#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3o s PHE 300 N 0.00 3.44 0.49 -0.14 0.40 -1.26 -4.78 117.98 116.13 3b3o s PHE 300 Ca 0.00 -2.98 -0.20 0.00 -0.60 0.00 0.00 56.93 53.15 3b3o s PHE 300 Cb 0.00 -3.04 -0.08 0.00 0.51 0.00 0.00 43.02 40.41 3b3o s PHE 300 CO 0.00 -0.76 1.06 -0.51 0.70 0.00 0.00 175.22 175.71 3b3o s LEU 301 N -0.53 3.84 0.01 -0.37 1.43 -1.07 -4.80 118.68 117.19 3b3o s LEU 301 Ca 0.20 1.98 0.08 0.00 -1.03 0.00 0.00 54.13 55.35 3b3o s LEU 301 Cb -0.18 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.48 3b3o s LEU 301 CO -0.06 -0.85 -0.24 -0.54 0.23 0.00 0.00 176.35 174.90 3b3o s LYS 302 N -3.21 1.76 -0.04 1.70 1.02 -1.26 0.80 119.74 120.51 3b3o s LYS 302 Ca 0.68 -0.93 0.05 0.00 0.02 0.00 0.00 55.97 55.79 3b3o s LYS 302 Cb -0.18 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 3b3o s LYS 302 CO 0.21 0.48 -0.20 0.14 -0.92 0.00 0.00 175.35 175.06 3b3o s VAL 303 N -0.67 1.67 0.10 3.17 -7.23 -0.20 -4.97 120.40 112.27 3b3o s VAL 303 Ca 0.09 -0.86 0.09 0.00 -1.81 0.00 0.00 61.98 59.49 3b3o s VAL 303 Cb -0.09 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3b3o s VAL 303 CO 0.00 0.47 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.33 3b3o s LYS 304 N -0.11 1.82 -0.32 4.82 2.20 -1.26 -0.83 119.74 126.06 3b3o s LYS 304 Ca -0.02 -1.14 -0.10 0.00 -0.36 0.00 0.00 55.97 54.34 3b3o s LYS 304 Cb -0.12 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 3b3o s LYS 304 CO 0.02 0.49 0.18 1.21 -0.36 0.00 0.00 175.35 176.89 3b3o s ASN 305 N -1.93 5.68 0.00 1.43 3.84 0.12 -1.70 114.94 122.38 3b3o s ASN 305 Ca 0.17 -0.52 0.21 0.00 0.21 0.00 0.00 52.86 52.93 3b3o s ASN 305 Cb -0.10 -2.04 1.03 0.00 -0.55 0.00 0.00 41.25 39.58 3b3o s ASN 305 CO 0.08 -0.21 1.67 0.79 -2.79 0.00 0.00 177.10 176.64 3b3o n TRP 306 N 5.01 0.00 -0.05 0.43 7.02 -0.17 0.60 117.44 130.27 3b3o n TRP 306 Ca -0.13 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.27 3b3o n TRP 306 Cb 0.49 -0.33 -0.15 0.00 -2.42 0.00 0.00 31.31 28.91 3b3o n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3b3o n GLU 307 N -1.33 0.66 0.00 -0.99 2.13 -1.26 -4.55 120.64 115.31 3b3o n GLU 307 Ca 0.09 0.11 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3b3o n GLU 307 Cb 0.18 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.25 3b3o n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b3o n THR 308 N -2.83 0.16 -0.72 6.31 -2.24 -1.14 -5.01 114.28 108.80 3b3o n THR 308 Ca -0.23 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3b3o n THR 308 Cb 1.05 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 3b3o n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3b3o n ASP 309 N -0.08 -2.53 -4.73 3.42 8.00 0.20 -4.94 116.55 115.89 3b3o n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3b3o n ASP 309 Cb 0.08 -2.87 -0.03 0.00 -0.02 0.00 0.00 41.12 38.28 3b3o n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3b3o s VAL 310 N -1.05 2.76 -0.11 2.53 1.01 -1.23 -4.71 120.40 119.60 3b3o s VAL 310 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.59 3b3o s VAL 310 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 3b3o s VAL 310 CO 0.00 0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.27 3b3o s VAL 311 N 0.65 2.39 0.14 2.92 1.01 -1.26 -0.70 120.40 125.54 3b3o s VAL 311 Ca 0.65 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3b3o s VAL 311 Cb -0.42 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3b3o s VAL 311 CO 0.36 0.55 -0.18 -0.76 0.00 0.00 0.00 175.10 175.07 3b3o s LEU 312 N 0.35 2.69 -0.12 3.92 1.43 -0.01 -4.96 118.68 121.97 3b3o s LEU 312 Ca -0.16 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3b3o s LEU 312 Cb -0.17 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3b3o s LEU 312 CO 0.08 0.16 -0.04 -0.89 0.23 0.00 0.00 176.35 175.88 3b3o s THR 313 N -1.31 3.90 -0.18 5.49 2.01 -1.26 -1.03 115.64 123.27 3b3o s THR 313 Ca 0.19 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 3b3o s THR 313 Cb -0.10 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3b3o s THR 313 CO 0.11 0.54 -0.06 -0.62 -0.69 0.00 0.00 174.62 173.89 3b3o s ASP 314 N -0.11 4.41 0.00 3.53 -1.08 0.24 -4.59 116.67 119.07 3b3o s ASP 314 Ca 0.02 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 3b3o s ASP 314 Cb -0.13 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 3b3o s ASP 314 CO 0.03 0.09 0.00 0.35 0.52 0.00 0.00 175.17 176.16 3b3o n THR 315 N 4.04 0.00 -0.26 1.71 -2.24 0.07 -2.60 114.28 115.00 3b3o n THR 315 Ca -0.18 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.80 3b3o n THR 315 Cb 0.52 0.15 0.51 0.00 -2.10 0.00 0.00 70.33 69.40 3b3o n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b3o h LEU 316 N 0.00 0.42 -2.16 3.22 5.85 -1.64 0.71 115.31 121.71 3b3o h LEU 316 Ca 0.00 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3b3o h LEU 316 Cb 0.19 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3b3o h LEU 316 CO 0.00 0.15 0.24 1.12 -0.34 0.00 0.00 178.44 179.61 3b3o h HIS 317 N 0.41 0.00 -0.56 1.25 2.07 -1.84 -1.21 115.15 115.27 3b3o h HIS 317 Ca 0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.01 3b3o h HIS 317 Cb 1.23 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.18 3b3o h HIS 317 CO -0.00 0.00 0.33 -0.07 -3.07 0.00 0.00 177.93 175.11 3b3o h LEU 318 N 0.00 0.67 0.00 6.12 3.38 -1.18 -0.22 115.31 124.08 3b3o h LEU 318 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3b3o h LEU 318 Cb 0.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3b3o h LEU 318 CO -0.00 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.35 3b3o n LYS 319 N -4.41 0.53 -1.84 1.13 5.02 -0.46 -4.84 118.16 113.29 3b3o n LYS 319 Ca 0.05 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 3b3o n LYS 319 Cb 0.08 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.64 3b3o n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3b3o s SER 320 N -2.29 5.06 0.00 4.39 0.15 -0.10 -4.96 113.70 115.95 3b3o s SER 320 Ca 0.28 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.55 3b3o s SER 320 Cb 0.16 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3b3o s SER 320 CO 0.31 -1.70 0.00 0.41 1.20 0.00 0.00 173.24 173.45 3b3o n THR 321 N -1.42 0.00 -1.85 6.45 -1.04 -1.21 -5.07 114.28 110.13 3b3o n THR 321 Ca 0.13 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.83 3b3o n THR 321 Cb 0.47 -0.39 0.01 0.00 -1.82 0.00 0.00 70.33 68.61 3b3o n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3b3o s LEU 322 N -3.84 3.24 0.67 -4.42 1.43 -1.25 -5.07 118.68 109.44 3b3o s LEU 322 Ca 0.00 1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 54.47 3b3o s LEU 322 Cb 0.00 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.74 3b3o s LEU 322 CO 0.00 -0.96 1.05 -1.61 0.23 0.00 0.00 176.35 175.06 3b3o s GLU 323 N -5.06 3.03 -0.09 1.70 2.02 -1.26 -4.56 118.70 114.48 3b3o s GLU 323 Ca 0.56 0.45 0.12 0.00 0.02 0.00 0.00 54.97 56.12 3b3o s GLU 323 Cb -0.12 -2.08 -0.17 0.00 0.10 0.00 0.00 34.13 31.86 3b3o s GLU 323 CO 0.52 -0.88 0.13 0.25 0.02 0.00 0.00 175.26 175.31 3b3o n THR 324 N -2.88 0.55 0.00 3.63 -2.24 -1.26 -4.81 114.28 107.27 3b3o n THR 324 Ca 0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3b3o n THR 324 Cb 0.57 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3b3o n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b3o n GLY 325 N 2.06 3.12 3.91 3.38 0.00 -1.26 -4.89 105.19 111.51 3b3o n GLY 325 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3b3o n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3o s THR 327 N -3.00 0.00 -0.24 0.00 -4.23 -0.13 -5.00 115.64 103.05 3b3o s THR 327 Ca 0.53 -1.78 0.26 0.00 -1.18 0.00 0.00 61.69 59.52 3b3o s THR 327 Cb -0.11 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.55 3b3o s THR 327 CO 0.46 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.98 3b3o h GLU 328 N 2.37 0.00 0.00 3.99 3.07 -2.05 -2.83 114.58 119.13 3b3o h GLU 328 Ca -0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 3b3o h GLU 328 Cb 1.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3b3o h GLU 328 CO 0.44 0.00 -2.01 0.72 -1.40 0.00 0.00 179.01 176.75 3b3o n HIS 329 N -2.40 0.01 -3.71 4.33 8.25 -1.26 -4.98 115.22 115.47 3b3o n HIS 329 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 3b3o n HIS 329 Cb 0.16 -0.54 -0.10 0.00 1.12 0.00 0.00 29.99 30.63 3b3o n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3b3o s ILE 330 N -3.45 -0.01 -0.19 1.59 2.07 -1.07 -5.13 121.20 115.01 3b3o s ILE 330 Ca -0.08 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.08 3b3o s ILE 330 Cb 0.13 -0.62 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3b3o s ILE 330 CO 0.90 0.02 0.22 0.00 -1.91 0.00 0.00 174.94 174.17 3b3o n MET 332 N 3.74 2.60 -0.35 0.00 0.00 -1.26 -4.78 117.12 117.07 3b3o n MET 332 Ca -0.13 -2.91 0.37 0.00 0.00 0.00 0.00 57.70 55.02 3b3o n MET 332 Cb 0.52 -1.83 0.74 0.00 0.00 0.00 0.00 33.22 32.65 3b3o n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3b3o h GLY 333 N 1.53 0.00 -2.56 3.03 0.00 -1.93 -0.37 103.07 102.78 3b3o h GLY 333 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3b3o h GLY 333 CO 0.26 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.66 3b3o n SER 334 N -4.01 4.10 -4.70 0.19 3.41 -1.26 -4.87 113.62 106.48 3b3o n SER 334 Ca 0.27 -2.22 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 3b3o n SER 334 Cb 1.35 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.78 3b3o n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b3o s ILE 335 N -1.41 4.97 0.10 -1.33 -1.09 -0.15 -4.97 121.20 117.32 3b3o s ILE 335 Ca 0.45 1.58 -0.26 0.00 -2.23 0.00 0.00 60.65 60.20 3b3o s ILE 335 Cb 0.27 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.93 3b3o s ILE 335 CO 0.26 0.17 1.67 0.24 -1.23 0.00 0.00 174.94 176.05 3b3o h MET 336 N 6.95 -0.36 -3.24 2.79 2.86 -1.91 -3.36 114.93 118.67 3b3o h MET 336 Ca -0.37 0.02 -0.64 0.00 -2.06 0.00 0.00 59.70 56.65 3b3o h MET 336 Cb 1.18 0.08 -0.41 0.00 0.06 0.00 0.00 31.60 32.52 3b3o h MET 336 CO 0.78 -0.24 -0.53 -0.51 1.06 0.00 0.00 176.91 177.46 3b3o s LEU 337 N -10.23 4.75 0.48 1.22 1.43 -1.26 -5.18 118.68 109.89 3b3o s LEU 337 Ca -0.15 -3.49 0.22 0.00 -1.03 0.00 0.00 54.13 49.68 3b3o s LEU 337 Cb 0.07 -1.68 1.20 0.00 0.03 0.00 0.00 46.19 45.81 3b3o s LEU 337 CO 0.65 -0.16 2.00 -0.65 0.23 0.00 0.00 176.35 178.42 3b3o h PRO 338 N 5.94 0.00 -7.07 1.29 0.11 -1.91 -3.54 132.00 126.83 3b3o h PRO 338 Ca 0.06 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.65 3b3o h PRO 338 Cb 0.82 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.02 3b3o h PRO 338 CO 0.72 0.18 0.47 0.54 -0.21 0.00 0.00 178.00 179.71 3b3o s VAL 348 N -4.22 2.87 0.50 3.15 0.11 -1.26 -5.03 120.40 116.52 3b3o s VAL 348 Ca -0.03 0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 59.57 3b3o s VAL 348 Cb 0.14 -3.26 -0.01 0.00 -1.53 0.00 0.00 36.38 31.72 3b3o s VAL 348 CO 0.63 -0.08 0.78 -0.13 -3.33 0.00 0.00 175.10 172.97 3b3o s ARG 349 N -3.12 3.17 0.24 1.54 0.52 -1.26 -5.11 118.95 114.93 3b3o s ARG 349 Ca 0.72 -0.11 0.09 0.00 -0.52 0.00 0.00 55.73 55.90 3b3o s ARG 349 Cb -0.29 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 3b3o s ARG 349 CO 0.33 -0.38 0.03 0.99 0.02 0.00 0.00 175.30 176.29 3b3o s THR 350 N -2.75 3.69 0.38 0.02 2.01 -1.26 -4.97 115.64 112.76 3b3o s THR 350 Ca 0.49 -1.69 0.05 0.00 0.31 0.00 0.00 61.69 60.85 3b3o s THR 350 Cb -0.10 -2.94 0.25 0.00 0.01 0.00 0.00 72.50 69.71 3b3o s THR 350 CO 0.42 -0.30 2.01 0.11 -0.69 0.00 0.00 174.62 176.18 3b3o h LYS 351 N 2.05 0.61 -0.29 4.92 1.57 -1.93 0.67 116.57 124.16 3b3o h LYS 351 Ca -0.46 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.15 3b3o h LYS 351 Cb 1.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3b3o h LYS 351 CO 0.60 0.44 -0.31 -0.44 -0.57 0.00 0.00 179.45 179.17 3b3o h ASP 352 N 0.62 0.62 0.13 0.86 3.45 -1.99 -2.39 116.42 117.71 3b3o h ASP 352 Ca 0.16 -0.24 -0.27 0.00 0.43 0.00 0.00 57.03 57.11 3b3o h ASP 352 Cb 0.00 -0.17 0.03 0.00 -0.56 0.00 0.00 39.33 38.63 3b3o h ASP 352 CO -0.03 0.89 -1.13 1.56 -1.57 0.00 0.00 179.24 178.97 3b3o h GLN 353 N 0.52 0.54 -0.34 3.56 4.20 -1.59 -3.38 115.11 118.62 3b3o h GLN 353 Ca 0.06 -0.75 -0.07 0.00 0.06 0.00 0.00 58.65 57.96 3b3o h GLN 353 Cb 0.79 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3b3o h GLN 353 CO 0.06 1.34 -0.05 1.25 -0.67 0.00 0.00 178.83 180.76 3b3o h LEU 354 N 0.11 0.63 -0.40 1.46 5.85 0.34 -3.28 115.31 120.01 3b3o h LEU 354 Ca -0.18 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.21 3b3o h LEU 354 Cb 1.83 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 3b3o h LEU 354 CO 0.22 0.82 0.25 0.15 -0.34 0.00 0.00 178.44 179.54 3b3o h PHE 355 N 0.42 0.47 -0.86 1.25 3.57 -1.60 -0.10 116.94 120.09 3b3o h PHE 355 Ca 0.09 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.69 3b3o h PHE 355 Cb 0.53 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 3b3o h PHE 355 CO 0.05 0.29 0.51 -1.00 -2.23 0.00 0.00 178.31 175.92 3b3o h PRO 356 N 0.51 0.84 -0.07 6.41 0.13 -1.74 0.87 132.00 138.94 3b3o h PRO 356 Ca 0.15 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3b3o h PRO 356 Cb -0.03 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 30.91 3b3o h PRO 356 CO -0.05 0.55 0.04 -0.07 -0.23 0.00 0.00 178.00 178.24 3b3o h LEU 357 N 0.86 0.09 -0.65 1.56 3.38 -1.46 -0.37 115.31 118.73 3b3o h LEU 357 Ca 0.41 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3b3o h LEU 357 Cb 0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3b3o h LEU 357 CO -0.23 0.14 0.40 0.00 0.09 0.00 0.00 178.44 178.84 3b3o h ALA 358 N 0.96 0.85 -0.09 1.53 0.00 -0.44 -1.24 119.26 120.82 3b3o h ALA 358 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b3o h ALA 358 Cb 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3b3o h ALA 358 CO -0.00 0.16 0.06 -0.22 0.00 0.00 0.00 179.25 179.24 3b3o h LYS 359 N 0.79 0.12 -0.14 0.00 3.64 -0.54 0.24 116.57 120.68 3b3o h LYS 359 Ca 0.26 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3b3o h LYS 359 Cb 0.02 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 3b3o h LYS 359 CO -0.11 0.09 -0.31 1.49 -2.27 0.00 0.00 179.45 