#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsp s PHE 300 N 0.00 2.96 -0.09 -0.14 0.08 -1.26 -4.89 117.98 114.64 3hsp s PHE 300 Ca 0.00 -1.24 -0.02 0.00 0.12 0.00 0.00 56.93 55.79 3hsp s PHE 300 Cb 0.00 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3hsp s PHE 300 CO 0.00 -0.65 0.01 -0.51 -0.10 0.00 0.00 175.22 173.97 3hsp s LEU 301 N 1.40 3.62 -0.08 -0.37 1.43 -0.87 -4.91 118.68 118.91 3hsp s LEU 301 Ca 0.04 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3hsp s LEU 301 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3hsp s LEU 301 CO -0.05 0.38 0.11 -0.54 0.23 0.00 0.00 176.35 176.48 3hsp s LYS 302 N -0.90 3.29 -0.06 1.70 -0.14 -1.26 0.77 119.74 123.14 3hsp s LYS 302 Ca 0.13 -0.27 0.04 0.00 -1.36 0.00 0.00 55.97 54.51 3hsp s LYS 302 Cb -0.11 -3.04 -0.00 0.00 -1.68 0.00 0.00 37.83 32.99 3hsp s LYS 302 CO 0.02 0.73 -0.19 0.14 -0.76 0.00 0.00 175.35 175.29 3hsp s VAL 303 N -1.08 1.59 -0.05 3.17 -7.23 -0.08 -4.96 120.40 111.76 3hsp s VAL 303 Ca 0.18 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.59 3hsp s VAL 303 Cb -0.12 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3hsp s VAL 303 CO 0.08 0.45 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.43 3hsp s LYS 304 N 0.15 2.55 -0.16 4.82 2.20 -1.26 -0.57 119.74 127.47 3hsp s LYS 304 Ca -0.08 -0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 54.68 3hsp s LYS 304 Cb -0.14 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 3hsp s LYS 304 CO 0.04 0.61 0.41 1.21 -0.36 0.00 0.00 175.35 177.26 3hsp s ASN 305 N -0.70 6.55 0.00 1.43 3.84 -0.17 -2.04 114.94 123.85 3hsp s ASN 305 Ca 0.11 0.65 0.26 0.00 0.21 0.00 0.00 52.86 54.08 3hsp s ASN 305 Cb -0.11 -2.25 0.63 0.00 -0.55 0.00 0.00 41.25 38.97 3hsp s ASN 305 CO 0.01 -0.00 1.49 0.79 -2.79 0.00 0.00 177.10 176.59 3hsp n TRP 306 N 3.92 0.00 -0.08 0.43 7.02 0.02 -0.64 117.44 128.10 3hsp n TRP 306 Ca -0.08 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.21 3hsp n TRP 306 Cb 0.51 -0.12 -0.12 0.00 -2.42 0.00 0.00 31.31 29.16 3hsp n TRP 306 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3hsp h GLU 307 N 1.19 0.02 -0.00 -0.99 5.08 -1.95 -3.41 114.58 114.52 3hsp h GLU 307 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hsp h GLU 307 Cb 0.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hsp h GLU 307 CO 0.00 1.02 -0.85 0.25 -1.00 0.00 0.00 179.01 178.43 3hsp n THR 308 N -4.47 0.00 -0.57 1.13 -2.24 -1.24 -4.97 114.28 101.92 3hsp n THR 308 Ca -0.22 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3hsp n THR 308 Cb 0.61 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3hsp n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hsp n ASP 309 N -1.18 -1.48 -4.75 3.42 8.00 0.18 -4.95 116.55 115.79 3hsp n ASP 309 Ca 0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 3hsp n ASP 309 Cb 0.36 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.12 38.94 3hsp n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hsp n VAL 310 N -1.72 1.24 -5.11 2.53 0.31 -1.25 -4.77 118.33 109.55 3hsp n VAL 310 Ca 0.00 -0.31 -0.31 0.00 -0.01 0.00 0.00 64.34 63.71 3hsp n VAL 310 Cb 0.12 -1.94 -0.17 0.00 -0.91 0.00 0.00 33.84 30.94 3hsp n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hsp s VAL 311 N -0.25 1.90 0.14 2.52 1.01 -1.26 -1.00 120.40 123.46 3hsp s VAL 311 Ca 0.62 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3hsp s VAL 311 Cb -0.50 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3hsp s VAL 311 CO 0.52 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 175.31 3hsp s LEU 312 N 0.39 3.10 -0.19 3.92 1.43 0.26 -4.95 118.68 122.65 3hsp s LEU 312 Ca -0.18 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3hsp s LEU 312 Cb -0.18 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3hsp s LEU 312 CO 0.08 0.13 -0.03 -0.89 0.23 0.00 0.00 176.35 175.87 3hsp s THR 313 N -1.50 3.69 -0.28 5.49 2.01 -1.26 -0.91 115.64 122.89 3hsp s THR 313 Ca 0.24 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 3hsp s THR 313 Cb -0.10 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 3hsp s THR 313 CO 0.16 0.45 0.22 -0.62 -0.69 0.00 0.00 174.62 174.13 3hsp s ASP 314 N 0.95 6.06 -0.00 3.53 -1.08 0.23 -4.65 116.67 121.71 3hsp s ASP 314 Ca 0.00 0.04 0.07 0.00 -0.52 0.00 0.00 52.55 52.15 3hsp s ASP 314 Cb -0.15 -2.14 -0.09 0.00 -1.46 0.00 0.00 42.92 39.09 3hsp s ASP 314 CO 0.01 -0.07 0.22 0.35 0.52 0.00 0.00 175.17 176.20 3hsp n THR 315 N 5.07 0.00 0.27 1.71 -2.24 0.34 -2.04 114.28 117.38 3hsp n THR 315 Ca -0.13 -0.25 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 3hsp n THR 315 Cb 0.52 0.67 0.76 0.00 -2.10 0.00 0.00 70.33 70.17 3hsp n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hsp h LEU 316 N 0.00 0.00 -0.69 3.22 5.85 -1.54 -2.69 115.31 119.46 3hsp h LEU 316 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hsp h LEU 316 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3hsp h LEU 316 CO 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 3hsp n HIS 317 N -3.48 0.67 0.57 1.25 1.44 -1.26 -1.70 115.22 112.72 3hsp n HIS 317 Ca -0.01 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.10 3hsp n HIS 317 Cb 0.24 -0.95 0.45 0.00 0.12 0.00 0.00 29.99 29.85 3hsp n HIS 317 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3hsp n LEU 318 N -2.12 0.67 -0.86 2.39 4.77 -1.01 -2.41 117.00 118.43 3hsp n LEU 318 Ca 0.02 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 3hsp n LEU 318 Cb 0.19 -0.43 0.19 0.00 -2.33 0.00 0.00 43.42 41.04 3hsp n LEU 318 CO 0.17 -0.30 0.64 0.29 -1.33 0.00 0.00 177.39 176.86 3hsp n LYS 319 N -2.17 2.19 -2.53 3.23 5.02 -0.69 -4.94 118.16 118.28 3hsp n LYS 319 Ca 0.04 -1.52 -0.41 0.00 -2.02 0.00 0.00 58.31 54.40 3hsp n LYS 319 Cb 0.34 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 3hsp n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hsp s SER 320 N -0.88 7.25 0.00 4.39 0.15 -1.01 -4.85 113.70 118.74 3hsp s SER 320 Ca 0.28 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.93 3hsp s SER 320 Cb 0.16 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3hsp s SER 320 CO 0.16 -0.28 0.00 0.35 1.20 0.00 0.00 173.24 174.68 3hsp n THR 321 N 2.96 0.00 -1.39 6.45 -2.24 -1.00 -5.02 114.28 114.05 3hsp n THR 321 Ca 0.05 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 3hsp n THR 321 Cb 0.47 -0.93 0.14 0.00 -2.10 0.00 0.00 70.33 67.91 3hsp n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hsp s LEU 322 N -2.88 1.95 0.91 3.22 1.43 -1.26 -5.03 118.68 117.01 3hsp s LEU 322 Ca 0.00 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 3hsp s LEU 322 Cb 0.00 -3.43 0.14 0.00 0.03 0.00 0.00 46.19 42.93 3hsp s LEU 322 CO 0.00 -2.70 1.09 -1.61 0.23 0.00 0.00 176.35 173.37 3hsp s GLU 323 N -5.13 1.17 -0.06 1.70 8.01 -1.26 -4.66 118.70 118.46 3hsp s GLU 323 Ca 0.64 0.72 0.20 0.00 0.01 0.00 0.00 54.97 56.54 3hsp s GLU 323 Cb -0.16 -1.81 -0.30 0.00 -4.31 0.00 0.00 34.13 27.55 3hsp s GLU 323 CO 0.55 -2.28 0.38 0.25 0.01 0.00 0.00 175.26 174.17 3hsp n THR 324 N -3.89 0.24 0.00 3.63 -2.24 -1.26 -4.87 114.28 105.88 3hsp n THR 324 Ca 0.07 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3hsp n THR 324 Cb 0.56 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3hsp n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hsp n GLY 325 N 1.43 3.21 3.76 3.38 0.00 -1.26 -4.92 105.19 110.79 3hsp n GLY 325 Ca -0.09 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 3hsp n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsp n THR 327 N -0.72 0.00 -0.21 0.00 -2.24 -0.70 -5.00 114.28 105.41 3hsp n THR 327 Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 3hsp n THR 327 Cb 0.47 -0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.43 3hsp n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hsp h GLU 328 N 0.00 0.96 -0.01 -0.78 3.07 -2.05 -3.22 114.58 112.54 3hsp h GLU 328 Ca 0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3hsp h GLU 328 Cb 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3hsp h GLU 328 CO 0.00 0.89 -0.04 0.72 -1.40 0.00 0.00 179.01 179.18 3hsp n HIS 329 N -4.35 0.00 -3.63 4.33 8.25 -1.26 -4.89 115.22 113.67 3hsp n HIS 329 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 3hsp n HIS 329 Cb 0.25 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 3hsp n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3hsp s ILE 330 N -2.08 -0.81 -0.25 1.59 2.07 -1.22 -5.14 121.20 115.37 3hsp s ILE 330 Ca 0.35 0.08 -0.19 0.00 -1.41 0.00 0.00 60.65 59.49 3hsp s ILE 330 Cb 0.21 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 3hsp s ILE 330 CO 0.36 0.03 0.55 0.00 -1.91 0.00 0.00 174.94 173.97 3hsp n MET 332 N 5.44 2.05 0.26 0.00 2.81 -1.26 -4.78 117.12 121.64 3hsp n MET 332 Ca -0.03 -3.17 0.12 0.00 -1.81 0.00 0.00 57.70 52.80 3hsp n MET 332 Cb 0.50 -1.97 0.76 0.00 -0.71 0.00 0.00 33.22 31.80 3hsp n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3hsp h GLY 333 N 1.07 0.00 -1.62 3.03 0.00 -1.94 -2.07 103.07 101.54 3hsp h GLY 333 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3hsp h GLY 333 CO 0.68 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.08 3hsp n SER 334 N -4.24 2.68 -4.69 0.19 3.41 -1.26 -4.85 113.62 104.87 3hsp n SER 334 Ca -0.02 -1.89 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 3hsp n SER 334 Cb 0.11 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 3hsp n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hsp s ILE 335 N -1.97 4.38 0.17 -1.33 -1.09 -0.78 -4.98 121.20 115.61 3hsp s ILE 335 Ca 0.31 1.69 -0.07 0.00 -2.23 0.00 0.00 60.65 60.36 3hsp s ILE 335 Cb 0.20 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 3hsp s ILE 335 CO 0.31 0.01 1.50 -0.03 -1.23 0.00 0.00 174.94 175.50 3hsp h MET 336 N 7.34 0.74 -2.68 2.79 4.05 -1.91 -3.38 114.93 121.88 3hsp h MET 336 Ca -0.34 -0.42 -0.60 0.00 -0.28 0.00 0.00 59.70 58.07 3hsp h MET 336 Cb 1.16 0.03 -0.39 0.00 -0.80 0.00 0.00 31.60 31.59 3hsp h MET 336 CO 0.87 1.04 -0.82 -0.51 0.23 0.00 0.00 176.91 177.72 3hsp s LEU 337 N -8.63 2.35 -0.76 3.39 1.43 -1.26 -5.10 118.68 110.11 3hsp s LEU 337 Ca -0.09 -3.03 -0.24 0.00 -1.03 0.00 0.00 54.13 49.74 3hsp s LEU 337 Cb 0.11 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.58 3hsp s LEU 337 CO 0.86 -0.19 1.14 -2.16 0.23 0.00 0.00 176.35 176.23 3hsp s PRO 338 N -0.08 3.24 0.00 1.29 0.04 -1.26 -5.20 135.00 133.04 3hsp s PRO 338 Ca 0.26 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.52 3hsp s PRO 338 Cb -0.07 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.05 3hsp s PRO 338 CO -0.12 -1.96 0.00 -1.13 0.04 0.00 0.00 177.00 173.82 3hsp n SER 339 N 8.25 2.28 -4.86 6.66 3.41 -1.26 -4.65 113.62 123.45 3hsp n SER 339 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 3hsp n SER 339 Cb 0.48 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 3hsp n SER 339 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hsp s VAL 348 N 0.63 4.74 0.12 -3.33 0.11 -1.26 -5.23 120.40 116.17 3hsp s VAL 348 Ca 0.00 0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 59.52 3hsp s VAL 348 Cb 0.00 -3.66 -0.06 0.00 -1.53 0.00 0.00 36.38 31.12 3hsp s VAL 348 CO 0.00 -0.33 1.13 -0.13 -3.33 0.00 0.00 175.10 172.44 3hsp s ARG 349 N -3.36 4.52 0.83 1.54 0.52 -1.26 -5.03 118.95 116.71 3hsp s ARG 349 Ca 0.52 1.72 -0.11 0.00 -0.52 0.00 0.00 55.73 57.34 3hsp s ARG 349 Cb -0.10 -3.32 0.09 0.00 0.52 0.00 0.00 34.95 32.14 3hsp s ARG 349 CO 0.24 -0.07 1.09 0.95 0.02 0.00 0.00 175.30 177.52 3hsp s THR 350 N 0.39 3.02 0.27 0.02 -4.23 -1.26 -4.80 115.64 109.05 3hsp s THR 350 Ca 0.53 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 61.37 3hsp s THR 350 Cb -0.29 -2.89 0.25 0.00 1.34 0.00 0.00 72.50 70.91 3hsp s THR 350 CO 0.32 -0.43 1.76 0.11 -0.54 0.00 0.00 174.62 175.83 3hsp h LYS 351 N -1.28 0.59 -0.03 3.99 1.57 -1.94 -0.61 116.57 118.86 3hsp h LYS 351 Ca -0.47 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.11 3hsp h LYS 351 Cb 1.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3hsp h LYS 351 CO 0.55 0.39 -0.71 -0.44 -0.57 0.00 0.00 179.45 178.66 3hsp h ASP 352 N 0.60 0.18 -0.43 0.86 3.32 -1.99 -2.85 116.42 116.12 3hsp h ASP 352 Ca 0.48 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 3hsp h ASP 352 Cb 0.71 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3hsp h ASP 352 CO -0.38 0.83 -0.05 1.56 -1.72 0.00 0.00 179.24 179.48 3hsp h GLN 353 N 0.10 0.86 0.07 3.56 4.20 -1.67 -3.36 115.11 118.87 3hsp h GLN 353 Ca -0.02 -0.26 -0.29 0.00 0.06 0.00 0.00 58.65 58.14 3hsp h GLN 353 Cb 1.26 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 28.99 3hsp h GLN 353 CO 0.10 0.88 -1.17 1.25 -0.67 0.00 0.00 178.83 179.23 3hsp h LEU 354 N 0.78 0.90 -0.55 1.46 5.85 -0.93 -3.32 115.31 119.50 3hsp h LEU 354 Ca 0.14 -0.78 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 3hsp h LEU 354 Cb 0.54 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3hsp h LEU 354 CO 0.03 1.58 0.08 0.15 -0.34 0.00 0.00 178.44 179.94 3hsp h PHE 355 N 0.33 0.98 -0.59 1.25 3.57 -1.65 0.29 116.94 121.11 3hsp h PHE 355 Ca -0.16 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 3hsp h PHE 355 Cb 1.83 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 3hsp h PHE 355 CO 0.11 0.87 0.26 -1.00 -2.23 0.00 0.00 178.31 176.32 3hsp h PRO 356 N 0.81 0.85 -0.21 6.41 0.13 -1.75 0.12 132.00 138.36 3hsp h PRO 356 Ca 0.17 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3hsp h PRO 356 Cb 0.42 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 3hsp h PRO 356 CO 0.01 0.67 0.06 -0.07 -0.23 0.00 0.00 178.00 178.45 3hsp h LEU 357 N 0.84 0.30 -0.11 1.56 3.38 -1.52 -0.07 115.31 119.69 3hsp h LEU 357 Ca 0.20 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hsp h LEU 357 Cb 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3hsp h LEU 357 CO -0.02 0.43 -0.05 0.00 0.09 0.00 0.00 178.44 178.88 3hsp h ALA 358 N 0.89 0.04 -0.78 1.53 0.00 -0.01 -1.67 119.26 119.27 3hsp h ALA 358 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3hsp h ALA 358 Cb 0.23 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hsp h ALA 358 CO -0.00 -0.51 0.48 -0.22 0.00 0.00 0.00 179.25 179.00 3hsp h LYS 359 N -0.04 0.87 -0.41 0.00 3.64 -0.68 0.17 116.57 120.12 3hsp h LYS 359 Ca 0.06 