#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsp n ARG 299 N 0.00 0.05 -3.79 0.54 0.63 -1.26 -4.55 116.66 108.27 3hsp n ARG 299 Ca 0.00 0.38 -0.17 0.00 -0.92 0.00 0.00 57.85 57.14 3hsp n ARG 299 Cb 0.00 -1.61 -0.16 0.00 0.45 0.00 0.00 32.46 31.13 3hsp n ARG 299 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hsp s PHE 300 N -3.11 0.14 -0.16 -0.14 0.08 -1.26 -4.62 117.98 108.91 3hsp s PHE 300 Ca 0.04 0.11 -0.00 0.00 0.12 0.00 0.00 56.93 57.19 3hsp s PHE 300 Cb 0.07 -0.35 0.04 0.00 -0.57 0.00 0.00 43.02 42.20 3hsp s PHE 300 CO 0.22 -0.13 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.64 3hsp s LEU 301 N 1.31 1.53 0.17 -0.37 1.43 -1.05 -4.96 118.68 116.75 3hsp s LEU 301 Ca -0.06 -0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 3hsp s LEU 301 Cb -0.13 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.11 3hsp s LEU 301 CO -0.03 -0.17 0.76 -0.54 0.23 0.00 0.00 176.35 176.60 3hsp s LYS 302 N 1.64 4.50 0.00 1.70 -0.14 -1.26 -0.28 119.74 125.91 3hsp s LYS 302 Ca 0.02 1.09 0.06 0.00 -1.36 0.00 0.00 55.97 55.78 3hsp s LYS 302 Cb -0.15 -3.21 -0.02 0.00 -1.68 0.00 0.00 37.83 32.78 3hsp s LYS 302 CO -0.08 0.55 -0.20 0.14 -0.76 0.00 0.00 175.35 175.01 3hsp s VAL 303 N -1.20 1.55 0.02 3.17 -7.23 -0.49 -4.97 120.40 111.25 3hsp s VAL 303 Ca 0.36 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 3hsp s VAL 303 Cb -0.22 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3hsp s VAL 303 CO 0.25 0.35 -0.20 -0.75 -0.31 0.00 0.00 175.10 174.43 3hsp s LYS 304 N -0.70 2.09 -0.20 4.82 2.20 -1.26 -1.28 119.74 125.40 3hsp s LYS 304 Ca 0.07 -0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 54.60 3hsp s LYS 304 Cb -0.08 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 34.04 3hsp s LYS 304 CO 0.00 0.55 0.28 1.21 -0.36 0.00 0.00 175.35 177.03 3hsp s ASN 305 N -1.15 6.32 0.00 1.43 3.84 -0.37 -1.38 114.94 123.63 3hsp s ASN 305 Ca 0.13 0.37 0.27 0.00 0.21 0.00 0.00 52.86 53.83 3hsp s ASN 305 Cb -0.10 -2.17 0.81 0.00 -0.55 0.00 0.00 41.25 39.24 3hsp s ASN 305 CO 0.03 0.03 1.62 0.79 -2.79 0.00 0.00 177.10 176.78 3hsp n TRP 306 N 4.12 0.00 -0.08 0.43 7.02 0.00 -1.06 117.44 127.87 3hsp n TRP 306 Ca -0.12 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.16 3hsp n TRP 306 Cb 0.52 -0.29 -0.12 0.00 -2.42 0.00 0.00 31.31 28.99 3hsp n TRP 306 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3hsp h GLU 307 N 0.20 0.04 -0.01 -0.99 4.57 -1.95 -3.41 114.58 113.03 3hsp h GLU 307 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3hsp h GLU 307 Cb 0.48 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3hsp h GLU 307 CO 0.00 1.03 -0.54 0.25 -1.18 0.00 0.00 179.01 178.57 3hsp n THR 308 N -4.39 0.00 -0.65 0.32 -2.24 -1.25 -4.98 114.28 101.09 3hsp n THR 308 Ca -0.25 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3hsp n THR 308 Cb 0.67 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.60 -3.31 -4.68 3.42 9.92 -0.22 -4.95 116.55 116.13 3hsp n ASP 309 Ca 0.08 0.00 -0.45 0.00 -0.53 0.00 0.00 54.79 53.89 3hsp n ASP 309 Cb 0.40 -2.53 -0.04 0.00 -0.64 0.00 0.00 41.12 38.31 3hsp n ASP 309 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3hsp n VAL 310 N -1.45 0.37 -4.41 2.53 0.31 -1.25 -4.76 118.33 109.68 3hsp n VAL 310 Ca 0.00 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 3hsp n VAL 310 Cb 0.28 -1.89 -0.12 0.00 -0.91 0.00 0.00 33.84 31.20 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 2.84 3.89 0.08 2.52 1.01 -1.26 -1.23 120.40 128.25 3hsp s VAL 311 Ca 0.85 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.56 3hsp s VAL 311 Cb -0.61 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3hsp s VAL 311 CO 0.43 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 175.08 3hsp s LEU 312 N 0.35 2.65 -0.18 3.92 1.43 -0.41 -4.97 118.68 121.46 3hsp s LEU 312 Ca -0.04 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3hsp s LEU 312 Cb -0.14 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3hsp s LEU 312 CO 0.03 0.22 -0.05 -0.89 0.23 0.00 0.00 176.35 175.89 3hsp s THR 313 N -1.04 3.58 -0.32 5.49 2.01 -1.26 -1.40 115.64 122.71 3hsp s THR 313 Ca 0.16 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 3hsp s THR 313 Cb -0.11 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 3hsp s THR 313 CO 0.08 0.46 0.22 -0.62 -0.69 0.00 0.00 174.62 174.06 3hsp s ASP 314 N 0.91 6.04 -0.05 3.53 -1.08 0.62 -4.68 116.67 121.96 3hsp s ASP 314 Ca -0.01 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 51.90 3hsp s ASP 314 Cb -0.15 -2.13 -0.21 0.00 -1.46 0.00 0.00 42.92 38.97 3hsp s ASP 314 CO 0.01 -0.16 0.25 0.35 0.52 0.00 0.00 175.17 176.14 3hsp n THR 315 N 5.09 0.24 0.14 1.71 -2.24 0.29 -2.52 114.28 116.99 3hsp n THR 315 Ca -0.13 -0.39 0.17 0.00 -2.27 0.00 0.00 64.05 61.42 3hsp n THR 315 Cb 0.51 -0.04 0.75 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.75 3.22 5.85 -1.32 -1.94 115.31 119.37 3hsp h LEU 316 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hsp h LEU 316 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hsp h LEU 316 CO 0.01 0.00 0.00 1.12 -0.34 0.00 0.00 178.44 179.23 3hsp h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 -1.46 115.15 115.17 3hsp h HIS 317 Ca 0.13 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.58 3hsp h HIS 317 Cb 0.63 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 3hsp h HIS 317 CO 0.00 0.00 -0.37 -0.07 -3.07 0.00 0.00 177.93 174.42 3hsp h LEU 318 N 0.00 0.00 -0.60 6.12 3.38 -1.71 -1.69 115.31 120.81 3hsp h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hsp h LEU 318 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hsp h LEU 318 CO 0.00 0.37 0.00 0.29 0.09 0.00 0.00 178.44 179.19 3hsp n LYS 319 N -3.85 1.38 -2.29 1.13 4.76 -0.55 -4.92 118.16 113.82 3hsp n LYS 319 Ca -0.01 -0.59 -0.42 0.00 -2.87 0.00 0.00 58.31 54.42 3hsp n LYS 319 Cb 0.44 -1.13 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 3hsp n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3hsp s SER 320 N -1.02 6.96 0.00 4.39 0.15 -0.64 -4.85 113.70 118.70 3hsp s SER 320 Ca 0.11 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.02 3hsp s SER 320 Cb 0.06 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3hsp s SER 320 CO 0.08 -0.52 0.00 0.41 1.20 0.00 0.00 173.24 174.41 3hsp n THR 321 N 3.29 0.00 -0.23 6.45 -1.04 -0.74 -5.01 114.28 116.99 3hsp n THR 321 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3hsp n THR 321 Cb 0.44 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 3hsp n THR 321 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hsp n LEU 322 N -0.52 0.00 0.00 -4.42 7.94 -1.26 -5.05 117.00 113.68 3hsp n LEU 322 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 3hsp n LEU 322 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3hsp n LEU 322 CO 0.00 -0.25 -0.11 -1.84 -1.11 0.00 0.00 177.39 174.09 3hsp n GLU 323 N -0.33 1.41 -0.00 1.96 0.28 -1.26 -4.67 120.64 118.02 3hsp n GLU 323 Ca 0.00 -1.66 0.05 0.00 -0.16 0.00 0.00 57.16 55.40 3hsp n GLU 323 Cb 0.00 0.47 -0.08 0.00 1.43 0.00 0.00 31.44 33.26 3hsp n GLU 323 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3hsp n THR 324 N -0.56 0.00 0.00 3.84 -2.24 -1.26 -4.85 114.28 109.20 3hsp n THR 324 Ca -0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3hsp n THR 324 Cb 0.29 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.80 1.22 3.76 3.38 0.00 -1.18 -4.71 105.19 109.46 3hsp n GLY 325 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 1.53 0.00 0.29 0.00 -2.24 -0.94 -5.01 114.28 107.90 3hsp n THR 327 Ca -0.03 -0.95 0.16 0.00 -2.27 0.00 0.00 64.05 60.95 3hsp n THR 327 Cb 0.48 -0.31 0.58 0.00 -2.10 0.00 0.00 70.33 68.98 3hsp n THR 327 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hsp h GLU 328 N 0.00 0.00 -0.13 -0.78 4.11 -2.06 -3.22 114.58 112.51 3hsp h GLU 328 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3hsp h GLU 328 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3hsp h GLU 328 CO 0.24 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.04 3hsp n HIS 329 N -2.99 0.23 -3.66 2.06 8.25 -1.26 -4.99 115.22 112.86 3hsp n HIS 329 Ca 0.01 -0.61 -0.08 0.00 -0.26 0.00 0.00 57.72 56.78 3hsp n HIS 329 Cb 0.34 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.46 -0.01 -0.32 1.59 2.07 -1.22 -5.13 121.20 116.73 3hsp s ILE 330 Ca 0.16 0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.35 3hsp s ILE 330 Cb 0.11 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.87 3hsp s ILE 330 CO 0.06 0.02 0.13 0.00 -1.91 0.00 0.00 174.94 173.23 3hsp n MET 332 N 4.92 3.08 0.19 0.00 0.00 -1.26 -4.78 117.12 119.27 3hsp n MET 332 Ca -0.14 -3.83 0.03 0.00 0.00 0.00 0.00 57.70 53.76 3hsp n MET 332 Cb 0.48 -2.28 0.38 0.00 0.00 0.00 0.00 33.22 31.80 3hsp n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3hsp h GLY 333 N 2.99 0.01 -2.06 3.03 0.00 -1.94 -3.09 103.07 102.00 3hsp h GLY 333 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3hsp h GLY 333 CO 1.29 0.01 0.00 -1.14 0.00 0.00 0.00 176.54 176.69 3hsp n SER 334 N -4.14 3.51 -4.70 0.19 3.41 -1.26 -4.84 113.62 105.78 3hsp n SER 334 Ca -0.02 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.16 3hsp n SER 334 Cb 0.37 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.02 4.85 0.09 -1.33 -1.09 -1.17 -5.00 121.20 116.53 3hsp s ILE 335 Ca 0.38 2.04 -0.14 0.00 -2.23 0.00 0.00 60.65 60.69 3hsp s ILE 335 Cb 0.20 -4.31 -0.18 0.00 -1.58 0.00 0.00 42.46 36.59 3hsp s ILE 335 CO 0.25 0.11 1.26 -0.03 -1.23 0.00 0.00 174.94 175.31 3hsp h MET 336 N 6.89 0.73 -2.34 2.79 4.05 -1.92 -3.38 114.93 121.75 3hsp h MET 336 Ca -0.38 -0.64 -0.59 0.00 -0.28 0.00 0.00 59.70 57.81 3hsp h MET 336 Cb 1.20 0.14 -0.40 0.00 -0.80 0.00 0.00 31.60 31.74 3hsp h MET 336 CO 0.78 1.24 -0.82 1.28 0.23 0.00 0.00 176.91 179.62 3hsp n LEU 337 N -3.97 1.67 -4.93 3.39 4.32 -1.26 -5.13 117.00 111.08 3hsp n LEU 337 Ca -0.08 -4.95 -0.26 0.00 -0.02 0.00 0.00 56.01 50.69 3hsp n LEU 337 Cb 0.75 -0.04 0.08 0.00 -1.62 0.00 0.00 43.42 42.59 3hsp n LEU 337 CO 0.52 1.96 0.65 -2.16 -1.22 0.00 0.00 177.39 177.15 3hsp s PRO 338 N -1.38 2.09 0.02 3.23 0.04 -1.26 -5.19 135.00 132.55 3hsp s PRO 338 Ca 0.34 -0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.16 3hsp s PRO 338 Cb 0.10 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3hsp s PRO 338 CO -0.11 -1.34 0.03 -1.12 0.04 0.00 0.00 177.00 174.50 3hsp s SER 339 N -4.55 5.31 0.59 6.66 0.01 -1.26 -4.89 113.70 115.57 3hsp s SER 339 Ca 0.61 0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.69 3hsp s SER 339 Cb -0.10 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 3hsp s SER 339 CO 0.46 0.25 1.20 0.68 0.41 0.00 0.00 173.24 176.23 3hsp s VAL 348 N -1.18 2.70 0.15 3.43 -7.23 -1.26 -3.09 120.40 113.91 3hsp s VAL 348 Ca 0.22 0.43 -0.27 0.00 -1.81 0.00 0.00 61.98 60.56 3hsp s VAL 348 Cb -0.12 -3.15 -0.07 0.00 0.56 0.00 0.00 36.38 33.59 3hsp s VAL 348 CO 0.14 -0.10 0.83 -0.13 -0.31 0.00 0.00 175.10 175.53 3hsp s ARG 349 N -3.37 4.63 0.56 4.82 0.52 -1.26 -5.07 118.95 119.78 3hsp s ARG 349 Ca 0.76 1.25 -0.08 0.00 -0.52 0.00 0.00 55.73 57.14 3hsp s ARG 349 Cb -0.29 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 3hsp s ARG 349 CO 0.33 0.46 0.91 0.95 0.02 0.00 0.00 175.30 177.97 3hsp s THR 350 N -0.78 4.64 0.20 0.02 -4.23 -1.26 -4.87 115.64 109.36 3hsp s THR 350 Ca 0.39 0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 61.24 3hsp s THR 350 Cb -0.23 -3.81 0.19 0.00 1.34 0.00 0.00 72.50 69.98 3hsp s THR 350 CO 0.27 -0.93 1.65 0.11 -0.54 0.00 0.00 174.62 175.18 3hsp h LYS 351 N -0.08 0.03 -0.84 3.99 1.57 -1.95 0.23 116.57 119.53 3hsp h LYS 351 Ca -0.45 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3hsp h LYS 351 Cb 1.21 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.38 3hsp h LYS 351 CO 0.62 0.02 -0.34 -3.47 -0.57 0.00 0.00 179.45 175.71 3hsp n ASP 352 N -5.35 -0.58 0.09 0.86 2.03 -1.26 -1.89 116.55 110.45 3hsp n ASP 352 Ca 0.07 1.46 -0.02 0.00 0.52 0.00 0.00 54.79 56.81 3hsp n ASP 352 Cb 0.31 -0.32 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 3hsp n ASP 352 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3hsp h GLN 353 N 0.00 0.00 0.07 -0.67 4.20 -1.37 -3.35 115.11 113.99 3hsp h GLN 353 Ca 0.27 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.70 3hsp h GLN 353 Cb 0.48 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.29 3hsp h GLN 353 CO -0.83 0.68 -1.15 1.25 -0.67 0.00 0.00 178.83 178.11 3hsp h LEU 354 N 0.00 0.85 -0.34 1.46 5.85 -0.53 -3.33 115.31 119.28 3hsp h LEU 354 Ca -0.04 -0.74 0.08 0.00 0.84 0.00 0.00 57.88 58.01 3hsp h LEU 354 Cb 1.60 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 3hsp h LEU 354 CO 0.09 1.55 -0.21 -0.26 -0.34 0.00 0.00 178.44 179.27 3hsp h PHE 355 N 0.31 -0.53 -0.34 1.25 0.04 -1.63 -0.29 116.94 115.75 3hsp h PHE 355 Ca -0.16 0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.55 3hsp h PHE 355 Cb 1.81 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 40.24 3hsp h PHE 355 CO 0.10 -0.28 -0.21 -1.00 -0.60 0.00 0.00 178.31 176.32 3hsp h PRO 356 N -0.16 0.64 -0.56 1.51 0.13 -1.78 0.84 132.00 132.62 3hsp h PRO 356 Ca 0.17 -0.24 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 3hsp h PRO 356 Cb 0.43 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3hsp h PRO 356 CO -0.44 0.81 0.11 -0.07 -0.23 0.00 0.00 178.00 178.18 3hsp h LEU 357 N 0.57 0.86 -0.36 1.56 3.38 -1.56 0.18 115.31 119.94 3hsp h LEU 357 Ca 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hsp h LEU 357 Cb 0.67 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hsp h LEU 357 CO 0.05 0.89 0.13 0.00 0.09 0.00 0.00 178.44 179.59 3hsp h ALA 358 N 1.01 0.47 -0.48 1.53 0.00 -0.85 -2.27 119.26 118.67 3hsp h ALA 358 Ca 0.17 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hsp h ALA 358 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hsp h ALA 358 CO 0.01 0.09 0.28 -0.22 0.00 0.00 0.00 179.25 179.41 3hsp h LYS 359 N 0.43 0.55 -0.15 0.00 3.64 -0.61 -1.13 116.57 119.30 3hsp h LYS 359 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3hsp h LYS 359 Cb 0.