178.34 3b3o h GLU 360 N 0.12 -0.37 -0.07 1.90 4.81 -0.64 -0.77 114.58 119.56 3b3o h GLU 360 Ca 0.03 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3b3o h GLU 360 Cb -0.01 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3b3o h GLU 360 CO -0.01 -0.25 -0.15 0.35 -0.73 0.00 0.00 179.01 178.23 3b3o h PHE 361 N -0.38 -0.38 -0.88 0.92 3.57 -0.94 -2.10 116.94 116.75 3b3o h PHE 361 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3b3o h PHE 361 Cb 0.54 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 3b3o h PHE 361 CO -0.41 -0.22 0.58 -0.07 -2.23 0.00 0.00 178.31 175.97 3b3o h LEU 362 N -0.21 1.00 -0.64 0.59 3.38 -0.62 0.11 115.31 118.91 3b3o h LEU 362 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3b3o h LEU 362 Cb 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3b3o h LEU 362 CO -0.19 0.71 0.30 0.44 0.09 0.00 0.00 178.44 179.79 3b3o h ASP 363 N 1.17 0.84 -0.03 -0.43 3.32 -0.88 0.46 116.42 120.88 3b3o h ASP 363 Ca 0.33 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 3b3o h ASP 363 Cb -0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3b3o h ASP 363 CO -0.08 0.75 -0.48 0.06 -1.72 0.00 0.00 179.24 177.76 3b3o h GLN 364 N 0.88 0.59 0.02 3.56 3.07 -0.83 0.15 115.11 122.56 3b3o h GLN 364 Ca 0.22 -0.34 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 3b3o h GLN 364 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.72 3b3o h GLN 364 CO -0.03 0.94 -0.01 -0.92 0.09 0.00 0.00 178.83 178.90 3b3o h TYR 365 N 0.47 -0.02 0.00 0.06 3.20 -0.12 0.20 116.97 120.75 3b3o h TYR 365 Ca 0.02 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3b3o h TYR 365 Cb 1.01 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3b3o h TYR 365 CO 0.04 0.13 -0.28 1.88 -1.64 0.00 0.00 178.16 178.30 3b3o h TYR 366 N -0.18 0.00 -0.46 -3.82 -1.99 -0.02 -1.48 116.97 109.02 3b3o h TYR 366 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 3b3o h TYR 366 Cb 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 3b3o h TYR 366 CO -0.03 0.28 -0.24 1.03 -0.00 0.00 0.00 178.16 179.20 3b3o h SER 367 N 0.00 0.99 0.27 3.88 0.87 -0.25 -0.24 113.55 119.07 3b3o h SER 367 Ca -0.00 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 3b3o h SER 367 Cb 0.53 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3b3o h SER 367 CO 0.04 1.17 -0.16 0.77 -0.53 0.00 0.00 176.83 178.12 3b3o h SER 368 N 0.82 0.00 -0.56 6.23 4.64 0.43 -2.23 113.55 122.88 3b3o h SER 368 Ca 0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3b3o h SER 368 Cb 0.81 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3b3o h SER 368 CO 0.07 0.16 0.07 2.30 -0.87 0.00 0.00 176.83 178.56 3b3o n ILE 369 N -3.99 2.74 -3.69 0.95 -5.35 -0.95 -4.95 119.36 104.13 3b3o n ILE 369 Ca -0.02 -1.57 -0.28 0.00 -0.27 0.00 0.00 62.75 60.61 3b3o n ILE 369 Cb 0.25 -0.30 0.02 0.00 -1.74 0.00 0.00 39.64 37.87 3b3o n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3b3o n LYS 370 N 0.22 -5.08 -2.09 6.28 5.02 -0.84 -4.86 118.16 116.81 3b3o n LYS 370 Ca 0.30 0.62 -0.02 0.00 -2.02 0.00 0.00 58.31 57.19 3b3o n LYS 370 Cb 1.20 -5.47 0.05 0.00 -0.02 0.00 0.00 35.03 30.79 3b3o n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3b3o n ARG 371 N -4.42 1.50 -2.11 1.97 1.74 -0.13 -5.04 116.66 110.17 3b3o n ARG 371 Ca 0.01 -3.15 -0.42 0.00 -0.77 0.00 0.00 57.85 53.52 3b3o n ARG 371 Cb 0.54 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 3b3o n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3b3o s PHE 372 N -2.60 2.80 -0.84 -1.55 5.36 -1.09 -3.07 117.98 116.99 3b3o s PHE 372 Ca 0.34 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.98 3b3o s PHE 372 Cb 0.36 -3.77 -0.01 0.00 -0.34 0.00 0.00 43.02 39.26 3b3o s PHE 372 CO -0.07 -2.90 0.71 0.41 -1.46 0.00 0.00 175.22 171.91 3b3o n GLY 373 N 3.73 -0.24 3.56 13.12 0.00 -1.26 -5.01 105.19 119.08 3b3o n GLY 373 Ca 0.14 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3b3o n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3o s SER 374 N -3.82 3.47 0.19 1.61 1.04 -1.18 -4.95 113.70 110.07 3b3o s SER 374 Ca 0.08 -1.32 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 3b3o s SER 374 Cb -0.01 -0.31 0.16 0.00 0.10 0.00 0.00 66.02 65.96 3b3o s SER 374 CO 0.53 -0.42 1.80 0.50 0.98 0.00 0.00 173.24 176.63 3b3o h LYS 375 N 1.93 0.57 -0.25 4.02 3.64 -1.96 0.45 116.57 124.97 3b3o h LYS 375 Ca -0.43 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 3b3o h LYS 375 Cb 1.24 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 3b3o h LYS 375 CO 0.76 0.38 -0.25 0.00 -2.27 0.00 0.00 179.45 178.06 3b3o h ALA 376 N 1.29 -0.15 0.45 5.00 0.00 -1.96 1.70 119.26 125.60 3b3o h ALA 376 Ca 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3b3o h ALA 376 Cb 0.12 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3b3o h ALA 376 CO -0.15 -0.68 -0.29 1.25 0.00 0.00 0.00 179.25 179.38 3b3o h HIS 377 N -0.26 -0.78 -0.74 0.00 -0.00 -1.50 -0.18 115.15 111.69 3b3o h HIS 377 Ca 0.14 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.66 3b3o h HIS 377 Cb 0.47 0.28 -0.14 0.00 -0.00 0.00 0.00 27.41 28.03 3b3o h HIS 377 CO -0.41 -0.43 -0.08 0.52 -0.00 0.00 0.00 177.93 177.54 3b3o h MET 378 N -0.70 0.05 0.51 5.26 2.07 0.28 -0.64 114.93 121.77 3b3o h MET 378 Ca -0.06 -0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 3b3o h MET 378 Cb 0.56 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 3b3o h MET 378 CO 0.05 0.03 -0.43 -0.44 1.07 0.00 0.00 176.91 177.20 3b3o h ASP 379 N 0.05 -1.14 -0.73 1.22 3.45 0.27 -2.09 116.42 117.46 3b3o h ASP 379 Ca 0.39 0.09 0.14 0.00 0.43 0.00 0.00 57.03 58.07 3b3o h ASP 379 Cb 0.65 0.36 -0.09 0.00 -0.56 0.00 0.00 39.33 39.69 3b3o h ASP 379 CO -0.71 -0.61 0.27 -0.09 -1.57 0.00 0.00 179.24 176.54 3b3o h ARG 380 N -0.93 0.41 -0.35 3.56 9.65 0.07 0.54 114.38 127.33 3b3o h ARG 380 Ca -0.06 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3b3o h ARG 380 Cb 0.79 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.23 3b3o h ARG 380 CO -0.02 0.27 0.05 1.25 2.80 0.00 0.00 179.97 184.32 3b3o h LEU 381 N 0.42 -0.04 -0.36 3.80 5.85 -0.95 0.12 115.31 124.14 3b3o h LEU 381 Ca 0.40 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 3b3o h LEU 381 Cb 0.59 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3b3o h LEU 381 CO -0.40 0.01 0.20 -0.08 -0.34 0.00 0.00 178.44 177.84 3b3o h GLU 382 N 0.16 0.49 -0.22 1.25 4.57 -0.41 0.37 114.58 120.79 3b3o h GLU 382 Ca 0.17 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3b3o h GLU 382 Cb 0.21 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3b3o h GLU 382 CO -0.24 0.40 0.04 1.49 -1.18 0.00 0.00 179.01 179.52 3b3o h GLU 383 N 0.46 0.13 -0.52 1.92 4.81 -0.35 0.62 114.58 121.65 3b3o h GLU 383 Ca 0.13 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3b3o h GLU 383 Cb 0.04 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3b3o h GLU 383 CO -0.02 0.09 -0.05 0.28 -0.73 0.00 0.00 179.01 178.57 3b3o h VAL 384 N 0.13 1.26 -0.00 0.32 2.07 -0.86 0.21 116.25 119.37 3b3o h VAL 384 Ca 0.10 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3b3o h VAL 384 Cb 0.10 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3b3o h VAL 384 CO -0.13 0.40 -0.07 -1.13 0.02 0.00 0.00 177.57 176.66 3b3o h ASN 385 N 0.83 -0.21 -0.58 0.57 -0.73 0.81 0.16 115.58 116.43 3b3o h ASN 385 Ca 0.15 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 3b3o h ASN 385 Cb 0.56 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 3b3o h ASN 385 CO 0.03 -0.11 0.23 0.11 -0.37 0.00 0.00 177.43 177.33 3b3o h LYS 386 N -0.13 0.87 -0.64 6.67 1.57 0.40 -2.23 116.57 123.09 3b3o h LYS 386 Ca 0.03 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3b3o h LYS 386 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3b3o h LYS 386 CO -0.08 0.74 0.39 1.49 -0.57 0.00 0.00 179.45 181.42 3b3o h GLU 387 N 0.80 0.87 0.01 3.15 4.81 -0.55 -0.62 114.58 123.04 3b3o h GLU 387 Ca 0.19 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3b3o h GLU 387 Cb 0.20 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3b3o h GLU 387 CO -0.02 0.62 -0.00 0.82 -0.73 0.00 0.00 179.01 179.70 3b3o h ILE 388 N 0.87 1.15 -0.99 2.32 2.04 -0.54 1.66 117.51 124.03 3b3o h ILE 388 Ca 0.23 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.68 3b3o h ILE 388 Cb -0.03 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 3b3o h ILE 388 CO -0.04 0.12 0.63 -0.08 0.00 0.00 0.00 178.15 178.78 3b3o h GLU 389 N -0.22 1.09 0.05 2.37 4.22 -1.27 1.08 114.58 121.90 3b3o h GLU 389 Ca -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.37 3b3o h GLU 389 Cb 0.21 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3b3o h GLU 389 CO 0.00 0.72 -0.02 1.03 -2.18 0.00 0.00 179.01 178.56 3b3o h SER 390 N 1.13 -0.05 -0.21 1.04 0.87 -0.85 -3.38 113.55 112.10 3b3o h SER 390 Ca 0.44 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3b3o h SER 390 Cb 0.21 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3b3o h SER 390 CO -0.19 0.66 0.00 0.35 -0.53 0.00 0.00 176.83 177.12 3b3o n THR 391 N -4.76 0.26 -1.82 2.23 -2.24 0.57 -4.93 114.28 103.59 3b3o n THR 391 Ca -0.06 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.06 3b3o n THR 391 Cb 0.27 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 3b3o n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3b3o n SER 392 N 0.82 -4.69 0.00 3.42 3.41 0.37 -4.80 113.62 112.16 3b3o n SER 392 Ca 0.17 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3b3o n SER 392 Cb 0.46 -4.12 0.00 0.00 -0.26 0.00 0.00 64.21 60.29 3b3o n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3b3o n THR 393 N -2.69 0.00 -3.83 6.66 5.66 -1.22 -4.83 114.28 114.03 3b3o n THR 393 Ca -0.18 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.76 3b3o n THR 393 Cb 0.59 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.38 3b3o n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3b3o s TYR 394 N -2.99 0.01 0.00 1.09 -0.85 -1.26 -2.99 117.35 110.37 3b3o s TYR 394 Ca 0.00 -0.53 0.08 0.00 -0.52 0.00 0.00 57.07 56.10 3b3o s TYR 394 Cb 0.00 0.75 -0.02 0.00 0.38 0.00 0.00 41.96 43.07 3b3o s TYR 394 CO 0.00 -1.24 -0.24 -0.65 -1.52 0.00 0.00 175.55 171.90 3b3o s GLN 395 N -2.73 1.81 0.31 -3.49 -1.52 -1.26 -5.06 119.66 107.73 3b3o s GLN 395 Ca 0.16 -0.92 -0.20 0.00 -1.95 0.00 0.00 55.36 52.45 3b3o s GLN 395 Cb -0.04 -1.83 -0.09 0.00 -0.22 0.00 0.00 33.01 30.83 3b3o s GLN 395 CO 0.08 0.49 0.82 -0.51 -0.25 0.00 0.00 175.29 175.91 3b3o s LEU 396 N -0.79 4.18 0.41 2.90 1.43 -1.26 -5.05 118.68 120.50 3b3o s LEU 396 Ca 0.09 1.51 -0.23 0.00 -1.03 0.00 0.00 54.13 54.48 3b3o s LEU 396 Cb -0.09 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 3b3o s LEU 396 CO 0.00 -0.13 1.02 -0.54 0.23 0.00 0.00 176.35 176.93 3b3o s LYS 397 N -2.52 4.14 0.23 1.70 -0.14 -1.26 -4.81 119.74 117.08 3b3o s LYS 397 Ca 0.51 1.40 -0.13 0.00 -1.36 0.00 0.00 55.97 56.40 3b3o s LYS 397 Cb -0.14 -2.42 0.29 0.00 -1.68 0.00 0.00 37.83 33.88 3b3o s LYS 397 CO 0.19 -0.14 1.60 -0.44 -0.76 0.00 0.00 175.35 175.80 3b3o h ASP 398 N 2.29 -0.74 -0.97 2.83 3.32 -1.99 0.64 116.42 121.80 3b3o h ASP 398 Ca -0.48 0.22 0.12 0.00 0.02 0.00 0.00 57.03 56.91 3b3o h ASP 398 Cb 1.21 0.47 -0.08 0.00 0.22 0.00 0.00 39.33 41.15 3b3o h ASP 398 CO 0.62 -0.25 0.62 0.71 -1.72 0.00 0.00 179.24 179.21 3b3o h THR 399 N -0.01 0.91 -0.59 0.35 1.35 -2.00 -1.07 112.91 111.85 3b3o h THR 399 Ca 0.34 -0.32 -0.10 0.00 -0.55 0.00 0.00 66.41 65.78 3b3o h THR 399 Cb 0.54 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 3b3o h THR 399 CO -0.76 0.17 -0.03 -0.33 -0.25 0.00 0.00 175.52 174.32 3b3o h GLU 400 N 0.93 1.07 0.30 4.72 5.08 -0.13 -0.77 114.58 125.78 3b3o h GLU 400 Ca 0.48 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3b3o h GLU 400 Cb 0.52 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3b3o h GLU 400 CO -0.25 1.06 -0.14 1.25 -1.00 0.00 0.00 179.01 179.93 3b3o h LEU 401 N 0.97 -0.34 0.05 1.33 5.85 -0.02 0.40 115.31 123.55 3b3o h LEU 401 Ca 0.16 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3b3o h LEU 401 Cb 0.60 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3b3o h LEU 401 CO 0.04 -0.19 -0.12 0.40 -0.34 0.00 0.00 178.44 178.22 3b3o h ILE 402 N -0.47 0.70 -0.86 4.05 2.04 -1.19 -0.17 117.51 121.61 3b3o h ILE 402 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3b3o h ILE 402 Cb 0.35 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3b3o h ILE 402 CO 0.07 0.00 0.55 0.22 0.00 0.00 0.00 178.15 178.98 3b3o h TYR 403 N -0.24 1.02 -0.50 1.37 3.20 -1.07 -1.25 116.97 119.50 3b3o h TYR 403 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3b3o h TYR 403 Cb 0.26 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3b3o h TYR 403 CO -0.16 0.55 0.24 0.78 -1.64 0.00 0.00 178.16 177.93 3b3o h GLY 404 N 1.03 0.77 0.97 1.82 0.00 0.39 -1.84 103.07 106.21 3b3o h GLY 404 Ca 0.36 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3b3o h GLY 404 CO -0.14 0.36 -0.15 0.00 0.00 0.00 0.00 176.54 176.61 3b3o h ALA 405 N 1.08 0.51 -0.91 3.60 0.00 -0.77 -1.31 119.26 121.46 3b3o h ALA 405 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3b3o h ALA 405 Cb 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3b3o h ALA 405 CO -0.02 0.42 0.54 0.87 0.00 0.00 0.00 179.25 181.06 3b3o h LYS 406 N 0.53 1.24 -0.06 0.00 1.57 -1.13 -2.66 116.57 116.05 3b3o h LYS 406 Ca 0.08 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3b3o h LYS 406 Cb 0.69 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3b3o h LYS 406 CO 0.05 0.87 -0.66 0.45 -0.57 0.00 0.00 179.45 179.59 3b3o h HIS 407 N 1.26 0.35 -0.57 -1.35 3.86 -1.16 -0.33 115.15 117.22 3b3o h HIS 407 Ca 0.33 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 3b3o h HIS 407 Cb -0.04 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 3b3o h HIS 407 CO 0.01 0.85 0.26 0.00 0.86 0.00 0.00 177.93 179.91 3b3o h ALA 408 N 1.12 1.40 -0.09 2.45 0.00 -0.94 0.26 119.26 123.45 3b3o h ALA 408 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3b3o h ALA 408 Cb 1.