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3hsp h LYS 359 Cb 0.13 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3hsp h LYS 359 CO -0.14 0.58 0.21 1.49 -2.27 0.00 0.00 179.45 179.32 3hsp h GLU 360 N 0.90 0.42 -0.02 1.90 4.81 -0.68 -0.64 114.58 121.27 3hsp h GLU 360 Ca 0.33 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3hsp h GLU 360 Cb 0.11 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3hsp h GLU 360 CO -0.15 0.28 -0.00 0.35 -0.73 0.00 0.00 179.01 178.75 3hsp h PHE 361 N 0.43 0.03 -0.87 0.92 3.57 -0.62 -2.80 116.94 117.60 3hsp h PHE 361 Ca 0.17 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3hsp h PHE 361 Cb 0.06 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3hsp h PHE 361 CO -0.09 0.38 0.56 -0.07 -2.23 0.00 0.00 178.31 176.86 3hsp h LEU 362 N -0.32 0.94 -0.44 0.59 3.38 -0.88 0.17 115.31 118.75 3hsp h LEU 362 Ca 0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3hsp h LEU 362 Cb 0.36 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3hsp h LEU 362 CO 0.00 0.65 0.11 0.44 0.09 0.00 0.00 178.44 179.73 3hsp h ASP 363 N 1.10 0.05 -0.11 -0.43 5.19 -1.09 -0.69 116.42 120.44 3hsp h ASP 363 Ca 0.35 0.07 -0.15 0.00 -0.62 0.00 0.00 57.03 56.68 3hsp h ASP 363 Cb -0.00 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3hsp h ASP 363 CO -0.11 0.06 -0.43 0.06 -3.12 0.00 0.00 179.24 175.70 3hsp h GLN 364 N 0.25 0.66 0.16 3.56 3.07 -1.03 -1.41 115.11 120.37 3hsp h GLN 364 Ca 0.21 -0.35 0.02 0.00 0.09 0.00 0.00 58.65 58.62 3hsp h GLN 364 Cb 0.25 0.02 -0.04 0.00 0.08 0.00 0.00 27.48 27.79 3hsp h GLN 364 CO -0.26 0.96 -0.36 -0.92 0.09 0.00 0.00 178.83 178.34 3hsp h TYR 365 N 0.53 -0.99 0.00 0.06 3.20 -0.58 -0.27 116.97 118.92 3hsp h TYR 365 Ca 0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3hsp h TYR 365 Cb 0.96 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 3hsp h TYR 365 CO 0.04 -0.47 -0.26 1.88 -1.64 0.00 0.00 178.16 177.71 3hsp h TYR 366 N -0.62 0.00 -0.47 -3.82 0.05 -1.09 -0.66 116.97 110.36 3hsp h TYR 366 Ca 0.02 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 3hsp h TYR 366 Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 3hsp h TYR 366 CO -0.30 0.26 -0.23 1.03 -1.05 0.00 0.00 178.16 177.87 3hsp h SER 367 N 0.00 1.00 -0.52 3.88 0.87 -1.05 0.86 113.55 118.60 3hsp h SER 367 Ca -0.00 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3hsp h SER 367 Cb 0.57 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3hsp h SER 367 CO 0.03 1.18 0.15 0.77 -0.53 0.00 0.00 176.83 178.43 3hsp h SER 368 N 0.83 0.80 -0.29 6.23 4.64 0.51 -2.14 113.55 124.13 3hsp h SER 368 Ca 0.10 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hsp h SER 368 Cb 0.81 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3hsp h SER 368 CO 0.07 0.77 0.00 2.30 -0.87 0.00 0.00 176.83 179.10 3hsp n ILE 369 N -4.28 1.29 -3.88 0.95 -5.35 -0.93 -4.93 119.36 102.24 3hsp n ILE 369 Ca 0.04 -0.67 -0.30 0.00 -0.27 0.00 0.00 62.75 61.55 3hsp n ILE 369 Cb 0.22 -0.34 0.02 0.00 -1.74 0.00 0.00 39.64 37.80 3hsp n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hsp n LYS 370 N 0.33 -5.17 -1.41 6.28 5.02 -0.80 -4.86 118.16 117.55 3hsp n LYS 370 Ca 0.14 0.58 0.01 0.00 -2.02 0.00 0.00 58.31 57.02 3hsp n LYS 370 Cb 0.68 -5.45 0.09 0.00 -0.02 0.00 0.00 35.03 30.34 3hsp n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hsp n ARG 371 N -4.58 1.16 -1.75 1.97 1.74 0.24 -5.04 116.66 110.41 3hsp n ARG 371 Ca 0.04 -2.88 -0.42 0.00 -0.77 0.00 0.00 57.85 53.82 3hsp n ARG 371 Cb 0.52 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 3hsp n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3hsp s PHE 372 N -2.01 2.89 0.00 -1.55 2.19 -0.84 -2.12 117.98 116.54 3hsp s PHE 372 Ca 0.36 0.44 0.00 0.00 0.33 0.00 0.00 56.93 58.06 3hsp s PHE 372 Cb 0.38 -4.11 0.00 0.00 -1.31 0.00 0.00 43.02 37.97 3hsp s PHE 372 CO -0.10 -4.13 0.00 0.41 1.83 0.00 0.00 175.22 173.23 3hsp n GLY 373 N 3.63 0.57 3.82 13.12 0.00 -1.26 -5.02 105.19 120.05 3hsp n GLY 373 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3hsp n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsp s SER 374 N -2.30 4.02 0.17 1.61 1.04 -0.90 -4.85 113.70 112.48 3hsp s SER 374 Ca 0.00 1.01 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 3hsp s SER 374 Cb 0.00 -1.61 0.06 0.00 0.10 0.00 0.00 66.02 64.57 3hsp s SER 374 CO 0.00 -2.23 1.72 0.50 0.98 0.00 0.00 173.24 174.21 3hsp h LYS 375 N -1.28 0.84 -0.71 4.02 3.64 -1.95 -1.02 116.57 120.12 3hsp h LYS 375 Ca -0.49 -0.15 0.15 0.00 -1.27 0.00 0.00 60.65 58.89 3hsp h LYS 375 Cb 1.31 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.89 3hsp h LYS 375 CO 0.62 0.73 0.16 0.00 -2.27 0.00 0.00 179.45 178.69 3hsp h ALA 376 N 1.07 0.89 0.12 5.00 0.00 -1.93 0.16 119.26 124.57 3hsp h ALA 376 Ca 0.19 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3hsp h ALA 376 Cb 0.20 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hsp h ALA 376 CO -0.02 -0.33 -0.06 1.25 0.00 0.00 0.00 179.25 180.10 3hsp h HIS 377 N 0.27 -0.15 -0.38 0.00 -0.00 -1.68 -2.45 115.15 110.75 3hsp h HIS 377 Ca 0.39 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.69 3hsp h HIS 377 Cb 0.65 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 3hsp h HIS 377 CO -0.26 0.09 -0.04 0.52 -0.00 0.00 0.00 177.93 178.23 3hsp h MET 378 N -0.37 0.63 -0.23 5.26 2.07 -0.65 -1.84 114.93 119.79 3hsp h MET 378 Ca -0.02 -0.17 -0.00 0.00 -2.07 0.00 0.00 59.70 57.44 3hsp h MET 378 Cb 0.31 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.95 3hsp h MET 378 CO 0.03 0.68 0.13 -0.44 1.07 0.00 0.00 176.91 178.39 3hsp h ASP 379 N 0.59 0.29 -0.48 1.22 3.32 -0.73 -2.16 116.42 118.47 3hsp h ASP 379 Ca 0.12 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3hsp h ASP 379 Cb 0.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3hsp h ASP 379 CO 0.02 0.27 0.16 -0.09 -1.72 0.00 0.00 179.24 177.89 3hsp h ARG 380 N 0.28 0.73 -0.68 3.56 9.65 -1.04 0.13 114.38 127.01 3hsp h ARG 380 Ca 0.08 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3hsp h ARG 380 Cb 0.04 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 3hsp h ARG 380 CO -0.01 0.68 0.38 1.25 2.80 0.00 0.00 179.97 185.07 3hsp h LEU 381 N 0.63 0.83 -0.18 3.80 5.85 -1.30 0.72 115.31 125.66 3hsp h LEU 381 Ca 0.16 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3hsp h LEU 381 Cb 0.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hsp h LEU 381 CO -0.01 0.67 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.68 3hsp h GLU 382 N 0.92 0.32 -0.57 1.25 4.57 -1.01 0.38 114.58 120.45 3hsp h GLU 382 Ca 0.24 -0.10 0.10 0.00 -1.18 0.00 0.00 59.36 58.42 3hsp h GLU 382 Cb 0.01 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.50 3hsp h GLU 382 CO -0.04 0.53 0.14 1.49 -1.18 0.00 0.00 179.01 179.95 3hsp h GLU 383 N 0.07 0.28 -0.25 1.92 4.81 -0.37 0.30 114.58 121.34 3hsp h GLU 383 Ca 0.05 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3hsp h GLU 383 Cb 0.39 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hsp h GLU 383 CO 0.01 0.18 -0.35 0.28 -0.73 0.00 0.00 179.01 178.40 3hsp h VAL 384 N 0.29 1.31 -0.50 0.32 2.07 -0.74 -1.83 116.25 117.17 3hsp h VAL 384 Ca 0.29 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 66.34 3hsp h VAL 384 Cb 0.40 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 3hsp h VAL 384 CO -0.35 0.49 0.14 -1.13 0.02 0.00 0.00 177.57 176.74 3hsp h ASN 385 N 0.40 0.09 -0.63 0.57 -1.24 -0.42 0.19 115.58 114.55 3hsp h ASN 385 Ca 0.03 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.12 3hsp h ASN 385 Cb 0.94 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 3hsp h ASN 385 CO 0.08 0.08 0.41 0.11 -1.29 0.00 0.00 177.43 176.82 3hsp h LYS 386 N 0.29 0.80 0.07 6.67 1.79 -0.29 -2.03 116.57 123.88 3hsp h LYS 386 Ca 0.25 -0.05 -0.26 0.00 -2.18 0.00 0.00 60.65 58.40 3hsp h LYS 386 Cb 0.30 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3hsp h LYS 386 CO -0.29 0.53 -1.12 1.49 -1.08 0.00 0.00 179.45 178.98 3hsp h GLU 387 N 0.82 0.47 -0.31 3.15 4.81 -0.36 -1.83 114.58 121.33 3hsp h GLU 387 Ca 0.23 -0.60 -0.14 0.00 -0.13 0.00 0.00 59.36 58.73 3hsp h GLU 387 Cb -0.06 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hsp h GLU 387 CO -0.05 1.24 -0.33 0.82 -0.73 0.00 0.00 179.01 179.95 3hsp h ILE 388 N 0.22 1.29 -0.42 2.32 2.04 -0.91 0.37 117.51 122.42 3hsp h ILE 388 Ca -0.13 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.27 3hsp h ILE 388 Cb 1.79 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 39.37 3hsp h ILE 388 CO 0.20 0.49 0.15 -0.08 0.00 0.00 0.00 178.15 178.91 3hsp h GLU 389 N 0.54 0.31 0.12 2.37 4.57 -1.33 0.24 114.58 121.40 3hsp h GLU 389 Ca 0.05 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 57.95 3hsp h GLU 389 Cb 0.92 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3hsp h GLU 389 CO 0.08 0.21 -1.32 1.03 -1.18 0.00 0.00 179.01 177.83 3hsp h SER 390 N 0.32 0.39 -0.32 1.04 0.87 -1.27 -3.39 113.55 111.19 3hsp h SER 390 Ca 0.19 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 3hsp h SER 390 Cb 0.17 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3hsp h SER 390 CO -0.19 1.58 0.00 0.35 -0.53 0.00 0.00 176.83 178.04 3hsp n THR 391 N -3.96 0.65 -0.40 2.23 -2.24 0.13 -4.99 114.28 105.69 3hsp n THR 391 Ca -0.23 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 3hsp n THR 391 Cb 0.88 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3hsp n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hsp n SER 392 N 0.91 0.00 -1.27 3.42 3.41 0.85 -4.84 113.62 116.09 3hsp n SER 392 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.73 3hsp n SER 392 Cb 0.46 -2.08 -0.00 0.00 -0.26 0.00 0.00 64.21 62.33 3hsp n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3hsp n THR 393 N -2.00 0.00 -3.98 6.66 5.66 -1.26 -4.75 114.28 114.61 3hsp n THR 393 Ca 0.00 -0.24 -0.09 0.00 -3.05 0.00 0.00 64.05 60.67 3hsp n THR 393 Cb 0.00 0.15 -0.04 0.00 -1.55 0.00 0.00 70.33 68.89 3hsp n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3hsp s TYR 394 N -4.83 0.35 -0.06 1.09 1.13 -1.26 -3.35 117.35 110.42 3hsp s TYR 394 Ca 0.04 -0.73 0.05 0.00 -1.41 0.00 0.00 57.07 55.01 3hsp s TYR 394 Cb -0.00 0.27 -0.02 0.00 -1.10 0.00 0.00 41.96 41.11 3hsp s TYR 394 CO 0.03 -1.08 -0.21 -0.65 -2.51 0.00 0.00 175.55 171.13 3hsp s GLN 395 N -3.79 2.60 0.28 -3.49 -1.52 -1.26 -5.05 119.66 107.42 3hsp s GLN 395 Ca 0.21 -0.82 -0.26 0.00 -1.95 0.00 0.00 55.36 52.54 3hsp s GLN 395 Cb -0.02 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.41 3hsp s GLN 395 CO 0.10 0.44 0.90 -0.51 -0.25 0.00 0.00 175.29 175.98 3hsp s LEU 396 N -0.30 4.42 0.95 2.90 1.43 -1.26 -5.06 118.68 121.76 3hsp s LEU 396 Ca 0.01 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3hsp s LEU 396 Cb -0.13 -3.82 0.16 0.00 0.03 0.00 0.00 46.19 42.43 3hsp s LEU 396 CO 0.03 0.01 1.09 -0.54 0.23 0.00 0.00 176.35 177.17 3hsp s LYS 397 N -1.80 0.81 0.18 1.70 -0.14 -1.26 -4.80 119.74 114.42 3hsp s LYS 397 Ca 0.46 0.99 -0.13 0.00 -1.36 0.00 0.00 55.97 55.94 3hsp s LYS 397 Cb -0.20 -1.74 0.08 0.00 -1.68 0.00 0.00 37.83 34.28 3hsp s LYS 397 CO 0.25 -2.60 1.80 -0.44 -0.76 0.00 0.00 175.35 173.61 3hsp h ASP 398 N -1.82 0.70 -0.98 2.83 3.32 -1.99 -1.26 116.42 117.23 3hsp h ASP 398 Ca -0.50 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 56.52 3hsp h ASP 398 Cb 1.29 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 3hsp h ASP 398 CO 0.51 0.56 0.64 0.71 -1.72 0.00 0.00 179.24 179.94 3hsp h THR 399 N 0.78 1.16 -0.35 0.35 1.35 -1.99 -0.25 112.91 113.95 3hsp h THR 399 Ca 0.21 -0.42 -0.16 0.00 -0.55 0.00 0.00 66.41 65.49 3hsp h THR 399 Cb 0.00 -0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.25 3hsp h THR 399 CO -0.04 0.22 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.72 3hsp h GLU 400 N 1.22 0.86 -0.08 4.72 5.08 -1.82 -1.48 114.58 123.08 3hsp h GLU 400 Ca 0.39 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hsp h GLU 400 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hsp h GLU 400 CO -0.13 1.11 0.04 1.25 -1.00 0.00 0.00 179.01 180.28 3hsp h LEU 401 N 0.70 0.07 -0.06 1.33 5.85 -0.69 0.29 115.31 122.81 3hsp h LEU 401 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hsp h LEU 401 Cb 0.99 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3hsp h LEU 401 CO 0.10 0.05 0.02 0.40 -0.34 0.00 0.00 178.44 178.67 3hsp h ILE 402 N 0.10 1.14 -0.85 4.05 2.04 -1.00 -0.54 117.51 122.45 3hsp h ILE 402 Ca 0.03 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3hsp h ILE 402 Cb -0.00 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3hsp h ILE 402 CO -0.02 0.12 0.54 0.22 0.00 0.00 0.00 178.15 179.01 3hsp h TYR 403 N -0.07 1.01 -0.46 1.37 5.03 -1.29 -1.91 116.97 120.65 3hsp h TYR 403 Ca 0.02 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 3hsp h TYR 403 Cb 0.17 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 3hsp h TYR 403 CO -0.02 0.56 -0.23 0.78 -1.32 0.00 0.00 178.16 177.93 3hsp h GLY 404 N 1.03 1.03 1.16 1.82 0.00 -0.60 -2.15 103.07 105.36 3hsp h GLY 404 Ca 0.35 -0.92 -0.19 0.00 0.00 0.00 0.00 47.33 46.57 3hsp h GLY 404 CO -0.14 0.84 -0.58 0.00 0.00 0.00 0.00 176.54 176.66 3hsp h ALA 405 N 0.91 0.44 -0.96 3.60 0.00 -0.91 -0.18 119.26 122.15 3hsp h ALA 405 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hsp h ALA 405 Cb 0.80 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3hsp h ALA 405 CO 0.07 0.68 0.61 0.87 0.00 0.00 0.00 179.25 181.48 3hsp h LYS 406 N 0.65 1.29 0.00 0.00 1.57 -1.33 -2.68 116.57 116.07 3hsp h LYS 406 Ca 0.00 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3hsp h LYS 406 Cb 1.20 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3hsp h LYS 406 CO 0.13 0.88 -0.85 0.45 -0.57 0.00 0.00 179.45 179.49 3hsp h HIS 407 N 1.32 0.05 -0.82 -1.35 3.86 -1.18 0.08 115.15 117.11 3hsp h HIS 407 Ca 0.35 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 3hsp h HIS 407 Cb -0.10 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.30 3hsp h HIS 407 CO 0.00 0.86 0.49 0.00 0.86 0.00 0.00 177.93 180.15 3hsp h ALA 408 N 1.13 1.13 -0.09 2.45 0.00 -0.81 0.15 119.26 123.23 3hsp h ALA 408 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hsp h ALA 408 Cb 1.