0.00 173.24 174.74 3hso h LYS 375 N -0.93 0.64 -0.59 4.02 3.64 -1.96 0.34 116.57 121.73 3hso h LYS 375 Ca -0.44 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 3hso h LYS 375 Cb 1.23 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 3hso h LYS 375 CO 0.55 0.42 0.37 0.00 -2.27 0.00 0.00 179.45 178.52 3hso h ALA 376 N 1.56 0.76 -0.07 5.00 0.00 -1.91 0.33 119.26 124.93 3hso h ALA 376 Ca 0.47 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3hso h ALA 376 Cb 0.65 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hso h ALA 376 CO -0.35 0.11 0.00 1.25 0.00 0.00 0.00 179.25 180.26 3hso h HIS 377 N 0.73 0.00 -0.42 0.00 -0.00 -1.47 -2.28 115.15 111.71 3hso h HIS 377 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.49 3hso h HIS 377 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3hso h HIS 377 CO -0.05 -0.00 -0.20 0.52 -0.00 0.00 0.00 177.93 178.19 3hso h MET 378 N 0.03 0.88 -0.77 5.26 2.86 0.36 -2.16 114.93 121.39 3hso h MET 378 Ca 0.03 -0.38 0.09 0.00 -2.06 0.00 0.00 59.70 57.38 3hso h MET 378 Cb 0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 3hso h MET 378 CO -0.05 1.03 0.42 -0.44 1.06 0.00 0.00 176.91 178.93 3hso h ASP 379 N 0.70 0.60 -0.30 1.22 3.32 -0.38 -1.03 116.42 120.55 3hso h ASP 379 Ca 0.09 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3hso h ASP 379 Cb 0.77 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3hso h ASP 379 CO 0.06 0.35 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.79 3hso h ARG 380 N 0.72 0.56 -0.26 3.56 9.65 -1.16 0.28 114.38 127.73 3hso h ARG 380 Ca 0.37 -0.20 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 3hso h ARG 380 Cb 0.34 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 3hso h ARG 380 CO -0.25 0.73 -0.08 -0.07 2.80 0.00 0.00 179.97 183.11 3hso h LEU 381 N 0.33 -0.27 -0.37 3.80 3.38 -1.17 -1.01 115.31 120.00 3hso h LEU 381 Ca 0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hso h LEU 381 Cb 0.51 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3hso h LEU 381 CO 0.02 -0.10 0.24 -0.08 0.09 0.00 0.00 178.44 178.61 3hso h GLU 382 N -0.02 0.50 -0.67 1.13 4.57 -0.87 -0.32 114.58 118.89 3hso h GLU 382 Ca 0.13 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.34 3hso h GLU 382 Cb 0.21 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 3hso h GLU 382 CO -0.28 0.35 0.35 1.49 -1.18 0.00 0.00 179.01 179.74 3hso h GLU 383 N 0.50 0.61 -0.34 1.92 4.81 -0.14 0.10 114.58 122.03 3hso h GLU 383 Ca 0.14 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3hso h GLU 383 Cb -0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hso h GLU 383 CO -0.03 0.40 -0.23 0.28 -0.73 0.00 0.00 179.01 178.71 3hso h VAL 384 N 0.63 1.29 -0.48 0.32 2.07 -0.82 -1.14 116.25 118.11 3hso h VAL 384 Ca 0.32 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3hso h VAL 384 Cb 0.27 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3hso h VAL 384 CO -0.22 0.45 0.28 -1.13 0.02 0.00 0.00 177.57 176.97 3hso h ASN 385 N 0.54 0.45 -0.64 0.57 -1.24 -0.66 0.13 115.58 114.74 3hso h ASN 385 Ca 0.07 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 3hso h ASN 385 Cb 0.78 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.72 3hso h ASN 385 CO 0.06 0.32 0.16 0.11 -1.29 0.00 0.00 177.43 176.79 3hso h LYS 386 N 0.56 1.04 -0.23 6.67 1.57 -0.88 -1.49 116.57 123.82 3hso h LYS 386 Ca 0.20 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3hso h LYS 386 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3hso h LYS 386 CO -0.10 0.92 0.05 1.49 -0.57 0.00 0.00 179.45 181.24 3hso h GLU 387 N 0.99 0.37 0.03 3.15 4.81 -0.32 -1.02 114.58 122.60 3hso h GLU 387 Ca 0.21 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hso h GLU 387 Cb 0.35 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3hso h GLU 387 CO 0.00 0.49 -0.02 0.82 -0.73 0.00 0.00 179.01 179.58 3hso h ILE 388 N 0.18 1.01 -0.74 2.32 2.04 -0.50 0.57 117.51 122.40 3hso h ILE 388 Ca 0.07 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3hso h ILE 388 Cb 0.29 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3hso h ILE 388 CO 0.00 0.03 0.42 -0.08 0.00 0.00 0.00 178.15 178.53 3hso h GLU 389 N -0.10 0.74 0.19 2.37 4.57 -1.19 0.44 114.58 121.59 3hso h GLU 389 Ca -0.00 -0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 57.87 3hso h GLU 389 Cb 0.09 -0.17 0.03 0.00 -0.16 0.00 0.00 28.75 28.54 3hso h GLU 389 CO 0.01 0.49 -1.18 0.66 -1.18 0.00 0.00 179.01 177.81 3hso h SER 390 N 0.76 0.63 -0.00 1.04 4.64 -0.99 -3.39 113.55 116.23 3hso h SER 390 Ca 0.34 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3hso h SER 390 Cb 0.23 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hso h SER 390 CO -0.20 1.56 -0.50 0.35 -0.87 0.00 0.00 176.83 177.18 3hso n THR 391 N -3.92 0.00 0.00 2.95 -2.24 0.20 -5.00 114.28 106.27 3hso n THR 391 Ca -0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hso n THR 391 Cb 0.96 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 3hso n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hso n SER 392 N -0.82 0.00 -0.26 3.42 7.64 0.15 -4.94 113.62 118.81 3hso n SER 392 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3hso n SER 392 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3hso n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3hso n THR 393 N -2.00 0.00 -3.76 0.44 5.66 -1.26 -4.69 114.28 108.67 3hso n THR 393 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3hso n THR 393 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3hso n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3hso s TYR 394 N -0.92 -0.19 -0.10 1.09 1.13 -1.26 -2.58 117.35 114.52 3hso s TYR 394 Ca 0.00 -0.19 -0.01 0.00 -1.41 0.00 0.00 57.07 55.46 3hso s TYR 394 Cb 0.00 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.40 3hso s TYR 394 CO 0.00 -1.08 -0.04 -0.65 -2.51 0.00 0.00 175.55 171.27 3hso s GLN 395 N -3.89 3.09 0.32 -3.49 -1.52 -1.26 -5.06 119.66 107.86 3hso s GLN 395 Ca 0.10 -0.51 -0.27 0.00 -1.95 0.00 0.00 55.36 52.73 3hso s GLN 395 Cb -0.04 -2.74 -0.09 0.00 -0.22 0.00 0.00 33.01 29.92 3hso s GLN 395 CO 0.01 0.54 1.02 -0.51 -0.25 0.00 0.00 175.29 176.10 3hso s LEU 396 N -0.46 4.38 0.75 2.90 1.43 -1.26 -5.06 118.68 121.36 3hso s LEU 396 Ca 0.07 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3hso s LEU 396 Cb -0.12 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.24 3hso s LEU 396 CO 0.02 -0.19 1.08 -0.54 0.23 0.00 0.00 176.35 176.96 3hso s LYS 397 N -1.90 2.45 0.25 1.70 -0.14 -1.26 -4.81 119.74 116.03 3hso s LYS 397 Ca 0.50 1.14 -0.05 0.00 -1.36 0.00 0.00 55.97 56.19 3hso s LYS 397 Cb -0.24 -1.92 0.28 0.00 -1.68 0.00 0.00 37.83 34.26 3hso s LYS 397 CO 0.31 -1.49 1.87 -0.44 -0.76 0.00 0.00 175.35 174.84 3hso h ASP 398 N -0.95 1.05 -0.48 2.83 5.19 -2.00 -0.45 116.42 121.62 3hso h ASP 398 Ca -0.44 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 55.83 3hso h ASP 398 Cb 1.23 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 3hso h ASP 398 CO 0.53 0.85 0.17 0.71 -3.12 0.00 0.00 179.24 178.38 3hso h THR 399 N 1.17 1.21 -0.18 0.35 1.35 -2.00 -2.36 112.91 112.45 3hso h THR 399 Ca 0.29 -0.71 -0.17 0.00 -0.55 0.00 0.00 66.41 65.27 3hso h THR 399 Cb 0.05 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 3hso h THR 399 CO -0.04 0.27 -0.59 -0.33 -0.25 0.00 0.00 175.52 174.58 3hso h GLU 400 N 0.77 0.58 -0.32 4.72 5.08 -1.64 -2.27 114.58 121.50 3hso h GLU 400 Ca 0.18 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3hso h GLU 400 Cb 0.22 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hso h GLU 400 CO -0.01 1.00 0.15 1.25 -1.00 0.00 0.00 179.01 180.39 3hso h LEU 401 N 0.43 0.43 -0.09 1.33 5.85 -0.92 0.59 115.31 122.94 3hso h LEU 401 Ca 0.00 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3hso h LEU 401 Cb 1.14 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3hso h LEU 401 CO 0.11 0.45 0.05 0.40 -0.34 0.00 0.00 178.44 179.11 3hso h ILE 402 N 0.38 1.09 -0.53 4.05 2.04 -1.39 -0.12 117.51 123.04 3hso h ILE 402 Ca 0.11 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3hso h ILE 402 Cb 0.14 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3hso h ILE 402 CO -0.01 0.08 0.32 0.22 0.00 0.00 0.00 178.15 178.76 3hso h TYR 403 N 0.04 0.70 0.07 1.37 3.20 -1.39 -1.95 116.97 119.00 3hso h TYR 403 Ca 0.03 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3hso h TYR 403 Cb 0.09 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 3hso h TYR 403 CO -0.04 0.48 -0.33 0.78 -1.64 0.00 0.00 178.16 177.41 3hso h GLY 404 N 0.71 -0.59 1.03 1.82 0.00 -0.34 -1.76 103.07 103.93 3hso h GLY 404 Ca 0.19 0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 3hso h GLY 404 CO -0.04 -0.24 0.39 0.00 0.00 0.00 0.00 176.54 176.65 3hso h ALA 405 N 0.15 1.02 -0.70 3.60 0.00 -0.93 -0.68 119.26 121.72 3hso h ALA 405 Ca 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3hso h ALA 405 Cb 0.58 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3hso h ALA 405 CO -0.23 0.58 0.27 0.87 0.00 0.00 0.00 179.25 180.74 3hso h LYS 406 N 1.12 1.03 0.00 0.00 1.57 -1.23 -2.72 116.57 116.35 3hso h LYS 406 Ca 0.27 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 3hso h LYS 406 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3hso h LYS 406 CO -0.04 0.85 -0.84 0.45 -0.57 0.00 0.00 179.45 179.31 3hso h HIS 407 N 1.01 0.08 -0.94 -1.35 3.86 -0.48 0.24 115.15 117.56 3hso h HIS 407 Ca 0.23 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 3hso h HIS 407 Cb 0.21 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 3hso h HIS 407 CO 0.02 0.86 0.61 0.00 0.86 0.00 0.00 177.93 180.28 3hso h ALA 408 N 1.12 1.27 -0.03 2.45 0.00 -0.92 0.26 119.26 123.42 3hso h ALA 408 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hso h ALA 408 Cb 1.47 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hso h ALA 408 CO 0.11 0.44 -0.03 2.35 0.00 0.00 0.00 179.25 182.12 3hso h TRP 409 N 1.15 0.09 -0.98 0.00 7.01 -1.20 -2.24 115.95 119.78 3hso h TRP 409 Ca 0.39 -0.03 0.21 0.00 2.11 0.00 0.00 58.89 61.57 3hso h TRP 409 Cb 0.08 -0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 27.00 3hso h TRP 409 CO -0.01 0.55 0.57 -0.09 -2.79 0.00 0.00 178.44 176.68 3hso h ARG 410 N -0.40 0.63 -0.04 2.65 2.43 -0.47 -1.61 114.38 117.58 3hso h ARG 410 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hso h ARG 410 Cb 0.54 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3hso h ARG 410 CO 0.01 0.42 0.00 0.09 -1.51 0.00 0.00 179.97 178.97 3hso n ASN 411 N -4.85 0.75 -4.55 -3.80 3.02 0.88 -4.84 115.26 101.87 3hso n ASN 411 Ca 0.24 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 3hso n ASN 411 Cb 0.64 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.76 3hso n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hso s ALA 412 N -1.96 2.68 0.44 5.41 0.00 -0.61 -4.69 121.76 123.04 3hso s ALA 412 Ca 0.38 -1.49 0.40 0.00 0.00 0.00 0.00 51.96 51.25 3hso s ALA 412 Cb 0.19 -4.32 2.04 0.00 0.00 0.00 0.00 23.12 21.03 3hso s ALA 412 CO 0.30 -3.43 2.22 0.66 0.00 0.00 0.00 175.76 175.52 3hso h SER 413 N 10.39 0.00 -0.02 0.00 4.64 -1.89 -1.68 113.55 124.99 3hso h SER 413 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3hso h SER 413 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3hso h SER 413 CO 1.30 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 177.80 3hso n ARG 414 N -3.05 1.99 -3.38 4.77 1.74 -1.26 -0.48 116.66 116.99 3hso n ARG 414 Ca -0.02 -1.46 -0.40 0.00 -0.77 0.00 0.00 57.85 55.21 3hso n ARG 414 Cb 0.15 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 3hso n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hso h VAL 416 N 5.48 0.00 -0.16 0.00 3.04 -1.89 -3.33 116.25 119.39 3hso h VAL 416 Ca -0.30 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3hso h VAL 416 Cb 1.15 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3hso h VAL 416 CO 0.68 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.85 