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3b3o h ALA 408 CO 0.10 0.47 -0.04 2.35 0.00 0.00 0.00 179.25 182.14 3b3o h TRP 409 N 0.80 0.22 -0.77 0.00 7.01 -1.21 -2.08 115.95 119.92 3b3o h TRP 409 Ca 0.20 -0.05 0.13 0.00 2.11 0.00 0.00 58.89 61.28 3b3o h TRP 409 Cb 0.10 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.05 3b3o h TRP 409 CO 0.01 0.53 0.51 -0.09 -2.79 0.00 0.00 178.44 176.61 3b3o h ARG 410 N -0.16 0.50 -0.01 2.65 2.43 -0.29 -0.81 114.38 118.70 3b3o h ARG 410 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3b3o h ARG 410 Cb 0.47 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3b3o h ARG 410 CO 0.01 0.33 -0.08 0.09 -1.51 0.00 0.00 179.97 178.82 3b3o n ASN 411 N -4.50 1.19 -4.56 -3.80 3.02 0.85 -4.81 115.26 102.65 3b3o n ASN 411 Ca 0.14 -1.23 -0.32 0.00 -0.03 0.00 0.00 54.58 53.14 3b3o n ASN 411 Cb 0.47 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 3b3o n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b3o s ALA 412 N -2.17 2.00 0.66 5.41 0.00 -0.31 -4.72 121.76 122.63 3b3o s ALA 412 Ca 0.34 -1.42 0.43 0.00 0.00 0.00 0.00 51.96 51.31 3b3o s ALA 412 Cb 0.21 -4.48 2.37 0.00 0.00 0.00 0.00 23.12 21.22 3b3o s ALA 412 CO 0.40 -4.33 2.36 0.66 0.00 0.00 0.00 175.76 174.85 3b3o h SER 413 N 11.82 0.00 -0.19 0.00 4.64 -1.88 -1.26 113.55 126.69 3b3o h SER 413 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3b3o h SER 413 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3b3o h SER 413 CO 1.25 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.75 3b3o n ARG 414 N -3.17 1.86 -3.71 4.77 1.74 -1.26 -0.41 116.66 116.49 3b3o n ARG 414 Ca -0.03 -1.29 -0.37 0.00 -0.77 0.00 0.00 57.85 55.39 3b3o n ARG 414 Cb 0.08 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 3b3o n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b3o h VAL 416 N 5.45 0.00 -0.36 0.00 3.04 -1.89 -3.30 116.25 119.19 3b3o h VAL 416 Ca -0.37 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 3b3o h VAL 416 Cb 1.18 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3b3o h VAL 416 CO 0.57 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.74 3b3o n GLY 417 N 1.24 2.27 0.01 3.17 0.00 -1.26 -4.40 105.19 106.21 3b3o n GLY 417 Ca 0.05 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.56 3b3o n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3o n ARG 418 N 0.42 0.01 0.22 1.61 1.74 -1.25 -2.33 116.66 117.09 3b3o n ARG 418 Ca 0.17 0.37 0.15 0.00 -0.77 0.00 0.00 57.85 57.77 3b3o n ARG 418 Cb 0.78 -1.52 0.79 0.00 -1.02 0.00 0.00 32.46 31.49 3b3o n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3b3o h ILE 419 N 0.00 0.00 -0.20 0.55 2.10 -1.88 0.30 117.51 118.37 3b3o h ILE 419 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 3b3o h ILE 419 Cb 0.13 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 3b3o h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3b3o n GLN 420 N -2.56 2.03 -0.34 2.19 1.13 -0.98 -4.65 117.38 114.21 3b3o n GLN 420 Ca -0.02 -1.54 0.21 0.00 -1.94 0.00 0.00 57.00 53.71 3b3o n GLN 420 Cb 0.07 -1.45 0.45 0.00 0.11 0.00 0.00 30.24 29.43 3b3o n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3b3o h TRP 421 N 3.21 0.84 0.00 1.08 5.08 -0.60 -0.80 115.95 124.76 3b3o h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3b3o h TRP 421 Cb 0.70 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 3b3o h TRP 421 CO 0.13 0.05 -0.01 -1.13 -1.28 0.00 0.00 178.44 176.19 3b3o n SER 422 N -4.77 0.04 -4.25 0.11 3.41 -1.26 -4.25 113.62 102.64 3b3o n SER 422 Ca 0.27 0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 58.94 3b3o n SER 422 Cb 0.83 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 3b3o n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3b3o s LYS 423 N -3.00 3.84 -0.06 4.33 1.02 -0.31 -4.98 119.74 120.58 3b3o s LYS 423 Ca 0.14 -3.21 -0.01 0.00 0.02 0.00 0.00 55.97 52.90 3b3o s LYS 423 Cb 0.19 -4.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.19 3b3o s LYS 423 CO 0.54 -1.25 0.01 -1.17 -0.92 0.00 0.00 175.35 172.55 3b3o s LEU 424 N -1.24 0.59 -0.20 3.17 2.96 -1.26 -4.59 118.68 118.11 3b3o s LEU 424 Ca 0.29 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 3b3o s LEU 424 Cb -0.09 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.21 3b3o s LEU 424 CO -0.10 -0.19 1.05 -1.58 -1.32 0.00 0.00 176.35 174.21 3b3o s GLN 425 N 1.90 4.29 -0.24 1.98 2.00 -0.77 -4.97 119.66 123.85 3b3o s GLN 425 Ca 0.04 1.39 -0.08 0.00 -2.00 0.00 0.00 55.36 54.71 3b3o s GLN 425 Cb -0.12 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 30.02 3b3o s GLN 425 CO -0.05 -0.58 0.09 0.08 -0.50 0.00 0.00 175.29 174.33 3b3o s VAL 426 N 3.00 4.51 -0.34 1.34 1.01 -1.26 -1.72 120.40 126.93 3b3o s VAL 426 Ca 0.46 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 3b3o s VAL 426 Cb -0.16 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3b3o s VAL 426 CO 0.09 0.34 0.19 -0.36 0.00 0.00 0.00 175.10 175.36 3b3o s PHE 427 N 1.47 3.21 -0.75 5.22 0.08 0.18 -5.00 117.98 122.40 3b3o s PHE 427 Ca 0.06 -0.72 -0.26 0.00 0.12 0.00 0.00 56.93 56.13 3b3o s PHE 427 Cb -0.15 -2.41 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 3b3o s PHE 427 CO 0.04 -0.54 1.25 0.34 -0.10 0.00 0.00 175.22 176.22 3b3o s ASP 428 N 1.60 6.18 -0.40 1.36 3.68 -1.26 -0.58 116.67 127.25 3b3o s ASP 428 Ca 0.04 -0.58 0.05 0.00 2.13 0.00 0.00 52.55 54.19 3b3o s ASP 428 Cb -0.18 -2.54 0.61 0.00 -1.45 0.00 0.00 42.92 39.35 3b3o s ASP 428 CO 0.07 -1.77 1.76 0.00 0.13 0.00 0.00 175.17 175.36 3b3o n ALA 429 N 9.13 5.18 0.41 3.66 0.00 0.16 -4.64 120.51 134.42 3b3o n ALA 429 Ca 0.04 -3.01 0.10 0.00 0.00 0.00 0.00 53.44 50.57 3b3o n ALA 429 Cb 0.49 -1.20 0.42 0.00 0.00 0.00 0.00 19.45 19.16 3b3o n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b3o n ARG 430 N -1.13 0.12 -0.12 0.00 1.74 -1.06 -2.17 116.66 114.02 3b3o n ARG 430 Ca 0.51 0.38 0.10 0.00 -0.77 0.00 0.00 57.85 58.07 3b3o n ARG 430 Cb 1.43 -1.74 0.31 0.00 -1.02 0.00 0.00 32.46 31.43 3b3o n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3b3o n ASP 431 N -1.97 2.14 -4.76 0.55 3.85 -1.26 -4.47 116.55 110.62 3b3o n ASP 431 Ca 0.02 -1.82 -0.34 0.00 -0.71 0.00 0.00 54.79 51.95 3b3o n ASP 431 Cb 0.19 -0.16 0.05 0.00 -1.35 0.00 0.00 41.12 39.85 3b3o n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3b3o n THR 433 N -2.27 0.00 -4.20 0.00 -2.24 -1.26 -4.85 114.28 99.46 3b3o n THR 433 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 3b3o n THR 433 Cb 0.51 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.11 3b3o n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b3o s THR 434 N 0.00 0.06 0.27 4.28 -4.23 -1.26 -4.67 115.64 110.10 3b3o s THR 434 Ca 0.00 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3b3o s THR 434 Cb 0.00 -2.41 0.12 0.00 1.34 0.00 0.00 72.50 71.55 3b3o s THR 434 CO 0.00 -0.10 1.77 0.00 -0.54 0.00 0.00 174.62 175.75 3b3o h ALA 435 N 2.66 1.14 -0.43 3.99 0.00 -1.91 0.35 119.26 125.06 3b3o h ALA 435 Ca -0.36 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3b3o h ALA 435 Cb 1.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3b3o h ALA 435 CO 0.55 0.55 -0.11 0.45 0.00 0.00 0.00 179.25 180.69 3b3o h HIS 436 N 0.70 0.85 -0.33 0.00 -0.00 -1.96 0.18 115.15 114.58 3b3o h HIS 436 Ca 0.14 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 3b3o h HIS 436 Cb 0.44 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 3b3o h HIS 436 CO 0.02 0.84 0.11 0.78 -0.00 0.00 0.00 177.93 179.69 3b3o h GLY 437 N 0.97 0.55 1.01 2.45 0.00 -1.77 -0.10 103.07 106.18 3b3o h GLY 437 Ca 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3b3o h GLY 437 CO 0.04 0.30 0.46 -0.33 0.00 0.00 0.00 176.54 177.01 3b3o h MET 438 N 0.38 1.04 -0.78 4.80 0.00 -0.62 -0.75 114.93 118.99 3b3o h MET 438 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 59.70 59.74 3b3o h MET 438 Cb 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 31.60 31.57 3b3o h MET 438 CO -0.00 0.73 0.50 0.35 0.00 0.00 0.00 176.91 178.48 3b3o h PHE 439 N 1.04 0.93 0.18 -0.22 3.04 -0.16 0.06 116.94 121.82 3b3o h PHE 439 Ca 0.27 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 3b3o h PHE 439 Cb -0.04 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.16 3b3o h PHE 439 CO -0.01 0.54 -0.09 -0.97 -2.02 0.00 0.00 178.31 175.76 3b3o h ASN 440 N 0.97 -0.21 -0.70 0.41 -1.24 0.02 -0.82 115.58 114.02 3b3o h ASN 440 Ca 0.31 -0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.33 3b3o h ASN 440 Cb 0.00 0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.05 3b3o h ASN 440 CO -0.11 -0.07 0.38 1.88 -1.29 0.00 0.00 177.43 178.22 3b3o h TYR 441 N -0.33 0.70 -0.57 0.67 -1.99 -0.89 -1.56 116.97 113.00 3b3o h TYR 441 Ca -0.03 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3b3o h TYR 441 Cb 0.25 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 3b3o h TYR 441 CO -0.04 0.32 0.03 0.82 -0.00 0.00 0.00 178.16 179.28 3b3o h ILE 442 N 0.69 1.26 -0.60 -2.88 2.04 -0.69 0.06 117.51 117.38 3b3o h ILE 442 Ca 0.32 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3b3o h ILE 442 Cb 0.23 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3b3o h ILE 442 CO -0.20 0.39 0.18 0.00 0.00 0.00 0.00 178.15 178.51 3b3o h ASN 444 N 0.86 1.05 0.44 0.00 2.35 -0.80 -0.71 115.58 118.77 3b3o h ASN 444 Ca 0.19 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3b3o h ASN 444 Cb 0.30 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3b3o h ASN 444 CO -0.00 0.88 -0.21 -0.74 -1.65 0.00 0.00 177.43 175.70 3b3o h HIS 445 N 1.16 -0.55 -0.66 1.19 2.76 -0.56 -0.37 115.15 118.11 3b3o h HIS 445 Ca 0.28 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.55 3b3o h HIS 445 Cb 0.10 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 29.16 3b3o h HIS 445 CO 0.01 -0.27 0.24 0.28 -1.30 0.00 0.00 177.93 176.89 3b3o h VAL 446 N -0.73 0.71 -0.41 5.26 2.07 -0.80 0.11 116.25 122.47 3b3o h VAL 446 Ca -0.06 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3b3o h VAL 446 Cb 0.52 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3b3o h VAL 446 CO 0.10 0.07 -0.05 0.50 0.02 0.00 0.00 177.57 178.21 3b3o h LYS 447 N 0.40 0.76 -0.35 1.57 3.64 -1.02 -0.61 116.57 120.97 3b3o h LYS 447 Ca 0.34 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3b3o h LYS 447 Cb 0.47 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3b3o h LYS 447 CO -0.35 0.87 0.14 -0.92 -2.27 0.00 0.00 179.45 176.91 3b3o h TYR 448 N 0.58 0.52 -0.43 1.91 3.20 -0.33 -2.41 116.97 120.02 3b3o h TYR 448 Ca 0.11 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 3b3o h TYR 448 Cb 0.56 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3b3o h TYR 448 CO 0.04 0.48 -0.23 0.00 -1.64 0.00 0.00 178.16 176.82 3b3o h ALA 449 N 0.99 0.61 -0.27 1.82 0.00 -0.78 -3.26 119.26 118.37 3b3o h ALA 449 Ca 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3b3o h ALA 449 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3b3o h ALA 449 CO -0.01 0.60 0.09 1.15 0.00 0.00 0.00 179.25 181.07 3b3o h THR 450 N 0.74 1.20 -6.84 0.00 2.02 -1.08 0.51 112.91 109.45 3b3o h THR 450 Ca 0.09 -0.62 -0.57 0.00 0.77 0.00 0.00 66.41 66.08 3b3o h THR 450 Cb 0.80 1.10 -0.16 0.00 -1.74 0.00 0.00 68.15 68.16 3b3o h THR 450 CO 0.07 0.21 -0.92 -3.20 0.37 0.00 0.00 175.52 172.04 3b3o n ASN 451 N -4.73 -0.02 -3.82 4.18 5.15 -0.91 -0.62 115.26 114.49 3b3o n ASN 451 Ca -0.03 -1.15 -0.29 0.00 -0.60 0.00 0.00 54.58 52.51 3b3o n ASN 451 Cb 0.16 -2.24 0.02 0.00 -0.53 0.00 0.00 39.78 37.19 3b3o n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3b3o n LYS 452 N -4.47 -5.31 0.00 1.20 5.02 -1.26 -2.01 118.16 111.33 3b3o n LYS 452 Ca -0.26 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 3b3o n LYS 452 Cb 0.66 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 3b3o n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b3o n GLY 453 N -1.64 3.18 3.18 0.72 0.00 0.21 -4.94 105.19 105.91 3b3o n GLY 453 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3b3o n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b3o n ASN 454 N 0.05 5.18 -4.63 1.61 4.05 -0.85 -0.48 115.26 120.19 3b3o n ASN 454 Ca 0.00 -3.05 -0.43 0.00 0.45 0.00 0.00 54.58 51.56 3b3o n ASN 454 Cb 0.00 -1.52 -0.00 0.00 1.23 0.00 0.00 39.78 39.49 3b3o n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3b3o n LEU 455 N 4.75 2.60 -3.99 1.20 4.77 -1.23 -4.51 117.00 120.59 3b3o n LEU 455 Ca 0.38 1.12 -0.22 0.00 -0.03 0.00 0.00 56.01 57.26 3b3o n LEU 455 Cb 0.40 -1.37 -0.16 0.00 -2.33 0.00 0.00 43.42 39.96 3b3o n LEU 455 CO 0.71 -1.21 -0.44 -0.13 -1.33 0.00 0.00 177.39 174.99 3b3o s ARG 456 N -1.85 1.21 0.32 3.23 0.52 0.17 -4.99 118.95 117.57 3b3o s ARG 456 Ca 0.60 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 3b3o s ARG 456 Cb -0.60 -1.