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hsp h ALA 408 CO 0.11 0.20 -0.12 2.35 0.00 0.00 0.00 179.25 181.79 3hsp h TRP 409 N 0.88 0.29 -1.00 0.00 7.01 -1.21 -2.49 115.95 119.44 3hsp h TRP 409 Ca 0.37 -0.10 0.24 0.00 2.11 0.00 0.00 58.89 61.51 3hsp h TRP 409 Cb 0.22 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.14 3hsp h TRP 409 CO -0.05 0.71 0.64 -0.09 -2.79 0.00 0.00 178.44 176.87 3hsp h ARG 410 N -0.21 0.41 -0.01 2.65 2.43 -0.48 -0.10 114.38 119.08 3hsp h ARG 410 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hsp h ARG 410 Cb 0.67 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3hsp h ARG 410 CO 0.03 0.27 -0.13 0.09 -1.51 0.00 0.00 179.97 178.72 3hsp n ASN 411 N -4.59 1.11 -4.55 -3.80 3.02 0.47 -4.85 115.26 102.07 3hsp n ASN 411 Ca 0.23 -1.10 -0.40 0.00 -0.03 0.00 0.00 54.58 53.29 3hsp n ASN 411 Cb 0.80 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3hsp n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hsp s ALA 412 N -2.28 2.53 0.06 5.41 0.00 -0.05 -4.70 121.76 122.72 3hsp s ALA 412 Ca 0.31 -1.22 0.33 0.00 0.00 0.00 0.00 51.96 51.38 3hsp s ALA 412 Cb 0.20 -4.31 1.48 0.00 0.00 0.00 0.00 23.12 20.50 3hsp s ALA 412 CO 0.44 -3.56 1.97 0.66 0.00 0.00 0.00 175.76 175.27 3hsp h SER 413 N 11.59 0.00 0.02 0.00 4.64 -1.88 -2.18 113.55 125.73 3hsp h SER 413 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hsp h SER 413 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hsp h SER 413 CO 1.27 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 177.73 3hsp n ARG 414 N -2.81 1.62 -3.60 4.77 1.74 -1.26 -0.34 116.66 116.77 3hsp n ARG 414 Ca -0.00 -1.01 -0.38 0.00 -0.77 0.00 0.00 57.85 55.70 3hsp n ARG 414 Cb 0.21 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 3hsp n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hsp h VAL 416 N 5.37 0.00 -0.23 0.00 3.04 -1.90 -3.34 116.25 119.20 3hsp h VAL 416 Ca -0.35 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 3hsp h VAL 416 Cb 1.19 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 3hsp h VAL 416 CO 0.55 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 3hsp n GLY 417 N 1.26 1.12 0.00 3.17 0.00 -1.26 -4.46 105.19 105.01 3hsp n GLY 417 Ca 0.05 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3hsp n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsp n ARG 418 N 0.23 0.07 -0.14 1.61 1.74 -1.26 -2.98 116.66 115.93 3hsp n ARG 418 Ca 0.09 0.14 0.25 0.00 -0.77 0.00 0.00 57.85 57.56 3hsp n ARG 418 Cb 0.40 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 31.02 3hsp n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hsp h ILE 419 N 0.00 0.62 -0.04 0.55 2.10 -1.87 -0.02 117.51 118.85 3hsp h ILE 419 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 3hsp h ILE 419 Cb 0.31 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 3hsp h ILE 419 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 3hsp n GLN 420 N -4.34 1.21 -0.29 2.19 1.13 -1.16 -4.64 117.38 111.48 3hsp n GLN 420 Ca 0.16 -0.31 0.16 0.00 -1.94 0.00 0.00 57.00 55.06 3hsp n GLN 420 Cb 0.82 -1.36 0.42 0.00 0.11 0.00 0.00 30.24 30.22 3hsp n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3hsp h TRP 421 N 0.67 0.78 -0.00 1.08 5.08 -1.22 -1.19 115.95 121.15 3hsp h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hsp h TRP 421 Cb 0.14 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 3hsp h TRP 421 CO 0.02 0.21 -0.01 -1.13 -1.28 0.00 0.00 178.44 176.25 3hsp n SER 422 N -4.60 0.26 -1.23 0.11 3.41 -1.26 -3.45 113.62 106.86 3hsp n SER 422 Ca 0.20 -0.89 0.10 0.00 -0.26 0.00 0.00 58.87 58.02 3hsp n SER 422 Cb 0.61 -0.05 0.29 0.00 -0.26 0.00 0.00 64.21 64.80 3hsp n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hsp n LYS 423 N -0.88 2.98 -1.77 4.33 5.02 -0.45 -4.99 118.16 122.41 3hsp n LYS 423 Ca 0.21 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.49 3hsp n LYS 423 Cb 0.18 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3hsp n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hsp s LEU 424 N -1.23 4.37 -0.28 -0.35 2.96 -1.22 -4.81 118.68 118.12 3hsp s LEU 424 Ca 0.44 2.85 -0.22 0.00 -0.22 0.00 0.00 54.13 56.97 3hsp s LEU 424 Cb 0.24 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 3hsp s LEU 424 CO 0.27 -0.94 0.71 -1.58 -1.32 0.00 0.00 176.35 173.49 3hsp s GLN 425 N 0.82 4.04 -0.27 1.98 2.00 -0.83 -4.97 119.66 122.42 3hsp s GLN 425 Ca 0.72 0.57 -0.09 0.00 -2.00 0.00 0.00 55.36 54.55 3hsp s GLN 425 Cb -0.48 -3.69 -0.03 0.00 0.80 0.00 0.00 33.01 29.60 3hsp s GLN 425 CO 0.35 -0.54 0.14 0.08 -0.50 0.00 0.00 175.29 174.82 3hsp s VAL 426 N 2.71 4.81 -0.29 1.34 1.01 -1.26 -1.24 120.40 127.48 3hsp s VAL 426 Ca 0.29 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 3hsp s VAL 426 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3hsp s VAL 426 CO 0.10 0.25 0.15 -0.36 0.00 0.00 0.00 175.10 175.25 3hsp s PHE 427 N 1.68 3.17 -0.61 5.22 0.08 0.34 -4.99 117.98 122.87 3hsp s PHE 427 Ca 0.06 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 56.57 3hsp s PHE 427 Cb -0.16 -2.35 0.05 0.00 -0.57 0.00 0.00 43.02 40.00 3hsp s PHE 427 CO 0.07 -0.34 0.97 0.34 -0.10 0.00 0.00 175.22 176.16 3hsp s ASP 428 N 1.67 6.25 -0.35 1.36 -1.08 -1.26 -1.00 116.67 122.25 3hsp s ASP 428 Ca 0.06 -0.65 0.08 0.00 -0.52 0.00 0.00 52.55 51.52 3hsp s ASP 428 Cb -0.16 -2.43 0.61 0.00 -1.46 0.00 0.00 42.92 39.47 3hsp s ASP 428 CO 0.07 -1.35 1.69 0.00 0.52 0.00 0.00 175.17 176.10 3hsp n ALA 429 N 7.67 4.77 0.48 3.66 0.00 0.12 -4.63 120.51 132.60 3hsp n ALA 429 Ca -0.01 -2.88 0.09 0.00 0.00 0.00 0.00 53.44 50.64 3hsp n ALA 429 Cb 0.47 -1.09 0.40 0.00 0.00 0.00 0.00 19.45 19.23 3hsp n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hsp n ARG 430 N -0.96 0.09 -0.01 0.00 1.74 -1.02 -2.25 116.66 114.25 3hsp n ARG 430 Ca 0.44 0.31 0.14 0.00 -0.77 0.00 0.00 57.85 57.97 3hsp n ARG 430 Cb 1.33 -1.66 0.66 0.00 -1.02 0.00 0.00 32.46 31.77 3hsp n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hsp n ASP 431 N -1.82 0.89 -4.77 0.55 5.68 -1.26 -4.54 116.55 111.29 3hsp n ASP 431 Ca 0.03 -1.34 -0.38 0.00 -0.50 0.00 0.00 54.79 52.60 3hsp n ASP 431 Cb 0.21 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.13 3hsp n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hsp n THR 433 N 0.56 0.00 -4.31 0.00 -2.24 -1.26 -4.77 114.28 102.26 3hsp n THR 433 Ca 0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 3hsp n THR 433 Cb 0.48 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 3hsp n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hsp s THR 434 N -1.17 0.57 0.19 4.28 -4.23 -1.26 -4.59 115.64 109.43 3hsp s THR 434 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 3hsp s THR 434 Cb 0.00 -2.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 3hsp s THR 434 CO 0.00 -0.02 1.50 0.00 -0.54 0.00 0.00 174.62 175.56 3hsp h ALA 435 N 2.40 0.75 -0.35 3.99 0.00 -1.91 -1.85 119.26 122.30 3hsp h ALA 435 Ca -0.38 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 53.82 3hsp h ALA 435 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hsp h ALA 435 CO 0.61 0.90 -0.01 0.45 0.00 0.00 0.00 179.25 181.19 3hsp h HIS 436 N 0.00 0.68 -0.62 0.00 3.86 -1.97 0.06 115.15 117.16 3hsp h HIS 436 Ca -0.01 -0.12 0.11 0.00 -1.16 0.00 0.00 60.37 59.19 3hsp h HIS 436 Cb 1.32 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 29.53 3hsp h HIS 436 CO 0.00 0.74 0.18 0.78 0.86 0.00 0.00 177.93 180.49 3hsp h GLY 437 N 0.43 0.84 1.00 2.45 0.00 -1.93 -1.24 103.07 104.62 3hsp h GLY 437 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hsp h GLY 437 CO 0.02 -0.08 0.40 -0.33 0.00 0.00 0.00 176.54 176.54 3hsp h MET 438 N 0.33 0.88 -0.72 4.80 0.00 -1.06 -1.57 114.93 117.59 3hsp h MET 438 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 59.70 59.94 3hsp h MET 438 Cb 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 31.60 31.84 3hsp h MET 438 CO -0.37 0.62 0.42 0.35 0.00 0.00 0.00 176.91 177.93 3hsp h PHE 439 N 0.88 0.97 -0.27 -0.22 3.57 -0.13 -1.58 116.94 120.17 3hsp h PHE 439 Ca 0.23 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3hsp h PHE 439 Cb -0.03 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 3hsp h PHE 439 CO -0.02 0.67 0.07 -0.97 -2.23 0.00 0.00 178.31 175.84 3hsp h ASN 440 N 0.99 0.40 -0.93 0.41 -1.24 -0.91 -1.16 115.58 113.14 3hsp h ASN 440 Ca 0.26 -0.22 0.12 0.00 0.71 0.00 0.00 56.30 57.17 3hsp h ASN 440 Cb 0.00 -0.10 -0.08 0.00 0.73 0.00 0.00 38.32 38.86 3hsp h ASN 440 CO -0.04 0.51 0.56 1.88 -1.29 0.00 0.00 177.43 179.04 3hsp h TYR 441 N 0.27 1.01 -0.13 0.67 0.05 -1.13 -1.81 116.97 115.89 3hsp h TYR 441 Ca 0.09 0.03 -0.22 0.00 0.05 0.00 0.00 58.73 58.68 3hsp h TYR 441 Cb 0.26 -0.31 0.01 0.00 1.01 0.00 0.00 36.73 37.70 3hsp h TYR 441 CO 0.01 0.38 -0.79 0.82 -1.05 0.00 0.00 178.16 177.53 3hsp h ILE 442 N 0.88 1.30 -0.87 -2.88 2.04 -0.88 -1.15 117.51 115.95 3hsp h ILE 442 Ca 0.47 -2.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.27 3hsp h ILE 442 Cb 0.49 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 3hsp h ILE 442 CO -0.28 0.64 0.46 0.00 0.00 0.00 0.00 178.15 178.97 3hsp h ASN 444 N 1.23 1.04 0.16 0.00 2.35 -1.12 -1.15 115.58 118.09 3hsp h ASN 444 Ca 0.30 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3hsp h ASN 444 Cb 0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3hsp h ASN 444 CO -0.05 1.14 -0.14 -0.74 -1.65 0.00 0.00 177.43 176.00 3hsp h HIS 445 N 0.92 -0.36 -0.70 1.19 2.76 -0.76 0.16 115.15 118.36 3hsp h HIS 445 Ca 0.14 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3hsp h HIS 445 Cb 0.67 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.71 3hsp h HIS 445 CO 0.05 -0.21 0.40 0.28 -1.30 0.00 0.00 177.93 177.14 3hsp h VAL 446 N -0.32 0.98 -0.14 5.26 2.07 -0.65 0.71 116.25 124.17 3hsp h VAL 446 Ca -0.00 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 3hsp h VAL 446 Cb 0.29 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3hsp h VAL 446 CO -0.02 0.13 -0.36 0.50 0.02 0.00 0.00 177.57 177.84 3hsp h LYS 447 N 0.73 0.49 -0.17 1.57 3.64 -1.09 -0.65 116.57 121.09 3hsp h LYS 447 Ca 0.31 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3hsp h LYS 447 Cb 0.19 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3hsp h LYS 447 CO -0.18 0.96 -0.05 -0.92 -2.27 0.00 0.00 179.45 176.99 3hsp h TYR 448 N 0.10 -0.11 -0.28 1.91 3.20 -0.48 -2.36 116.97 118.96 3hsp h TYR 448 Ca -0.01 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 3hsp h TYR 448 Cb 0.98 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 3hsp h TYR 448 CO 0.10 -0.08 -0.33 0.00 -1.64 0.00 0.00 178.16 176.21 3hsp h ALA 449 N 1.16 0.42 -0.02 1.82 0.00 -0.84 -3.25 119.26 118.54 3hsp h ALA 449 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hsp h ALA 449 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hsp h ALA 449 CO -0.18 0.47 0.01 1.15 0.00 0.00 0.00 179.25 180.70 3hsp h THR 450 N 0.46 1.10 -6.35 0.00 2.02 -1.15 0.63 112.91 109.62 3hsp h THR 450 Ca 0.04 -0.29 -0.48 0.00 0.77 0.00 0.00 66.41 66.45 3hsp h THR 450 Cb 0.91 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3hsp h THR 450 CO 0.08 0.08 -0.80 -3.20 0.37 0.00 0.00 175.52 172.04 3hsp n ASN 451 N -5.01 -3.15 -0.67 4.18 5.15 -0.89 -0.57 115.26 114.30 3hsp n ASN 451 Ca -0.07 -0.85 -0.09 0.00 -0.60 0.00 0.00 54.58 52.97 3hsp n ASN 451 Cb 0.08 -3.64 -0.04 0.00 -0.53 0.00 0.00 39.78 35.66 3hsp n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hsp n LYS 452 N -4.51 -1.25 0.00 1.20 5.02 -1.26 -2.41 118.16 114.95 3hsp n LYS 452 Ca -0.08 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 3hsp n LYS 452 Cb 0.58 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 3hsp n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hsp n GLY 453 N -0.63 2.03 3.42 0.72 0.00 0.27 -4.93 105.19 106.07 3hsp n GLY 453 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3hsp n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsp s ASN 454 N -1.82 7.12 0.53 1.61 2.47 -1.01 -0.82 114.94 123.02 3hsp s ASN 454 Ca 0.00 -3.13 -0.21 0.00 0.42 0.00 0.00 52.86 49.95 3hsp s ASN 454 Cb 0.00 -2.34 -0.06 0.00 -1.45 0.00 0.00 41.25 37.40 3hsp s ASN 454 CO 0.00 -0.62 1.19 -0.76 -3.72 0.00 0.00 177.10 173.19 3hsp s LEU 455 N 0.76 3.83 -0.02 3.21 1.43 -1.25 -4.59 118.68 122.06 3hsp s LEU 455 Ca 0.38 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.86 3hsp s LEU 455 Cb -0.05 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3hsp s LEU 455 CO -0.03 -1.26 -0.08 -0.13 0.23 0.00 0.00 176.35 175.08 3hsp s ARG 456 N -3.04 0.89 0.35 1.70 0.52 0.21 -5.01 118.95 114.57 3hsp s ARG 456 Ca 0.71 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.35 3hsp s ARG 456 Cb -0.29 -0.84 -0.11 0.00 0.52 0.00 0.00 34.95 34.23 3hsp s ARG 456 CO 0.34 0.10 1.40 -1.54 0.02 0.00 0.00 175.30 175.62 3hsp s SER 457 N 0.21 6.57 0.07 0.23 1.04 -1.26 -4.44 113.70 116.12 3hsp s SER 457 Ca -0.03 2.85 -0.25 0.00 0.48 0.00 0.00 55.95 59.00 3hsp s SER 457 Cb -0.08 -2.66 0.07 0.00 0.10 0.00 0.00 66.02 63.45 3hsp s SER 457 CO 0.00 -0.70 0.60 0.00 0.98 0.00 0.00 173.24 174.13 3hsp s ALA 458 N -1.04 -1.58 0.02 5.32 0.00 -0.83 -1.96 121.76 121.69 3hsp s ALA 458 Ca 0.51 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3hsp s ALA 458 Cb -0.43 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3hsp s ALA 458 CO 0.57 -0.59 -0.06 -1.50 0.00 0.00 0.00 175.76 174.18 3hsp s ILE 459 N -2.68 0.42 -0.14 0.00 2.07 -0.37 -0.68 121.20 119.82 3hsp s ILE 459 Ca -0.04 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 3hsp s ILE 459 Cb -0.01 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3hsp s ILE 459 CO -0.03 -0.11 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.80 3hsp s THR 460 N -0.67 1.86 -0.30 4.00 2.01 -0.89 -0.51 115.64 121.15 3hsp s THR 460 Ca -0.04 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 3hsp s THR 460 Cb -0.05 -1.67 0.03 0.00 0.01 0.00 0.00 72.50 70.82 3hsp s THR 460 CO 0.00 0.51 0.03 -0.63 -0.69 0.00 0.00 174.62 173.84 3hsp s ILE 461 N 0.96 3.37 0.83 1.82 1.01 -0.17 -3.36 121.20 125.66 3hsp s ILE 461 Ca -0.05 -1.11 -0.11 0.00 0.00 0.00 0.00 60.65 59.39 3hsp s ILE 461 Cb -0.15 -2.85 0.13 0.00 0.01 0.00 0.00 42.46 39.60 3hsp s ILE 461 CO -0.04 -0.03 1.17 -0.36 0.00 0.00 0.00 174.94 175.69 3hsp s PHE 462 N 1.36 2.28 