3hso n GLY 417 N 1.00 1.23 0.00 3.17 0.00 -1.26 -4.54 105.19 104.80 3hso n GLY 417 Ca 0.05 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hso n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hso n ARG 418 N 0.12 0.29 0.09 1.61 1.74 -1.25 -2.05 116.66 117.21 3hso n ARG 418 Ca 0.07 0.05 0.20 0.00 -0.77 0.00 0.00 57.85 57.40 3hso n ARG 418 Cb 0.38 -1.50 0.75 0.00 -1.02 0.00 0.00 32.46 31.08 3hso n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hso h ILE 419 N 0.00 0.46 -0.00 0.55 2.10 -1.89 -0.94 117.51 117.79 3hso h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hso h ILE 419 Cb 0.27 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 3hso h ILE 419 CO 0.00 0.00 -0.04 0.00 -1.08 0.00 0.00 178.15 177.03 3hso n GLN 420 N -3.86 0.88 -0.16 2.19 1.13 -0.87 -4.63 117.38 112.05 3hso n GLN 420 Ca 0.07 -0.20 0.13 0.00 -1.94 0.00 0.00 57.00 55.06 3hso n GLN 420 Cb 0.57 -1.50 0.47 0.00 0.11 0.00 0.00 30.24 29.90 3hso n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3hso h TRP 421 N 0.49 0.54 0.00 1.08 5.08 -1.38 0.15 115.95 121.91 3hso h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hso h TRP 421 Cb 0.23 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3hso h TRP 421 CO 0.00 0.23 0.00 -1.13 -1.28 0.00 0.00 178.44 176.26 3hso n SER 422 N -4.49 0.00 -4.20 0.11 3.41 -1.26 -4.27 113.62 102.92 3hso n SER 422 Ca 0.13 0.48 -0.41 0.00 -0.26 0.00 0.00 58.87 58.81 3hso n SER 422 Cb 0.45 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 3hso n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hso s LYS 423 N -2.99 3.20 -0.05 4.33 3.01 0.52 -5.00 119.74 122.77 3hso s LYS 423 Ca 0.13 -2.70 -0.02 0.00 -1.01 0.00 0.00 55.97 52.37 3hso s LYS 423 Cb 0.18 -4.09 0.03 0.00 -1.01 0.00 0.00 37.83 32.94 3hso s LYS 423 CO 0.49 -1.24 0.09 -1.17 0.51 0.00 0.00 175.35 174.03 3hso s LEU 424 N -0.32 0.52 -0.29 3.17 2.96 -1.26 -4.65 118.68 118.81 3hso s LEU 424 Ca 0.20 0.16 -0.26 0.00 -0.22 0.00 0.00 54.13 54.01 3hso s LEU 424 Cb -0.14 0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.62 3hso s LEU 424 CO -0.07 -0.19 0.93 -1.58 -1.32 0.00 0.00 176.35 174.12 3hso s GLN 425 N 1.63 4.06 -0.28 1.98 2.00 -0.68 -4.98 119.66 123.40 3hso s GLN 425 Ca -0.03 0.91 -0.10 0.00 -2.00 0.00 0.00 55.36 54.14 3hso s GLN 425 Cb -0.12 -3.71 -0.03 0.00 0.80 0.00 0.00 33.01 29.94 3hso s GLN 425 CO -0.04 -0.74 0.16 0.08 -0.50 0.00 0.00 175.29 174.25 3hso s VAL 426 N 3.24 4.92 -0.34 1.34 1.01 -1.26 -0.61 120.40 128.70 3hso s VAL 426 Ca 0.39 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 3hso s VAL 426 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3hso s VAL 426 CO 0.12 0.21 0.24 -0.36 0.00 0.00 0.00 175.10 175.32 3hso s PHE 427 N 1.69 3.23 -0.66 5.22 0.08 0.01 -4.98 117.98 122.57 3hso s PHE 427 Ca 0.06 -0.19 -0.24 0.00 0.12 0.00 0.00 56.93 56.68 3hso s PHE 427 Cb -0.16 -2.48 0.05 0.00 -0.57 0.00 0.00 43.02 39.87 3hso s PHE 427 CO 0.08 -0.35 1.05 0.34 -0.10 0.00 0.00 175.22 176.23 3hso s ASP 428 N 1.72 6.21 -0.40 1.36 -1.08 -1.26 -1.18 116.67 122.04 3hso s ASP 428 Ca 0.06 -0.72 0.06 0.00 -0.52 0.00 0.00 52.55 51.43 3hso s ASP 428 Cb -0.17 -2.46 0.64 0.00 -1.46 0.00 0.00 42.92 39.46 3hso s ASP 428 CO 0.11 -1.51 1.81 0.00 0.52 0.00 0.00 175.17 176.10 3hso n ALA 429 N 8.11 5.23 0.60 3.66 0.00 0.60 -4.64 120.51 134.06 3hso n ALA 429 Ca -0.01 -2.91 0.10 0.00 0.00 0.00 0.00 53.44 50.62 3hso n ALA 429 Cb 0.47 -1.27 0.43 0.00 0.00 0.00 0.00 19.45 19.08 3hso n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hso n ARG 430 N -1.07 0.08 -0.01 0.00 1.74 -1.10 -1.69 116.66 114.61 3hso n ARG 430 Ca 0.52 0.23 0.14 0.00 -0.77 0.00 0.00 57.85 57.97 3hso n ARG 430 Cb 1.51 -1.62 0.70 0.00 -1.02 0.00 0.00 32.46 32.03 3hso n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hso n ASP 431 N -1.76 0.62 -4.77 0.55 5.68 -1.26 -4.56 116.55 111.06 3hso n ASP 431 Ca 0.04 -1.29 -0.40 0.00 -0.50 0.00 0.00 54.79 52.64 3hso n ASP 431 Cb 0.25 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3hso n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hso n THR 433 N 0.80 0.00 -4.30 0.00 -2.24 -1.26 -4.74 114.28 102.55 3hso n THR 433 Ca 0.00 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3hso n THR 433 Cb 0.44 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 3hso n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hso s THR 434 N -0.94 0.86 0.27 4.28 -4.23 -1.26 -4.57 115.64 110.06 3hso s THR 434 Ca 0.00 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 3hso s THR 434 Cb 0.00 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.55 3hso s THR 434 CO 0.00 -0.34 1.65 0.00 -0.54 0.00 0.00 174.62 175.40 3hso h ALA 435 N 2.54 1.02 -0.67 3.99 0.00 -1.90 -0.38 119.26 123.86 3hso h ALA 435 Ca -0.38 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.01 3hso h ALA 435 Cb 1.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3hso h ALA 435 CO 0.63 0.63 0.14 0.45 0.00 0.00 0.00 179.25 181.11 3hso h HIS 436 N 0.21 1.13 -0.85 0.00 3.86 -1.96 -0.30 115.15 117.23 3hso h HIS 436 Ca 0.01 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3hso h HIS 436 Cb 0.91 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 3hso h HIS 436 CO 0.02 0.93 0.55 0.78 0.86 0.00 0.00 177.93 181.07 3hso h GLY 437 N 1.06 1.22 1.03 2.45 0.00 -1.72 -2.00 103.07 105.10 3hso h GLY 437 Ca 0.21 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3hso h GLY 437 CO 0.01 0.46 -0.04 -0.33 0.00 0.00 0.00 176.54 176.64 3hso h MET 438 N 1.16 0.92 -0.65 4.80 0.00 -0.73 -1.59 114.93 118.84 3hso h MET 438 Ca 0.31 -0.31 0.11 0.00 0.00 0.00 0.00 59.70 59.81 3hso h MET 438 Cb -0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 31.60 31.34 3hso h MET 438 CO -0.06 0.96 0.24 0.35 0.00 0.00 0.00 176.91 178.40 3hso h PHE 439 N 0.78 0.41 -0.29 -0.22 3.57 -0.78 -0.16 116.94 120.25 3hso h PHE 439 Ca 0.14 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3hso h PHE 439 Cb 0.57 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3hso h PHE 439 CO 0.04 0.08 -0.07 -0.97 -2.23 0.00 0.00 178.31 175.17 3hso h ASN 440 N 0.41 0.57 -0.95 0.41 -1.24 -0.98 -0.55 115.58 113.24 3hso h ASN 440 Ca 0.34 -0.36 0.11 0.00 0.71 0.00 0.00 56.30 57.10 3hso h ASN 440 Cb 0.46 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 39.28 3hso h ASN 440 CO -0.34 0.80 0.61 1.88 -1.29 0.00 0.00 177.43 179.08 3hso h TYR 441 N 0.33 1.03 0.04 0.67 0.05 -1.00 -1.85 116.97 116.24 3hso h TYR 441 Ca 0.08 0.03 -0.23 0.00 0.05 0.00 0.00 58.73 58.65 3hso h TYR 441 Cb 0.55 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 3hso h TYR 441 CO 0.05 0.44 -1.03 0.82 -1.05 0.00 0.00 178.16 177.39 3hso h ILE 442 N 0.92 1.46 -0.54 -2.88 2.04 -0.57 -1.90 117.51 116.05 3hso h ILE 442 Ca 0.46 -2.70 -0.01 0.00 1.00 0.00 0.00 64.86 63.61 3hso h ILE 442 Cb 0.48 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 3hso h ILE 442 CO -0.22 0.80 0.30 0.00 0.00 0.00 0.00 178.15 179.02 3hso h ASN 444 N 0.72 1.11 -0.09 0.00 2.35 -1.04 -1.57 115.58 117.07 3hso h ASN 444 Ca 0.19 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3hso h ASN 444 Cb 0.04 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 3hso h ASN 444 CO -0.03 0.97 0.06 -0.74 -1.65 0.00 0.00 177.43 176.04 3hso h HIS 445 N 1.17 0.11 -0.73 1.19 -0.00 -1.10 -0.00 115.15 115.79 3hso h HIS 445 Ca 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.62 3hso h HIS 445 Cb 0.21 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 3hso h HIS 445 CO 0.02 0.08 0.35 0.28 -0.00 0.00 0.00 177.93 178.66 3hso h VAL 446 N 0.11 1.23 -0.05 5.26 2.07 -0.92 0.16 116.25 124.11 3hso h VAL 446 Ca 0.03 -0.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 3hso h VAL 446 Cb -0.01 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3hso h VAL 446 CO -0.01 0.28 -0.42 0.50 0.02 0.00 0.00 177.57 177.94 3hso h LYS 447 N 1.04 0.37 0.43 1.57 3.64 -1.12 -0.88 116.57 121.63 3hso h LYS 447 Ca 0.25 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3hso h LYS 447 Cb 0.11 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3hso h LYS 447 CO -0.03 0.99 -0.34 -0.92 -2.27 0.00 0.00 179.45 176.88 3hso h TYR 448 N -0.14 -0.90 -0.41 1.91 3.20 -0.71 -1.30 116.97 118.62 3hso h TYR 448 Ca -0.04 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.86 3hso h TYR 448 Cb 1.10 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 3hso h TYR 448 CO 0.14 -0.49 0.20 0.00 -1.64 0.00 0.00 178.16 176.36 3hso h ALA 449 N -0.32 0.51 0.29 1.82 0.00 -0.75 -3.09 119.26 117.73 3hso h ALA 449 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hso h ALA 449 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hso h ALA 449 CO -0.00 -0.17 -0.14 1.15 0.00 0.00 0.00 179.25 180.09 3hso h THR 450 N 0.40 0.72 -6.23 0.00 2.02 -1.11 0.14 112.91 108.84 3hso h THR 450 Ca 0.18 -0.03 -0.45 0.00 0.77 0.00 0.00 66.41 66.87 3hso h THR 450 Cb 0.10 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3hso h THR 450 CO -0.13 0.01 -0.79 -3.20 0.37 0.00 0.00 175.52 171.77 3hso n ASN 451 N -5.25 -3.08 -2.11 4.18 5.15 -0.50 -1.01 115.26 112.64 3hso n ASN 451 Ca -0.10 -0.81 -0.18 0.00 -0.60 0.00 0.00 54.58 52.89 3hso n ASN 451 Cb 0.18 -3.91 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 3hso n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hso n LYS 452 N -4.50 -1.70 0.00 1.20 5.02 -1.26 -2.02 118.16 114.89 3hso n LYS 452 Ca -0.12 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3hso n LYS 452 Cb 0.60 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3hso n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hso n GLY 453 N -0.74 2.65 3.41 0.72 0.00 -0.18 -4.93 105.19 106.12 3hso n GLY 453 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3hso n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hso n ASN 454 N 0.00 5.16 -4.78 1.61 5.15 -0.86 -1.22 115.26 120.33 3hso n ASN 454 Ca 0.00 -2.98 -0.41 0.00 -0.60 0.00 0.00 54.58 50.59 3hso n ASN 454 Cb 0.00 -1.58 -0.00 0.00 -0.53 0.00 0.00 39.78 37.66 3hso n ASN 454 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hso s LEU 455 N 1.71 4.31 -0.07 1.20 1.02 -1.25 -4.51 118.68 121.10 3hso s LEU 455 Ca 0.44 3.01 0.03 0.00 0.02 0.00 0.00 54.13 57.62 3hso s LEU 455 Cb -0.01 -3.69 0.01 0.00 0.02 0.00 0.00 46.19 42.52 3hso s LEU 455 CO 0.01 -0.87 -0.16 -0.13 0.02 0.00 0.00 176.35 175.22 3hso s ARG 456 N -2.10 2.02 0.25 1.70 0.52 0.49 -5.00 118.95 116.83 3hso s ARG 456 Ca 0.53 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 3hso s ARG 456 Cb -0.46 -1.63 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 3hso s ARG 456 CO 0.62 0.11 1.35 -1.54 0.02 0.00 0.00 175.30 175.85 3hso s SER 457 N 0.46 6.80 0.12 0.23 1.04 -1.26 -4.42 113.70 116.67 3hso s SER 457 Ca -0.13 2.56 -0.16 0.00 0.48 0.00 0.00 55.95 58.69 3hso s SER 457 Cb -0.15 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.38 3hso s SER 457 CO 0.05 -0.57 0.40 0.00 0.98 0.00 0.00 173.24 174.09 3hso s ALA 458 N -0.29 -0.93 -0.02 5.32 0.00 -0.61 -1.68 121.76 123.55 3hso s ALA 458 Ca 0.55 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3hso s ALA 458 Cb -0.39 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3hso s ALA 458 CO 0.44 -0.63 -0.04 -1.50 0.00 0.00 0.00 175.76 174.03 3hso s ILE 459 N -3.70 0.40 -0.19 0.00 2.07 0.22 -1.25 121.20 118.75 3hso s ILE 459 Ca 0.02 -0.14 -0.04 0.00 -1.41 0.00 0.00 60.65 59.09 3hso s ILE 459 Cb 0.02 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 3hso s ILE 459 CO -0.11 0.15 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.13 3hso s THR 460 N 0.33 3.58 -0.37 4.00 2.01 -0.43 -0.81 115.64 123.94 3hso s THR 460 Ca -0.04 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 3hso s THR 460 Cb -0.07 -2.60 0.08 0.00 0.01 0.00 0.00 72.50 69.92 3hso s THR 460 CO -0.00 0.45 0.15 -0.63 -0.69 0.00 0.00 174.62 173.90 3hso s ILE 461 N 0.98 3.54 0.68 1.82 1.01 -0.32 -3.23 121.20 125.67 