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3hsp h LYS 359 CO -0.01 0.36 0.09 1.49 -2.27 0.00 0.00 179.45 179.12 3hsp h GLU 360 N 0.57 0.19 -0.35 1.90 4.81 -0.85 0.58 114.58 121.43 3hsp h GLU 360 Ca 0.19 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3hsp h GLU 360 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3hsp h GLU 360 CO -0.09 0.12 0.12 0.35 -0.73 0.00 0.00 179.01 178.78 3hsp h PHE 361 N 0.19 0.55 -0.04 0.92 3.57 -1.23 -1.59 116.94 119.32 3hsp h PHE 361 Ca 0.06 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 3hsp h PHE 361 Cb -0.01 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3hsp h PHE 361 CO -0.07 0.53 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.98 3hsp h LEU 362 N 0.41 0.11 -0.60 0.59 3.38 -1.00 0.20 115.31 118.39 3hsp h LEU 362 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hsp h LEU 362 Cb 0.23 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3hsp h LEU 362 CO -0.01 0.58 0.34 0.44 0.09 0.00 0.00 178.44 179.88 3hsp h ASP 363 N 0.08 0.74 -0.25 -0.43 3.32 -0.65 0.16 116.42 119.39 3hsp h ASP 363 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3hsp h ASP 363 Cb 0.90 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3hsp h ASP 363 CO 0.07 0.61 0.11 1.56 -1.72 0.00 0.00 179.24 179.87 3hsp h GLN 364 N 0.81 0.37 0.09 3.56 4.20 -0.38 -0.18 115.11 123.59 3hsp h GLN 364 Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3hsp h GLN 364 Cb 0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3hsp h GLN 364 CO -0.04 0.40 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.53 3hsp h TYR 365 N 0.26 -0.19 -0.14 2.96 3.20 -0.51 -0.75 116.97 121.79 3hsp h TYR 365 Ca 0.08 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3hsp h TYR 365 Cb 0.16 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3hsp h TYR 365 CO -0.01 -0.12 -0.29 1.88 -1.64 0.00 0.00 178.16 177.99 3hsp h TYR 366 N -0.17 0.30 -0.57 -3.82 0.05 -0.86 -1.61 116.97 110.28 3hsp h TYR 366 Ca -0.00 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.61 3hsp h TYR 366 Cb 0.16 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3hsp h TYR 366 CO -0.10 0.54 -0.07 1.03 -1.05 0.00 0.00 178.16 178.51 3hsp h SER 367 N 0.24 1.05 -0.37 3.88 0.87 -0.88 -0.33 113.55 118.01 3hsp h SER 367 Ca 0.04 -0.33 -0.07 0.00 -1.23 0.00 0.00 61.79 60.19 3hsp h SER 367 Cb 0.64 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3hsp h SER 367 CO 0.05 1.13 -0.02 0.77 -0.53 0.00 0.00 176.83 178.23 3hsp h SER 368 N 0.95 0.73 -0.24 6.23 4.64 -0.17 -1.96 113.55 123.72 3hsp h SER 368 Ca 0.15 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hsp h SER 368 Cb 0.63 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hsp h SER 368 CO 0.04 0.80 0.00 2.30 -0.87 0.00 0.00 176.83 179.11 3hsp n ILE 369 N -4.21 0.70 -3.73 0.95 -5.35 -0.92 -4.93 119.36 101.86 3hsp n ILE 369 Ca 0.02 -0.44 -0.24 0.00 -0.27 0.00 0.00 62.75 61.82 3hsp n ILE 369 Cb 0.30 -0.14 0.04 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.26 -5.58 -1.39 6.28 5.02 -0.74 -4.88 118.16 117.13 3hsp n LYS 370 Ca 0.10 0.66 0.04 0.00 -2.02 0.00 0.00 58.31 57.08 3hsp n LYS 370 Cb 0.42 -5.41 0.05 0.00 -0.02 0.00 0.00 35.03 30.07 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 -4.46 0.31 -2.12 1.97 5.12 -0.16 -5.05 116.66 112.27 3hsp n ARG 371 Ca -0.16 -2.25 -0.42 0.00 -1.93 0.00 0.00 57.85 53.09 3hsp n ARG 371 Cb 0.62 -0.30 -0.03 0.00 -1.16 0.00 0.00 32.46 31.59 3hsp n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3hsp s PHE 372 N -0.61 2.96 0.00 -1.55 2.19 -1.06 -2.30 117.98 117.61 3hsp s PHE 372 Ca 0.35 0.77 0.00 0.00 0.33 0.00 0.00 56.93 58.37 3hsp s PHE 372 Cb 0.39 -3.75 0.00 0.00 -1.31 0.00 0.00 43.02 38.35 3hsp s PHE 372 CO -0.15 -2.77 0.00 0.41 1.83 0.00 0.00 175.22 174.54 3hsp n GLY 373 N 3.65 0.93 3.66 13.12 0.00 -1.26 -5.02 105.19 120.28 3hsp n GLY 373 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.03 2.75 0.19 1.61 1.04 -0.97 -4.74 113.70 110.54 3hsp s SER 374 Ca 0.00 1.47 -0.12 0.00 0.48 0.00 0.00 55.95 57.78 3hsp s SER 374 Cb 0.00 -2.14 0.11 0.00 0.10 0.00 0.00 66.02 64.09 3hsp s SER 374 CO 0.00 -3.09 1.84 0.50 0.98 0.00 0.00 173.24 173.46 3hsp h LYS 375 N -1.86 0.88 -0.71 4.02 3.64 -1.96 -0.13 116.57 120.44 3hsp h LYS 375 Ca -0.53 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 58.85 3hsp h LYS 375 Cb 1.30 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 3hsp h LYS 375 CO 0.54 0.62 0.39 0.00 -2.27 0.00 0.00 179.45 178.72 3hsp h ALA 376 N 1.21 0.96 0.23 5.00 0.00 -1.91 0.32 119.26 125.07 3hsp h ALA 376 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3hsp h ALA 376 Cb -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hsp h ALA 376 CO -0.05 0.05 -0.14 1.25 0.00 0.00 0.00 179.25 180.36 3hsp h HIS 377 N 0.70 -0.37 -0.70 0.00 -0.00 -1.65 -1.78 115.15 111.36 3hsp h HIS 377 Ca 0.33 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.64 3hsp h HIS 377 Cb 0.24 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 3hsp h HIS 377 CO -0.08 -0.22 0.24 0.52 -0.00 0.00 0.00 177.93 178.39 3hsp h MET 378 N -0.36 1.06 -0.76 5.26 2.07 -0.32 -1.50 114.93 120.38 3hsp h MET 378 Ca -0.02 -0.22 0.03 0.00 -2.07 0.00 0.00 59.70 57.43 3hsp h MET 378 Cb 0.30 -0.16 -0.05 0.00 -1.87 0.00 0.00 31.60 29.82 3hsp h MET 378 CO 0.02 0.90 0.48 -0.44 1.07 0.00 0.00 176.91 178.95 3hsp h ASP 379 N 1.01 0.80 -0.24 1.22 3.32 -0.36 -1.64 116.42 120.53 3hsp h ASP 379 Ca 0.23 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3hsp h ASP 379 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3hsp h ASP 379 CO -0.01 0.55 0.03 -0.09 -1.72 0.00 0.00 179.24 178.00 3hsp h ARG 380 N 0.94 0.40 -0.65 3.56 9.65 -1.03 0.16 114.38 127.42 3hsp h ARG 380 Ca 0.31 -0.11 0.11 0.00 -1.10 0.00 0.00 59.98 59.18 3hsp h ARG 380 Cb 0.01 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.47 3hsp h ARG 380 CO -0.11 0.54 0.23 -0.07 2.80 0.00 0.00 179.97 183.36 3hsp h LEU 381 N 0.20 0.19 -0.15 3.80 3.38 -1.08 0.92 115.31 122.57 3hsp h LEU 381 Ca 0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3hsp h LEU 381 Cb 0.34 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hsp h LEU 381 CO 0.01 0.10 -0.00 -0.08 0.09 0.00 0.00 178.44 178.55 3hsp h GLU 382 N 0.39 0.26 -0.98 1.13 4.57 -1.00 -0.51 114.58 118.44 3hsp h GLU 382 Ca 0.34 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.51 3hsp h GLU 382 Cb 0.46 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 3hsp h GLU 382 CO -0.35 0.50 0.63 1.49 -1.18 0.00 0.00 179.01 180.09 3hsp h GLU 383 N -0.00 1.07 -0.27 1.92 4.81 -0.30 -0.54 114.58 121.27 3hsp h GLU 383 Ca 0.04 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 3hsp h GLU 383 Cb 0.38 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hsp h GLU 383 CO 0.01 0.71 -0.33 0.28 -0.73 0.00 0.00 179.01 178.95 3hsp h VAL 384 N 1.10 1.30 -0.68 0.32 2.07 -0.69 -2.18 116.25 117.50 3hsp h VAL 384 Ca 0.44 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3hsp h VAL 384 Cb 0.24 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3hsp h VAL 384 CO -0.19 0.48 0.41 -1.13 0.02 0.00 0.00 177.57 177.16 3hsp h ASN 385 N 0.45 0.81 -0.49 0.57 -1.24 -0.58 -0.12 115.58 114.97 3hsp h ASN 385 Ca 0.04 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 56.87 3hsp h ASN 385 Cb 0.91 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 3hsp h ASN 385 CO 0.08 0.63 -0.15 0.11 -1.29 0.00 0.00 177.43 176.80 3hsp h LYS 386 N 0.92 0.99 -0.33 6.67 1.57 -1.12 -2.21 116.57 123.06 3hsp h LYS 386 Ca 0.24 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3hsp h LYS 386 Cb -0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hsp h LYS 386 CO -0.05 1.06 0.15 1.49 -0.57 0.00 0.00 179.45 181.54 3hsp h GLU 387 N 0.87 0.48 0.75 3.15 4.81 -0.67 -1.33 114.58 122.64 3hsp h GLU 387 Ca 0.13 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3hsp h GLU 387 Cb 0.72 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3hsp h GLU 387 CO 0.05 0.44 -0.44 0.82 -0.73 0.00 0.00 179.01 179.16 3hsp h ILE 388 N 0.39 0.12 -0.99 2.32 2.04 -0.81 0.47 117.51 121.06 3hsp h ILE 388 Ca 0.11 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.31 3hsp h ILE 388 Cb 0.13 0.12 -0.16 0.00 -0.74 0.00 0.00 36.82 36.16 3hsp h ILE 388 CO -0.01 0.00 0.46 -0.08 0.00 0.00 0.00 178.15 178.52 3hsp h GLU 389 N -1.11 0.16 0.00 2.37 4.81 -1.34 0.40 114.58 119.86 3hsp h GLU 389 Ca -0.10 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.93 3hsp h GLU 389 Cb 0.88 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3hsp h GLU 389 CO 0.12 0.10 -1.12 1.03 -0.73 0.00 0.00 179.01 178.41 3hsp h SER 390 N 0.16 0.00 -0.00 1.04 0.87 -0.93 -3.41 113.55 111.28 3hsp h SER 390 Ca 0.74 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3hsp h SER 390 Cb 1.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 3hsp h SER 390 CO -0.70 1.35 -0.75 0.35 -0.53 0.00 0.00 176.83 176.55 3hsp n THR 391 N -4.47 0.00 0.00 2.23 -2.24 0.16 -5.00 114.28 104.97 3hsp n THR 391 Ca -0.27 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3hsp n THR 391 Cb 0.60 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3hsp n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hsp n SER 392 N -1.07 0.00 -0.48 3.42 7.64 0.14 -4.96 113.62 118.31 3hsp n SER 392 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3hsp n SER 392 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3hsp n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3hsp n THR 393 N -2.00 0.00 -3.78 0.44 5.66 -1.26 -4.73 114.28 108.61 3hsp n THR 393 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3hsp n THR 393 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -0.45 -0.16 -0.14 1.09 1.13 -1.26 -2.64 117.35 114.92 3hsp s TYR 394 Ca 0.00 -0.22 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 3hsp s TYR 394 Cb 0.00 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.39 3hsp s TYR 394 CO 0.00 -1.08 -0.07 -0.65 -2.51 0.00 0.00 175.55 171.24 3hsp s GLN 395 N -3.90 3.50 0.35 -3.49 -1.52 -1.26 -5.06 119.66 108.28 3hsp s GLN 395 Ca 0.10 -0.57 -0.27 0.00 -1.95 0.00 0.00 55.36 52.67 3hsp s GLN 395 Cb -0.04 -2.80 -0.09 0.00 -0.22 0.00 0.00 33.01 29.87 3hsp s GLN 395 CO 0.02 0.27 1.14 -0.51 -0.25 0.00 0.00 175.29 175.97 3hsp s LEU 396 N 0.25 4.35 0.76 2.90 1.43 -1.26 -5.04 118.68 122.07 3hsp s LEU 396 Ca -0.05 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3hsp s LEU 396 Cb -0.14 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.27 3hsp s LEU 396 CO 0.04 -0.43 1.10 -0.54 0.23 0.00 0.00 176.35 176.75 3hsp s LYS 397 N -1.95 2.29 0.25 1.70 -0.14 -1.26 -4.85 119.74 115.79 3hsp s LYS 397 Ca 0.51 1.24 -0.04 0.00 -1.36 0.00 0.00 55.97 56.32 3hsp s LYS 397 Cb -0.31 -1.90 0.40 0.00 -1.68 0.00 0.00 37.83 34.35 3hsp s LYS 397 CO 0.40 -1.62 1.82 -0.44 -0.76 0.00 0.00 175.35 174.74 3hsp h ASP 398 N -0.93 0.73 -0.55 2.83 5.19 -1.99 -0.93 116.42 120.76 3hsp h ASP 398 Ca -0.44 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 55.92 3hsp h ASP 398 Cb 1.24 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 3hsp h ASP 398 CO 0.51 0.42 -0.01 0.71 -3.12 0.00 0.00 179.24 177.76 3hsp h THR 399 N 0.85 1.27 -0.28 0.35 1.35 -2.00 -2.11 112.91 112.34 3hsp h THR 399 Ca 0.40 -1.13 -0.08 0.00 -0.55 0.00 0.00 66.41 65.05 3hsp h THR 399 Cb 0.34 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 3hsp h THR 399 CO -0.24 0.40 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.93 3hsp h GLU 400 N 0.86 0.50 -0.23 4.72 5.08 -1.73 -1.40 114.58 122.39 3hsp h GLU 400 Ca 0.16 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3hsp h GLU 400 Cb 0.55 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hsp h GLU 400 CO 0.03 0.66 -0.58 1.25 -1.00 0.00 0.00 179.01 179.37 3hsp h LEU 401 N 0.45 0.82 0.07 1.33 5.85 -0.97 0.29 115.31 123.16 3hsp h LEU 401 Ca 0.08 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3hsp h LEU 401 Cb 0.