0.52 3.97 0.08 -1.03 0.15 117.98 125.30 3hsp s PHE 462 Ca -0.02 0.39 -0.23 0.00 0.12 0.00 0.00 56.93 57.20 3hsp s PHE 462 Cb -0.19 -3.59 -0.06 0.00 -0.57 0.00 0.00 43.02 38.61 3hsp s PHE 462 CO -0.00 -2.00 1.32 -2.30 -0.10 0.00 0.00 175.22 172.14 3hsp n PRO 463 N -3.33 1.74 -2.23 0.24 -0.02 -1.26 -4.65 135.00 125.50 3hsp n PRO 463 Ca 0.11 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.89 3hsp n PRO 463 Cb 0.60 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3hsp n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3hsp s GLN 464 N -2.69 3.38 0.48 -0.52 -2.07 -1.26 -4.60 119.66 112.38 3hsp s GLN 464 Ca 0.69 1.46 -0.24 0.00 -1.82 0.00 0.00 55.36 55.45 3hsp s GLN 464 Cb -0.44 -2.02 -0.08 0.00 -1.09 0.00 0.00 33.01 29.38 3hsp s GLN 464 CO 0.52 -0.80 1.28 -2.13 -1.32 0.00 0.00 175.29 172.84 3hsp n ARG 465 N -1.48 1.79 0.00 9.60 0.63 0.26 -4.95 116.66 122.51 3hsp n ARG 465 Ca 0.10 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 3hsp n ARG 465 Cb 0.52 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.99 3hsp n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3hsp n THR 466 N -0.59 0.00 0.69 5.15 -2.24 -1.26 -4.75 114.28 111.28 3hsp n THR 466 Ca 0.08 0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.96 3hsp n THR 466 Cb 0.42 -0.69 0.07 0.00 -2.10 0.00 0.00 70.33 68.03 3hsp n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hsp n ASP 467 N -1.38 2.35 0.00 3.42 5.68 -1.26 -4.91 116.55 120.45 3hsp n ASP 467 Ca 0.00 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 3hsp n ASP 467 Cb 0.00 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3hsp n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hsp n GLY 468 N 0.94 1.09 0.66 6.12 0.00 -1.26 -4.84 105.19 107.90 3hsp n GLY 468 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3hsp n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hsp n LYS 469 N -2.00 1.32 -2.46 1.61 5.02 -1.26 -4.49 118.16 115.90 3hsp n LYS 469 Ca 0.00 -1.50 -0.14 0.00 -2.02 0.00 0.00 58.31 54.64 3hsp n LYS 469 Cb 0.00 -1.31 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3hsp n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hsp n HIS 470 N 0.91 2.13 -2.44 2.13 8.25 -1.26 -4.15 115.22 120.79 3hsp n HIS 470 Ca 0.10 -2.42 -0.41 0.00 -0.26 0.00 0.00 57.72 54.73 3hsp n HIS 470 Cb 0.41 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 3hsp n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hsp s ASP 471 N -3.59 7.19 0.06 0.41 1.11 -1.26 -3.82 116.67 116.76 3hsp s ASP 471 Ca 0.39 2.20 -0.20 0.00 0.18 0.00 0.00 52.55 55.13 3hsp s ASP 471 Cb 0.39 -2.61 -0.07 0.00 1.07 0.00 0.00 42.92 41.70 3hsp s ASP 471 CO -0.02 -0.27 0.57 -0.36 1.18 0.00 0.00 175.17 176.27 3hsp s PHE 472 N -0.42 3.79 -0.04 4.23 0.40 -1.26 -1.60 117.98 123.09 3hsp s PHE 472 Ca 0.49 1.27 -0.09 0.00 -0.60 0.00 0.00 56.93 58.00 3hsp s PHE 472 Cb -0.31 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 40.71 3hsp s PHE 472 CO 0.37 0.55 0.21 1.03 0.70 0.00 0.00 175.22 178.09 3hsp s ARG 473 N -0.98 0.43 -0.24 0.44 1.81 -0.28 -3.24 118.95 116.89 3hsp s ARG 473 Ca 0.29 -0.06 -0.09 0.00 -1.72 0.00 0.00 55.73 54.15 3hsp s ARG 473 Cb -0.19 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 3hsp s ARG 473 CO 0.19 -0.09 0.13 0.08 -0.68 0.00 0.00 175.30 174.93 3hsp s VAL 474 N -0.74 5.01 -0.02 3.52 1.01 -1.26 -1.20 120.40 126.72 3hsp s VAL 474 Ca -0.08 0.06 0.12 0.00 0.00 0.00 0.00 61.98 62.07 3hsp s VAL 474 Cb -0.05 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3hsp s VAL 474 CO 0.02 0.34 1.39 -0.50 0.00 0.00 0.00 175.10 176.34 3hsp h TRP 475 N 7.77 0.00 -4.08 5.22 4.06 -1.57 -3.43 115.95 123.92 3hsp h TRP 475 Ca -0.37 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.02 3hsp h TRP 475 Cb 1.18 0.00 0.16 0.00 -1.00 0.00 0.00 29.16 29.50 3hsp h TRP 475 CO 0.68 0.71 0.45 0.09 -3.56 0.00 0.00 178.44 176.81 3hsp n ASN 476 N -3.30 1.78 -0.00 -3.49 4.13 -1.26 -4.94 115.26 108.17 3hsp n ASN 476 Ca 0.01 0.78 -0.08 0.00 1.68 0.00 0.00 54.58 56.97 3hsp n ASN 476 Cb 0.81 -1.54 -0.14 0.00 -1.54 0.00 0.00 39.78 37.38 3hsp n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3hsp h SER 477 N 0.25 0.00 -4.20 6.41 4.64 -1.90 -3.35 113.55 115.40 3hsp h SER 477 Ca -0.50 -0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.47 3hsp h SER 477 Cb 1.33 -0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.25 3hsp h SER 477 CO 0.51 1.00 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.64 3hsp s GLN 478 N -2.62 0.94 0.16 4.77 -0.21 -1.26 -0.96 119.66 120.47 3hsp s GLN 478 Ca -0.03 -1.25 -0.16 0.00 0.02 0.00 0.00 55.36 53.94 3hsp s GLN 478 Cb 0.08 -0.65 0.09 0.00 1.00 0.00 0.00 33.01 33.53 3hsp s GLN 478 CO 0.82 0.10 1.71 -0.07 -2.12 0.00 0.00 175.29 175.74 3hsp h LEU 479 N 3.37 -0.10 -8.19 2.90 3.38 -1.53 -3.38 115.31 111.77 3hsp h LEU 479 Ca -0.38 0.08 -0.68 0.00 0.09 0.00 0.00 57.88 56.99 3hsp h LEU 479 Cb 1.19 0.13 -0.30 0.00 0.09 0.00 0.00 40.66 41.77 3hsp h LEU 479 CO 0.55 -0.02 -0.70 -0.63 0.09 0.00 0.00 178.44 177.73 3hsp s ILE 480 N -6.18 3.20 0.05 1.22 1.01 -1.26 -4.86 121.20 114.38 3hsp s ILE 480 Ca -0.13 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.41 3hsp s ILE 480 Cb 0.13 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.94 3hsp s ILE 480 CO 0.71 0.11 0.22 -0.13 0.00 0.00 0.00 174.94 175.85 3hsp s ARG 481 N 1.36 0.76 0.26 2.79 0.52 -1.26 -4.82 118.95 118.56 3hsp s ARG 481 Ca -0.00 -0.68 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 3hsp s ARG 481 Cb -0.17 0.32 -0.07 0.00 0.52 0.00 0.00 34.95 35.54 3hsp s ARG 481 CO -0.02 -0.23 0.60 0.71 0.02 0.00 0.00 175.30 176.38 3hsp s TYR 482 N -2.91 3.42 0.69 -0.53 2.02 -1.26 -0.16 117.35 118.62 3hsp s TYR 482 Ca -0.02 0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 57.50 3hsp s TYR 482 Cb 0.00 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 3hsp s TYR 482 CO -0.06 0.21 1.07 0.00 -1.57 0.00 0.00 175.55 175.20 3hsp s ALA 483 N -1.90 2.82 -0.04 3.71 0.00 -0.24 -4.52 121.76 121.60 3hsp s ALA 483 Ca 0.49 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3hsp s ALA 483 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3hsp s ALA 483 CO 0.21 -1.09 -0.13 0.20 0.00 0.00 0.00 175.76 174.95 3hsp s GLY 484 N -4.12 0.73 -0.17 0.00 0.00 -1.24 -0.74 107.32 101.79 3hsp s GLY 484 Ca 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3hsp s GLY 484 CO 0.54 -0.14 -0.10 -0.19 0.00 0.00 0.00 173.10 173.21 3hsp s TYR 485 N 0.24 2.07 0.18 1.90 2.02 -0.39 -4.26 117.35 119.11 3hsp s TYR 485 Ca -0.06 -1.27 -0.31 0.00 -0.37 0.00 0.00 57.07 55.06 3hsp s TYR 485 Cb -0.11 -1.50 -0.09 0.00 -0.40 0.00 0.00 41.96 39.86 3hsp s TYR 485 CO 0.02 -0.67 1.40 0.15 -1.57 0.00 0.00 175.55 174.88 3hsp s LYS 486 N 1.51 4.32 0.21 -0.62 1.02 -1.26 -1.00 119.74 123.92 3hsp s LYS 486 Ca 0.02 2.15 0.06 0.00 0.02 0.00 0.00 55.97 58.22 3hsp s LYS 486 Cb -0.15 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 3hsp s LYS 486 CO -0.09 -0.40 0.20 -0.65 -0.92 0.00 0.00 175.35 173.49 3hsp s GLN 487 N 0.42 3.01 0.48 1.68 -0.21 0.65 -4.94 119.66 120.75 3hsp s GLN 487 Ca 0.62 -0.92 0.17 0.00 0.02 0.00 0.00 55.36 55.25 3hsp s GLN 487 Cb -0.39 -2.66 1.17 0.00 1.00 0.00 0.00 33.01 32.13 3hsp s GLN 487 CO 0.35 0.44 2.03 -1.35 -2.12 0.00 0.00 175.29 174.65 3hsp h PRO 488 N 1.84 0.21 -0.95 2.91 0.11 -1.96 0.01 132.00 134.17 3hsp h PRO 488 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3hsp h PRO 488 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hsp h PRO 488 CO 0.62 0.14 0.01 -0.40 -0.21 0.00 0.00 178.00 178.17 3hsp n ASP 489 N -4.46 1.89 0.00 -2.05 5.75 -1.26 -4.87 116.55 111.55 3hsp n ASP 489 Ca 0.06 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 3hsp n ASP 489 Cb 0.35 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3hsp n ASP 489 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hsp n GLY 490 N 0.12 2.45 3.94 6.12 0.00 -0.01 -4.98 105.19 112.84 3hsp n GLY 490 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3hsp n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsp s SER 491 N -2.51 3.08 -0.06 1.61 1.04 -1.26 -4.66 113.70 110.94 3hsp s SER 491 Ca 0.00 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.61 3hsp s SER 491 Cb 0.00 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 3hsp s SER 491 CO 0.00 -2.74 -0.20 -0.89 0.98 0.00 0.00 173.24 170.38 3hsp s THR 492 N -3.85 1.72 -0.15 2.02 2.01 -1.26 -0.26 115.64 115.88 3hsp s THR 492 Ca 0.75 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 3hsp s THR 492 Cb -0.03 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3hsp s THR 492 CO 0.53 0.49 0.06 -0.22 -0.69 0.00 0.00 174.62 174.78 3hsp s LEU 493 N 0.14 3.87 0.00 4.42 2.96 -0.17 -4.96 118.68 124.94 3hsp s LEU 493 Ca -0.09 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3hsp s LEU 493 Cb -0.14 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.60 3hsp s LEU 493 CO 0.04 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 3hsp n GLY 494 N 2.88 0.44 3.37 7.98 0.00 -1.26 -1.26 105.19 117.35 3hsp n GLY 494 Ca -0.18 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3hsp n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hsp s ASP 495 N -4.00 6.00 0.62 1.61 -1.08 0.09 -4.78 116.67 115.13 3hsp s ASP 495 Ca 0.00 -1.28 0.34 0.00 -0.52 0.00 0.00 52.55 51.09 3hsp s ASP 495 Cb 0.00 -2.12 1.92 0.00 -1.46 0.00 0.00 42.92 41.26 3hsp s ASP 495 CO 0.00 -0.57 2.20 -0.65 0.52 0.00 0.00 175.17 176.67 3hsp h PRO 496 N 8.64 0.00 0.00 4.34 0.11 -1.80 -1.39 132.00 141.89 3hsp h PRO 496 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3hsp h PRO 496 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hsp h PRO 496 CO 0.81 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.58 3hsp h ALA 497 N 1.84 1.60 -0.34 -0.75 0.00 -1.93 -3.12 119.26 116.57 3hsp h ALA 497 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hsp h ALA 497 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hsp h ALA 497 CO -0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 3hsp n ASN 498 N -3.98 2.90 0.01 0.00 3.02 -0.53 -4.70 115.26 111.97 3hsp n ASN 498 Ca -0.03 -1.92 -0.10 0.00 -0.03 0.00 0.00 54.58 52.50 3hsp n ASN 498 Cb 0.11 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3hsp n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hsp h VAL 499 N 2.33 0.40 -0.59 2.41 2.07 -1.62 -0.99 116.25 120.27 3hsp h VAL 499 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hsp h VAL 499 Cb 0.73 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hsp h VAL 499 CO 0.00 0.00 0.37 -0.61 0.02 0.00 0.00 177.57 177.35 3hsp h GLN 500 N -0.33 0.79 -0.37 1.57 4.15 -1.86 -1.32 115.11 117.73 3hsp h GLN 500 Ca 0.10 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 3hsp h GLN 500 Cb 0.47 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3hsp h GLN 500 CO -0.31 0.55 -0.14 0.35 -1.93 0.00 0.00 178.83 177.35 3hsp h PHE 501 N 0.79 0.73 -0.70 3.99 3.57 -1.82 -1.84 116.94 121.66 3hsp h PHE 501 Ca 0.21 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3hsp h PHE 501 Cb -0.05 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 3hsp h PHE 501 CO -0.03 0.77 0.30 1.15 -2.23 0.00 0.00 178.31 178.28 3hsp h THR 502 N 0.60 1.23 -0.84 4.41 2.02 -0.72 -1.43 112.91 118.19 3hsp h THR 502 Ca 0.10 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 3hsp h THR 502 Cb 0.58 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3hsp h THR 502 CO 0.04 0.29 0.47 -0.33 0.37 0.00 0.00 175.52 176.35 3hsp h GLU 503 N 1.01 1.17 -0.25 6.66 5.08 -0.57 -1.71 114.58 125.98 3hsp h GLU 503 Ca 0.24 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3hsp h GLU 503 Cb 0.16 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3hsp h GLU 503 CO -0.02 0.86 -0.22 0.82 -1.00 0.00 0.00 179.01 179.44 3hsp h ILE 504 N 1.17 1.25 -0.07 3.13 2.04 -0.98 -0.21 117.51 123.84 3hsp h ILE 504 Ca 0.30 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3hsp h ILE 504 Cb 0.02 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3hsp h ILE 504 CO -0.05 0.38 0.01 0.00 0.00 0.00 0.00 178.15 178.49 3hsp h ILE 506 N -0.13 1.16 -1.06 0.00 2.04 -1.04 -0.18 117.51 118.30 3hsp h ILE 506 Ca 0.02 -0.49 0.37 0.00 1.00 0.00 0.00 64.86 65.76 3hsp h ILE 506 Cb 0.29 1.29 -0.15 0.00 -0.74 0.00 0.00 36.82 37.50 3hsp h ILE 506 CO 0.00 0.15 0.61 -0.61 0.00 0.00 0.00 178.15 178.30 3hsp h GLN 507 N 0.00 0.19 -0.02 2.37 4.15 -1.08 -0.94 115.11 119.78 3hsp h GLN 507 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3hsp h GLN 507 Cb 0.20 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3hsp h GLN 507 CO -0.00 0.13 -0.07 0.94 -1.93 0.00 0.00 178.83 177.90 3hsp n GLN 508 N -5.04 1.72 0.00 1.69 -0.06 -0.18 -4.93 117.38 110.58 3hsp n GLN 508 Ca 0.34 -1.19 0.00 0.00 -2.00 0.00 0.00 57.00 54.15 3hsp n GLN 508 Cb 1.14 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.85 3hsp n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hsp n GLY 509 N 1.27 1.50 3.68 1.69 0.00 -0.36 -4.94 105.19 108.03 3hsp n GLY 509 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3hsp n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3hsp n TRP 510 N 0.00 2.30 -2.95 1.61 -0.00 -0.60 -4.90 117.44 112.90 3hsp n TRP 510 Ca 0.00 0.33 -0.44 0.00 -0.00 0.00 0.00 57.50 57.39 3hsp n TRP 510 Cb 0.00 -2.52 -0.04 0.00 -0.00 0.00 0.00 31.31 28.76 3hsp n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3hsp s LYS 511 N 0.24 3.23 0.06 5.87 -0.14 -1.26 -4.46 119.74 123.28 3hsp s LYS 511 Ca 0.73 -1.22 -0.31 0.00 -1.36 0.00 0.00 55.97 53.81 3hsp s LYS 511 Cb -0.64 -4.41 -0.07 0.00 -1.68 0.00 0.00 37.83 31.02 3hsp s LYS 511 CO 0.43 -1.73 1.47 0.00 -0.76 0.00 0.00 175.35 174.76 3hsp s ALA 512 N 3.30 3.62 0.36 5.17 0.00 -1.26 -4.93 121.76 128.02 3hsp s ALA 512 Ca 0.22 1.06 0.38 0.00 0.00 0.00 0.00 51.96 53.62 3hsp s ALA 512 Cb -0.16 -3.60 1.82 0.00 0.00 0.00 0.00 23.12 21.18 3hsp s ALA 512 CO 0.04 -0.85 2.15 -1.35 0.00 0.00 0.00 175.76 175.75 3hsp h PRO 513 N 7.54 0.00 -5.99 0.00 0.11 -1.99 -3.47 132.00 128.20 3hsp h PRO 513 Ca -0.41 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.31 3hsp h PRO 513 Cb 1.20 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.39 3hsp h PRO 513 CO 0.90 0.01 -0.82 0.54 -0.21 0.00 0.00 178.00 178.42 3hsp n ARG 514 N -3.12 -5.16 -1.94 1.05 1.74 -1.26 -5.05 116.66 102.92 3hsp n ARG 514 Ca -0.01 0.67 -0.04 0.00 -0.77 0.00 0.00 57.85 57.69 3hsp n ARG 514 Cb 0.20 -5.32 -0.00 0.00 -1.02 0.00 0.00 32.46 26.33 3hsp n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hsp n GLY 515 N -1.48 3.12 0.09 -0.13 0.00 -1.26 -5.08 105.19 100.45 3hsp n GLY 515 Ca -0.29 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.43 3hsp n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hsp h ARG 516 N 0.00 0.07 -1.45 1.61 2.43 -1.92 -3.39 114.38 111.72 3hsp h ARG 516 Ca -0.06 -0.12 -0.48 0.00 -0.81 0.00 0.00 59.98 58.51 3hsp h ARG 516 Cb 0.21 0.04 -0.41 0.00 -0.42 0.00 0.00 29.97 29.39 3hsp h ARG 516 CO 0.09 0.79 -0.97 1.19 -1.51 0.00 0.00 179.97 179.56 3hsp n PHE 517 N -3.23 2.14 -2.84 2.20 3.72 -1.26 -4.04 117.46 114.14 3hsp n PHE 517 Ca -0.13 -3.17 -0.43 0.00 -0.05 0.00 0.00 57.45 53.67 3hsp n PHE 517 Cb 1.02 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 39.23 3hsp n PHE 517 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hsp s ASP 518 N -3.22 6.53 0.06 4.37 1.01 -1.26 -4.92 116.67 119.24 3hsp s ASP 518 Ca 0.38 0.21 -0.32 0.00 0.71 0.00 0.00 52.55 53.53 3hsp s ASP 518 Cb 0.40 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.79 3hsp s ASP 518 CO -0.08 -0.97 1.86 0.52 0.21 0.00 0.00 175.17 176.71 3hsp n VAL 519 N 6.25 0.48 -1.89 -1.27 0.31 -1.26 -1.08 118.33 119.86 3hsp n VAL 519 Ca 0.06 -0.09 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 3hsp n VAL 519 Cb 0.48 -2.06 0.04 0.00 -0.91 0.00 0.00 33.84 31.39 3hsp n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hsp s LEU 520 N 3.27 3.50 0.66 7.52 1.43 0.77 -4.89 118.68 130.96 3hsp s LEU 520 Ca 0.86 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.95 3hsp s LEU 520 Cb -0.54 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.11 3hsp s LEU 520 CO 0.42 -1.56 1.05 -2.16 0.23 0.00 0.00 176.35 174.33 3hsp s PRO 521 N -3.80 3.22 0.21 1.29 0.04 -1.26 -4.76 135.00 129.95 3hsp s PRO 521 Ca 0.70 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 3hsp s PRO 521 Cb -0.23 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 3hsp s PRO 521 CO 0.37 -0.85 0.83 -0.51 0.04 0.00 0.00 177.00 176.88 3hsp s LEU 522 N -5.35 4.55 -0.25 -3.56 1.43 0.26 -4.89 118.68 110.87 3hsp s LEU 522 Ca 0.57 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 3hsp s LEU 522 Cb -0.12 -3.49 0.07 0.00 0.03 0.00 0.00 46.19 42.67 3hsp s LEU 522 CO 0.54 0.15 -0.02 -0.22 0.23 0.00 0.00 176.35 177.03 3hsp s LEU 523 N -1.36 2.61 -0.12 1.79 2.96 -1.26 -1.06 118.68 122.24 3hsp s LEU 523 Ca 0.40 -1.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.05 3hsp s LEU 523 Cb -0.23 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3hsp s LEU 523 CO 0.27 -0.28 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.04 3hsp s LEU 524 N 1.42 2.05 -0.26 -0.68 1.43 -0.15 -1.44 118.68 121.04 3hsp s LEU 524 Ca -0.02 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 3hsp s LEU 524 Cb -0.19 -1.37 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 3hsp s LEU 524 CO -0.09 0.11 0.05 -1.58 0.23 0.00 0.00 176.35 175.07 3hsp s GLN 525 N 0.62 3.30 -0.10 1.70 0.74 -0.34 -1.45 119.66 124.13 3hsp s GLN 525 Ca -0.12 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.57 3hsp s GLN 525 Cb -0.17 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 3hsp s GLN 525 CO 0.03 -0.32 -0.05 0.00 -0.55 0.00 0.00 175.29 174.40 3hsp s ALA 526 N 1.52 3.01 -1.82 1.58 0.00 -1.26 -1.12 121.76 123.66 3hsp s ALA 526 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3hsp s ALA 526 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.59 3hsp s ALA 526 CO 0.01 0.44 0.00 -1.71 0.00 0.00 0.00 175.76 174.50 3hsp n ASN 527 N 2.72 -5.86 0.00 0.00 2.85 -1.23 -0.46 115.26 113.28 3hsp n ASN 527 Ca -0.18 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 3hsp n ASN 527 Cb 0.53 -4.90 0.00 0.00 1.24 0.00 0.00 39.78 36.65 3hsp n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hsp n GLY 528 N -0.96 1.35 3.71 8.20 0.00 -0.63 -4.40 105.19 112.46 3hsp n GLY 528 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3hsp n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsp s ASN 529 N -3.18 2.21 0.49 1.61 0.01 0.40 -4.88 114.94 111.59 3hsp s ASN 529 Ca 0.00 0.74 -0.22 0.00 -0.71 0.00 0.00 52.86 52.67 3hsp s ASN 529 Cb 0.00 -1.10 -0.07 0.00 0.41 0.00 0.00 41.25 40.49 3hsp s ASN 529 CO 0.00 -3.34 1.14 -1.81 -1.51 0.00 0.00 177.10 171.58 3hsp s ASP 530 N -4.02 6.03 0.54 -1.22 1.01 -1.26 -4.45 116.67 113.29 3hsp s ASP 530 Ca 0.69 2.23 -0.17 0.00 0.71 0.00 0.00 52.55 56.01 3hsp s ASP 530 Cb -0.11 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.16 3hsp s ASP 530 CO 0.55 -1.01 1.03 -2.16 0.21 0.00 0.00 175.17 173.79 3hsp s PRO 531 N -2.93 3.64 0.12 8.23 0.04 -1.26 -4.66 135.00 138.18 3hsp s PRO 531 Ca 0.67 1.16 0.08 0.00 0.04 0.00 0.00 61.00 62.96 3hsp s PRO 531 Cb -0.26 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3hsp s PRO 531 CO 0.31 -0.54 -0.20 -1.21 0.04 0.00 0.00 177.00 175.39 3hsp s GLU 532 N -3.86 1.18 0.21 4.56 2.02 -0.53 -4.84 118.70 117.43 3hsp s GLU 532 Ca 0.63 -1.24 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 3hsp s GLU 532 Cb -0.14 -1.40 -0.07 0.00 0.10 0.00 0.00 34.13 32.62 3hsp s GLU 532 CO 0.31 0.31 0.53 -0.51 0.02 0.00 0.00 175.26 175.92 3hsp s LEU 533 N -2.12 4.20 -0.16 1.80 1.43 -1.26 -0.98 118.68 121.60 3hsp s LEU 533 Ca 0.09 0.90 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 3hsp s LEU 533 Cb -0.09 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.60 3hsp s LEU 533 CO 0.05 -0.04 0.53 -0.36 0.23 0.00 0.00 176.35 176.77 3hsp s PHE 534 N -1.75 -0.55 -0.22 0.29 0.40 -0.23 -4.98 117.98 110.94 3hsp s PHE 534 Ca 0.45 1.26 -0.07 0.00 -0.60 0.00 0.00 56.93 57.97 3hsp s PHE 534 Cb -0.12 0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.60 3hsp s PHE 534 CO 0.21 -0.35 0.07 -1.14 0.70 0.00 0.00 175.22 174.71 3hsp s GLN 535 N -0.13 3.80 0.26 0.44 0.74 -1.26 0.91 119.66 124.42 3hsp s GLN 535 Ca -0.03 -0.42 -0.30 0.00 0.05 0.00 0.00 55.36 54.66 3hsp s GLN 535 Cb -0.03 -3.28 -0.11 0.00 1.10 0.00 0.00 33.01 30.69 3hsp s GLN 535 CO 0.03 0.02 1.57 0.42 -0.55 0.00 0.00 175.29 176.78 3hsp s ILE 536 N 1.05 2.25 -0.17 -2.34 1.01 -1.26 -4.83 121.20 116.90 3hsp s ILE 536 Ca 0.04 0.20 -0.36 0.00 0.00 0.00 0.00 60.65 60.53 3hsp s ILE 536 Cb -0.14 -3.13 -0.13 0.00 0.01 0.00 0.00 42.46 39.07 3hsp s ILE 536 CO 0.03 0.03 1.88 -2.65 0.00 0.00 0.00 174.94 174.23 3hsp n PRO 537 N 2.60 1.78 -0.37 2.79 -0.02 -1.26 -4.78 135.00 135.74 3hsp n PRO 537 Ca 0.09 0.64 0.30 0.00 -2.02 0.00 0.00 63.50 62.51 3hsp n PRO 537 Cb 0.38 -2.49 0.59 0.00 -0.02 0.00 0.00 33.50 31.96 3hsp n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hsp h PRO 538 N 9.07 0.23 0.00 0.52 0.11 -1.95 0.88 132.00 140.87 3hsp h PRO 538 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hsp h PRO 538 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hsp h PRO 538 CO 0.96 0.15 0.00 1.05 -0.21 0.00 0.00 178.00 179.95 3hsp h GLU 539 N 0.24 0.00 0.00 1.05 9.09 -2.02 -2.26 114.58 120.68 3hsp h GLU 539 Ca 0.68 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.09 3hsp h GLU 539 Cb 2.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.10 3hsp h GLU 539 CO -0.31 0.00 -0.77 1.28 0.05 0.00 0.00 179.01 179.25 3hsp n LEU 540 N -2.64 0.63 -4.33 3.06 4.77 0.31 -4.73 117.00 114.07 3hsp n LEU 540 Ca -0.00 -0.06 -0.47 0.00 -0.03 0.00 0.00 56.01 55.45 3hsp n LEU 540 Cb 0.17 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3hsp n LEU 540 CO 0.19 0.10 0.39 -0.69 -1.33 0.00 0.00 177.39 176.05 3hsp s VAL 541 N -3.09 5.53 0.04 4.08 1.01 -0.85 -4.80 120.40 122.33 3hsp s VAL 541 Ca 0.07 -2.29 -0.30 0.00 0.00 0.00 0.00 61.98 59.46 3hsp s VAL 541 Cb 0.16 -4.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 3hsp s VAL 541 CO 0.76 -1.01 1.67 -0.22 0.00 0.00 0.00 175.10 176.30 3hsp s LEU 542 N 0.45 4.36 0.15 3.92 2.96 -1.26 -4.99 118.68 124.27 3hsp s LEU 542 Ca 0.16 2.45 0.11 0.00 -0.22 0.00 0.00 54.13 56.62 3hsp s LEU 542 Cb -0.13 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3hsp s LEU 542 CO -0.07 -0.90 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.20 3hsp s GLU 543 N 2.99 1.40 -0.15 1.98 2.02 -1.26 -1.09 118.70 124.59 3hsp s GLU 543 Ca 0.74 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3hsp s GLU 543 Cb -0.39 -1.81 0.02 0.00 0.10 0.00 0.00 34.13 32.05 3hsp s GLU 543 CO 0.32 0.41 -0.17 0.08 0.02 0.00 0.00 175.26 175.93 3hsp s VAL 544 N -1.30 1.75 0.16 2.63 1.01 0.11 -4.89 120.40 119.86 3hsp s VAL 544 Ca 0.15 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3hsp s VAL 544 Cb -0.09 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 3hsp s VAL 544 CO 0.07 0.49 1.04 -2.84 0.00 0.00 0.00 175.10 173.86 3hsp s PRO 545 N 1.22 4.64 -0.40 2.72 0.02 -1.26 -1.78 135.00 140.16 3hsp s PRO 545 Ca 0.00 1.61 -0.18 0.00 0.02 0.00 0.00 61.00 62.45 3hsp s PRO 545 Cb -0.14 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 31.08 3hsp s PRO 545 CO -0.08 0.15 0.52 0.42 -0.33 0.00 0.00 177.00 177.68 3hsp s ILE 546 N -0.19 4.99 0.34 2.83 -1.09 0.12 -4.85 121.20 123.35 3hsp s ILE 546 Ca 0.48 -0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 3hsp s ILE 546 Cb -0.27 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 3hsp s ILE 546 CO 0.33 -0.41 0.01 0.00 -1.23 0.00 0.00 174.94 173.63 3hsp s ARG 547 N 2.42 1.74 -0.00 2.79 3.03 -1.26 -4.05 118.95 123.60 3hsp s ARG 547 Ca 0.17 -1.95 0.08 0.00 2.03 0.00 0.00 55.73 56.06 3hsp s ARG 547 Cb -0.16 -1.22 -0.02 0.00 -1.03 0.00 0.00 34.95 32.52 3hsp s ARG 547 CO 0.15 -0.07 -0.26 -1.58 -1.13 0.00 0.00 175.30 172.41 3hsp s HIS 548 N -3.01 2.33 0.34 5.89 2.46 -1.26 -4.34 115.29 117.71 3hsp s HIS 548 Ca 0.34 -0.43 0.30 0.00 0.47 0.00 0.00 55.06 55.74 3hsp s HIS 548 Cb 0.08 -1.48 1.44 0.00 -0.13 0.00 0.00 32.58 32.49 3hsp s HIS 548 CO 0.16 0.00 2.04 -1.00 -2.47 0.00 0.00 174.74 173.47 3hsp h PRO 549 N 5.32 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 135.06 3hsp h PRO 549 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 3hsp h PRO 549 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3hsp h PRO 549 CO 0.46 0.11 -1.52 1.63 -0.23 0.00 0.00 178.00 178.45 3hsp n LYS 550 N -3.45 1.43 -3.08 0.86 5.02 -1.26 -4.92 118.16 112.76 3hsp n LYS 550 Ca -0.01 0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 3hsp n LYS 550 Cb 0.27 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 3hsp n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3hsp s PHE 551 N -2.18 2.96 0.51 2.13 0.08 -1.25 -4.91 117.98 115.32 3hsp s PHE 551 Ca -0.08 -0.60 0.26 0.00 0.12 0.00 0.00 56.93 56.62 3hsp s PHE 551 Cb 0.03 -3.81 1.55 0.00 -0.57 0.00 0.00 43.02 40.21 3hsp s PHE 551 CO 0.26 -1.21 2.15 0.22 -0.10 0.00 0.00 175.22 176.54 3hsp h ASP 552 N 9.15 0.00 1.01 1.36 3.58 -1.91 -2.15 116.42 127.44 3hsp h ASP 552 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3hsp h ASP 552 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3hsp h ASP 552 CO 1.04 0.06 0.00 -2.67 -2.88 0.00 0.00 179.24 174.79 3hsp n TRP 553 N -3.90 0.69 -0.21 0.28 4.27 -1.26 -3.78 117.44 113.53 3hsp n TRP 553 Ca -0.03 0.24 -0.07 0.00 -3.89 0.00 0.00 57.50 53.76 3hsp n TRP 553 Cb 0.15 -0.88 0.03 0.00 -1.36 0.00 0.00 31.31 29.25 3hsp n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3hsp h PHE 554 N 0.00 0.79 -0.58 -2.67 3.57 -1.75 -1.54 116.94 114.76 3hsp h PHE 554 Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 3hsp h PHE 554 Cb 0.50 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3hsp h PHE 554 CO 0.00 0.55 0.49 1.57 -2.23 0.00 0.00 178.31 178.69 3hsp h LYS 555 N 0.80 0.00 0.00 1.11 2.10 -1.70 -0.00 116.57 118.88 3hsp h LYS 555 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 3hsp h LYS 555 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hsp h LYS 555 CO -0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.16 3hsp n ASP 556 N -4.03 0.01 0.30 7.07 8.00 -0.58 -2.24 116.55 125.08 3hsp n ASP 556 Ca 0.11 0.50 0.18 0.00 0.71 0.00 0.00 54.79 56.30 3hsp n ASP 556 Cb 0.72 -0.50 0.91 0.00 -0.02 0.00 0.00 41.12 42.22 3hsp n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hsp h LEU 557 N 0.00 0.00 0.21 0.64 3.38 -1.08 -3.46 115.31 115.00 3hsp h LEU 557 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hsp h LEU 557 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 3hsp h LEU 557 CO 0.00 0.03 -0.12 0.61 0.09 0.00 0.00 178.44 179.05 3hsp n GLY 558 N -0.60 0.31 3.77 0.83 0.00 -0.95 -5.02 105.19 103.52 3hsp n GLY 558 Ca -0.01 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3hsp n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsp s LEU 559 N -1.59 4.36 0.15 0.99 1.43 -1.26 -5.02 118.68 117.74 3hsp s LEU 559 Ca 0.03 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 3hsp s LEU 559 Cb -0.02 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3hsp s LEU 559 CO 0.04 0.15 -0.02 -1.59 0.23 0.00 0.00 176.35 175.15 3hsp s LYS 560 N -0.11 1.03 0.10 1.70 -2.85 -1.26 0.11 119.74 118.46 3hsp s LYS 560 Ca 0.24 -1.47 -0.03 0.00 -1.00 0.00 0.00 55.97 53.71 3hsp s LYS 560 Cb -0.16 -0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.30 3hsp s LYS 560 CO 0.11 -0.08 0.08 -0.46 0.10 0.00 0.00 175.35 175.10 3hsp s TRP 561 N -3.62 0.58 0.42 1.78 -0.11 -0.73 -4.94 118.94 112.31 3hsp s TRP 561 Ca 0.20 -1.02 -0.09 0.00 1.22 0.00 0.00 56.10 56.42 3hsp s TRP 561 Cb 0.06 -0.33 -0.06 0.00 -1.50 0.00 0.00 33.47 31.64 3hsp s TRP 561 CO 0.01 -0.50 0.76 1.52 -4.62 0.00 0.00 176.95 174.12 3hsp s TYR 562 N -3.97 3.50 -0.28 5.86 1.13 -1.26 0.06 117.35 122.39 3hsp s TYR 562 Ca 0.14 0.96 0.21 0.00 -1.41 0.00 0.00 57.07 56.98 3hsp s TYR 562 Cb 0.07 -2.38 0.10 0.00 -1.10 0.00 0.00 41.96 38.64 3hsp s TYR 562 CO -0.04 -0.14 1.23 0.78 -2.51 0.00 0.00 175.55 174.87 3hsp h GLY 563 N 0.99 0.00 -7.69 5.49 0.00 -1.45 -3.46 103.07 96.96 3hsp h GLY 563 Ca -0.47 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.18 3hsp h GLY 563 CO 0.63 0.00 -0.70 -2.27 0.00 0.00 0.00 176.54 174.21 3hsp s LEU 564 N -5.75 3.85 -0.20 3.11 2.96 -1.26 -4.59 118.68 116.80 