#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hso s PHE 300 N 0.00 3.00 -0.07 -0.14 0.08 -1.26 -4.85 117.98 114.73 3hso s PHE 300 Ca 0.00 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.37 3hso s PHE 300 Cb 0.00 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3hso s PHE 300 CO 0.00 -0.40 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.13 3hso s LEU 301 N 1.29 3.14 -0.08 -0.37 1.43 -0.90 -4.94 118.68 118.25 3hso s LEU 301 Ca 0.04 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3hso s LEU 301 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3hso s LEU 301 CO -0.00 0.35 0.15 -0.54 0.23 0.00 0.00 176.35 176.54 3hso s LYS 302 N -0.71 3.44 -0.05 1.70 -0.14 -1.26 0.60 119.74 123.31 3hso s LYS 302 Ca 0.11 -0.20 0.05 0.00 -1.36 0.00 0.00 55.97 54.58 3hso s LYS 302 Cb -0.11 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 32.87 3hso s LYS 302 CO 0.02 0.74 -0.21 0.14 -0.76 0.00 0.00 175.35 175.28 3hso s VAL 303 N -1.13 1.74 -0.08 3.17 -7.23 -0.17 -4.96 120.40 111.75 3hso s VAL 303 Ca 0.19 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3hso s VAL 303 Cb -0.12 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3hso s VAL 303 CO 0.09 0.49 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.54 3hso s LYS 304 N -0.10 2.84 -0.30 4.82 2.20 -1.26 -1.23 119.74 126.71 3hso s LYS 304 Ca -0.03 -0.58 -0.18 0.00 -0.36 0.00 0.00 55.97 54.82 3hso s LYS 304 Cb -0.12 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 3hso s LYS 304 CO 0.03 0.58 0.54 1.21 -0.36 0.00 0.00 175.35 177.35 3hso s ASN 305 N -0.60 6.40 0.00 1.43 3.84 -0.45 -1.28 114.94 124.28 3hso s ASN 305 Ca 0.09 0.32 0.31 0.00 0.21 0.00 0.00 52.86 53.78 3hso s ASN 305 Cb -0.12 -2.29 1.60 0.00 -0.55 0.00 0.00 41.25 39.90 3hso s ASN 305 CO 0.02 -0.39 2.09 0.79 -2.79 0.00 0.00 177.10 176.81 3hso n TRP 306 N 5.68 0.00 -0.07 0.43 7.02 0.06 0.28 117.44 130.84 3hso n TRP 306 Ca -0.04 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.26 3hso n TRP 306 Cb 0.49 -0.20 -0.13 0.00 -2.42 0.00 0.00 31.31 29.05 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 -1.18 0.69 0.00 -0.99 2.13 -1.26 -4.51 120.64 115.52 3hso n GLU 307 Ca 0.17 0.19 0.07 0.00 0.66 0.00 0.00 57.16 58.25 3hso n GLU 307 Cb 0.21 -1.60 -0.07 0.00 0.27 0.00 0.00 31.44 30.25 3hso n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3hso n THR 308 N -3.31 0.00 -0.64 6.31 -2.24 -1.16 -4.98 114.28 108.25 3hso n THR 308 Ca -0.39 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3hso n THR 308 Cb 1.02 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 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 -1.19 -1.25 -4.74 3.42 9.92 0.14 -4.97 116.55 117.89 3hso n ASP 309 Ca 0.03 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.87 3hso n ASP 309 Cb 0.23 -2.49 -0.02 0.00 -0.64 0.00 0.00 41.12 38.20 3hso n ASP 309 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3hso n VAL 310 N -2.02 1.00 -4.84 2.53 0.31 -1.24 -4.76 118.33 109.31 3hso n VAL 310 Ca 0.00 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.75 3hso n VAL 310 Cb 0.10 -1.95 -0.16 0.00 -0.91 0.00 0.00 33.84 30.92 3hso n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hso s VAL 311 N 0.02 2.37 0.13 2.52 1.01 -1.26 -1.34 120.40 123.84 3hso s VAL 311 Ca 0.64 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3hso s VAL 311 Cb -0.50 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3hso s VAL 311 CO 0.48 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 175.31 3hso s LEU 312 N 0.58 3.20 -0.20 3.92 1.43 -0.37 -4.95 118.68 122.28 3hso s LEU 312 Ca -0.11 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3hso s LEU 312 Cb -0.16 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3hso s LEU 312 CO 0.04 0.15 -0.02 -0.89 0.23 0.00 0.00 176.35 175.85 3hso s THR 313 N -1.41 3.68 -0.25 5.49 2.01 -1.26 -1.00 115.64 122.91 3hso s THR 313 Ca 0.24 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 3hso s THR 313 Cb -0.11 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 3hso s THR 313 CO 0.16 0.43 0.21 -0.62 -0.69 0.00 0.00 174.62 174.11 3hso s ASP 314 N 1.12 6.14 -0.00 3.53 -1.08 0.20 -4.69 116.67 121.89 3hso s ASP 314 Ca 0.02 0.14 0.03 0.00 -0.52 0.00 0.00 52.55 52.22 3hso s ASP 314 Cb -0.15 -2.13 -0.04 0.00 -1.46 0.00 0.00 42.92 39.15 3hso s ASP 314 CO 0.00 0.00 0.12 0.35 0.52 0.00 0.00 175.17 176.17 3hso n THR 315 N 4.53 0.00 0.22 1.71 -2.24 -0.01 -2.11 114.28 116.38 3hso n THR 315 Ca -0.14 -0.35 0.09 0.00 -2.27 0.00 0.00 64.05 61.38 3hso n THR 315 Cb 0.52 0.88 0.47 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.00 -2.57 3.22 5.85 -1.67 -2.60 115.31 117.54 3hso h LEU 316 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hso h LEU 316 Cb 0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3hso h LEU 316 CO 0.00 0.25 -0.01 1.12 -0.34 0.00 0.00 178.44 179.46 3hso h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 -1.29 115.15 115.34 3hso h HIS 317 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3hso h HIS 317 Cb 0.71 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.69 3hso h HIS 317 CO 0.00 0.01 -0.03 -0.07 -3.07 0.00 0.00 177.93 174.77 3hso h LEU 318 N 0.00 0.00 0.00 6.12 3.38 -1.79 -0.92 115.31 122.10 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 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hso h LEU 318 CO 0.00 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.85 3hso n LYS 319 N -3.13 0.24 -1.88 1.13 4.76 -0.49 -4.88 118.16 113.91 3hso n LYS 319 Ca 0.01 0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 55.13 3hso n LYS 319 Cb 0.38 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.69 6.46 -0.04 4.39 0.15 -0.35 -4.94 113.70 116.68 3hso s SER 320 Ca 0.19 2.92 -0.08 0.00 0.70 0.00 0.00 55.95 59.68 3hso s SER 320 Cb 0.15 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3hso s SER 320 CO 0.36 -0.80 -0.16 0.35 1.20 0.00 0.00 173.24 174.19 3hso n THR 321 N 1.07 1.32 -2.22 6.45 -2.24 -1.15 -5.03 114.28 112.48 3hso n THR 321 Ca 0.03 0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.80 3hso n THR 321 Cb 0.39 -1.93 0.12 0.00 -2.10 0.00 0.00 70.33 66.82 3hso n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hso s LEU 322 N -7.38 2.83 0.70 3.22 1.02 -1.26 -5.06 118.68 112.75 3hso s LEU 322 Ca -0.14 0.15 -0.11 0.00 0.02 0.00 0.00 54.13 54.06 3hso s LEU 322 Cb 0.02 -2.51 0.01 0.00 0.02 0.00 0.00 46.19 43.73 3hso s LEU 322 CO 0.20 -2.05 1.06 -1.61 0.02 0.00 0.00 176.35 173.97 3hso s GLU 323 N -5.43 2.90 -0.06 1.70 2.02 -1.26 -4.58 118.70 113.98 3hso s GLU 323 Ca 0.67 0.84 0.20 0.00 0.02 0.00 0.00 54.97 56.70 3hso s GLU 323 Cb -0.07 -1.99 -0.30 0.00 0.10 0.00 0.00 34.13 31.87 3hso s GLU 323 CO 0.47 -1.10 0.36 0.25 0.02 0.00 0.00 175.26 175.27 3hso n THR 324 N -3.11 0.30 0.00 3.63 -2.24 -1.26 -4.77 114.28 106.82 3hso n THR 324 Ca 0.07 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3hso n THR 324 Cb 0.54 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.44 2.63 3.90 3.38 0.00 -1.26 -4.95 105.19 110.34 3hso n GLY 325 Ca -0.10 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.12 0.00 0.24 0.00 -2.24 -0.18 -4.99 114.28 104.00 3hso n THR 327 Ca 0.07 -1.52 0.07 0.00 -2.27 0.00 0.00 64.05 60.41 3hso n THR 327 Cb 0.59 0.53 0.58 0.00 -2.10 0.00 0.00 70.33 69.93 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 3.07 -2.05 -3.13 114.58 111.69 3hso h GLU 328 Ca -0.21 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.52 3hso h GLU 328 Cb 0.78 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 3hso h GLU 328 CO 0.33 0.14 -1.64 0.72 -1.40 0.00 0.00 179.01 177.16 3hso n HIS 329 N -4.23 0.61 -3.67 4.33 8.25 -1.26 -4.95 115.22 114.30 3hso n HIS 329 Ca -0.02 0.20 -0.19 0.00 -0.26 0.00 0.00 57.72 57.44 3hso n HIS 329 Cb 0.21 -0.92 -0.17 0.00 1.12 0.00 0.00 29.99 30.23 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 -3.06 -0.15 -0.19 1.59 2.07 -1.18 -5.13 121.20 115.16 3hso s ILE 330 Ca -0.05 0.41 -0.18 0.00 -1.41 0.00 0.00 60.65 59.42 3hso s ILE 330 Cb 0.10 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 3hso s ILE 330 CO 0.83 0.17 0.49 0.00 -1.91 0.00 0.00 174.94 174.52 3hso n MET 332 N 4.54 2.26 0.25 0.00 0.00 -1.26 -4.79 117.12 118.12 3hso n MET 332 Ca -0.06 -3.39 0.17 0.00 0.00 0.00 0.00 57.70 54.43 3hso n MET 332 Cb 0.51 -1.96 0.89 0.00 0.00 0.00 0.00 33.22 32.65 3hso n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3hso h GLY 333 N 1.33 0.00 -1.62 3.03 0.00 -1.94 -2.60 103.07 101.28 3hso h GLY 333 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3hso h GLY 333 CO 0.61 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.01 3hso n SER 334 N -3.68 2.90 -4.69 0.19 3.41 -1.26 -4.81 113.62 105.67 3hso n SER 334 Ca -0.00 -1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 56.33 3hso n SER 334 Cb 0.25 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.18 4.63 0.24 -1.33 -1.09 -0.98 -4.97 121.20 116.53 3hso s ILE 335 Ca 0.27 1.92 -0.07 0.00 -2.23 0.00 0.00 60.65 60.53 3hso s ILE 335 Cb 0.16 -4.23 0.22 0.00 -1.58 0.00 0.00 42.46 37.03 3hso s ILE 335 CO 0.22 0.00 1.91 0.24 -1.23 0.00 0.00 174.94 176.08 3hso h MET 336 N 7.20 1.22 -2.67 2.79 2.86 -1.92 -3.37 114.93 121.03 3hso h MET 336 Ca -0.32 -0.07 -0.60 0.00 -2.06 0.00 0.00 59.70 56.65 3hso h MET 336 Cb 1.15 -0.27 -0.39 0.00 0.06 0.00 0.00 31.60 32.14 3hso h MET 336 CO 0.86 0.81 -0.82 -0.51 1.06 0.00 0.00 176.91 178.31 3hso s LEU 337 N -10.12 2.44 -0.10 1.22 1.43 -1.26 -5.14 118.68 107.15 3hso s LEU 337 Ca -0.13 -3.11 0.07 0.00 -1.03 0.00 0.00 54.13 49.93 3hso s LEU 337 Cb 0.17 -0.83 0.37 0.00 0.03 0.00 0.00 46.19 45.93 3hso s LEU 337 CO 0.81 -0.18 1.10 -0.81 0.23 0.00 0.00 176.35 177.50 3hso n PRO 338 N 2.85 2.70 -2.72 1.29 -0.04 -1.26 -5.20 135.00 132.62 3hso n PRO 338 Ca 0.22 -1.44 -0.30 0.00 -0.04 0.00 0.00 63.50 61.94 3hso n PRO 338 Cb 0.41 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 3hso n PRO 338 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hso s VAL 348 N -1.79 4.78 -0.03 0.52 -7.23 -1.26 -5.00 120.40 110.39 3hso s VAL 348 Ca 0.25 0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 60.74 3hso s VAL 348 Cb 0.19 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 3hso s VAL 348 CO 0.08 -0.63 1.03 -0.13 -0.31 0.00 0.00 175.10 175.15 3hso s ARG 349 N -4.10 4.49 0.72 4.82 0.52 -1.26 -5.04 118.95 119.11 3hso s ARG 349 Ca 0.51 1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 57.09 3hso s ARG 349 Cb -0.10 -3.48 0.03 0.00 0.52 0.00 0.00 34.95 31.91 3hso s ARG 349 CO 0.35 -0.19 1.07 0.95 0.02 0.00 0.00 175.30 177.50 3hso s THR 350 N 1.42 3.77 0.26 0.02 -4.23 -1.26 -4.71 115.64 110.92 3hso s THR 350 Ca 0.52 0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.56 3hso s THR 350 Cb -0.21 -3.24 0.31 0.00 1.34 0.00 0.00 72.50 70.69 3hso s THR 350 CO 0.25 -0.75 1.62 0.11 -0.54 0.00 0.00 174.62 175.31 3hso h LYS 351 N -0.86 0.09 -0.88 3.99 1.57 -1.92 0.24 116.57 118.80 3hso h LYS 351 Ca -0.44 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hso h LYS 351 Cb 1.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3hso h LYS 351 CO 0.55 0.06 0.54 -0.44 -0.57 0.00 0.00 179.45 179.60 3hso h ASP 352 N 0.09 1.04 -0.30 0.86 5.19 -1.98 -1.76 116.42 119.56 3hso h ASP 352 Ca 0.46 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.78 3hso h ASP 352 Cb 0.84 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3hso h ASP 352 CO -0.72 0.79 0.05 1.56 -3.12 0.00 0.00 179.24 177.79 3hso h GLN 353 N 1.20 0.49 -0.45 3.56 4.20 -1.15 -3.36 115.11 119.60 3hso h GLN 353 Ca 0.32 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 3hso h GLN 353 Cb -0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3hso h GLN 353 CO -0.06 0.59 0.02 1.25 -0.67 0.00 0.00 178.83 179.96 3hso h LEU 354 N 0.31 0.76 -0.48 1.46 5.85 -0.01 -3.29 115.31 119.91 3hso h LEU 354 Ca 0.09 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 3hso h LEU 354 Cb 0.34 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3hso h LEU 354 CO 0.01 0.87 0.13 0.15 -0.34 0.00 0.00 178.44 179.25 3hso h PHE 355 N 0.63 0.80 -0.61 1.25 3.57 -1.49 0.28 116.94 121.37 3hso h PHE 355 Ca 0.13 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hso h PHE 355 Cb 0.47 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3hso h PHE 355 CO 0.04 0.72 0.41 -1.00 -2.23 0.00 0.00 178.31 176.24 3hso h PRO 356 N 0.66 0.74 -0.32 6.41 0.13 -1.75 0.13 132.00 138.00 3hso h PRO 356 Ca 0.15 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.12 3hso h PRO 356 Cb 0.31 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 3hso h PRO 356 CO -0.00 0.49 -0.28 -0.07 -0.23 0.00 0.00 178.00 177.91 3hso h LEU 357 N 0.76 0.79 -0.14 1.56 3.38 -1.42 0.68 115.31 120.92 3hso h LEU 357 Ca 0.24 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hso h LEU 357 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hso h LEU 357 CO -0.06 1.08 0.08 0.00 0.09 0.00 0.00 178.44 179.64 3hso h ALA 358 N 0.73 0.18 -0.54 1.53 0.00 0.03 -1.72 119.26 119.47 3hso h ALA 358 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hso h ALA 358 Cb 0.85 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3hso h ALA 358 CO 0.07 -0.31 0.34 -0.22 0.00 0.00 0.00 179.25 179.14 3hso h LYS 359 N 0.15 0.72 -0.39 0.00 3.64 -0.68 0.14 116.57 120.14 3hso h LYS 359 Ca 0.05 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3hso h LYS 359 Cb 0.04 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 3hso h LYS 359 CO -0.01 0.50 0.08 1.49 -2.27 0.00 0.00 179.45 179.24 3hso h GLU 360 N 0.73 0.20 0.31 1.90 4.81 -0.71 -0.33 114.58 121.49 3hso h GLU 360 Ca 0.20 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hso h GLU 360 Cb -0.