#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwu s PHE 300 N 0.00 3.07 -0.07 -1.55 0.40 -1.26 -4.80 117.98 113.77 3jwu s PHE 300 Ca 0.00 -0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 3jwu s PHE 300 Cb 0.00 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.68 3jwu s PHE 300 CO 0.00 0.25 -0.19 -0.51 0.70 0.00 0.00 175.22 175.47 3jwu s LEU 301 N -0.37 1.92 -0.06 -0.37 1.43 -0.91 -4.94 118.68 115.38 3jwu s LEU 301 Ca 0.06 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3jwu s LEU 301 Cb -0.12 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 3jwu s LEU 301 CO 0.02 0.13 0.20 -0.54 0.23 0.00 0.00 176.35 176.39 3jwu s LYS 302 N 0.31 3.52 -0.03 1.70 1.02 -1.26 0.73 119.74 125.72 3jwu s LYS 302 Ca -0.12 -0.10 0.05 0.00 0.02 0.00 0.00 55.97 55.82 3jwu s LYS 302 Cb -0.15 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 3jwu s LYS 302 CO 0.05 0.73 -0.18 0.14 -0.92 0.00 0.00 175.35 175.17 3jwu s VAL 303 N -1.14 1.49 -0.02 3.17 -7.23 -0.22 -4.97 120.40 111.49 3jwu s VAL 303 Ca 0.20 -0.78 0.05 0.00 -1.81 0.00 0.00 61.98 59.65 3jwu s VAL 303 Cb -0.13 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 3jwu s VAL 303 CO 0.10 0.42 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.40 3jwu s LYS 304 N -0.22 2.34 -0.26 4.82 2.20 -1.26 -0.47 119.74 126.88 3jwu s LYS 304 Ca 0.02 -0.81 -0.18 0.00 -0.36 0.00 0.00 55.97 54.64 3jwu s LYS 304 Cb -0.09 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 3jwu s LYS 304 CO 0.01 0.59 0.51 1.21 -0.36 0.00 0.00 175.35 177.31 3jwu s ASN 305 N -0.98 6.42 0.00 1.43 3.84 -0.17 -1.66 114.94 123.83 3jwu s ASN 305 Ca 0.13 0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.97 3jwu s ASN 305 Cb -0.11 -2.28 1.31 0.00 -0.55 0.00 0.00 41.25 39.62 3jwu s ASN 305 CO 0.02 -0.29 1.92 0.79 -2.79 0.00 0.00 177.10 176.75 3jwu n TRP 306 N 5.54 0.00 -0.09 0.43 7.02 0.06 0.30 117.44 130.70 3jwu n TRP 306 Ca -0.04 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.28 3jwu n TRP 306 Cb 0.50 -0.37 -0.13 0.00 -2.42 0.00 0.00 31.31 28.89 3jwu n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jwu n GLU 307 N -1.37 0.68 0.00 -0.99 2.13 -1.26 -4.57 120.64 115.26 3jwu n GLU 307 Ca 0.11 0.15 0.05 0.00 0.66 0.00 0.00 57.16 58.12 3jwu n GLU 307 Cb 0.26 -1.58 -0.05 0.00 0.27 0.00 0.00 31.44 30.34 3jwu n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jwu n THR 308 N -3.17 0.00 -0.85 6.31 -2.24 -1.19 -5.00 114.28 108.13 3jwu n THR 308 Ca -0.38 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3jwu n THR 308 Cb 1.04 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 3jwu n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jwu n ASP 309 N -1.12 -3.32 -4.70 3.42 10.43 0.15 -4.97 116.55 116.44 3jwu n ASP 309 Ca 0.02 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.96 3jwu n ASP 309 Cb 0.17 -2.52 -0.03 0.00 1.84 0.00 0.00 41.12 40.58 3jwu n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jwu s VAL 310 N -1.38 2.80 -0.12 2.53 1.01 -1.24 -4.76 120.40 119.25 3jwu s VAL 310 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3jwu s VAL 310 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3jwu s VAL 310 CO 0.00 0.01 -0.12 -0.69 0.00 0.00 0.00 175.10 174.30 3jwu s VAL 311 N 2.21 3.14 0.20 2.92 1.01 -1.26 -1.00 