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hsp h LEU 401 CO 0.04 1.22 -0.03 0.40 -0.34 0.00 0.00 178.44 179.72 3hsp h ILE 402 N 0.55 1.01 -0.61 4.05 2.04 -1.18 -0.43 117.51 122.94 3hsp h ILE 402 Ca 0.00 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.66 3hsp h ILE 402 Cb 1.17 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 3hsp h ILE 402 CO 0.12 0.07 0.28 0.22 0.00 0.00 0.00 178.15 178.84 3hsp h TYR 403 N -0.22 0.51 -0.19 1.37 3.20 -1.20 -1.60 116.97 118.85 3hsp h TYR 403 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hsp h TYR 403 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3hsp h TYR 403 CO -0.03 0.20 0.09 0.78 -1.64 0.00 0.00 178.16 177.56 3hsp h GLY 404 N 0.52 0.29 0.98 1.82 0.00 -0.72 -1.16 103.07 104.79 3hsp h GLY 404 Ca 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3hsp h GLY 404 CO -0.23 0.14 0.27 0.00 0.00 0.00 0.00 176.54 176.72 3hsp h ALA 405 N 0.95 0.68 -0.64 3.60 0.00 -0.85 -0.07 119.26 122.93 3hsp h ALA 405 Ca 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hsp h ALA 405 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hsp h ALA 405 CO -0.01 0.23 0.17 0.87 0.00 0.00 0.00 179.25 180.51 3hsp h LYS 406 N 0.71 1.00 -0.00 0.00 1.57 -1.23 -2.74 116.57 115.88 3hsp h LYS 406 Ca 0.18 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 3hsp h LYS 406 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3hsp h LYS 406 CO -0.03 0.87 -0.66 0.45 -0.57 0.00 0.00 179.45 179.52 3hsp h HIS 407 N 0.96 0.03 -0.56 -1.35 3.86 -0.66 0.03 115.15 117.46 3hsp h HIS 407 Ca 0.21 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 3hsp h HIS 407 Cb 0.32 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3hsp h HIS 407 CO 0.02 0.68 0.16 0.00 0.86 0.00 0.00 177.93 179.65 3hsp h ALA 408 N 1.32 1.24 -0.14 2.45 0.00 -0.84 0.09 119.26 123.38 3hsp h ALA 408 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hsp h ALA 408 Cb 1.17 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hsp h ALA 408 CO 0.09 0.54 -0.08 2.35 0.00 0.00 0.00 179.25 182.15 3hsp h TRP 409 N 0.82 0.34 -0.95 0.00 7.01 -1.17 -2.45 115.95 119.55 3hsp h TRP 409 Ca 0.19 -0.09 0.19 0.00 2.11 0.00 0.00 58.89 61.28 3hsp h TRP 409 Cb 0.25 -0.08 -0.08 0.00 -2.10 0.00 0.00 29.16 27.15 3hsp h TRP 409 CO 0.02 0.64 0.60 -0.09 -2.79 0.00 0.00 178.44 176.82 3hsp h ARG 410 N -0.05 0.58 -0.01 2.65 2.43 -0.59 -0.95 114.38 118.44 3hsp h ARG 410 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hsp h ARG 410 Cb 0.55 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hsp h ARG 410 CO 0.02 0.39 -0.10 0.09 -1.51 0.00 0.00 179.97 178.85 3hsp n ASN 411 N -4.61 1.03 -4.56 -3.80 3.02 -0.02 -4.88 115.26 101.45 3hsp n ASN 411 Ca 0.20 -1.09 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 3hsp n ASN 411 Cb 0.61 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.25 2.77 -0.13 5.41 0.00 -0.36 -4.70 121.76 122.50 3hsp s ALA 412 Ca 0.33 -1.01 0.30 0.00 0.00 0.00 0.00 51.96 51.58 3hsp s ALA 412 Cb 0.20 -4.17 1.25 0.00 0.00 0.00 0.00 23.12 20.40 3hsp s ALA 412 CO 0.42 -3.11 1.88 0.66 0.00 0.00 0.00 175.76 175.61 3hsp h SER 413 N 10.60 0.00 0.07 0.00 4.64 -1.89 -2.12 113.55 124.85 3hsp h SER 413 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hsp h SER 413 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hsp h SER 413 CO 1.23 0.00 -0.22 0.54 -0.87 0.00 0.00 176.83 177.51 3hsp n ARG 414 N -2.70 1.36 -3.47 4.77 1.74 -1.26 -0.14 116.66 116.97 3hsp n ARG 414 Ca 0.01 -0.97 -0.39 0.00 -0.77 0.00 0.00 57.85 55.73 3hsp n ARG 414 Cb 0.25 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 3hsp n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hsp n VAL 416 N 5.08 0.06 0.92 0.00 3.14 -1.26 -4.06 118.33 122.22 3hsp n VAL 416 Ca -0.11 -0.04 0.04 0.00 -2.96 0.00 0.00 64.34 61.28 3hsp n VAL 416 Cb 0.51 -0.23 0.12 0.00 -1.06 0.00 0.00 33.84 33.19 3hsp n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hsp n GLY 417 N 1.48 0.75 0.03 7.55 0.00 -1.26 -4.54 105.19 109.20 3hsp n GLY 417 Ca 0.06 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.25 0.05 0.02 1.61 1.74 -1.26 -2.76 116.66 116.32 3hsp n ARG 418 Ca 0.09 0.18 0.21 0.00 -0.77 0.00 0.00 57.85 57.57 3hsp n ARG 418 Cb 0.33 -1.58 0.72 0.00 -1.02 0.00 0.00 32.46 30.91 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 0.58 -0.02 0.55 2.10 -1.89 0.82 117.51 119.65 3hsp h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hsp h ILE 419 Cb 0.40 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3hsp h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3hsp n GLN 420 N -4.11 1.26 -0.17 2.19 1.13 -1.11 -4.60 117.38 111.98 3hsp n GLN 420 Ca 0.09 -0.39 0.11 0.00 -1.94 0.00 0.00 57.00 54.88 3hsp n GLN 420 Cb 0.63 -1.46 0.44 0.00 0.11 0.00 0.00 30.24 29.96 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 0.91 0.61 0.00 1.08 5.08 -1.05 0.62 115.95 123.20 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 0.19 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3hsp h TRP 421 CO 0.01 0.27 0.00 -1.13 -1.28 0.00 0.00 178.44 176.31 3hsp n SER 422 N -4.49 0.00 -1.07 0.11 3.41 -1.26 -3.44 113.62 106.87 3hsp n SER 422 Ca 0.13 -0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.79 3hsp n SER 422 Cb 0.39 -0.28 0.22 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.28 2.49 -1.65 4.33 5.02 0.21 -5.00 118.16 122.28 3hsp n LYS 423 Ca 0.11 -2.28 -0.47 0.00 -2.02 0.00 0.00 58.31 53.65 3hsp n LYS 423 Cb 0.17 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 3hsp n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hsp n LEU 424 N 1.30 2.82 -4.61 -0.35 7.94 -1.22 -4.80 117.00 118.08 3hsp n LEU 424 Ca 0.19 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.76 3hsp n LEU 424 Cb 0.56 -1.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.07 3hsp n LEU 424 CO 0.14 -0.45 0.55 -1.58 -1.11 0.00 0.00 177.39 174.94 3hsp s GLN 425 N 0.73 3.97 -0.23 1.96 2.00 -0.87 -4.98 119.66 122.23 3hsp s GLN 425 Ca 0.79 0.55 -0.12 0.00 -2.00 0.00 0.00 55.36 54.59 3hsp s GLN 425 Cb -0.73 -3.72 -0.05 0.00 0.80 0.00 0.00 33.01 29.32 3hsp s GLN 425 CO 0.40 -0.64 0.22 0.08 -0.50 0.00 0.00 175.29 174.85 3hsp s VAL 426 N 2.87 5.32 -0.28 1.34 1.01 -1.26 -1.37 120.40 128.02 3hsp s VAL 426 Ca 0.31 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 3hsp s VAL 426 Cb -0.14 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3hsp s VAL 426 CO 0.12 0.32 0.12 -0.36 0.00 0.00 0.00 175.10 175.30 3hsp s PHE 427 N 1.17 3.14 -0.58 5.22 0.08 0.48 -4.97 117.98 122.53 3hsp s PHE 427 Ca 0.10 -0.42 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 3hsp s PHE 427 Cb -0.14 -2.31 0.06 0.00 -0.57 0.00 0.00 43.02 40.06 3hsp s PHE 427 CO 0.06 -0.38 0.89 0.34 -0.10 0.00 0.00 175.22 176.03 3hsp s ASP 428 N 1.63 6.26 -0.31 1.36 -1.08 -1.26 -1.45 116.67 121.82 3hsp s ASP 428 Ca 0.06 -0.70 0.09 0.00 -0.52 0.00 0.00 52.55 51.47 3hsp s ASP 428 Cb -0.16 -2.40 0.54 0.00 -1.46 0.00 0.00 42.92 39.44 3hsp s ASP 428 CO 0.06 -1.24 1.55 0.00 0.52 0.00 0.00 175.17 176.06 3hsp n ALA 429 N 7.28 4.43 1.07 3.66 0.00 0.32 -4.64 120.51 132.64 3hsp n ALA 429 Ca -0.02 -3.01 0.12 0.00 0.00 0.00 0.00 53.44 50.53 3hsp n ALA 429 Cb 0.46 -0.87 0.60 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.05 0.23 -0.04 0.00 1.74 -1.11 -2.11 116.66 114.32 3hsp n ARG 430 Ca 0.37 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.62 3hsp n ARG 430 Cb 1.14 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 31.59 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 -1.36 1.09 -4.75 0.55 5.68 -1.26 -4.50 116.55 111.98 3hsp n ASP 431 Ca 0.10 -1.52 -0.41 0.00 -0.50 0.00 0.00 54.79 52.46 3hsp n ASP 431 Cb 0.23 -0.05 -0.04 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 1.49 0.00 -4.24 0.00 -2.24 -1.26 -4.73 114.28 103.30 3hsp n THR 433 Ca 0.00 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3hsp n THR 433 Cb 0.44 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.30 0.65 0.38 4.28 -4.23 -1.26 -4.53 115.64 109.64 3hsp s THR 434 Ca 0.00 -1.98 0.12 0.00 -1.18 0.00 0.00 61.69 58.66 3hsp s THR 434 Cb 0.00 -2.12 0.11 0.00 1.34 0.00 0.00 72.50 71.84 3hsp s THR 434 CO 0.00 -0.47 1.86 0.00 -0.54 0.00 0.00 174.62 175.47 3hsp h ALA 435 N 2.70 1.45 -0.27 3.99 0.00 -1.89 -0.88 119.26 124.37 3hsp h ALA 435 Ca -0.37 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 3hsp h ALA 435 Cb 1.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hsp h ALA 435 CO 0.62 0.41 -0.44 0.45 0.00 0.00 0.00 179.25 180.30 3hsp h HIS 436 N 0.03 0.81 -0.66 0.00 3.86 -1.97 -1.29 115.15 115.93 3hsp h HIS 436 Ca 0.00 -0.25 0.02 0.00 -1.16 0.00 0.00 60.37 58.98 3hsp h HIS 436 Cb 0.57 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 3hsp h HIS 436 CO 0.00 0.99 0.42 0.78 0.86 0.00 0.00 177.93 180.98 3hsp h GLY 437 N 0.97 0.94 0.99 2.45 0.00 -1.70 -2.24 103.07 104.48 3hsp h GLY 437 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3hsp h GLY 437 CO 0.09 0.29 0.27 -0.33 0.00 0.00 0.00 176.54 176.85 3hsp h MET 438 N 0.83 0.87 -0.97 4.80 0.00 -0.97 -2.16 114.93 117.34 3hsp h MET 438 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 59.70 59.86 3hsp h MET 438 Cb -0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 31.60 31.37 3hsp h MET 438 CO -0.09 0.72 0.63 0.35 0.00 0.00 0.00 176.91 178.53 3hsp h PHE 439 N 0.82 1.18 -0.21 -0.22 3.57 -0.95 0.12 116.94 121.25 3hsp h PHE 439 Ca 0.20 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3hsp h PHE 439 Cb 0.15 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3hsp h PHE 439 CO 0.00 0.67 -0.10 -0.97 -2.23 0.00 0.00 178.31 175.68 3hsp h ASN 440 N 1.20 0.46 -0.62 0.41 -1.24 -1.02 0.27 115.58 115.04 3hsp h ASN 440 Ca 0.39 -0.41 0.03 0.00 0.71 0.00 0.00 56.30 57.02 3hsp h ASN 440 Cb 0.04 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 3hsp h ASN 440 CO -0.13 0.77 0.37 1.88 -1.29 0.00 0.00 177.43 179.03 3hsp h TYR 441 N 0.15 0.70 -0.41 0.67 0.05 -1.10 -1.77 116.97 115.26 3hsp h TYR 441 Ca 0.05 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 3hsp h TYR 441 Cb 0.59 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3hsp h TYR 441 CO 0.06 0.39 -0.18 0.82 -1.05 0.00 0.00 178.16 178.21 3hsp h ILE 442 N 0.73 1.28 -0.97 -2.88 2.04 -0.57 -0.99 117.51 116.14 3hsp h ILE 442 Ca 0.25 -1.31 0.07 0.00 1.00 0.00 0.00 64.86 64.86 3hsp h ILE 442 Cb 0.04 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3hsp h ILE 442 CO -0.11 0.44 0.62 0.00 0.00 0.00 0.00 178.15 179.10 3hsp h ASN 444 N 1.13 0.85 -0.02 0.00 2.35 -0.77 -1.97 115.58 117.15 3hsp h ASN 444 Ca 0.42 -0.39 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3hsp h ASN 444 Cb 0.17 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hsp h ASN 444 CO -0.17 1.14 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.99 3hsp h HIS 445 N 0.65 -0.04 -0.49 1.19 -0.00 -0.89 -0.30 115.15 115.26 3hsp h HIS 445 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3hsp h HIS 445 Cb 0.96 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 3hsp h HIS 445 CO 0.05 -0.03 0.32 0.28 -0.00 0.00 0.00 177.93 178.55 3hsp h VAL 446 N -0.02 1.11 -0.15 5.26 2.07 -1.01 0.22 116.25 123.73 3hsp h VAL 446 Ca 0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3hsp h VAL 446 Cb 0.04 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3hsp h VAL 446 CO -0.04 0.12 -0.04 0.50 0.02 0.00 0.00 177.57 178.13 3hsp h LYS 447 N 0.65 0.29 0.01 1.57 3.64 -1.29 -0.15 116.57 121.28 3hsp h LYS 447 Ca 0.19 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3hsp h LYS 447 Cb -0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3hsp h LYS 447 CO -0.05 0.57 -0.14 -0.92 -2.27 0.00 0.00 179.45 176.64 3hsp h TYR 448 N -0.02 -0.37 -0.47 1.91 5.03 -0.80 -2.15 116.97 120.10 3hsp h TYR 448 Ca 0.04 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 3hsp h TYR 448 Cb 0.47 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 3hsp h TYR 448 CO 0.05 -0.21 0.10 0.00 -1.32 0.00 0.00 178.16 176.78 3hsp h ALA 449 N 0.69 0.62 -0.33 1.82 0.00 -0.50 -3.04 119.26 118.52 3hsp h ALA 449 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hsp h ALA 449 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hsp h ALA 449 CO -0.13 0.33 0.18 1.15 0.00 0.00 0.00 179.25 180.78 3hsp h THR 450 N 0.64 1.14 -6.54 0.00 2.02 -0.98 -0.12 112.91 109.06 3hsp h THR 450 Ca 0.15 -0.36 -0.52 0.00 0.77 0.00 0.00 66.41 66.45 3hsp h THR 450 Cb 0.36 0.77 -0.12 0.00 -1.74 0.00 0.00 68.15 67.41 3hsp h THR 450 CO 0.01 0.14 -0.81 -3.20 0.37 0.00 0.00 175.52 172.03 3hsp n ASN 451 N -4.78 -3.56 -1.84 4.18 5.15 -0.81 -0.39 115.26 113.20 3hsp n ASN 451 Ca -0.01 -0.92 -0.20 0.00 -0.60 0.00 0.00 54.58 52.85 3hsp n ASN 451 Cb 0.08 -3.25 -0.06 0.00 -0.53 0.00 0.00 39.78 36.02 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 -4.50 -1.54 0.00 1.20 5.02 -1.26 -2.43 118.16 114.66 3hsp n LYS 452 Ca 0.02 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.42 3hsp n LYS 452 Cb 0.53 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 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 -0.57 2.47 3.45 0.72 0.00 0.48 -4.92 105.19 106.82 3hsp n GLY 453 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.67 6.93 0.42 1.61 2.47 -1.02 -0.87 114.94 122.82 3hsp s ASN 454 Ca 0.00 -2.71 -0.25 0.00 0.42 0.00 0.00 52.86 50.32 3hsp s ASN 454 Cb 0.00 -2.38 -0.08 0.00 -1.45 0.00 0.00 41.25 37.34 3hsp s ASN 454 CO 0.00 -0.82 1.21 -0.76 -3.72 0.00 0.00 177.10 173.02 3hsp s LEU 455 N 1.73 4.15 -0.06 3.21 1.02 -1.25 -4.44 118.68 123.04 3hsp s LEU 455 Ca 0.38 2.44 0.03 0.00 0.02 0.00 0.00 54.13 57.00 3hsp s LEU 455 Cb -0.04 -4.04 0.01 0.00 0.02 0.00 0.00 46.19 42.13 3hsp s LEU 455 CO -0.04 -0.82 -0.13 -0.13 0.02 0.00 0.00 176.35 175.25 3hsp s ARG 456 N -2.39 1.73 0.35 1.70 0.52 -0.06 -5.01 118.95 115.80 3hsp s ARG 456 Ca 0.59 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 3hsp s ARG 456 Cb -0.33 -1.44 -0.10 0.00 0.52 0.00 0.00 34.95 33.60 3hsp s ARG 456 CO 0.41 0.08 1.34 -1.54 0.02 0.00 0.00 175.30 175.61 3hsp s SER 457 N 0.50 6.63 0.12 0.23 1.04 -1.26 -4.48 113.70 116.48 3hsp s SER 457 Ca -0.12 2.75 -0.20 0.00 0.48 0.00 0.00 55.95 58.86 3hsp s SER 457 Cb -0.15 -2.65 0.05 0.00 0.10 0.00 0.00 66.02 63.38 3hsp s SER 457 CO 0.04 -0.64 0.50 0.00 0.98 0.00 0.00 173.24 174.12 3hsp s ALA 458 N -1.15 -1.28 -0.02 5.32 0.00 -0.76 -2.05 121.76 121.82 3hsp s ALA 458 Ca 0.51 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 3hsp s ALA 458 Cb -0.41 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3hsp s ALA 458 CO 0.54 -0.67 0.04 -1.50 0.00 0.00 0.00 175.76 174.17 3hsp s ILE 459 N -3.52 -0.02 -0.14 0.00 2.07 -0.47 -1.48 121.20 117.64 3hsp s ILE 459 Ca 0.01 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.29 3hsp s ILE 459 Cb 0.00 -0.07 -0.02 0.00 0.13 0.00 0.00 42.46 42.50 3hsp s ILE 459 CO -0.10 0.03 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.98 3hsp s THR 460 N 0.36 3.43 -0.25 4.00 2.01 -0.19 -0.39 115.64 124.61 3hsp s THR 460 Ca -0.03 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3hsp s THR 460 Cb -0.04 -2.47 0.06 0.00 0.01 0.00 0.00 72.50 70.05 3hsp s THR 460 CO -0.01 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.68 3hsp s ILE 461 N 0.38 2.14 0.67 1.82 1.01 -0.52 -2.98 121.20 123.72 3hsp s ILE 461 Ca -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 58.95 3hsp s ILE 461 Cb -0.15 -2.24 0.07 0.00 0.01 0.00 0.00 42.46 40.15 3hsp s ILE 461 CO 0.04 0.00 