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.68 3b3o s ARG 456 CO 0.59 0.05 1.38 -1.12 0.02 0.00 0.00 175.30 176.22 3b3o s SER 457 N 0.50 6.65 0.17 0.23 0.01 -1.26 -4.41 113.70 115.59 3b3o s SER 457 Ca -0.09 2.77 -0.22 0.00 1.31 0.00 0.00 55.95 59.72 3b3o s SER 457 Cb -0.12 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.52 3b3o s SER 457 CO 0.02 -0.65 0.59 0.00 0.41 0.00 0.00 173.24 173.61 3b3o s ALA 458 N -0.88 -1.46 -0.07 1.44 0.00 -0.61 -1.85 121.76 118.34 3b3o s ALA 458 Ca 0.52 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 3b3o s ALA 458 Cb -0.42 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3b3o s ALA 458 CO 0.53 -0.79 0.18 -1.50 0.00 0.00 0.00 175.76 174.19 3b3o s ILE 459 N -3.78 0.00 -0.16 0.00 2.07 -0.70 0.19 121.20 118.82 3b3o s ILE 459 Ca 0.03 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 3b3o s ILE 459 Cb -0.01 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.31 3b3o s ILE 459 CO -0.10 -0.00 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.88 3b3o s THR 460 N 0.10 2.57 -0.37 4.00 2.01 -0.40 -0.64 115.64 122.90 3b3o s THR 460 Ca -0.00 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 3b3o s THR 460 Cb -0.01 -2.08 0.06 0.00 0.01 0.00 0.00 72.50 70.47 3b3o s THR 460 CO 0.00 0.52 0.16 -0.63 -0.69 0.00 0.00 174.62 173.98 3b3o s ILE 461 N 0.87 3.88 0.87 1.82 1.01 0.25 -3.16 121.20 126.74 3b3o s ILE 461 Ca -0.04 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 3b3o s ILE 461 Cb -0.15 -3.29 0.12 0.00 0.01 0.00 0.00 42.46 39.15 3b3o s ILE 461 CO -0.01 -0.33 1.20 -0.36 0.00 0.00 0.00 174.94 175.44 3b3o s PHE 462 N 1.39 2.52 0.31 3.97 0.08 -0.80 -0.66 117.98 124.79 3b3o s PHE 462 Ca 0.01 0.68 -0.28 0.00 0.12 0.00 0.00 56.93 57.46 3b3o s PHE 462 Cb -0.21 -3.60 -0.13 0.00 -0.57 0.00 0.00 43.02 38.51 3b3o s PHE 462 CO 0.02 -2.13 1.12 -2.30 -0.10 0.00 0.00 175.22 171.83 3b3o n PRO 463 N -3.54 1.67 -1.25 0.24 -0.02 -1.25 -4.68 135.00 126.16 3b3o n PRO 463 Ca 0.09 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 3b3o n PRO 463 Cb 0.60 -2.04 0.13 0.00 -0.02 0.00 0.00 33.50 32.17 3b3o n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3b3o s GLN 464 N -1.69 1.49 0.52 -0.52 -2.07 -1.26 -4.61 119.66 111.52 3b3o s GLN 464 Ca 0.57 0.85 -0.21 0.00 -1.82 0.00 0.00 55.36 54.75 3b3o s GLN 464 Cb -0.65 -1.83 -0.06 0.00 -1.09 0.00 0.00 33.01 29.38 3b3o s GLN 464 CO 0.61 -2.09 1.19 0.50 -1.32 0.00 0.00 175.29 174.18 3b3o s ARG 465 N -4.95 3.43 0.00 9.60 3.52 0.14 -4.92 118.95 125.77 3b3o s ARG 465 Ca 0.63 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 3b3o s ARG 465 Cb -0.17 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3b3o s ARG 465 CO 0.56 -0.83 0.00 0.25 -0.81 0.00 0.00 175.30 174.48 3b3o n THR 466 N -0.96 0.00 -0.10 4.11 -2.24 -1.26 -4.79 114.28 109.05 3b3o n THR 466 Ca 0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 3b3o n THR 466 Cb 0.49 -0.03 0.29 0.00 -2.10 0.00 0.00 70.33 68.98 3b3o n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3b3o n ASP 467 N -0.07 3.56 0.00 3.42 5.75 -1.26 -4.90 116.55 123.05 3b3o n ASP 467 Ca 0.00 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3b3o n ASP 467 Cb 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3b3o n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b3o n GLY 468 N 1.48 1.35 0.80 6.12 0.00 -1.26 -4.67 105.19 109.00 3b3o n GLY 468 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3b3o n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b3o n LYS 469 N -2.00 1.92 -2.85 1.61 5.02 -1.26 -4.42 118.16 116.19 3b3o n LYS 469 Ca 0.00 -1.65 -0.22 0.00 -2.02 0.00 0.00 58.31 54.43 3b3o n LYS 469 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 3b3o n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3b3o n HIS 470 N 0.99 2.44 -3.37 2.13 8.25 -1.26 -4.42 115.22 119.99 3b3o n HIS 470 Ca 0.12 -3.54 -0.38 0.00 -0.26 0.00 0.00 57.72 53.66 3b3o n HIS 470 Cb 0.53 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 3b3o n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b3o s ASP 471 N -3.17 6.96 -0.09 0.41 1.01 -1.26 -4.28 116.67 116.25 3b3o s ASP 471 Ca 0.43 1.14 -0.15 0.00 0.71 0.00 0.00 52.55 54.67 3b3o s ASP 471 Cb 0.36 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.92 3b3o s ASP 471 CO -0.11 0.29 0.39 -0.36 0.21 0.00 0.00 175.17 175.59 3b3o s PHE 472 N -1.11 3.58 -0.07 4.23 0.40 -1.26 -1.82 117.98 121.93 3b3o s PHE 472 Ca 0.27 0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 57.33 3b3o s PHE 472 Cb -0.18 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 40.99 3b3o s PHE 472 CO 0.17 0.38 0.27 1.03 0.70 0.00 0.00 175.22 177.77 3b3o s ARG 473 N -0.08 0.44 -0.25 0.44 1.81 -0.32 -3.13 118.95 117.86 3b3o s ARG 473 Ca 0.22 0.14 -0.08 0.00 -1.72 0.00 0.00 55.73 54.29 3b3o s ARG 473 Cb -0.15 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 3b3o s ARG 473 CO 0.09 -0.09 0.10 0.08 -0.68 0.00 0.00 175.30 174.81 3b3o s VAL 474 N -0.42 4.60 0.11 3.52 1.01 -1.26 -1.19 120.40 126.77 3b3o s VAL 474 Ca -0.05 -0.07 0.24 0.00 0.00 0.00 0.00 61.98 62.09 3b3o s VAL 474 Cb -0.04 -3.16 0.23 0.00 0.00 0.00 0.00 36.38 33.42 3b3o s VAL 474 CO 0.02 0.33 1.81 -0.50 0.00 0.00 0.00 175.10 176.76 3b3o h TRP 475 N 8.10 0.00 -4.22 5.22 4.06 -1.46 -3.42 115.95 124.23 3b3o h TRP 475 Ca -0.37 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.07 3b3o h TRP 475 Cb 1.18 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.45 3b3o h TRP 475 CO 0.68 0.22 0.37 -0.80 -3.56 0.00 0.00 178.44 175.35 3b3o s ASN 476 N -6.18 4.92 0.02 -3.49 -0.87 -1.26 -4.94 114.94 103.13 3b3o s ASN 476 Ca 0.01 2.01 -0.09 0.00 -1.57 0.00 0.00 52.86 53.21 3b3o s ASN 476 Cb 0.10 -2.55 -0.31 0.00 -0.02 0.00 0.00 41.25 38.47 3b3o s ASN 476 CO 0.64 -1.76 0.94 0.77 -2.57 0.00 0.00 177.10 175.12 3b3o h SER 477 N -0.19 0.60 -4.33 -1.22 4.64 -1.91 -3.32 113.55 107.82 3b3o h SER 477 Ca -0.46 -0.71 -0.39 0.00 -0.47 0.00 0.00 61.79 59.75 3b3o h SER 477 Cb 1.25 -0.19 -0.20 0.00 -0.31 0.00 0.00 62.40 62.95 3b3o h SER 477 CO 0.53 1.58 -0.76 -1.10 -0.87 0.00 0.00 176.83 176.21 3b3o s GLN 478 N -2.61 0.88 0.24 4.77 -0.21 -1.26 -0.37 119.66 121.10 3b3o s GLN 478 Ca -0.09 -1.09 -0.07 0.00 0.02 0.00 0.00 55.36 54.14 3b3o s GLN 478 Cb 0.06 -0.77 0.23 0.00 1.00 0.00 0.00 33.01 33.53 3b3o s GLN 478 CO 0.89 0.15 1.90 -0.07 -2.12 0.00 0.00 175.29 176.05 3b3o h LEU 479 N 3.89 1.12 -7.95 2.90 3.38 -1.22 -3.40 115.31 114.03 3b3o h LEU 479 Ca -0.40 -0.05 -0.66 0.00 0.09 0.00 0.00 57.88 56.87 3b3o h LEU 479 Cb 1.19 -0.28 -0.36 0.00 0.09 0.00 0.00 40.66 41.30 3b3o h LEU 479 CO 0.46 0.84 -0.83 -0.63 0.09 0.00 0.00 178.44 178.37 3b3o s ILE 480 N -6.04 1.99 0.19 1.22 1.01 -1.26 -4.86 121.20 113.45 3b3o s ILE 480 Ca -0.13 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.30 3b3o s ILE 480 Cb 0.17 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3b3o s ILE 480 CO 0.82 0.32 0.33 -0.13 0.00 0.00 0.00 174.94 176.28 3b3o s ARG 481 N 1.27 1.27 0.01 2.79 0.52 -1.26 -4.88 118.95 118.66 3b3o s ARG 481 Ca 0.00 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 53.97 3b3o s ARG 481 Cb -0.15 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 3b3o s ARG 481 CO -0.10 -0.49 0.19 0.71 0.02 0.00 0.00 175.30 175.64 3b3o s TYR 482 N -3.99 3.55 0.66 -0.53 4.12 -1.26 -0.74 117.35 119.15 3b3o s TYR 482 Ca 0.20 0.35 -0.12 0.00 0.02 0.00 0.00 57.07 57.52 3b3o s TYR 482 Cb 0.02 -1.83 -0.01 0.00 -1.52 0.00 0.00 41.96 38.63 3b3o s TYR 482 CO 0.03 0.63 1.06 0.00 0.02 0.00 0.00 175.55 177.29 3b3o s ALA 483 N -1.36 2.71 -0.11 3.71 0.00 0.03 -4.55 121.76 122.18 3b3o s ALA 483 Ca 0.29 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3b3o s ALA 483 Cb -0.13 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3b3o s ALA 483 CO 0.20 -1.08 -0.14 0.20 0.00 0.00 0.00 175.76 174.95 3b3o s GLY 484 N -3.48 1.00 -0.10 0.00 0.00 -1.24 -2.27 107.32 101.22 3b3o s GLY 484 Ca 0.60 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.66 3b3o s GLY 484 CO 0.49 0.32 -0.23 -0.19 0.00 0.00 0.00 173.10 173.48 3b3o s TYR 485 N 1.09 2.54 -0.56 1.90 1.51 0.85 -3.90 117.35 120.77 3b3o s TYR 485 Ca -0.05 -1.07 -0.22 0.00 -1.01 0.00 0.00 57.07 54.73 3b3o s TYR 485 Cb -0.14 -1.70 0.06 0.00 -0.11 0.00 0.00 41.96 40.06 3b3o s TYR 485 CO -0.03 -0.44 0.84 0.15 -1.11 0.00 0.00 175.55 174.96 3b3o s LYS 486 N 0.40 3.20 0.94 -0.62 1.02 -1.26 0.14 119.74 123.56 3b3o s LYS 486 Ca -0.18 -0.65 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 3b3o s LYS 486 Cb -0.18 -4.12 0.17 0.00 -0.52 0.00 0.00 37.83 33.19 3b3o s LYS 486 CO 0.08 -1.49 1.24 -0.65 -0.92 0.00 0.00 175.35 173.61 3b3o s GLN 487 N 3.50 0.84 0.24 1.68 -0.21 -0.86 -4.98 119.66 119.86 3b3o s GLN 487 Ca 0.23 -0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.47 3b3o s GLN 487 Cb -0.16 -1.84 0.27 0.00 1.00 0.00 0.00 33.01 32.27 3b3o s GLN 487 CO 0.14 -2.32 1.60 -1.00 -2.12 0.00 0.00 175.29 171.59 3b3o h PRO 488 N -1.58 0.40 0.00 2.91 0.13 -1.97 -2.71 132.00 129.19 3b3o h PRO 488 Ca -0.46 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3b3o h PRO 488 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3b3o h PRO 488 CO 0.48 0.79 0.00 -3.47 -0.23 0.00 0.00 178.00 175.57 3b3o n ASP 489 N -3.98 0.00 0.00 1.44 4.64 -1.26 -4.63 116.55 112.76 3b3o n ASP 489 Ca -0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.39 3b3o n ASP 489 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.62 3b3o n ASP 489 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3b3o n GLY 490 N -0.54 1.62 3.54 0.27 0.00 -1.02 -4.92 105.19 104.14 3b3o n GLY 490 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3b3o n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3o s SER 491 N -0.84 0.93 -0.08 1.61 1.04 -1.26 -4.79 113.70 110.30 3b3o s SER 491 Ca 0.00 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.41 3b3o s SER 491 Cb 0.00 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.71 3b3o s SER 491 CO 0.00 -4.15 -0.19 -0.89 0.98 0.00 0.00 173.24 168.99 3b3o s THR 492 N -2.77 1.65 -0.20 2.02 2.01 -1.26 -2.04 115.64 115.05 3b3o s THR 492 Ca 0.69 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 3b3o s THR 492 Cb -0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 3b3o s THR 492 CO 0.58 0.47 0.40 -0.22 -0.69 0.00 0.00 174.62 175.17 3b3o s LEU 493 N 0.44 4.15 0.00 4.42 2.96 0.36 -4.91 118.68 126.11 3b3o s LEU 493 Ca -0.16 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 3b3o s LEU 493 Cb -0.17 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.00 3b3o s LEU 493 CO 0.06 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 3b3o n GLY 494 N 3.94 0.54 3.48 7.98 0.00 -1.26 -0.11 105.19 119.77 3b3o n GLY 494 Ca -0.08 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 3b3o n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b3o s ASP 495 N -4.00 6.26 0.49 1.61 -1.08 -0.96 -4.79 116.67 114.20 3b3o s ASP 495 Ca 0.00 -0.65 0.24 0.00 -0.52 0.00 0.00 52.55 51.62 3b3o s ASP 495 Cb 0.00 -2.30 1.29 0.00 -1.46 0.00 0.00 42.92 40.45 3b3o s ASP 495 CO 0.00 -0.84 1.91 -0.65 0.52 0.00 0.00 175.17 176.11 3b3o h PRO 496 N 8.95 0.17 -0.05 4.34 0.11 -1.82 -1.57 132.00 142.13 3b3o h PRO 496 Ca -0.27 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.85 3b3o h PRO 496 Cb 1.10 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3b3o h PRO 496 CO 0.93 0.11 0.05 0.00 -0.21 0.00 0.00 178.00 178.88 3b3o h ALA 497 N 1.63 1.74 -0.03 -0.75 0.00 -1.93 -2.89 119.26 117.03 3b3o h ALA 497 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3b3o h ALA 497 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3b3o h ALA 497 CO -0.07 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.20 3b3o n ASN 498 N -4.05 2.50 -0.35 0.00 3.02 -0.59 -4.70 115.26 111.09 3b3o n ASN 498 Ca -0.02 -1.75 -0.07 0.00 -0.03 0.00 0.00 54.58 52.71 3b3o n ASN 498 Cb 0.14 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 3b3o n ASN 498 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3b3o n VAL 499 N 1.01 -0.55 0.25 2.41 0.31 -1.09 0.02 118.33 120.68 3b3o n VAL 499 Ca 0.11 2.04 -0.16 0.00 -0.01 0.00 0.00 64.34 66.32 3b3o n VAL 499 Cb 0.45 -2.56 -0.08 0.00 -0.91 0.00 0.00 33.84 30.74 3b3o n VAL 499 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3b3o h GLN 500 N 0.00 -0.67 -0.51 5.55 4.15 -1.84 -2.06 115.11 119.72 3b3o h GLN 500 Ca 0.17 0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.72 3b3o h GLN 500 Cb 0.39 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 3b3o h GLN 500 CO -0.81 -0.45 0.13 0.35 -1.93 0.00 0.00 178.83 176.12 3b3o h PHE 501 N -0.70 0.22 -0.98 3.99 3.57 -1.61 0.05 116.94 121.47 3b3o h PHE 501 Ca -0.04 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.70 3b3o h PHE 501 Cb 0.60 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.22 3b3o h PHE 501 CO -0.14 0.03 0.62 1.15 -2.23 0.00 0.00 178.31 177.74 3b3o h THR 502 N 0.28 0.67 0.01 4.41 2.02 -0.10 0.12 112.91 120.31 3b3o h THR 502 Ca 0.26 -0.21 -0.23 0.00 0.77 0.00 0.00 66.41 67.00 3b3o h THR 502 Cb 0.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3b3o h THR 502 CO -0.31 0.11 -0.97 -0.33 0.37 0.00 0.00 175.52 174.39 3b3o h GLU 503 N 0.61 0.43 0.00 6.66 5.08 -0.33 -2.77 114.58 124.26 3b3o h GLU 503 Ca 0.55 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3b3o h GLU 503 Cb 1.08 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3b3o h GLU 503 CO -0.32 1.14 -0.03 0.82 -1.00 0.00 0.00 179.01 179.62 3b3o h ILE 504 N 0.24 0.19 0.02 3.13 2.04 0.25 0.40 117.51 123.78 3b3o h ILE 504 Ca -0.09 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3b3o h ILE 504 Cb 1.61 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 3b3o h ILE 504 CO 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.34 3b3o h ILE 506 N -0.93 0.38 0.00 0.00 2.04 -1.13 0.74 117.51 118.62 3b3o h ILE 506 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3b3o h ILE 506 Cb 0.74 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3b3o h ILE 506 CO 0.00 0.00 0.19 1.67 0.00 0.00 0.00 178.15 180.02 3b3o n GLN 507 N -5.38 0.09 0.00 2.37 7.27 0.13 0.64 117.38 122.50 3b3o n GLN 507 Ca -0.02 0.55 0.06 0.00 0.07 0.00 0.00 57.00 57.65 3b3o n GLN 507 Cb 0.29 -1.97 -0.00 0.00 2.41 0.00 0.00 30.24 30.97 3b3o n GLN 507 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3b3o n GLN 508 N -1.97 2.00 0.00 3.69 1.13 0.23 -5.02 117.38 117.44 3b3o n GLN 508 Ca -0.01 -0.64 0.00 0.00 -1.94 0.00 0.00 57.00 54.41 3b3o n GLN 508 Cb 0.21 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.44 3b3o n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3b3o n GLY 509 N 0.95 2.27 3.43 1.08 0.00 0.21 -4.94 105.19 108.18 3b3o n GLY 509 Ca 0.05 -0.39 -0.47 0.00 0.00 0.00 0.00 46.02 45.20 3b3o n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3b3o n TRP 510 N 0.00 -0.19 -3.39 1.61 -0.00 -0.86 -4.87 117.44 109.73 3b3o n TRP 510 Ca 0.00 0.92 -0.40 0.00 -0.00 0.00 0.00 57.50 58.02 3b3o n TRP 510 Cb 0.00 -2.01 -0.03 0.00 -0.00 0.00 0.00 31.31 29.27 3b3o n TRP 510 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3b3o n LYS 511 N 0.95 3.33 -1.59 5.87 5.02 -1.26 -4.38 118.16 126.10 3b3o n LYS 511 Ca 0.17 -4.50 -0.50 0.00 -2.02 0.00 0.00 58.31 51.45 3b3o n LYS 511 Cb 0.26 -2.47 -0.05 0.00 -0.02 0.00 0.00 35.03 32.75 3b3o n LYS 511 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b3o n ALA 512 N 2.15 -0.64 1.63 7.82 0.00 -1.26 -4.85 120.51 125.35 3b3o n ALA 512 Ca 0.24 0.48 0.15 0.00 0.00 0.00 0.00 53.44 54.31 3b3o n ALA 512 Cb 0.37 -2.08 0.74 0.00 0.00 0.00 0.00 19.45 18.49 3b3o n ALA 512 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3b3o n PRO 513 N 2.22 0.89 -3.60 0.00 -0.02 -1.26 -4.96 135.00 