3hso s ILE 461 Ca 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 60.65 58.99 3hso s ILE 461 Cb -0.15 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.17 3hso s ILE 461 CO 0.01 -0.43 1.00 -0.36 0.00 0.00 0.00 174.94 175.16 3hso s PHE 462 N 1.28 3.09 0.49 3.97 0.08 -0.93 -0.30 117.98 125.67 3hso s PHE 462 Ca 0.02 0.63 -0.23 0.00 0.12 0.00 0.00 56.93 57.47 3hso s PHE 462 Cb -0.22 -3.05 -0.08 0.00 -0.57 0.00 0.00 43.02 39.11 3hso s PHE 462 CO -0.01 -1.21 1.11 -2.30 -0.10 0.00 0.00 175.22 172.71 3hso n PRO 463 N -2.86 1.42 -1.21 0.24 -0.02 -1.26 -4.73 135.00 126.58 3hso n PRO 463 Ca 0.07 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 3hso n PRO 463 Cb 0.59 -2.24 0.11 0.00 -0.02 0.00 0.00 33.50 31.94 3hso n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3hso s GLN 464 N -2.39 1.94 0.37 -0.52 -2.07 -1.26 -4.53 119.66 111.19 3hso s GLN 464 Ca 0.67 1.11 -0.28 0.00 -1.82 0.00 0.00 55.36 55.04 3hso s GLN 464 Cb -0.48 -1.86 -0.11 0.00 -1.09 0.00 0.00 33.01 29.47 3hso s GLN 464 CO 0.53 -1.85 1.42 0.50 -1.32 0.00 0.00 175.29 174.57 3hso s ARG 465 N -4.90 4.17 0.00 9.60 3.52 0.14 -4.90 118.95 126.58 3hso s ARG 465 Ca 0.62 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.66 3hso s ARG 465 Cb -0.18 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 3hso s ARG 465 CO 0.56 -0.43 0.00 0.25 -0.81 0.00 0.00 175.30 174.87 3hso n THR 466 N 0.53 0.00 0.29 4.11 -2.24 -1.26 -4.76 114.28 110.95 3hso n THR 466 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 3hso n THR 466 Cb 0.40 -0.46 0.20 0.00 -2.10 0.00 0.00 70.33 68.37 3hso n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hso n ASP 467 N -0.71 3.34 0.00 3.42 5.75 -1.26 -4.86 116.55 122.22 3hso n ASP 467 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 3hso n ASP 467 Cb 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3hso n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hso n GLY 468 N 1.38 1.44 0.39 6.12 0.00 -1.26 -4.78 105.19 108.47 3hso n GLY 468 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3hso n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hso n LYS 469 N -2.00 1.54 -2.03 1.61 5.02 -1.26 -4.57 118.16 116.46 3hso n LYS 469 Ca 0.00 -0.84 -0.11 0.00 -2.02 0.00 0.00 58.31 55.34 3hso n LYS 469 Cb 0.00 -1.33 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 3hso n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hso n HIS 470 N -0.13 1.78 -2.42 2.13 8.25 -1.26 -4.32 115.22 119.24 3hso n HIS 470 Ca 0.07 -1.98 -0.40 0.00 -0.26 0.00 0.00 57.72 55.15 3hso n HIS 470 Cb 0.37 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.16 3hso n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hso s ASP 471 N -3.50 7.15 -0.01 0.41 1.11 -1.26 -3.28 116.67 117.29 3hso s ASP 471 Ca 0.41 2.33 -0.22 0.00 0.18 0.00 0.00 52.55 55.25 3hso s ASP 471 Cb 0.38 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 41.69 3hso s ASP 471 CO -0.01 -0.23 0.67 -0.36 1.18 0.00 0.00 175.17 176.41 3hso s PHE 472 N -1.18 3.66 -0.01 4.23 0.40 -1.26 -1.47 117.98 122.34 3hso s PHE 472 Ca 0.46 1.28 -0.02 0.00 -0.60 0.00 0.00 56.93 58.05 3hso s PHE 472 Cb -0.33 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.49 3hso s PHE 472 CO 0.42 0.26 0.05 1.03 0.70 0.00 0.00 175.22 177.68 3hso s ARG 473 N 0.13 0.13 -0.25 0.44 1.81 -0.69 -3.09 118.95 117.43 3hso s ARG 473 Ca 0.35 -0.05 -0.14 0.00 -1.72 0.00 0.00 55.73 54.17 3hso s ARG 473 Cb -0.19 0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 3hso s ARG 473 CO 0.19 -0.02 0.30 0.08 -0.68 0.00 0.00 175.30 175.17 3hso s VAL 474 N -0.27 5.24 0.16 3.52 1.01 -1.26 -1.49 120.40 127.31 3hso s VAL 474 Ca -0.03 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.47 3hso s VAL 474 Cb -0.02 -3.64 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 3hso s VAL 474 CO 0.00 0.23 1.37 -0.50 0.00 0.00 0.00 175.10 176.20 3hso h TRP 475 N 7.95 0.03 -3.05 5.22 4.06 -1.51 -3.43 115.95 125.22 3hso h TRP 475 Ca -0.34 -0.02 -0.58 0.00 2.06 0.00 0.00 58.89 60.01 3hso h TRP 475 Cb 1.17 -0.00 0.12 0.00 -1.00 0.00 0.00 29.16 29.45 3hso h TRP 475 CO 0.73 0.90 0.29 0.09 -3.56 0.00 0.00 178.44 176.89 3hso n ASN 476 N -3.50 1.84 0.04 -3.49 4.13 -1.26 -4.94 115.26 108.09 3hso n ASN 476 Ca -0.01 1.13 -0.15 0.00 1.68 0.00 0.00 54.58 57.23 3hso n ASN 476 Cb 0.85 -1.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.65 3hso n ASN 476 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3hso h SER 477 N 1.99 0.69 -4.29 6.41 0.02 -1.90 -3.36 113.55 113.10 3hso h SER 477 Ca -0.44 -0.51 -0.37 0.00 -0.84 0.00 0.00 61.79 59.62 3hso h SER 477 Cb 1.32 -0.21 -0.19 0.00 0.14 0.00 0.00 62.40 63.46 3hso h SER 477 CO 0.60 1.30 -0.75 -1.10 -1.14 0.00 0.00 176.83 175.73 3hso s GLN 478 N -3.45 0.89 0.29 3.45 -0.21 -1.26 -0.34 119.66 119.04 3hso s GLN 478 Ca -0.08 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.17 3hso s GLN 478 Cb 0.09 -0.73 0.48 0.00 1.00 0.00 0.00 33.01 33.85 3hso s GLN 478 CO 0.88 0.14 1.91 -0.07 -2.12 0.00 0.00 175.29 176.03 3hso h LEU 479 N 3.74 0.95 -8.05 2.90 3.38 -1.33 -3.39 115.31 113.51 3hso h LEU 479 Ca -0.39 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.96 3hso h LEU 479 Cb 1.19 -0.20 -0.35 0.00 0.09 0.00 0.00 40.66 41.39 3hso h LEU 479 CO 0.49 0.62 -0.85 -0.63 0.09 0.00 0.00 178.44 178.16 3hso s ILE 480 N -5.94 1.75 0.13 1.22 1.01 -1.26 -4.85 121.20 113.25 3hso s ILE 480 Ca -0.12 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.51 3hso s ILE 480 Cb 0.20 -1.58 0.08 0.00 0.01 0.00 0.00 42.46 41.16 3hso s ILE 480 CO 0.80 0.49 0.66 -0.13 0.00 0.00 0.00 174.94 176.76 3hso s ARG 481 N 1.05 1.19 0.01 2.79 0.52 -1.26 -4.80 118.95 118.45 3hso s ARG 481 Ca -0.03 -0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 54.67 3hso s ARG 481 Cb -0.15 0.55 -0.05 0.00 0.52 0.00 0.00 34.95 35.82 3hso s ARG 481 CO -0.04 -0.52 0.28 0.71 0.02 0.00 0.00 175.30 175.75 3hso s TYR 482 N -3.62 3.59 0.64 -0.53 2.02 -1.26 -1.24 117.35 116.95 3hso s TYR 482 Ca 0.02 0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 57.17 3hso s TYR 482 Cb -0.01 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3hso s TYR 482 CO -0.12 0.61 1.14 0.00 -1.57 0.00 0.00 175.55 175.61 3hso s ALA 483 N -1.28 2.47 0.01 3.71 0.00 -0.08 -4.44 121.76 122.15 3hso s ALA 483 Ca 0.27 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.99 3hso s ALA 483 Cb -0.13 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3hso s ALA 483 CO 0.15 -1.25 -0.18 0.20 0.00 0.00 0.00 175.76 174.68 3hso s GLY 484 N -2.23 0.90 -0.14 0.00 0.00 -1.22 -1.09 107.32 103.55 3hso s GLY 484 Ca 0.70 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 3hso s GLY 484 CO 0.38 -0.73 -0.01 -0.19 0.00 0.00 0.00 173.10 172.55 3hso s TYR 485 N -0.56 1.11 0.01 1.90 2.02 0.41 -4.20 117.35 118.04 3hso s TYR 485 Ca 0.06 -0.68 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 3hso s TYR 485 Cb -0.07 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3hso s TYR 485 CO 0.00 -0.51 1.10 0.21 -1.57 0.00 0.00 175.55 174.78 3hso s LYS 486 N 1.83 4.47 0.32 -0.62 2.47 -1.26 -0.83 119.74 126.12 3hso s LYS 486 Ca 0.02 1.60 -0.04 0.00 -1.56 0.00 0.00 55.97 55.99 3hso s LYS 486 Cb -0.15 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.75 3hso s LYS 486 CO -0.07 -0.21 0.57 -0.65 0.16 0.00 0.00 175.35 175.16 3hso s GLN 487 N 1.27 3.59 0.50 4.03 -1.52 0.71 -4.96 119.66 123.28 3hso s GLN 487 Ca 0.55 -0.06 0.21 0.00 -1.95 0.00 0.00 55.36 54.11 3hso s GLN 487 Cb -0.25 -2.62 1.28 0.00 -0.22 0.00 0.00 33.01 31.20 3hso s GLN 487 CO 0.27 0.16 2.01 -1.35 -0.25 0.00 0.00 175.29 176.13 3hso h PRO 488 N 1.31 0.10 0.00 2.91 0.11 -1.96 0.32 132.00 134.80 3hso h PRO 488 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hso h PRO 488 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hso h PRO 488 CO 0.65 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 3hso n ASP 489 N -4.43 0.00 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.59 3hso n ASP 489 Ca 0.08 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 3hso n ASP 489 Cb 0.47 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3hso n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hso n GLY 490 N 0.68 1.22 3.77 6.12 0.00 0.11 -5.05 105.19 112.05 3hso n GLY 490 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3hso n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hso s SER 491 N -2.40 4.12 -0.08 1.61 1.04 -1.26 -4.77 113.70 111.96 3hso s SER 491 Ca 0.00 1.43 0.04 0.00 0.48 0.00 0.00 55.95 57.89 3hso s SER 491 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 3hso s SER 491 CO 0.00 -2.22 -0.20 -0.89 0.98 0.00 0.00 173.24 170.91 3hso s THR 492 N -3.05 2.46 -0.12 2.02 2.01 -1.26 -0.21 115.64 117.49 3hso s THR 492 Ca 0.62 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 3hso s THR 492 Cb -0.16 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3hso s THR 492 CO 0.55 0.56 0.23 -0.22 -0.69 0.00 0.00 174.62 175.05 3hso s LEU 493 N -0.01 4.33 0.00 4.42 2.96 -0.01 -4.94 118.68 125.42 3hso s LEU 493 Ca -0.06 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3hso s LEU 493 Cb -0.15 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3hso s LEU 493 CO 0.05 0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.95 3hso n GLY 494 N 2.64 -0.08 3.50 7.98 0.00 -1.26 -0.45 105.19 117.52 3hso n GLY 494 Ca -0.16 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 3hso n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hso s ASP 495 N -4.00 6.23 0.56 1.61 -1.08 -0.25 -4.81 116.67 114.94 3hso s ASP 495 Ca 0.00 -0.50 0.29 0.00 -0.52 0.00 0.00 52.55 51.82 3hso s ASP 495 Cb 0.00 -2.24 1.68 0.00 -1.46 0.00 0.00 42.92 40.90 3hso s ASP 495 CO 0.00 -0.59 2.18 -0.65 0.52 0.00 0.00 175.17 176.63 3hso h PRO 496 N 8.71 0.00 0.00 4.34 0.11 -1.82 -1.00 132.00 142.33 3hso h PRO 496 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hso h PRO 496 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hso h PRO 496 CO 0.80 0.05 -0.00 0.00 -0.21 0.00 0.00 178.00 178.64 3hso h ALA 497 N 1.95 1.89 -0.33 -0.75 0.00 -1.93 -3.02 119.26 117.08 3hso h ALA 497 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hso h ALA 497 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hso h ALA 497 CO 0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3hso n ASN 498 N -4.39 3.86 -0.13 0.00 3.02 -0.38 -4.63 115.26 112.61 3hso n ASN 498 Ca -0.03 -2.74 -0.06 0.00 -0.03 0.00 0.00 54.58 51.72 3hso n ASN 498 Cb 0.09 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 3hso n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hso h VAL 499 N 2.17 1.00 0.12 2.41 2.07 -1.59 0.87 116.25 123.30 3hso h VAL 499 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hso h VAL 499 Cb 1.32 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3hso h VAL 499 CO 0.19 0.08 -0.06 -0.61 0.02 0.00 0.00 177.57 177.20 3hso h GLN 500 N 0.46 -0.16 -0.38 1.57 4.15 -1.85 -1.60 115.11 117.31 3hso h GLN 500 Ca 0.18 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 3hso h GLN 500 Cb 0.06 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3hso h GLN 500 CO -0.11 -0.04 -0.02 0.35 -1.93 0.00 0.00 178.83 177.08 3hso h PHE 501 N -0.24 0.64 -0.74 3.99 3.57 -1.85 -2.30 116.94 120.01 3hso h PHE 501 Ca -0.02 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3hso h PHE 501 Cb 0.19 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3hso h PHE 501 CO -0.05 0.63 0.43 1.15 -2.23 0.00 0.00 178.31 178.24 3hso h THR 502 N 0.57 1.22 -0.69 4.41 2.02 -0.58 -1.18 112.91 118.68 3hso h THR 502 Ca 0.12 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3hso h THR 502 Cb 0.39 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3hso h THR 502 CO 0.02 0.23 0.32 -0.33 0.37 0.00 0.00 175.52 176.13 3hso h GLU 503 N 1.02 0.99 -0.37 6.66 5.08 -0.87 -0.59 114.58 126.50 3hso h GLU 503 Ca 0.26 