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3hso h GLU 360 CO -0.04 0.13 -0.15 0.35 -0.73 0.00 0.00 179.01 178.57 3hso h PHE 361 N 0.21 -0.39 -0.99 0.92 3.57 -0.74 -2.43 116.94 117.08 3hso h PHE 361 Ca 0.19 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.81 3hso h PHE 361 Cb 0.22 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 3hso h PHE 361 CO -0.20 -0.10 0.62 -0.07 -2.23 0.00 0.00 178.31 176.34 3hso h LEU 362 N -0.66 0.89 -0.18 0.59 3.38 -0.64 0.23 115.31 118.91 3hso h LEU 362 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hso h LEU 362 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hso h LEU 362 CO 0.07 0.45 0.05 0.44 0.09 0.00 0.00 178.44 179.53 3hso h ASP 363 N 0.94 0.04 -0.36 -0.43 3.32 -0.99 0.18 116.42 119.12 3hso h ASP 363 Ca 0.51 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.50 3hso h ASP 363 Cb 0.56 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3hso h ASP 363 CO -0.29 0.05 -0.06 0.06 -1.72 0.00 0.00 179.24 177.28 3hso h GLN 364 N 0.13 0.77 -0.20 3.56 3.07 -0.68 0.49 115.11 122.24 3hso h GLN 364 Ca 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.59 3hso h GLN 364 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 3hso h GLN 364 CO -0.10 0.82 0.14 -0.92 0.09 0.00 0.00 178.83 178.86 3hso h TYR 365 N 0.71 0.26 -0.11 0.06 3.20 0.02 -1.16 116.97 119.94 3hso h TYR 365 Ca 0.13 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.85 3hso h TYR 365 Cb 0.52 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3hso h TYR 365 CO 0.03 0.16 -0.60 1.88 -1.64 0.00 0.00 178.16 177.99 3hso h TYR 366 N 0.28 0.48 -0.79 -3.82 0.05 -0.41 -2.16 116.97 110.59 3hso h TYR 366 Ca 0.07 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 58.71 3hso h TYR 366 Cb -0.03 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.58 3hso h TYR 366 CO -0.06 0.88 0.50 1.03 -1.05 0.00 0.00 178.16 179.46 3hso h SER 367 N 0.28 0.84 0.02 3.88 0.87 -0.82 0.11 113.55 118.73 3hso h SER 367 Ca -0.00 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3hso h SER 367 Cb 1.12 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3hso h SER 367 CO 0.10 0.58 -0.21 0.77 -0.53 0.00 0.00 176.83 177.54 3hso h SER 368 N 0.98 0.33 -0.43 6.23 4.64 -0.57 -1.97 113.55 122.76 3hso h SER 368 Ca 0.32 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hso h SER 368 Cb 0.01 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3hso h SER 368 CO -0.11 0.56 0.00 2.30 -0.87 0.00 0.00 176.83 178.70 3hso n ILE 369 N -4.18 1.56 -3.84 0.95 -5.35 -1.00 -4.94 119.36 102.56 3hso n ILE 369 Ca -0.00 -0.88 -0.28 0.00 -0.27 0.00 0.00 62.75 61.31 3hso n ILE 369 Cb 0.35 -0.15 0.03 0.00 -1.74 0.00 0.00 39.64 38.13 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 0.59 -5.73 -1.06 6.28 5.02 -0.74 -4.87 118.16 117.65 3hso n LYS 370 Ca 0.19 0.63 0.05 0.00 -2.02 0.00 0.00 58.31 57.15 3hso n LYS 370 Cb 0.77 -5.49 0.12 0.00 -0.02 0.00 0.00 35.03 30.41 3hso n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hso n ARG 371 N -4.65 0.88 -1.85 1.97 5.12 0.36 -5.03 116.66 113.46 3hso n ARG 371 Ca -0.02 -2.72 -0.42 0.00 -1.93 0.00 0.00 57.85 52.76 3hso n ARG 371 Cb 0.56 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.95 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 -1.75 2.97 0.00 -1.55 2.19 -0.99 -2.17 117.98 116.68 3hso s PHE 372 Ca 0.36 0.57 0.00 0.00 0.33 0.00 0.00 56.93 58.19 3hso s PHE 372 Cb 0.38 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 38.08 3hso s PHE 372 CO -0.11 -3.71 0.00 0.41 1.83 0.00 0.00 175.22 173.63 3hso n GLY 373 N 3.56 0.51 3.77 13.12 0.00 -1.26 -5.00 105.19 119.88 3hso n GLY 373 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.28 3.95 0.17 1.61 1.04 -0.92 -4.83 113.70 112.42 3hso s SER 374 Ca 0.00 1.28 -0.12 0.00 0.48 0.00 0.00 55.95 57.59 3hso s SER 374 Cb 0.00 -1.97 0.06 0.00 0.10 0.00 0.00 66.02 64.21 3hso s SER 374 CO 0.00 -2.31 1.71 0.50 0.98 0.00 0.00 173.24 174.12 3hso h LYS 375 N -1.33 0.85 -0.72 4.02 3.64 -1.95 -0.43 116.57 120.65 3hso h LYS 375 Ca -0.49 -0.16 0.15 0.00 -1.27 0.00 0.00 60.65 58.87 3hso h LYS 375 Cb 1.29 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 3hso h LYS 375 CO 0.58 0.75 0.22 0.00 -2.27 0.00 0.00 179.45 178.74 3hso h ALA 376 N 1.06 0.96 0.66 5.00 0.00 -1.93 0.88 119.26 125.90 3hso h ALA 376 Ca 0.19 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hso h ALA 376 Cb 0.23 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hso h ALA 376 CO -0.01 -0.28 -0.32 1.25 0.00 0.00 0.00 179.25 179.89 3hso h HIS 377 N 0.34 -0.83 -0.79 0.00 -0.00 -1.69 -1.94 115.15 110.24 3hso h HIS 377 Ca 0.40 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.74 3hso h HIS 377 Cb 0.64 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.29 3hso h HIS 377 CO -0.22 -0.51 0.44 0.52 -0.00 0.00 0.00 177.93 178.16 3hso h MET 378 N -0.91 1.10 -0.68 5.26 2.07 -0.42 -1.77 114.93 119.58 3hso h MET 378 Ca -0.09 -0.13 0.10 0.00 -2.07 0.00 0.00 59.70 57.51 3hso h MET 378 Cb 0.69 -0.22 -0.07 0.00 -1.87 0.00 0.00 31.60 30.13 3hso h MET 378 CO 0.15 0.81 0.31 -0.44 1.07 0.00 0.00 176.91 178.82 3hso h ASP 379 N 1.10 0.38 -0.19 1.22 5.19 0.78 -2.24 116.42 122.65 3hso h ASP 379 Ca 0.28 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.70 3hso h ASP 379 Cb 0.03 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 3hso h ASP 379 CO -0.05 0.21 -0.10 -0.09 -3.12 0.00 0.00 179.24 176.10 3hso h ARG 380 N 0.53 0.41 -0.66 3.56 9.65 -0.52 -1.80 114.38 125.55 3hso h ARG 380 Ca 0.34 -0.18 0.09 0.00 -1.10 0.00 0.00 59.98 59.13 3hso h ARG 380 Cb 0.39 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 3hso h ARG 380 CO -0.29 0.71 0.30 -0.07 2.80 0.00 0.00 179.97 183.42 3hso h LEU 381 N 0.09 0.36 -0.28 3.80 3.38 -1.25 0.39 115.31 121.81 3hso h LEU 381 Ca 0.04 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hso h LEU 381 Cb 0.59 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hso h LEU 381 CO 0.03 0.21 -0.02 -0.08 0.09 0.00 0.00 178.44 178.67 3hso h GLU 382 N 0.52 0.51 -0.66 1.13 4.57 -1.31 0.12 114.58 119.46 3hso h GLU 382 Ca 0.33 -0.17 0.08 0.00 -1.18 0.00 0.00 59.36 58.42 3hso h GLU 382 Cb 0.37 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 3hso h GLU 382 CO -0.28 0.68 0.32 1.49 -1.18 0.00 0.00 179.01 180.04 3hso h GLU 383 N 0.29 0.54 -0.20 1.92 4.81 -0.76 0.27 114.58 121.45 3hso h GLU 383 Ca 0.08 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3hso h GLU 383 Cb 0.46 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hso h GLU 383 CO 0.02 0.36 -0.33 0.28 -0.73 0.00 0.00 179.01 178.60 3hso h VAL 384 N 0.56 1.33 -0.42 0.32 2.07 -0.70 -1.90 116.25 117.51 3hso h VAL 384 Ca 0.32 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.38 3hso h VAL 384 Cb 0.33 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.84 3hso h VAL 384 CO -0.26 0.48 -0.25 -1.13 0.02 0.00 0.00 177.57 176.43 3hso h ASN 385 N 0.26 -0.86 -0.96 0.57 -1.24 -0.31 0.13 115.58 113.17 3hso h ASN 385 Ca 0.02 0.18 0.02 0.00 0.71 0.00 0.00 56.30 57.22 3hso h ASN 385 Cb 0.92 0.43 -0.05 0.00 0.73 0.00 0.00 38.32 40.36 3hso h ASN 385 CO 0.08 -0.27 0.64 0.11 -1.29 0.00 0.00 177.43 176.69 3hso h LYS 386 N -0.17 1.24 -0.27 6.67 1.57 -0.32 -1.44 116.57 123.84 3hso h LYS 386 Ca 0.20 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 3hso h LYS 386 Cb 0.49 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hso h LYS 386 CO -0.53 0.82 -0.56 1.49 -0.57 0.00 0.00 179.45 180.10 3hso h GLU 387 N 1.28 0.82 -0.34 3.15 4.81 -0.51 -0.88 114.58 122.92 3hso h GLU 387 Ca 0.36 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3hso h GLU 387 Cb -0.11 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3hso h GLU 387 CO -0.09 1.16 0.12 0.82 -0.73 0.00 0.00 179.01 180.30 3hso h ILE 388 N 0.63 1.20 -0.86 2.32 2.04 -0.48 0.13 117.51 122.48 3hso h ILE 388 Ca 0.01 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3hso h ILE 388 Cb 1.16 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3hso h ILE 388 CO 0.12 0.21 0.51 -0.08 0.00 0.00 0.00 178.15 178.92 3hso h GLU 389 N 0.40 1.18 0.21 2.37 4.57 -1.12 0.56 114.58 122.74 3hso h GLU 389 Ca 0.11 -0.11 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 3hso h GLU 389 Cb 0.22 -0.24 0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3hso h GLU 389 CO -0.01 0.83 -1.56 1.03 -1.18 0.00 0.00 179.01 178.13 3hso h SER 390 N 1.19 0.69 -0.03 1.04 0.87 -1.07 -3.39 113.55 112.85 3hso h SER 390 Ca 0.31 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 3hso h SER 390 Cb -0.04 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3hso h SER 390 CO -0.06 1.68 0.00 0.35 -0.53 0.00 0.00 176.83 178.27 3hso n THR 391 N -3.63 0.16 -0.26 2.23 -2.24 0.45 -5.01 114.28 105.99 3hso n THR 391 Ca -0.19 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3hso n THR 391 Cb 1.08 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 3hso n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hso n SER 392 N 0.24 0.00 -1.70 3.42 3.41 0.20 -4.90 113.62 114.29 3hso n SER 392 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.58 3hso n SER 392 Cb 0.16 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 62.71 3hso n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3hso n THR 393 N -2.00 0.00 -4.03 6.66 5.66 -1.26 -4.68 114.28 114.64 3hso n THR 393 Ca 0.00 -0.74 -0.10 0.00 -3.05 0.00 0.00 64.05 60.16 3hso n THR 393 Cb 0.00 0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.64 0.50 -0.13 1.09 1.13 -1.26 -3.13 117.35 112.90 3hso s TYR 394 Ca 0.12 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 3hso s TYR 394 Cb 0.01 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.94 3hso s TYR 394 CO 0.09 -0.95 -0.15 -0.65 -2.51 0.00 0.00 175.55 171.37 3hso s GLN 395 N -3.99 3.31 0.38 -3.49 -1.52 -1.26 -5.05 119.66 108.03 3hso s GLN 395 Ca 0.25 -0.72 -0.26 0.00 -1.95 0.00 0.00 55.36 52.68 3hso s GLN 395 Cb 0.00 -2.60 -0.09 0.00 -0.22 0.00 0.00 33.01 30.11 3hso s GLN 395 CO 0.10 0.16 1.16 -0.51 -0.25 0.00 0.00 175.29 175.94 3hso s LEU 396 N 0.48 4.26 0.71 2.90 1.43 -1.26 -5.03 118.68 122.16 3hso s LEU 396 Ca -0.10 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 3hso s LEU 396 Cb -0.16 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.13 3hso s LEU 396 CO 0.05 -0.57 1.08 -0.54 0.23 0.00 0.00 176.35 176.60 3hso s LYS 397 N -2.15 2.71 0.25 1.70 -0.14 -1.26 -4.82 119.74 116.03 3hso s LYS 397 Ca 0.55 1.13 -0.04 0.00 -1.36 0.00 0.00 55.97 56.25 3hso s LYS 397 Cb -0.31 -1.95 0.36 0.00 -1.68 0.00 0.00 37.83 34.25 3hso s LYS 397 CO 0.39 -1.29 1.86 -0.44 -0.76 0.00 0.00 175.35 175.12 3hso h ASP 398 N -0.61 0.92 -0.65 2.83 5.19 -1.99 0.15 116.42 122.26 3hso h ASP 398 Ca -0.45 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 3hso h ASP 398 Cb 1.22 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 3hso h ASP 398 CO 0.54 0.59 0.37 0.71 -3.12 0.00 0.00 179.24 178.33 3hso h THR 399 N 1.05 1.20 -0.53 0.35 1.35 -2.00 -1.30 112.91 113.03 3hso h THR 399 Ca 0.40 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.71 3hso h THR 399 Cb 0.17 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 66.91 3hso h THR 399 CO -0.17 0.22 0.09 -0.33 -0.25 0.00 0.00 175.52 175.07 3hso h GLU 400 N 0.89 0.84 -0.12 4.72 5.08 -1.51 -1.73 114.58 122.75 3hso h GLU 400 Ca 0.23 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hso h GLU 400 Cb 0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3hso h GLU 400 CO -0.04 0.79 0.03 1.25 -1.00 0.00 0.00 179.01 180.05 3hso h LEU 401 N 0.80 0.18 -0.17 1.33 5.85 -0.50 -0.19 115.31 122.62 3hso h LEU 401 Ca 0.17 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hso h LEU 401 Cb 0.36 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hso h LEU 401 CO 0.01 0.35 0.09 0.40 -0.34 0.00 0.00 178.44 178.94 3hso h ILE 402 N 0.00 1.12 -0.56 4.05 2.04 -1.14 -0.63 117.51 122.39 3hso h ILE 402 Ca 0.04 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3hso h ILE 402 Cb 0.23 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3hso h ILE 402 CO -0.00 0.11 0.32 0.22 0.00 0.00 0.00 178.15 178.80 3hso h TYR 403 N 0.16 0.60 -0.39 1.37 5.03 -1.30 -1.71 116.97 120.73 3hso h TYR 403 Ca 0.06 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.35 3hso h TYR 403 Cb 0.10 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3hso h TYR 403 CO -0.03 0.33 0.11 0.78 -1.32 0.00 0.00 178.16 178.02 3hso h GLY 404 N 0.64 0.66 1.02 1.82 0.00 -0.73 -1.02 103.07 105.45 3hso h GLY 404 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3hso h GLY 404 CO -0.12 0.38 0.09 0.00 0.00 0.00 0.00 176.54 176.89 3hso h ALA 405 N 0.95 0.75 -0.50 3.60 0.00 -1.01 -0.26 119.26 122.79 3hso h ALA 405 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hso h ALA 405 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hso h ALA 405 CO -0.00 0.50 0.18 0.87 0.00 0.00 0.00 179.25 180.79 3hso h LYS 406 N 0.83 0.72 0.00 0.00 1.57 -1.11 -2.86 116.57 115.71 3hso h LYS 406 Ca 0.17 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 3hso h LYS 406 Cb 0.42 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3hso h LYS 406 CO 0.01 0.61 -0.92 0.45 -0.57 0.00 0.00 179.45 179.04 3hso h HIS 407 N 0.71 0.02 -0.50 -1.35 3.86 -0.79 -1.12 115.15 115.99 3hso h HIS 407 Ca 0.17 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3hso h HIS 407 Cb 0.18 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3hso h HIS 407 CO 0.01 0.92 0.25 0.00 0.86 0.00 0.00 177.93 179.97 3hso h ALA 408 N 1.07 0.63 0.34 2.45 0.00 -0.87 0.88 119.26 123.75 3hso h ALA 408 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hso h ALA 408 Cb 1.