0.96 -0.36 0.00 0.00 0.00 174.94 175.59 3hsp s PHE 462 N 1.12 2.71 0.51 3.97 0.08 -0.98 -0.52 117.98 124.87 3hsp s PHE 462 Ca -0.08 0.24 -0.22 0.00 0.12 0.00 0.00 56.93 56.99 3hsp s PHE 462 Cb -0.20 -3.09 -0.08 0.00 -0.57 0.00 0.00 43.02 39.09 3hsp s PHE 462 CO -0.06 -1.34 1.06 -2.30 -0.10 0.00 0.00 175.22 172.48 3hsp n PRO 463 N -2.79 1.28 -1.25 0.24 -0.02 -1.25 -4.72 135.00 126.49 3hsp n PRO 463 Ca 0.09 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3hsp n PRO 463 Cb 0.60 -2.19 0.12 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.43 1.60 0.44 -0.52 -2.07 -1.26 -4.55 119.66 110.87 3hsp s GLN 464 Ca 0.69 0.90 -0.25 0.00 -1.82 0.00 0.00 55.36 54.88 3hsp s GLN 464 Cb -0.48 -1.84 -0.08 0.00 -1.09 0.00 0.00 33.01 29.52 3hsp s GLN 464 CO 0.52 -2.02 1.30 0.50 -1.32 0.00 0.00 175.29 174.27 3hsp s ARG 465 N -4.94 3.77 0.00 9.60 3.52 0.23 -4.89 118.95 126.23 3hsp s ARG 465 Ca 0.63 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 58.35 3hsp s ARG 465 Cb -0.17 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 3hsp s ARG 465 CO 0.56 -0.64 0.00 0.25 -0.81 0.00 0.00 175.30 174.66 3hsp n THR 466 N -0.20 0.00 0.74 4.11 -2.24 -1.26 -4.73 114.28 110.71 3hsp n THR 466 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3hsp n THR 466 Cb 0.44 -0.36 0.12 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.66 2.96 0.00 3.42 5.75 -1.26 -4.88 116.55 121.87 3hsp n ASP 467 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3hsp n ASP 467 Cb 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3hsp n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hsp n GLY 468 N 1.27 1.14 0.27 6.12 0.00 -1.26 -4.78 105.19 107.94 3hsp n GLY 468 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 1.89 -0.80 1.61 5.02 -1.26 -4.57 118.16 118.04 3hsp n LYS 469 Ca 0.00 -0.61 0.06 0.00 -2.02 0.00 0.00 58.31 55.74 3hsp n LYS 469 Cb 0.00 -1.22 0.17 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.40 0.00 -2.02 2.13 8.25 -1.26 -4.30 115.22 117.62 3hsp n HIS 470 Ca 0.05 -1.27 -0.39 0.00 -0.26 0.00 0.00 57.72 55.86 3hsp n HIS 470 Cb 0.29 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.95 6.18 -0.02 0.41 1.11 -1.26 -2.87 116.67 117.27 3hsp s ASP 471 Ca 0.37 2.67 -0.19 0.00 0.18 0.00 0.00 52.55 55.58 3hsp s ASP 471 Cb 0.37 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.67 3hsp s ASP 471 CO -0.09 -0.94 0.55 -0.36 1.18 0.00 0.00 175.17 175.50 3hsp s PHE 472 N -1.28 3.67 -0.05 4.23 0.40 -1.26 -1.20 117.98 122.49 3hsp s PHE 472 Ca 0.59 1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 57.99 3hsp s PHE 472 Cb -0.38 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.62 3hsp s PHE 472 CO 0.49 0.38 0.14 1.03 0.70 0.00 0.00 175.22 177.96 3hsp s ARG 473 N -0.25 0.19 -0.29 0.44 1.81 -0.61 -3.11 118.95 117.13 3hsp s ARG 473 Ca 0.29 0.15 -0.12 0.00 -1.72 0.00 0.00 55.73 54.33 3hsp s ARG 473 Cb -0.18 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 3hsp s ARG 473 CO 0.16 -0.03 0.21 0.08 -0.68 0.00 0.00 175.30 175.04 3hsp s VAL 474 N -0.04 5.30 -0.01 3.52 1.01 -1.26 -1.17 120.40 127.73 3hsp s VAL 474 Ca -0.01 0.13 0.14 0.00 0.00 0.00 0.00 61.98 62.24 3hsp s VAL 474 Cb -0.02 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3hsp s VAL 474 CO 0.00 0.20 1.48 -0.50 0.00 0.00 0.00 175.10 176.28 3hsp h TRP 475 N 8.38 0.00 -3.14 5.22 4.06 -1.43 -3.43 115.95 125.61 3hsp h TRP 475 Ca -0.34 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.03 3hsp h TRP 475 Cb 1.18 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.46 3hsp h TRP 475 CO 0.74 0.58 0.38 0.09 -3.56 0.00 0.00 178.44 176.68 3hsp n ASN 476 N -3.34 2.23 0.07 -3.49 4.13 -1.26 -4.93 115.26 108.68 3hsp n ASN 476 Ca 0.01 1.17 -0.14 0.00 1.68 0.00 0.00 54.58 57.29 3hsp n ASN 476 Cb 0.72 -1.43 -0.14 0.00 -1.54 0.00 0.00 39.78 37.40 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 2.23 0.31 -3.81 6.41 4.64 -1.90 -3.36 113.55 118.07 3hsp h SER 477 Ca -0.45 -0.38 -0.39 0.00 -0.47 0.00 0.00 61.79 60.10 3hsp h SER 477 Cb 1.30 -0.10 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 3hsp h SER 477 CO 0.61 1.31 -0.74 -1.10 -0.87 0.00 0.00 176.83 176.04 3hsp s GLN 478 N -2.64 1.11 0.26 4.77 -0.21 -1.26 -1.27 119.66 120.42 3hsp s GLN 478 Ca -0.05 -1.40 -0.03 0.00 0.02 0.00 0.00 55.36 53.89 3hsp s GLN 478 Cb 0.07 -0.85 0.34 0.00 1.00 0.00 0.00 33.01 33.58 3hsp s GLN 478 CO 0.86 0.14 1.82 -0.07 -2.12 0.00 0.00 175.29 175.91 3hsp h LEU 479 N 3.00 0.86 -7.98 2.90 3.38 -1.48 -3.39 115.31 112.61 3hsp h LEU 479 Ca -0.38 -0.15 -0.66 0.00 0.09 0.00 0.00 57.88 56.79 3hsp h LEU 479 Cb 1.20 -0.22 -0.36 0.00 0.09 0.00 0.00 40.66 41.37 3hsp h LEU 479 CO 0.58 0.81 -0.84 -0.63 0.09 0.00 0.00 178.44 178.46 3hsp s ILE 480 N -5.31 1.98 0.13 1.22 1.01 -1.26 -4.85 121.20 114.12 3hsp s ILE 480 Ca -0.10 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.36 3hsp s ILE 480 Cb 0.16 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.77 3hsp s ILE 480 CO 0.81 0.39 0.38 -0.13 0.00 0.00 0.00 174.94 176.39 3hsp s ARG 481 N 1.29 1.09 0.02 2.79 0.52 -1.26 -4.81 118.95 118.59 3hsp s ARG 481 Ca 0.02 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.34 3hsp s ARG 481 Cb -0.15 0.45 -0.05 0.00 0.52 0.00 0.00 34.95 35.73 3hsp s ARG 481 CO -0.11 -0.42 0.30 0.71 0.02 0.00 0.00 175.30 175.80 3hsp s TYR 482 N -3.84 3.59 0.69 -0.53 2.02 -1.26 -1.26 117.35 116.77 3hsp s TYR 482 Ca 0.05 0.64 -0.14 0.00 -0.37 0.00 0.00 57.07 57.26 3hsp s TYR 482 Cb 0.02 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3hsp s TYR 482 CO -0.09 0.60 1.11 0.00 -1.57 0.00 0.00 175.55 175.60 3hsp s ALA 483 N -1.29 2.38 -0.02 3.71 0.00 0.18 -4.40 121.76 122.32 3hsp s ALA 483 Ca 0.28 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3hsp s ALA 483 Cb -0.13 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3hsp s ALA 483 CO 0.16 -1.46 -0.14 0.20 0.00 0.00 0.00 175.76 174.52 3hsp s GLY 484 N -2.74 0.72 -0.13 0.00 0.00 -1.23 -1.01 107.32 102.93 3hsp s GLY 484 Ca 0.66 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.77 3hsp s GLY 484 CO 0.45 -0.44 -0.03 -0.19 0.00 0.00 0.00 173.10 172.90 3hsp s TYR 485 N -0.21 1.24 -0.12 1.90 2.02 0.11 -4.15 117.35 118.14 3hsp s TYR 485 Ca 0.03 -0.71 -0.30 0.00 -0.37 0.00 0.00 57.07 55.73 3hsp s TYR 485 Cb -0.07 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 3hsp s TYR 485 CO -0.00 -0.51 1.12 0.21 -1.57 0.00 0.00 175.55 174.80 3hsp s LYS 486 N 1.79 4.34 0.36 -0.62 2.47 -1.26 -0.86 119.74 125.95 3hsp s LYS 486 Ca 0.03 1.52 -0.06 0.00 -1.56 0.00 0.00 55.97 55.89 3hsp s LYS 486 Cb -0.14 -3.60 -0.05 0.00 -1.46 0.00 0.00 37.83 32.58 3hsp s LYS 486 CO -0.07 -0.48 0.66 -0.65 0.16 0.00 0.00 175.35 174.98 3hsp s GLN 487 N 2.52 3.66 0.29 4.03 -1.52 0.06 -4.98 119.66 123.70 3hsp s GLN 487 Ca 0.51 0.17 0.03 0.00 -1.95 0.00 0.00 55.36 54.12 3hsp s GLN 487 Cb -0.20 -2.52 0.66 0.00 -0.22 0.00 0.00 33.01 30.73 3hsp s GLN 487 CO 0.17 0.06 1.75 -1.35 -0.25 0.00 0.00 175.29 175.67 3hsp h PRO 488 N 1.23 0.61 0.00 2.91 0.11 -1.96 0.79 132.00 135.69 3hsp h PRO 488 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hsp h PRO 488 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hsp h PRO 488 CO 0.64 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 3hsp n ASP 489 N -4.87 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.17 3hsp n ASP 489 Ca 0.21 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 3hsp n ASP 489 Cb 0.54 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 3hsp n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hsp n GLY 490 N 0.32 0.71 3.87 6.12 0.00 0.27 -5.05 105.19 111.43 3hsp n GLY 490 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.87 3.28 -0.05 1.61 1.04 -1.26 -4.79 113.70 110.65 3hsp s SER 491 Ca 0.00 0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.97 3hsp s SER 491 Cb 0.00 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.37 3hsp s SER 491 CO 0.00 -2.65 -0.11 -0.89 0.98 0.00 0.00 173.24 170.57 3hsp s THR 492 N -3.64 1.01 -0.18 2.02 2.01 -1.26 -0.76 115.64 114.83 3hsp s THR 492 Ca 0.69 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 3hsp s THR 492 Cb -0.08 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3hsp s THR 492 CO 0.52 0.32 0.12 -0.22 -0.69 0.00 0.00 174.62 174.68 3hsp s LEU 493 N 0.58 4.17 0.00 4.42 2.96 -0.04 -4.94 118.68 125.83 3hsp s LEU 493 Ca -0.12 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3hsp s LEU 493 Cb -0.14 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3hsp s LEU 493 CO 0.03 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 3hsp n GLY 494 N 3.29 0.25 3.52 7.98 0.00 -1.26 0.04 105.19 119.01 3hsp n GLY 494 Ca -0.17 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 6.14 0.61 1.61 -1.08 -0.18 -4.78 116.67 114.99 3hsp s ASP 495 Ca 0.00 -0.45 0.38 0.00 -0.52 0.00 0.00 52.55 51.96 3hsp s ASP 495 Cb 0.00 -2.18 1.92 0.00 -1.46 0.00 0.00 42.92 41.20 3hsp s ASP 495 CO 0.00 -0.38 2.20 -0.65 0.52 0.00 0.00 175.17 176.87 3hsp h PRO 496 N 8.54 0.00 0.00 4.34 0.11 -1.82 -1.89 132.00 141.29 3hsp h PRO 496 Ca -0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3hsp h PRO 496 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hsp h PRO 496 CO 0.70 0.02 -0.08 0.00 -0.21 0.00 0.00 178.00 178.43 3hsp h ALA 497 N 1.98 1.41 -0.40 -0.75 0.00 -1.92 -3.06 119.26 116.52 3hsp h ALA 497 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hsp h ALA 497 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hsp h ALA 497 CO 0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3hsp n ASN 498 N -3.78 3.48 0.03 0.00 3.02 -0.71 -4.67 115.26 112.62 3hsp n ASN 498 Ca -0.02 -2.29 -0.10 0.00 -0.03 0.00 0.00 54.58 52.13 3hsp n ASN 498 Cb 0.18 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 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 2.43 0.43 -0.50 2.41 2.07 -1.61 0.37 116.25 121.85 3hsp h VAL 499 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hsp h VAL 499 Cb 1.02 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3hsp h VAL 499 CO 0.08 0.00 0.25 -0.61 0.02 0.00 0.00 177.57 177.31 3hsp h GLN 500 N -0.34 0.47 -0.36 1.57 4.15 -1.85 -0.17 115.11 118.57 3hsp h GLN 500 Ca 0.08 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 3hsp h GLN 500 Cb 0.46 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3hsp h GLN 500 CO -0.27 0.31 -0.39 0.35 -1.93 0.00 0.00 178.83 176.90 3hsp h PHE 501 N 0.48 1.06 -0.89 3.99 3.57 -1.81 -2.09 116.94 121.25 3hsp h PHE 501 Ca 0.22 -0.32 0.08 0.00 3.53 0.00 0.00 57.97 61.49 3hsp h PHE 501 Cb 0.14 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 3hsp h PHE 501 CO -0.11 1.13 0.54 1.15 -2.23 0.00 0.00 178.31 178.80 3hsp h THR 502 N 0.72 0.98 -0.29 4.41 2.02 0.17 -1.07 112.91 119.85 3hsp h THR 502 Ca 0.06 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 3hsp h THR 502 Cb 0.98 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3hsp h THR 502 CO 0.09 0.17 -0.14 -0.33 0.37 0.00 0.00 175.52 175.69 3hsp h GLU 503 N 0.94 0.51 -0.14 6.66 5.08 -0.69 -0.93 114.58 126.00 3hsp h GLU 503 Ca 0.41 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3hsp h GLU 503 Cb 0.29 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hsp h GLU 503 CO -0.21 0.64 -0.04 0.82 -1.00 0.00 0.00 179.01 179.22 3hsp h ILE 504 N 0.47 1.29 -0.32 3.13 2.04 -0.81 -1.40 117.51 121.91 3hsp h ILE 504 Ca 0.08 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 64.99 3hsp h ILE 504 Cb 0.52 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3hsp h ILE 504 CO 0.03 0.29 0.07 0.00 0.00 0.00 0.00 178.15 178.54 3hsp h ILE 506 N 0.19 1.09 -0.63 0.00 2.04 -1.15 -1.09 117.51 117.97 3hsp h ILE 506 Ca 0.15 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3hsp h ILE 506 Cb 0.16 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 3hsp h ILE 506 CO -0.19 0.16 0.40 -0.61 0.00 0.00 0.00 178.15 177.91 3hsp h GLN 507 N 0.86 0.84 -0.00 2.37 4.15 -0.26 -1.59 115.11 121.48 3hsp h GLN 507 Ca 0.28 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3hsp h GLN 507 Cb 0.02 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.53 3hsp h GLN 507 CO -0.11 0.57 -0.03 1.04 -1.93 0.00 0.00 178.83 178.37 3hsp n GLN 508 N -4.43 0.48 0.00 1.69 1.13 -0.43 -4.87 117.38 110.96 3hsp n GLN 508 Ca 0.06 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3hsp n GLN 508 Cb 0.05 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3hsp n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hsp n GLY 509 N 1.28 1.03 3.73 1.08 0.00 -0.60 -4.94 105.19 106.77 3hsp n GLY 509 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hsp n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hsp s TRP 510 N -2.00 2.95 -0.58 1.61 -0.00 -0.49 -4.95 118.94 115.47 3hsp s TRP 510 Ca 0.00 0.62 -0.20 0.00 -0.00 0.00 0.00 56.10 56.52 3hsp s TRP 510 Cb 0.00 -4.00 0.08 0.00 -0.00 0.00 0.00 33.47 29.55 3hsp s TRP 510 CO 0.00 -3.63 0.76 0.15 -0.00 0.00 0.00 176.95 174.23 3hsp s LYS 511 N 0.64 3.10 -0.03 5.86 1.02 -1.26 -4.43 119.74 124.63 3hsp s LYS 511 Ca 0.69 -1.