3hsp s LEU 564 Ca 0.02 -1.20 -0.23 0.00 -0.22 0.00 0.00 54.13 52.49 3hsp s LEU 564 Cb 0.08 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3hsp s LEU 564 CO 0.75 -0.25 0.76 -2.16 -1.32 0.00 0.00 176.35 174.13 3hsp s PRO 565 N 1.28 4.24 -0.42 0.98 0.04 -1.26 -4.67 135.00 135.18 3hsp s PRO 565 Ca -0.04 0.85 0.04 0.00 0.04 0.00 0.00 61.00 61.89 3hsp s PRO 565 Cb -0.19 -3.59 0.17 0.00 0.04 0.00 0.00 34.50 30.92 3hsp s PRO 565 CO -0.01 -0.34 0.34 0.00 0.04 0.00 0.00 177.00 177.03 3hsp s ALA 566 N 2.24 1.49 0.11 8.56 0.00 -1.26 -3.03 121.76 129.86 3hsp s ALA 566 Ca 0.34 -2.49 -0.33 0.00 0.00 0.00 0.00 51.96 49.47 3hsp s ALA 566 Cb -0.16 -1.62 -0.12 0.00 0.00 0.00 0.00 23.12 21.22 3hsp s ALA 566 CO 0.10 -1.98 1.72 0.28 0.00 0.00 0.00 175.76 175.88 3hsp n VAL 567 N 2.85 0.21 -0.42 0.00 0.31 -0.71 -1.31 118.33 119.27 3hsp n VAL 567 Ca 0.29 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3hsp n VAL 567 Cb 0.47 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3hsp n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hsp n SER 568 N 4.69 0.75 -0.71 4.52 3.41 -0.14 -1.45 113.62 124.70 3hsp n SER 568 Ca 0.18 -1.17 0.07 0.00 -0.26 0.00 0.00 58.87 57.69 3hsp n SER 568 Cb 0.32 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.41 3hsp n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hsp n ASN 569 N -0.09 2.81 -4.94 4.04 6.94 -1.23 -4.45 115.26 118.35 3hsp n ASN 569 Ca 0.00 -1.86 -0.24 0.00 -0.02 0.00 0.00 54.58 52.46 3hsp n ASN 569 Cb 0.18 -0.19 0.03 0.00 -2.36 0.00 0.00 39.78 37.44 3hsp n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hsp s MET 570 N -1.05 2.77 -0.16 -3.83 -1.94 -1.26 -4.42 119.30 109.42 3hsp s MET 570 Ca 0.24 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.86 3hsp s MET 570 Cb 0.14 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 3hsp s MET 570 CO 0.19 -0.66 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.26 3hsp s LEU 571 N -4.85 2.76 -0.27 -0.03 0.20 -0.09 -4.26 118.68 112.13 3hsp s LEU 571 Ca 0.54 -0.35 -0.15 0.00 0.69 0.00 0.00 54.13 54.86 3hsp s LEU 571 Cb -0.10 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 3hsp s LEU 571 CO 0.41 0.11 0.39 -0.22 -0.29 0.00 0.00 176.35 176.75 3hsp s LEU 572 N 0.70 4.04 -0.25 -0.68 2.96 -0.09 -0.41 118.68 124.95 3hsp s LEU 572 Ca -0.05 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.08 3hsp s LEU 572 Cb -0.15 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 3hsp s LEU 572 CO 0.02 -0.19 0.11 -0.70 -1.32 0.00 0.00 176.35 174.26 3hsp s GLU 573 N 2.09 3.77 -0.07 1.98 2.12 0.59 -0.41 118.70 128.78 3hsp s GLU 573 Ca 0.15 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.08 3hsp s GLU 573 Cb -0.16 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.82 3hsp s GLU 573 CO 0.10 -0.15 -0.08 0.42 -0.54 0.00 0.00 175.26 175.00 3hsp s ILE 574 N 1.58 0.87 -1.27 -3.70 1.01 -0.57 -1.71 121.20 117.41 3hsp s ILE 574 Ca 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3hsp s ILE 574 Cb -0.15 -0.85 0.09 0.00 0.01 0.00 0.00 42.46 41.56 3hsp s ILE 574 CO 0.06 0.31 0.48 0.61 0.00 0.00 0.00 174.94 176.39 3hsp n GLY 575 N 4.16 -0.47 2.58 6.18 0.00 -1.26 0.02 105.19 116.39 3hsp n GLY 575 Ca -0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hsp n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsp n GLY 576 N -1.12 2.85 3.80 -0.02 0.00 -1.26 -3.31 105.19 106.13 3hsp n GLY 576 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hsp n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsp s LEU 577 N 0.00 4.02 -0.21 0.99 1.43 0.10 -4.93 118.68 120.09 3hsp s LEU 577 Ca 0.00 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 3hsp s LEU 577 Cb 0.00 -4.40 0.03 0.00 0.03 0.00 0.00 46.19 41.84 3hsp s LEU 577 CO 0.00 -0.42 -0.16 -1.61 0.23 0.00 0.00 176.35 174.38 3hsp s GLU 578 N -2.90 2.83 -0.46 1.70 2.02 -1.26 -1.51 118.70 119.12 3hsp s GLU 578 Ca 0.61 -0.95 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 3hsp s GLU 578 Cb -0.14 -2.69 0.12 0.00 0.10 0.00 0.00 34.13 31.51 3hsp s GLU 578 CO 0.18 -0.30 0.32 -0.06 0.02 0.00 0.00 175.26 175.42 3hsp s PHE 579 N 1.26 3.46 -0.42 1.61 0.08 0.45 -0.58 117.98 123.84 3hsp s PHE 579 Ca 0.02 -1.99 0.25 0.00 0.12 0.00 0.00 56.93 55.33 3hsp s PHE 579 Cb -0.15 -3.45 0.60 0.00 -0.57 0.00 0.00 43.02 39.45 3hsp s PHE 579 CO -0.10 -0.99 1.70 0.66 -0.10 0.00 0.00 175.22 176.39 3hsp h SER 580 N 8.36 0.00 -3.72 1.36 4.64 -1.81 -0.21 113.55 122.17 3hsp h SER 580 Ca -0.19 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.49 3hsp h SER 580 Cb 1.07 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.78 3hsp h SER 580 CO 0.83 0.00 -0.79 0.00 -0.87 0.00 0.00 176.83 176.00 3hsp s ALA 581 N -3.26 2.25 -0.38 5.18 0.00 -1.20 -4.64 121.76 119.71 3hsp s ALA 581 Ca 0.07 -1.60 0.11 0.00 0.00 0.00 0.00 51.96 50.54 3hsp s ALA 581 Cb 0.07 -1.53 0.40 0.00 0.00 0.00 0.00 23.12 22.05 3hsp s ALA 581 CO 0.63 -1.24 1.16 0.00 0.00 0.00 0.00 175.76 176.31 3hsp n PRO 583 N -0.23 2.33 -4.19 0.00 -0.04 -1.21 -4.63 135.00 127.02 3hsp n PRO 583 Ca 0.04 0.82 -0.14 0.00 -0.04 0.00 0.00 63.50 64.18 3hsp n PRO 583 Cb 0.80 -2.47 -0.11 0.00 -0.04 0.00 0.00 33.50 31.69 3hsp n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hsp s PHE 584 N -0.93 1.07 -0.00 0.54 -0.12 -0.53 -2.09 117.98 115.92 3hsp s PHE 584 Ca 0.56 -0.72 -0.08 0.00 -0.05 0.00 0.00 56.93 56.65 3hsp s PHE 584 Cb -0.54 -0.58 0.00 0.00 -0.63 0.00 0.00 43.02 41.27 3hsp s PHE 584 CO 0.61 -0.01 0.15 -1.54 -0.05 0.00 0.00 175.22 174.38 3hsp s SER 585 N -2.68 0.00 0.00 1.98 1.04 0.14 -1.73 113.70 112.45 3hsp s SER 585 Ca 0.09 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3hsp s SER 585 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3hsp s SER 585 CO -0.01 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3hsp n GLY 586 N 1.56 3.19 3.24 7.32 0.00 -1.17 -1.96 105.19 117.37 3hsp n GLY 586 Ca -0.22 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3hsp n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hsp s TRP 587 N 3.06 -0.03 0.44 1.61 -2.14 -1.26 -4.64 118.94 115.98 3hsp s TRP 587 Ca 0.00 -0.24 -0.24 0.00 2.66 0.00 0.00 56.10 58.28 3hsp s TRP 587 Cb 0.00 0.07 -0.08 0.00 -3.10 0.00 0.00 33.47 30.36 3hsp s TRP 587 CO 0.00 -0.55 1.17 0.71 -2.66 0.00 0.00 176.95 175.62 3hsp s TYR 588 N -3.22 2.94 -0.02 1.66 2.02 -1.26 -4.88 117.35 114.59 3hsp s TYR 588 Ca -0.00 1.54 -0.17 0.00 -0.37 0.00 0.00 57.07 58.07 3hsp s TYR 588 Cb 0.01 -3.39 -0.05 0.00 -0.40 0.00 0.00 41.96 38.13 3hsp s TYR 588 CO -0.08 -1.46 0.47 1.41 -1.57 0.00 0.00 175.55 174.32 3hsp s MET 589 N -2.55 4.11 0.27 -0.62 -2.45 -1.26 -0.92 119.30 115.88 3hsp s MET 589 Ca 0.61 0.50 0.00 0.00 -1.25 0.00 0.00 55.69 55.55 3hsp s MET 589 Cb -0.30 -3.29 0.52 0.00 1.25 0.00 0.00 34.83 33.02 3hsp s MET 589 CO 0.36 0.52 1.83 0.78 1.05 0.00 0.00 175.02 179.56 3hsp h GLY 590 N 5.28 1.56 1.71 2.11 0.00 -1.21 -1.04 103.07 111.48 3hsp h GLY 590 Ca -0.48 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 46.49 3hsp h GLY 590 CO 0.66 0.14 0.11 -0.91 0.00 0.00 0.00 176.54 176.54 3hsp h THR 591 N 0.93 0.71 -0.67 4.70 1.35 -1.94 -1.48 112.91 116.51 3hsp h THR 591 Ca 0.48 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.41 3hsp h THR 591 Cb 0.48 0.92 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 3hsp h THR 591 CO -0.27 0.00 0.35 -0.33 -0.25 0.00 0.00 175.52 175.02 3hsp h GLU 592 N 0.00 0.61 0.00 4.72 5.08 -1.59 -0.60 114.58 122.81 3hsp h GLU 592 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hsp h GLU 592 Cb 0.27 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hsp h GLU 592 CO -0.00 0.41 -0.25 0.82 -1.00 0.00 0.00 179.01 178.98 3hsp h ILE 593 N 0.63 0.20 -0.80 3.13 2.04 -1.52 -1.61 117.51 119.58 3hsp h ILE 593 Ca 0.31 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 3hsp h ILE 593 Cb 0.26 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3hsp h ILE 593 CO -0.22 0.07 0.40 1.23 0.00 0.00 0.00 178.15 179.62 3hsp h GLY 594 N -1.00 1.22 0.00 5.37 0.00 -1.34 0.45 103.07 107.77 3hsp h GLY 594 Ca -0.02 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.55 3hsp h GLY 594 CO -0.01 0.56 -1.07 -0.62 0.00 0.00 0.00 176.54 175.40 3hsp n VAL 595 N -4.32 1.50 -0.07 4.60 0.31 -0.27 -3.92 118.33 116.16 3hsp n VAL 595 Ca 0.08 0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.36 3hsp n VAL 595 Cb 0.13 -2.14 -0.05 0.00 -0.91 0.00 0.00 33.84 30.87 3hsp n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hsp h ARG 596 N -1.00 0.00 -0.28 5.55 2.47 -1.43 -2.33 114.38 117.37 3hsp h ARG 596 Ca -0.26 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.37 3hsp h ARG 596 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 3hsp h ARG 596 CO -0.15 0.37 -0.21 -0.44 0.56 0.00 0.00 179.97 180.09 3hsp h ASP 597 N -1.00 0.51 0.40 7.04 3.32 -0.78 -2.55 116.42 123.35 3hsp h ASP 597 Ca -0.08 -0.16 -0.29 0.00 0.02 0.00 0.00 57.03 56.52 3hsp h ASP 597 Cb 0.63 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 3hsp h ASP 597 CO -0.05 0.73 -1.83 -1.22 -1.72 0.00 0.00 179.24 175.14 3hsp n TYR 598 N -4.14 0.76 0.09 4.55 4.01 0.10 -1.86 117.16 120.67 3hsp n TYR 598 Ca -0.00 0.27 0.03 0.00 -0.16 0.00 0.00 57.90 58.04 3hsp n TYR 598 Cb 0.38 -1.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.25 3hsp n TYR 598 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsp n ASP 600 N -1.54 2.26 -0.01 0.00 9.92 -0.96 -4.61 116.55 121.60 3hsp n ASP 600 Ca -0.00 1.16 0.06 0.00 -0.53 0.00 0.00 54.79 55.47 3hsp n ASP 600 Cb 0.14 -1.37 0.45 0.00 -0.64 0.00 0.00 41.12 39.70 3hsp n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3hsp h ASN 601 N 3.53 0.43 -0.24 -2.24 -1.24 -1.93 -0.96 115.58 112.93 3hsp h ASN 601 Ca -0.44 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.56 3hsp h ASN 601 Cb 1.30 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.25 3hsp h ASN 601 CO 0.71 0.30 0.00 -1.54 -1.29 0.00 0.00 177.43 175.61 3hsp n SER 602 N -4.48 1.89 0.00 1.15 3.41 -1.26 -4.60 113.62 109.73 3hsp n SER 602 Ca 0.05 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 3hsp n SER 602 Cb 0.14 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3hsp n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hsp n ARG 603 N 0.48 0.05 0.11 4.33 5.12 -0.38 -4.31 116.66 122.06 3hsp n ARG 603 Ca 0.15 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.20 3hsp n ARG 603 Cb 0.34 0.00 0.42 0.00 -1.16 0.00 0.00 32.46 32.07 3hsp n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3hsp n TYR 604 N 0.00 0.93 -3.88 -1.55 4.02 -0.77 -4.55 117.16 111.35 3hsp n TYR 604 Ca 0.00 0.29 -0.34 0.00 -0.01 0.00 0.00 57.90 57.84 3hsp n TYR 604 Cb 0.00 -0.97 0.01 0.00 -0.02 0.00 0.00 39.34 38.36 3hsp n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hsp n ASN 605 N -2.28 -3.46 -0.39 7.72 5.15 -0.23 -4.89 115.26 116.88 3hsp n ASN 605 Ca 0.05 -1.10 0.11 0.00 -0.60 0.00 0.00 54.58 53.04 3hsp n ASN 605 Cb 0.39 -2.76 0.08 0.00 -0.53 0.00 0.00 39.78 36.96 3hsp n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3hsp n ILE 606 N -4.48 0.00 -0.17 -1.44 -5.35 -0.25 -4.64 119.36 103.03 3hsp n ILE 606 Ca -0.16 -0.20 -0.04 0.00 -0.27 0.00 0.00 62.75 62.07 3hsp n ILE 606 Cb 0.61 1.02 0.02 0.00 -1.74 0.00 0.00 39.64 39.55 3hsp n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hsp h LEU 607 N 1.93 -0.87 -0.35 7.28 3.38 -1.87 -1.62 115.31 123.19 3hsp h LEU 607 Ca 0.00 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3hsp h LEU 607 Cb 0.68 0.46 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3hsp h LEU 607 CO 0.00 -0.27 0.09 -0.33 0.09 0.00 0.00 178.44 178.02 3hsp h GLU 608 N -0.13 0.21 -0.39 1.13 5.08 -1.99 0.16 114.58 118.65 3hsp h GLU 608 Ca 0.23 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3hsp h GLU 608 Cb 0.50 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 3hsp h GLU 608 CO -0.60 0.14 -0.02 0.93 -1.00 0.00 0.00 179.01 178.45 3hsp h GLU 609 N 0.22 0.07 -0.35 2.33 5.08 -1.67 0.89 114.58 121.15 3hsp h GLU 609 Ca 0.16 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 3hsp h GLU 609 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3hsp h GLU 609 CO -0.20 0.05 -0.27 0.28 -1.00 0.00 0.00 179.01 177.87 3hsp h VAL 610 N 0.08 1.29 -0.35 3.13 2.07 -0.94 -2.64 116.25 118.89 3hsp h VAL 610 Ca 0.19 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3hsp h VAL 610 Cb 0.28 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3hsp h VAL 610 CO -0.34 0.47 0.19 0.00 0.02 0.00 0.00 177.57 177.90 3hsp h ALA 611 N 0.76 0.43 -0.55 1.67 0.00 -0.38 -1.29 119.26 119.90 3hsp h ALA 611 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hsp h ALA 611 Cb 0.84 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3hsp h ALA 611 CO 0.07 -0.17 0.21 0.87 0.00 0.00 0.00 179.25 180.23 3hsp h LYS 612 N 0.39 0.39 0.00 0.00 1.57 -0.74 -1.37 116.57 116.81 3hsp h LYS 612 Ca 0.14 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3hsp h LYS 612 Cb 0.03 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3hsp h LYS 612 CO -0.08 0.26 -0.03 0.87 -0.57 0.00 0.00 179.45 179.90 3hsp h LYS 613 N 0.40 0.00 0.00 3.15 1.57 -1.04 -1.58 116.57 119.07 3hsp h LYS 613 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3hsp h LYS 613 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hsp h LYS 613 CO -0.26 0.03 -0.28 -1.33 -0.57 0.00 0.00 179.45 177.04 3hsp n MET 614 N -3.13 0.07 -3.32 3.15 2.81 -0.54 -4.95 117.12 111.21 3hsp n MET 614 Ca 0.01 0.04 -0.21 0.00 -1.81 0.00 0.00 57.70 55.72 3hsp n MET 614 Cb 0.34 -1.56 0.06 0.00 -0.71 0.00 0.00 33.22 31.35 3hsp n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hsp n ASP 615 N -1.68 -5.90 -4.80 7.83 2.03 -0.59 -5.01 116.55 108.44 3hsp n ASP 615 Ca 0.06 -0.41 -0.30 0.00 0.52 0.00 0.00 54.79 54.65 3hsp n ASP 615 Cb 0.36 -4.59 0.08 0.00 -0.72 0.00 0.00 41.12 36.26 3hsp n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hsp s LEU 616 N -6.51 2.73 -0.60 -2.67 1.43 -1.10 -4.96 118.68 107.00 3hsp s LEU 616 Ca 0.45 1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 54.69 3hsp s LEU 616 Cb -0.20 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 41.97 3hsp s LEU 616 CO 0.56 -1.88 1.15 -0.62 0.23 0.00 0.00 176.35 175.79 3hsp s ASP 617 N -3.83 6.38 