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hso h ALA 408 CO 0.12 -0.10 -0.16 2.35 0.00 0.00 0.00 179.25 181.46 3hso h TRP 409 N 0.49 -0.42 -1.03 0.00 7.01 -1.45 -2.10 115.95 118.44 3hso h TRP 409 Ca 0.22 -0.01 0.31 0.00 2.11 0.00 0.00 58.89 61.52 3hso h TRP 409 Cb 0.13 0.14 -0.14 0.00 -2.10 0.00 0.00 29.16 27.19 3hso h TRP 409 CO -0.10 -0.22 0.61 -0.09 -2.79 0.00 0.00 178.44 175.84 3hso h ARG 410 N -0.51 0.36 -0.01 2.65 2.43 -0.91 0.24 114.38 118.62 3hso h ARG 410 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hso h ARG 410 Cb 0.38 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3hso h ARG 410 CO 0.08 0.24 -0.04 0.09 -1.51 0.00 0.00 179.97 178.83 3hso n ASN 411 N -4.94 1.27 -4.55 -3.80 3.02 0.28 -4.84 115.26 101.69 3hso n ASN 411 Ca 0.31 -1.34 -0.34 0.00 -0.03 0.00 0.00 54.58 53.17 3hso n ASN 411 Cb 0.96 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 40.10 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 -2.08 2.09 0.56 5.41 0.00 0.07 -4.72 121.76 123.09 3hso s ALA 412 Ca 0.37 -1.24 0.25 0.00 0.00 0.00 0.00 51.96 51.34 3hso s ALA 412 Cb 0.21 -4.42 1.50 0.00 0.00 0.00 0.00 23.12 20.41 3hso s ALA 412 CO 0.37 -4.16 2.07 0.77 0.00 0.00 0.00 175.76 174.81 3hso h SER 413 N 12.43 0.00 0.06 0.00 0.02 -1.88 -2.25 113.55 121.93 3hso h SER 413 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3hso h SER 413 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3hso h SER 413 CO 1.25 0.00 -0.09 0.54 -1.14 0.00 0.00 176.83 177.38 3hso n ARG 414 N -4.11 1.44 -3.61 3.45 1.74 -1.26 -1.19 116.66 113.12 3hso n ARG 414 Ca 0.03 -0.88 -0.37 0.00 -0.77 0.00 0.00 57.85 55.86 3hso n ARG 414 Cb 0.38 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 3hso n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hso n VAL 416 N 4.68 0.20 -0.38 0.00 3.14 -1.26 -3.95 118.33 120.76 3hso n VAL 416 Ca -0.14 -0.10 0.09 0.00 -2.96 0.00 0.00 64.34 61.23 3hso n VAL 416 Cb 0.52 -0.45 0.33 0.00 -1.06 0.00 0.00 33.84 33.18 3hso n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hso n GLY 417 N 1.43 2.44 0.00 7.55 0.00 -1.26 -4.41 105.19 110.95 3hso n GLY 417 Ca 0.06 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 1.08 0.28 0.20 1.61 1.74 -1.25 -2.31 116.66 118.00 3hso n ARG 418 Ca 0.24 0.10 0.15 0.00 -0.77 0.00 0.00 57.85 57.56 3hso n ARG 418 Cb 0.80 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 31.50 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 0.69 0.00 0.55 2.10 -1.89 -0.17 117.51 118.79 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 0.08 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 3hso h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3hso n GLN 420 N -4.14 0.75 -0.10 2.19 1.13 -0.98 -4.64 117.38 111.59 3hso n GLN 420 Ca 0.01 0.01 0.23 0.00 -1.94 0.00 0.00 57.00 55.30 3hso n GLN 420 Cb 0.27 -1.50 0.67 0.00 0.11 0.00 0.00 30.24 29.78 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 0.00 0.10 -0.00 1.08 5.08 -1.24 0.99 115.95 121.95 3hso h TRP 421 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hso h TRP 421 Cb 0.08 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 3hso h TRP 421 CO 0.00 0.03 -0.37 -1.13 -1.28 0.00 0.00 178.44 175.69 3hso n SER 422 N -4.36 0.57 -4.23 0.11 3.41 -1.26 -4.27 113.62 103.59 3hso n SER 422 Ca 0.14 -0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 3hso n SER 422 Cb 0.73 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.78 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 -2.85 3.61 -0.06 4.33 1.02 0.34 -4.97 119.74 121.16 3hso s LYS 423 Ca 0.16 -3.07 -0.01 0.00 0.02 0.00 0.00 55.97 53.06 3hso s LYS 423 Cb 0.18 -4.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.29 3hso s LYS 423 CO 0.63 -1.25 0.01 -1.17 -0.92 0.00 0.00 175.35 172.65 3hso s LEU 424 N -0.98 0.55 -0.13 3.17 2.96 -1.26 -4.62 118.68 118.36 3hso s LEU 424 Ca 0.26 -0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 53.84 3hso s LEU 424 Cb -0.10 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 3hso s LEU 424 CO -0.09 -0.20 0.94 -1.58 -1.32 0.00 0.00 176.35 174.10 3hso s GLN 425 N 1.93 4.37 -0.25 1.98 2.00 -0.88 -4.97 119.66 123.83 3hso s GLN 425 Ca 0.04 1.25 -0.05 0.00 -2.00 0.00 0.00 55.36 54.59 3hso s GLN 425 Cb -0.12 -3.56 -0.00 0.00 0.80 0.00 0.00 33.01 30.13 3hso s GLN 425 CO -0.04 -0.33 0.02 0.08 -0.50 0.00 0.00 175.29 174.52 3hso s VAL 426 N 2.10 3.69 -0.30 1.34 1.01 -1.26 -1.37 120.40 125.61 3hso s VAL 426 Ca 0.44 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3hso s VAL 426 Cb -0.17 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3hso s VAL 426 CO 0.15 0.27 0.16 -0.36 0.00 0.00 0.00 175.10 175.33 3hso s PHE 427 N 1.50 3.18 -0.63 5.22 0.08 0.26 -4.99 117.98 122.59 3hso s PHE 427 Ca 0.04 -0.37 -0.23 0.00 0.12 0.00 0.00 56.93 56.49 3hso s PHE 427 Cb -0.16 -2.36 0.06 0.00 -0.57 0.00 0.00 43.02 39.99 3hso s PHE 427 CO -0.00 -0.37 0.97 0.34 -0.10 0.00 0.00 175.22 176.06 3hso s ASP 428 N 1.66 6.22 -0.34 1.36 -1.08 -1.26 -1.06 116.67 122.17 3hso s ASP 428 Ca 0.06 -0.75 0.08 0.00 -0.52 0.00 0.00 52.55 51.42 3hso s ASP 428 Cb -0.17 -2.43 0.63 0.00 -1.46 0.00 0.00 42.92 39.49 3hso s ASP 428 CO 0.07 -1.39 1.70 0.00 0.52 0.00 0.00 175.17 176.07 3hso n ALA 429 N 7.73 4.66 0.50 3.66 0.00 0.10 -4.64 120.51 132.51 3hso n ALA 429 Ca -0.02 -2.75 0.06 0.00 0.00 0.00 0.00 53.44 50.73 3hso n ALA 429 Cb 0.46 -1.10 0.29 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.79 0.05 -0.05 0.00 1.74 -1.08 -2.06 116.66 114.47 3hso n ARG 430 Ca 0.43 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.87 3hso n ARG 430 Cb 1.33 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 31.69 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 -1.44 1.70 -4.77 0.55 5.68 -1.26 -4.55 116.55 112.46 3hso n ASP 431 Ca 0.04 -1.65 -0.37 0.00 -0.50 0.00 0.00 54.79 52.31 3hso n ASP 431 Cb 0.14 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.08 0.00 -4.29 0.00 -2.24 -1.26 -4.78 114.28 101.79 3hso n THR 433 Ca 0.04 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 3hso n THR 433 Cb 0.48 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.77 0.76 0.21 4.28 -4.23 -1.26 -4.62 115.64 110.00 3hso s THR 434 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 3hso s THR 434 Cb 0.00 -2.36 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 3hso s THR 434 CO 0.00 -0.28 1.48 0.00 -0.54 0.00 0.00 174.62 175.28 3hso h ALA 435 N 2.52 0.71 -0.54 3.99 0.00 -1.91 -1.05 119.26 122.98 3hso h ALA 435 Ca -0.38 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 3hso h ALA 435 Cb 1.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3hso h ALA 435 CO 0.63 0.88 0.32 0.45 0.00 0.00 0.00 179.25 181.53 3hso h HIS 436 N 0.07 0.72 -0.75 0.00 -0.00 -1.97 0.79 115.15 114.01 3hso h HIS 436 Ca -0.02 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.45 3hso h HIS 436 Cb 1.33 -0.24 -0.08 0.00 -0.00 0.00 0.00 27.41 28.43 3hso h HIS 436 CO 0.01 0.50 0.36 0.78 -0.00 0.00 0.00 177.93 179.59 3hso h GLY 437 N 0.73 1.14 0.91 2.45 0.00 -1.79 -1.29 103.07 105.22 3hso h GLY 437 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3hso h GLY 437 CO -0.04 0.02 0.11 -0.33 0.00 0.00 0.00 176.54 176.31 3hso h MET 438 N 0.59 0.47 -0.40 4.80 0.00 -0.72 -1.14 114.93 118.53 3hso h MET 438 Ca 0.38 -0.09 0.08 0.00 0.00 0.00 0.00 59.70 60.07 3hso h MET 438 Cb 0.45 -0.07 -0.07 0.00 0.00 0.00 0.00 31.60 31.91 3hso h MET 438 CO -0.30 0.50 -0.05 0.35 0.00 0.00 0.00 176.91 177.40 3hso h PHE 439 N 0.34 -0.12 0.16 -0.22 3.57 -0.54 0.44 116.94 120.57 3hso h PHE 439 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3hso h PHE 439 Cb 0.21 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3hso h PHE 439 CO 0.00 -0.13 -0.15 -0.97 -2.23 0.00 0.00 178.31 174.83 3hso h ASN 440 N 0.05 -0.40 -0.68 0.41 -1.24 -0.61 -0.31 115.58 112.79 3hso h ASN 440 Ca 0.20 0.04 0.15 0.00 0.71 0.00 0.00 56.30 57.39 3hso h ASN 440 Cb 0.29 0.14 -0.11 0.00 0.73 0.00 0.00 38.32 39.37 3hso h ASN 440 CO -0.37 -0.23 0.07 1.88 -1.29 0.00 0.00 177.43 177.48 3hso h TYR 441 N -0.34 0.07 -0.29 0.67 0.05 -1.06 -1.73 116.97 114.35 3hso h TYR 441 Ca 0.00 0.05 -0.15 0.00 0.05 0.00 0.00 58.73 58.67 3hso h TYR 441 Cb 0.32 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3hso h TYR 441 CO -0.13 -0.15 -0.44 0.82 -1.05 0.00 0.00 178.16 177.21 3hso h ILE 442 N 0.17 1.29 -0.67 -2.88 2.04 -0.34 -1.35 117.51 115.76 3hso h ILE 442 Ca 0.37 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3hso h ILE 442 Cb 0.63 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3hso h ILE 442 CO -0.55 0.53 0.41 0.00 0.00 0.00 0.00 178.15 178.54 3hso h ASN 444 N 0.91 0.81 0.40 0.00 2.35 -1.00 -1.18 115.58 117.88 3hso h ASN 444 Ca 0.24 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3hso h ASN 444 Cb -0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3hso h ASN 444 CO -0.05 0.74 -0.34 -0.74 -1.65 0.00 0.00 177.43 175.40 3hso h HIS 445 N 0.83 -0.90 -0.58 1.19 -0.00 -1.01 0.76 115.15 115.44 3hso h HIS 445 Ca 0.20 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.67 3hso h HIS 445 Cb 0.17 0.34 -0.08 0.00 -0.00 0.00 0.00 27.41 27.84 3hso h HIS 445 CO 0.01 -0.49 0.16 0.28 -0.00 0.00 0.00 177.93 177.89 3hso h VAL 446 N -0.74 0.71 -0.34 5.26 2.07 -0.89 0.17 116.25 122.49 3hso h VAL 446 Ca -0.03 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 3hso h VAL 446 Cb 0.65 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3hso h VAL 446 CO -0.02 0.06 -0.37 0.50 0.02 0.00 0.00 177.57 177.75 3hso h LYS 447 N 0.31 0.85 -0.22 1.57 3.64 -1.11 -1.17 116.57 120.44 3hso h LYS 447 Ca 0.30 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3hso h LYS 447 Cb 0.41 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3hso h LYS 447 CO -0.35 1.10 0.11 -0.92 -2.27 0.00 0.00 179.45 177.12 3hso h TYR 448 N 0.63 0.31 -0.10 1.91 3.20 -0.34 -2.43 116.97 120.16 3hso h TYR 448 Ca 0.05 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.68 3hso h TYR 448 Cb 0.96 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.14 3hso h TYR 448 CO 0.07 0.31 -0.85 0.00 -1.64 0.00 0.00 178.16 176.04 3hso h ALA 449 N 0.97 0.31 -0.10 1.82 0.00 -0.66 -3.26 119.26 118.34 3hso h ALA 449 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3hso h ALA 449 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hso h ALA 449 CO -0.01 0.70 0.04 1.15 0.00 0.00 0.00 179.25 181.14 3hso h THR 450 N 0.45 1.15 -6.46 0.00 2.02 -1.25 0.41 112.91 109.23 3hso h THR 450 Ca -0.07 -0.44 -0.50 0.00 0.77 0.00 0.00 66.41 66.17 3hso h THR 450 Cb 1.48 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 69.08 3hso h THR 450 CO 0.17 0.13 -0.86 -3.20 0.37 0.00 0.00 175.52 172.13 3hso n ASN 451 N -4.92 -1.43 -1.91 4.18 5.15 -0.92 -0.54 115.26 114.88 3hso n ASN 451 Ca -0.06 -0.96 -0.20 0.00 -0.60 0.00 0.00 54.58 52.77 3hso n ASN 451 Cb 0.12 -3.23 -0.05 0.00 -0.53 0.00 0.00 39.78 36.08 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 -4.41 -1.57 0.00 1.20 5.02 -1.26 -2.00 118.16 115.14 3hso n LYS 452 Ca -0.21 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 3hso n LYS 452 Cb 0.63 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 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 -0.62 2.88 3.46 0.72 0.00 0.29 -4.92 105.19 107.00 3hso n GLY 453 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 3hso n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hso s ASN 454 N -1.42 6.93 0.44 1.61 2.47 -0.85 -0.89 114.94 123.23 3hso s ASN 454 Ca 0.00 -2.69 -0.24 0.00 0.42 0.00 0.00 52.86 50.35 3hso s ASN 454 Cb 0.00 -2.40 -0.08 0.00 -1.45 0.00 0.00 41.25 37.33 3hso s ASN 454 CO 0.00 -0.84 1.17 -0.76 -3.72 0.00 0.00 177.10 172.95 3hso s LEU 455 N 1.88 4.08 -0.03 3.21 1.43 -1.24 -4.46 118.68 123.55 3hso s LEU 455 Ca 0.39 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.85 3hso s LEU 455 Cb -0.04 -4.16 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 3hso s LEU 455 CO -0.03 -0.83 -0.14 -0.13 0.23 0.00 0.00 176.35 175.45 3hso s ARG 456 N -2.55 1.43 0.31 1.70 0.52 0.13 -5.00 118.95 115.50 3hso s ARG 456 Ca 0.61 -0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 55.03 3hso s ARG 456 Cb -0.29 -1.29 -0.10 0.00 0.52 0.00 0.00 34.95 33.79 3hso s ARG 456 CO 0.36 0.21 1.35 -1.54 0.02 0.00 0.00 175.30 175.70 3hso s SER 457 N 0.05 6.71 0.06 0.23 1.04 -1.26 -4.46 113.70 116.06 3hso s SER 457 Ca -0.02 2.71 -0.18 0.00 0.48 0.00 0.00 55.95 58.93 3hso s SER 457 Cb -0.10 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.42 3hso s SER 457 CO 0.01 -0.60 0.43 0.00 0.98 0.00 0.00 173.24 174.06 3hso s ALA 458 N -0.83 -1.04 0.02 5.32 0.00 -0.58 -2.07 121.76 122.58 3hso s ALA 458 Ca 0.52 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3hso s ALA 458 Cb -0.41 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hso s ALA 458 CO 0.51 -0.51 -0.07 -1.50 0.00 0.00 0.00 175.76 174.20 3hso s ILE 459 N -2.76 0.48 -0.12 0.00 2.07 -0.47 -0.96 121.20 119.44 3hso s ILE 459 Ca -0.03 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.61 3hso s ILE 459 Cb -0.00 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.12 3hso s ILE 459 CO -0.04 -0.11 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.79 3hso s THR 460 N -0.70 1.82 -0.31 4.00 2.01 -0.76 -0.58 115.64 121.13 3hso s THR 460 Ca -0.03 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 3hso s THR 460 Cb -0.06 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 70.89 3hso s THR 460 CO 0.00 0.51 0.02 -0.63 -0.69 0.00 0.00 174.62 173.83 3hso s ILE 461 N 0.78 3.03 0.79 1.82 1.01 -0.22 -3.01 121.20 125.40 3hso s ILE 461 Ca -0.09 -1.45 -0.09 0.00 0.00 0.00 0.00 60.65 59.01 3hso s ILE 461 Cb -0.16 -2.79 0.10 0.00 0.01 0.00 0.00 42.46 39.63 3hso s ILE 461 CO 0.00 -0.17 1.12 -0.36 0.00 0.00 0.00 174.94 175.53 3hso s PHE 462 N 1.24 2.54 0.52 3.97 0.08 -0.61 -0.72 117.98 125.00 3hso s PHE 462 Ca -0.04 0.43 -0.21 0.00 