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3hso h GLU 503 Cb -0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3hso h GLU 503 CO -0.05 0.77 0.08 0.82 -1.00 0.00 0.00 179.01 179.64 3hso h ILE 504 N 0.98 1.23 -0.19 3.13 2.04 -1.15 -1.32 117.51 122.24 3hso h ILE 504 Ca 0.24 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3hso h ILE 504 Cb 0.12 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hso h ILE 504 CO -0.03 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.51 3hso h ILE 506 N 0.25 0.84 -0.87 0.00 2.04 -1.05 -0.99 117.51 117.74 3hso h ILE 506 Ca 0.07 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3hso h ILE 506 Cb -0.03 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 3hso h ILE 506 CO -0.02 0.03 0.54 -0.61 0.00 0.00 0.00 178.15 178.09 3hso h GLN 507 N 0.15 0.95 0.00 2.37 4.15 -0.79 -0.57 115.11 121.37 3hso h GLN 507 Ca 0.14 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hso h GLN 507 Cb 0.16 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3hso h GLN 507 CO -0.20 0.63 0.00 1.96 -1.93 0.00 0.00 178.83 179.29 3hso h GLN 508 N 0.98 0.00 0.00 1.69 1.08 -0.38 -3.46 115.11 115.02 3hso h GLN 508 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 3hso h GLN 508 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3hso h GLN 508 CO -0.18 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.11 3hso n GLY 509 N 0.06 0.43 3.68 3.46 0.00 -0.22 -4.97 105.19 107.63 3hso n GLY 509 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 3hso n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3hso n TRP 510 N 0.00 2.36 -3.01 1.61 -0.00 -0.56 -4.95 117.44 112.89 3hso n TRP 510 Ca 0.00 0.28 -0.44 0.00 -0.00 0.00 0.00 57.50 57.34 3hso n TRP 510 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 31.31 28.73 3hso n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3hso s LYS 511 N 0.49 3.25 -0.02 5.87 1.02 -1.26 -4.45 119.74 124.65 3hso s LYS 511 Ca 0.74 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 3hso s LYS 511 Cb -0.63 -4.44 -0.04 0.00 -0.52 0.00 0.00 37.83 32.20 3hso s LYS 511 CO 0.41 -1.66 1.18 0.00 -0.92 0.00 0.00 175.35 174.36 3hso s ALA 512 N 2.86 3.43 -0.33 5.17 0.00 -1.26 -4.92 121.76 126.72 3hso s ALA 512 Ca 0.20 0.68 0.22 0.00 0.00 0.00 0.00 51.96 53.06 3hso s ALA 512 Cb -0.16 -3.48 1.07 0.00 0.00 0.00 0.00 23.12 20.55 3hso s ALA 512 CO 0.02 -0.61 1.66 -2.30 0.00 0.00 0.00 175.76 174.53 3hso n PRO 513 N 4.70 0.16 -3.99 0.00 -0.02 -1.26 -4.92 135.00 129.67 3hso n PRO 513 Ca 0.10 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 3hso n PRO 513 Cb 0.47 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3hso n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hso n ARG 514 N -2.23 -1.87 -1.50 -0.52 1.74 -1.26 -5.01 116.66 106.01 3hso n ARG 514 Ca -0.00 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3hso n ARG 514 Cb 0.10 -3.91 0.00 0.00 -1.02 0.00 0.00 32.46 27.64 3hso n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hso n GLY 515 N -2.07 3.38 0.11 -0.13 0.00 -1.26 -5.06 105.19 100.16 3hso n GLY 515 Ca -0.24 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.68 3hso n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hso n ARG 516 N -0.39 0.61 -3.12 1.61 0.63 -1.26 -4.30 116.66 110.44 3hso n ARG 516 Ca 0.00 0.16 -0.21 0.00 -0.92 0.00 0.00 57.85 56.89 3hso n ARG 516 Cb 0.00 -1.82 -0.03 0.00 0.45 0.00 0.00 32.46 31.06 3hso n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hso n PHE 517 N -2.77 1.30 -3.21 -0.14 3.72 -1.26 -4.17 117.46 110.94 3hso n PHE 517 Ca -0.04 -3.87 -0.40 0.00 -0.05 0.00 0.00 57.45 53.09 3hso n PHE 517 Cb 0.67 -0.44 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 3hso n PHE 517 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hso s ASP 518 N -2.70 6.44 0.07 4.37 1.01 -1.26 -4.94 116.67 119.67 3hso s ASP 518 Ca 0.42 0.47 -0.31 0.00 0.71 0.00 0.00 52.55 53.85 3hso s ASP 518 Cb 0.32 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.88 3hso s ASP 518 CO -0.10 -0.33 1.77 -0.69 0.21 0.00 0.00 175.17 176.02 3hso s VAL 519 N 2.37 2.92 0.58 -1.27 1.01 -1.26 -0.90 120.40 123.85 3hso s VAL 519 Ca 0.22 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 3hso s VAL 519 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3hso s VAL 519 CO 0.10 -0.01 1.10 -0.76 0.00 0.00 0.00 175.10 175.53 3hso s LEU 520 N 3.12 3.60 0.62 3.92 1.43 -0.37 -4.88 118.68 126.12 3hso s LEU 520 Ca 0.79 2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 55.78 3hso s LEU 520 Cb -0.42 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.21 3hso s LEU 520 CO 0.35 -1.29 1.04 -2.16 0.23 0.00 0.00 176.35 174.51 3hso s PRO 521 N -3.68 3.37 0.23 1.29 0.04 -1.26 -4.74 135.00 130.24 3hso s PRO 521 Ca 0.69 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3hso s PRO 521 Cb -0.21 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3hso s PRO 521 CO 0.33 -0.76 1.00 -0.51 0.04 0.00 0.00 177.00 177.10 3hso s LEU 522 N -4.96 4.59 -0.29 -3.56 1.43 0.77 -4.89 118.68 111.77 3hso s LEU 522 Ca 0.59 2.02 0.03 0.00 -1.03 0.00 0.00 54.13 55.74 3hso s LEU 522 Cb -0.13 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.55 3hso s LEU 522 CO 0.47 0.01 -0.05 -0.22 0.23 0.00 0.00 176.35 176.79 3hso s LEU 523 N -0.99 3.83 -0.12 1.79 2.96 -1.26 -1.06 118.68 123.83 3hso s LEU 523 Ca 0.44 -1.65 0.02 0.00 -0.22 0.00 0.00 54.13 52.72 3hso s LEU 523 Cb -0.27 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3hso s LEU 523 CO 0.34 -0.26 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.16 3hso s LEU 524 N 1.05 2.32 -0.23 -0.68 1.43 -0.02 -1.27 118.68 121.28 3hso s LEU 524 Ca -0.02 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3hso s LEU 524 Cb -0.20 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3hso s LEU 524 CO -0.06 0.15 0.04 -1.58 0.23 0.00 0.00 176.35 175.12 3hso s GLN 525 N 0.44 3.62 -0.05 1.70 0.74 -0.56 0.05 119.66 125.60 3hso s GLN 525 Ca -0.14 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.78 3hso s GLN 525 Cb -0.17 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 3hso s GLN 525 CO 0.06 -0.14 -0.07 0.00 -0.55 0.00 0.00 175.29 174.60 3hso s ALA 526 N 1.44 3.00 -1.00 1.58 0.00 -1.26 -1.70 121.76 123.82 3hso s ALA 526 Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 3hso s ALA 526 Cb -0.15 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.79 3hso s ALA 526 CO 0.02 0.59 0.17 -1.71 0.00 0.00 0.00 175.76 174.82 3hso n ASN 527 N 2.04 -3.48 0.00 0.00 5.15 -1.22 -0.92 115.26 116.82 3hso n ASN 527 Ca -0.17 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 3hso n ASN 527 Cb 0.53 -2.95 0.00 0.00 -0.53 0.00 0.00 39.78 36.83 3hso n ASN 527 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hso n GLY 528 N -0.89 1.47 3.76 8.20 0.00 -0.54 -4.52 105.19 112.67 3hso n GLY 528 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3hso n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hso s ASN 529 N -3.23 4.18 0.42 1.61 0.01 -0.09 -4.83 114.94 113.00 3hso s ASN 529 Ca 0.00 1.53 -0.26 0.00 -0.71 0.00 0.00 52.86 53.41 3hso s ASN 529 Cb 0.00 -2.25 -0.10 0.00 0.41 0.00 0.00 41.25 39.32 3hso s ASN 529 CO 0.00 -2.20 1.39 0.47 -1.51 0.00 0.00 177.10 175.26 3hso n ASP 530 N -3.60 3.20 -4.75 -1.22 8.00 -1.26 -4.33 116.55 112.58 3hso n ASP 530 Ca 0.07 1.15 -0.36 0.00 0.71 0.00 0.00 54.79 56.37 3hso n ASP 530 Cb 0.55 -1.57 0.04 0.00 -0.02 0.00 0.00 41.12 40.12 3hso n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3hso s PRO 531 N -2.26 2.86 0.10 -0.24 0.04 -1.26 -4.74 135.00 129.50 3hso s PRO 531 Ca 0.59 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.55 3hso s PRO 531 Cb -0.48 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3hso s PRO 531 CO 0.60 -1.30 -0.21 -1.21 0.04 0.00 0.00 177.00 174.91 3hso s GLU 532 N -3.40 1.15 -0.01 4.56 2.02 0.11 -4.84 118.70 118.29 3hso s GLU 532 Ca 0.78 -1.18 -0.16 0.00 0.02 0.00 0.00 54.97 54.43 3hso s GLU 532 Cb -0.31 -1.43 -0.06 0.00 0.10 0.00 0.00 34.13 32.44 3hso s GLU 532 CO 0.35 0.33 0.44 -0.51 0.02 0.00 0.00 175.26 175.89 3hso s LEU 533 N -1.93 4.46 0.01 1.80 1.43 -1.26 -0.84 118.68 122.35 3hso s LEU 533 Ca 0.07 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 3hso s LEU 533 Cb -0.10 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 3hso s LEU 533 CO 0.04 0.27 0.01 -0.36 0.23 0.00 0.00 176.35 176.54 3hso s PHE 534 N -0.84 0.20 -0.23 0.29 0.08 -0.23 -4.99 117.98 112.26 3hso s PHE 534 Ca 0.25 -0.41 -0.08 0.00 0.12 0.00 0.00 56.93 56.81 3hso s PHE 534 Cb -0.17 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 3hso s PHE 534 CO 0.14 -0.19 0.09 -1.14 -0.10 0.00 0.00 175.22 174.02 3hso s GLN 535 N -1.33 3.85 0.14 0.44 0.74 -1.26 -0.17 119.66 122.08 3hso s GLN 535 Ca -0.14 -0.39 -0.31 0.00 0.05 0.00 0.00 55.36 54.56 3hso s GLN 535 Cb -0.09 -3.35 -0.09 0.00 1.10 0.00 0.00 33.01 30.57 3hso s GLN 535 CO -0.00 0.00 1.55 0.42 -0.55 0.00 0.00 175.29 176.71 3hso s ILE 536 N 1.13 2.80 -0.08 -2.34 1.01 -1.26 -4.91 121.20 117.55 3hso s ILE 536 Ca 0.05 0.54 -0.37 0.00 0.00 0.00 0.00 60.65 60.86 3hso s ILE 536 Cb -0.14 -3.34 -0.15 0.00 0.01 0.00 0.00 42.46 38.83 3hso s ILE 536 CO 0.04 0.04 1.61 -2.65 0.00 0.00 0.00 174.94 173.97 3hso n PRO 537 N 4.20 1.41 -0.30 2.79 -0.02 -1.26 -4.83 135.00 136.99 3hso n PRO 537 Ca 0.14 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3hso n PRO 537 Cb 0.39 -2.21 0.28 0.00 -0.02 0.00 0.00 33.50 31.94 3hso n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hso h PRO 538 N 6.45 0.90 0.00 0.52 0.11 -1.95 0.65 132.00 138.68 3hso h PRO 538 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hso h PRO 538 Cb 1.31 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hso h PRO 538 CO 0.89 0.60 0.13 1.05 -0.21 0.00 0.00 178.00 180.45 3hso h GLU 539 N 0.93 0.00 0.00 1.05 9.09 -2.03 0.67 114.58 124.29 3hso h GLU 539 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 3hso h GLU 539 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3hso h GLU 539 CO -0.19 0.00 -0.78 1.28 0.05 0.00 0.00 179.01 179.37 3hso n LEU 540 N -2.70 0.65 -4.38 3.06 4.32 0.22 -4.79 117.00 113.38 3hso n LEU 540 Ca -0.02 0.12 -0.45 0.00 -0.02 0.00 0.00 56.01 55.64 3hso n LEU 540 Cb 0.17 -0.15 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 3hso n LEU 540 CO 0.14 -0.00 0.38 -0.69 -1.22 0.00 0.00 177.39 176.00 3hso s VAL 541 N -3.17 4.85 -0.08 4.08 1.01 0.23 -4.81 120.40 122.51 3hso s VAL 541 Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3hso s VAL 541 Cb 0.14 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3hso s VAL 541 CO 0.75 -1.07 1.08 -0.22 0.00 0.00 0.00 175.10 175.64 3hso s LEU 542 N 2.61 4.26 0.14 3.92 2.96 -1.26 -5.01 118.68 126.30 3hso s LEU 542 Ca 0.11 1.64 0.08 0.00 -0.22 0.00 0.00 54.13 55.74 3hso s LEU 542 Cb -0.24 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 3hso s LEU 542 CO 0.07 -0.49 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.82 3hso s GLU 543 N 2.05 1.20 -0.17 1.98 2.02 -1.26 -0.92 118.70 123.59 3hso s GLU 543 Ca 0.51 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3hso s GLU 543 Cb -0.21 -1.25 0.02 0.00 0.10 0.00 0.00 34.13 32.79 3hso s GLU 543 CO 0.20 0.26 -0.17 0.08 0.02 0.00 0.00 175.26 175.65 3hso s VAL 544 N -1.91 1.87 0.35 2.63 1.01 0.72 -4.90 120.40 120.17 3hso s VAL 544 Ca 0.13 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 3hso s VAL 544 Cb -0.06 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 3hso s VAL 544 CO 0.05 0.47 1.17 -2.16 0.00 0.00 0.00 175.10 174.64 3hso s PRO 545 N 1.36 4.29 -0.24 2.72 0.05 -1.26 -1.62 135.00 140.30 3hso s PRO 545 Ca 0.04 1.89 -0.08 0.00 0.05 0.00 0.00 61.00 62.90 3hso s PRO 545 Cb -0.13 -2.89 -0.04 0.00 0.05 0.00 0.00 34.50 31.48 3hso s PRO 545 CO -0.12 -0.13 0.10 0.42 0.05 0.00 0.00 177.00 177.32 3hso s ILE 546 N -1.30 4.71 0.29 0.56 -1.09 -0.18 -4.85 121.20 119.34 3hso s ILE 546 Ca 0.52 -0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.92 3hso s ILE 546 Cb -0.32 -3.19 -0.06 0.00 -1.58 0.00 0.00 42.46 37.31 3hso s ILE 546 CO 0.42 0.35 0.07 0.00 -1.23 0.00 0.00 174.94 174.55 3hso s ARG 547 N 1.27 1.51 -0.03 2.79 3.03 -1.26 -4.18 118.95 122.07 3hso s ARG 547 Ca 0.05 -1.82 0.05 0.00 2.03 0.00 0.00 55.73 56.04 3hso s ARG 547 Cb -0.14 -0.55 -0.03 0.00 -1.03 0.00 0.00 34.95 33.20 3hso s ARG 547 CO 0.04 -0.23 -0.17 -1.58 -1.13 0.00 0.00 175.30 172.24 3hso s HIS 548 N -3.53 2.63 0.31 5.89 2.46 -1.26 -4.34 115.29 117.45 3hso s HIS 548 Ca 0.37 -0.21 0.31 0.00 0.47 0.00 0.00 55.06 56.00 3hso s HIS 548 Cb 0.08 -1.59 1.48 0.00 -0.13 0.00 0.00 32.58 32.42 3hso s HIS 548 CO 0.14 0.16 2.05 -1.00 -2.47 0.00 0.00 174.74 173.62 3hso h PRO 549 N 5.24 0.00 0.00 2.88 0.13 -1.92 -3.27 132.00 135.06 3hso h PRO 549 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3hso h PRO 549 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3hso h PRO 549 CO 0.49 0.09 -1.48 1.63 -0.23 0.00 0.00 178.00 178.51 3hso n LYS 550 N -3.35 2.80 -3.21 0.86 5.02 -1.26 -4.93 118.16 114.10 3hso n LYS 550 Ca -0.01 -0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.82 3hso n LYS 550 Cb 0.27 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 3hso n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3hso s PHE 551 N -2.18 3.12 -0.77 2.13 0.08 -1.23 -4.90 117.98 114.23 3hso s PHE 551 Ca -0.03 -1.12 0.19 0.00 0.12 0.00 0.00 56.93 56.09 3hso s PHE 551 Cb 0.02 -3.91 0.80 0.00 -0.57 0.00 0.00 43.02 39.36 3hso s PHE 551 CO 0.29 -1.16 1.60 -3.47 -0.10 0.00 0.00 175.22 172.37 3hso n ASP 552 N 5.81 0.31 0.05 1.36 2.03 -1.26 -1.20 116.55 123.66 3hso n ASP 552 Ca -0.12 0.57 0.13 0.00 0.52 0.00 0.00 54.79 55.90 3hso n ASP 552 Cb 0.41 -0.64 0.51 0.00 -0.72 0.00 0.00 41.12 40.68 3hso n ASP 552 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 3hso n TRP 553 N -1.84 0.41 -0.26 -0.67 4.27 -1.26 -3.99 117.44 114.10 3hso n TRP 553 Ca 0.03 0.12 -0.04 0.00 -3.89 0.00 0.00 57.50 53.72 3hso n TRP 553 Cb 0.21 -0.70 0.07 0.00 -1.36 0.00 0.00 31.31 29.53 3hso n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3hso h PHE 554 N 0.00 0.89 -0.27 -2.67 3.04 -1.52 -1.82 116.94 114.59 3hso h PHE 554 Ca 0.00 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.05 3hso h PHE 554 Cb 0.58 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 3hso h PHE 554 CO 0.00 0.54 0.19 1.57 -2.02 0.00 0.00 178.31 178.59 3hso h LYS 555 N 0.94 0.00 -0.00 1.11 2.10 -1.73 -1.11 116.57 117.89 3hso h LYS 555 Ca 0.28 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3hso h LYS 555 Cb -0.05 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 3hso h LYS 555 CO -0.08 0.00 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.11 3hso n ASP 556 N -4.46 0.29 0.30 7.07 8.00 -0.69 -2.15 116.55 124.92 3hso n ASP 556 Ca 0.03 -0.94 0.20 0.00 0.71 0.00 0.00 54.79 54.80 3hso n ASP 556 Cb 0.35 -0.04 1.04 0.00 -0.02 0.00 0.00 41.12 42.45 3hso n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hso h LEU 557 N 0.43 0.00 0.45 0.64 3.38 -1.24 -3.46 115.31 115.51 3hso h LEU 557 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3hso h LEU 557 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3hso h LEU 557 CO 0.00 0.00 -0.13 0.61 0.09 0.00 0.00 178.44 179.01 3hso n GLY 558 N -0.89 0.71 3.80 0.83 0.00 -0.91 -5.03 105.19 103.70 3hso n GLY 558 Ca -0.02 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 3hso n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hso s LEU 559 N -1.57 4.42 0.25 0.99 1.43 -1.26 -5.01 118.68 117.93 3hso s LEU 559 Ca 0.00 1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 3hso s LEU 559 Cb 0.00 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 3hso s LEU 559 CO 0.00 0.09 0.33 -1.59 0.23 0.00 0.00 176.35 175.41 3hso s LYS 560 N -1.72 1.50 0.22 1.70 -2.85 -1.26 -1.01 119.74 116.32 3hso s LYS 560 Ca 0.41 -1.54 -0.11 0.00 -1.00 0.00 0.00 55.97 53.73 3hso s LYS 560 Cb -0.19 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 3hso s LYS 560 CO 0.22 -0.58 0.40 -0.46 0.10 0.00 0.00 175.35 175.04 3hso s TRP 561 N -3.86 0.43 0.31 1.78 -0.11 -0.64 -4.92 118.94 111.92 3hso s TRP 561 Ca 0.31 -0.77 -0.07 0.00 1.22 0.00 0.00 56.10 56.79 3hso s TRP 561 Cb 0.02 0.07 -0.06 0.00 -1.50 0.00 0.00 33.47 32.00 3hso s TRP 561 CO 0.13 -0.89 0.61 1.52 -4.62 0.00 0.00 176.95 173.71 3hso s TYR 562 N -4.01 3.46 -0.20 5.86 1.13 -1.26 -0.20 117.35 122.12 3hso s TYR 562 Ca 0.22 0.80 0.17 0.00 -1.41 0.00 0.00 57.07 56.85 3hso s TYR 562 Cb 0.01 -2.23 0.08 0.00 -1.10 0.00 0.00 41.96 38.72 3hso s TYR 562 CO 0.07 0.11 1.37 0.78 -2.51 0.00 0.00 175.55 175.37 3hso h GLY 563 N 1.71 0.00 -7.50 5.49 0.00 -1.38 -3.45 103.07 97.95 3hso h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 3hso h GLY 563 CO 0.66 0.00 -0.50 -2.27 0.00 0.00 0.00 176.54 174.43 3hso s LEU 564 N -6.27 4.99 -0.24 3.11 2.96 -1.26 -4.56 118.68 117.40 3hso s LEU 564 Ca 0.03 -1.47 -0.27 0.00 -0.22 0.00 0.00 54.13 52.20 3hso s LEU 564 Cb 0.07 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3hso s LEU 564 CO 0.74 -0.49 0.97 -2.16 -1.32 0.00 0.00 176.35 174.09 3hso s PRO 565 N 1.40 4.21 -0.45 0.98 0.04 -1.26 -4.71 135.00 135.22 3hso s PRO 565 Ca 0.02 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.29 3hso s PRO 565 Cb -0.22 -3.65 0.16 0.00 0.04 0.00 0.00 34.50 30.83 3hso s PRO 565 CO 0.02 -0.62 0.34 0.00 0.04 0.00 0.00 177.00 176.78 3hso s ALA 566 N 3.11 1.71 0.09 8.56 0.00 -1.26 -3.39 121.76 130.59 3hso s ALA 566 Ca 0.41 -2.58 -0.31 0.00 0.00 0.00 0.00 51.96 49.49 3hso s ALA 566 Cb -0.15 -1.69 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 3hso s ALA 566 CO 0.07 -2.01 1.88 0.08 0.00 0.00 0.00 175.76 175.78 3hso s VAL 567 N -0.01 2.71 0.00 0.00 1.01 -0.51 -0.90 120.40 122.70 3hso s VAL 567 Ca 0.29 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3hso s VAL 567 Cb -0.02 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3hso s VAL 567 CO -0.16 -0.00 0.68 -1.54 0.00 0.00 0.00 175.10 174.08 3hso n SER 568 N 6.37 1.35 -0.45 3.32 3.41 0.54 -2.04 113.62 126.13 3hso n SER 568 Ca 0.19 -1.37 0.04 0.00 -0.26 0.00 0.00 58.87 57.46 3hso n SER 568 Cb 0.39 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.45 3hso n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hso n ASN 569 N -0.19 2.68 -4.97 4.04 6.94 -1.24 -4.41 115.26 118.11 3hso n ASN 569 Ca 0.00 -2.06 -0.21 0.00 -0.02 0.00 0.00 54.58 52.29 3hso n ASN 569 Cb 0.10 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3hso n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hso s MET 570 N -1.11 3.08 -0.10 -3.83 -1.94 -1.26 -4.30 119.30 109.85 3hso s MET 570 Ca 0.17 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 3hso s MET 570 Cb 0.10 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.22 3hso s MET 570 CO 0.11 -0.10 -0.14 -1.17 -0.01 0.00 0.00 175.02 173.71 3hso s LEU 571 N -4.35 2.73 -0.24 -0.03 0.20 0.13 -4.35 118.68 112.76 3hso s LEU 571 Ca 0.47 -0.27 -0.07 0.00 0.69 0.00 0.00 54.13 54.94 3hso s LEU 571 Cb -0.10 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 3hso s LEU 571 CO 0.34 0.24 0.06 -0.22 -0.29 0.00 0.00 176.35 176.48 3hso s LEU 572 N -0.08 3.44 -0.24 -0.68 2.96 -0.49 -0.28 118.68 123.31 3hso s LEU 572 Ca -0.02 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 3hso s LEU 572 Cb -0.14 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3hso s LEU 572 CO 0.04 -0.02 0.09 -0.70 -1.32 0.00 0.00 176.35 174.43 3hso s GLU 573 N 1.52 3.78 -0.08 1.98 2.12 0.76 -0.84 118.70 127.94 3hso s GLU 573 Ca 0.06 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 3hso s GLU 573 Cb -0.15 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.92 3hso s GLU 573 CO 0.03 -0.07 -0.05 0.42 -0.54 0.00 0.00 175.26 175.06 3hso s ILE 574 N 1.31 0.69 -1.17 -3.70 1.01 -0.73 -1.62 121.20 116.99 3hso s ILE 574 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3hso s ILE 574 Cb -0.15 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 41.63 3hso s ILE 574 CO 0.04 0.29 0.35 0.61 0.00 0.00 0.00 174.94 176.23 3hso n GLY 575 N 4.64 -0.49 1.82 6.18 0.00 -1.26 -0.34 105.19 115.75 3hso n GLY 575 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hso n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hso n GLY 576 N -1.05 2.72 3.80 -0.02 0.00 -1.26 -3.33 105.19 106.04 3hso n GLY 576 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3hso n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hso s LEU 577 N 0.00 3.93 -0.26 0.99 1.43 0.54 -4.99 118.68 120.32 3hso s LEU 577 Ca 0.00 1.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 3hso s LEU 577 Cb 0.00 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.80 3hso s LEU 577 CO 0.00 -0.61 -0.09 -1.61 0.23 0.00 0.00 176.35 174.27 3hso s GLU 578 N -3.07 2.09 -0.80 1.70 2.02 -1.26 -1.77 118.70 117.61 3hso s GLU 578 Ca 0.64 -1.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.13 3hso s GLU 578 Cb -0.15 -2.87 0.17 0.00 0.10 0.00 0.00 34.13 31.38 3hso s GLU 578 CO 0.19 -0.60 0.85 -0.06 0.02 0.00 0.00 175.26 175.66 3hso s PHE 579 N 1.13 3.40 -0.23 1.61 0.08 -0.02 0.28 117.98 124.22 3hso s PHE 579 Ca -0.07 -1.58 0.28 0.00 0.12 0.00 0.00 56.93 55.69 3hso s PHE 579 Cb -0.20 -4.00 1.09 0.00 -0.57 0.00 0.00 43.02 39.35 3hso s PHE 579 CO -0.05 -1.20 1.84 0.66 -0.10 0.00 0.00 175.22 176.36 3hso h SER 580 N 8.43 0.00 -3.64 1.36 4.64 -1.81 -1.30 113.55 121.22 3hso h SER 580 Ca 0.02 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.69 3hso h SER 580 Cb 1.05 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.77 3hso h SER 580 CO 0.94 0.00 -0.81 0.00 -0.87 0.00 0.00 176.83 176.09 3hso s ALA 581 N -3.45 2.38 -0.42 5.18 0.00 -1.18 -4.59 121.76 119.68 3hso s ALA 581 Ca 0.04 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.53 3hso s ALA 581 Cb 0.09 -1.46 0.36 0.00 0.00 0.00 0.00 23.12 22.11 3hso s ALA 581 CO 0.50 -1.00 1.16 0.00 0.00 0.00 0.00 175.76 176.43 3hso n PRO 583 N -0.01 1.32 -4.08 0.00 -0.04 -1.20 -4.70 135.00 126.29 3hso n PRO 583 Ca 0.04 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 63.88 3hso n PRO 583 Cb 0.76 -2.02 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 3hso n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hso s PHE 584 N -0.06 0.59 -0.07 0.54 -0.12 -0.86 -1.32 117.98 116.67 3hso s PHE 584 Ca 0.74 -0.80 -0.09 0.00 -0.05 0.00 0.00 56.93 56.73 3hso s PHE 584 Cb -0.83 -0.38 0.02 0.00 -0.63 0.00 0.00 43.02 41.20 3hso s PHE 584 CO 0.51 -0.22 0.24 -1.54 -0.05 0.00 0.00 175.22 174.16 3hso s SER 585 N -2.36 -0.21 0.00 1.98 1.04 -0.38 -1.42 113.70 112.34 3hso s SER 585 Ca -0.00 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.79 3hso s SER 585 Cb -0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3hso s SER 585 CO -0.05 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3hso n GLY 586 N 2.56 2.05 3.28 7.32 0.00 -1.22 -1.57 105.19 117.61 3hso n GLY 586 Ca -0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 3hso n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hso s TRP 587 N 2.62 0.20 0.39 1.61 -2.14 -1.26 -4.63 118.94 115.74 3hso s TRP 587 Ca 0.00 -0.59 -0.24 0.00 2.66 0.00 0.00 56.10 57.93 3hso s TRP 587 Cb 0.00 -0.00 -0.09 0.00 -3.10 0.00 0.00 33.47 30.28 3hso s TRP 587 CO 0.00 -0.65 1.05 0.71 -2.66 0.00 0.00 176.95 175.41 3hso s TYR 588 N -3.90 3.28 -0.08 1.66 2.02 -1.26 -4.91 117.35 114.16 3hso s TYR 588 Ca 0.10 1.64 -0.15 0.00 -0.37 0.00 0.00 57.07 58.29 3hso s TYR 588 Cb 0.04 -3.14 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 3hso s TYR 588 CO -0.06 -0.64 0.38 1.41 -1.57 0.00 0.00 175.55 175.07 3hso s MET 589 N -2.44 4.09 0.39 -0.62 -2.45 -1.26 -1.24 119.30 115.77 3hso s MET 589 Ca 0.57 0.31 0.12 0.00 -1.25 0.00 0.00 55.69 55.43 3hso s MET 589 Cb -0.23 -3.33 0.92 0.00 1.25 0.00 0.00 34.83 33.45 3hso s MET 589 CO 0.28 0.44 1.91 0.78 1.05 0.00 0.00 175.02 179.49 3hso h GLY 590 