0.00 2.29 2.15 -1.26 -4.87 116.67 117.53 3hsp s ASP 617 Ca 0.60 -0.08 0.20 0.00 0.43 0.00 0.00 52.55 53.70 3hsp s ASP 617 Cb -0.15 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.51 3hsp s ASP 617 CO 0.55 -1.47 1.47 0.23 -0.17 0.00 0.00 175.17 175.77 3hsp n MET 618 N 8.34 2.74 0.00 4.34 2.81 -1.26 -4.35 117.12 129.74 3hsp n MET 618 Ca 0.06 -2.51 0.14 0.00 -1.81 0.00 0.00 57.70 53.57 3hsp n MET 618 Cb 0.49 -1.50 0.53 0.00 -0.71 0.00 0.00 33.22 32.02 3hsp n MET 618 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3hsp n ARG 619 N 1.41 0.04 -3.80 0.03 0.00 -1.26 -4.80 116.66 108.27 3hsp n ARG 619 Ca 0.22 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.85 57.92 3hsp n ARG 619 Cb 0.58 -1.50 -0.15 0.00 -0.00 0.00 0.00 32.46 31.39 3hsp n ARG 619 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3hsp s LYS 620 N -2.97 -0.02 0.55 2.89 -2.85 -1.26 -5.03 119.74 111.05 3hsp s LYS 620 Ca 0.14 0.13 0.22 0.00 -1.00 0.00 0.00 55.97 55.46 3hsp s LYS 620 Cb 0.19 -0.16 1.50 0.00 -2.06 0.00 0.00 37.83 37.29 3hsp s LYS 620 CO 0.57 -0.11 2.17 1.79 0.10 0.00 0.00 175.35 179.87 3hsp h THR 621 N 5.90 0.78 0.00 3.79 1.35 -1.91 -2.86 112.91 119.96 3hsp h THR 621 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3hsp h THR 621 Cb 1.15 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3hsp h THR 621 CO 0.49 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.22 3hsp n SER 622 N -4.23 0.00 0.04 5.36 3.41 -1.26 -1.17 113.62 115.77 3hsp n SER 622 Ca -0.02 -0.17 0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3hsp n SER 622 Cb 0.15 -0.26 0.40 0.00 -0.26 0.00 0.00 64.21 64.24 3hsp n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hsp n SER 623 N -1.26 0.21 -3.18 4.04 3.41 -1.08 -4.92 113.62 110.85 3hsp n SER 623 Ca 0.14 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 59.06 3hsp n SER 623 Cb 0.20 -0.59 0.03 0.00 -0.26 0.00 0.00 64.21 63.59 3hsp n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hsp n LEU 624 N -1.73 -2.37 -0.25 1.04 4.77 -0.32 -4.90 117.00 113.24 3hsp n LEU 624 Ca 0.04 -0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 55.60 3hsp n LEU 624 Cb 0.22 -2.71 0.06 0.00 -2.33 0.00 0.00 43.42 38.67 3hsp n LEU 624 CO 0.18 0.24 0.96 4.11 -1.33 0.00 0.00 177.39 181.55 3hsp h TRP 625 N -1.36 1.17 -0.91 -1.77 5.08 -1.83 -1.17 115.95 115.17 3hsp h TRP 625 Ca -0.50 -0.13 0.15 0.00 1.08 0.00 0.00 58.89 59.49 3hsp h TRP 625 Cb 1.34 -0.33 -0.10 0.00 -3.00 0.00 0.00 29.16 27.07 3hsp h TRP 625 CO 0.57 0.95 0.51 0.87 -1.28 0.00 0.00 178.44 180.06 3hsp h LYS 626 N 1.07 0.70 0.03 0.12 1.57 -1.90 -0.95 116.57 117.20 3hsp h LYS 626 Ca 0.22 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.74 3hsp h LYS 626 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hsp h LYS 626 CO 0.00 0.46 -0.98 -0.44 -0.57 0.00 0.00 179.45 177.92 3hsp h ASP 627 N 0.72 0.34 0.22 0.86 5.19 -1.77 -1.35 116.42 120.63 3hsp h ASP 627 Ca 0.50 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3hsp h ASP 627 Cb 0.69 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.10 3hsp h ASP 627 CO -0.35 1.14 -0.11 1.56 -3.12 0.00 0.00 179.24 178.36 3hsp h GLN 628 N 0.12 -0.29 -0.49 3.56 4.20 -0.88 -2.49 115.11 118.85 3hsp h GLN 628 Ca -0.07 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.76 3hsp h GLN 628 Cb 1.64 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 29.39 3hsp h GLN 628 CO 0.16 0.09 -0.25 0.00 -0.67 0.00 0.00 178.83 178.16 3hsp h ALA 629 N -0.23 0.07 -0.67 3.87 0.00 -1.26 -2.47 119.26 118.57 3hsp h ALA 629 Ca -0.03 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.18 3hsp h ALA 629 Cb 0.51 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 3hsp h ALA 629 CO 0.05 -0.60 0.10 1.25 0.00 0.00 0.00 179.25 180.06 3hsp h LEU 630 N -0.14 -0.09 -0.89 0.00 5.85 -1.22 0.65 115.31 119.47 3hsp h LEU 630 Ca 0.22 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 3hsp h LEU 630 Cb 0.49 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3hsp h LEU 630 CO -0.57 -0.06 0.30 0.58 -0.34 0.00 0.00 178.44 178.35 3hsp h VAL 631 N 0.21 1.25 -0.24 1.05 2.07 -0.99 -2.06 116.25 117.53 3hsp h VAL 631 Ca 0.36 -0.78 -0.19 0.00 0.82 0.00 0.00 66.70 66.91 3hsp h VAL 631 Cb 0.60 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3hsp h VAL 631 CO -0.50 0.32 -0.61 -0.33 0.02 0.00 0.00 177.57 176.47 3hsp h GLU 632 N 1.09 0.82 -0.94 1.57 4.39 -0.83 -0.17 114.58 120.51 3hsp h GLU 632 Ca 0.25 -0.56 0.08 0.00 0.34 0.00 0.00 59.36 59.47 3hsp h GLU 632 Cb 0.20 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 3hsp h GLU 632 CO -0.02 1.19 0.61 0.82 -1.16 0.00 0.00 179.01 180.44 3hsp h ILE 633 N 0.61 1.02 0.00 3.13 2.04 -0.67 -1.83 117.51 121.80 3hsp h ILE 633 Ca -0.00 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 3hsp h ILE 633 Cb 1.22 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3hsp h ILE 633 CO 0.13 0.18 -0.51 0.78 0.00 0.00 0.00 178.15 178.74 3hsp h ASN 634 N 1.01 0.00 -0.54 1.72 2.35 -1.00 -2.33 115.58 116.79 3hsp h ASN 634 Ca 0.42 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.07 3hsp h ASN 634 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3hsp h ASN 634 CO -0.18 0.51 -0.07 0.40 -1.65 0.00 0.00 177.43 176.45 3hsp h ILE 635 N 0.00 1.27 0.05 2.81 2.04 -0.49 -2.97 117.51 120.22 3hsp h ILE 635 Ca -0.01 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 3hsp h ILE 635 Cb 1.39 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3hsp h ILE 635 CO 0.07 0.43 -0.03 0.00 0.00 0.00 0.00 178.15 178.62 3hsp h ALA 636 N 1.00 -0.07 0.01 1.87 0.00 -1.27 -1.57 119.26 119.22 3hsp h ALA 636 Ca 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hsp h ALA 636 Cb 0.62 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3hsp h ALA 636 CO 0.04 -0.40 -0.44 0.28 0.00 0.00 0.00 179.25 178.73 3hsp h VAL 637 N -0.35 0.12 -0.86 0.00 2.07 -1.50 -0.25 116.25 115.49 3hsp h VAL 637 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3hsp h VAL 637 Cb 0.31 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 3hsp h VAL 637 CO 0.01 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.06 3hsp h LEU 638 N -0.60 0.84 -0.34 2.57 3.38 -1.51 -2.22 115.31 117.42 3hsp h LEU 638 Ca 0.04 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3hsp h LEU 638 Cb 0.67 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hsp h LEU 638 CO -0.32 0.54 -0.38 0.22 0.09 0.00 0.00 178.44 178.58 3hsp h TYR 639 N 0.97 1.05 -0.31 1.13 3.20 -1.08 -1.42 116.97 120.50 3hsp h TYR 639 Ca 0.37 -0.32 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hsp h TYR 639 Cb 0.17 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3hsp h TYR 639 CO -0.03 1.13 0.18 0.77 -1.64 0.00 0.00 178.16 178.57 3hsp h SER 640 N 0.66 0.38 -0.17 -2.11 0.02 -0.77 -0.69 113.55 110.86 3hsp h SER 640 Ca 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3hsp h SER 640 Cb 0.98 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3hsp h SER 640 CO 0.09 0.33 0.05 -0.26 -1.14 0.00 0.00 176.83 175.91 3hsp h PHE 641 N 0.39 0.28 -0.99 3.45 -1.00 -1.40 -2.54 116.94 115.13 3hsp h PHE 641 Ca 0.11 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.87 3hsp h PHE 641 Cb 0.03 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 3hsp h PHE 641 CO -0.04 0.38 0.64 1.96 -1.61 0.00 0.00 178.31 179.64 3hsp h GLN 642 N 0.10 1.32 -0.01 1.51 4.20 -1.19 0.01 115.11 121.05 3hsp h GLN 642 Ca 0.05 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 3hsp h GLN 642 Cb 0.23 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3hsp h GLN 642 CO -0.00 0.89 -0.65 0.77 -0.67 0.00 0.00 178.83 179.16 3hsp h SER 643 N 1.35 0.06 -0.04 1.46 0.02 -1.11 -1.89 113.55 113.40 3hsp h SER 643 Ca 0.36 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3hsp h SER 643 Cb -0.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3hsp h SER 643 CO -0.08 0.69 0.00 0.47 -1.14 0.00 0.00 176.83 176.78 3hsp n ASP 644 N -3.78 1.05 -3.53 3.07 8.00 -0.96 -4.94 116.55 115.46 3hsp n ASP 644 Ca -0.01 -1.41 -0.22 0.00 0.71 0.00 0.00 54.79 53.85 3hsp n ASP 644 Cb 0.65 -0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.81 3hsp n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hsp n LYS 645 N -0.16 -7.64 -3.99 -1.24 5.02 -0.56 -5.01 118.16 104.58 3hsp n LYS 645 Ca 0.19 0.82 -0.35 0.00 -2.02 0.00 0.00 58.31 56.95 3hsp n LYS 645 Cb 0.27 -5.85 -0.11 0.00 -0.02 0.00 0.00 35.03 29.32 3hsp n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hsp s VAL 646 N -3.32 4.40 0.13 -0.18 1.01 -0.12 -4.33 120.40 117.98 3hsp s VAL 646 Ca 0.46 -0.16 -0.35 0.00 0.00 0.00 0.00 61.98 61.93 3hsp s VAL 646 Cb -0.20 -3.00 -0.16 0.00 0.00 0.00 0.00 36.38 33.02 3hsp s VAL 646 CO 0.72 0.42 1.31 0.41 0.00 0.00 0.00 175.10 177.96 3hsp n THR 647 N 4.11 0.34 -3.63 3.92 -1.04 0.00 -4.28 114.28 113.70 3hsp n THR 647 Ca -0.17 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 61.61 3hsp n THR 647 Cb 0.52 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 68.02 3hsp n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3hsp s ILE 648 N 0.28 0.03 -0.04 12.58 2.07 -1.26 -4.47 121.20 130.40 3hsp s ILE 648 Ca 0.79 -0.24 0.04 0.00 -1.41 0.00 0.00 60.65 59.84 3hsp s ILE 648 Cb -0.87 -0.85 -0.00 0.00 0.13 0.00 0.00 42.46 40.87 3hsp s ILE 648 CO 0.48 -0.13 -0.17 0.54 -1.91 0.00 0.00 174.94 173.75 3hsp s VAL 649 N -1.46 1.40 0.62 4.00 0.11 -0.10 -4.99 120.40 119.98 3hsp s VAL 649 Ca -0.11 -0.71 -0.11 0.00 -2.93 0.00 0.00 61.98 58.12 3hsp s VAL 649 Cb -0.02 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 3hsp s VAL 649 CO 0.06 0.40 1.03 1.51 -3.33 0.00 0.00 175.10 174.77 3hsp s ASP 650 N -0.02 6.15 0.51 3.54 1.47 -1.26 -0.65 116.67 126.41 3hsp s ASP 650 Ca -0.02 1.37 0.29 0.00 1.18 0.00 0.00 52.55 55.37 3hsp s ASP 650 Cb -0.11 -2.41 1.29 0.00 -0.34 0.00 0.00 42.92 41.36 3hsp s ASP 650 CO 0.02 -0.91 1.97 1.12 0.68 0.00 0.00 175.17 178.05 3hsp h HIS 651 N -0.34 0.00 0.13 2.11 2.07 -1.98 -0.27 115.15 116.87 3hsp h HIS 651 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 3hsp h HIS 651 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3hsp h HIS 651 CO 0.64 0.11 -0.06 0.45 -3.07 0.00 0.00 177.93 176.00 3hsp h HIS 652 N 0.00 -0.16 -0.48 6.12 3.86 -1.96 -2.17 115.15 120.36 3hsp h HIS 652 Ca -0.00 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hsp h HIS 652 Cb 0.53 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3hsp h HIS 652 CO 0.00 0.26 0.26 1.03 0.86 0.00 0.00 177.93 180.35 3hsp h SER 653 N -0.64 0.60 -0.17 2.45 0.87 -1.91 -1.89 113.55 112.86 3hsp h SER 653 Ca -0.02 -0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3hsp h SER 653 Cb 0.49 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3hsp h SER 653 CO 0.03 0.52 -0.01 0.00 -0.53 0.00 0.00 176.83 176.83 3hsp h ALA 654 N 1.11 0.14 -0.25 6.23 0.00 -1.10 -1.96 119.26 123.42 3hsp h ALA 654 Ca 0.17 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3hsp h ALA 654 Cb 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hsp h ALA 654 CO -0.03 -0.45 -0.38 1.79 0.00 0.00 0.00 179.25 180.18 3hsp h THR 655 N 0.04 1.29 -0.67 0.00 1.35 -1.27 -1.99 112.91 111.66 3hsp h THR 655 Ca 0.08 -1.53 -0.06 0.00 -0.55 0.00 0.00 66.41 64.35 3hsp h THR 655 Cb 0.11 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 3hsp h THR 655 CO -0.15 0.48 0.19 -0.08 -0.25 0.00 0.00 175.52 175.72 3hsp h GLU 656 N 0.48 1.05 -0.73 4.72 4.81 -1.22 -1.40 114.58 122.29 3hsp h GLU 656 Ca 0.05 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3hsp h GLU 656 Cb 0.88 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3hsp h GLU 656 CO 0.08 0.91 0.39 0.66 -0.73 0.00 0.00 179.01 180.31 3hsp h SER 657 N 1.00 0.93 -0.61 1.04 4.64 -1.14 -1.96 113.55 117.46 3hsp h SER 657 Ca 0.22 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3hsp h SER 657 Cb 0.31 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3hsp h SER 657 CO -0.00 0.77 -0.00 0.15 -0.87 0.00 0.00 176.83 176.87 3hsp h PHE 658 N 1.02 1.18 0.08 4.77 3.57 -0.86 0.10 116.94 126.80 3hsp h PHE 658 Ca 0.26 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hsp h PHE 658 Cb 0.06 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 3hsp h PHE 658 CO 0.00 1.04 -0.07 0.82 -2.23 0.00 0.00 178.31 177.86 3hsp h ILE 659 N 0.99 0.83 -0.73 1.41 1.08 -1.08 0.52 117.51 120.52 3hsp h ILE 659 Ca 0.17 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.79 3hsp h ILE 659 Cb 0.57 0.83 -0.10 0.00 -3.07 0.00 0.00 36.82 35.05 3hsp h ILE 659 CO 0.03 0.00 0.25 0.50 -0.69 0.00 0.00 178.15 178.25 3hsp h LYS 660 N -0.17 0.37 -0.39 2.37 3.64 -1.13 -1.68 116.57 119.58 3hsp h LYS 660 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3hsp h LYS 660 Cb 0.16 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3hsp h LYS 660 CO -0.02 0.25 0.16 1.25 -2.27 0.00 0.00 179.45 178.82 3hsp h HIS 661 N 0.38 0.59 -0.29 1.91 2.76 -0.14 -0.54 115.15 119.82 3hsp h HIS 661 Ca 0.40 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.59 3hsp h HIS 661 Cb 0.63 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 3hsp h HIS 661 CO -0.19 0.53 -0.06 0.52 -1.30 0.00 0.00 177.93 177.42 3hsp h MET 662 N 0.49 0.02 -0.20 5.26 2.86 0.46 0.27 114.93 124.09 3hsp h MET 662 Ca 0.13 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3hsp h MET 662 Cb 0.18 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3hsp h MET 662 CO -0.01 0.01 0.11 0.93 1.06 0.00 0.00 176.91 179.01 3hsp h GLU 663 N 0.02 0.22 -0.20 1.72 5.08 -1.21 0.42 114.58 120.63 3hsp h GLU 663 Ca 0.14 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3hsp h GLU 663 Cb 0.21 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3hsp h GLU 663 CO -0.29 0.15 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.70 3hsp h ASN 664 N 0.23 -0.83 -0.58 1.42 2.35 -0.74 -1.21 115.58 116.22 3hsp h ASN 664 Ca 0.08 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3hsp h ASN 664 Cb 0.01 0.38 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 3hsp h ASN 664 CO -0.05 -0.30 0.32 -0.33 -1.65 0.00 0.00 177.43 175.42 3hsp h GLU 665 N -0.29 0.82 -0.58 0.81 4.39 0.01 -0.05 114.58 119.68 3hsp h GLU 665 Ca 0.12 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.77 3hsp h GLU 665 Cb 0.48 