0.12 0.00 0.00 56.93 57.24 3hso s PHE 462 Cb -0.20 -3.44 -0.07 0.00 -0.57 0.00 0.00 43.02 38.74 3hso s PHE 462 CO -0.01 -1.78 1.06 -2.30 -0.10 0.00 0.00 175.22 172.08 3hso n PRO 463 N -3.19 1.24 -1.33 0.24 -0.02 -1.25 -4.68 135.00 126.01 3hso n PRO 463 Ca 0.10 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3hso n PRO 463 Cb 0.60 -2.21 0.10 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.50 1.91 0.43 -0.52 -2.07 -1.26 -4.59 119.66 111.07 3hso s GLN 464 Ca 0.70 0.91 -0.25 0.00 -1.82 0.00 0.00 55.36 54.90 3hso s GLN 464 Cb -0.46 -1.88 -0.08 0.00 -1.09 0.00 0.00 33.01 29.50 3hso s GLN 464 CO 0.51 -1.81 1.31 0.50 -1.32 0.00 0.00 175.29 174.48 3hso s ARG 465 N -4.98 3.81 0.00 9.60 3.52 0.67 -4.90 118.95 126.68 3hso s ARG 465 Ca 0.62 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 3hso s ARG 465 Cb -0.17 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3hso s ARG 465 CO 0.56 -0.62 0.00 0.25 -0.81 0.00 0.00 175.30 174.68 3hso n THR 466 N -0.11 0.00 0.93 4.11 -2.24 -1.26 -4.78 114.28 110.92 3hso n THR 466 Ca 0.05 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3hso n THR 466 Cb 0.44 -0.41 0.05 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.70 2.42 0.00 3.42 5.68 -1.26 -4.90 116.55 121.22 3hso n ASP 467 Ca 0.00 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3hso n ASP 467 Cb 0.00 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3hso n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hso n GLY 468 N 1.30 0.88 0.90 6.12 0.00 -1.26 -4.79 105.19 108.34 3hso n GLY 468 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.08 2.17 -2.46 1.61 5.02 -1.26 -4.51 118.16 116.65 3hso n LYS 469 Ca 0.00 -2.00 -0.06 0.00 -2.02 0.00 0.00 58.31 54.23 3hso n LYS 469 Cb 0.00 -1.40 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.10 1.52 -2.19 2.13 8.25 -1.26 -4.30 115.22 120.46 3hso n HIS 470 Ca 0.15 -2.02 -0.41 0.00 -0.26 0.00 0.00 57.72 55.18 3hso n HIS 470 Cb 0.50 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 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 -3.61 6.87 0.10 0.41 1.11 -1.26 -3.22 116.67 117.07 3hso s ASP 471 Ca 0.34 2.51 -0.25 0.00 0.18 0.00 0.00 52.55 55.33 3hso s ASP 471 Cb 0.35 -2.63 -0.06 0.00 1.07 0.00 0.00 42.92 41.65 3hso s ASP 471 CO -0.03 -0.50 0.78 -0.36 1.18 0.00 0.00 175.17 176.24 3hso s PHE 472 N -0.50 3.81 -0.04 4.23 0.40 -1.26 -1.48 117.98 123.15 3hso s PHE 472 Ca 0.53 1.56 -0.09 0.00 -0.60 0.00 0.00 56.93 58.32 3hso s PHE 472 Cb -0.38 -2.81 0.02 0.00 0.51 0.00 0.00 43.02 40.36 3hso s PHE 472 CO 0.44 0.37 0.22 1.03 0.70 0.00 0.00 175.22 177.98 3hso s ARG 473 N -0.49 0.44 -0.34 0.44 1.81 0.18 -3.45 118.95 117.55 3hso s ARG 473 Ca 0.38 -0.04 -0.12 0.00 -1.72 0.00 0.00 55.73 54.23 3hso s ARG 473 Cb -0.22 0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.47 3hso s ARG 473 CO 0.25 -0.10 0.22 0.08 -0.68 0.00 0.00 175.30 175.07 3hso s VAL 474 N -0.73 5.08 0.39 3.52 1.01 -1.26 -0.80 120.40 127.61 3hso s VAL 474 Ca -0.08 -0.31 0.14 0.00 0.00 0.00 0.00 61.98 61.72 3hso s VAL 474 Cb -0.05 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.83 3hso s VAL 474 CO 0.02 -0.01 1.87 -0.50 0.00 0.00 0.00 175.10 176.48 3hso h TRP 475 N 8.46 0.00 -4.06 5.22 4.06 -1.49 -3.43 115.95 124.71 3hso h TRP 475 Ca -0.31 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.09 3hso h TRP 475 Cb 1.15 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.44 3hso h TRP 475 CO 0.65 0.32 0.57 -0.80 -3.56 0.00 0.00 178.44 175.61 3hso s ASN 476 N -6.92 5.21 0.09 -3.49 -0.87 -1.26 -4.92 114.94 102.77 3hso s ASN 476 Ca -0.03 2.66 0.04 0.00 -1.57 0.00 0.00 52.86 53.96 3hso s ASN 476 Cb 0.15 -2.63 -0.24 0.00 -0.02 0.00 0.00 41.25 38.51 3hso s ASN 476 CO 0.71 -1.60 1.16 0.77 -2.57 0.00 0.00 177.10 175.57 3hso h SER 477 N 1.27 0.14 -4.41 -1.22 4.64 -1.90 -3.34 113.55 108.74 3hso h SER 477 Ca -0.51 -0.17 -0.29 0.00 -0.47 0.00 0.00 61.79 60.36 3hso h SER 477 Cb 1.30 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.18 3hso h SER 477 CO 0.56 1.13 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.84 3hso s GLN 478 N -2.68 0.85 0.26 4.77 -0.21 -1.26 -1.45 119.66 119.94 3hso s GLN 478 Ca -0.02 -1.23 -0.05 0.00 0.02 0.00 0.00 55.36 54.08 3hso s GLN 478 Cb 0.09 -0.42 0.30 0.00 1.00 0.00 0.00 33.01 33.97 3hso s GLN 478 CO 0.84 0.05 1.88 -0.07 -2.12 0.00 0.00 175.29 175.86 3hso h LEU 479 N 3.31 1.04 -8.02 2.90 3.38 -1.47 -3.38 115.31 113.06 3hso h LEU 479 Ca -0.36 -0.09 -0.65 0.00 0.09 0.00 0.00 57.88 56.86 3hso h LEU 479 Cb 1.18 -0.26 -0.35 0.00 0.09 0.00 0.00 40.66 41.32 3hso h LEU 479 CO 0.58 0.84 -0.85 -0.63 0.09 0.00 0.00 178.44 178.46 3hso s ILE 480 N -5.76 1.95 0.20 1.22 1.01 -1.26 -4.91 121.20 113.65 3hso s ILE 480 Ca -0.12 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.50 3hso s ILE 480 Cb 0.17 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3hso s ILE 480 CO 0.82 0.51 0.45 -0.13 0.00 0.00 0.00 174.94 176.58 3hso s ARG 481 N 1.33 1.36 0.02 2.79 0.52 -1.26 -4.79 118.95 118.92 3hso s ARG 481 Ca 0.05 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 3hso s ARG 481 Cb -0.13 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 3hso s ARG 481 CO -0.12 -0.56 0.17 0.71 0.02 0.00 0.00 175.30 175.52 3hso s TYR 482 N -3.93 3.48 0.65 -0.53 2.02 -1.26 -0.78 117.35 117.00 3hso s TYR 482 Ca 0.14 0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.98 3hso s TYR 482 Cb 0.00 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3hso s TYR 482 CO 0.01 0.61 1.09 0.00 -1.57 0.00 0.00 175.55 175.69 3hso s ALA 483 N -1.37 2.55 -0.01 3.71 0.00 -0.02 -4.48 121.76 122.14 3hso s ALA 483 Ca 0.29 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.75 3hso s ALA 483 Cb -0.13 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3hso s ALA 483 CO 0.21 -1.16 -0.14 0.20 0.00 0.00 0.00 175.76 174.86 3hso s GLY 484 N -2.77 0.71 -0.11 0.00 0.00 -1.23 -1.01 107.32 102.90 3hso s GLY 484 Ca 0.65 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 3hso s GLY 484 CO 0.42 -0.50 -0.03 -0.19 0.00 0.00 0.00 173.10 172.80 3hso s TYR 485 N -0.31 1.11 0.03 1.90 2.02 0.32 -4.21 117.35 118.21 3hso s TYR 485 Ca 0.05 -0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 3hso s TYR 485 Cb -0.06 -1.04 -0.07 0.00 -0.40 0.00 0.00 41.96 40.40 3hso s TYR 485 CO -0.00 -0.46 1.54 0.15 -1.57 0.00 0.00 175.55 175.20 3hso s LYS 486 N 1.83 4.23 0.27 -0.62 1.02 -1.26 -0.88 119.74 124.33 3hso s LYS 486 Ca 0.04 2.15 0.07 0.00 0.02 0.00 0.00 55.97 58.25 3hso s LYS 486 Cb -0.13 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 3hso s LYS 486 CO -0.07 -0.67 0.27 -0.65 -0.92 0.00 0.00 175.35 173.31 3hso s GLN 487 N 2.65 3.00 0.42 1.68 -0.21 -0.34 -4.96 119.66 121.88 3hso s GLN 487 Ca 0.69 -1.04 0.17 0.00 0.02 0.00 0.00 55.36 55.20 3hso s GLN 487 Cb -0.35 -2.63 0.92 0.00 1.00 0.00 0.00 33.01 31.95 3hso s GLN 487 CO 0.29 0.32 1.89 -1.35 -2.12 0.00 0.00 175.29 174.32 3hso h PRO 488 N 1.33 0.00 0.00 2.91 0.11 -1.96 -0.23 132.00 134.17 3hso h PRO 488 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hso h PRO 488 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hso h PRO 488 CO 0.60 0.29 0.41 0.22 -0.21 0.00 0.00 178.00 179.30 3hso h ASP 489 N 0.00 0.00 0.00 -2.05 3.58 -2.02 -3.44 116.42 112.49 3hso h ASP 489 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3hso h ASP 489 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3hso h ASP 489 CO 0.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 3hso n GLY 490 N -1.27 3.18 3.95 -0.78 0.00 -0.10 -5.02 105.19 105.15 3hso n GLY 490 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.11 3.31 -0.08 1.61 1.04 -1.26 -4.76 113.70 112.45 3hso s SER 491 Ca 0.00 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.52 3hso s SER 491 Cb 0.00 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 3hso s SER 491 CO 0.00 -2.59 -0.21 -0.89 0.98 0.00 0.00 173.24 170.54 3hso s THR 492 N -3.73 2.43 -0.18 2.02 2.01 -1.26 -1.20 115.64 115.73 3hso s THR 492 Ca 0.73 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 3hso s THR 492 Cb -0.03 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3hso s THR 492 CO 0.51 0.56 0.09 -0.22 -0.69 0.00 0.00 174.62 174.87 3hso s LEU 493 N -0.05 4.00 0.00 4.42 2.96 -0.06 -4.95 118.68 124.99 3hso s LEU 493 Ca -0.05 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3hso s LEU 493 Cb -0.14 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3hso s LEU 493 CO 0.05 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.89 3hso n GLY 494 N 3.34 0.51 3.50 7.98 0.00 -1.26 -0.52 105.19 118.75 3hso n GLY 494 Ca -0.17 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 6.19 0.40 1.61 -1.08 -0.18 -4.76 116.67 114.85 3hso s ASP 495 Ca 0.00 -0.53 0.29 0.00 -0.52 0.00 0.00 52.55 51.79 3hso s ASP 495 Cb 0.00 -2.21 1.29 0.00 -1.46 0.00 0.00 42.92 40.54 3hso s ASP 495 CO 0.00 -0.49 1.86 -0.65 0.52 0.00 0.00 175.17 176.40 3hso h PRO 496 N 8.63 0.00 0.00 4.34 0.11 -1.79 -2.09 132.00 141.20 3hso h PRO 496 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hso h PRO 496 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hso h PRO 496 CO 0.76 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 3hso h ALA 497 N 2.12 1.00 -0.19 -0.75 0.00 -1.93 -3.14 119.26 116.37 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hso h ALA 497 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3hso n ASN 498 N -3.04 2.81 0.20 0.00 3.02 -0.79 -4.72 115.26 112.75 3hso n ASN 498 Ca -0.02 -2.36 -0.17 0.00 -0.03 0.00 0.00 54.58 52.00 3hso n ASN 498 Cb 0.11 -0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.19 0.04 -0.42 2.41 2.07 -1.66 -0.40 116.25 119.48 3hso h VAL 499 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3hso h VAL 499 Cb 0.86 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3hso h VAL 499 CO 0.05 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 176.97 3hso h GLN 500 N -0.85 0.04 -0.68 1.57 4.15 -1.87 -1.54 115.11 115.93 3hso h GLN 500 Ca -0.03 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 3hso h GLN 500 Cb 0.80 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 3hso h GLN 500 CO -0.18 0.03 0.26 0.35 -1.93 0.00 0.00 178.83 177.36 3hso h PHE 501 N 0.04 1.04 -0.99 3.99 3.57 -1.84 -1.41 116.94 121.35 3hso h PHE 501 Ca 0.20 -0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.72 3hso h PHE 501 Cb 0.31 -0.31 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 3hso h PHE 501 CO -0.33 0.82 0.63 1.15 -2.23 0.00 0.00 178.31 178.35 3hso h THR 502 N 0.97 0.97 -0.74 4.41 2.02 -0.29 -0.94 112.91 119.31 3hso h THR 502 Ca 0.23 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 3hso h THR 502 Cb 0.22 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 3hso h THR 502 CO -0.02 0.19 0.23 -0.08 0.37 0.00 0.00 175.52 176.21 3hso h GLU 503 N 1.02 1.15 -0.39 6.66 4.81 -0.33 -1.29 114.58 126.21 3hso h GLU 503 Ca 0.47 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3hso h GLU 503 Cb 0.39 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3hso h GLU 503 CO -0.22 0.98 -0.16 0.82 -0.73 0.00 0.00 179.01 179.69 3hso h ILE 504 N 1.10 1.28 -0.14 2.32 2.04 -0.43 -1.27 117.51 122.41 3hso h ILE 504 Ca 0.24 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.85 3hso h ILE 504 Cb 0.31 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3hso h ILE 504 CO -0.01 0.43 -0.10 0.00 0.00 0.00 0.00 178.15 178.47 3hso h ILE 506 N -0.10 0.95 -0.62 0.00 2.04 -0.96 0.87 117.51 119.70 3hso h ILE 506 Ca 0.08 -0.10 0.18 0.00 1.00 0.00 0.00 64.86 66.03 3hso h ILE 506 Cb 0.23 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3hso h ILE 506 CO -0.20 0.05 0.45 1.56 0.00 0.00 0.00 178.15 180.02 3hso h GLN 507 N 0.28 0.00 -0.01 2.37 4.20 -1.04 -1.13 115.11 119.78 3hso h GLN 507 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hso h GLN 507 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3hso h GLN 507 CO -0.11 0.00 -0.41 0.94 -0.67 0.00 0.00 178.83 178.58 3hso n GLN 508 N -4.31 0.55 0.00 1.46 -0.06 0.20 -4.93 117.38 110.28 3hso n GLN 508 Ca 0.12 -0.35 0.00 0.00 -2.00 0.00 0.00 57.00 54.77 3hso n GLN 508 Cb 0.70 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.39 3hso n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hso n GLY 509 N 1.41 1.21 3.77 1.69 0.00 -0.43 -4.96 105.19 107.88 3hso n GLY 509 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 2.97 -3.31 1.61 -0.00 -0.78 -4.94 117.44 112.98 3hso n TRP 510 Ca 0.00 0.41 -0.46 0.00 -0.00 0.00 0.00 57.50 57.45 3hso n TRP 510 Cb 0.00 -2.54 -0.05 0.00 -0.00 0.00 0.00 31.31 28.72 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 -1.84 2.99 0.02 5.87 -0.14 -1.26 -4.54 119.74 120.84 3hso s LYS 511 Ca 0.55 -1.72 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 3hso s LYS 511 Cb -0.48 -4.29 -0.05 0.00 -1.68 0.00 0.00 37.83 31.33 3hso s LYS 511 CO 0.61 -1.33 1.21 0.00 -0.76 0.00 0.00 175.35 175.09 3hso s ALA 512 N 1.58 3.43 0.47 5.17 0.00 -1.26 -4.93 121.76 126.23 3hso s ALA 512 Ca 0.03 0.79 0.35 0.00 0.00 0.00 0.00 51.96 53.12 3hso s ALA 512 Cb -0.30 -3.47 1.83 0.00 0.00 0.00 0.00 23.12 21.17 3hso s ALA 512 CO 0.03 -0.56 2.19 -1.35 0.00 0.00 0.00 175.76 176.07 3hso h PRO 513 N 7.06 0.00 -5.86 0.00 0.11 -1.99 -3.47 132.00 127.84 3hso h PRO 513 Ca -0.39 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.34 3hso h PRO 513 Cb 1.20 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.42 3hso h PRO 513 CO 0.84 0.04 -0.79 0.54 -0.21 0.00 0.00 178.00 178.41 3hso n ARG 514 N -3.39 -5.88 -1.39 1.05 1.74 -1.26 -5.04 116.66 102.48 3hso n ARG 514 Ca -0.02 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 3hso n ARG 514 Cb 0.17 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.06 