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 3hsp s LYS 511 Cb -0.46 -4.20 -0.03 0.00 -0.52 0.00 0.00 37.83 32.62 3hsp s LYS 511 CO 0.36 -1.52 1.09 0.00 -0.92 0.00 0.00 175.35 174.36 3hsp s ALA 512 N 3.07 3.36 0.28 5.17 0.00 -1.26 -4.92 121.76 127.47 3hsp s ALA 512 Ca 0.16 0.58 0.37 0.00 0.00 0.00 0.00 51.96 53.07 3hsp s ALA 512 Cb -0.20 -3.44 1.78 0.00 0.00 0.00 0.00 23.12 21.26 3hsp s ALA 512 CO 0.09 -0.52 2.11 -1.35 0.00 0.00 0.00 175.76 176.10 3hsp h PRO 513 N 7.07 0.00 -6.08 0.00 0.11 -1.99 -3.47 132.00 127.63 3hsp h PRO 513 Ca -0.37 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.34 3hsp h PRO 513 Cb 1.18 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.36 3hsp h PRO 513 CO 0.83 0.00 -0.87 0.54 -0.21 0.00 0.00 178.00 178.29 3hsp n ARG 514 N -2.98 -3.54 -1.72 1.05 1.74 -1.26 -5.04 116.66 104.92 3hsp n ARG 514 Ca -0.01 0.59 -0.03 0.00 -0.77 0.00 0.00 57.85 57.63 3hsp n ARG 514 Cb 0.19 -4.93 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 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 -1.60 2.88 0.14 -0.13 0.00 -1.26 -5.05 105.19 100.18 3hsp n GLY 515 Ca -0.22 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 -1.58 1.61 2.43 -1.92 -3.39 114.38 111.53 3hsp h ARG 516 Ca -0.04 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.69 3hsp h ARG 516 Cb 0.16 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.31 3hsp h ARG 516 CO 0.07 0.01 -1.16 1.19 -1.51 0.00 0.00 179.97 178.56 3hsp n PHE 517 N -2.81 0.84 -3.20 2.20 3.72 -1.26 -4.11 117.46 112.85 3hsp n PHE 517 Ca 0.01 -3.38 -0.40 0.00 -0.05 0.00 0.00 57.45 53.63 3hsp n PHE 517 Cb 0.55 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.79 6.54 0.00 4.37 1.01 -1.26 -4.94 116.67 119.59 3hsp s ASP 518 Ca 0.35 0.65 -0.30 0.00 0.71 0.00 0.00 52.55 53.96 3hsp s ASP 518 Cb 0.39 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.96 3hsp s ASP 518 CO -0.04 -0.26 1.52 -0.69 0.21 0.00 0.00 175.17 175.91 3hsp s VAL 519 N 2.06 3.52 0.66 -1.27 1.01 -1.26 -0.64 120.40 124.48 3hsp s VAL 519 Ca 0.24 0.87 -0.16 0.00 0.00 0.00 0.00 61.98 62.92 3hsp s VAL 519 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3hsp s VAL 519 CO 0.09 -0.02 1.19 -0.76 0.00 0.00 0.00 175.10 175.60 3hsp s LEU 520 N 2.83 3.47 0.59 3.92 1.43 -0.39 -4.89 118.68 125.64 3hsp s LEU 520 Ca 0.68 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 55.96 3hsp s LEU 520 Cb -0.34 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.25 3hsp s LEU 520 CO 0.28 -1.89 1.02 -2.16 0.23 0.00 0.00 176.35 173.83 3hsp s PRO 521 N -3.71 3.64 0.22 1.29 0.04 -1.26 -4.71 135.00 130.50 3hsp s PRO 521 Ca 0.74 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 3hsp s PRO 521 Cb -0.28 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3hsp s PRO 521 CO 0.40 -0.53 0.96 -0.51 0.04 0.00 0.00 177.00 177.35 3hsp s LEU 522 N -4.87 4.61 -0.28 -3.56 1.43 0.18 -4.88 118.68 111.32 3hsp s LEU 522 Ca 0.57 1.94 0.02 0.00 -1.03 0.00 0.00 54.13 55.63 3hsp s LEU 522 Cb -0.11 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3hsp s LEU 522 CO 0.47 0.10 -0.06 -0.22 0.23 0.00 0.00 176.35 176.86 3hsp s LEU 523 N -0.97 3.75 -0.13 1.79 2.96 -1.26 -1.17 118.68 123.65 3hsp s LEU 523 Ca 0.42 -1.50 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 3hsp s LEU 523 Cb -0.26 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3hsp s LEU 523 CO 0.32 -0.24 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.14 3hsp s LEU 524 N 1.10 2.07 -0.27 -0.68 1.43 -0.17 -1.09 118.68 121.08 3hsp s LEU 524 Ca -0.05 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 3hsp s LEU 524 Cb -0.20 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3hsp s LEU 524 CO -0.05 0.08 0.13 -1.58 0.23 0.00 0.00 176.35 175.17 3hsp s GLN 525 N 0.77 3.74 -0.09 1.70 0.74 -0.32 -0.52 119.66 125.68 3hsp s GLN 525 Ca -0.09 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 54.89 3hsp s GLN 525 Cb -0.16 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3hsp s GLN 525 CO -0.01 -0.21 -0.09 0.00 -0.55 0.00 0.00 175.29 174.44 3hsp s ALA 526 N 1.68 2.87 -1.39 1.58 0.00 -1.26 -1.57 121.76 123.67 3hsp s ALA 526 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3hsp s ALA 526 Cb -0.16 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3hsp s ALA 526 CO 0.07 0.47 0.16 -1.71 0.00 0.00 0.00 175.76 174.75 3hsp n ASN 527 N 2.62 -4.85 0.00 0.00 5.15 -1.20 -1.25 115.26 115.73 3hsp n ASN 527 Ca -0.18 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 3hsp n ASN 527 Cb 0.53 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 3hsp n ASN 527 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hsp n GLY 528 N -1.03 1.16 3.79 8.20 0.00 -0.34 -4.49 105.19 112.49 3hsp n GLY 528 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.11 4.63 0.43 1.61 0.01 -0.38 -4.86 114.94 113.27 3hsp s ASN 529 Ca 0.00 1.53 -0.26 0.00 -0.71 0.00 0.00 52.86 53.42 3hsp s ASN 529 Cb 0.00 -2.30 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 3hsp s ASN 529 CO 0.00 -1.91 1.43 -1.81 -1.51 0.00 0.00 177.10 173.29 3hsp s ASP 530 N -3.70 6.00 0.67 -1.22 1.01 -1.26 -4.36 116.67 113.81 3hsp s ASP 530 Ca 0.60 2.92 -0.12 0.00 0.71 0.00 0.00 52.55 56.66 3hsp s ASP 530 Cb -0.15 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.12 3hsp s ASP 530 CO 0.55 -1.09 1.06 -2.16 0.21 0.00 0.00 175.17 173.74 3hsp s PRO 531 N -2.37 3.04 0.09 8.23 0.04 -1.26 -4.73 135.00 138.04 3hsp s PRO 531 Ca 0.59 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.73 3hsp s PRO 531 Cb -0.44 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3hsp s PRO 531 CO 0.57 -1.02 -0.18 -1.21 0.04 0.00 0.00 177.00 175.19 3hsp s GLU 532 N -4.75 1.01 0.06 4.56 2.02 0.32 -4.82 118.70 117.09 3hsp s GLU 532 Ca 0.60 -1.08 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 3hsp s GLU 532 Cb -0.15 -1.18 -0.06 0.00 0.10 0.00 0.00 34.13 32.84 3hsp s GLU 532 CO 0.50 0.27 0.45 -0.51 0.02 0.00 0.00 175.26 175.98 3hsp s LEU 533 N -1.83 4.42 -0.05 1.80 1.43 -1.26 -0.99 118.68 122.20 3hsp s LEU 533 Ca 0.03 0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3hsp s LEU 533 Cb -0.10 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.27 3hsp s LEU 533 CO 0.03 0.23 0.16 -0.36 0.23 0.00 0.00 176.35 176.65 3hsp s PHE 534 N -1.25 -0.13 -0.19 0.29 0.08 -0.32 -4.98 117.98 111.49 3hsp s PHE 534 Ca 0.30 0.30 -0.15 0.00 0.12 0.00 0.00 56.93 57.50 3hsp s PHE 534 Cb -0.16 0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 3hsp s PHE 534 CO 0.16 -0.14 0.34 -1.14 -0.10 0.00 0.00 175.22 174.35 3hsp s GLN 535 N -0.29 4.20 0.17 0.44 0.74 -1.26 0.49 119.66 124.14 3hsp s GLN 535 Ca -0.04 0.13 -0.31 0.00 0.05 0.00 0.00 55.36 55.20 3hsp s GLN 535 Cb -0.03 -3.50 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 3hsp s GLN 535 CO 0.01 0.07 1.44 0.42 -0.55 0.00 0.00 175.29 176.67 3hsp s ILE 536 N 0.99 2.97 0.03 -2.34 1.01 -1.26 -4.91 121.20 117.67 3hsp s ILE 536 Ca 0.17 0.73 -0.34 0.00 0.00 0.00 0.00 60.65 61.21 3hsp s ILE 536 Cb -0.14 -3.47 -0.13 0.00 0.01 0.00 0.00 42.46 38.73 3hsp s ILE 536 CO 0.06 0.08 1.71 -2.65 0.00 0.00 0.00 174.94 174.14 3hsp n PRO 537 N 3.43 2.08 -0.35 2.79 -0.02 -1.26 -4.82 135.00 136.86 3hsp n PRO 537 Ca 0.10 0.76 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 3hsp n PRO 537 Cb 0.41 -2.55 0.30 0.00 -0.02 0.00 0.00 33.50 31.64 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 7.40 0.80 -0.14 0.52 0.11 -1.95 0.15 132.00 138.89 3hsp h PRO 538 Ca -0.47 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3hsp h PRO 538 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3hsp h PRO 538 CO 0.91 0.53 0.26 1.05 -0.21 0.00 0.00 178.00 180.54 3hsp h GLU 539 N 0.83 0.00 0.00 1.05 9.09 -2.03 -0.60 114.58 122.91 3hsp h GLU 539 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 3hsp h GLU 539 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3hsp h GLU 539 CO -0.32 0.00 -0.55 1.28 0.05 0.00 0.00 179.01 179.48 3hsp n LEU 540 N -3.40 0.54 -4.39 3.06 4.77 0.52 -4.78 117.00 113.32 3hsp n LEU 540 Ca 0.01 0.08 -0.44 0.00 -0.03 0.00 0.00 56.01 55.62 3hsp n LEU 540 Cb 0.36 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3hsp n LEU 540 CO 0.22 0.07 0.43 -0.69 -1.33 0.00 0.00 177.39 176.09 3hsp s VAL 541 N -3.06 4.78 -0.13 4.08 1.01 -0.24 -4.79 120.40 122.06 3hsp s VAL 541 Ca 0.09 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 3hsp s VAL 541 Cb 0.16 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3hsp s VAL 541 CO 0.70 -1.11 0.97 -0.22 0.00 0.00 0.00 175.10 175.44 3hsp s LEU 542 N 2.80 4.22 0.24 3.92 2.96 -1.26 -5.01 118.68 126.55 3hsp s LEU 542 Ca 0.13 1.43 0.10 0.00 -0.22 0.00 0.00 54.13 55.57 3hsp s LEU 542 Cb -0.23 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3hsp s LEU 542 CO 0.07 -0.45 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.86 3hsp s GLU 543 N 2.14 1.51 -0.13 1.98 2.02 -1.26 -0.84 118.70 124.12 3hsp s GLU 543 Ca 0.45 -1.67 -0.01 0.00 0.02 0.00 0.00 54.97 53.76 3hsp s GLU 543 Cb -0.18 -1.48 0.04 0.00 0.10 0.00 0.00 34.13 32.61 3hsp s GLU 543 CO 0.15 0.27 -0.02 0.08 0.02 0.00 0.00 175.26 175.76 3hsp s VAL 544 N -2.66 0.75 0.22 2.63 1.01 0.53 -4.90 120.40 117.98 3hsp s VAL 544 Ca 0.26 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3hsp s VAL 544 Cb -0.03 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 3hsp s VAL 544 CO 0.11 0.14 1.17 -2.16 0.00 0.00 0.00 175.10 174.36 3hsp s PRO 545 N 1.80 4.53 -0.25 2.72 0.04 -1.26 -1.37 135.00 141.21 3hsp s PRO 545 Ca 0.02 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 3hsp s PRO 545 Cb -0.14 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3hsp s PRO 545 CO -0.07 -0.01 0.31 0.42 0.04 0.00 0.00 177.00 177.70 3hsp s ILE 546 N -0.40 5.23 0.26 0.56 -1.09 0.00 -4.86 121.20 120.91 3hsp s ILE 546 Ca 0.50 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 3hsp s ILE 546 Cb -0.33 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 3hsp s ILE 546 CO 0.39 0.23 0.09 0.00 -1.23 0.00 0.00 174.94 174.42 3hsp s ARG 547 N 1.64 1.43 -0.02 2.79 3.03 -1.26 -4.08 118.95 122.49 3hsp s ARG 547 Ca 0.14 -1.78 0.06 0.00 2.03 0.00 0.00 55.73 56.18 3hsp s ARG 547 Cb -0.15 -0.33 -0.03 0.00 -1.03 0.00 0.00 34.95 33.42 3hsp s ARG 547 CO 0.09 -0.28 -0.19 -1.58 -1.13 0.00 0.00 175.30 172.21 3hsp s HIS 548 N -3.71 2.56 0.37 5.89 2.46 -1.26 -4.39 115.29 117.21 3hsp s HIS 548 Ca 0.38 -0.26 0.28 0.00 0.47 0.00 0.00 55.06 55.92 3hsp s HIS 548 Cb 0.08 -1.55 1.40 0.00 -0.13 0.00 0.00 32.58 32.38 3hsp s HIS 548 CO 0.14 0.15 2.04 -1.00 -2.47 0.00 0.00 174.74 173.60 3hsp h PRO 549 N 5.15 0.00 0.00 2.88 0.13 -1.92 -3.30 132.00 134.94 3hsp h PRO 549 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 3hsp h PRO 549 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3hsp h PRO 549 CO 0.49 0.13 -1.70 1.63 -0.23 0.00 0.00 178.00 178.31 3hsp n LYS 550 N -3.57 1.47 -3.22 0.86 5.02 -1.26 -4.96 118.16 112.50 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 0.26 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.25 3.10 -0.26 2.13 0.08 -1.24 -4.91 117.98 114.63 3hsp s PHE 551 Ca -0.10 -0.59 0.28 0.00 0.12 0.00 0.00 56.93 56.64 3hsp s PHE 551 Cb 0.04 -3.40 1.08 0.00 -0.57 0.00 0.00 43.02 40.17 3hsp s PHE 551 CO 0.36 -0.95 1.83 0.22 -0.10 0.00 0.00 175.22 176.57 3hsp h ASP 552 N 8.92 0.00 1.14 1.36 3.58 -1.93 -2.59 116.42 126.89 3hsp h ASP 552 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 3hsp h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3hsp h ASP 552 CO 0.93 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 174.62 3hsp n TRP 553 N -2.66 0.39 -0.25 0.28 4.27 -1.26 -3.92 117.44 114.29 3hsp n TRP 553 Ca 0.02 0.12 -0.06 0.00 -3.89 0.00 0.00 57.50 53.69 3hsp n TRP 553 Cb 0.30 -0.69 0.05 0.00 -1.36 0.00 0.00 31.31 29.61 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 0.99 -0.18 -2.67 3.04 -1.84 -2.24 116.94 114.05 3hsp h PHE 554 Ca 0.00 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.91 3hsp h PHE 554 Cb 0.57 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 3hsp h PHE 554 CO 0.00 0.73 0.12 1.57 -2.02 0.00 0.00 178.31 178.71 3hsp h LYS 555 N 0.96 0.24 0.00 1.11 2.10 -1.71 -0.82 116.57 118.45 3hsp h LYS 555 Ca 0.24 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3hsp h LYS 555 Cb 0.11 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3hsp h LYS 555 CO -0.03 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 3hsp n ASP 556 N -4.51 0.00 0.20 7.07 8.00 -0.84 -1.59 116.55 124.88 3hsp n ASP 556 Ca -0.00 -0.25 0.14 0.00 0.71 0.00 0.00 54.79 55.39 3hsp n ASP 556 Cb 0.08 -0.20 0.68 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.04 0.64 3.38 -1.15 -3.46 115.31 114.76 3hsp h LEU 557 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hsp h LEU 557 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hsp h LEU 557 CO 0.00 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.12 3hsp n GLY 558 N -0.62 0.49 3.76 0.83 0.00 -0.62 -5.01 105.19 104.01 3hsp n GLY 558 Ca -0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.20 4.57 0.18 0.99 1.43 -1.26 -4.99 118.68 119.40 3hsp s LEU 559 Ca 0.00 1.86 -0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3hsp s LEU 559 Cb 0.00 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3hsp s LEU 559 CO 0.00 0.12 0.27 -1.59 0.23 0.00 0.00 176.35 175.38 3hsp s LYS 560 N -1.38 1.21 0.12 1.70 -2.85 -1.26 -0.82 119.74 116.47 3hsp s LYS 560 Ca 0.42 -1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 54.02 3hsp s LYS 560 Cb -0.24 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 3hsp s LYS 560 CO 0.29 -0.44 0.18 -0.46 0.10 0.00 0.00 175.35 175.02 3hsp s TRP 561 N -4.02 0.41 0.38 1.78 -0.11 -0.47 -4.91 118.94 112.00 3hsp s TRP 561 Ca 0.23 -0.82 -0.17 0.00 1.22 0.00 0.00 56.10 56.55 3hsp s TRP 561 Cb 0.04 -0.17 -0.10 0.00 -1.50 0.00 0.00 33.47 31.74 3hsp s TRP 561 CO 0.04 -0.59 0.84 1.52 -4.62 0.00 0.00 176.95 174.14 3hsp s TYR 562 N -3.94 3.35 -0.21 5.86 -0.85 -1.26 -0.35 117.35 119.95 3hsp s TYR 562 Ca 0.13 1.39 0.17 0.00 -0.52 0.00 0.00 57.07 58.25 3hsp s TYR 562 Cb 0.05 -2.68 0.08 0.00 0.38 0.00 0.00 41.96 39.80 3hsp s TYR 562 CO -0.04 -0.02 1.36 0.78 -1.52 0.00 0.00 175.55 176.10 3hsp h GLY 563 N 2.02 0.00 -7.50 5.49 0.00 -1.33 -3.45 103.07 98.29 3hsp h GLY 563 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.14 3hsp h GLY 563 CO 0.63 0.00 -0.50 -2.27 0.00 0.00 0.00 176.54 174.40 3hsp s LEU 564 N -6.23 4.98 -0.24 3.11 2.96 -1.26 -4.54 118.68 117.46 3hsp s LEU 564 Ca 0.03 -1.46 -0.26 0.00 -0.22 0.00 0.00 54.13 52.23 3hsp s LEU 564 Cb 0.07 