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 3hsp h GLU 665 CO -0.37 0.63 0.32 1.88 -1.16 0.00 0.00 179.01 180.31 3hsp h TYR 666 N 0.79 0.59 0.17 4.33 -1.99 -0.03 0.11 116.97 120.94 3hsp h TYR 666 Ca 0.21 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 3hsp h TYR 666 Cb 0.05 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.60 3hsp h TYR 666 CO -0.01 0.30 -0.08 -0.09 -0.00 0.00 0.00 178.16 178.28 3hsp h ARG 667 N 0.61 -0.22 0.00 4.88 2.43 -0.65 -1.39 114.38 120.05 3hsp h ARG 667 Ca 0.25 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3hsp h ARG 667 Cb 0.11 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hsp h ARG 667 CO -0.15 -0.03 -0.91 0.00 -1.51 0.00 0.00 179.97 177.37 3hsp n ARG 669 N -2.40 3.23 -0.60 0.00 0.63 0.33 -5.03 116.66 112.82 3hsp n ARG 669 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3hsp n ARG 669 Cb 0.50 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.87 3hsp n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hsp n GLY 670 N 0.96 0.67 0.00 5.14 0.00 -0.52 -4.58 105.19 106.86 3hsp n GLY 670 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3hsp n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsp n GLY 671 N -2.60 -1.94 3.15 -0.02 0.00 -1.18 -0.51 105.19 102.08 3hsp n GLY 671 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.82 3hsp n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsp s PRO 673 N 2.90 4.39 -0.14 0.00 0.04 -1.26 -4.62 135.00 136.30 3hsp s PRO 673 Ca 0.13 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 3hsp s PRO 673 Cb -0.11 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.26 3hsp s PRO 673 CO -0.19 -0.27 0.36 0.00 0.04 0.00 0.00 177.00 176.94 3hsp s ALA 674 N 0.34 -0.89 -0.51 8.56 0.00 -0.31 -4.17 121.76 124.79 3hsp s ALA 674 Ca 0.58 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 3hsp s ALA 674 Cb -0.36 -0.69 0.13 0.00 0.00 0.00 0.00 23.12 22.20 3hsp s ALA 674 CO 0.36 -0.20 0.44 0.34 0.00 0.00 0.00 175.76 176.70 3hsp s ASP 675 N 0.68 6.00 0.33 0.00 -1.08 0.54 -2.79 116.67 120.36 3hsp s ASP 675 Ca -0.04 -1.83 0.06 0.00 -0.52 0.00 0.00 52.55 50.22 3hsp s ASP 675 Cb -0.05 -2.13 0.72 0.00 -1.46 0.00 0.00 42.92 40.00 3hsp s ASP 675 CO -0.05 -0.79 1.88 -0.25 0.52 0.00 0.00 175.17 176.48 3hsp h TRP 676 N 8.72 0.91 -0.40 -5.34 7.01 -1.89 0.88 115.95 125.83 3hsp h TRP 676 Ca -0.27 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.79 3hsp h TRP 676 Cb 1.09 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 3hsp h TRP 676 CO 0.69 0.37 0.27 0.28 -2.79 0.00 0.00 178.44 177.26 3hsp h VAL 677 N 0.80 1.03 0.00 2.65 2.07 -1.92 -2.23 116.25 118.64 3hsp h VAL 677 Ca 0.44 -0.14 -0.24 0.00 0.82 0.00 0.00 66.70 67.58 3hsp h VAL 677 Cb 0.57 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3hsp h VAL 677 CO -0.20 0.08 -1.99 0.79 0.02 0.00 0.00 177.57 176.27 3hsp n TRP 678 N -4.48 0.36 0.11 1.57 7.02 0.16 -4.48 117.44 117.70 3hsp n TRP 678 Ca 0.04 0.12 -0.20 0.00 -1.02 0.00 0.00 57.50 56.45 3hsp n TRP 678 Cb 0.16 -0.95 -0.13 0.00 -2.42 0.00 0.00 31.31 27.97 3hsp n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3hsp h ILE 679 N 0.00 1.38 -2.81 -0.99 1.08 -0.87 -3.43 117.51 111.87 3hsp h ILE 679 Ca -0.32 -2.77 -0.55 0.00 -0.39 0.00 0.00 64.86 60.84 3hsp h ILE 679 Cb 1.81 2.87 -0.01 0.00 -3.07 0.00 0.00 36.82 38.42 3hsp h ILE 679 CO 0.03 0.82 0.93 -0.69 -0.69 0.00 0.00 178.15 178.55 3hsp s VAL 680 N -2.78 3.75 0.79 1.67 1.01 -0.87 -4.94 120.40 119.04 3hsp s VAL 680 Ca -0.07 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.82 3hsp s VAL 680 Cb 0.06 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.84 3hsp s VAL 680 CO 0.91 -0.05 1.22 -2.65 0.00 0.00 0.00 175.10 174.54 3hsp n PRO 681 N 6.13 0.30 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.97 3hsp n PRO 681 Ca 0.15 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3hsp n PRO 681 Cb 0.43 -2.46 0.74 0.00 -0.02 0.00 0.00 33.50 32.20 3hsp n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hsp n PRO 682 N -3.12 0.77 -4.14 0.52 -0.04 -1.26 -4.28 135.00 123.44 3hsp n PRO 682 Ca 0.14 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.43 3hsp n PRO 682 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 3hsp n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hsp s MET 683 N -2.02 0.74 -1.34 0.54 0.23 -1.26 -4.91 119.30 111.27 3hsp s MET 683 Ca 0.37 -0.90 -0.05 0.00 -1.03 0.00 0.00 55.69 54.08 3hsp s MET 683 Cb 0.17 -0.69 0.03 0.00 -1.53 0.00 0.00 34.83 32.81 3hsp s MET 683 CO 0.29 0.15 0.36 0.43 -2.03 0.00 0.00 175.02 174.22 3hsp n SER 684 N 1.32 -4.61 -0.34 -1.18 7.64 -1.26 -4.87 113.62 110.32 3hsp n SER 684 Ca -0.22 -0.18 -0.09 0.00 1.01 0.00 0.00 58.87 59.39 3hsp n SER 684 Cb 0.54 -3.81 -0.08 0.00 -1.01 0.00 0.00 64.21 59.85 3hsp n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsp n GLY 685 N -1.17 -2.39 0.02 0.23 0.00 -1.26 -1.60 105.19 99.03 3hsp n GLY 685 Ca -0.09 1.02 0.11 0.00 0.00 0.00 0.00 46.02 47.06 3hsp n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hsp n SER 686 N -4.91 0.12 -0.76 1.61 3.41 -1.26 -1.68 113.62 110.15 3hsp n SER 686 Ca 0.02 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 3hsp n SER 686 Cb 0.21 -0.55 0.20 0.00 -0.26 0.00 0.00 64.21 63.81 3hsp n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hsp n ILE 687 N -1.62 0.53 -4.20 -1.33 -5.35 -0.62 -4.80 119.36 101.96 3hsp n ILE 687 Ca 0.05 -0.55 -0.31 0.00 -0.27 0.00 0.00 62.75 61.68 3hsp n ILE 687 Cb 0.28 0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 38.39 3hsp n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hsp s THR 688 N -1.47 3.94 0.16 7.28 -4.23 -0.67 -5.03 115.64 115.62 3hsp s THR 688 Ca 0.29 -0.92 0.28 0.00 -1.18 0.00 0.00 61.69 60.16 3hsp s THR 688 Cb 0.15 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.45 3hsp s THR 688 CO 0.20 0.20 1.91 1.55 -0.54 0.00 0.00 174.62 177.94 3hsp h PRO 689 N 3.74 0.00 0.00 3.99 0.13 -1.87 -2.98 132.00 135.01 3hsp h PRO 689 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3hsp h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3hsp h PRO 689 CO 0.58 0.13 -0.19 -0.39 -0.23 0.00 0.00 178.00 177.90 3hsp h VAL 690 N 0.00 0.57 -0.72 1.56 -1.51 -1.88 -2.55 116.25 111.73 3hsp h VAL 690 Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3hsp h VAL 690 Cb 0.61 1.61 -0.04 0.00 -2.13 0.00 0.00 31.29 31.35 3hsp h VAL 690 CO 0.02 0.19 0.46 0.15 -1.23 0.00 0.00 177.57 177.15 3hsp h PHE 691 N 0.00 0.91 -0.03 5.19 3.04 -1.71 -2.17 116.94 122.17 3hsp h PHE 691 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3hsp h PHE 691 Cb 0.60 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3hsp h PHE 691 CO 0.00 0.59 0.00 0.72 -2.02 0.00 0.00 178.31 177.60 3hsp n HIS 692 N -4.41 0.03 -3.76 0.41 -0.00 -0.96 -4.81 115.22 101.72 3hsp n HIS 692 Ca 0.08 -0.01 -0.37 0.00 -0.00 0.00 0.00 57.72 57.42 3hsp n HIS 692 Cb 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.91 3hsp n HIS 692 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3hsp s GLN 693 N -1.97 3.47 0.33 -0.41 2.00 -0.82 -0.80 119.66 121.45 3hsp s GLN 693 Ca 0.39 -0.60 -0.29 0.00 -2.00 0.00 0.00 55.36 52.86 3hsp s GLN 693 Cb 0.20 -3.34 -0.11 0.00 0.80 0.00 0.00 33.01 30.57 3hsp s GLN 693 CO 0.33 -0.27 1.43 -1.21 -0.50 0.00 0.00 175.29 175.07 3hsp s GLU 694 N 1.58 4.22 0.04 1.67 2.02 -0.86 -4.98 118.70 122.38 3hsp s GLU 694 Ca 0.05 2.41 0.02 0.00 0.02 0.00 0.00 54.97 57.47 3hsp s GLU 694 Cb -0.16 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3hsp s GLU 694 CO 0.03 -0.41 -0.07 -1.64 0.02 0.00 0.00 175.26 173.19 3hsp s MET 695 N -1.49 0.49 -0.21 1.61 -1.94 -1.26 -4.67 119.30 111.83 3hsp s MET 695 Ca 0.54 -0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 53.78 3hsp s MET 695 Cb -0.44 -0.25 -0.00 0.00 2.01 0.00 0.00 34.83 36.15 3hsp s MET 695 CO 0.54 0.04 -0.07 -0.51 -0.01 0.00 0.00 175.02 175.02 3hsp s LEU 696 N -1.48 2.79 -0.26 -0.03 1.43 -1.25 -4.88 118.68 114.99 3hsp s LEU 696 Ca -0.10 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 3hsp s LEU 696 Cb -0.10 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3hsp s LEU 696 CO 0.00 -0.02 0.48 0.21 0.23 0.00 0.00 176.35 177.25 3hsp s ASN 697 N 1.45 6.40 0.09 2.29 2.47 -1.12 -1.16 114.94 125.37 3hsp s ASN 697 Ca 0.06 0.48 -0.09 0.00 0.42 0.00 0.00 52.86 53.72 3hsp s ASN 697 Cb -0.14 -2.26 -0.00 0.00 -1.45 0.00 0.00 41.25 37.40 3hsp s ASN 697 CO -0.05 -0.25 0.20 -0.72 -3.72 0.00 0.00 177.10 172.56 3hsp s TYR 698 N 2.19 0.15 -0.29 0.43 1.13 -1.26 -4.94 117.35 114.77 3hsp s TYR 698 Ca 0.20 -0.58 -0.17 0.00 -1.41 0.00 0.00 57.07 55.11 3hsp s TYR 698 Cb -0.16 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.63 3hsp s TYR 698 CO 0.09 -0.56 0.47 0.50 -2.51 0.00 0.00 175.55 173.55 3hsp s ARG 699 N -3.86 3.93 0.15 -3.49 3.52 -1.26 -4.80 118.95 113.13 3hsp s ARG 699 Ca 0.05 0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 3hsp s ARG 699 Cb 0.05 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3hsp s ARG 699 CO -0.11 -0.41 0.06 -0.51 -0.81 0.00 0.00 175.30 173.52 3hsp s LEU 700 N 2.27 3.57 0.11 -0.88 1.43 -1.26 -2.36 118.68 121.54 3hsp s LEU 700 Ca 0.19 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3hsp s LEU 700 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3hsp s LEU 700 CO 0.11 0.10 -0.06 0.42 0.23 0.00 0.00 176.35 177.15 3hsp s THR 701 N -1.66 3.63 0.74 5.49 -4.23 -1.26 -4.16 115.64 114.17 3hsp s THR 701 Ca 0.29 -1.19 -0.15 0.00 -1.18 0.00 0.00 61.69 59.45 3hsp s THR 701 Cb -0.10 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.05 3hsp s THR 701 CO 0.21 0.09 1.11 -2.65 -0.54 0.00 0.00 174.62 172.84 3hsp n PRO 702 N 0.57 0.52 -3.75 3.99 -0.02 -1.26 -5.01 135.00 130.05 3hsp n PRO 702 Ca -0.12 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 3hsp n PRO 702 Cb 0.52 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 3hsp n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hsp s SER 703 N -1.75 -0.10 -0.07 2.55 1.04 -0.69 -3.86 113.70 110.82 3hsp s SER 703 Ca 0.75 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 56.70 3hsp s SER 703 Cb -0.33 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 3hsp s SER 703 CO 0.48 -0.70 0.43 -0.36 0.98 0.00 0.00 173.24 174.08 3hsp s PHE 704 N -3.14 3.61 0.09 5.02 0.08 -1.26 -0.30 117.98 122.08 3hsp s PHE 704 Ca -0.01 0.92 0.04 0.00 0.12 0.00 0.00 56.93 58.00 3hsp s PHE 704 Cb 0.01 -2.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 3hsp s PHE 704 CO -0.07 0.39 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.11 3hsp s GLU 705 N -0.16 0.83 0.68 0.44 0.41 0.46 -4.95 118.70 116.41 3hsp s GLU 705 Ca 0.24 -1.05 -0.11 0.00 -0.41 0.00 0.00 54.97 53.64 3hsp s GLU 705 Cb -0.16 -0.68 -0.00 0.00 -1.78 0.00 0.00 34.13 31.51 3hsp s GLU 705 CO 0.11 0.13 1.06 0.71 -0.49 0.00 0.00 175.26 176.78 3hsp s TYR 706 N -1.83 3.22 0.08 1.61 2.02 -1.26 -0.91 117.35 120.27 3hsp s TYR 706 Ca 0.01 1.38 -0.11 0.00 -0.37 0.00 0.00 57.07 57.99 3hsp s TYR 706 Cb -0.07 -2.86 0.01 0.00 -0.40 0.00 0.00 41.96 38.64 3hsp s TYR 706 CO 0.01 -1.14 0.24 1.14 -1.57 0.00 0.00 175.55 174.24 3hsp s GLN 707 N -5.08 0.85 0.36 -0.62 -2.07 -1.26 -4.75 119.66 107.09 3hsp s GLN 707 Ca 0.57 -0.80 -0.28 0.00 -1.82 0.00 0.00 55.36 53.03 3hsp s GLN 707 Cb -0.13 0.35 -0.11 0.00 -1.09 0.00 0.00 33.01 32.03 3hsp s GLN 707 CO 0.55 -0.28 1.48 -2.30 -1.32 0.00 0.00 175.29 173.42 3hsp n PRO 708 N 0.13 2.61 -1.64 9.60 -0.02 -1.26 -4.92 135.00 139.50 3hsp n PRO 708 Ca -0.16 0.92 -0.44 0.00 -2.02 0.00 0.00 63.50 61.80 3hsp n PRO 708 Cb 0.62 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 3hsp n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hsp n ASP 709 N 0.76 2.04 0.22 2.55 8.00 -1.26 -4.88 116.55 123.98 3hsp n ASP 709 Ca 0.03 1.19 0.14 0.00 0.71 0.00 0.00 54.79 56.86 3hsp n ASP 709 Cb 0.38 -1.39 0.35 0.00 -0.02 0.00 0.00 41.12 40.45 3hsp n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3hsp h PRO 710 N 2.33 0.00 0.00 -0.24 0.13 -1.92 -2.90 132.00 129.40 3hsp h PRO 710 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hsp h PRO 710 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3hsp h PRO 710 CO 0.62 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.50 3hsp h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.93 0.79 115.95 116.46 3hsp h TRP 711 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3hsp h TRP 711 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.05 3hsp h TRP 711 CO 0.00 0.00 -0.08 0.09 0.09 0.00 0.00 178.44 178.54 3hsp n ASN 712 N -2.77 0.38 0.00 0.11 3.02 -1.09 -4.41 115.26 110.49 3hsp n ASN 712 Ca 0.01 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 3hsp n ASN 712 Cb 0.26 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3hsp n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3hsp n THR 713 N -1.81 0.00 -1.65 3.41 -1.04 -0.70 -5.06 114.28 107.42 3hsp n THR 713 Ca 0.06 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.62 3hsp n THR 713 Cb 0.38 -0.44 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 3hsp n THR 713 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3hsp n HIS 714 N -2.09 1.97 -3.31 -1.42 -0.00 0.27 -4.94 115.22 105.70 3hsp n HIS 714 Ca 0.00 0.51 -0.46 0.00 -0.00 0.00 0.00 57.72 57.77 3hsp n HIS 714 Cb 0.36 -2.41 -0.04 0.00 -0.00 0.00 0.00 29.99 27.90 3hsp n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3hsp s VAL 715 N -0.32 5.28 -0.15 3.57 -7.23 -1.26 -4.97 120.40 115.32 3hsp s VAL 715 Ca 0.66 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 3hsp s VAL 715 Cb -0.67 -4.37 -0.07 0.00 0.56 0.00 0.00 36.38 31.84 3hsp s VAL 715 CO 0.53 -0.90 2.15 0.79 -0.31 0.00 0.00 175.10 177.35 3hsp n TRP 716 N 5.04 2.11 -0.03 2.82 7.02 -1.26 -4.88 117.44 128.26 3hsp n TRP 716 Ca -0.09 -0.18 -0.13 0.00 -1.02 0.00 0.00 57.50 56.08 3hsp n TRP 716 Cb 0.41 -2.74 -0.09 0.00 -2.42 0.00 0.00 31.31 26.47 3hsp n TRP 716 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3hsp h LYS 717 N 13.62 0.11 0.00 -0.99 1.57 -1.96 -3.52 116.57 125.40 3hsp h LYS 717 Ca -0.43 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3hsp h LYS 717 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3hsp h LYS 717 CO 0.96 0.55 0.00 0.41 -0.57 0.00 0.00 179.45 180.79