N 5.75 0.91 2.00 2.11 0.00 -1.48 -1.70 103.07 110.67 3hso h GLY 590 Ca -0.46 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3hso h GLY 590 CO 0.69 0.10 -0.01 -0.91 0.00 0.00 0.00 176.54 176.40 3hso h THR 591 N 0.56 0.79 -0.74 4.70 1.35 -1.94 0.27 112.91 117.91 3hso h THR 591 Ca 0.39 -0.05 0.05 0.00 -0.55 0.00 0.00 66.41 66.24 3hso h THR 591 Cb 0.70 1.03 -0.05 0.00 -1.73 0.00 0.00 68.15 68.10 3hso h THR 591 CO -0.15 0.01 0.45 -0.33 -0.25 0.00 0.00 175.52 175.26 3hso h GLU 592 N 0.00 0.82 0.00 4.72 5.08 -1.72 -0.06 114.58 123.42 3hso h GLU 592 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hso h GLU 592 Cb 0.03 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3hso h GLU 592 CO 0.00 0.54 -0.06 0.82 -1.00 0.00 0.00 179.01 179.31 3hso h ILE 593 N 0.85 0.43 -0.08 3.13 2.04 -1.57 -1.60 117.51 120.71 3hso h ILE 593 Ca 0.31 -1.33 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 3hso h ILE 593 Cb 0.10 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3hso h ILE 593 CO -0.14 0.14 -0.43 1.23 0.00 0.00 0.00 178.15 178.95 3hso h GLY 594 N -1.00 0.20 0.00 5.37 0.00 -0.51 0.69 103.07 107.82 3hso h GLY 594 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3hso h GLY 594 CO -0.00 0.18 -0.34 -0.62 0.00 0.00 0.00 176.54 175.75 3hso n VAL 595 N -4.01 0.86 0.11 4.60 0.31 -0.07 -4.17 118.33 115.96 3hso n VAL 595 Ca -0.02 0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 64.58 3hso n VAL 595 Cb 0.49 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 3hso n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hso h ARG 596 N -0.60 -0.37 -0.63 5.55 2.47 -1.50 -0.77 114.38 118.53 3hso h ARG 596 Ca 0.00 0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 3hso h ARG 596 Cb 0.34 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 3hso h ARG 596 CO 0.00 -0.22 0.04 -0.44 0.56 0.00 0.00 179.97 179.91 3hso h ASP 597 N -1.09 1.06 0.49 7.04 3.32 -1.13 -1.95 116.42 124.15 3hso h ASP 597 Ca -0.04 -0.29 -0.30 0.00 0.02 0.00 0.00 57.03 56.42 3hso h ASP 597 Cb 0.32 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hso h ASP 597 CO 0.06 1.09 -1.49 1.88 -1.72 0.00 0.00 179.24 179.06 3hso h TYR 598 N 0.99 0.42 0.00 4.55 0.05 -1.01 -2.32 116.97 119.65 3hso h TYR 598 Ca 0.18 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.65 3hso h TYR 598 Cb 0.52 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3hso h TYR 598 CO 0.04 1.35 -0.61 0.00 -1.05 0.00 0.00 178.16 177.89 3hso n ASP 600 N -1.33 1.79 0.22 0.00 9.92 -0.74 -4.64 116.55 121.78 3hso n ASP 600 Ca 0.01 1.15 0.07 0.00 -0.53 0.00 0.00 54.79 55.49 3hso n ASP 600 Cb 0.14 -1.38 0.61 0.00 -0.64 0.00 0.00 41.12 39.85 3hso n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3hso h ASN 601 N 2.04 0.07 -0.17 -2.24 2.35 -1.92 -2.44 115.58 113.27 3hso h ASN 601 Ca -0.43 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3hso h ASN 601 Cb 1.32 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3hso h ASN 601 CO 0.60 0.05 0.00 -1.54 -1.65 0.00 0.00 177.43 174.89 3hso n SER 602 N -4.53 1.76 0.00 5.81 3.41 -1.26 -4.70 113.62 114.10 3hso n SER 602 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3hso n SER 602 Cb 0.09 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3hso n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hso n ARG 603 N 0.38 1.60 0.22 4.33 5.12 -0.94 -4.24 116.66 123.14 3hso n ARG 603 Ca 0.16 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.17 3hso n ARG 603 Cb 0.35 0.00 0.51 0.00 -1.16 0.00 0.00 32.46 32.16 3hso n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3hso h TYR 604 N 0.00 0.00 -5.83 -1.55 -1.99 -1.56 -3.42 116.97 102.61 3hso h TYR 604 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 3hso h TYR 604 Cb 0.00 0.00 0.13 0.00 2.00 0.00 0.00 36.73 38.86 3hso h TYR 604 CO 0.00 0.25 -0.84 -1.71 -0.00 0.00 0.00 178.16 175.86 3hso n ASN 605 N -3.64 -3.26 -0.79 3.88 5.15 0.37 -4.90 115.26 112.06 3hso n ASN 605 Ca -0.01 -0.76 0.11 0.00 -0.60 0.00 0.00 54.58 53.32 3hso n ASN 605 Cb 0.37 -4.55 0.30 0.00 -0.53 0.00 0.00 39.78 35.38 3hso n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3hso n ILE 606 N -3.97 0.26 -0.03 -1.44 -5.35 -0.66 -4.56 119.36 103.61 3hso n ILE 606 Ca -0.22 -0.49 -0.09 0.00 -0.27 0.00 0.00 62.75 61.69 3hso n ILE 606 Cb 0.65 0.72 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 3hso n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hso h LEU 607 N 3.27 -0.14 0.38 7.28 3.38 -1.87 -1.20 115.31 126.42 3hso h LEU 607 Ca 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hso h LEU 607 Cb 0.71 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3hso h LEU 607 CO 0.00 -0.05 -0.24 -0.33 0.09 0.00 0.00 178.44 177.91 3hso h GLU 608 N 0.01 -0.58 -0.93 1.13 5.08 -1.99 0.45 114.58 117.74 3hso h GLU 608 Ca 0.08 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 3hso h GLU 608 Cb 0.12 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3hso h GLU 608 CO -0.17 -0.39 0.60 1.49 -1.00 0.00 0.00 179.01 179.54 3hso h GLU 609 N -0.60 0.87 -0.03 2.33 4.81 -1.83 0.35 114.58 120.48 3hso h GLU 609 Ca -0.04 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3hso h GLU 609 Cb 0.50 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3hso h GLU 609 CO 0.04 0.58 -0.03 0.28 -0.73 0.00 0.00 179.01 179.15 3hso h VAL 610 N 0.90 1.38 -0.95 0.32 2.07 -0.89 -2.97 116.25 116.12 3hso h VAL 610 Ca 0.45 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.85 3hso h VAL 610 Cb 0.49 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 3hso h VAL 610 CO -0.21 0.32 0.61 0.00 0.02 0.00 0.00 177.57 178.31 3hso h ALA 611 N 0.53 1.47 -0.13 1.67 0.00 -0.07 -1.34 119.26 121.39 3hso h ALA 611 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hso h ALA 611 Cb 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hso h ALA 611 CO 0.01 0.38 -0.04 0.87 0.00 0.00 0.00 179.25 180.47 3hso h LYS 612 N 1.08 -0.01 0.00 0.00 1.57 -0.34 -1.60 116.57 117.28 3hso h LYS 612 Ca 0.41 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 3hso h LYS 612 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hso h LYS 612 CO -0.16 -0.00 -0.10 0.87 -0.57 0.00 0.00 179.45 179.49 3hso h LYS 613 N -0.01 0.00 0.00 3.15 1.79 -1.23 -1.38 116.57 118.89 3hso h LYS 613 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3hso h LYS 613 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3hso h LYS 613 CO -0.14 0.10 -0.21 -1.33 -1.08 0.00 0.00 179.45 176.80 3hso n MET 614 N -3.42 0.13 -3.66 3.15 2.81 -0.56 -4.95 117.12 110.62 3hso n MET 614 Ca -0.01 0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.73 3hso n MET 614 Cb 0.27 -1.62 0.06 0.00 -0.71 0.00 0.00 33.22 31.21 3hso n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hso n ASP 615 N -1.84 -3.30 -4.86 7.83 2.03 -0.52 -4.99 116.55 110.90 3hso n ASP 615 Ca 0.06 -0.70 -0.31 0.00 0.52 0.00 0.00 54.79 54.35 3hso n ASP 615 Cb 0.38 -4.50 0.01 0.00 -0.72 0.00 0.00 41.12 36.30 3hso n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hso s LEU 616 N -6.87 3.24 -0.51 -2.67 1.43 -1.09 -4.99 118.68 107.22 3hso s LEU 616 Ca 0.27 1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 3hso s LEU 616 Cb -0.13 -4.48 0.02 0.00 0.03 0.00 0.00 46.19 41.64 3hso s LEU 616 CO 0.78 -0.92 1.24 -0.62 0.23 0.00 0.00 176.35 177.05 3hso s ASP 617 N -4.06 6.45 -0.05 2.29 -1.08 -1.26 -4.88 116.67 114.08 3hso s ASP 617 Ca 0.56 0.38 0.18 0.00 -0.52 0.00 0.00 52.55 53.14 3hso s ASP 617 Cb -0.11 -2.55 0.58 0.00 -1.46 0.00 0.00 42.92 39.38 3hso s ASP 617 CO 0.53 -1.43 1.49 0.23 0.52 0.00 0.00 175.17 176.51 3hso n MET 618 N 8.20 3.10 0.07 4.34 2.81 -1.26 -4.46 117.12 129.92 3hso n MET 618 Ca 0.12 -2.60 -0.03 0.00 -1.81 0.00 0.00 57.70 53.38 3hso n MET 618 Cb 0.49 -1.62 -0.07 0.00 -0.71 0.00 0.00 33.22 31.31 3hso n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hso h ARG 619 N 3.50 0.00 -4.28 0.03 3.08 -2.04 -3.45 114.38 111.21 3hso h ARG 619 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 3hso h ARG 619 Cb 1.10 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.82 3hso h ARG 619 CO 0.09 0.66 -0.79 -1.59 -1.07 0.00 0.00 179.97 177.27 3hso s LYS 620 N -2.80 1.12 0.39 0.04 -2.85 -1.26 -5.03 119.74 109.34 3hso s LYS 620 Ca 0.00 -0.24 0.11 0.00 -1.00 0.00 0.00 55.97 54.85 3hso s LYS 620 Cb 0.09 -1.01 0.92 0.00 -2.06 0.00 0.00 37.83 35.76 3hso s LYS 620 CO 0.80 -0.01 1.92 1.79 0.10 0.00 0.00 175.35 179.95 3hso h THR 621 N 5.95 0.87 0.00 3.79 1.35 -1.91 -2.04 112.91 120.93 3hso h THR 621 Ca -0.35 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3hso h THR 621 Cb 1.17 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3hso h THR 621 CO 0.48 0.10 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 3hso n SER 622 N -4.50 0.00 0.19 5.36 3.41 -1.26 0.59 113.62 117.41 3hso n SER 622 Ca 0.14 0.32 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 3hso n SER 622 Cb 0.42 -0.36 0.48 0.00 -0.26 0.00 0.00 64.21 64.49 3hso n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hso h SER 623 N 0.00 0.00 -4.72 4.04 4.64 -1.65 -3.47 113.55 112.39 3hso h SER 623 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3hso h SER 623 Cb 0.05 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.24 3hso h SER 623 CO 0.00 0.00 -0.57 0.18 -0.87 0.00 0.00 176.83 175.57 3hso n LEU 624 N -2.70 -2.95 -0.08 5.97 4.77 0.20 -4.93 117.00 117.28 3hso n LEU 624 Ca 0.03 -0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 55.52 3hso n LEU 624 Cb 0.35 -2.73 -0.04 0.00 -2.33 0.00 0.00 43.42 38.67 3hso n LEU 624 CO 0.27 0.42 0.81 4.11 -1.33 0.00 0.00 177.39 181.66 3hso h TRP 625 N -1.89 0.43 -0.45 -1.77 5.08 -1.81 0.14 115.95 115.68 3hso h TRP 625 Ca -0.49 -0.06 0.09 0.00 1.08 0.00 0.00 58.89 59.51 3hso h TRP 625 Cb 1.33 -0.12 -0.09 0.00 -3.00 0.00 0.00 29.16 27.28 3hso h TRP 625 CO 0.45 0.52 -0.18 0.87 -1.28 0.00 0.00 178.44 178.83 3hso h LYS 626 N 0.22 -0.08 -0.87 0.12 1.57 -1.91 0.19 116.57 115.81 3hso h LYS 626 Ca 0.08 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3hso h LYS 626 Cb 0.32 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3hso h LYS 626 CO 0.00 -0.05 0.55 -0.44 -0.57 0.00 0.00 179.45 178.94 3hso h ASP 627 N -0.08 0.89 -0.21 0.86 5.19 -1.87 -0.35 116.42 120.85 3hso h ASP 627 Ca 0.22 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.56 3hso h ASP 627 Cb 0.42 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 3hso h ASP 627 CO -0.51 0.59 -0.14 -0.61 -3.12 0.00 0.00 179.24 175.46 3hso h GLN 628 N 1.03 0.46 -0.52 3.56 4.15 0.52 -2.74 115.11 121.59 3hso h GLN 628 Ca 0.36 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 3hso h GLN 628 Cb 0.09 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3hso h GLN 628 CO -0.15 0.77 0.28 0.00 -1.93 0.00 0.00 178.83 177.80 3hso h ALA 629 N 0.68 1.52 -0.13 3.38 0.00 -0.87 -2.89 119.26 120.96 3hso h ALA 629 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hso h ALA 629 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hso h ALA 629 CO 0.04 0.40 0.01 1.25 0.00 0.00 0.00 179.25 180.95 3hso h LEU 630 N 0.72 -0.03 -0.70 0.00 5.85 -0.80 -1.38 115.31 118.98 3hso h LEU 630 Ca 0.18 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3hso h LEU 630 Cb 0.02 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hso h LEU 630 CO -0.03 0.01 0.41 0.58 -0.34 0.00 0.00 178.44 179.07 3hso h VAL 631 N 0.06 1.20 -0.35 1.05 2.07 -1.32 -1.92 116.25 117.04 3hso h VAL 631 Ca 0.06 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3hso h VAL 631 Cb 0.06 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3hso h VAL 631 CO -0.09 0.22 -0.06 -0.33 0.02 0.00 0.00 177.57 177.33 3hso h GLU 632 N 0.95 0.57 -0.47 1.57 4.39 -1.26 -0.43 114.58 119.91 3hso h GLU 632 Ca 0.25 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 3hso h GLU 632 Cb -0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3hso h GLU 632 CO -0.05 0.64 -0.23 