128.27 3b3o n PRO 513 Ca 0.16 -0.21 -0.18 0.00 -2.02 0.00 0.00 63.50 61.25 3b3o n PRO 513 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3b3o n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3b3o n ARG 514 N -0.87 -1.50 -4.39 -0.52 1.74 -1.26 -5.01 116.66 104.84 3b3o n ARG 514 Ca 0.18 0.96 -0.27 0.00 -0.77 0.00 0.00 57.85 57.95 3b3o n ARG 514 Cb 0.22 -3.18 -0.07 0.00 -1.02 0.00 0.00 32.46 28.41 3b3o n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b3o n GLY 515 N -1.65 3.44 0.08 -0.13 0.00 -1.26 -5.05 105.19 100.62 3b3o n GLY 515 Ca -0.23 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 43.50 3b3o n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b3o h ARG 516 N 0.00 0.00 -2.12 1.61 2.43 -1.93 -3.39 114.38 110.98 3b3o h ARG 516 Ca -0.35 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.28 3b3o h ARG 516 Cb 1.17 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.32 3b3o h ARG 516 CO 0.57 0.80 -0.92 1.19 -1.51 0.00 0.00 179.97 180.10 3b3o n PHE 517 N -3.26 1.82 -3.05 2.20 3.01 -1.26 -4.19 117.46 112.73 3b3o n PHE 517 Ca -0.03 -3.88 -0.42 0.00 1.01 0.00 0.00 57.45 54.13 3b3o n PHE 517 Cb 0.92 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 3b3o n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3b3o s ASP 518 N -2.54 6.42 -0.04 4.37 1.01 -1.26 -4.93 116.67 119.70 3b3o s ASP 518 Ca 0.42 0.02 -0.31 0.00 0.71 0.00 0.00 52.55 53.39 3b3o s ASP 518 Cb 0.27 -2.35 -0.10 0.00 1.01 0.00 0.00 42.92 41.75 3b3o s ASP 518 CO -0.09 -0.73 1.98 0.52 0.21 0.00 0.00 175.17 177.05 3b3o n VAL 519 N 5.80 0.66 -0.87 -1.27 0.31 -1.26 -0.79 118.33 120.91 3b3o n VAL 519 Ca 0.00 -0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 3b3o n VAL 519 Cb 0.48 -2.19 0.15 0.00 -0.91 0.00 0.00 33.84 31.38 3b3o n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3b3o s LEU 520 N 4.79 2.63 0.23 7.52 1.43 0.08 -4.89 118.68 130.47 3b3o s LEU 520 Ca 0.92 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.92 3b3o s LEU 520 Cb -0.52 -4.38 -0.06 0.00 0.03 0.00 0.00 46.19 41.26 3b3o s LEU 520 CO 0.45 -2.92 0.50 -2.16 0.23 0.00 0.00 176.35 172.45 3b3o s PRO 521 N -4.72 3.68 0.37 1.29 0.04 -1.26 -4.76 135.00 129.64 3b3o s PRO 521 Ca 0.65 0.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.49 3b3o s PRO 521 Cb -0.21 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 3b3o s PRO 521 CO 0.58 0.33 1.03 -0.51 0.04 0.00 0.00 177.00 178.47 3b3o s LEU 522 N -3.06 4.22 -0.32 -3.56 1.43 0.58 -4.84 118.68 113.13 3b3o s LEU 522 Ca 0.44 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 3b3o s LEU 522 Cb -0.11 -4.10 0.10 0.00 0.03 0.00 0.00 46.19 42.10 3b3o s LEU 522 CO 0.26 -0.37 0.06 -0.22 0.23 0.00 0.00 176.35 176.31 3b3o s LEU 523 N -2.41 3.67 -0.11 1.79 0.20 -1.26 -1.29 118.68 119.28 3b3o s LEU 523 Ca 0.55 -1.91 -0.04 0.00 0.69 0.00 0.00 54.13 53.42 3b3o s LEU 523 Cb -0.22 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 3b3o s LEU 523 CO 0.28 -0.39 0.03 -0.76 -0.29 0.00 0.00 176.35 175.22 3b3o s LEU 524 N 1.21 3.74 -0.13 -0.68 1.43 0.32 -1.11 118.68 123.45 3b3o s LEU 524 Ca 0.10 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3b3o s LEU 524 Cb -0.18 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3b3o s LEU 524 CO -0.15 0.34 -0.19 -1.58 0.23 0.00 0.00 176.35 175.00 3b3o s GLN 525 N -0.67 2.73 -0.04 1.70 0.74 -0.33 -0.29 119.66 123.51 3b3o s GLN 525 Ca 0.11 -0.75 0.05 0.00 0.05 0.00 0.00 55.36 54.82 3b3o s GLN 525 Cb -0.12 -2.26 -0.01 0.00 1.10 0.00 0.00 33.01 31.73 3b3o s GLN 525 CO 0.02 -0.05 -0.19 0.00 -0.55 0.00 0.00 175.29 174.52 3b3o s ALA 526 N 0.94 1.64 -1.07 1.58 0.00 -1.26 -1.17 121.76 122.42 3b3o s ALA 526 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3b3o s ALA 526 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3b3o s ALA 526 CO -0.03 0.33 0.00 -1.71 0.00 0.00 0.00 175.76 174.35 3b3o n ASN 527 N 2.96 -4.68 0.00 0.00 4.05 -1.25 -1.23 115.26 115.11 3b3o n ASN 527 Ca -0.17 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.11 3b3o n ASN 527 Cb 0.53 -3.61 0.00 0.00 1.23 0.00 0.00 39.78 37.92 3b3o n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3b3o n GLY 528 N 0.15 1.52 3.48 8.20 0.00 -0.76 -4.22 105.19 113.57 3b3o n GLY 528 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3b3o n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b3o s ASN 529 N -1.64 0.69 0.72 1.61 0.01 -0.36 -4.88 114.94 111.09 3b3o s ASN 529 Ca 0.00 1.25 -0.15 0.00 -0.71 0.00 0.00 52.86 53.25 3b3o s ASN 529 Cb 0.00 -1.92 0.03 0.00 0.41 0.00 0.00 41.25 39.77 3b3o s ASN 529 CO 0.00 -4.34 1.18 -1.81 -1.51 0.00 0.00 177.10 170.62 3b3o s ASP 530 N -2.86 4.36 0.40 -1.22 -0.00 -1.26 -4.33 116.67 111.76 3b3o s ASP 530 Ca 0.68 2.27 -0.19 0.00 -0.00 0.00 0.00 52.55 55.31 3b3o s ASP 530 Cb -0.21 -2.58 -0.10 0.00 -0.00 0.00 0.00 42.92 40.03 3b3o s ASP 530 CO 0.62 -2.15 0.89 -2.16 -0.00 0.00 0.00 175.17 172.38 3b3o s PRO 531 N -3.98 4.16 0.15 8.23 0.04 -1.26 -4.64 135.00 137.71 3b3o s PRO 531 Ca 0.72 0.99 0.11 0.00 0.04 0.00 0.00 61.00 62.87 3b3o s PRO 531 Cb -0.27 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 3b3o s PRO 531 CO 0.45 0.02 -0.25 -1.21 0.04 0.00 0.00 177.00 176.04 3b3o s GLU 532 N -3.14 1.42 0.21 4.56 2.02 0.60 -4.85 118.70 119.52 3b3o s GLU 532 Ca 0.60 -1.40 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 3b3o s GLU 532 Cb -0.09 -1.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.25 3b3o s GLU 532 CO 0.14 0.42 0.47 -0.51 0.02 0.00 0.00 175.26 175.80 3b3o s LEU 533 N -2.27 4.18 -0.19 1.80 1.43 -1.26 -0.52 118.68 121.85 3b3o s LEU 533 Ca 0.16 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 3b3o s LEU 533 Cb -0.09 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.75 3b3o s LEU 533 CO 0.07 -0.06 0.49 -0.36 0.23 0.00 0.00 176.35 176.72 3b3o s PHE 534 N -1.84 -0.66 -0.22 0.29 0.40 -0.41 -4.97 117.98 110.58 3b3o s PHE 534 Ca 0.43 1.44 -0.16 0.00 -0.60 0.00 0.00 56.93 58.03 3b3o s PHE 534 Cb -0.11 0.30 -0.04 0.00 0.51 0.00 0.00 43.02 43.68 3b3o s PHE 534 CO 0.26 -0.34 0.43 -1.14 0.70 0.00 0.00 175.22 175.13 3b3o s GLN 535 N 1.01 4.14 0.10 0.44 2.00 -1.26 -0.31 119.66 125.78 3b3o s GLN 535 Ca -0.06 0.23 -0.31 0.00 -2.00 0.00 0.00 55.36 53.22 3b3o s GLN 535 Cb -0.06 -3.57 -0.08 0.00 0.80 0.00 0.00 33.01 30.10 3b3o s GLN 535 CO -0.09 -0.13 1.51 0.42 -0.50 0.00 0.00 175.29 176.50 3b3o s ILE 536 N 1.59 3.10 -0.37 -2.34 1.01 -1.26 -4.85 121.20 118.09 3b3o s ILE 536 Ca 0.20 0.71 -0.40 0.00 0.00 0.00 0.00 60.65 61.15 3b3o s ILE 536 Cb -0.15 -3.46 -0.16 0.00 0.01 0.00 0.00 42.46 38.71 3b3o s ILE 536 CO 0.09 0.03 1.93 -2.65 0.00 0.00 0.00 174.94 174.34 3b3o n PRO 537 N 4.57 0.78 -0.39 2.79 -0.02 -1.26 -4.73 135.00 136.73 3b3o n PRO 537 Ca 0.13 0.26 0.32 0.00 -2.02 0.00 0.00 63.50 62.19 3b3o n PRO 537 Cb 0.41 -2.02 0.62 0.00 -0.02 0.00 0.00 33.50 32.49 3b3o n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3b3o h PRO 538 N 8.76 0.18 0.00 0.52 0.11 -1.94 1.32 132.00 140.96 3b3o h PRO 538 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3b3o h PRO 538 Cb 1.34 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3b3o h PRO 538 CO 1.01 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.97 3b3o h GLU 539 N 0.19 0.00 0.00 1.05 9.09 -2.02 -2.48 114.58 120.41 3b3o h GLU 539 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.11 3b3o h GLU 539 Cb 2.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.27 3b3o h GLU 539 CO -0.28 0.00 -0.98 1.28 0.05 0.00 0.00 179.01 179.08 3b3o n LEU 540 N -2.61 0.63 -4.37 3.06 4.77 0.45 -4.76 117.00 114.17 3b3o n LEU 540 Ca 0.00 -0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.48 3b3o n LEU 540 Cb 0.20 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3b3o n LEU 540 CO 0.20 0.07 0.44 -0.69 -1.33 0.00 0.00 177.39 176.08 3b3o s VAL 541 N -3.16 4.90 -0.06 4.08 1.01 -0.93 -4.77 120.40 121.46 3b3o s VAL 541 Ca 0.05 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 3b3o s VAL 541 Cb 0.15 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 3b3o s VAL 541 CO 0.80 -1.14 1.18 -0.22 0.00 0.00 0.00 175.10 175.72 3b3o s LEU 542 N 2.40 4.27 0.26 3.92 2.96 -1.26 -5.00 118.68 126.24 3b3o s LEU 542 Ca 0.13 1.78 0.12 0.00 -0.22 0.00 0.00 54.13 55.94 3b3o s LEU 542 Cb -0.22 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 3b3o s LEU 542 CO 0.03 -0.58 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.68 3b3o s GLU 543 N 2.24 1.63 -0.11 1.98 2.02 -1.26 -1.06 118.70 124.13 3b3o s GLU 543 Ca 0.55 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.82 3b3o s GLU 543 Cb -0.24 -1.71 0.02 0.00 0.10 0.00 0.00 34.13 32.30 3b3o s GLU 543 CO 0.21 0.32 -0.10 0.08 0.02 0.00 0.00 175.26 175.80 3b3o s VAL 544 N -2.46 1.16 0.08 2.63 1.01 0.88 -4.86 120.40 118.83 3b3o s VAL 544 Ca 0.28 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 3b3o s VAL 544 Cb -0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 3b3o s VAL 544 CO 0.14 0.39 1.23 -2.16 0.00 0.00 0.00 175.10 174.69 3b3o s PRO 545 N 1.48 4.42 -0.38 2.72 0.04 -1.26 -1.57 135.00 140.45 3b3o s PRO 545 Ca 0.02 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 3b3o s PRO 545 Cb -0.13 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.09 3b3o s PRO 545 CO -0.07 -0.28 0.57 0.42 0.04 0.00 0.00 177.00 177.69 3b3o s ILE 546 N 1.01 4.94 0.04 0.56 -1.09 0.19 -4.80 121.20 122.05 3b3o s ILE 546 Ca 0.59 0.28 0.06 0.00 -2.23 0.00 0.00 60.65 59.35 3b3o s ILE 546 Cb -0.31 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 3b3o s ILE 546 CO 0.30 -0.36 -0.16 0.00 -1.23 0.00 0.00 174.94 173.48 3b3o s ARG 547 N 2.56 1.09 0.16 2.79 3.03 -1.26 -4.16 118.95 123.16 3b3o s ARG 547 Ca 0.21 -0.80 -0.14 0.00 2.03 0.00 0.00 55.73 57.03 3b3o s ARG 547 Cb -0.15 -1.13 -0.07 0.00 -1.03 0.00 0.00 34.95 32.57 3b3o s ARG 547 CO 0.15 0.29 0.56 -1.58 -1.13 0.00 0.00 175.30 173.59 3b3o s HIS 548 N -0.80 3.59 -1.16 5.89 2.46 -1.26 -4.22 115.29 119.79 3b3o s HIS 548 Ca 0.04 1.06 0.00 0.00 0.47 0.00 0.00 55.06 56.63 3b3o s HIS 548 Cb -0.08 -2.37 0.00 0.00 -0.13 0.00 0.00 32.58 30.00 3b3o s HIS 548 CO 0.01 0.40 0.56 -0.35 -2.47 0.00 0.00 174.74 172.89 3b3o n PRO 549 N 0.69 0.96 0.00 2.88 -0.04 -1.26 -4.02 135.00 134.20 3b3o n PRO 549 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3b3o n PRO 549 Cb 0.52 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 3b3o n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3b3o n LYS 550 N -0.06 0.00 -3.16 0.54 5.02 -1.26 -5.05 118.16 114.19 3b3o n LYS 550 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 3b3o n LYS 550 Cb 0.20 -0.12 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 3b3o n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3b3o s PHE 551 N -1.00 3.13 0.19 2.13 2.99 -1.26 -4.91 117.98 119.26 3b3o s PHE 551 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 56.93 55.66 3b3o s PHE 551 Cb 0.00 -3.97 0.15 0.00 0.00 0.00 0.00 43.02 39.20 3b3o s PHE 551 CO 0.00 -1.22 1.83 -0.44 -0.00 0.00 0.00 175.22 175.39 3b3o h ASP 552 N 8.97 0.62 0.00 1.36 3.32 -1.97 -0.44 116.42 128.27 3b3o h ASP 552 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3b3o h ASP 552 Cb 1.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3b3o h ASP 552 CO 1.06 0.43 0.37 4.11 -1.72 0.00 0.00 179.24 183.48 3b3o h TRP 553 N 0.75 0.00 0.13 4.55 5.08 -1.96 -2.47 115.95 122.02 3b3o h TRP 553 Ca 0.25 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.24 3b3o h TRP 553 Cb 0.02 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.15 3b3o h TRP 553 CO -0.05 0.00 -0.27 0.35 -1.28 0.00 0.00 178.44 177.18 3b3o h PHE 554 N 0.00 -0.74 -0.94 0.12 3.57 -1.45 -0.91 116.94 116.60 3b3o h PHE 554 Ca 0.00 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.79 3b3o h PHE 554 Cb 0.73 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3b3o h PHE 554 CO 0.00 -0.38 0.75 1.57 -2.23 0.00 0.00 178.31 178.02 3b3o h LYS 555 N -0.50 0.00 0.00 1.11 2.10 -1.60 0.66 116.57 118.34 3b3o h LYS 555 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3b3o h LYS 555 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3b3o h LYS 555 CO -0.15 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.05 3b3o n ASP 556 N -4.02 0.34 0.29 7.07 8.00 -0.35 -1.57 116.55 126.31 3b3o n ASP 556 Ca 0.20 0.59 0.18 0.00 0.71 0.00 0.00 54.79 56.46 3b3o n ASP 556 Cb 1.07 -0.66 0.78 0.00 -0.02 0.00 0.00 41.12 42.29 3b3o n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3b3o h LEU 557 N 0.00 0.00 -0.13 0.64 3.38 0.31 -3.46 115.31 116.05 3b3o h LEU 557 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3b3o h LEU 557 Cb 0.30 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.10 3b3o h LEU 557 CO 0.00 0.01 -0.30 0.61 0.09 0.00 0.00 178.44 178.85 3b3o n GLY 558 N -0.17 0.14 3.87 0.83 0.00 -0.61 -5.02 105.19 104.23 3b3o n GLY 558 Ca -0.00 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3b3o n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3o s LEU 559 N -3.63 4.39 0.06 0.99 1.43 -1.26 -5.02 118.68 115.64 3b3o s LEU 559 Ca 0.19 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 3b3o s LEU 559 Cb -0.08 -2.49 0.04 0.00 0.03 0.00 0.00 46.19 43.68 3b3o s LEU 559 CO 0.23 0.31 0.41 -1.59 0.23 0.00 0.00 176.35 175.94 3b3o s LYS 560 N -1.44 0.95 0.03 1.70 -2.85 -1.26 0.57 119.74 117.44 3b3o s LYS 560 Ca 0.23 -0.42 -0.05 0.00 -1.00 0.00 0.00 55.97 54.73 3b3o s LYS 560 Cb -0.13 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 3b3o s LYS 560 CO 0.12 -0.33 0.08 -0.46 0.10 0.00 0.00 175.35 174.86 3b3o s TRP 561 N -2.71 0.19 0.39 1.78 -0.11 -0.61 -4.93 118.94 112.94 3b3o s TRP 561 Ca -0.04 -0.46 -0.23 0.00 1.22 0.00 0.00 56.10 56.59 3b3o s TRP 561 Cb -0.00 -0.14 -0.10 0.00 -1.50 0.00 0.00 33.47 31.72 3b3o s TRP 561 CO -0.04 -0.32 0.97 1.52 -4.62 0.00 0.00 176.95 174.45 3b3o s TYR 562 N -2.25 3.42 -0.55 5.86 -0.85 -1.26 -0.09 117.35 121.63 3b3o s TYR 562 Ca -0.08 1.67 0.24 0.00 -0.52 0.00 0.00 57.07 58.39 3b3o s TYR 562 Cb -0.03 -2.93 0.52 0.00 0.38 0.00 0.00 41.96 39.89 3b3o s TYR 562 CO -0.03 -0.12 1.67 0.78 -1.52 0.00 0.00 175.55 176.34 3b3o h GLY 563 N 2.42 0.00 -7.37 5.49 0.00 -1.43 -3.45 103.07 98.72 3b3o h GLY 563 Ca -0.48 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.12 3b3o h GLY 563 CO 0.62 0.00 -0.39 -2.27 0.00 0.00 0.00 176.54 174.50 3b3o s LEU 564 N -5.58 5.40 -0.24 3.11 2.96 -1.26 -4.53 118.68 118.54 3b3o s LEU 564 Ca 0.08 -1.39 -0.28 0.00 -0.22 0.00 0.00 54.13 52.32 3b3o s LEU 564 Cb 0.08 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3b3o s LEU 564 CO 0.64 -0.59 0.99 -2.16 -1.32 0.00 0.00 176.35 173.91 3b3o s PRO 565 N 1.55 4.21 -0.29 0.98 0.04 -1.26 -4.73 135.00 135.49 3b3o s PRO 565 Ca 0.04 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 3b3o s PRO 565 Cb -0.24 -3.65 0.13 0.00 0.04 0.00 0.00 34.50 30.78 3b3o s PRO 565 CO 0.05 -0.64 0.25 0.00 0.04 0.00 0.00 177.00 176.70 3b3o s ALA 566 N 3.17 -0.14 -0.02 8.56 0.00 -1.26 -2.51 121.76 129.56 3b3o s ALA 566 Ca 0.42 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3b3o s ALA 566 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 3b3o s ALA 566 CO 0.07 -1.72 1.48 0.08 0.00 0.00 0.00 175.76 175.67 3b3o s VAL 567 N 2.23 3.65 -0.08 0.00 1.01 -0.13 -0.67 120.40 126.40 3b3o s VAL 567 Ca 0.10 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.05 3b3o s VAL 567 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3b3o s VAL 567 CO -0.32 -0.03 0.36 -1.54 0.00 0.00 0.00 175.10 173.57 3b3o n SER 568 N 5.95 0.73 -1.26 3.32 3.41 0.50 -1.41 113.62 124.86 3b3o n SER 568 Ca 0.15 -0.86 0.11 0.00 -0.26 0.00 0.00 58.87 58.00 3b3o n SER 568 Cb 0.43 0.33 0.30 0.00 -0.26 0.00 0.00 64.21 65.01 3b3o n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3b3o n ASN 569 N -0.30 3.87 -4.97 4.04 2.04 -1.10 -4.46 115.26 114.37 3b3o n ASN 569 Ca 0.00 -2.05 -0.21 0.00 -0.44 0.00 0.00 54.58 51.88 3b3o n ASN 569 Cb 0.02 -0.46 0.03 0.00 -2.53 0.00 0.00 39.78 36.84 3b3o n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3b3o s MET 570 N -1.10 2.64 -0.16 -3.83 -1.94 -1.26 -4.33 119.30 109.31 3b3o s MET 570 Ca 0.45 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.65 3b3o s MET 570 Cb 0.24 -2.52 -0.00 0.00 2.01 0.00 0.00 34.83 34.56 3b3o s MET 570 CO 0.29 -0.62 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.38 3b3o s LEU 571 N -4.70 2.59 -0.23 -0.03 0.20 -0.08 -4.33 118.68 112.09 3b3o s LEU 571 Ca 0.56 -0.43 -0.15 0.00 0.69 0.00 0.00 54.13 54.80 3b3o s LEU 571 Cb -0.10 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 3b3o s LEU 571 CO 0.38 0.08 0.37 -0.22 -0.29 0.00 0.00 176.35 176.67 3b3o s LEU 572 N 0.84 4.11 -0.21 -0.68 2.96 0.11 -1.00 118.68 124.80 3b3o s LEU 572 Ca -0.04 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 3b3o s LEU 572 Cb -0.15 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 3b3o s LEU 572 CO 0.00 -0.10 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.17 3b3o s GLU 573 N 1.57 3.36 -0.08 1.98 2.12 -0.50 -0.34 118.70 126.81 3b3o s GLU 573 Ca 0.16 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.86 3b3o s GLU 573 Cb -0.15 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.31 3b3o s GLU 573 CO 0.08 -0.15 -0.09 0.42 -0.54 0.00 0.00 175.26 174.98 3b3o s ILE 574 N 1.34 0.98 -1.54 -3.70 1.01 -0.67 -2.11 121.20 116.51 3b3o s ILE 574 Ca 0.04 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 3b3o s ILE 574 Cb -0.14 -0.96 0.15 0.00 0.01 0.00 0.00 42.46 41.52 3b3o s ILE 574 CO -0.03 0.34 0.64 0.61 0.00 0.00 0.00 174.94 176.50 3b3o n GLY 575 N 4.35 -0.45 1.52 6.18 0.00 -1.26 -0.38 105.19 115.14 3b3o n GLY 575 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3b3o n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3o n GLY 576 N -1.22 3.12 3.80 -0.02 0.00 -1.26 -3.23 105.19 106.37 3b3o n GLY 576 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3b3o n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3o s LEU 577 N 0.00 4.06 -0.13 0.99 1.43 0.49 -5.02 118.68 120.49 3b3o s LEU 577 Ca 0.00 1.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.95 3b3o s LEU 577 Cb 0.00 -4.34 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 3b3o s LEU 577 CO 0.00 -0.40 -0.13 -1.61 0.23 0.00 0.00 176.35 174.43 3b3o s GLU 578 N -2.78 3.37 -0.37 1.70 2.02 -1.26 -1.67 118.70 119.71 3b3o s GLU 578 Ca 0.59 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.92 3b3o s GLU 578 Cb -0.16 -2.63 0.10 0.00 0.10 0.00 0.00 34.13 31.55 3b3o s GLU 578 CO 0.20 0.19 0.09 -0.06 0.02 0.00 0.00 175.26 175.70 3b3o s PHE 579 N 0.40 3.69 -1.17 1.61 0.40 0.54 0.24 117.98 123.69 3b3o s PHE 579 Ca -0.11 -2.98 0.24 0.00 -0.60 0.00 0.00 56.93 53.48 3b3o s PHE 579 Cb -0.16 -2.94 1.10 0.00 0.51 0.00 0.00 43.02 41.53 3b3o s PHE 579 CO 0.05 -0.93 1.78 -1.13 0.70 0.00 0.00 175.22 175.70 3b3o n SER 580 N 4.15 0.00 -3.62 1.36 3.41 -1.26 -0.72 113.62 116.94 3b3o n SER 580 Ca 0.04 0.28 -0.28 0.00 -0.26 0.00 0.00 58.87 58.65 3b3o n SER 580 Cb 0.41 -0.42 -0.16 0.00 -0.26 0.00 0.00 64.21 63.78 3b3o n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b3o s ALA 581 N -2.83 0.76 -0.41 7.33 0.00 -1.18 -4.59 121.76 120.83 3b3o s ALA 581 Ca 0.16 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.30 3b3o s ALA 581 Cb 0.16 -1.30 0.34 0.00 0.00 0.00 0.00 23.12 22.32 3b3o s ALA 581 CO 0.41 -1.46 0.94 0.00 0.00 0.00 0.00 175.76 175.66 3b3o n PRO 583 N 0.28 1.83 -4.15 0.00 -0.04 -1.19 -4.64 135.00 127.10 3b3o n PRO 583 Ca 0.15 0.65 -0.17 0.00 -0.04 0.00 0.00 63.50 64.09 3b3o n PRO 583 Cb 0.69 -2.30 -0.12 0.00 -0.04 0.00 0.00 33.50 31.73 3b3o n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3b3o s PHE 584 N 0.17 1.08 0.05 0.54 -0.12 -0.50 -1.27 117.98 117.93 3b3o s PHE 584 Ca 0.73 -0.47 -0.06 0.00 -0.05 0.00 0.00 56.93 57.08 3b3o s PHE 584 Cb -0.72 -0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 41.05 3b3o s PHE 584 CO 0.47 0.02 0.11 -1.54 -0.05 0.00 0.00 175.22 174.23 3b3o s SER 585 N -1.69 0.20 0.00 1.98 1.04 0.13 -0.96 113.70 114.41 3b3o s SER 585 Ca -0.04 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3b3o s SER 585 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3b3o s SER 585 CO 0.02 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3b3o n GLY 586 N 0.40 4.72 3.06 7.32 0.00 -1.04 -1.57 105.19 118.09 3b3o n GLY 586 Ca -0.17 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 3b3o n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b3o s TRP 587 N 3.58 0.28 0.66 1.61 -2.14 -1.26 -4.35 118.94 117.30 3b3o s TRP 587 Ca 0.00 -0.60 -0.16 0.00 2.66 0.00 0.00 56.10 58.00 3b3o s TRP 587 Cb 0.00 -0.20 -0.00 0.00 -3.10 0.00 0.00 33.47 30.17 3b3o s TRP 587 CO 0.00 -0.29 1.14 0.71 -2.66 0.00 0.00 176.95 175.85 3b3o s TYR 588 N -2.31 2.48 -0.15 1.66 1.51 -1.26 -4.89 117.35 114.38 3b3o s TYR 588 Ca -0.08 1.56 -0.05 0.00 -1.01 0.00 0.00 57.07 57.50 3b3o s TYR 588 Cb -0.03 -3.28 -0.03 0.00 -0.11 0.00 0.00 41.96 38.51 3b3o s TYR 588 CO -0.04 -1.92 0.01 1.41 -1.11 0.00 0.00 175.55 173.90 3b3o s MET 589 N -3.90 3.61 0.26 -0.62 -2.45 -1.26 -1.37 119.30 113.57 3b3o s MET 589 Ca 0.70 -0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 54.63 3b3o s MET 589 Cb -0.24 -2.99 0.42 0.00 1.25 0.00 0.00 34.83 33.27 3b3o s MET 589 CO 0.40 0.38 1.58 0.78 1.05 0.00 0.00 175.02 179.21 3b3o h GLY 590 N 6.28 0.69 1.53 2.11 0.00 -0.69 -1.99 103.07 111.00 3b3o h GLY 590 Ca -0.38 0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.27 3b3o h GLY 590 CO 0.63 -0.35 0.18 -0.91 0.00 0.00 0.00 176.54 176.10 3b3o h THR 591 N 0.01 0.55 -0.70 4.70 1.35 -1.93 -2.03 112.91 114.85 3b3o h THR 591 Ca 0.44 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.33 3b3o h THR 591 Cb 0.69 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 67.93 3b3o h THR 591 CO -0.89 0.00 0.46 -0.33 -0.25 0.00 0.00 175.52 174.51 3b3o h GLU 592 N 0.00 0.82 0.00 4.72 5.08 -1.77 0.95 114.58 124.39 3b3o h GLU 592 Ca 0.09 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3b3o h GLU 592 Cb 0.45 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3b3o h GLU 592 CO -0.00 0.55 -0.94 -0.89 -1.00 0.00 0.00 179.01 176.72 3b3o n ILE 593 N -4.46 1.48 -0.13 3.13 5.41 -0.81 -1.55 119.36 122.44 3b3o n ILE 593 Ca 0.09 0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.90 3b3o n ILE 593 Cb 0.12 -2.20 0.23 0.00 -0.71 0.00 0.00 39.64 37.08 3b3o n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3b3o h GLY 594 N -1.00 0.88 0.00 7.39 0.00 -1.45 0.33 103.07 109.22 3b3o h GLY 594 Ca -0.20 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.46 3b3o h GLY 594 CO -0.12 0.43 -1.41 -0.62 0.00 0.00 0.00 176.54 174.82 3b3o n VAL 595 N -4.32 1.51 -0.08 4.60 0.31 0.30 -3.72 118.33 116.93 3b3o n VAL 595 Ca 0.04 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 3b3o n VAL 595 Cb 0.18 -2.10 -0.08 0.00 -0.91 0.00 0.00 33.84 30.92 3b3o n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3b3o h ARG 596 N -1.00 0.00 -0.52 5.55 2.47 -1.49 -2.47 114.38 116.91 3b3o h ARG 596 Ca -0.34 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.33 3b3o h ARG 596 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3b3o h ARG 596 CO -0.20 0.66 0.13 -0.44 0.56 0.00 0.00 179.97 180.67 3b3o h ASP 597 N -1.00 0.79 0.10 7.04 3.32 -1.03 -2.79 116.42 122.85 3b3o h ASP 597 Ca -0.11 -0.23 -0.23 0.00 0.02 0.00 0.00 57.03 56.48 3b3o h ASP 597 Cb 0.83 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3b3o h ASP 597 CO -0.07 0.82 -1.13 1.88 -1.72 0.00 0.00 179.24 179.02 3b3o h TYR 598 N 0.73 0.39 0.00 4.55 0.99 -1.13 -1.92 116.97 120.57 3b3o h TYR 598 Ca 0.16 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.61 3b3o h TYR 598 Cb 0.34 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.05 3b3o h TYR 598 CO 0.02 1.44 -1.37 0.00 -0.00 0.00 0.00 178.16 178.25 3b3o n ASP 600 N -1.91 2.53 0.12 0.00 9.92 -1.05 -4.57 116.55 121.59 3b3o n ASP 600 Ca 0.00 1.17 0.01 0.00 -0.53 0.00 0.00 54.79 55.44 3b3o n ASP 600 Cb 0.45 -1.47 0.33 0.00 -0.64 0.00 0.00 41.12 39.79 3b3o n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3b3o h ASN 601 N 2.32 0.19 -0.17 -2.24 2.35 -1.92 -2.12 115.58 114.00 3b3o h ASN 601 Ca -0.46 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3b3o h ASN 601 Cb 1.29 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3b3o h ASN 601 CO 0.61 0.47 0.00 -1.54 -1.65 0.00 0.00 177.43 175.32 3b3o n SER 602 N -4.16 1.12 0.00 5.81 3.41 -1.26 -4.51 113.62 114.03 3b3o n SER 602 Ca -0.01 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3b3o n SER 602 Cb 0.36 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3b3o n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b3o n ARG 603 N 0.03 1.35 0.04 4.33 5.12 -0.85 -4.27 116.66 122.41 3b3o n ARG 603 Ca 0.11 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.11 3b3o n ARG 603 Cb 0.21 0.00 0.36 0.00 -1.16 0.00 0.00 32.46 31.86 3b3o n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3b3o n TYR 604 N 0.00 0.23 -3.13 -1.55 4.02 -0.72 -4.63 117.16 111.39 3b3o n TYR 604 Ca 0.00 0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.88 3b3o n TYR 604 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 3b3o n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3b3o n ASN 605 N -1.71 -1.55 -0.71 7.72 4.05 -0.39 -4.86 115.26 117.80 3b3o n ASN 605 Ca 0.03 -0.35 0.12 0.00 0.45 0.00 0.00 54.58 54.83 3b3o n ASN 605 Cb 0.18 -0.53 0.20 0.00 1.23 0.00 0.00 39.78 40.86 3b3o n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3b3o n ILE 606 N -1.46 0.00 -0.06 -1.44 -5.35 -0.14 -4.66 119.36 106.26 3b3o n ILE 606 Ca -0.09 -0.37 -0.08 0.00 -0.27 0.00 0.00 62.75 61.94 3b3o n ILE 606 Cb 0.22 1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 39.25 3b3o n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3b3o h LEU 607 N 3.48 -0.66 -0.55 7.28 3.38 -1.86 -1.43 115.31 124.95 3b3o h LEU 607 Ca 0.00 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3b3o h LEU 607 Cb 0.80 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 3b3o h LEU 607 CO 0.00 -0.24 0.05 -0.33 0.09 0.00 0.00 178.44 178.01 3b3o h GLU 608 N -0.20 0.16 -0.00 1.13 5.08 -1.99 0.65 114.58 119.42 3b3o h GLU 608 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3b3o h GLU 608 Cb 0.41 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3b3o h GLU 608 CO -0.38 0.11 0.00 1.49 -1.00 0.00 0.00 179.01 179.23 3b3o h GLU 609 N 0.17 0.00 0.00 2.33 4.81 -1.83 -0.93 114.58 119.13 3b3o h GLU 609 Ca 0.28 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3b3o h GLU 609 Cb 0.42 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3b3o h GLU 609 CO -0.42 0.20 -0.10 0.28 -0.73 0.00 0.00 179.01 178.24 3b3o h VAL 610 N -0.20 0.89 0.07 0.32 2.07 -0.73 -1.92 116.25 116.75 3b3o h VAL 610 Ca 0.00 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3b3o h VAL 610 Cb 0.20 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3b3o h VAL 610 CO -0.00 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.66 3b3o h ALA 611 N 1.90 -0.09 0.05 1.67 0.00 0.89 -2.80 119.26 120.88 3b3o h ALA 611 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3b3o h ALA 611 Cb 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3b3o h ALA 611 CO 0.01 -0.41 -0.32 0.87 0.00 0.00 0.00 179.25 179.41 3b3o h LYS 612 N -0.38 -0.48 -0.33 0.00 1.57 -0.47 -1.03 116.57 115.45 3b3o h LYS 612 Ca -0.01 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 3b3o h LYS 612 Cb 0.33 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3b3o h LYS 612 CO 0.02 -0.32 0.49 0.87 -0.57 0.00 0.00 179.45 179.93 3b3o h LYS 613 N -0.50 0.00 0.00 3.15 1.79 -1.38 0.58 116.57 120.21 3b3o h LYS 613 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3b3o h LYS 613 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3b3o h LYS 613 CO -0.23 0.00 -0.81 -1.33 -1.08 0.00 0.00 179.45 176.00 3b3o n MET 614 N -3.42 0.10 -3.32 3.15 2.81 -0.45 -4.98 117.12 111.01 3b3o n MET 614 Ca 0.06 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.77 3b3o n MET 614 Cb 0.63 -1.53 0.07 0.00 -0.71 0.00 0.00 33.22 31.68 3b3o n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3b3o n ASP 615 N -1.65 -4.13 -4.86 7.83 2.03 0.20 -5.01 116.55 110.95 3b3o n ASP 615 Ca 0.04 -0.48 -0.31 0.00 0.52 0.00 0.00 54.79 54.56 3b3o n ASP 615 Cb 0.37 -4.30 -0.04 0.00 -0.72 0.00 0.00 41.12 36.43 3b3o n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3b3o s LEU 616 N -5.98 3.81 -1.15 -2.67 1.43 -1.19 -4.96 118.68 107.97 3b3o s LEU 616 Ca 0.28 1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 54.44 3b3o s LEU 616 Cb -0.12 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 41.96 3b3o s LEU 616 CO 0.61 -0.42 1.73 -0.62 0.23 0.00 0.00 176.35 177.87 3b3o s ASP 617 N -3.02 6.15 0.00 2.29 3.68 -1.26 -4.73 116.67 119.78 3b3o s ASP 617 Ca 0.54 -1.78 0.05 0.00 2.13 0.00 0.00 52.55 53.49 3b3o s ASP 617 Cb -0.10 -2.58 0.32 0.00 -1.45 0.00 0.00 42.92 39.11 3b3o s ASP 617 CO 0.29 -1.86 1.12 0.23 0.13 0.00 0.00 175.17 175.08 3b3o n MET 618 N 8.57 0.90 -0.01 4.34 2.81 -1.26 -3.74 117.12 128.73 3b3o n MET 618 Ca 0.43 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.19 3b3o n MET 618 Cb 0.48 -1.09 -0.09 0.00 -0.71 0.00 0.00 33.22 31.81 3b3o n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3b3o h ARG 619 N 0.00 0.06 -5.78 0.03 3.08 -2.04 -3.44 114.38 106.29 3b3o h ARG 619 Ca 0.00 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.36 3b3o h ARG 619 Cb 0.00 -0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.79 3b3o h ARG 619 CO 0.00 0.40 -0.77 -1.59 -1.07 0.00 0.00 179.97 176.94 3b3o s LYS 620 N -4.75 2.97 0.42 0.04 -2.85 -1.25 -5.02 119.74 109.31 3b3o s LYS 620 Ca -0.15 -0.70 0.09 0.00 -1.00 0.00 0.00 55.97 54.21 3b3o s LYS 620 Cb 0.03 -2.50 0.88 0.00 -2.06 0.00 0.00 37.83 34.18 3b3o s LYS 620 CO 0.68 0.40 2.03 1.79 0.10 0.00 0.00 175.35 180.35 3b3o h THR 621 N 4.93 1.11 0.00 3.79 1.35 -1.88 -2.31 112.91 119.89 3b3o h THR 621 Ca -0.35 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3b3o h THR 621 Cb 1.19 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3b3o h THR 621 CO 0.53 0.13 0.00 -1.54 -0.25 0.00 0.00 175.52 174.39 3b3o n SER 622 N -4.43 0.00 -0.00 5.36 3.41 -1.26 -0.94 113.62 115.77 3b3o n SER 622 Ca 0.01 -0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.64 3b3o n SER 622 Cb 0.12 -0.15 0.48 0.00 -0.26 0.00 0.00 64.21 64.41 3b3o n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b3o n SER 623 N -1.15 0.19 -3.64 4.04 3.41 -0.87 -4.92 113.62 110.68 3b3o n SER 623 Ca 0.07 0.21 -0.25 0.00 -0.26 0.00 0.00 58.87 58.64 3b3o n SER 623 Cb 0.07 -0.22 0.07 0.00 -0.26 0.00 0.00 64.21 63.87 3b3o n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3b3o n LEU 624 N -1.50 -3.26 -0.17 1.04 4.77 -0.11 -4.91 117.00 112.86 3b3o n LEU 624 Ca 0.07 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 3b3o n LEU 624 Cb 0.34 -2.96 0.02 0.00 -2.33 0.00 0.00 43.42 38.48 3b3o n LEU 624 CO 0.30 0.62 0.73 4.11 -1.33 0.00 0.00 177.39 181.82 3b3o h TRP 625 N -2.60 1.14 -0.73 -1.77 5.08 -1.84 -1.41 115.95 113.82 3b3o h TRP 625 Ca -0.57 -0.25 0.07 0.00 1.08 0.00 0.00 58.89 59.23 3b3o h TRP 625 Cb 1.37 -0.28 -0.06 0.00 -3.00 0.00 0.00 29.16 27.19 3b3o h TRP 625 CO 0.51 1.07 0.41 0.87 -1.28 0.00 0.00 178.44 180.02 3b3o h LYS 626 N 0.90 0.71 -0.19 0.12 1.57 -1.90 -0.63 116.57 117.14 3b3o h LYS 626 Ca 0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3b3o h LYS 626 Cb 0.70 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3b3o h LYS 626 CO 0.05 0.47 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.95 3b3o h ASP 627 N 0.73 0.34 -0.35 0.86 5.19 -1.87 -0.42 116.42 120.89 3b3o h ASP 627 Ca 0.34 -0.33 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3b3o h ASP 627 Cb 0.25 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 3b3o h ASP 627 CO -0.21 0.59 0.18 1.56 -3.12 0.00 0.00 179.24 178.24 3b3o h GLN 628 N 0.09 0.36 -0.47 3.56 4.20 -0.86 -1.78 115.11 120.19 3b3o h GLN 628 Ca 0.05 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 3b3o h GLN 628 Cb 0.42 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3b3o h GLN 628 CO 0.01 0.24 -0.03 0.00 -0.67 0.00 0.00 178.83 178.38 3b3o h ALA 629 N 1.18 1.07 0.02 3.87 0.00 -1.10 -2.73 119.26 121.57 3b3o h ALA 629 Ca 0.15 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3b3o h ALA 629 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3b3o h ALA 629 CO -0.10 0.58 -0.15 1.25 0.00 0.00 0.00 179.25 180.83 3b3o h LEU 630 N 0.74 -0.44 -0.26 0.00 5.85 -0.38 -0.88 115.31 119.94 3b3o h LEU 630 Ca 0.14 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3b3o h LEU 630 Cb 0.49 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3b3o h LEU 630 CO 0.02 -0.21 -0.13 0.58 -0.34 0.00 0.00 178.44 178.36 3b3o h VAL 631 N -0.26 0.59 -0.22 1.05 2.07 -1.14 -1.91 116.25 116.43 3b3o h VAL 631 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3b3o h VAL 631 Cb 0.32 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3b3o h VAL 631 CO -0.14 0.00 0.01 -0.33 0.02 0.00 0.00 177.57 177.13 3b3o h GLU 632 N -0.10 0.07 -0.90 1.57 4.39 -1.17 0.49 114.58 118.92 3b3o h GLU 632 Ca 0.14 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.97 3b3o h GLU 632 Cb 0.31 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 3b3o h GLU 632 CO -0.32 0.05 0.58 0.82 -1.16 0.00 0.00 179.01 178.97 3b3o h ILE 633 N 0.08 0.86 0.00 3.13 2.04 -0.78 -0.67 117.51 122.16 3b3o h ILE 633 Ca 0.10 -0.26 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 3b3o h ILE 633 Cb 0.13 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 3b3o h ILE 633 CO -0.17 0.14 -0.85 0.78 0.00 0.00 0.00 178.15 178.04 3b3o h ASN 634 N 0.74 0.00 -0.09 1.72 2.35 -0.53 -2.90 115.58 116.88 3b3o h ASN 634 Ca 0.45 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.09 3b3o h ASN 634 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 3b3o h ASN 634 CO -0.21 0.85 -0.30 0.40 -1.65 0.00 0.00 177.43 176.52 3b3o h ILE 635 N 0.00 1.28 0.32 2.81 2.04 0.33 -2.88 117.51 121.41 3b3o h ILE 635 Ca -0.01 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 3b3o h ILE 635 Cb 1.54 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3b3o h ILE 635 CO 0.11 0.45 -0.15 0.00 0.00 0.00 0.00 178.15 178.55 3b3o h ALA 636 N 1.19 -0.43 -0.00 1.87 0.00 -1.11 -1.34 119.26 119.43 3b3o h ALA 636 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3b3o h ALA 636 Cb 0.77 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3b3o h ALA 636 CO 0.06 -0.69 -0.54 0.28 0.00 0.00 0.00 179.25 178.36 3b3o h VAL 637 N -0.52 0.00 -0.83 0.00 2.07 -1.47 0.65 116.25 116.15 3b3o h VAL 637 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 3b3o h VAL 637 Cb 0.39 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 3b3o h VAL 637 CO 0.07 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 178.05 3b3o h LEU 638 N -0.68 0.64 0.41 2.57 3.38 -1.53 -1.00 115.31 119.11 3b3o h LEU 638 Ca 0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3b3o h LEU 638 Cb 0.73 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3b3o h LEU 638 CO -0.36 0.35 -0.21 0.22 0.09 0.00 0.00 178.44 178.52 3b3o h TYR 639 N 0.75 -0.55 0.35 1.13 3.20 0.00 -0.65 116.97 121.21 3b3o h TYR 639 Ca 0.41 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.27 3b3o h TYR 639 Cb 0.43 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3b3o h TYR 639 CO -0.07 -0.34 -0.38 0.77 -1.64 0.00 0.00 178.16 176.50 3b3o h SER 640 N -0.57 -1.05 -0.61 -2.11 0.02 0.77 0.11 113.55 110.11 3b3o h SER 640 Ca -0.05 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 3b3o h SER 640 Cb 0.45 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 63.28 3b3o h SER 640 CO 0.08 -0.52 0.25 -0.26 -1.14 0.00 0.00 176.83 175.23 3b3o h PHE 641 N -0.77 0.43 -0.32 3.45 -1.00 -1.20 -1.22 116.94 116.31 3b3o h PHE 641 Ca -0.02 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 3b3o h PHE 641 Cb 0.70 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 3b3o h PHE 641 CO -0.23 0.13 0.13 1.96 -1.61 0.00 0.00 178.31 178.69 3b3o h GLN 642 N 0.44 0.49 0.27 1.51 4.20 -0.95 0.21 115.11 121.28 3b3o h GLN 642 Ca 0.30 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3b3o h GLN 642 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3b3o h GLN 642 CO -0.28 0.50 -0.27 0.77 -0.67 0.00 0.00 178.83 178.87 3b3o h SER 643 N 0.38 -0.72 0.00 1.46 0.02 -0.23 0.03 113.55 114.49 3b3o h SER 643 Ca 0.11 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3b3o h SER 643 Cb 0.19 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3b3o h SER 643 CO -0.01 -0.39 0.00 0.47 -1.14 0.00 0.00 176.83 175.76 3b3o n ASP 644 N -5.39 0.00 -1.95 3.07 8.00 -0.51 -4.86 116.55 114.91 3b3o n ASP 644 Ca -0.09 -0.73 -0.18 0.00 0.71 0.00 0.00 54.79 54.51 3b3o n ASP 644 Cb 0.30 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 3b3o n ASP 644 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3b3o n LYS 645 N -0.79 -1.39 -3.39 -1.24 3.00 -0.00 -5.00 118.16 109.34 3b3o n LYS 645 Ca 0.07 0.88 -0.37 0.00 -0.00 0.00 0.00 58.31 58.89 3b3o n LYS 645 Cb 0.03 -5.34 -0.07 0.00 0.00 0.00 0.00 35.03 29.66 3b3o n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3b3o s VAL 646 N -2.86 5.23 0.18 3.15 1.01 0.66 -4.41 120.40 123.36 3b3o s VAL 646 Ca 0.00 0.79 -0.33 0.00 0.00 0.00 0.00 61.98 62.44 3b3o s VAL 646 Cb 0.00 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 3b3o s VAL 646 CO 0.00 0.33 1.38 0.41 0.00 0.00 0.00 175.10 177.22 3b3o n THR 647 N 3.77 0.53 -3.53 3.92 -1.04 0.37 -4.24 114.28 114.06 3b3o n THR 647 Ca -0.09 -0.13 -0.16 0.00 -2.04 0.00 0.00 64.05 61.63 3b3o n THR 647 Cb 0.52 -1.24 -0.05 0.00 -1.82 0.00 0.00 70.33 67.74 3b3o n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3b3o s ILE 648 N 0.25 0.01 -0.02 12.58 2.07 -1.26 -4.39 121.20 130.43 3b3o s ILE 648 Ca 0.75 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.95 3b3o s ILE 648 Cb -0.75 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 40.86 3b3o s ILE 648 CO 0.47 -0.04 -0.14 0.54 -1.91 0.00 0.00 174.94 173.85 3b3o s VAL 649 N -1.85 1.15 0.58 4.00 0.11 -0.47 -4.98 120.40 118.95 3b3o s VAL 649 Ca -0.08 -0.59 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 3b3o s VAL 649 Cb -0.01 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 3b3o s VAL 649 CO 0.04 0.33 0.97 1.51 -3.33 0.00 0.00 175.10 174.62 3b3o s ASP 650 N -0.10 6.24 0.59 3.54 -4.77 -1.26 0.07 116.67 120.98 3b3o s ASP 650 Ca 0.01 1.29 0.34 0.00 -3.30 0.00 0.00 52.55 50.89 3b3o s ASP 650 Cb -0.08 -2.41 1.83 0.00 -1.09 0.00 0.00 42.92 41.17 3b3o s ASP 650 CO 0.00 -0.79 2.20 1.12 0.70 0.00 0.00 175.17 178.41 3b3o h HIS 651 N -0.16 0.00 -0.03 2.11 2.07 -1.98 -0.93 115.15 116.23 3b3o h HIS 651 Ca -0.45 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.04 3b3o h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3b3o h HIS 651 CO 0.64 0.04 -0.12 0.45 -3.07 0.00 0.00 177.93 175.87 3b3o h HIS 652 N 0.00 0.19 -0.35 6.12 3.86 -1.97 -2.60 115.15 120.41 3b3o h HIS 652 Ca -0.00 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.01 3b3o h HIS 652 Cb 0.16 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3b3o h HIS 652 CO 0.00 0.75 -0.24 1.03 0.86 0.00 0.00 177.93 180.33 3b3o h SER 653 N -0.43 0.81 -0.62 2.45 0.87 -1.86 -2.15 113.55 112.63 3b3o h SER 653 Ca -0.01 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 3b3o h SER 653 Cb 0.76 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3b3o h SER 653 CO 0.03 1.07 0.29 0.00 -0.53 0.00 0.00 176.83 177.69 3b3o h ALA 654 N 0.76 0.79 -0.28 6.23 0.00 -1.28 0.04 119.26 125.53 3b3o h ALA 654 Ca 0.07 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3b3o h ALA 654 Cb 0.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3b3o h ALA 654 CO 0.07 0.36 -0.53 1.79 0.00 0.00 0.00 179.25 180.94 3b3o h THR 655 N 0.84 1.28 -0.83 0.00 1.35 -1.48 -0.81 112.91 113.26 3b3o h THR 655 Ca 0.21 -1.72 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3b3o h THR 655 Cb 0.13 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 3b3o h THR 655 CO -0.03 0.56 0.50 -0.08 -0.25 0.00 0.00 175.52 176.22 3b3o h GLU 656 N 0.63 1.12 -0.83 4.72 4.81 -1.16 -1.78 114.58 122.10 3b3o h GLU 656 Ca 0.02 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3b3o h GLU 656 Cb 1.12 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 3b3o h GLU 656 CO 0.12 0.79 0.40 0.77 -0.73 0.00 0.00 179.01 180.35 3b3o h SER 657 N 1.13 1.08 -0.38 1.04 0.02 -0.63 -2.64 113.55 113.17 3b3o h SER 657 Ca 0.30 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3b3o h SER 657 Cb -0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3b3o h SER 657 CO -0.06 0.90 -0.01 0.15 -1.14 0.00 0.00 176.83 176.68 3b3o h PHE 658 N 1.18 0.82 -0.59 3.45 3.57 -0.53 -0.62 116.94 124.21 3b3o h PHE 658 Ca 0.28 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3b3o h PHE 658 Cb 0.11 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3b3o h PHE 658 CO 0.01 0.77 0.35 0.82 -2.23 0.00 0.00 178.31 178.03 3b3o h ILE 659 N 0.72 1.18 -0.60 1.41 1.08 -1.01 0.13 117.51 120.42 3b3o h ILE 659 Ca 0.14 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3b3o h ILE 659 Cb 0.46 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 3b3o h ILE 659 CO 0.02 0.18 0.30 0.50 -0.69 0.00 0.00 178.15 178.46 3b3o h LYS 660 N 0.80 0.85 -0.51 2.37 3.64 -1.11 -1.91 116.57 120.71 3b3o h LYS 660 Ca 0.21 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3b3o h LYS 660 Cb -0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3b3o h LYS 660 CO -0.04 0.68 0.33 1.25 -2.27 0.00 0.00 179.45 179.40 3b3o h HIS 661 N 0.81 0.64 -0.10 1.91 2.76 -0.39 -0.24 115.15 120.54 3b3o h HIS 661 Ca 0.21 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3b3o h HIS 661 Cb 0.10 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 3b3o h HIS 661 CO -0.00 0.42 -0.06 0.52 -1.30 0.00 0.00 177.93 177.51 3b3o h MET 662 N 0.68 -0.06 -0.18 5.26 2.86 -0.43 0.22 114.93 123.29 3b3o h MET 662 Ca 0.18 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3b3o h MET 662 Cb -0.06 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3b3o h MET 662 CO -0.04 -0.04 -0.06 0.93 1.06 0.00 0.00 176.91 178.77 3b3o h GLU 663 N -0.06 -0.02 -0.24 1.72 5.08 -1.02 0.50 114.58 120.54 3b3o h GLU 663 Ca 0.06 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3b3o h GLU 663 Cb 0.