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 -1.37 3.17 0.11 -0.13 0.00 -1.26 -5.07 105.19 100.65 3hso n GLY 515 Ca -0.28 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.65 3hso n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hso h ARG 516 N 0.00 0.00 -0.90 1.61 2.43 -1.92 -3.39 114.38 112.21 3hso h ARG 516 Ca 0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 3hso h ARG 516 Cb 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 29.19 3hso h ARG 516 CO 0.00 0.13 -1.06 1.19 -1.51 0.00 0.00 179.97 178.72 3hso n PHE 517 N -2.81 0.48 -2.73 2.20 3.72 -1.26 -4.16 117.46 112.90 3hso n PHE 517 Ca -0.03 -2.72 -0.43 0.00 -0.05 0.00 0.00 57.45 54.22 3hso n PHE 517 Cb 0.67 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 -2.76 6.77 0.06 4.37 1.01 -1.26 -4.91 116.67 119.95 3hso s ASP 518 Ca 0.27 0.76 -0.32 0.00 0.71 0.00 0.00 52.55 53.98 3hso s ASP 518 Cb 0.44 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.77 3hso s ASP 518 CO 0.01 -0.88 1.88 0.52 0.21 0.00 0.00 175.17 176.90 3hso n VAL 519 N 5.98 0.52 -1.68 -1.27 0.31 -1.26 -0.84 118.33 120.09 3hso n VAL 519 Ca 0.09 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 3hso n VAL 519 Cb 0.48 -2.11 0.05 0.00 -0.91 0.00 0.00 33.84 31.35 3hso n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hso s LEU 520 N 3.46 3.31 0.67 7.52 1.43 0.04 -4.89 118.68 130.22 3hso s LEU 520 Ca 0.86 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.78 3hso s LEU 520 Cb -0.52 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.16 3hso s LEU 520 CO 0.42 -1.65 1.05 -2.16 0.23 0.00 0.00 176.35 174.24 3hso s PRO 521 N -4.31 3.07 0.08 1.29 0.04 -1.26 -4.76 135.00 129.15 3hso s PRO 521 Ca 0.65 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.97 3hso s PRO 521 Cb -0.19 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3hso s PRO 521 CO 0.45 -0.86 0.61 -0.51 0.04 0.00 0.00 177.00 176.73 3hso s LEU 522 N -5.26 4.52 -0.28 -3.56 1.43 0.20 -4.89 118.68 110.84 3hso s LEU 522 Ca 0.57 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 3hso s LEU 522 Cb -0.11 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.21 3hso s LEU 522 CO 0.51 0.23 -0.01 -0.22 0.23 0.00 0.00 176.35 177.09 3hso s LEU 523 N -0.96 3.42 -0.09 1.79 2.96 -1.26 -1.27 118.68 123.29 3hso s LEU 523 Ca 0.31 -1.60 0.03 0.00 -0.22 0.00 0.00 54.13 52.65 3hso s LEU 523 Cb -0.20 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3hso s LEU 523 CO 0.20 -0.29 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.99 3hso s LEU 524 N 1.20 2.45 -0.24 -0.68 1.43 -0.34 -1.20 118.68 121.29 3hso s LEU 524 Ca 0.01 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3hso s LEU 524 Cb -0.19 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.57 3hso s LEU 524 CO -0.09 0.23 -0.11 -1.58 0.23 0.00 0.00 176.35 175.02 3hso s GLN 525 N -0.03 2.58 -0.12 1.70 0.74 0.02 -0.85 119.66 123.70 3hso s GLN 525 Ca -0.05 -1.13 -0.04 0.00 0.05 0.00 0.00 55.36 54.19 3hso s GLN 525 Cb -0.14 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 3hso s GLN 525 CO 0.05 -0.45 0.03 0.00 -0.55 0.00 0.00 175.29 174.37 3hso s ALA 526 N 1.21 3.37 -1.46 1.58 0.00 -1.26 -0.64 121.76 124.56 3hso s ALA 526 Ca -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3hso s ALA 526 Cb -0.17 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.29 3hso s ALA 526 CO -0.07 0.45 0.33 -1.71 0.00 0.00 0.00 175.76 174.77 3hso n ASN 527 N 2.61 -5.19 0.00 0.00 5.15 -1.24 -0.21 115.26 116.39 3hso n ASN 527 Ca -0.18 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 3hso n ASN 527 Cb 0.53 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.51 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 -1.20 0.61 3.78 8.20 0.00 -0.55 -4.42 105.19 111.61 3hso n GLY 528 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.40 2.56 0.50 1.61 0.01 0.71 -4.86 114.94 113.08 3hso s ASN 529 Ca 0.00 0.58 -0.22 0.00 -0.71 0.00 0.00 52.86 52.51 3hso s ASN 529 Cb 0.00 -0.85 -0.06 0.00 0.41 0.00 0.00 41.25 40.75 3hso s ASN 529 CO 0.00 -3.10 1.24 -1.81 -1.51 0.00 0.00 177.10 171.91 3hso s ASP 530 N -4.33 5.79 0.52 -1.22 1.01 -1.26 -4.53 116.67 112.65 3hso s ASP 530 Ca 0.70 2.47 -0.19 0.00 0.71 0.00 0.00 52.55 56.24 3hso s ASP 530 Cb -0.09 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.16 3hso s ASP 530 CO 0.54 -1.19 1.04 -2.16 0.21 0.00 0.00 175.17 173.61 3hso s PRO 531 N -2.81 3.67 0.18 8.23 0.04 -1.26 -4.71 135.00 138.34 3hso s PRO 531 Ca 0.67 1.29 0.11 0.00 0.04 0.00 0.00 61.00 63.11 3hso s PRO 531 Cb -0.33 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3hso s PRO 531 CO 0.39 -0.53 -0.23 -1.21 0.04 0.00 0.00 177.00 175.46 3hso s GLU 532 N -3.53 1.45 0.12 4.56 2.02 -0.03 -4.83 118.70 118.46 3hso s GLU 532 Ca 0.66 -1.47 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 3hso s GLU 532 Cb -0.16 -1.75 -0.07 0.00 0.10 0.00 0.00 34.13 32.25 3hso s GLU 532 CO 0.25 0.38 0.50 -0.51 0.02 0.00 0.00 175.26 175.91 3hso s LEU 533 N -2.57 4.35 -0.09 1.80 1.43 -1.26 -1.20 118.68 121.15 3hso s LEU 533 Ca 0.19 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 3hso s LEU 533 Cb -0.08 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 43.03 3hso s LEU 533 CO 0.09 0.14 0.32 -0.36 0.23 0.00 0.00 176.35 176.77 3hso s PHE 534 N -1.41 -0.30 -0.25 0.29 0.08 -0.39 -4.97 117.98 111.02 3hso s PHE 534 Ca 0.35 0.68 -0.12 0.00 0.12 0.00 0.00 56.93 57.97 3hso s PHE 534 Cb -0.15 0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 3hso s PHE 534 CO 0.19 -0.24 0.21 -1.14 -0.10 0.00 0.00 175.22 174.13 3hso s GLN 535 N -0.32 4.04 0.23 0.44 0.74 -1.26 0.59 119.66 124.11 3hso s GLN 535 Ca -0.04 -0.21 -0.31 0.00 0.05 0.00 0.00 55.36 54.85 3hso s GLN 535 Cb -0.03 -3.59 -0.11 0.00 1.10 0.00 0.00 33.01 30.38 3hso s GLN 535 CO 0.02 -0.05 1.63 0.42 -0.55 0.00 0.00 175.29 176.75 3hso s ILE 536 N 1.39 2.23 -0.21 -2.34 1.01 -1.26 -4.84 121.20 117.17 3hso s ILE 536 Ca 0.09 0.17 -0.37 0.00 0.00 0.00 0.00 60.65 60.55 3hso s ILE 536 Cb -0.15 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 3hso s ILE 536 CO 0.07 0.02 1.88 -2.65 0.00 0.00 0.00 174.94 174.26 3hso n PRO 537 N 3.31 1.58 -0.38 2.79 -0.02 -1.26 -4.77 135.00 136.26 3hso n PRO 537 Ca 0.12 0.56 0.32 0.00 -2.02 0.00 0.00 63.50 62.49 3hso n PRO 537 Cb 0.37 -2.40 0.59 0.00 -0.02 0.00 0.00 33.50 32.04 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 8.98 0.10 0.00 0.52 0.11 -1.95 1.10 132.00 140.86 3hso h PRO 538 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hso h PRO 538 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hso h PRO 538 CO 0.97 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.97 3hso n GLU 539 N -4.99 0.07 0.07 1.05 0.00 -1.26 -1.77 120.64 113.81 3hso n GLU 539 Ca 0.37 0.28 0.12 0.00 0.00 0.00 0.00 57.16 57.92 3hso n GLU 539 Cb 1.29 -1.62 0.06 0.00 0.00 0.00 0.00 31.44 31.17 3hso n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hso n LEU 540 N -1.75 0.71 -4.40 -1.84 4.77 0.38 -4.75 117.00 110.11 3hso n LEU 540 Ca 0.03 0.20 -0.45 0.00 -0.03 0.00 0.00 56.01 55.76 3hso n LEU 540 Cb 0.21 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3hso n LEU 540 CO 0.17 -0.08 0.67 -0.69 -1.33 0.00 0.00 177.39 176.13 3hso s VAL 541 N -3.26 4.92 -0.15 4.08 1.01 -0.73 -4.80 120.40 121.48 3hso s VAL 541 Ca 0.03 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.20 3hso s VAL 541 Cb 0.12 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3hso s VAL 541 CO 0.77 -1.28 1.48 -0.22 0.00 0.00 0.00 175.10 175.86 3hso s LEU 542 N 2.22 4.15 0.21 3.92 2.96 -1.26 -5.00 118.68 125.87 3hso s LEU 542 Ca 0.22 1.84 0.10 0.00 -0.22 0.00 0.00 54.13 56.07 3hso s LEU 542 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3hso s LEU 542 CO -0.03 -0.95 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.28 3hso s GLU 543 N 4.00 1.81 -0.14 1.98 2.02 -1.26 -1.05 118.70 126.06 3hso s GLU 543 Ca 0.65 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3hso s GLU 543 Cb -0.26 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.01 3hso s GLU 543 CO 0.24 0.40 -0.14 0.08 0.02 0.00 0.00 175.26 175.85 3hso s VAL 544 N -1.88 1.54 0.29 2.63 1.01 0.77 -4.90 120.40 119.85 3hso s VAL 544 Ca 0.25 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3hso s VAL 544 Cb -0.08 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 3hso s VAL 544 CO 0.14 0.45 1.16 -2.16 0.00 0.00 0.00 175.10 174.69 3hso s PRO 545 N 1.43 4.56 -0.34 2.72 0.04 -1.26 -2.01 135.00 140.14 3hso s PRO 545 Ca 0.03 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 3hso s PRO 545 Cb -0.13 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 3hso s PRO 545 CO -0.09 0.09 0.29 0.42 0.04 0.00 0.00 177.00 177.75 3hso s ILE 546 N -1.07 5.23 0.34 0.56 -1.09 0.64 -4.86 121.20 120.95 3hso s ILE 546 Ca 0.46 -0.06 0.06 0.00 -2.23 0.00 0.00 60.65 58.88 3hso s ILE 546 Cb -0.34 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.72 3hso s ILE 546 CO 0.44 -0.03 -0.01 0.00 -1.23 0.00 0.00 174.94 174.12 3hso s ARG 547 N 1.86 1.72 -0.03 2.79 3.03 -1.26 -4.06 118.95 123.00 3hso s ARG 547 Ca 0.09 -1.93 0.06 0.00 2.03 0.00 0.00 55.73 55.98 3hso s ARG 547 Cb -0.17 -1.26 -0.02 0.00 -1.03 0.00 0.00 34.95 32.47 3hso s ARG 547 CO 0.11 -0.05 -0.21 -1.58 -1.13 0.00 0.00 175.30 172.44 3hso s HIS 548 N -2.98 2.48 -0.43 5.89 2.46 -1.26 -4.37 115.29 117.08 3hso s HIS 548 Ca 0.34 -0.33 0.25 0.00 0.47 0.00 0.00 55.06 55.79 3hso s HIS 548 Cb 0.07 -1.55 1.00 0.00 -0.13 0.00 0.00 32.58 31.97 3hso s HIS 548 CO 0.15 0.05 1.76 -1.00 -2.47 0.00 0.00 174.74 173.23 3hso h PRO 549 N 5.42 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 135.17 3hso h PRO 549 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 3hso h PRO 549 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3hso h PRO 549 CO 0.48 0.00 -1.45 1.63 -0.23 0.00 0.00 178.00 178.43 3hso n LYS 550 N -2.38 0.19 -2.77 0.86 5.02 -1.26 -4.96 118.16 112.86 3hso n LYS 550 Ca 0.02 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 3hso n LYS 550 Cb 0.27 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.21 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 -2.15 2.75 0.26 2.13 0.08 -1.25 -4.89 117.98 114.90 3hso s PHE 551 Ca -0.11 0.14 0.25 0.00 0.12 0.00 0.00 56.93 57.33 3hso s PHE 551 Cb 0.03 -4.18 1.14 0.00 -0.57 0.00 0.00 43.02 39.44 3hso s PHE 551 CO 0.17 -1.39 1.93 0.22 -0.10 0.00 0.00 175.22 176.04 3hso h ASP 552 N 9.35 0.00 0.81 1.36 3.58 -1.93 -2.74 116.42 126.86 3hso h ASP 552 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3hso h ASP 552 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 3hso h ASP 552 CO 1.11 0.19 0.00 4.11 -2.88 0.00 0.00 179.24 181.77 3hso h TRP 553 N 0.00 0.00 -0.84 0.28 5.08 -1.95 -3.32 115.95 115.20 3hso h TRP 553 Ca -0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 3hso h TRP 553 Cb 0.58 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.70 3hso h TRP 553 CO 0.00 0.00 0.55 0.35 -1.28 0.00 0.00 178.44 178.06 3hso h PHE 554 N 0.00 1.03 -0.00 0.12 3.04 -1.86 -0.78 116.94 118.50 3hso h PHE 554 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3hso h PHE 554 Cb 0.41 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 3hso h PHE 554 CO 0.00 0.63 0.01 1.57 -2.02 0.00 0.00 178.31 178.50 3hso h LYS 555 N 1.10 0.00 0.00 1.11 2.10 -1.71 -1.66 116.57 117.52 3hso h LYS 555 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3hso h LYS 555 Cb -0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3hso h LYS 555 CO -0.08 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 176.93 3hso h ASP 556 N 0.00 0.00 0.18 7.07 3.32 -1.37 -2.48 116.42 123.14 3hso h ASP 556 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hso h ASP 556 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hso h ASP 556 CO -0.00 0.00 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.42 3hso h LEU 557 N 0.00 0.00 0.21 1.55 3.38 -1.39 -3.46 115.31 115.59 3hso h LEU 557 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hso h LEU 557 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hso h LEU 557 CO 0.00 0.03 -0.12 0.61 0.09 0.00 0.00 178.44 179.05 3hso n GLY 558 N -0.96 0.31 3.83 0.83 0.00 -0.94 -5.02 105.19 103.23 3hso n GLY 558 Ca -0.02 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.55 4.44 0.06 0.99 1.43 -1.26 -5.03 118.68 117.77 3hso s LEU 559 Ca 0.03 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3hso s LEU 559 Cb -0.01 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3hso s LEU 559 CO 0.04 0.30 -0.04 -1.59 0.23 0.00 0.00 176.35 175.29 3hso s LYS 560 N -0.86 0.68 0.24 1.70 -2.85 -1.26 -0.26 119.74 117.12 3hso s LYS 560 Ca 0.22 -1.26 0.01 0.00 -1.00 0.00 0.00 55.97 53.95 3hso s LYS 560 Cb -0.16 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 3hso s LYS 560 CO 0.12 -0.09 0.13 -0.46 0.10 0.00 0.00 175.35 175.14 3hso s TRP 561 N -3.85 1.40 0.21 1.78 -0.11 -0.85 -4.95 118.94 112.57 3hso s TRP 561 Ca 0.09 -1.31 -0.02 0.00 1.22 0.00 0.00 56.10 56.08 3hso s TRP 561 Cb 0.07 -0.75 -0.05 0.00 -1.50 0.00 0.00 33.47 31.25 3hso s TRP 561 CO -0.08 -0.51 0.42 1.52 -4.62 0.00 0.00 176.95 173.68 3hso s TYR 562 N -3.89 3.48 -0.47 5.86 -0.85 -1.26 -0.16 117.35 120.05 3hso s TYR 562 Ca 0.38 0.42 0.24 0.00 -0.52 0.00 0.00 57.07 57.59 3hso s TYR 562 Cb 0.07 -1.91 0.34 0.00 0.38 0.00 0.00 41.96 40.83 3hso s TYR 562 CO 0.14 0.34 1.45 0.78 -1.52 0.00 0.00 175.55 176.75 3hso h GLY 563 N 2.01 0.00 -7.65 5.49 0.00 -1.44 -3.45 103.07 98.03 3hso h GLY 563 Ca -0.48 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.17 3hso h GLY 563 CO 0.68 0.00 -0.64 -2.27 0.00 0.00 0.00 176.54 174.31 3hso s LEU 564 N -5.39 4.53 -0.26 3.11 2.96 -1.26 -4.58 118.68 117.78 3hso s LEU 564 Ca 0.06 -1.67 -0.25 0.00 -0.22 0.00 0.00 54.13 52.05 