0.82 -1.16 0.00 0.00 179.01 179.04 3hso h ILE 633 N 0.53 1.27 -0.01 3.13 2.04 -0.89 -2.32 117.51 121.27 3hso h ILE 633 Ca 0.11 -1.39 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 3hso h ILE 633 Cb 0.43 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3hso h ILE 633 CO 0.02 0.48 -0.58 0.78 0.00 0.00 0.00 178.15 178.85 3hso h ASN 634 N 0.84 0.02 -0.53 1.72 2.35 -0.83 -1.82 115.58 117.33 3hso h ASN 634 Ca 0.11 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3hso h ASN 634 Cb 0.80 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 3hso h ASN 634 CO 0.07 0.59 0.13 0.40 -1.65 0.00 0.00 177.43 176.97 3hso h ILE 635 N 0.01 1.24 -0.63 2.81 2.04 -0.97 -2.82 117.51 119.19 3hso h ILE 635 Ca -0.01 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 3hso h ILE 635 Cb 1.02 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3hso h ILE 635 CO 0.08 0.31 0.30 0.00 0.00 0.00 0.00 178.15 178.83 3hso h ALA 636 N 1.01 0.81 0.07 1.87 0.00 -1.00 -0.08 119.26 121.93 3hso h ALA 636 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hso h ALA 636 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hso h ALA 636 CO 0.00 0.38 -0.03 0.28 0.00 0.00 0.00 179.25 179.87 3hso h VAL 637 N 0.86 1.02 -0.65 0.00 2.07 -1.30 0.11 116.25 118.36 3hso h VAL 637 Ca 0.21 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3hso h VAL 637 Cb 0.13 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3hso h VAL 637 CO -0.03 0.07 0.21 -0.07 0.02 0.00 0.00 177.57 177.78 3hso h LEU 638 N -0.23 0.95 -0.47 2.57 3.38 -1.40 -1.87 115.31 118.24 3hso h LEU 638 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3hso h LEU 638 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3hso h LEU 638 CO 0.02 0.90 0.17 0.22 0.09 0.00 0.00 178.44 179.83 3hso h TYR 639 N 0.94 0.74 -0.25 1.13 3.20 -0.81 -1.78 116.97 120.15 3hso h TYR 639 Ca 0.21 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3hso h TYR 639 Cb 0.29 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3hso h TYR 639 CO 0.02 0.65 0.07 0.77 -1.64 0.00 0.00 178.16 178.03 3hso h SER 640 N 0.63 0.37 -0.03 -2.11 0.02 -0.44 -1.18 113.55 110.80 3hso h SER 640 Ca 0.15 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3hso h SER 640 Cb 0.24 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3hso h SER 640 CO -0.01 0.49 0.01 -0.26 -1.14 0.00 0.00 176.83 175.93 3hso h PHE 641 N 0.23 0.05 -0.81 3.45 -1.00 -1.34 -1.97 116.94 115.56 3hso h PHE 641 Ca 0.08 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.91 3hso h PHE 641 Cb 0.26 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 3hso h PHE 641 CO 0.01 0.21 0.53 1.96 -1.61 0.00 0.00 178.31 179.40 3hso h GLN 642 N -0.13 0.88 -0.09 1.51 4.20 -1.32 -1.01 115.11 119.15 3hso h GLN 642 Ca 0.01 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 3hso h GLN 642 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hso h GLN 642 CO -0.00 0.58 -0.60 0.77 -0.67 0.00 0.00 178.83 178.91 3hso h SER 643 N 0.91 0.36 -0.15 1.46 0.02 -0.99 -2.25 113.55 112.91 3hso h SER 643 Ca 0.34 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3hso h SER 643 Cb 0.19 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hso h SER 643 CO -0.12 0.88 0.00 0.47 -1.14 0.00 0.00 176.83 176.92 3hso n ASP 644 N -3.89 1.58 -3.17 3.07 8.00 -0.76 -4.94 116.55 116.43 3hso n ASP 644 Ca -0.03 -1.68 -0.16 0.00 0.71 0.00 0.00 54.79 53.63 3hso n ASP 644 Cb 0.62 -0.09 0.08 0.00 -0.02 0.00 0.00 41.12 41.71 3hso n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hso n LYS 645 N 0.26 -6.13 -4.84 -1.24 5.02 -0.55 -4.99 118.16 105.69 3hso n LYS 645 Ca 0.16 0.75 -0.33 0.00 -2.02 0.00 0.00 58.31 56.87 3hso n LYS 645 Cb 0.32 -5.49 -0.16 0.00 -0.02 0.00 0.00 35.03 29.68 3hso n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hso s VAL 646 N -3.31 2.60 0.22 -0.18 1.01 -0.49 -4.28 120.40 115.96 3hso s VAL 646 Ca 0.11 -0.82 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 3hso s VAL 646 Cb -0.05 -2.06 -0.13 0.00 0.00 0.00 0.00 36.38 34.14 3hso s VAL 646 CO 0.65 0.53 1.47 0.41 0.00 0.00 0.00 175.10 178.17 3hso n THR 647 N 3.69 0.67 -3.64 3.92 -1.04 -0.36 -4.25 114.28 113.28 3hso n THR 647 Ca -0.19 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.05 61.51 3hso n THR 647 Cb 0.52 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.43 3hso n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3hso s ILE 648 N 0.24 0.03 0.01 12.58 2.07 -1.26 -4.42 121.20 130.45 3hso s ILE 648 Ca 0.71 -0.28 0.06 0.00 -1.41 0.00 0.00 60.65 59.73 3hso s ILE 648 Cb -0.64 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 3hso s ILE 648 CO 0.46 -0.15 -0.18 0.54 -1.91 0.00 0.00 174.94 173.69 3hso s VAL 649 N -1.51 1.46 0.59 4.00 0.11 -0.38 -5.01 120.40 119.65 3hso s VAL 649 Ca -0.11 -0.92 -0.09 0.00 -2.93 0.00 0.00 61.98 57.94 3hso s VAL 649 Cb -0.02 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 3hso s VAL 649 CO 0.05 0.30 0.95 1.51 -3.33 0.00 0.00 175.10 174.59 3hso s ASP 650 N -0.71 6.08 0.53 3.54 1.47 -1.26 -1.19 116.67 125.12 3hso s ASP 650 Ca 0.07 1.17 0.30 0.00 1.18 0.00 0.00 52.55 55.27 3hso s ASP 650 Cb -0.08 -2.27 1.40 0.00 -0.34 0.00 0.00 42.92 41.64 3hso s ASP 650 CO 0.00 -0.86 2.02 1.12 0.68 0.00 0.00 175.17 178.13 3hso h HIS 651 N -0.18 0.00 0.06 2.11 -0.00 -1.99 -1.47 115.15 113.67 3hso h HIS 651 Ca -0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3hso h HIS 651 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3hso h HIS 651 CO 0.60 0.10 -0.03 0.45 -0.00 0.00 0.00 177.93 179.05 3hso h HIS 652 N 0.00 -0.07 -0.34 6.12 3.86 -1.96 -2.84 115.15 119.92 3hso h HIS 652 Ca -0.00 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3hso h HIS 652 Cb 0.46 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 3hso h HIS 652 CO 0.00 0.43 0.19 1.03 0.86 0.00 0.00 177.93 180.43 3hso h SER 653 N -0.61 0.29 -0.70 2.45 0.87 -1.93 -1.85 113.55 112.07 3hso h SER 653 Ca -0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3hso h SER 653 Cb 0.53 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 3hso h SER 653 CO 0.01 0.21 0.40 0.00 -0.53 0.00 0.00 176.83 176.93 3hso h ALA 654 N 1.16 0.89 -0.07 6.23 0.00 -1.37 -1.24 119.26 124.87 3hso h ALA 654 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3hso h ALA 654 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hso h ALA 654 CO -0.08 0.38 -0.81 1.79 0.00 0.00 0.00 179.25 180.54 3hso h THR 655 N 0.95 1.37 -0.41 0.00 1.35 -1.43 -0.10 112.91 114.64 3hso h THR 655 Ca 0.25 -2.20 -0.02 0.00 -0.55 0.00 0.00 66.41 63.89 3hso h THR 655 Cb -0.00 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 3hso h THR 655 CO -0.04 0.67 0.19 -0.08 -0.25 0.00 0.00 175.52 176.00 3hso h GLU 656 N 0.31 0.60 -0.66 4.72 4.81 -1.15 -1.71 114.58 121.50 3hso h GLU 656 Ca -0.05 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3hso h GLU 656 Cb 1.41 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 3hso h GLU 656 CO 0.14 0.53 0.13 0.77 -0.73 0.00 0.00 179.01 179.86 3hso h SER 657 N 0.52 1.01 -0.87 1.04 0.02 -1.17 -2.39 113.55 111.71 3hso h SER 657 Ca 0.14 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3hso h SER 657 Cb 0.14 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3hso h SER 657 CO -0.02 0.99 0.53 0.15 -1.14 0.00 0.00 176.83 177.34 3hso h PHE 658 N 1.00 1.15 -0.47 3.45 3.57 -0.76 0.74 116.94 125.62 3hso h PHE 658 Ca 0.20 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3hso h PHE 658 Cb 0.39 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3hso h PHE 658 CO 0.03 0.77 0.01 0.82 -2.23 0.00 0.00 178.31 177.71 3hso h ILE 659 N 1.20 1.26 -0.43 1.41 1.08 -1.10 0.25 117.51 121.18 3hso h ILE 659 Ca 0.31 -1.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 3hso h ILE 659 Cb -0.05 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3hso h ILE 659 CO -0.06 0.36 0.23 0.11 -0.69 0.00 0.00 178.15 178.11 3hso h LYS 660 N 0.68 0.45 -0.47 2.37 1.57 -1.13 -0.90 116.57 119.15 3hso h LYS 660 Ca 0.13 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3hso h LYS 660 Cb 0.49 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3hso h LYS 660 CO 0.02 0.30 0.27 1.25 -0.57 0.00 0.00 179.45 180.72 3hso h HIS 661 N 0.46 0.51 -0.52 -1.35 2.76 -0.55 -2.10 115.15 114.36 3hso h HIS 661 Ca 0.18 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 3hso h HIS 661 Cb 0.06 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3hso h HIS 661 CO -0.09 0.29 0.07 1.98 -1.30 0.00 0.00 177.93 178.88 3hso h MET 662 N 0.55 0.88 -0.22 5.26 1.85 -0.14 -0.97 114.93 122.14 3hso h MET 662 Ca 0.19 -0.24 0.02 0.00 -0.61 0.00 0.00 59.70 59.05 3hso h MET 662 Cb 0.03 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3hso h MET 662 CO -0.09 0.86 0.10 0.93 -0.40 0.00 0.00 176.91 178.31 3hso h GLU 663 N 0.76 0.20 -0.74 0.39 5.08 -1.03 -1.72 114.58 117.52 3hso h GLU 663 Ca 0.16 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3hso h GLU 663 Cb 0.42 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3hso h GLU 663 CO 0.01 0.14 0.42 -0.97 -1.00 0.00 0.00 179.01 177.60 3hso h ASN 664 N 0.21 0.61 -0.50 1.42 -0.00 -1.17 -2.16 115.58 113.99 3hso h ASN 664 Ca 0.09 0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.36 3hso h ASN 664 Cb 0.03 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.25 3hso h ASN 664 CO -0.07 0.38 0.09 -0.33 -0.00 0.00 0.00 177.43 177.49 3hso h GLU 665 N 0.74 0.88 -0.36 6.67 4.39 -0.91 0.04 114.58 126.03 3hso h GLU 665 Ca 0.34 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3hso h GLU 665 Cb 0.25 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3hso h GLU 665 CO -0.21 0.82 0.23 1.88 -1.16 0.00 0.00 179.01 180.57 3hso h TYR 666 N 0.84 0.47 -0.11 4.33 -1.99 -0.74 0.25 116.97 120.02 3hso h TYR 666 Ca 0.17 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 3hso h TYR 666 Cb 0.37 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 3hso h TYR 666 CO 0.02 0.32 -0.08 0.00 -0.00 0.00 0.00 178.16 178.42 3hso h ARG 667 N 0.48 0.25 0.00 4.88 3.08 -1.09 0.09 114.38 122.07 3hso h ARG 667 Ca 0.13 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3hso h ARG 667 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3hso h ARG 667 CO -0.03 0.62 -1.15 0.00 -1.07 0.00 0.00 179.97 178.35 3hso n ARG 669 N -2.90 5.68 -0.80 0.00 0.63 0.81 -5.02 116.66 115.06 3hso n ARG 669 Ca -0.06 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 3hso n ARG 669 Cb 0.75 -0.60 0.00 0.00 0.45 0.00 0.00 32.46 33.06 3hso n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hso n GLY 670 N 1.27 0.65 0.00 5.14 0.00 0.02 -4.55 105.19 107.71 3hso n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hso n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hso n GLY 671 N -2.68 1.47 2.97 -0.02 0.00 -1.13 0.19 105.19 106.00 3hso n GLY 671 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 3hso n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hso s PRO 673 N 2.49 4.26 -0.10 0.00 0.04 -1.26 -4.69 135.00 135.74 3hso s PRO 673 Ca 0.11 2.28 -0.07 0.00 0.04 0.00 0.00 61.00 63.36 3hso s PRO 673 Cb -0.12 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.32 3hso s PRO 673 CO -0.26 -0.47 0.24 0.00 0.04 0.00 0.00 177.00 176.55 3hso s ALA 674 N 0.45 -0.57 -0.48 8.56 0.00 -0.18 -4.20 121.76 125.34 3hso s ALA 674 Ca 0.63 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 3hso s ALA 674 Cb -0.42 -0.53 0.09 0.00 0.00 0.00 0.00 23.12 22.26 3hso s ALA 674 CO 0.38 -0.16 0.41 0.34 0.00 0.00 0.00 175.76 176.73 3hso s ASP 675 N 0.76 6.11 0.28 0.00 -1.08 0.37 -3.35 116.67 119.75 3hso s ASP 675 Ca -0.05 -1.45 -0.00 0.00 -0.52 0.00 0.00 52.55 50.53 3hso s ASP 675 Cb -0.06 -2.17 0.48 0.00 -1.46 0.00 0.00 42.92 39.71 3hso s ASP 675 CO -0.05 -0.68 1.87 -0.25 0.52 0.00 0.00 175.17 176.58 3hso h TRP 676 N 8.75 1.17 -0.82 -5.34 7.01 -1.91 0.34 115.95 125.14 3hso h TRP 676 Ca -0.28 0.03 0.08 0.00 2.11 0.00 0.00 58.89 