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3hsp s LEU 564 CO 0.74 -0.49 0.89 -2.16 -1.32 0.00 0.00 176.35 174.01 3hsp s PRO 565 N 1.40 4.21 -0.38 0.98 0.04 -1.26 -4.67 135.00 135.32 3hsp s PRO 565 Ca 0.02 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.13 3hsp s PRO 565 Cb -0.22 -3.64 0.15 0.00 0.04 0.00 0.00 34.50 30.83 3hsp s PRO 565 CO 0.02 -0.54 0.25 0.00 0.04 0.00 0.00 177.00 176.77 3hsp s ALA 566 N 2.92 1.14 0.09 8.56 0.00 -1.26 -3.21 121.76 130.01 3hsp s ALA 566 Ca 0.37 -2.09 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 3hsp s ALA 566 Cb -0.15 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 3hsp s ALA 566 CO 0.07 -2.06 1.74 0.08 0.00 0.00 0.00 175.76 175.59 3hsp s VAL 567 N 0.71 2.80 0.00 0.00 1.01 -0.31 -1.21 120.40 123.39 3hsp s VAL 567 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3hsp s VAL 567 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3hsp s VAL 567 CO -0.06 -0.00 0.67 -1.54 0.00 0.00 0.00 175.10 174.17 3hsp n SER 568 N 5.70 1.30 -0.18 3.32 3.41 -0.39 -1.74 113.62 125.04 3hsp n SER 568 Ca 0.17 -1.39 0.02 0.00 -0.26 0.00 0.00 58.87 57.41 3hsp n SER 568 Cb 0.39 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.19 2.01 -4.94 4.04 6.94 -1.24 -4.42 115.26 117.45 3hsp n ASN 569 Ca 0.00 -1.76 -0.24 0.00 -0.02 0.00 0.00 54.58 52.55 3hsp n ASN 569 Cb 0.13 -0.05 0.04 0.00 -2.36 0.00 0.00 39.78 37.54 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 -0.80 2.64 -0.09 -3.83 -1.94 -1.26 -4.28 119.30 109.74 3hsp s MET 570 Ca 0.06 -0.34 0.02 0.00 -1.71 0.00 0.00 55.69 53.72 3hsp s MET 570 Cb 0.03 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.52 3hsp s MET 570 CO 0.05 -0.79 -0.16 -1.17 -0.01 0.00 0.00 175.02 172.94 3hsp s LEU 571 N -4.94 2.59 -0.28 -0.03 0.20 -0.01 -4.37 118.68 111.84 3hsp s LEU 571 Ca 0.56 -0.33 -0.10 0.00 0.69 0.00 0.00 54.13 54.95 3hsp s LEU 571 Cb -0.10 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 3hsp s LEU 571 CO 0.42 0.24 0.15 -0.22 -0.29 0.00 0.00 176.35 176.64 3hsp s LEU 572 N -0.08 3.88 -0.25 -0.68 2.96 -0.04 -0.04 118.68 124.43 3hsp s LEU 572 Ca -0.03 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 3hsp s LEU 572 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3hsp s LEU 572 CO 0.04 -0.09 0.12 -0.70 -1.32 0.00 0.00 176.35 174.40 3hsp s GLU 573 N 1.68 3.85 -0.06 1.98 2.12 0.54 -0.89 118.70 127.92 3hsp s GLU 573 Ca 0.06 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 3hsp s GLU 573 Cb -0.16 -3.45 0.03 0.00 0.26 0.00 0.00 34.13 30.81 3hsp s GLU 573 CO 0.07 -0.09 -0.01 0.42 -0.54 0.00 0.00 175.26 175.12 3hsp s ILE 574 N 1.42 0.38 -1.57 -3.70 1.01 -0.86 -1.58 121.20 116.30 3hsp s ILE 574 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3hsp s ILE 574 Cb -0.15 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.81 3hsp s ILE 574 CO 0.06 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.86 3hsp n GLY 575 N 4.91 -0.29 1.56 6.18 0.00 -1.26 -0.62 105.19 115.66 3hsp n GLY 575 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.89 2.07 3.83 -0.02 0.00 -1.26 -3.02 105.19 105.89 3hsp n GLY 576 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 4.00 -0.24 0.99 1.43 0.21 -4.96 118.68 120.11 3hsp s LEU 577 Ca 0.00 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3hsp s LEU 577 Cb 0.00 -4.36 0.05 0.00 0.03 0.00 0.00 46.19 41.91 3hsp s LEU 577 CO 0.00 -0.30 -0.13 -1.61 0.23 0.00 0.00 176.35 174.54 3hsp s GLU 578 N -3.06 2.45 -0.56 1.70 2.02 -1.26 -2.02 118.70 117.96 3hsp s GLU 578 Ca 0.59 -1.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.22 3hsp s GLU 578 Cb -0.10 -2.81 0.14 0.00 0.10 0.00 0.00 34.13 31.46 3hsp s GLU 578 CO 0.15 -0.47 0.51 -0.06 0.02 0.00 0.00 175.26 175.40 3hsp s PHE 579 N 1.15 3.30 -0.54 1.61 0.08 -0.07 0.74 117.98 124.26 3hsp s PHE 579 Ca -0.05 -1.39 0.24 0.00 0.12 0.00 0.00 56.93 55.85 3hsp s PHE 579 Cb -0.18 -3.78 0.54 0.00 -0.57 0.00 0.00 43.02 39.04 3hsp s PHE 579 CO -0.07 -1.02 1.68 0.66 -0.10 0.00 0.00 175.22 176.37 3hsp h SER 580 N 8.77 0.00 -3.49 1.36 4.64 -1.80 -0.07 113.55 122.96 3hsp h SER 580 Ca -0.26 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.42 3hsp h SER 580 Cb 1.09 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.82 3hsp h SER 580 CO 1.00 0.00 -0.82 0.00 -0.87 0.00 0.00 176.83 176.15 3hsp s ALA 581 N -3.18 2.23 -0.42 5.18 0.00 -1.18 -4.63 121.76 119.76 3hsp s ALA 581 Ca 0.08 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.76 3hsp s ALA 581 Cb 0.08 -1.36 0.36 0.00 0.00 0.00 0.00 23.12 22.20 3hsp s ALA 581 CO 0.64 -0.85 1.11 0.00 0.00 0.00 0.00 175.76 176.65 3hsp n PRO 583 N 0.04 2.34 -4.08 0.00 -0.04 -1.16 -4.66 135.00 127.45 3hsp n PRO 583 Ca 0.07 0.83 -0.09 0.00 -0.04 0.00 0.00 63.50 64.26 3hsp n PRO 583 Cb 0.75 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 -1.15 0.56 -0.12 0.54 -0.12 -0.71 -1.02 117.98 115.96 3hsp s PHE 584 Ca 0.57 -0.83 -0.14 0.00 -0.05 0.00 0.00 56.93 56.48 3hsp s PHE 584 Cb -0.49 -0.37 0.04 0.00 -0.63 0.00 0.00 43.02 41.57 3hsp s PHE 584 CO 0.61 -0.25 0.39 -1.54 -0.05 0.00 0.00 175.22 174.38 3hsp s SER 585 N -2.43 -0.38 0.00 1.98 1.04 -0.55 -1.17 113.70 112.20 3hsp s SER 585 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3hsp s SER 585 Cb 0.01 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.85 3hsp s SER 585 CO -0.05 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3hsp n GLY 586 N 2.57 2.23 3.30 7.32 0.00 -1.20 -1.83 105.19 117.59 3hsp n GLY 586 Ca -0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 2.31 -0.01 0.39 1.61 -2.14 -1.26 -4.65 118.94 115.19 3hsp s TRP 587 Ca 0.00 -0.35 -0.25 0.00 2.66 0.00 0.00 56.10 58.16 3hsp s TRP 587 Cb 0.00 0.13 -0.09 0.00 -3.10 0.00 0.00 33.47 30.41 3hsp s TRP 587 CO 0.00 -0.67 1.13 0.71 -2.66 0.00 0.00 176.95 175.46 3hsp s TYR 588 N -3.85 3.15 0.02 1.66 2.02 -1.26 -4.90 117.35 114.20 3hsp s TYR 588 Ca 0.06 1.59 -0.17 0.00 -0.37 0.00 0.00 57.07 58.18 3hsp s TYR 588 Cb 0.03 -3.31 -0.06 0.00 -0.40 0.00 0.00 41.96 38.21 3hsp s TYR 588 CO -0.10 -1.08 0.48 1.41 -1.57 0.00 0.00 175.55 174.69 3hsp s MET 589 N -2.30 4.05 0.29 -0.62 -2.45 -1.26 -1.40 119.30 115.62 3hsp s MET 589 Ca 0.56 0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 55.54 3hsp s MET 589 Cb -0.28 -3.24 0.45 0.00 1.25 0.00 0.00 34.83 33.00 3hsp s MET 589 CO 0.36 0.65 1.87 0.78 1.05 0.00 0.00 175.02 179.72 3hsp h GLY 590 N 4.73 0.91 2.00 2.11 0.00 -1.32 -1.83 103.07 109.67 3hsp h GLY 590 Ca -0.50 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 3hsp h GLY 590 CO 0.63 0.45 -0.01 -0.91 0.00 0.00 0.00 176.54 176.70 3hsp h THR 591 N 0.83 0.45 -0.38 4.70 1.35 -1.94 -0.53 112.91 117.39 3hsp h THR 591 Ca 0.20 -0.03 0.04 0.00 -0.55 0.00 0.00 66.41 66.07 3hsp h THR 591 Cb 0.19 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 67.59 3hsp h THR 591 CO -0.02 0.01 0.15 -0.33 -0.25 0.00 0.00 175.52 175.08 3hsp h GLU 592 N 0.00 0.30 0.06 4.72 5.08 -1.74 -1.34 114.58 121.67 3hsp h GLU 592 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hsp h GLU 592 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3hsp h GLU 592 CO 0.00 0.20 -0.03 0.82 -1.00 0.00 0.00 179.01 179.00 3hsp h ILE 593 N 0.31 0.53 0.00 3.13 2.04 -1.58 -1.22 117.51 120.72 3hsp h ILE 593 Ca 0.17 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 3hsp h ILE 593 Cb 0.13 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3hsp h ILE 593 CO -0.16 0.17 -0.34 1.23 0.00 0.00 0.00 178.15 179.05 3hsp h GLY 594 N -1.00 0.00 0.00 5.37 0.00 -1.18 0.27 103.07 106.53 3hsp h GLY 594 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3hsp h GLY 594 CO 0.01 0.00 -1.23 -0.62 0.00 0.00 0.00 176.54 174.70 3hsp n VAL 595 N -3.48 1.49 -0.06 4.60 0.31 -0.54 -4.29 118.33 116.37 3hsp n VAL 595 Ca 0.00 0.04 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 3hsp n VAL 595 Cb 0.50 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 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 -0.57 5.55 2.47 -1.48 -1.70 114.38 117.66 3hsp h ARG 596 Ca -0.16 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 3hsp h ARG 596 Cb 1.05 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 3hsp h ARG 596 CO -0.10 0.26 0.14 -0.44 0.56 0.00 0.00 179.97 180.40 3hsp h ASP 597 N -1.00 0.86 0.28 7.04 3.32 -0.86 -2.53 116.42 123.53 3hsp h ASP 597 Ca -0.01 -0.23 -0.34 0.00 0.02 0.00 0.00 57.03 56.47 3hsp h ASP 597 Cb 0.33 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.66 3hsp h ASP 597 CO -0.01 0.86 -1.65 1.88 -1.72 0.00 0.00 179.24 178.60 3hsp h TYR 598 N 0.81 0.67 0.00 4.55 0.05 -0.65 -2.44 116.97 119.96 3hsp h TYR 598 Ca 0.18 -0.49 0.00 0.00 0.05 0.00 0.00 58.73 58.47 3hsp h TYR 598 Cb 0.34 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3hsp h TYR 598 CO 0.02 1.57 -0.63 0.00 -1.05 0.00 0.00 178.16 178.07 3hsp n ASP 600 N -1.33 2.49 -0.15 0.00 9.92 -0.96 -4.65 116.55 121.88 3hsp n ASP 600 Ca 0.01 1.17 0.08 0.00 -0.53 0.00 0.00 54.79 55.52 3hsp n ASP 600 Cb 0.18 -1.42 0.40 0.00 -0.64 0.00 0.00 41.12 39.64 3hsp n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3hsp h ASN 601 N 3.34 0.57 -0.11 -2.24 2.35 -1.92 -1.91 115.58 115.66 3hsp h ASN 601 Ca -0.45 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3hsp h ASN 601 Cb 1.29 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3hsp h ASN 601 CO 0.69 0.36 0.00 -1.54 -1.65 0.00 0.00 177.43 175.29 3hsp n SER 602 N -4.48 0.82 0.00 5.81 3.41 -1.26 -4.63 113.62 113.28 3hsp n SER 602 Ca 0.10 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 3hsp n SER 602 Cb 0.26 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.16 1.19 0.23 4.33 5.12 -0.74 -4.27 116.66 122.36 3hsp n ARG 603 Ca 0.11 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.14 3hsp n ARG 603 Cb 0.17 0.00 0.53 0.00 -1.16 0.00 0.00 32.46 31.99 3hsp n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3hsp h TYR 604 N 0.00 0.00 -5.97 -1.55 -1.99 -1.56 -3.42 116.97 102.49 3hsp h TYR 604 Ca 0.00 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.35 3hsp h TYR 604 Cb 0.00 0.00 0.09 0.00 2.00 0.00 0.00 36.73 38.82 3hsp h TYR 604 CO 0.00 0.19 -0.85 -1.71 -0.00 0.00 0.00 178.16 175.79 3hsp n ASN 605 N -3.39 -2.80 -0.60 3.88 5.15 0.69 -4.90 115.26 113.28 3hsp n ASN 605 Ca -0.00 -0.82 0.12 0.00 -0.60 0.00 0.00 54.58 53.29 3hsp n ASN 605 Cb 0.39 -4.23 0.41 0.00 -0.53 0.00 0.00 39.78 35.81 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 -4.08 0.11 -0.21 -1.44 -5.35 -0.54 -4.55 119.36 103.31 3hsp n ILE 606 Ca -0.23 -0.34 -0.04 0.00 -0.27 0.00 0.00 62.75 61.87 3hsp n ILE 606 Cb 0.65 0.58 0.07 0.00 -1.74 0.00 0.00 39.64 39.20 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 2.67 0.57 0.22 7.28 3.38 -1.87 -1.50 115.31 126.06 3hsp h LEU 607 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hsp h LEU 607 Cb 0.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hsp h LEU 607 CO 0.00 0.39 -0.11 -0.33 0.09 0.00 0.00 178.44 178.49 3hsp h GLU 608 N 0.70 -0.29 -1.00 1.13 5.08 -1.99 -0.70 114.58 117.52 3hsp h GLU 608 Ca 0.26 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.75 3hsp h GLU 608 Cb 0.07 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 3hsp h GLU 608 CO -0.13 -0.06 0.63 1.49 -1.00 0.00 0.00 179.01 179.94 3hsp h GLU 609 N -0.47 0.97 -0.40 2.33 4.81 -1.80 0.18 114.58 120.21 3hsp h GLU 609 Ca -0.03 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3hsp h GLU 609 Cb 0.35 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3hsp h GLU 609 CO 0.05 0.64 -0.07 0.28 -0.73 0.00 0.00 179.01 179.19 3hsp h VAL 610 N 1.00 1.27 -0.41 0.32 2.07 -1.19 -2.96 116.25 116.35 3hsp h VAL 610 Ca 0.49 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 3hsp h VAL 610 Cb 0.47 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3hsp h VAL 610 CO -0.25 0.38 -0.10 0.00 0.02 0.00 0.00 177.57 177.62 3hsp h ALA 611 N 0.85 1.05 0.06 1.67 0.00 0.58 -2.01 119.26 121.46 3hsp h ALA 611 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hsp h ALA 611 Cb 0.58 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hsp h ALA 611 CO 0.03 0.58 -0.05 0.87 0.00 0.00 0.00 179.25 180.69 3hsp h LYS 612 N 0.66 -0.11 0.00 0.00 1.57 -0.75 -1.33 116.57 116.61 3hsp h LYS 612 Ca 0.12 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hsp h LYS 612 Cb 0.55 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3hsp h LYS 612 CO 0.03 -0.07 0.00 0.87 -0.57 0.00 0.00 179.45 179.71 3hsp h LYS 613 N -0.11 0.00 -0.00 3.15 1.79 -1.41 -0.66 116.57 119.32 3hsp h LYS 613 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hsp h LYS 613 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3hsp h LYS 613 CO -0.00 0.00 -0.48 -1.33 -1.08 0.00 0.00 179.45 176.56 3hsp n MET 614 N -2.88 0.18 -3.61 3.15 2.81 -0.77 -4.98 117.12 111.04 3hsp n MET 614 Ca -0.01 -0.11 -0.28 0.00 -1.81 0.00 0.00 57.70 55.49 3hsp n MET 614 Cb 0.17 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.31 -5.61 -4.95 7.83 2.03 -0.26 -4.99 116.55 109.30 3hsp n ASP 615 Ca 0.07 -0.92 -0.23 0.00 0.52 0.00 0.00 54.79 54.22 3hsp n ASP 615 Cb 0.34 -3.56 -0.00 0.00 -0.72 0.00 0.00 41.12 37.18 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 -6.10 3.85 -0.58 -2.67 1.43 -1.07 -5.03 118.68 108.51 3hsp s LEU 616 Ca 0.41 0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.63 3hsp s LEU 616 Cb -0.14 -3.27 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3hsp s LEU 616 CO 0.85 -0.47 1.13 -0.62 0.23 0.00 0.00 176.35 177.47 3hsp s ASP 617 N -4.11 6.41 -0.05 2.29 -1.08 -1.26 -4.86 116.67 114.00 3hsp s ASP 617 Ca 0.44 -0.04 0.19 0.00 -0.52 0.00 0.00 52.55 52.62 3hsp s ASP 617 Cb -0.10 -2.52 0.65 0.00 -1.46 0.00 0.00 42.92 39.49 3hsp s ASP 617 CO 0.37 -1.43 1.55 0.23 0.52 0.00 0.00 175.17 176.41 3hsp n MET 618 N 8.21 3.19 0.07 4.34 2.81 -1.26 -4.30 117.12 130.19 