3hso s LEU 564 Cb 0.09 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3hso s LEU 564 CO 0.69 -0.38 0.84 -2.16 -1.32 0.00 0.00 176.35 174.02 3hso s PRO 565 N 1.17 4.12 -0.41 0.98 0.04 -1.26 -4.65 135.00 134.99 3hso s PRO 565 Ca 0.02 0.87 0.02 0.00 0.04 0.00 0.00 61.00 61.95 3hso s PRO 565 Cb -0.21 -3.67 0.15 0.00 0.04 0.00 0.00 34.50 30.81 3hso s PRO 565 CO -0.03 -0.58 0.28 0.00 0.04 0.00 0.00 177.00 176.70 3hso s ALA 566 N 2.93 1.46 0.04 8.56 0.00 -1.26 -3.58 121.76 129.90 3hso s ALA 566 Ca 0.35 -2.30 -0.31 0.00 0.00 0.00 0.00 51.96 49.70 3hso s ALA 566 Cb -0.15 -1.68 -0.10 0.00 0.00 0.00 0.00 23.12 21.19 3hso s ALA 566 CO 0.09 -2.05 1.92 0.28 0.00 0.00 0.00 175.76 176.00 3hso n VAL 567 N 3.43 0.63 -0.09 0.00 0.31 -0.62 -1.18 118.33 120.81 3hso n VAL 567 Ca 0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3hso n VAL 567 Cb 0.40 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 3hso n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hso n SER 568 N 6.85 1.18 -0.81 4.52 3.41 -0.53 -1.50 113.62 126.74 3hso n SER 568 Ca 0.20 -1.27 0.08 0.00 -0.26 0.00 0.00 58.87 57.62 3hso n SER 568 Cb 0.38 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.13 2.96 -4.96 4.04 6.94 -1.21 -4.44 115.26 118.45 3hso n ASN 569 Ca 0.00 -1.88 -0.22 0.00 -0.02 0.00 0.00 54.58 52.46 3hso n ASN 569 Cb 0.10 -0.21 0.04 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.12 2.59 -0.16 -3.83 -1.94 -1.26 -4.43 119.30 109.15 3hso s MET 570 Ca 0.28 -0.61 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 3hso s MET 570 Cb 0.16 -2.44 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 3hso s MET 570 CO 0.22 -0.72 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.25 3hso s LEU 571 N -4.82 2.92 -0.33 -0.03 0.20 0.05 -4.36 118.68 112.31 3hso s LEU 571 Ca 0.56 -0.29 -0.17 0.00 0.69 0.00 0.00 54.13 54.92 3hso s LEU 571 Cb -0.10 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 3hso s LEU 571 CO 0.40 0.11 0.44 -0.22 -0.29 0.00 0.00 176.35 176.79 3hso s LEU 572 N 0.69 4.33 -0.27 -0.68 2.96 -0.30 -0.03 118.68 125.39 3hso s LEU 572 Ca -0.04 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 3hso s LEU 572 Cb -0.15 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 3hso s LEU 572 CO 0.02 -0.38 0.18 -0.70 -1.32 0.00 0.00 176.35 174.15 3hso s GLU 573 N 2.21 3.96 -0.08 1.98 2.12 0.35 -0.51 118.70 128.73 3hso s GLU 573 Ca 0.16 -0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 3hso s GLU 573 Cb -0.16 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.64 3hso s GLU 573 CO 0.12 -0.12 -0.05 0.42 -0.54 0.00 0.00 175.26 175.09 3hso s ILE 574 N 1.59 0.71 -1.42 -3.70 1.01 -0.38 -1.50 121.20 117.50 3hso s ILE 574 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 3hso s ILE 574 Cb -0.15 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.59 3hso s ILE 574 CO 0.09 0.30 0.48 0.61 0.00 0.00 0.00 174.94 176.42 3hso n GLY 575 N 4.64 -0.51 2.45 6.18 0.00 -1.26 -0.09 105.19 116.61 3hso n GLY 575 Ca -0.15 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.31 2.48 3.81 -0.02 0.00 -1.26 -3.32 105.19 105.57 3hso n GLY 576 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 4.19 -0.24 0.99 1.43 0.87 -4.92 118.68 121.01 3hso s LEU 577 Ca 0.00 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 3hso s LEU 577 Cb 0.00 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.21 3hso s LEU 577 CO 0.00 -0.14 -0.13 -1.61 0.23 0.00 0.00 176.35 174.70 3hso s GLU 578 N -2.48 2.56 -0.58 1.70 2.02 -1.26 -1.25 118.70 119.41 3hso s GLU 578 Ca 0.52 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 3hso s GLU 578 Cb -0.14 -2.82 0.15 0.00 0.10 0.00 0.00 34.13 31.42 3hso s GLU 578 CO 0.19 -0.44 0.49 -0.06 0.02 0.00 0.00 175.26 175.47 3hso s PHE 579 N 1.20 3.42 -0.46 1.61 0.08 0.33 -0.24 117.98 123.93 3hso s PHE 579 Ca -0.03 -1.73 0.26 0.00 0.12 0.00 0.00 56.93 55.55 3hso s PHE 579 Cb -0.17 -3.66 0.89 0.00 -0.57 0.00 0.00 43.02 39.51 3hso s PHE 579 CO -0.07 -0.99 1.77 0.66 -0.10 0.00 0.00 175.22 176.48 3hso h SER 580 N 8.39 0.00 -3.59 1.36 4.64 -1.81 -0.78 113.55 121.76 3hso h SER 580 Ca -0.17 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.55 3hso h SER 580 Cb 1.07 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.77 3hso h SER 580 CO 0.90 0.00 -0.78 0.00 -0.87 0.00 0.00 176.83 176.08 3hso s ALA 581 N -3.29 1.89 -0.40 5.18 0.00 -1.22 -4.67 121.76 119.26 3hso s ALA 581 Ca 0.06 -1.34 0.10 0.00 0.00 0.00 0.00 51.96 50.78 3hso s ALA 581 Cb 0.10 -1.43 0.37 0.00 0.00 0.00 0.00 23.12 22.15 3hso s ALA 581 CO 0.53 -1.22 1.07 0.00 0.00 0.00 0.00 175.76 176.14 3hso s PRO 583 N -0.95 4.16 0.11 0.00 0.04 -1.16 -4.66 135.00 132.53 3hso s PRO 583 Ca 0.27 2.50 0.02 0.00 0.04 0.00 0.00 61.00 63.84 3hso s PRO 583 Cb 0.36 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3hso s PRO 583 CO -0.05 -0.49 -0.08 -0.59 0.04 0.00 0.00 177.00 175.83 3hso s PHE 584 N -0.82 0.99 -0.04 0.56 -0.12 -0.56 -1.83 117.98 116.16 3hso s PHE 584 Ca 0.55 -0.87 -0.13 0.00 -0.05 0.00 0.00 56.93 56.42 3hso s PHE 584 Cb -0.45 -0.55 0.02 0.00 -0.63 0.00 0.00 43.02 41.41 3hso s PHE 584 CO 0.57 -0.08 0.30 -1.54 -0.05 0.00 0.00 175.22 174.42 3hso s SER 585 N -3.07 -0.21 0.00 1.98 1.04 -0.14 -1.60 113.70 111.71 3hso s SER 585 Ca 0.13 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3hso s SER 585 Cb 0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3hso s SER 585 CO -0.03 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3hso n GLY 586 N 1.68 2.45 3.26 7.32 0.00 -1.23 -1.52 105.19 117.14 3hso n GLY 586 Ca -0.20 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 2.69 0.43 0.43 1.61 -2.14 -1.26 -4.69 118.94 116.01 3hso s TRP 587 Ca 0.00 -0.82 -0.24 0.00 2.66 0.00 0.00 56.10 57.70 3hso s TRP 587 Cb 0.00 -0.15 -0.08 0.00 -3.10 0.00 0.00 33.47 30.14 3hso s TRP 587 CO 0.00 -0.63 1.15 0.71 -2.66 0.00 0.00 176.95 175.52 3hso s TYR 588 N -3.96 3.01 -0.08 1.66 2.02 -1.26 -4.89 117.35 113.85 3hso s TYR 588 Ca 0.15 1.56 -0.13 0.00 -0.37 0.00 0.00 57.07 58.28 3hso s TYR 588 Cb 0.05 -3.34 -0.05 0.00 -0.40 0.00 0.00 41.96 38.21 3hso s TYR 588 CO -0.03 -1.29 0.32 1.41 -1.57 0.00 0.00 175.55 174.40 3hso s MET 589 N -2.51 3.94 0.22 -0.62 -2.45 -1.26 -0.80 119.30 115.83 3hso s MET 589 Ca 0.60 0.21 -0.07 0.00 -1.25 0.00 0.00 55.69 55.18 3hso s MET 589 Cb -0.28 -3.29 0.33 0.00 1.25 0.00 0.00 34.83 32.84 3hso s MET 589 CO 0.35 0.54 1.77 0.78 1.05 0.00 0.00 175.02 179.51 3hso h GLY 590 N 5.47 1.03 0.93 2.11 0.00 -0.92 -1.57 103.07 110.13 3hso h GLY 590 Ca -0.49 -0.20 0.13 0.00 0.00 0.00 0.00 47.33 46.78 3hso h GLY 590 CO 0.66 0.03 0.41 -0.91 0.00 0.00 0.00 176.54 176.73 3hso h THR 591 N 0.55 0.80 -0.68 4.70 1.35 -1.94 -1.15 112.91 116.54 3hso h THR 591 Ca 0.34 -0.07 0.14 0.00 -0.55 0.00 0.00 66.41 66.27 3hso h THR 591 Cb 0.38 0.57 -0.10 0.00 -1.73 0.00 0.00 68.15 67.28 3hso h THR 591 CO -0.28 0.04 0.14 -0.33 -0.25 0.00 0.00 175.52 174.84 3hso h GLU 592 N 0.21 0.24 0.02 4.72 5.08 -1.69 -0.15 114.58 123.02 3hso h GLU 592 Ca 0.28 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 3hso h GLU 592 Cb 0.82 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3hso h GLU 592 CO -0.05 0.16 -1.02 0.82 -1.00 0.00 0.00 179.01 177.92 3hso h ILE 593 N 0.25 1.13 -0.16 3.13 2.04 -1.41 -2.10 117.51 120.39 3hso h ILE 593 Ca 0.37 -2.26 -0.18 0.00 1.00 0.00 0.00 64.86 63.80 3hso h ILE 593 Cb 0.61 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3hso h ILE 593 CO -0.48 0.46 -0.63 1.23 0.00 0.00 0.00 178.15 178.73 3hso h GLY 594 N -0.76 0.62 0.00 5.37 0.00 -1.17 0.51 103.07 107.64 3hso h GLY 594 Ca -0.26 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.16 3hso h GLY 594 CO -0.11 0.70 -0.93 -0.62 0.00 0.00 0.00 176.54 175.59 3hso n VAL 595 N -3.92 1.48 -0.05 4.60 0.31 -0.10 -4.04 118.33 116.60 3hso n VAL 595 Ca -0.04 0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.37 3hso n VAL 595 Cb 0.65 -2.21 -0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 -1.00 0.00 -0.62 5.55 2.47 -1.50 -2.07 114.38 117.22 3hso h ARG 596 Ca -0.19 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 3hso h ARG 596 Cb 0.93 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.22 3hso h ARG 596 CO -0.11 0.00 0.19 -0.44 0.56 0.00 0.00 179.97 180.17 3hso h ASP 597 N -0.88 0.87 0.46 7.04 3.32 -1.15 -1.90 116.42 124.18 3hso h ASP 597 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 57.03 56.61 3hso h ASP 597 Cb 0.06 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3hso h ASP 597 CO 0.00 0.81 -1.65 1.88 -1.72 0.00 0.00 179.24 178.56 3hso h TYR 598 N 0.90 0.19 0.00 4.55 0.05 -1.08 -2.52 116.97 119.06 3hso h TYR 598 Ca 0.20 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3hso h TYR 598 Cb 0.26 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3hso h TYR 598 CO 0.02 1.23 -0.87 0.00 -1.05 0.00 0.00 178.16 177.49 3hso n ASP 600 N -1.48 1.58 0.24 0.00 9.92 -0.72 -4.56 116.55 121.52 3hso n ASP 600 Ca -0.00 1.16 0.07 0.00 -0.53 0.00 0.00 54.79 55.49 3hso n ASP 600 Cb 0.14 -1.29 0.57 0.00 -0.64 0.00 0.00 41.12 39.89 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 2.77 0.00 -0.59 -2.24 2.35 -1.92 -1.54 115.58 114.40 3hso h ASN 601 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3hso h ASN 601 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 3hso h ASN 601 CO 0.66 0.11 0.00 -1.54 -1.65 0.00 0.00 177.43 175.01 3hso n SER 602 N -4.38 4.72 0.00 5.81 3.41 -1.26 -4.65 113.62 117.27 3hso n SER 602 Ca -0.03 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3hso n SER 602 Cb 0.18 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 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 0.95 0.19 0.26 4.33 5.12 -0.60 -4.24 116.66 122.66 3hso n ARG 603 Ca 0.25 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.32 3hso n ARG 603 Cb 0.91 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.72 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 -6.38 -1.55 -1.99 -1.59 -3.40 116.97 102.05 3hso h TYR 604 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 3hso h TYR 604 Cb 0.00 0.00 0.05 0.00 2.00 0.00 0.00 36.73 38.78 3hso h TYR 604 CO 0.00 0.00 -0.95 -1.71 -0.00 0.00 0.00 178.16 175.50 3hso n ASN 605 N -3.08 -4.54 -0.79 3.88 5.15 -0.41 -4.90 115.26 110.58 3hso n ASN 605 Ca 0.02 -1.07 0.12 0.00 -0.60 0.00 0.00 54.58 53.05 3hso n ASN 605 Cb 0.38 -3.04 0.12 0.00 -0.53 0.00 0.00 39.78 36.71 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 -4.37 0.00 -0.06 -1.44 -5.35 -0.32 -4.64 119.36 103.18 3hso n ILE 606 Ca -0.12 -0.41 -0.07 0.00 -0.27 0.00 0.00 62.75 61.88 3hso n ILE 606 Cb 0.60 1.33 -0.01 0.00 -1.74 0.00 0.00 39.64 39.81 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 3.86 -0.47 -0.05 7.28 3.38 -1.87 -2.14 115.31 125.29 3hso h LEU 607 Ca 0.00 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3hso h LEU 607 Cb 0.89 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3hso h LEU 607 CO 0.00 -0.18 -0.27 -0.33 0.09 0.00 0.00 178.44 177.75 3hso h GLU 608 N -0.11 -0.37 -0.60 1.13 5.08 -1.99 0.18 114.58 117.90 3hso h GLU 608 Ca 0.14 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3hso h GLU 608 Cb 0.33 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 3hso h GLU 608 CO -0.34 -0.24 0.09 0.93 -1.00 0.00 0.00 179.01 178.44 3hso h GLU 609 N -0.38 0.20 -0.35 2.33 5.08 -1.82 -0.24 114.58 119.40 3hso h GLU 609 Ca 0.08 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3hso h GLU 609 Cb 0.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3hso h GLU 609 CO -0.27 0.13 -0.13 0.28 -1.00 0.00 0.00 179.01 178.03 3hso h VAL 610 N 0.21 1.28 -0.50 3.13 2.07 -0.87 -2.59 116.25 118.97 3hso h VAL 610 Ca 0.32 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3hso h VAL 610 Cb 0.49 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3hso h VAL 610 CO -0.44 0.40 0.30 0.00 0.02 0.00 0.00 177.57 177.85 3hso h ALA 611 N 0.80 0.64 -0.13 1.67 0.00 -0.16 -1.86 119.26 120.22 3hso h ALA 611 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hso h ALA 611 Cb 0.65 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3hso h ALA 611 CO 0.04 0.13 -0.16 0.87 0.00 0.00 0.00 179.25 180.13 3hso h LYS 612 N 0.67 -0.19 0.00 0.00 1.57 -0.99 -1.08 116.57 116.55 3hso h LYS 612 Ca 0.18 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hso h LYS 612 Cb -0.01 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hso h LYS 612 CO -0.03 -0.12 -0.02 0.87 -0.57 0.00 0.00 179.45 179.57 3hso h LYS 613 N -0.19 0.00 0.00 3.15 1.79 -1.10 0.43 116.57 120.65 3hso h LYS 613 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3hso h LYS 613 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3hso h LYS 613 CO -0.25 0.02 -0.38 -1.33 -1.08 0.00 0.00 179.45 176.43 3hso n MET 614 N -3.38 0.04 -3.72 3.15 2.81 -0.57 -4.97 117.12 110.48 3hso n MET 614 Ca -0.02 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.63 3hso n MET 614 Cb 0.13 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.59 -2.54 -4.94 7.83 2.03 0.14 -5.02 116.55 112.47 3hso n ASP 615 Ca 0.06 -0.91 -0.24 0.00 0.52 0.00 0.00 54.79 54.21 3hso n ASP 615 Cb 0.35 -3.73 0.04 0.00 -0.72 0.00 0.00 41.12 37.06 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 -6.59 3.21 -0.61 -2.67 1.43 -1.16 -5.01 118.68 107.28 3hso s LEU 616 Ca 0.17 0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 53.40 3hso s LEU 616 Cb -0.05 -3.19 0.04 0.00 0.03 0.00 0.00 46.19 43.02 3hso s LEU 616 CO 0.84 -1.16 1.07 -0.62 0.23 0.00 0.00 176.35 176.71 3hso s ASP 617 N -4.38 6.30 -0.05 2.29 2.15 -1.26 -4.85 116.67 116.88 3hso s ASP 617 Ca 0.55 -0.38 0.20 0.00 0.43 0.00 0.00 52.55 53.35 3hso s ASP 617 Cb -0.10 -2.48 0.65 0.00 -0.30 0.00 0.00 42.92 40.68 3hso s ASP 617 CO 0.42 -1.44 1.55 0.23 -0.17 0.00 0.00 175.17 175.76 3hso n MET 618 N 8.11 3.07 0.18 4.34 2.81 -1.26 -4.21 117.12 130.16 3hso n MET 618 Ca 0.03 -2.62 0.07 0.00 -1.81 0.00 0.00 57.70 53.36 3hso n MET 618 Cb 0.48 -1.69 0.21 0.00 -0.71 0.00 0.00 33.22 31.51 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 4.03 0.00 -4.09 0.03 3.08 -2.04 -3.45 114.38 111.95 3hso h ARG 619 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 3hso h ARG 619 Cb 1.14 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.90 3hso h ARG 619 CO 0.10 0.31 -0.75 -1.59 -1.07 0.00 0.00 179.97 176.97 3hso s LYS 620 N -3.25 0.32 0.34 0.04 -2.85 -1.26 -5.04 119.74 108.05 3hso s LYS 620 Ca 0.03 -0.11 0.03 0.00 -1.00 0.00 0.00 55.97 54.93 3hso s LYS 620 Cb 0.08 -0.34 0.62 0.00 -2.06 0.00 0.00 37.83 36.14 3hso s LYS 620 CO 0.69 0.05 1.94 1.79 0.10 0.00 0.00 175.35 179.92 3hso h THR 621 N 5.25 1.18 0.00 3.79 1.35 -1.90 -2.99 112.91 119.58 3hso h THR 621 Ca -0.29 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3hso h THR 621 Cb 1.19 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3hso h THR 621 CO 0.50 0.21 0.00 -1.54 -0.25 0.00 0.00 175.52 174.44 3hso n SER 622 N -4.36 0.00 0.00 5.36 3.41 -1.26 0.10 113.62 116.87 3hso n SER 622 Ca 0.03 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 3hso n SER 622 Cb 0.15 -0.28 0.51 0.00 -0.26 0.00 0.00 64.21 64.33 3hso n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hso n SER 623 N -1.28 0.00 -3.53 4.04 3.41 -1.13 -4.93 113.62 110.21 3hso n SER 623 Ca 0.07 0.41 -0.26 0.00 -0.26 0.00 0.00 58.87 58.83 3hso n SER 623 Cb 0.11 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 3hso n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hso n LEU 624 N -1.46 -2.41 -0.15 1.04 4.77 0.11 -4.90 117.00 114.00 3hso n LEU 624 Ca 0.06 -0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 55.49 3hso n LEU 624 Cb 0.25 -2.60 0.21 0.00 -2.33 0.00 0.00 43.42 38.96 3hso n LEU 624 CO 0.21 0.35 1.05 4.11 -1.33 0.00 0.00 177.39 181.78 3hso h TRP 625 N -1.70 0.87 -0.66 -1.77 5.08 -1.82 -1.77 115.95 114.17 3hso h TRP 625 Ca -0.53 -0.05 0.01 0.00 1.08 0.00 0.00 58.89 59.40 3hso h TRP 625 Cb 1.35 -0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 27.21 3hso h TRP 625 CO 0.58 0.68 0.44 0.87 -1.28 0.00 0.00 178.44 179.72 3hso h LYS 626 N 0.85 0.88 -0.47 0.12 1.57 -1.90 -1.50 116.57 116.11 3hso h LYS 626 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3hso h LYS 626 Cb 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3hso h LYS 626 CO -0.02 0.58 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.87 3hso h ASP 627 N 0.90 0.88 -0.04 0.86 5.19 -1.84 -0.62 116.42 121.76 3hso h ASP 627 Ca 0.24 -0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3hso h ASP 627 Cb -0.10 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.17 3hso h ASP 627 CO -0.05 1.02 -0.01 1.56 -3.12 0.00 0.00 179.24 178.64 3hso h GLN 628 N 0.79 0.07 -0.96 3.56 4.20 -1.11 -2.41 115.11 119.25 3hso h GLN 628 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hso h GLN 628 Cb 0.66 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 3hso h GLN 628 CO 0.05 0.44 0.58 0.00 -0.67 0.00 0.00 178.83 179.23 3hso h ALA 629 N 0.63 1.22 -0.34 3.87 0.00 -1.28 -2.55 119.26 120.80 3hso h ALA 629 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hso h ALA 629 Cb 0.42 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hso h ALA 629 CO 0.00 0.67 0.18 1.25 0.00 0.00 0.00 179.25 181.35 3hso h LEU 630 N 1.32 0.27 -0.79 0.00 5.85 -1.00 -1.47 115.31 119.48 3hso h LEU 630 Ca 0.34 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 3hso h LEU 630 Cb -0.06 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hso h LEU 630 CO -0.07 0.20 0.48 0.58 -0.34 0.00 0.00 178.44 179.29 3hso h VAL 631 N 0.36 1.22 -0.45 1.05 2.07 -1.14 -2.32 116.25 117.05 3hso h VAL 631 Ca 0.14 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 3hso h VAL 631 Cb 0.04 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3hso h VAL 631 CO -0.09 0.23 -0.22 -0.33 0.02 0.00 0.00 177.57 177.18 3hso h GLU 632 N 1.08 0.92 -0.88 1.57 4.39 -1.04 -0.16 114.58 120.47 3hso h GLU 632 Ca 0.28 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3hso h GLU 632 Cb -0.05 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3hso h GLU 632 CO -0.05 1.04 0.54 0.82 -1.16 0.00 0.00 179.01 180.20 3hso h ILE 633 N 0.80 1.24 -0.02 3.13 2.04 -1.09 -1.64 117.51 121.97 3hso h ILE 633 Ca 0.11 -0.50 -0.17 0.00 1.00 0.00 0.00 64.86 65.30 3hso h ILE 633 Cb 0.77 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3hso h ILE 633 CO 0.06 0.25 -0.74 0.78 0.00 0.00 0.00 178.15 178.50 3hso h ASN 634 N 1.20 0.19 -0.50 1.72 2.35 -0.92 -2.32 115.58 117.30 3hso h ASN 634 Ca 0.32 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3hso h ASN 634 Cb -0.07 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3hso h ASN 634 CO -0.06 0.86 0.23 0.40 -1.65 0.00 0.00 177.43 177.21 3hso h ILE 635 N 0.10 1.20 -0.69 2.81 2.04 -0.63 -2.77 117.51 119.56 3hso h ILE 635 Ca -0.02 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3hso h ILE 635 Cb 1.30 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3hso h ILE 635 CO 0.11 0.22 0.31 0.00 0.00 0.00 0.00 178.15 178.79 3hso h ALA 636 N 1.07 0.90 0.39 1.87 0.00 -1.20 -1.15 119.26 121.13 3hso h ALA 636 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hso h ALA 636 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hso h ALA 636 CO -0.02 0.49 -0.22 0.28 0.00 0.00 0.00 179.25 179.78 3hso h VAL 637 N 0.98 0.55 -0.59 0.00 2.07 -1.37 -0.82 116.25 117.07 3hso h VAL 637 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 3hso h VAL 637 Cb 0.16 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3hso h VAL 637 CO -0.03 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.88 3hso h LEU 638 N -0.57 0.68 -0.41 2.57 3.38 -1.38 -2.16 115.31 117.43 3hso h LEU 638 Ca -0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hso h LEU 638 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hso h LEU 638 CO 0.06 0.50 0.15 0.22 0.09 0.00 0.00 178.44 179.46 3hso h TYR 639 N 0.80 0.64 -0.29 1.13 3.20 -1.12 -1.05 116.97 120.27 3hso h TYR 639 Ca 0.22 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3hso h TYR 639 Cb -0.09 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3hso h TYR 639 CO -0.03 0.57 0.18 0.77 -1.64 0.00 0.00 178.16 178.01 3hso h SER 640 N 0.51 0.30 -0.26 -2.11 0.02 -0.99 0.41 113.55 111.43 3hso h SER 640 Ca 0.13 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3hso h SER 640 Cb 0.22 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hso h SER 640 CO -0.01 0.22 0.05 -0.26 -1.14 0.00 0.00 176.83 175.69 3hso h PHE 641 N 0.36 0.44 -0.76 3.45 -1.00 -1.35 -2.45 116.94 115.64 3hso h PHE 641 Ca 0.11 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3hso h PHE 641 Cb -0.02 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 3hso h PHE 641 CO -0.07 0.52 0.50 1.96 -1.61 0.00 0.00 178.31 179.61 3hso h GLN 642 N 0.24 0.99 -0.07 1.51 4.20 -1.12 0.70 115.11 121.55 3hso h GLN 642 Ca 0.08 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 3hso h GLN 642 Cb 0.31 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3hso h GLN 642 CO 0.00 0.65 -0.54 0.77 -0.67 0.00 0.00 178.83 179.04 3hso h SER 643 N 1.02 0.24 -0.21 1.46 0.02 -0.81 -1.15 113.55 114.12 3hso h SER 643 Ca 0.28 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hso h SER 643 Cb -0.10 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3hso h SER 643 CO -0.07 0.74 0.00 0.47 -1.14 0.00 0.00 176.83 176.83 3hso n ASP 644 N -3.92 1.21 -3.91 3.07 8.00 -0.93 -4.95 116.55 115.12 3hso n ASP 644 Ca -0.02 -1.92 -0.28 0.00 0.71 0.00 0.00 54.79 53.28 3hso n ASP 644 Cb 0.57 -0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.13 -4.47 -3.96 -1.24 5.02 -0.43 -4.99 118.16 108.22 3hso n LYS 645 Ca 0.09 0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 56.55 3hso n LYS 645 Cb 0.20 -5.11 -0.12 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.56 4.33 0.17 -0.18 1.01 0.17 -4.26 120.40 118.08 3hso s VAL 646 Ca 0.34 -0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.80 3hso s VAL 646 Cb -0.17 -2.98 -0.15 0.00 0.00 0.00 0.00 36.38 33.08 3hso s VAL 646 CO 0.85 0.40 1.37 0.41 0.00 0.00 0.00 175.10 178.14 3hso n THR 647 N 4.26 0.49 -3.69 3.92 -1.04 -0.07 -4.19 114.28 113.97 3hso n THR 647 Ca -0.17 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.05 61.58 3hso n THR 647 Cb 0.52 -1.19 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.27 0.04 -0.06 12.58 2.07 -1.26 -4.46 121.20 130.38 3hso s ILE 648 Ca 0.76 -0.32 0.06 0.00 -1.41 0.00 0.00 60.65 59.74 3hso s ILE 648 Cb -0.77 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.08 3hso s ILE 648 CO 0.47 -0.17 -0.23 0.54 -1.91 0.00 0.00 174.94 173.63 3hso s VAL 649 N -1.24 1.90 0.62 4.00 0.11 0.02 -4.99 120.40 120.82 3hso s VAL 649 Ca -0.12 -0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 57.83 3hso s VAL 649 Cb -0.04 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 3hso s VAL 649 CO 0.06 0.53 1.03 1.51 -3.33 0.00 0.00 175.10 174.90 3hso s ASP 650 N -0.09 6.10 0.53 3.54 1.47 -1.26 -0.21 116.67 126.75 3hso s ASP 650 Ca -0.04 1.48 0.23 0.00 1.18 0.00 0.00 52.55 55.40 3hso s ASP 650 Cb -0.13 -2.48 1.44 0.00 -0.34 0.00 0.00 42.92 41.40 3hso s ASP 650 CO 0.04 -0.96 2.13 1.12 0.68 0.00 0.00 175.17 178.18 3hso h HIS 651 N -0.24 0.00 0.08 2.11 2.07 -1.98 -0.64 115.15 116.55 3hso h HIS 651 Ca -0.44 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3hso h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3hso h HIS 651 CO 0.65 0.07 -0.04 0.45 -3.07 0.00 0.00 177.93 175.99 3hso h HIS 652 N 0.00 -0.10 -0.54 6.12 3.86 -1.96 -2.39 115.15 120.14 3hso h HIS 652 Ca -0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3hso h HIS 652 Cb 0.14 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 3hso h HIS 652 CO 0.00 0.39 0.30 1.03 0.86 0.00 0.00 177.93 180.51 3hso h SER 653 N -0.64 0.46 -0.54 2.45 0.87 -1.88 -1.60 113.55 112.67 3hso h SER 653 Ca -0.01 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3hso h SER 653 Cb 0.53 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3hso h SER 653 CO 0.02 0.32 -0.10 0.00 -0.53 0.00 0.00 176.83 176.53 3hso h ALA 654 N 1.26 0.74 -0.05 6.23 0.00 -1.18 -1.41 119.26 124.87 3hso h ALA 654 Ca 0.23 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3hso h ALA 654 Cb 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hso h ALA 654 CO -0.13 0.66 -0.81 1.79 0.00 0.00 0.00 179.25 180.76 3hso h THR 655 N 0.90 1.40 -0.40 0.00 1.35 -1.26 -1.11 112.91 113.79 3hso h THR 655 Ca 0.14 -2.28 0.02 0.00 -0.55 0.00 0.00 66.41 63.74 3hso h THR 655 Cb 0.67 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 69.30 3hso h THR 655 CO 0.05 0.68 0.23 -0.08 -0.25 0.00 0.00 175.52 176.15 3hso h GLU 656 N 0.24 0.44 -0.60 4.72 4.81 -1.18 -1.63 114.58 121.39 3hso h GLU 656 Ca -0.05 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3hso h GLU 656 Cb 1.41 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 3hso h GLU 656 CO 0.14 0.29 0.38 0.66 -0.73 0.00 0.00 179.01 179.75 3hso h SER 657 N 0.46 0.62 -0.59 1.04 4.64 -1.10 -2.56 113.55 116.06 3hso h SER 657 Ca 0.16 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3hso h SER 657 Cb 0.03 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3hso h SER 657 CO -0.08 0.44 0.18 0.15 -0.87 0.00 0.00 176.83 176.64 3hso h PHE 658 N 0.75 0.96 -0.51 4.77 3.57 -0.77 -0.43 116.94 125.28 3hso h PHE 658 Ca 0.24 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3hso h PHE 658 Cb -0.01 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 3hso h PHE 658 CO -0.05 0.80 0.30 0.82 -2.23 0.00 0.00 178.31 177.95 3hso h ILE 659 N 0.84 1.04 -0.50 1.41 1.08 -1.17 0.15 117.51 120.36 3hso h ILE 659 Ca 0.19 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3hso h ILE 659 Cb 0.30 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.41 3hso h ILE 659 CO -0.00 0.11 0.28 0.50 -0.69 0.00 0.00 178.15 178.34 3hso h LYS 660 N 0.59 0.54 -0.68 2.37 3.64 -1.11 -1.46 116.57 120.45 3hso h LYS 660 Ca 0.21 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3hso h LYS 660 Cb 0.04 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3hso h LYS 660 CO -0.10 0.35 0.43 1.25 -2.27 0.00 0.00 179.45 179.11 3hso h HIS 661 N 0.55 0.81 -0.43 1.91 2.76 -0.38 0.21 115.15 120.58 3hso h HIS 661 Ca 0.21 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.44 3hso h HIS 661 Cb 0.07 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.73 3hso h HIS 661 CO -0.08 0.47 0.21 0.52 -1.30 0.00 0.00 177.93 177.75 3hso h MET 662 N 0.85 0.41 -0.50 5.26 2.86 -0.30 0.19 114.93 123.70 3hso h MET 662 Ca 0.27 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 3hso h MET 662 Cb -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3hso h MET 662 CO -0.10 0.27 0.22 0.93 1.06 0.00 0.00 176.91 179.29 3hso h GLU 663 N 0.43 0.73 -0.53 1.72 5.08 -0.71 0.37 114.58 121.67 3hso h GLU 663 Ca 0.19 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3hso h GLU 663 Cb 0.10 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3hso h GLU 663 CO -0.14 0.64 0.23 -0.91 -1.00 0.00 0.00 179.01 177.83 3hso h ASN 664 N 0.66 0.29 -0.37 1.42 2.35 -0.49 -1.12 115.58 118.32 3hso h ASN 664 Ca 0.17 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 3hso h ASN 664 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3hso h ASN 664 CO -0.02 0.20 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.30 3hso h GLU 665 N 0.44 0.87 -0.71 0.81 4.39 -0.05 0.88 114.58 121.21 3hso h GLU 665 Ca 0.24 -0.45 0.04 0.00 0.34 0.00 0.00 59.36 59.53 3hso h GLU 665 Cb 0.22 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 