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3b3o h GLU 663 CO -0.14 -0.01 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.89 3b3o h ASN 664 N -0.02 -0.22 -0.87 1.42 2.35 -0.51 -1.64 115.58 116.11 3b3o h ASN 664 Ca 0.09 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3b3o h ASN 664 Cb 0.16 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3b3o h ASN 664 CO -0.20 -0.08 0.57 -0.33 -1.65 0.00 0.00 177.43 175.74 3b3o h GLU 665 N 0.01 1.12 -0.47 0.81 4.39 0.26 -0.29 114.58 120.41 3b3o h GLU 665 Ca 0.12 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3b3o h GLU 665 Cb 0.18 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3b3o h GLU 665 CO -0.25 0.74 0.14 1.88 -1.16 0.00 0.00 179.01 180.37 3b3o h TYR 666 N 1.15 0.76 -0.06 4.33 -1.99 0.44 0.23 116.97 121.83 3b3o h TYR 666 Ca 0.32 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.97 3b3o h TYR 666 Cb -0.10 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.41 3b3o h TYR 666 CO -0.01 0.68 0.00 2.89 -0.00 0.00 0.00 178.16 181.72 3b3o n ARG 667 N -4.52 1.40 0.00 4.88 1.85 -0.66 -1.88 116.66 117.73 3b3o n ARG 667 Ca 0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 57.85 56.27 3b3o n ARG 667 Cb 0.19 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 3b3o n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3b3o n ARG 669 N -1.04 0.57 -0.52 0.00 0.63 0.77 -5.02 116.66 112.05 3b3o n ARG 669 Ca 0.00 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 3b3o n ARG 669 Cb 0.00 -0.40 0.00 0.00 0.45 0.00 0.00 32.46 32.51 3b3o n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b3o n GLY 670 N 0.10 0.74 0.00 5.14 0.00 -0.79 -4.52 105.19 105.86 3b3o n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b3o n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3o n GLY 671 N -2.44 -0.36 3.07 -0.02 0.00 -1.05 -0.75 105.19 103.65 3b3o n GLY 671 Ca 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 3b3o n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3o n PRO 673 N 5.41 2.65 -3.70 0.00 -0.04 -1.26 -4.66 135.00 133.39 3b3o n PRO 673 Ca 0.00 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3b3o n PRO 673 Cb 0.51 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.20 3b3o n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3o s ALA 674 N -0.57 -1.21 -0.54 0.55 0.00 -0.22 -4.33 121.76 115.45 3b3o s ALA 674 Ca 0.59 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.87 3b3o s ALA 674 Cb -0.49 -0.86 0.13 0.00 0.00 0.00 0.00 23.12 21.90 3b3o s ALA 674 CO 0.56 -0.24 0.47 0.34 0.00 0.00 0.00 175.76 176.89 3b3o s ASP 675 N 0.54 6.06 0.26 0.00 3.68 0.46 -3.55 116.67 124.12 3b3o s ASP 675 Ca -0.02 -1.91 -0.02 0.00 2.13 0.00 0.00 52.55 52.73 3b3o s ASP 675 Cb -0.04 -2.14 0.53 0.00 -1.45 0.00 0.00 42.92 39.81 3b3o s ASP 675 CO -0.03 -0.78 1.72 -0.25 0.13 0.00 0.00 175.17 175.96 3b3o h TRP 676 N 8.65 0.53 -0.74 -5.34 7.01 -1.91 0.74 115.95 124.89 3b3o h TRP 676 Ca -0.24 0.04 0.14 0.00 2.11 0.00 0.00 58.89 60.93 3b3o h TRP 676 Cb 1.08 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.98 3b3o h TRP 676 CO 0.72 0.03 0.49 0.28 -2.79 0.00 0.00 178.44 177.17 3b3o h VAL 677 N 0.42 0.83 0.01 2.65 2.07 -1.92 -2.05 116.25 118.26 3b3o h VAL 677 Ca 0.45 -0.16 -0.32 0.00 0.82 0.00 0.00 66.70 67.49 3b3o h VAL 677 Cb 0.74 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3b3o h VAL 677 CO -0.45 0.08 -1.95 0.79 0.02 0.00 0.00 177.57 176.06 3b3o n TRP 678 N -4.48 0.68 -0.09 1.57 7.02 -0.53 -4.51 117.44 117.09 3b3o n TRP 678 Ca 0.14 0.24 -0.14 0.00 -1.02 0.00 0.00 57.50 56.71 3b3o n TRP 678 Cb 0.48 -1.12 -0.04 0.00 -2.42 0.00 0.00 31.31 28.21 3b3o n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3b3o h ILE 679 N 0.00 1.28 -2.78 -0.99 1.08 -0.41 -3.42 117.51 112.27 3b3o h ILE 679 Ca -0.38 -1.62 -0.55 0.00 -0.39 0.00 0.00 64.86 61.92 3b3o h ILE 679 Cb 2.08 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 37.38 3b3o h ILE 679 CO 0.06 0.53 0.96 -0.69 -0.69 0.00 0.00 178.15 178.32 3b3o s VAL 680 N -4.25 3.75 0.66 1.67 1.01 -0.81 -4.92 120.40 117.50 3b3o s VAL 680 Ca -0.11 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 3b3o s VAL 680 Cb 0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3b3o s VAL 680 CO 0.87 -0.06 0.82 -2.65 0.00 0.00 0.00 175.10 174.09 3b3o n PRO 681 N 6.35 0.61 0.00 2.72 -0.02 -1.26 -4.89 135.00 138.51 3b3o n PRO 681 Ca 0.15 0.25 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 3b3o n PRO 681 Cb 0.43 -2.06 0.18 0.00 -0.02 0.00 0.00 33.50 32.03 3b3o n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3b3o n PRO 682 N -1.09 0.64 -3.80 0.52 -0.04 -1.26 -4.35 135.00 125.63 3b3o n PRO 682 Ca 0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3b3o n PRO 682 Cb 0.49 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.71 3b3o n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3o s MET 683 N -2.00 0.60 -1.27 0.54 0.23 -1.26 -4.92 119.30 111.23 3b3o s MET 683 Ca 0.09 -0.27 -0.05 0.00 -1.03 0.00 0.00 55.69 54.42 3b3o s MET 683 Cb 0.04 0.26 0.04 0.00 -1.53 0.00 0.00 34.83 33.64 3b3o s MET 683 CO 0.07 -0.16 0.34 0.43 -2.03 0.00 0.00 175.02 173.67 3b3o n SER 684 N 1.33 -4.25 -0.21 -1.18 7.64 -1.26 -4.89 113.62 110.81 3b3o n SER 684 Ca -0.22 -0.17 -0.05 0.00 1.01 0.00 0.00 58.87 59.43 3b3o n SER 684 Cb 0.56 -3.53 -0.05 0.00 -1.01 0.00 0.00 64.21 60.18 3b3o n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b3o n GLY 685 N -1.11 -2.31 0.05 0.23 0.00 -1.26 -1.65 105.19 99.13 3b3o n GLY 685 Ca -0.08 0.78 0.08 0.00 0.00 0.00 0.00 46.02 46.80 3b3o n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b3o n SER 686 N -4.13 0.24 -0.59 1.61 3.41 -1.26 -1.94 113.62 110.96 3b3o n SER 686 Ca 0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3b3o n SER 686 Cb 0.13 -0.62 0.40 0.00 -0.26 0.00 0.00 64.21 63.86 3b3o n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3b3o n ILE 687 N -1.77 0.15 -3.99 -1.33 -5.35 -0.66 -4.81 119.36 101.60 3b3o n ILE 687 Ca 0.02 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.84 3b3o n ILE 687 Cb 0.16 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 38.50 3b3o n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3b3o s THR 688 N -1.85 4.95 0.39 7.28 -4.23 -0.82 -5.03 115.64 116.34 3b3o s THR 688 Ca 0.34 -0.54 0.10 0.00 -1.18 0.00 0.00 61.69 60.42 3b3o s THR 688 Cb 0.19 -3.38 0.16 0.00 1.34 0.00 0.00 72.50 70.81 3b3o s THR 688 CO 0.29 0.17 1.92 1.55 -0.54 0.00 0.00 174.62 178.01 3b3o h PRO 689 N 3.33 0.19 0.00 3.99 0.13 -1.87 -3.03 132.00 134.74 3b3o h PRO 689 Ca -0.46 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3b3o h PRO 689 Cb 1.17 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3b3o h PRO 689 CO 0.70 0.35 -0.03 -0.39 -0.23 0.00 0.00 178.00 178.40 3b3o h VAL 690 N 0.18 0.65 -0.98 1.56 -1.51 -1.89 -1.78 116.25 112.48 3b3o h VAL 690 Ca 0.03 -0.12 0.04 0.00 -1.23 0.00 0.00 66.70 65.43 3b3o h VAL 690 Cb 0.39 1.07 -0.06 0.00 -2.13 0.00 0.00 31.29 30.56 3b3o h VAL 690 CO 0.02 0.03 0.64 0.15 -1.23 0.00 0.00 177.57 177.18 3b3o h PHE 691 N 0.00 1.19 -0.25 5.19 3.57 -1.72 -1.46 116.94 123.46 3b3o h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3b3o h PHE 691 Cb 0.07 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.41 3b3o h PHE 691 CO 0.00 0.67 0.00 0.72 -2.23 0.00 0.00 178.31 177.47 3b3o n HIS 692 N -4.45 0.33 -3.64 0.41 8.25 -0.68 -4.84 115.22 110.61 3b3o n HIS 692 Ca 0.14 -0.17 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 3b3o n HIS 692 Cb 0.12 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 3b3o n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3b3o s GLN 693 N -1.67 3.43 0.35 -0.41 2.00 -0.55 -1.00 119.66 121.81 3b3o s GLN 693 Ca 0.27 -0.66 -0.28 0.00 -2.00 0.00 0.00 55.36 52.69 3b3o s GLN 693 Cb 0.14 -3.59 -0.10 0.00 0.80 0.00 0.00 33.01 30.26 3b3o s GLN 693 CO 0.20 -0.38 1.31 -1.21 -0.50 0.00 0.00 175.29 174.70 3b3o s GLU 694 N 1.64 4.27 0.06 1.67 2.02 -0.69 -4.99 118.70 122.68 3b3o s GLU 694 Ca 0.05 2.21 0.03 0.00 0.02 0.00 0.00 54.97 57.28 3b3o s GLU 694 Cb -0.17 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 3b3o s GLU 694 CO 0.07 -0.26 -0.10 -1.64 0.02 0.00 0.00 175.26 173.36 3b3o s MET 695 N -1.90 0.64 -0.12 1.61 -1.94 -1.26 -4.64 119.30 111.69 3b3o s MET 695 Ca 0.51 -0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 53.61 3b3o s MET 695 Cb -0.39 -0.45 -0.02 0.00 2.01 0.00 0.00 34.83 35.98 3b3o s MET 695 CO 0.52 0.08 -0.09 -0.51 -0.01 0.00 0.00 175.02 175.02 3b3o s LEU 696 N -1.76 2.99 -0.15 -0.03 1.43 -1.26 -4.92 118.68 114.99 3b3o s LEU 696 Ca -0.06 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3b3o s LEU 696 Cb -0.09 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3b3o s LEU 696 CO 0.01 0.21 -0.08 0.21 0.23 0.00 0.00 176.35 176.93 3b3o s ASN 697 N 0.09 4.43 0.12 2.29 3.04 -1.23 -1.05 114.94 122.64 3b3o s ASN 697 Ca -0.03 -0.23 -0.20 0.00 0.04 0.00 0.00 52.86 52.43 3b3o s ASN 697 Cb -0.14 -1.71 0.05 0.00 -1.54 0.00 0.00 41.25 37.91 3b3o s ASN 697 CO 0.04 0.15 0.51 -0.72 -3.04 0.00 0.00 177.10 174.03 3b3o s TYR 698 N 0.46 -0.38 -0.24 0.43 -0.85 -1.26 -4.96 117.35 110.55 3b3o s TYR 698 Ca -0.06 0.18 -0.08 0.00 -0.52 0.00 0.00 57.07 56.59 3b3o s TYR 698 Cb -0.15 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3b3o s TYR 698 CO 0.04 -0.75 0.10 1.03 -1.52 0.00 0.00 175.55 174.45 3b3o s ARG 699 N -3.50 3.84 0.22 -3.49 0.52 -1.26 -4.80 118.95 110.47 3b3o s ARG 699 Ca 0.00 -0.39 0.09 0.00 -0.52 0.00 0.00 55.73 54.92 3b3o s ARG 699 Cb 0.00 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3b3o s ARG 699 CO -0.10 -0.04 -0.07 -0.51 0.02 0.00 0.00 175.30 174.60 3b3o s LEU 700 N 1.25 3.04 0.11 2.53 1.43 -1.26 -3.35 118.68 122.43 3b3o s LEU 700 Ca 0.06 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3b3o s LEU 700 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3b3o s LEU 700 CO 0.05 0.06 -0.24 0.28 0.23 0.00 0.00 176.35 176.73 3b3o s THR 701 N -2.00 1.95 0.77 5.49 -1.32 -1.26 -4.26 115.64 115.01 3b3o s THR 701 Ca 0.28 -1.63 -0.15 0.00 -1.21 0.00 0.00 61.69 58.97 3b3o s THR 701 Cb -0.08 -1.75 0.02 0.00 -1.51 0.00 0.00 72.50 69.19 3b3o s THR 701 CO 0.17 0.01 0.92 -2.65 -2.21 0.00 0.00 174.62 170.86 3b3o n PRO 702 N 1.02 0.31 -3.91 7.08 -0.02 -1.26 -5.00 135.00 133.21 3b3o n PRO 702 Ca -0.19 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 3b3o n PRO 702 Cb 0.53 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 3b3o n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3b3o s SER 703 N -1.79 -0.13 -0.15 2.55 1.04 -0.89 -3.74 113.70 110.59 3b3o s SER 703 Ca 0.71 -0.77 -0.04 0.00 0.48 0.00 0.00 55.95 56.33 3b3o s SER 703 Cb -0.32 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3b3o s SER 703 CO 0.53 -1.10 -0.02 -0.36 0.98 0.00 0.00 173.24 173.28 3b3o s PHE 704 N -3.96 3.08 0.18 5.02 0.40 -1.26 -1.41 117.98 120.03 3b3o s PHE 704 Ca 0.17 -0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 3b3o s PHE 704 Cb -0.01 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 3b3o s PHE 704 CO 0.04 0.06 -0.10 -1.21 0.70 0.00 0.00 175.22 174.72 3b3o s GLU 705 N 0.20 1.21 0.58 0.44 0.41 -0.17 -4.94 118.70 116.44 3b3o s GLU 705 Ca -0.01 -1.55 -0.08 0.00 -0.41 0.00 0.00 54.97 52.92 3b3o s GLU 705 Cb -0.13 -0.81 -0.02 0.00 -1.78 0.00 0.00 34.13 31.39 3b3o s GLU 705 CO 0.02 0.08 0.94 0.71 -0.49 0.00 0.00 175.26 176.52 3b3o s TYR 706 N -3.21 3.49 0.03 1.61 1.51 -1.26 -0.90 117.35 118.62 3b3o s TYR 706 Ca 0.21 0.97 -0.12 0.00 -1.01 0.00 0.00 57.07 57.12 3b3o s TYR 706 Cb 0.02 -2.64 0.01 0.00 -0.11 0.00 0.00 41.96 39.24 3b3o s TYR 706 CO 0.04 -0.66 0.26 1.14 -1.11 0.00 0.00 175.55 175.23 3b3o s GLN 707 N -5.03 0.74 0.36 -0.62 -2.07 -1.26 -4.77 119.66 107.01 3b3o s GLN 707 Ca 0.53 -0.51 -0.27 0.00 -1.82 0.00 0.00 55.36 53.29 3b3o s GLN 707 Cb -0.11 0.32 -0.12 0.00 -1.09 0.00 0.00 33.01 32.01 3b3o s GLN 707 CO 0.49 -0.23 1.24 -2.30 -1.32 0.00 0.00 175.29 173.18 3b3o n PRO 708 N 0.72 1.97 -1.74 9.60 -0.02 -1.26 -4.89 135.00 139.39 3b3o n PRO 708 Ca -0.19 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3b3o n PRO 708 Cb 0.59 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3b3o n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3b3o n ASP 709 N 0.69 3.71 -0.33 2.55 8.00 -1.26 -4.87 116.55 125.04 3b3o n ASP 709 Ca 0.06 1.15 0.05 0.00 0.71 0.00 0.00 54.79 56.76 3b3o n ASP 709 Cb 0.36 -1.57 0.21 0.00 -0.02 0.00 0.00 41.12 40.10 3b3o n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3b3o h PRO 710 N 4.68 0.86 0.00 -0.24 0.13 -1.92 -1.68 132.00 133.84 3b3o h PRO 710 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3b3o h PRO 710 Cb 1.23 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3b3o h PRO 710 CO 0.79 0.57 0.00 -2.67 -0.23 0.00 0.00 178.00 176.46 3b3o n TRP 711 N -4.68 0.00 -1.09 1.56 2.14 -1.26 -0.35 117.44 113.75 3b3o n TRP 711 Ca 0.17 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.81 3b3o n TRP 711 Cb 0.33 -0.17 0.23 0.00 -0.81 0.00 0.00 31.31 30.88 3b3o n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 3b3o n ASN 712 N -1.17 3.33 0.00 -0.67 3.02 -0.63 -4.57 115.26 114.57 3b3o n ASN 712 Ca 0.02 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 3b3o n ASN 712 Cb 0.02 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3b3o n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3b3o n THR 713 N -0.81 0.00 -2.45 3.41 -1.04 0.52 -4.97 114.28 108.95 3b3o n THR 713 Ca 0.22 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.80 3b3o n THR 713 Cb 0.86 0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 69.59 3b3o n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3b3o s HIS 714 N 0.00 2.86 -1.09 -1.42 5.04 0.08 -4.95 115.29 115.81 3b3o s HIS 714 Ca 0.00 1.02 -0.17 0.00 -1.54 0.00 0.00 55.06 54.37 3b3o s HIS 714 Cb 0.00 -3.59 0.13 0.00 0.04 0.00 0.00 32.58 29.16 3b3o s HIS 714 CO 0.00 -1.57 1.35 0.14 -2.34 0.00 0.00 174.74 172.33 3b3o s VAL 715 N 3.71 4.69 -0.94 0.89 -7.23 -1.26 -5.03 120.40 115.23 3b3o s VAL 715 Ca 0.54 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3b3o s VAL 715 Cb -0.19 -4.91 0.00 0.00 0.56 0.00 0.00 36.38 31.83 3b3o s VAL 715 CO 0.16 -1.66 0.23 0.79 -0.31 0.00 0.00 175.10 174.32