60.83 3hso h TRP 676 Cb 1.11 -0.38 -0.06 0.00 -2.10 0.00 0.00 29.16 27.73 3hso h TRP 676 CO 0.65 0.55 0.54 0.28 -2.79 0.00 0.00 178.44 177.67 3hso h VAL 677 N 1.09 1.00 0.07 2.65 2.07 -1.93 -1.62 116.25 119.59 3hso h VAL 677 Ca 0.46 -0.29 -0.31 0.00 0.82 0.00 0.00 66.70 67.37 3hso h VAL 677 Cb 0.31 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3hso h VAL 677 CO -0.21 0.15 -1.72 -0.50 0.02 0.00 0.00 177.57 175.32 3hso h TRP 678 N 0.85 0.28 -0.27 1.57 4.06 -1.51 -3.39 115.95 117.54 3hso h TRP 678 Ca 0.37 -0.20 -0.13 0.00 2.06 0.00 0.00 58.89 60.98 3hso h TRP 678 Cb 0.32 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 3hso h TRP 678 CO -0.00 1.35 -0.38 0.82 -3.56 0.00 0.00 178.44 176.67 3hso h ILE 679 N 0.04 1.29 -3.02 1.49 1.08 -0.68 -3.43 117.51 114.29 3hso h ILE 679 Ca -0.30 -1.53 -0.54 0.00 -0.39 0.00 0.00 64.86 62.09 3hso h ILE 679 Cb 2.01 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 37.25 3hso h ILE 679 CO 0.11 0.49 0.74 -0.69 -0.69 0.00 0.00 178.15 178.10 3hso s VAL 680 N -4.31 3.87 0.80 1.67 1.01 -0.64 -4.93 120.40 117.87 3hso s VAL 680 Ca -0.08 1.27 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 3hso s VAL 680 Cb 0.12 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.77 3hso s VAL 680 CO 0.83 0.03 1.19 -2.84 0.00 0.00 0.00 175.10 174.31 3hso s PRO 681 N 1.97 1.74 0.00 2.72 0.02 -1.26 -4.92 135.00 135.27 3hso s PRO 681 Ca 0.61 1.69 0.14 0.00 0.02 0.00 0.00 61.00 63.46 3hso s PRO 681 Cb -0.30 -1.79 0.60 0.00 0.02 0.00 0.00 34.50 33.03 3hso s PRO 681 CO 0.26 -2.12 1.42 -0.35 -0.33 0.00 0.00 177.00 175.88 3hso n PRO 682 N -3.27 1.42 -4.14 5.54 -0.04 -1.26 -4.31 135.00 128.95 3hso n PRO 682 Ca 0.13 -0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 62.83 3hso n PRO 682 Cb 0.51 -1.27 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 3hso n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hso s MET 683 N -1.82 0.75 -1.38 0.54 0.23 -1.26 -4.93 119.30 111.42 3hso s MET 683 Ca 0.23 -1.15 -0.03 0.00 -1.03 0.00 0.00 55.69 53.72 3hso s MET 683 Cb 0.12 -0.27 0.01 0.00 -1.53 0.00 0.00 34.83 33.16 3hso s MET 683 CO 0.18 0.01 0.21 0.43 -2.03 0.00 0.00 175.02 173.82 3hso n SER 684 N 0.47 -4.82 -0.30 -1.18 7.64 -1.26 -4.88 113.62 109.28 3hso n SER 684 Ca -0.16 -0.06 -0.10 0.00 1.01 0.00 0.00 58.87 59.56 3hso n SER 684 Cb 0.59 -4.01 -0.09 0.00 -1.01 0.00 0.00 64.21 59.69 3hso n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hso h GLY 685 N -0.46 -1.07 1.90 0.23 0.00 -1.92 -2.44 103.07 99.30 3hso h GLY 685 Ca -0.42 0.81 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3hso h GLY 685 CO 0.48 -0.11 0.00 -1.14 0.00 0.00 0.00 176.54 175.78 3hso n SER 686 N -5.02 0.00 -0.36 0.19 3.41 -1.26 -2.01 113.62 108.58 3hso n SER 686 Ca 0.00 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 3hso n SER 686 Cb 0.25 -0.45 0.56 0.00 -0.26 0.00 0.00 64.21 64.31 3hso n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hso n ILE 687 N -1.45 0.06 -3.96 -1.33 -5.35 -0.92 -4.78 119.36 101.63 3hso n ILE 687 Ca 0.07 -0.20 -0.33 0.00 -0.27 0.00 0.00 62.75 62.01 3hso n ILE 687 Cb 0.25 0.19 -0.05 0.00 -1.74 0.00 0.00 39.64 38.28 3hso n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hso s THR 688 N -1.94 5.22 0.28 7.28 -4.23 -0.85 -5.03 115.64 116.36 3hso s THR 688 Ca 0.37 -0.25 0.26 0.00 -1.18 0.00 0.00 61.69 60.89 3hso s THR 688 Cb 0.19 -3.43 0.26 0.00 1.34 0.00 0.00 72.50 70.86 3hso s THR 688 CO 0.31 0.32 1.95 1.55 -0.54 0.00 0.00 174.62 178.20 3hso h PRO 689 N 3.85 0.00 -0.30 3.99 0.13 -1.86 -3.04 132.00 134.77 3hso h PRO 689 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hso h PRO 689 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3hso h PRO 689 CO 0.67 0.18 0.16 -0.39 -0.23 0.00 0.00 178.00 178.39 3hso h VAL 690 N 0.00 1.09 -0.93 1.56 -1.51 -1.88 -2.33 116.25 112.25 3hso h VAL 690 Ca -0.00 -0.24 0.13 0.00 -1.23 0.00 0.00 66.70 65.36 3hso h VAL 690 Cb 0.55 0.70 -0.08 0.00 -2.13 0.00 0.00 31.29 30.33 3hso h VAL 690 CO 0.02 0.10 0.59 0.15 -1.23 0.00 0.00 177.57 177.21 3hso h PHE 691 N 0.41 0.95 -0.02 5.19 3.04 -1.73 -1.27 116.94 123.50 3hso h PHE 691 Ca 0.11 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3hso h PHE 691 Cb 0.01 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.22 3hso h PHE 691 CO 0.00 0.37 0.00 0.72 -2.02 0.00 0.00 178.31 177.38 3hso n HIS 692 N -4.58 0.01 -3.66 0.41 -0.00 -0.88 -4.83 115.22 101.68 3hso n HIS 692 Ca 0.18 -0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.52 3hso n HIS 692 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.30 3hso n HIS 692 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3hso s GLN 693 N -1.99 3.99 0.26 -0.41 2.00 -0.48 -0.66 119.66 122.37 3hso s GLN 693 Ca 0.35 -0.31 -0.29 0.00 -2.00 0.00 0.00 55.36 53.11 3hso s GLN 693 Cb 0.21 -3.55 -0.09 0.00 0.80 0.00 0.00 33.01 30.37 3hso s GLN 693 CO 0.32 -0.03 1.21 -1.21 -0.50 0.00 0.00 175.29 175.08 3hso s GLU 694 N 1.32 4.49 0.06 1.67 2.02 -0.87 -4.98 118.70 122.41 3hso s GLU 694 Ca 0.07 1.97 0.06 0.00 0.02 0.00 0.00 54.97 57.09 3hso s GLU 694 Cb -0.14 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 3hso s GLU 694 CO 0.07 -0.03 -0.16 -1.64 0.02 0.00 0.00 175.26 173.52 3hso s MET 695 N -1.09 0.99 -0.23 1.61 -1.94 -1.26 -4.67 119.30 112.71 3hso s MET 695 Ca 0.49 -0.92 -0.08 0.00 -1.71 0.00 0.00 55.69 53.48 3hso s MET 695 Cb -0.35 -1.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 3hso s MET 695 CO 0.43 0.25 0.08 -0.51 -0.01 0.00 0.00 175.02 175.26 3hso s LEU 696 N -1.48 3.65 -0.24 -0.03 1.43 -1.26 -4.92 118.68 115.83 3hso s LEU 696 Ca 0.02 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 3hso s LEU 696 Cb -0.09 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3hso s LEU 696 CO 0.02 0.04 0.10 0.21 0.23 0.00 0.00 176.35 176.95 3hso s ASN 697 N 1.16 5.47 0.20 2.29 2.47 -1.21 -1.01 114.94 124.31 3hso s ASN 697 Ca 0.05 -0.09 -0.11 0.00 0.42 0.00 0.00 52.86 53.13 3hso s ASN 697 Cb -0.14 -1.98 -0.00 0.00 -1.45 0.00 0.00 41.25 37.67 3hso s ASN 697 CO 0.04 0.02 0.37 -0.72 -3.72 0.00 0.00 177.10 173.09 3hso s TYR 698 N 1.32 0.34 -0.34 0.43 1.13 -1.26 -4.95 117.35 114.02 3hso s TYR 698 Ca 0.06 -0.69 -0.11 0.00 -1.41 0.00 0.00 57.07 54.91 3hso s TYR 698 Cb -0.15 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 3hso s TYR 698 CO 0.05 -0.83 0.20 0.50 -2.51 0.00 0.00 175.55 172.95 3hso s ARG 699 N -3.98 3.23 0.03 -3.49 3.52 -1.26 -4.81 118.95 112.19 3hso s ARG 699 Ca 0.19 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3hso s ARG 699 Cb 0.02 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 3hso s ARG 699 CO 0.03 -0.52 0.11 -0.51 -0.81 0.00 0.00 175.30 173.60 3hso s LEU 700 N 1.63 3.99 0.14 -0.88 1.43 -1.26 -3.32 118.68 120.41 3hso s LEU 700 Ca 0.04 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 3hso s LEU 700 Cb -0.18 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 3hso s LEU 700 CO 0.08 0.23 0.06 0.42 0.23 0.00 0.00 176.35 177.37 3hso s THR 701 N -1.31 4.19 0.79 5.49 -4.23 -1.26 -4.23 115.64 115.08 3hso s THR 701 Ca 0.27 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.54 3hso s THR 701 Cb -0.12 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.69 3hso s THR 701 CO 0.19 -0.02 1.05 -2.65 -0.54 0.00 0.00 174.62 172.65 3hso n PRO 702 N 0.05 0.27 -3.89 3.99 -0.02 -1.26 -4.99 135.00 129.14 3hso n PRO 702 Ca -0.09 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 3hso n PRO 702 Cb 0.54 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 3hso n PRO 702 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hso s SER 703 N -1.92 0.08 -0.10 2.55 0.15 -0.64 -3.79 113.70 110.02 3hso s SER 703 Ca 0.72 -0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.91 3hso s SER 703 Cb -0.31 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.16 3hso s SER 703 CO 0.52 -0.42 0.31 -0.36 1.20 0.00 0.00 173.24 174.49 3hso s PHE 704 N -1.81 3.57 0.09 3.44 0.08 -1.26 -0.17 117.98 121.92 3hso s PHE 704 Ca -0.12 0.72 0.03 0.00 0.12 0.00 0.00 56.93 57.68 3hso s PHE 704 Cb -0.06 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 3hso s PHE 704 CO -0.01 0.46 -0.09 -1.21 -0.10 0.00 0.00 175.22 174.27 3hso s GLU 705 N -0.29 0.80 0.67 0.44 0.41 0.61 -4.94 118.70 116.40 3hso s GLU 705 Ca 0.19 -1.12 -0.13 0.00 -0.41 0.00 0.00 54.97 53.49 3hso s GLU 705 Cb -0.14 -0.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.75 3hso s GLU 705 CO 0.07 0.07 1.07 0.71 -0.49 0.00 0.00 175.26 176.69 3hso s TYR 706 N -2.44 2.92 0.05 1.61 2.02 -1.26 -0.69 117.35 119.55 3hso s TYR 706 Ca 0.04 1.49 -0.03 0.00 -0.37 0.00 0.00 57.07 58.20 3hso s TYR 706 Cb -0.03 -2.99 -0.02 0.00 -0.40 0.00 0.00 41.96 38.52 3hso s TYR 706 CO -0.01 -1.35 0.04 1.14 -1.57 0.00 0.00 175.55 173.81 3hso s GLN 707 N -4.58 0.58 0.68 -0.62 -2.07 -1.26 -4.73 119.66 107.67 3hso s GLN 707 Ca 0.61 -0.94 -0.15 0.00 -1.82 0.00 0.00 55.36 53.07 3hso s GLN 707 Cb -0.16 0.22 0.01 0.00 -1.09 0.00 0.00 33.01 31.99 3hso s GLN 707 CO 0.47 -0.13 1.13 -2.14 -1.32 0.00 0.00 175.29 173.31 3hso s PRO 708 N -3.09 2.59 0.26 9.60 0.02 -1.26 -4.94 135.00 138.18 3hso s PRO 708 Ca -0.01 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.18 3hso s PRO 708 Cb 0.02 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 3hso s PRO 708 CO -0.07 -1.43 1.54 -0.51 -0.33 0.00 0.00 177.00 176.20 3hso s ASP 709 N -2.48 6.50 0.54 2.53 1.01 -1.26 -4.87 116.67 118.64 3hso s ASP 709 Ca 0.68 2.81 0.29 0.00 0.71 0.00 0.00 52.55 57.05 3hso s ASP 709 Cb -0.22 -2.63 1.56 0.00 1.01 0.00 0.00 42.92 42.64 3hso s ASP 709 CO 0.43 -0.83 2.11 1.55 0.21 0.00 0.00 175.17 178.64 3hso h PRO 710 N 5.14 0.00 0.00 8.23 0.13 -1.92 -0.32 132.00 143.26 3hso h PRO 710 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3hso h PRO 710 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hso h PRO 710 CO 0.80 0.09 -0.08 0.11 -0.23 0.00 0.00 178.00 178.69 3hso h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.31 115.95 115.96 3hso h TRP 711 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3hso h TRP 711 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.53 3hso h TRP 711 CO 0.00 0.08 0.00 0.09 0.09 0.00 0.00 178.44 178.70 3hso n ASN 712 N -3.25 0.19 0.00 0.11 3.02 -0.13 -4.29 115.26 110.91 3hso n ASN 712 Ca -0.00 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 3hso n ASN 712 Cb 0.32 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3hso n ASN 712 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hso n THR 713 N -1.68 0.00 -1.76 3.41 -2.24 -0.68 -5.06 114.28 106.27 3hso n THR 713 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3hso n THR 713 Cb 0.30 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3hso n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hso s HIS 714 N -0.70 2.93 -0.52 4.78 5.04 0.10 -4.95 115.29 121.97 3hso s HIS 714 Ca 0.00 0.40 -0.24 0.00 -1.54 0.00 0.00 55.06 53.67 3hso s HIS 714 Cb 0.00 -4.11 0.04 0.00 0.04 0.00 0.00 32.58 28.55 3hso s HIS 714 CO 0.00 -4.16 0.92 0.08 -2.34 0.00 0.00 174.74 169.24 3hso s VAL 715 N 1.15 4.44 0.02 0.89 1.01 -1.26 -5.02 120.40 121.63 3hso s VAL 715 Ca 0.74 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 3hso s VAL 715 Cb -0.49 -4.49 -0.06 0.00 0.00 0.00 0.00 36.38 31.35 3hso s VAL 715 CO 0.32 -1.00 1.32 0.26 0.00 0.00 0.00 175.10 176.00 3hso s TRP 716 N 3.82 3.11 0.11 5.22 0.52 -1.26 -4.89 118.94 125.57 3hso s TRP 716 Ca 0.32 1.01 0.03 0.00 0.02 0.00 0.00 56.10 57.48 3hso s TRP 716 Cb -0.12 -3.57 -0.21 0.00 -1.15 0.00 0.00 33.47 28.42 3hso s TRP 716 CO 0.21 -1.99 1.25 0.87 0.02 0.00 0.00 176.95 177.30 3hso h LYS 717 N 7.36 0.11 0.00 4.98 1.79 -1.95 -3.51 116.57 125.35 3hso h LYS 717 Ca -0.39 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 3hso h LYS 717 Cb 1.19 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3hso h LYS 717 CO 0.87 1.07 0.00 0.41 -1.08 0.00 0.00 179.45 180.72