3hso h GLU 665 CO -0.21 1.09 0.44 1.88 -1.16 0.00 0.00 179.01 181.05 3hso h TYR 666 N 0.67 0.82 -0.21 4.33 -1.99 -0.14 0.20 116.97 120.65 3hso h TYR 666 Ca 0.06 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 3hso h TYR 666 Cb 0.92 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 3hso h TYR 666 CO 0.07 0.46 0.00 -0.09 -0.00 0.00 0.00 178.16 178.59 3hso h ARG 667 N 0.85 0.37 0.00 4.88 2.43 -0.69 -2.22 114.38 120.00 3hso h ARG 667 Ca 0.29 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3hso h ARG 667 Cb 0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3hso h ARG 667 CO -0.12 0.56 -1.50 0.00 -1.51 0.00 0.00 179.97 177.39 3hso n ARG 669 N -2.12 2.09 -0.23 0.00 0.63 0.61 -5.03 116.66 112.62 3hso n ARG 669 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3hso n ARG 669 Cb 0.50 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.58 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 1.65 0.74 0.00 5.14 0.00 -0.74 -4.65 105.19 107.34 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 -2.11 -2.75 3.05 -0.02 0.00 -1.15 -0.83 105.19 101.38 3hso n GLY 671 Ca 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 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 2.73 4.30 -0.10 0.00 0.04 -1.26 -4.64 135.00 136.05 3hso s PRO 673 Ca 0.15 2.25 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 3hso s PRO 673 Cb -0.14 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.32 3hso s PRO 673 CO -0.22 -0.36 0.26 0.00 0.04 0.00 0.00 177.00 176.72 3hso s ALA 674 N -0.14 -0.63 -0.57 8.56 0.00 0.28 -4.30 121.76 124.96 3hso s ALA 674 Ca 0.57 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 3hso s ALA 674 Cb -0.41 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.27 3hso s ALA 674 CO 0.44 -0.16 0.66 0.34 0.00 0.00 0.00 175.76 177.03 3hso s ASP 675 N 0.72 6.19 0.25 0.00 -1.08 -0.34 -3.06 116.67 119.35 3hso s ASP 675 Ca -0.05 -1.45 -0.03 0.00 -0.52 0.00 0.00 52.55 50.50 3hso s ASP 675 Cb -0.06 -2.28 0.42 0.00 -1.46 0.00 0.00 42.92 39.54 3hso s ASP 675 CO -0.04 -1.05 1.82 -0.25 0.52 0.00 0.00 175.17 176.17 3hso h TRP 676 N 9.11 0.95 -0.74 -5.34 7.01 -1.89 -0.06 115.95 124.99 3hso h TRP 676 Ca -0.29 0.03 0.13 0.00 2.11 0.00 0.00 58.89 60.87 3hso h TRP 676 Cb 1.09 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.80 3hso h TRP 676 CO 0.81 0.40 0.49 0.28 -2.79 0.00 0.00 178.44 177.63 3hso h VAL 677 N 0.88 0.84 0.00 2.65 2.07 -1.93 -1.93 116.25 118.82 3hso h VAL 677 Ca 0.42 -0.17 -0.29 0.00 0.82 0.00 0.00 66.70 67.49 3hso h VAL 677 Cb 0.36 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3hso h VAL 677 CO -0.24 0.09 -1.90 0.79 0.02 0.00 0.00 177.57 176.33 3hso n TRP 678 N -4.49 0.62 0.08 1.57 7.02 -0.53 -4.47 117.44 117.24 3hso n TRP 678 Ca 0.14 0.22 -0.16 0.00 -1.02 0.00 0.00 57.50 56.68 3hso n TRP 678 Cb 0.47 -1.08 -0.09 0.00 -2.42 0.00 0.00 31.31 28.19 3hso n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3hso h ILE 679 N 0.00 1.39 -2.98 -0.99 1.08 -0.57 -3.44 117.51 111.99 3hso h ILE 679 Ca -0.34 -2.57 -0.54 0.00 -0.39 0.00 0.00 64.86 61.02 3hso h ILE 679 Cb 1.99 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 38.32 3hso h ILE 679 CO 0.05 0.77 0.76 -0.69 -0.69 0.00 0.00 178.15 178.35 3hso s VAL 680 N -3.08 3.74 0.75 1.67 1.01 -0.77 -4.93 120.40 118.78 3hso s VAL 680 Ca -0.06 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.94 3hso s VAL 680 Cb 0.08 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3hso s VAL 680 CO 0.89 0.03 1.18 -2.84 0.00 0.00 0.00 175.10 174.36 3hso s PRO 681 N 1.94 2.05 0.00 2.72 0.02 -1.26 -4.92 135.00 135.56 3hso s PRO 681 Ca 0.62 1.65 0.26 0.00 0.02 0.00 0.00 61.00 63.56 3hso s PRO 681 Cb -0.31 -1.83 1.55 0.00 0.02 0.00 0.00 34.50 33.92 3hso s PRO 681 CO 0.27 -1.88 1.96 -0.35 -0.33 0.00 0.00 177.00 176.67 3hso n PRO 682 N -2.95 0.93 -4.21 5.54 -0.04 -1.26 -4.27 135.00 128.74 3hso n PRO 682 Ca 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 3hso n PRO 682 Cb 0.51 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.00 0.94 -1.18 0.54 0.23 -1.26 -4.93 119.30 111.64 3hso s MET 683 Ca 0.39 -1.29 -0.04 0.00 -1.03 0.00 0.00 55.69 53.72 3hso s MET 683 Cb 0.18 -0.56 0.03 0.00 -1.53 0.00 0.00 34.83 32.95 3hso s MET 683 CO 0.30 0.07 0.23 0.43 -2.03 0.00 0.00 175.02 174.03 3hso n SER 684 N 0.21 -4.05 -0.30 -1.18 7.64 -1.26 -4.87 113.62 109.80 3hso n SER 684 Ca -0.13 -0.06 -0.04 0.00 1.01 0.00 0.00 58.87 59.65 3hso n SER 684 Cb 0.59 -3.39 0.01 0.00 -1.01 0.00 0.00 64.21 60.41 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 -0.48 -0.10 2.00 0.23 0.00 -1.92 -2.22 103.07 100.57 3hso h GLY 685 Ca -0.36 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3hso h GLY 685 CO 0.43 -0.19 0.00 -1.14 0.00 0.00 0.00 176.54 175.65 3hso n SER 686 N -5.44 0.09 -0.55 0.19 3.41 -1.26 -1.95 113.62 108.11 3hso n SER 686 Ca 0.07 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3hso n SER 686 Cb 0.37 -0.53 0.42 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.59 0.14 -3.92 -1.33 -5.35 -0.84 -4.79 119.36 101.68 3hso n ILE 687 Ca 0.06 -0.33 -0.32 0.00 -0.27 0.00 0.00 62.75 61.89 3hso n ILE 687 Cb 0.32 0.45 -0.05 0.00 -1.74 0.00 0.00 39.64 38.62 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 -1.86 5.36 0.33 7.28 -4.23 -0.82 -5.03 115.64 116.67 3hso s THR 688 Ca 0.34 -0.27 0.18 0.00 -1.18 0.00 0.00 61.69 60.76 3hso s THR 688 Cb 0.19 -3.54 0.15 0.00 1.34 0.00 0.00 72.50 70.64 3hso s THR 688 CO 0.29 0.26 1.86 1.55 -0.54 0.00 0.00 174.62 178.04 3hso h PRO 689 N 3.56 0.00 0.00 3.99 0.13 -1.86 -3.08 132.00 134.74 3hso h PRO 689 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3hso h PRO 689 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3hso h PRO 689 CO 0.71 0.31 -0.23 -0.39 -0.23 0.00 0.00 178.00 178.18 3hso h VAL 690 N 0.00 0.91 -0.89 1.56 -1.51 -1.87 -2.41 116.25 112.03 3hso h VAL 690 Ca -0.00 -0.86 0.11 0.00 -1.23 0.00 0.00 66.70 64.72 3hso h VAL 690 Cb 0.64 1.50 -0.07 0.00 -2.13 0.00 0.00 31.29 31.23 3hso h VAL 690 CO 0.04 0.22 0.57 0.15 -1.23 0.00 0.00 177.57 177.33 3hso h PHE 691 N 0.00 0.92 -0.01 5.19 3.04 -1.71 -2.23 116.94 122.14 3hso h PHE 691 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3hso h PHE 691 Cb 0.48 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.70 3hso h PHE 691 CO 0.00 0.40 -0.15 0.72 -2.02 0.00 0.00 178.31 177.26 3hso n HIS 692 N -4.54 0.00 -3.44 0.41 -0.00 -0.91 -4.82 115.22 101.92 3hso n HIS 692 Ca 0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.48 3hso n HIS 692 Cb 0.36 -0.09 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 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 -2.32 3.84 0.30 -0.41 2.00 -0.84 -0.76 119.66 121.46 3hso s GLN 693 Ca 0.30 -0.21 -0.29 0.00 -2.00 0.00 0.00 55.36 53.16 3hso s GLN 693 Cb 0.20 -3.71 -0.10 0.00 0.80 0.00 0.00 33.01 30.20 3hso s GLN 693 CO 0.45 -0.34 1.39 -1.21 -0.50 0.00 0.00 175.29 175.08 3hso s GLU 694 N 1.98 4.28 0.03 1.67 2.02 -0.40 -4.99 118.70 123.28 3hso s GLU 694 Ca 0.12 2.31 0.02 0.00 0.02 0.00 0.00 54.97 57.44 3hso s GLU 694 Cb -0.16 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 3hso s GLU 694 CO 0.11 -0.34 -0.07 -1.64 0.02 0.00 0.00 175.26 173.33 3hso s MET 695 N -1.21 0.51 -0.13 1.61 -1.94 -1.26 -4.63 119.30 112.25 3hso s MET 695 Ca 0.54 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.88 3hso s MET 695 Cb -0.42 -0.33 -0.02 0.00 2.01 0.00 0.00 34.83 36.08 3hso s MET 695 CO 0.50 0.07 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.98 3hso s LEU 696 N -1.25 2.95 -0.21 -0.03 1.43 -1.25 -4.87 118.68 115.45 3hso s LEU 696 Ca -0.07 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3hso s LEU 696 Cb -0.08 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3hso s LEU 696 CO 0.00 0.20 0.04 0.21 0.23 0.00 0.00 176.35 177.04 3hso s ASN 697 N 0.14 5.18 0.20 2.29 2.47 -1.17 -0.56 114.94 123.48 3hso s ASN 697 Ca -0.04 -0.12 -0.16 0.00 0.42 0.00 0.00 52.86 52.96 3hso s ASN 697 Cb -0.14 -1.90 0.02 0.00 -1.45 0.00 0.00 41.25 37.78 3hso s ASN 697 CO 0.04 0.07 0.50 -0.72 -3.72 0.00 0.00 177.10 173.26 3hso s TYR 698 N 1.00 -0.04 -0.27 0.43 1.13 -1.26 -4.97 117.35 113.38 3hso s TYR 698 Ca 0.03 -0.31 -0.08 0.00 -1.41 0.00 0.00 57.07 55.30 3hso s TYR 698 Cb -0.14 0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 41.03 3hso s TYR 698 CO 0.03 -0.91 0.10 0.50 -2.51 0.00 0.00 175.55 172.76 3hso s ARG 699 N -3.89 3.64 0.02 -3.49 3.52 -1.26 -4.84 118.95 112.65 3hso s ARG 699 Ca 0.11 -0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.26 3hso s ARG 699 Cb -0.01 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3hso s ARG 699 CO -0.02 -0.23 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.62 3hso s LEU 700 N 1.64 2.94 0.14 -0.88 1.43 -1.26 -2.92 118.68 119.76 3hso s LEU 700 Ca 0.06 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3hso s LEU 700 Cb -0.16 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3hso s LEU 700 CO 0.05 0.27 0.13 0.42 0.23 0.00 0.00 176.35 177.45 3hso s THR 701 N -0.98 4.53 0.77 5.49 -4.23 -1.26 -4.24 115.64 115.72 3hso s THR 701 Ca 0.16 -0.98 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 3hso s THR 701 Cb -0.11 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.49 3hso s THR 701 CO 0.07 -0.04 1.03 -2.65 -0.54 0.00 0.00 174.62 172.48 3hso n PRO 702 N -0.14 0.35 -3.84 3.99 -0.02 -1.26 -5.00 135.00 129.08 3hso n PRO 702 Ca -0.08 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3hso n PRO 702 Cb 0.54 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 3hso n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hso s SER 703 N -1.84 0.03 -0.10 2.55 1.04 -0.56 -3.87 113.70 110.95 3hso s SER 703 Ca 0.72 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 56.60 3hso s SER 703 Cb -0.32 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 3hso s SER 703 CO 0.51 -0.59 0.40 -0.36 0.98 0.00 0.00 173.24 174.18 3hso s PHE 704 N -2.75 3.55 0.10 5.02 0.08 -1.26 -0.50 117.98 122.22 3hso s PHE 704 Ca -0.04 0.82 0.07 0.00 0.12 0.00 0.00 56.93 57.90 3hso s PHE 704 Cb -0.00 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.00 3hso s PHE 704 CO -0.05 0.32 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.01 3hso s GLU 705 N 0.13 1.02 0.74 0.44 0.41 0.96 -4.95 118.70 117.45 3hso s GLU 705 Ca 0.22 -1.14 -0.11 0.00 -0.41 0.00 0.00 54.97 53.53 3hso s GLU 705 Cb -0.15 -1.10 0.04 0.00 -1.78 0.00 0.00 34.13 31.14 3hso s GLU 705 CO 0.09 0.24 1.08 0.71 -0.49 0.00 0.00 175.26 176.89 3hso s TYR 706 N -1.50 2.72 0.07 1.61 2.02 -1.26 -0.77 117.35 120.23 3hso s TYR 706 Ca 0.05 1.52 -0.18 0.00 -0.37 0.00 0.00 57.07 58.10 3hso s TYR 706 Cb -0.08 -3.02 0.04 0.00 -0.40 0.00 0.00 41.96 38.49 3hso s TYR 706 CO 0.04 -1.63 0.42 1.14 -1.57 0.00 0.00 175.55 173.94 3hso s GLN 707 N -4.81 0.97 0.55 -0.62 -2.07 -1.26 -4.74 119.66 107.68 3hso s GLN 707 Ca 0.61 -0.45 -0.21 0.00 -1.82 0.00 0.00 55.36 53.49 3hso s GLN 707 Cb -0.17 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.14 3hso s GLN 707 CO 0.53 -0.35 1.24 -2.14 -1.32 0.00 0.00 175.29 173.25 3hso s PRO 708 N -2.86 3.22 0.23 9.60 0.02 -1.26 -4.94 135.00 139.01 3hso s PRO 708 Ca -0.03 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.60 3hso s PRO 708 Cb -0.00 -2.14 -0.11 0.00 0.02 0.00 0.00 34.50 32.27 3hso s PRO 708 CO -0.05 -1.03 1.61 -0.51 -0.33 0.00 0.00 177.00 176.68 3hso s ASP 709 N -1.36 6.46 0.54 2.53 1.01 -1.26 -4.89 116.67 119.69 3hso s ASP 709 Ca 0.72 2.81 0.32 0.00 0.71 0.00 0.00 52.55 57.11 3hso s ASP 709 Cb -0.33 -2.61 1.44 0.00 1.01 0.00 0.00 42.92 42.43 3hso s ASP 709 CO 0.37 -0.88 2.03 1.55 0.21 0.00 0.00 175.17 178.45 3hso h PRO 710 N 5.90 0.00 0.00 8.23 0.13 -1.92 -2.16 132.00 142.18 3hso h PRO 710 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3hso h PRO 710 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hso h PRO 710 CO 0.87 0.08 -0.08 0.11 -0.23 0.00 0.00 178.00 178.75 3hso h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.93 0.61 115.95 116.28 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 3hso h TRP 711 CO 0.00 0.08 0.00 -0.91 0.09 0.00 0.00 178.44 177.70 3hso h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.77 -3.37 115.58 112.90 3hso h ASN 712 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hso h ASN 712 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hso h ASN 712 CO 0.01 0.00 -0.52 0.35 -1.65 0.00 0.00 177.43 175.62 3hso n THR 713 N -2.54 0.00 -1.92 2.81 -2.24 -0.79 -5.06 114.28 104.53 3hso n THR 713 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3hso n THR 713 Cb 0.34 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.15 2.80 -0.79 4.78 5.04 0.21 -4.94 115.29 121.25 3hso s HIS 714 Ca 0.00 0.49 -0.20 0.00 -1.54 0.00 0.00 55.06 53.81 3hso s HIS 714 Cb 0.00 -3.95 0.11 0.00 0.04 0.00 0.00 32.58 28.77 3hso s HIS 714 CO 0.00 -3.64 1.01 0.14 -2.34 0.00 0.00 174.74 169.91 3hso s VAL 715 N 1.72 4.60 0.31 0.89 -7.23 -1.26 -4.97 120.40 114.46 3hso s VAL 715 Ca 0.72 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 3hso s VAL 715 Cb -0.43 -4.71 -0.12 0.00 0.56 0.00 0.00 36.38 31.68 3hso s VAL 715 CO 0.32 -1.44 1.41 0.79 -0.31 0.00 0.00 175.10 175.87 3hso n TRP 716 N 6.92 2.45 -0.08 2.82 7.02 -1.26 -4.95 117.44 130.35 3hso n TRP 716 Ca 0.10 0.45 -0.13 0.00 -1.02 0.00 0.00 57.50 56.89 3hso n TRP 716 Cb 0.47 -2.48 -0.14 0.00 -2.42 0.00 0.00 31.31 26.74 3hso n TRP 716 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3hso n LYS 717 N 1.29 0.68 -0.68 -0.99 5.02 -1.26 -5.15 118.16 117.07 3hso n LYS 717 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3hso n LYS 717 Cb 0.35 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3hso n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29