120.40 127.62 3jwu s VAL 311 Ca 0.74 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.19 3jwu s VAL 311 Cb -0.42 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3jwu s VAL 311 CO 0.33 0.53 -0.22 -0.76 0.00 0.00 0.00 175.10 174.98 3jwu s LEU 312 N 0.19 2.52 -0.14 3.92 1.43 0.38 -4.96 118.68 122.01 3jwu s LEU 312 Ca -0.07 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 3jwu s LEU 312 Cb -0.15 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3jwu s LEU 312 CO 0.05 0.11 -0.21 -0.89 0.23 0.00 0.00 176.35 175.64 3jwu s THR 313 N -1.75 2.02 -0.24 5.49 2.01 -1.26 -1.05 115.64 120.86 3jwu s THR 313 Ca 0.22 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 3jwu s THR 313 Cb -0.08 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 3jwu s THR 313 CO 0.11 0.54 0.15 -0.62 -0.69 0.00 0.00 174.62 174.11 3jwu s ASP 314 N 0.89 6.02 -0.01 3.53 -1.08 0.22 -4.67 116.67 121.59 3jwu s ASP 314 Ca -0.05 0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 3jwu s ASP 314 Cb -0.15 -2.09 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 3jwu s ASP 314 CO -0.04 0.05 0.05 0.35 0.52 0.00 0.00 175.17 176.11 3jwu n THR 315 N 4.37 0.02 0.22 1.71 -2.24 0.67 -2.14 114.28 116.88 3jwu n THR 315 Ca -0.15 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.66 3jwu n THR 315 Cb 0.52 0.30 0.64 0.00 -2.10 0.00 0.00 70.33 69.69 3jwu n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jwu h LEU 316 N 0.00 0.02 -2.73 3.22 5.85 -1.47 -2.14 115.31 118.07 3jwu h LEU 316 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3jwu h LEU 316 Cb 0.22 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3jwu h LEU 316 CO 0.00 0.02 -0.01 1.12 -0.34 0.00 0.00 178.44 179.23 3jwu h HIS 317 N 0.03 0.00 -0.13 1.25 2.07 -1.85 -1.27 115.15 115.25 3jwu h HIS 317 Ca 0.04 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 3jwu h HIS 317 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.09 3jwu h HIS 317 CO -0.00 0.01 -0.07 -0.07 -3.07 0.00 0.00 177.93 174.72 3jwu h LEU 318 N 0.00 0.18 -1.49 6.12 3.38 -1.72 -2.19 115.31 119.58 3jwu h LEU 318 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3jwu h LEU 318 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3jwu h LEU 318 CO 0.00 0.29 0.00 0.11 0.09 0.00 0.00 178.44 178.93 3jwu h LYS 319 N 0.19 0.00 -6.55 1.13 1.79 -1.43 -3.45 116.57 108.25 3jwu h LYS 319 Ca 0.04 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.99 3jwu h LYS 319 Cb 0.26 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3jwu h LYS 319 CO 0.01 0.00 0.91 0.45 -1.08 0.00 0.00 179.45 179.75 3jwu s SER 320 N -5.62 6.60 -0.23 0.86 0.15 -0.83 -4.92 113.70 109.72 3jwu s SER 320 Ca 0.01 2.56 -0.02 0.00 0.70 0.00 0.00 55.95 59.20 3jwu s SER 320 Cb 0.09 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.68 3jwu s SER 320 CO 0.53 -0.84 -0.23 0.35 1.20 0.00 0.00 173.24 174.25 3jwu n THR 321 N 4.22 1.31 -1.48 6.45 -2.24 -1.26 -5.05 114.28 116.24 3jwu n THR 321 Ca 0.14 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 3jwu n THR 321 Cb 0.39 -1.45 0.09 0.00 -2.10 0.00 0.00 70.33 67.27 3jwu n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jwu s LEU 322 N -6.59 2.67 0.13 3.22 1.43 -1.26 -5.06 118.68 113.22 3jwu s LEU 322 Ca -0.32 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3jwu