3hsp n MET 618 Ca 0.06 -2.71 -0.15 0.00 -1.81 0.00 0.00 57.70 53.09 3hsp n MET 618 Cb 0.49 -1.69 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 3hsp n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hsp h ARG 619 N 3.92 0.43 -4.72 0.03 3.08 -2.04 -3.44 114.38 111.63 3hsp h ARG 619 Ca 0.00 -0.50 -0.60 0.00 0.07 0.00 0.00 59.98 58.94 3hsp h ARG 619 Cb 1.18 0.15 -0.35 0.00 0.08 0.00 0.00 29.97 31.03 3hsp h ARG 619 CO 0.11 1.16 -0.84 -1.59 -1.07 0.00 0.00 179.97 177.74 3hsp s LYS 620 N -3.16 2.33 0.51 0.04 -2.85 -1.26 -4.99 119.74 110.37 3hsp s LYS 620 Ca -0.06 -0.58 0.27 0.00 -1.00 0.00 0.00 55.97 54.60 3hsp s LYS 620 Cb 0.08 -2.08 1.38 0.00 -2.06 0.00 0.00 37.83 35.15 3hsp s LYS 620 CO 0.88 -0.19 1.93 1.79 0.10 0.00 0.00 175.35 179.86 3hsp h THR 621 N 6.02 0.65 0.00 3.79 1.35 -1.89 -0.05 112.91 122.77 3hsp h THR 621 Ca -0.37 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3hsp h THR 621 Cb 1.15 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3hsp h THR 621 CO 0.52 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.27 3hsp n SER 622 N -4.35 0.00 0.22 5.36 3.41 -1.26 0.24 113.62 117.23 3hsp n SER 622 Ca 0.15 0.12 0.14 0.00 -0.26 0.00 0.00 58.87 59.03 3hsp n SER 622 Cb 0.78 -0.26 0.40 0.00 -0.26 0.00 0.00 64.21 64.87 3hsp n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hsp h SER 623 N 0.00 0.00 -5.25 4.04 4.64 -1.27 -3.47 113.55 112.24 3hsp h SER 623 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3hsp h SER 623 Cb 0.07 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.28 3hsp h SER 623 CO 0.00 0.00 -0.60 0.18 -0.87 0.00 0.00 176.83 175.54 3hsp n LEU 624 N -2.90 -3.24 -0.15 5.97 4.77 0.14 -4.91 117.00 116.67 3hsp n LEU 624 Ca 0.03 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.44 3hsp n LEU 624 Cb 0.41 -2.73 -0.01 0.00 -2.33 0.00 0.00 43.42 38.77 3hsp n LEU 624 CO 0.30 0.58 0.86 4.11 -1.33 0.00 0.00 177.39 181.90 3hsp h TRP 625 N -2.38 0.73 -0.52 -1.77 5.08 -1.82 -1.38 115.95 113.89 3hsp h TRP 625 Ca -0.50 -0.09 0.10 0.00 1.08 0.00 0.00 58.89 59.48 3hsp h TRP 625 Cb 1.32 -0.20 -0.09 0.00 -3.00 0.00 0.00 29.16 27.19 3hsp h TRP 625 CO 0.44 0.69 -0.01 0.87 -1.28 0.00 0.00 178.44 179.16 3hsp h LYS 626 N 0.56 0.11 -0.20 0.12 1.57 -1.91 0.67 116.57 117.49 3hsp h LYS 626 Ca 0.13 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3hsp h LYS 626 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hsp h LYS 626 CO 0.00 0.07 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.31 3hsp h ASP 627 N 0.11 0.34 -0.12 0.86 5.19 -1.85 -0.12 116.42 120.82 3hsp h ASP 627 Ca 0.26 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.48 3hsp h ASP 627 Cb 0.40 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3hsp h ASP 627 CO -0.44 0.56 -0.31 -0.61 -3.12 0.00 0.00 179.24 175.33 3hsp h GLN 628 N 0.32 0.43 -0.62 3.56 4.15 -0.30 -2.56 115.11 120.08 3hsp h GLN 628 Ca 0.05 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.14 3hsp h GLN 628 Cb 0.55 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 3hsp h GLN 628 CO 0.04 0.91 0.24 0.00 -1.93 0.00 0.00 178.83 178.08 3hsp h ALA 629 N 0.52 1.24 -0.38 3.38 0.00 -0.76 -2.99 119.26 120.27 3hsp h ALA 629 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hsp h ALA 629 Cb 0.92 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3hsp h ALA 629 CO 0.07 0.55 0.22 1.25 0.00 0.00 0.00 179.25 181.34 3hsp h LEU 630 N 0.90 0.46 -0.95 0.00 5.85 -0.86 -2.04 115.31 118.68 3hsp h LEU 630 Ca 0.21 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3hsp h LEU 630 Cb 0.19 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hsp h LEU 630 CO -0.02 0.40 0.29 0.58 -0.34 0.00 0.00 178.44 179.34 3hsp h VAL 631 N 0.50 1.24 -0.04 1.05 2.07 -1.35 -2.39 116.25 117.32 3hsp h VAL 631 Ca 0.14 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 3hsp h VAL 631 Cb 0.02 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3hsp h VAL 631 CO -0.02 0.30 -0.56 -0.33 0.02 0.00 0.00 177.57 176.98 3hsp h GLU 632 N 1.02 0.13 -0.15 1.57 4.39 -1.29 -1.31 114.58 118.93 3hsp h GLU 632 Ca 0.24 -0.08 -0.20 0.00 0.34 0.00 0.00 59.36 59.66 3hsp h GLU 632 Cb 0.19 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hsp h GLU 632 CO -0.02 0.65 -0.71 0.82 -1.16 0.00 0.00 179.01 178.59 3hsp h ILE 633 N 0.10 1.31 -0.02 3.13 2.04 -1.12 -2.15 117.51 120.80 3hsp h ILE 633 Ca -0.00 -1.97 -0.13 0.00 1.00 0.00 0.00 64.86 63.76 3hsp h ILE 633 Cb 1.01 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 3hsp h ILE 633 CO 0.08 0.62 -0.60 0.78 0.00 0.00 0.00 178.15 179.02 3hsp h ASN 634 N 0.47 0.08 -0.76 1.72 2.35 -1.27 -2.09 115.58 116.08 3hsp h ASN 634 Ca -0.03 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3hsp h ASN 634 Cb 1.31 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.62 3hsp h ASN 634 CO 0.14 0.67 0.42 0.40 -1.65 0.00 0.00 177.43 177.41 3hsp h ILE 635 N 0.05 1.23 -0.53 2.81 2.04 -1.01 -2.72 117.51 119.38 3hsp h ILE 635 Ca -0.01 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 3hsp h ILE 635 Cb 1.08 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3hsp h ILE 635 CO 0.08 0.25 -0.15 0.00 0.00 0.00 0.00 178.15 178.33 3hsp h ALA 636 N 1.22 0.73 0.08 1.87 0.00 -1.05 0.48 119.26 122.58 3hsp h ALA 636 Ca 0.27 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hsp h ALA 636 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hsp h ALA 636 CO -0.04 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 180.13 3hsp h VAL 637 N 0.90 1.05 -0.50 0.00 2.07 -1.36 -0.64 116.25 117.77 3hsp h VAL 637 Ca 0.13 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3hsp h VAL 637 Cb 0.73 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3hsp h VAL 637 CO 0.06 0.11 0.26 -0.07 0.02 0.00 0.00 177.57 177.95 3hsp h LEU 638 N -0.31 0.64 -0.69 2.57 3.38 -1.40 -2.35 115.31 117.15 3hsp h LEU 638 Ca -0.01 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3hsp h LEU 638 Cb 0.27 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3hsp h LEU 638 CO 0.02 0.57 0.40 0.22 0.09 0.00 0.00 178.44 179.73 3hsp h TYR 639 N 0.66 0.73 -0.29 1.13 3.20 -0.86 -1.71 116.97 119.84 3hsp h TYR 639 Ca 0.17 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 3hsp h TYR 639 Cb 0.09 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 3hsp h TYR 639 CO -0.01 0.36 -0.40 0.77 -1.64 0.00 0.00 178.16 177.24 3hsp h SER 640 N 0.74 0.86 -0.10 -2.11 0.02 -0.92 -1.31 113.55 110.73 3hsp h SER 640 Ca 0.31 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3hsp h SER 640 Cb 0.17 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3hsp h SER 640 CO -0.17 1.20 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.42 3hsp h PHE 641 N 0.55 0.23 -0.62 3.45 -1.00 -1.39 -2.68 116.94 115.48 3hsp h PHE 641 Ca 0.03 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3hsp h PHE 641 Cb 1.00 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.47 3hsp h PHE 641 CO 0.07 0.53 0.33 1.96 -1.61 0.00 0.00 178.31 179.60 3hsp h GLN 642 N -0.14 0.86 0.00 1.51 4.20 -1.30 -0.25 115.11 119.98 3hsp h GLN 642 Ca 0.02 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3hsp h GLN 642 Cb 0.46 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3hsp h GLN 642 CO 0.01 0.64 -0.65 0.77 -0.67 0.00 0.00 178.83 178.93 3hsp h SER 643 N 0.86 0.00 -0.12 1.46 0.02 -1.20 -2.53 113.55 112.04 3hsp h SER 643 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3hsp h SER 643 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3hsp h SER 643 CO -0.03 0.65 0.00 0.47 -1.14 0.00 0.00 176.83 176.78 3hsp n ASP 644 N -3.75 2.14 -3.23 3.07 8.00 -0.99 -4.95 116.55 116.84 3hsp n ASP 644 Ca -0.01 -1.74 -0.21 0.00 0.71 0.00 0.00 54.79 53.55 3hsp n ASP 644 Cb 0.65 -0.07 0.07 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.65 -6.95 -3.75 -1.24 5.02 -0.44 -5.00 118.16 106.45 3hsp n LYS 645 Ca 0.17 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.85 3hsp n LYS 645 Cb 0.43 -5.50 -0.09 0.00 -0.02 0.00 0.00 35.03 29.85 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 -3.29 5.27 0.25 -0.18 1.01 -0.24 -4.23 120.40 119.00 3hsp s VAL 646 Ca 0.46 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 3hsp s VAL 646 Cb -0.20 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 32.62 3hsp s VAL 646 CO 0.65 0.41 1.31 0.41 0.00 0.00 0.00 175.10 177.88 3hsp n THR 647 N 3.78 1.18 -3.55 3.92 -1.04 -0.05 -4.31 114.28 114.22 3hsp n THR 647 Ca -0.16 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.05 61.40 3hsp n THR 647 Cb 0.52 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.63 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 -0.32 0.00 -0.01 12.58 2.07 -1.26 -4.41 121.20 129.85 3hsp s ILE 648 Ca 0.66 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.95 3hsp s ILE 648 Cb -0.67 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.90 3hsp s ILE 648 CO 0.53 0.00 -0.15 0.54 -1.91 0.00 0.00 174.94 173.94 3hsp s VAL 649 N -0.92 1.22 0.53 4.00 0.11 -0.49 -5.00 120.40 119.85 3hsp s VAL 649 Ca -0.07 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 3hsp s VAL 649 Cb -0.01 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3hsp s VAL 649 CO 0.06 0.35 0.89 1.51 -3.33 0.00 0.00 175.10 174.58 3hsp s ASP 650 N -0.35 6.27 0.52 3.54 1.47 -1.26 -0.85 116.67 126.01 3hsp s ASP 650 Ca 0.06 1.16 0.30 0.00 1.18 0.00 0.00 52.55 55.25 3hsp s ASP 650 Cb -0.06 -2.35 1.35 0.00 -0.34 0.00 0.00 42.92 41.52 3hsp s ASP 650 CO -0.01 -0.69 2.00 1.12 0.68 0.00 0.00 175.17 178.27 3hsp h HIS 651 N 0.08 0.00 0.27 2.11 2.07 -1.98 -1.47 115.15 116.22 3hsp h HIS 651 Ca -0.46 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 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 0.62 0.10 -0.13 0.45 -3.07 0.00 0.00 177.93 175.90 3hsp h HIS 652 N 0.00 -0.33 -0.32 6.12 3.86 -1.96 -2.36 115.15 120.16 3hsp h HIS 652 Ca -0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3hsp h HIS 652 Cb 0.49 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 3hsp h HIS 652 CO 0.00 -0.01 0.13 0.77 0.86 0.00 0.00 177.93 179.69 3hsp h SER 653 N -0.69 0.18 -0.48 2.45 0.02 -1.93 -1.26 113.55 111.85 3hsp h SER 653 Ca -0.04 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hsp h SER 653 Cb 0.48 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3hsp h SER 653 CO 0.06 0.14 0.27 0.00 -1.14 0.00 0.00 176.83 176.16 3hsp h ALA 654 N 1.18 0.61 -0.03 3.77 0.00 -1.35 -0.18 119.26 123.26 3hsp h ALA 654 Ca 0.14 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3hsp h ALA 654 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hsp h ALA 654 CO -0.12 -0.04 -0.89 1.79 0.00 0.00 0.00 179.25 179.99 3hsp h THR 655 N 0.54 1.38 -0.54 0.00 1.35 -1.28 -0.96 112.91 113.40 3hsp h THR 655 Ca 0.19 -2.33 -0.01 0.00 -0.55 0.00 0.00 66.41 63.71 3hsp h THR 655 Cb 0.04 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3hsp h THR 655 CO -0.10 0.70 0.28 -0.08 -0.25 0.00 0.00 175.52 176.07 3hsp h GLU 656 N 0.27 0.76 -0.76 4.72 4.81 -1.01 -1.84 114.58 121.52 3hsp h GLU 656 Ca -0.07 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3hsp h GLU 656 Cb 1.51 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3hsp h GLU 656 CO 0.16 0.60 0.30 0.77 -0.73 0.00 0.00 179.01 180.11 3hsp h SER 657 N 0.72 1.05 -0.53 1.04 0.02 -0.93 -2.73 113.55 112.20 3hsp h SER 657 Ca 0.19 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 3hsp h SER 657 Cb 0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3hsp h SER 657 CO -0.03 0.93 0.05 0.15 -1.14 0.00 0.00 176.83 176.79 3hsp h PHE 658 N 1.11 1.01 -0.46 3.45 3.57 -0.80 -0.03 116.94 124.79 3hsp h PHE 658 Ca 0.26 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3hsp h PHE 658 Cb 0.21 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3hsp h PHE 658 CO 0.02 0.88 0.17 0.82 -2.23 0.00 0.00 178.31 177.97 3hsp h ILE 659 N 0.88 1.21 -0.42 1.41 1.08 -1.15 0.36 117.51 120.87 3hsp h ILE 659 Ca 0.17 -0.69 0.06 0.00 -0.39 0.00 0.00 64.86 64.01 3hsp h ILE 659 Cb 0.45 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 3hsp h ILE 659 CO 0.02 0.25 0.12 0.11 -0.69 0.00 0.00 178.15 177.95 3hsp h LYS 660 N 0.60 0.25 -0.28 2.37 1.57 -1.29 -0.33 116.57 119.46 3hsp h LYS 660 Ca 0.15 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3hsp h LYS 660 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3hsp h LYS 660 CO -0.01 0.17 0.13 1.25 -0.57 0.00 0.00 179.45 180.42 3hsp h HIS 661 N 0.26 0.23 -0.25 -1.35 2.76 -0.52 -1.35 115.15 114.94 3hsp h HIS 661 Ca 0.20 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 3hsp h HIS 661 Cb 0.22 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3hsp h HIS 661 CO -0.18 0.12 0.13 1.98 -1.30 0.00 0.00 177.93 178.68 3hsp h MET 662 N 0.27 0.35 -0.85 5.26 1.85 0.03 0.29 114.93 122.14 3hsp h MET 662 Ca 0.12 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.18 3hsp h MET 662 Cb 0.06 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 3hsp h MET 662 CO -0.10 0.33 0.56 0.93 -0.40 0.00 0.00 176.91 178.23 3hsp h GLU 663 N 0.28 1.10 -0.73 0.39 5.08 -0.90 -1.21 114.58 118.59 3hsp h GLU 663 Ca 0.09 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3hsp h GLU 663 Cb 0.09 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3hsp h GLU 663 CO -0.01 0.73 0.26 -0.97 -1.00 0.00 0.00 179.01 178.02 3hsp h ASN 664 N 1.14 1.03 -0.04 1.42 -0.00 -0.80 -2.50 115.58 115.83 3hsp h ASN 664 Ca 0.32 -0.17 -0.10 0.00 -0.00 0.00 0.00 56.30 56.35 3hsp h ASN 664 Cb -0.11 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 37.93 3hsp h ASN 664 CO -0.08 0.94 -0.27 -0.33 -0.00 0.00 0.00 177.43 177.70 3hsp h GLU 665 N 1.08 0.48 -0.51 6.67 4.39 -0.38 -0.81 114.58 125.49 3hsp h GLU 665 Ca 0.24 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3hsp h GLU 665 Cb 0.26 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3hsp h GLU 665 CO -0.01 0.71 0.30 1.88 -1.16 0.00 0.00 179.01 180.72 3hsp h TYR 666 N 0.42 0.68 -0.14 4.33 -1.99 -0.97 0.30 116.97 119.59 3hsp h TYR 666 Ca 0.06 -0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.61 3hsp h TYR 666 Cb 0.69 -0.22 0.01 0.00 2.00 0.00 0.00 36.73 39.20 3hsp h TYR 666 CO 0.02 0.48 -0.62 0.00 -0.00 0.00 0.00 178.16 178.04 3hsp h ARG 667 N 0.68 0.67 0.00 4.88 3.08 -1.18 0.32 114.38 122.84 3hsp h ARG 667 Ca 0.18 -0.53 -0.32 0.00 0.07 0.00 0.00 59.98 59.38 3hsp h ARG 667 Cb -0.00 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3hsp h ARG 667 CO -0.03 1.15 -1.98 0.00 -1.07 0.00 0.00 179.97 178.04 3hsp n ARG 669 N -2.93 1.20 -0.68 0.00 0.63 0.97 -4.99 116.66 110.86 3hsp n ARG 669 Ca -0.23 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.62 3hsp n ARG 669 Cb 1.09 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.74 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 1.56 0.66 0.00 5.14 0.00 0.10 -4.61 105.19 108.05 3hsp n GLY 670 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.68 1.43 3.05 -0.02 0.00 -1.03 -0.55 105.19 105.39 3hsp n GLY 671 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 2.48 4.26 -0.10 0.00 0.04 -1.26 -4.65 135.00 135.76 3hsp s PRO 673 Ca 0.11 2.33 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 3hsp s PRO 673 Cb -0.10 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3hsp s PRO 673 CO -0.23 -0.43 0.31 0.00 0.04 0.00 0.00 177.00 176.69 3hsp s ALA 674 N -0.10 -0.76 -0.45 8.56 0.00 -0.25 -4.30 121.76 124.47 3hsp s ALA 674 Ca 0.59 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 3hsp s ALA 674 Cb -0.42 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.35 3hsp s ALA 674 CO 0.45 -0.16 0.31 0.34 0.00 0.00 0.00 175.76 176.69 3hsp s ASP 675 N -0.01 5.72 0.28 0.00 -1.08 0.80 -3.16 116.67 119.21 3hsp s ASP 675 Ca -0.02 -1.64 -0.03 0.00 -0.52 0.00 0.00 52.55 50.34 3hsp s ASP 675 Cb -0.03 -2.02 0.39 0.00 -1.46 0.00 0.00 42.92 39.80 3hsp s ASP 675 CO 0.01 -0.61 1.93 -0.25 0.52 0.00 0.00 175.17 176.76 3hsp h TRP 676 N 8.47 1.16 -0.67 -5.34 7.01 -1.91 0.13 115.95 124.79 3hsp h TRP 676 Ca -0.23 0.03 0.13 0.00 2.11 0.00 0.00 58.89 60.93 3hsp h TRP 676 Cb 1.08 -0.39 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 3hsp h TRP 676 CO 0.63 0.68 0.45 0.28 -2.79 0.00 0.00 178.44 177.69 3hsp h VAL 677 N 1.21 0.83 0.03 2.65 2.07 -1.93 -2.05 116.25 119.06 3hsp h VAL 677 Ca 0.37 -0.13 -0.36 0.00 0.82 0.00 0.00 66.70 67.39 3hsp h VAL 677 Cb -0.02 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 3hsp h VAL 677 CO -0.11 0.07 -2.22 0.79 0.02 0.00 0.00 177.57 176.12 3hsp n TRP 678 N -4.47 0.48 -0.13 1.57 7.02 -0.19 -4.50 117.44 117.23 3hsp n TRP 678 Ca 0.12 0.12 -0.11 0.00 -1.02 0.00 0.00 57.50 56.61 3hsp n TRP 678 Cb 0.47 -1.07 -0.02 0.00 -2.42 0.00 0.00 31.31 28.27 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 0.02 1.28 -2.87 -0.99 1.08 -0.64 -3.43 117.51 111.96 3hsp h ILE 679 Ca -0.49 -1.22 -0.53 0.00 -0.39 0.00 0.00 64.86 62.23 3hsp h ILE 679 Cb 2.03 1.29 0.03 0.00 -3.07 0.00 0.00 36.82 37.11 3hsp h ILE 679 CO 0.01 0.41 0.84 -0.69 -0.69 0.00 0.00 178.15 178.02 3hsp s VAL 680 N -4.72 2.88 0.82 1.67 1.01 -0.79 -4.94 120.40 116.33 3hsp s VAL 680 Ca -0.13 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3hsp s VAL 680 Cb 0.10 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 33.17 3hsp s VAL 680 CO 0.82 0.04 1.09 -2.84 0.00 0.00 0.00 175.10 174.21 3hsp s PRO 681 N 1.25 1.91 0.00 2.72 0.02 -1.26 -4.93 135.00 134.70 3hsp s PRO 681 Ca 0.68 0.86 0.12 0.00 0.02 0.00 0.00 61.00 62.68 3hsp s PRO 681 Cb -0.41 -1.88 0.38 0.00 0.02 0.00 0.00 34.50 32.61 3hsp s PRO 681 CO 0.31 -1.80 1.30 -0.35 -0.33 0.00 0.00 177.00 176.13 3hsp n PRO 682 N -3.59 1.73 -4.01 5.54 -0.04 -1.26 -4.29 135.00 129.09 3hsp n PRO 682 Ca 0.07 -1.14 -0.09 0.00 -0.04 0.00 0.00 63.50 62.31 3hsp n PRO 682 Cb 0.55 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.61 0.40 -1.40 0.54 0.23 -1.26 -4.93 119.30 111.26 3hsp s MET 683 Ca 0.24 -0.75 -0.00 0.00 -1.03 0.00 0.00 55.69 54.14 3hsp s MET 683 Cb 0.12 0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.51 3hsp s MET 683 CO 0.17 -0.05 0.03 0.43 -2.03 0.00 0.00 175.02 173.57 3hsp n SER 684 N 1.27 -4.86 -0.38 -1.18 7.64 -1.26 -4.87 113.62 109.98 3hsp n SER 684 Ca -0.22 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.64 3hsp n SER 684 Cb 0.56 -4.07 -0.09 0.00 -1.01 0.00 0.00 64.21 59.60 3hsp n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hsp h GLY 685 N -0.06 -0.77 1.87 0.23 0.00 -1.92 -2.25 103.07 100.17 3hsp h GLY 685 Ca -0.39 0.76 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3hsp h GLY 685 CO 0.46 0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 3hsp n SER 686 N -5.29 0.00 -0.55 0.19 3.41 -1.26 -2.15 113.62 107.98 3hsp n SER 686 Ca 0.02 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 3hsp n SER 686 Cb 0.28 -0.44 0.44 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.44 0.10 -3.92 -1.33 -5.35 -0.85 -4.79 119.36 101.79 3hsp n ILE 687 Ca 0.06 -0.31 -0.34 0.00 -0.27 0.00 0.00 62.75 61.89 3hsp n ILE 687 Cb 0.20 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 38.55 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 -1.90 5.40 0.24 7.28 -4.23 -0.91 -5.01 115.64 116.50 3hsp s THR 688 Ca 0.35 -0.14 0.35 0.00 -1.18 0.00 0.00 61.69 61.07 3hsp s THR 688 Cb 0.20 -3.50 0.39 0.00 1.34 0.00 0.00 72.50 70.92 3hsp s THR 688 CO 0.30 0.36 2.06 1.55 -0.54 0.00 0.00 174.62 178.35 3hsp h PRO 689 N 3.95 0.00 -0.24 3.99 0.13 -1.86 -3.08 132.00 134.88 3hsp h PRO 689 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3hsp h PRO 689 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3hsp h PRO 689 CO 0.67 0.03 -0.19 -0.39 -0.23 0.00 0.00 178.00 177.89 3hsp h VAL 690 N 0.00 1.24 -1.01 1.56 -1.51 -1.87 -2.78 116.25 111.88 3hsp h VAL 690 Ca -0.00 -1.11 0.18 0.00 -1.23 0.00 0.00 66.70 64.54 3hsp h VAL 690 Cb 0.41 1.27 -0.10 0.00 -2.13 0.00 0.00 31.29 30.74 3hsp h VAL 690 CO 0.00 0.35 0.62 0.15 -1.23 0.00 0.00 177.57 177.46 3hsp h PHE 691 N 0.39 1.09 -0.01 5.19 3.57 -1.72 -1.52 116.94 123.93 3hsp h PHE 691 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3hsp h PHE 691 Cb 0.56 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3hsp h PHE 691 CO 0.02 0.26 -0.06 0.72 -2.23 0.00 0.00 178.31 177.02 3hsp n HIS 692 N -4.75 0.00 -3.68 0.41 8.25 -1.05 -4.83 115.22 109.57 3hsp n HIS 692 Ca 0.23 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.32 3hsp n HIS 692 Cb 0.55 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 3hsp n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3hsp s GLN 693 N -2.16 3.93 0.37 -0.41 2.00 -0.57 -0.82 119.66 122.00 3hsp s GLN 693 Ca 0.36 -0.34 -0.27 0.00 -2.00 0.00 0.00 55.36 53.12 3hsp s GLN 693 Cb 0.21 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.41 3hsp s GLN 693 CO 0.39 -0.07 1.19 -1.21 -0.50 0.00 0.00 175.29 175.09 3hsp s GLU 694 N 1.40 4.20 0.01 1.67 2.02 -0.48 -5.00 118.70 122.53 3hsp s GLU 694 Ca 0.07 1.91 0.01 0.00 0.02 0.00 0.00 54.97 56.98 3hsp s GLU 694 Cb -0.15 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 3hsp s GLU 694 CO 0.07 -0.21 -0.05 -1.64 0.02 0.00 0.00 175.26 173.45 3hsp s MET 695 N -2.07 0.37 -0.17 1.61 -1.94 -1.26 -4.62 119.30 111.22 3hsp s MET 695 Ca 0.53 -0.37 -0.03 0.00 -1.71 0.00 0.00 55.69 54.11 3hsp s MET 695 Cb -0.33 -0.25 -0.02 0.00 2.01 0.00 0.00 34.83 36.25 3hsp s MET 695 CO 0.42 0.06 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.93 3hsp s LEU 696 N -0.68 3.08 -0.20 -0.03 1.43 -1.26 -4.92 118.68 116.11 3hsp s LEU 696 Ca -0.04 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3hsp s LEU 696 Cb -0.05 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3hsp s LEU 696 CO -0.00 0.12 0.03 0.21 0.23 0.00 0.00 176.35 176.94 3hsp s ASN 697 N 0.65 5.16 0.21 2.29 2.47 -1.19 -1.09 114.94 123.44 3hsp s ASN 697 Ca -0.03 -0.11 -0.20 0.00 0.42 0.00 0.00 52.86 52.94 3hsp s ASN 697 Cb -0.15 -1.89 0.04 0.00 -1.45 0.00 0.00 41.25 37.80 3hsp s ASN 697 CO 0.02 0.08 0.61 -0.72 -3.72 0.00 0.00 177.10 173.37 3hsp s TYR 698 N 0.89 -0.26 -0.31 0.43 -0.85 -1.26 -4.96 117.35 111.03 3hsp s TYR 698 Ca 0.02 -0.07 -0.11 0.00 -0.52 0.00 0.00 57.07 56.39 3hsp s TYR 698 Cb -0.14 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.72 3hsp s TYR 698 CO 0.02 -0.99 0.18 0.50 -1.52 0.00 0.00 175.55 173.74 3hsp s ARG 699 N -3.85 3.44 0.09 -3.49 3.52 -1.26 -4.80 118.95 112.60 3hsp s ARG 699 Ca 0.07 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 3hsp s ARG 699 Cb -0.02 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3hsp s ARG 699 CO -0.03 -0.40 0.12 -0.51 -0.81 0.00 0.00 175.30 173.67 3hsp s LEU 700 N 1.66 3.92 0.15 -0.88 1.43 -1.26 -1.79 118.68 121.90 3hsp s LEU 700 Ca 0.05 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3hsp s LEU 700 Cb -0.17 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 3hsp s LEU 700 CO 0.08 0.15 0.12 0.42 0.23 0.00 0.00 176.35 177.35 3hsp s THR 701 N -1.48 4.48 0.76 5.49 -4.23 -1.26 -4.25 115.64 115.14 3hsp s THR 701 Ca 0.31 -1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 59.65 3hsp s THR 701 Cb -0.12 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.49 3hsp s THR 701 CO 0.24 -0.06 1.01 -2.65 -0.54 0.00 0.00 174.62 172.61 3hsp n PRO 702 N -0.17 0.38 -3.75 3.99 -0.02 -1.26 -5.00 135.00 129.17 3hsp n PRO 702 Ca -0.08 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3hsp n PRO 702 Cb 0.54 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.80 -0.08 -0.05 2.55 1.04 -0.62 -3.85 113.70 110.90 3hsp s SER 703 Ca 0.72 -0.39 -0.18 0.00 0.48 0.00 0.00 55.95 56.59 3hsp s SER 703 Cb -0.32 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 3hsp s SER 703 CO 0.51 -0.74 0.48 -0.36 0.98 0.00 0.00 173.24 174.12 3hsp s PHE 704 N -3.43 3.63 0.13 5.02 0.08 -1.26 -0.34 117.98 121.82 3hsp s PHE 704 Ca 0.01 1.00 0.07 0.00 0.12 0.00 0.00 56.93 58.14 3hsp s PHE 704 Cb 0.02 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3hsp s PHE 704 CO -0.09 0.38 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.03 3hsp s GLU 705 N -0.18 1.14 0.65 0.44 0.41 0.94 -4.92 118.70 117.17 3hsp s GLU 705 Ca 0.26 -1.27 -0.15 0.00 -0.41 0.00 0.00 54.97 53.40 3hsp s GLU 705 Cb -0.16 -1.19 -0.01 0.00 -1.78 0.00 0.00 34.13 30.98 3hsp s GLU 705 CO 0.13 0.25 1.09 0.71 -0.49 0.00 0.00 175.26 176.95 3hsp s TYR 706 N -1.80 2.74 0.03 1.61 2.02 -1.26 -0.83 117.35 119.86 3hsp s TYR 706 Ca 0.10 1.53 -0.05 0.00 -0.37 0.00 0.00 57.07 58.29 3hsp s TYR 706 Cb -0.07 -3.11 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 3hsp s TYR 706 CO 0.05 -1.51 0.09 1.14 -1.57 0.00 0.00 175.55 173.74 3hsp s GLN 707 N -4.16 0.53 0.74 -0.62 -2.07 -1.26 -4.74 119.66 108.09 3hsp s GLN 707 Ca 0.65 -0.67 -0.14 0.00 -1.82 0.00 0.00 55.36 53.39 3hsp s GLN 707 Cb -0.19 0.21 0.05 0.00 -1.09 0.00 0.00 33.01 31.99 3hsp s GLN 707 CO 0.41 -0.13 1.18 -1.25 -1.32 0.00 0.00 175.29 174.18 3hsp s PRO 708 N -2.23 2.11 0.29 9.60 0.05 -1.26 -4.94 135.00 138.62 3hsp s PRO 708 Ca -0.08 1.65 -0.30 0.00 0.05 0.00 0.00 61.00 62.33 3hsp s PRO 708 Cb -0.03 -1.84 -0.10 0.00 0.05 0.00 0.00 34.50 32.57 3hsp s PRO 708 CO -0.03 -1.83 1.45 -0.51 0.05 0.00 0.00 177.00 176.13 3hsp s ASP 709 N -2.25 6.58 0.52 6.66 1.01 -1.26 -4.90 116.67 123.03 3hsp s ASP 709 Ca 0.72 2.77 0.30 0.00 0.71 0.00 0.00 52.55 57.05 3hsp s ASP 709 Cb -0.27 -2.64 1.10 0.00 1.01 0.00 0.00 42.92 42.13 3hsp s ASP 709 CO 0.47 -0.74 1.89 1.55 0.21 0.00 0.00 175.17 178.55 3hsp h PRO 710 N 4.48 0.00 0.00 8.23 0.13 -1.92 -1.39 132.00 141.53 3hsp h PRO 710 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hsp h PRO 710 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hsp h PRO 710 CO 0.74 0.02 -0.02 0.11 -0.23 0.00 0.00 178.00 178.62 3hsp h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.28 115.95 115.93 3hsp h TRP 711 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 3hsp h TRP 711 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.88 3hsp h TRP 711 CO 0.00 0.02 -0.31 -0.91 0.09 0.00 0.00 178.44 177.33 3hsp h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.62 -3.37 115.58 113.04 3hsp h ASN 712 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hsp h ASN 712 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3hsp h ASN 712 CO 0.00 0.04 -1.20 0.35 -1.65 0.00 0.00 177.43 174.97 3hsp n THR 713 N -3.00 0.03 -1.99 2.81 -2.24 -0.75 -5.05 114.28 104.08 3hsp n THR 713 Ca 0.03 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 3hsp n THR 713 Cb 0.55 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 3hsp n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hsp s HIS 714 N -2.28 3.02 -0.54 4.78 5.04 0.91 -4.97 115.29 121.25 3hsp s HIS 714 Ca -0.02 0.95 -0.20 0.00 -1.54 0.00 0.00 55.06 54.25 3hsp s HIS 714 Cb 0.03 -3.84 0.06 0.00 0.04 0.00 0.00 32.58 28.87 3hsp s HIS 714 CO 0.18 -2.81 0.72 0.08 -2.34 0.00 0.00 174.74 170.57 3hsp s VAL 715 N 0.21 4.73 0.06 0.89 1.01 -1.26 -5.01 120.40 121.03 3hsp s VAL 715 Ca 0.61 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3hsp s VAL 715 Cb -0.42 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.49 3hsp s VAL 715 CO 0.41 -0.96 1.36 0.26 0.00 0.00 0.00 175.10 176.17 3hsp s TRP 716 N 3.00 3.10 0.03 5.22 0.52 -1.26 -4.91 118.94 124.63 3hsp s TRP 716 Ca 0.18 0.95 -0.11 0.00 0.02 0.00 0.00 56.10 57.13 3hsp s TRP 716 Cb -0.18 -3.63 -0.33 0.00 -1.15 0.00 0.00 33.47 28.18 3hsp s TRP 716 CO 0.12 -2.24 0.97 0.87 0.02 0.00 0.00 176.95 176.69 3hsp h LYS 717 N 7.26 0.43 0.00 4.98 1.79 -1.96 -3.51 116.57 125.56 3hsp h LYS 717 Ca -0.40 -0.74 0.00 0.00 -2.18 0.00 0.00 60.65 57.33 3hsp h LYS 717 Cb 1.20 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 3hsp h LYS 717 CO 0.87 1.34 0.00 0.41 -1.08 0.00 0.00 179.45 181.00