s LEU 322 Cb 0.09 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3jwu s LEU 322 CO 0.50 -1.99 0.25 -1.61 0.23 0.00 0.00 176.35 173.73 3jwu s GLU 323 N -5.08 3.37 -0.13 1.70 2.02 -1.26 -4.64 118.70 114.68 3jwu s GLU 323 Ca 0.61 -0.60 0.14 0.00 0.02 0.00 0.00 54.97 55.14 3jwu s GLU 323 Cb -0.15 -2.94 -0.24 0.00 0.10 0.00 0.00 34.13 30.90 3jwu s GLU 323 CO 0.55 0.53 0.33 0.25 0.02 0.00 0.00 175.26 176.94 3jwu n THR 324 N -0.35 1.50 0.00 3.63 -2.24 -1.26 -4.92 114.28 110.64 3jwu n THR 324 Ca -0.07 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3jwu n THR 324 Cb 0.53 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3jwu n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jwu n GLY 325 N 1.69 2.08 3.87 3.38 0.00 -1.26 -4.80 105.19 110.15 3jwu n GLY 325 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3jwu n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwu s THR 327 N -3.17 0.43 0.48 0.00 -4.23 -0.04 -4.98 115.64 104.13 3jwu s THR 327 Ca 0.55 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.39 3jwu s THR 327 Cb -0.11 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.61 3jwu s THR 327 CO 0.54 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 176.28 3jwu h GLU 328 N 2.01 0.00 0.00 3.99 3.07 -2.05 -2.67 114.58 118.92 3jwu h GLU 328 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3jwu h GLU 328 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3jwu h GLU 328 CO 0.52 0.00 -0.34 0.72 -1.40 0.00 0.00 179.01 178.51 3jwu n HIS 329 N -2.79 0.00 -3.83 4.33 8.25 -1.26 -5.03 115.22 114.89 3jwu n HIS 329 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 3jwu n HIS 329 Cb 0.21 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.18 3jwu n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jwu s ILE 330 N -1.54 0.01 -0.18 1.59 2.07 -1.01 -5.14 121.20 117.01 3jwu s ILE 330 Ca 0.01 -0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3jwu s ILE 330 Cb 0.03 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 3jwu s ILE 330 CO 0.18 -0.06 -0.05 0.00 -1.91 0.00 0.00 174.94 173.11 3jwu n MET 332 N 4.04 2.50 0.34 0.00 0.00 -1.26 -4.73 117.12 118.00 3jwu n MET 332 Ca -0.18 -3.01 0.22 0.00 0.00 0.00 0.00 57.70 54.74 3jwu n MET 332 Cb 0.52 -1.88 1.18 0.00 0.00 0.00 0.00 33.22 33.04 3jwu n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jwu h GLY 333 N 1.49 0.00 -1.68 3.03 0.00 -1.94 -1.17 103.07 102.80 3jwu h GLY 333 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3jwu h GLY 333 CO 0.37 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.77 3jwu n SER 334 N -3.05 3.08 -4.71 0.19 3.41 -1.26 -4.84 113.62 106.43 3jwu n SER 334 Ca -0.03 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 3jwu n SER 334 Cb 0.10 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3jwu n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jwu s ILE 335 N -1.08 4.25 0.18 -1.33 -1.09 -0.45 -4.95 121.20 116.74 3jwu s ILE 335 Ca 0.29 1.64 -0.10 0.00 -2.23 0.00 0.00 60.65 60.25 3jwu s ILE 335 Cb 0.16 -4.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.08 3jwu s ILE 335 CO 0.22 0.14 1.70 0.24 -1.23 0.00 0.00 174.94 176.00 3jwu h MET 336 N 6.68 1.03 -2.79 2.79 2.86 -1.92 -3.36 114.93 120.22 3jwu h MET 336 Ca -0.42 -0.25 -0.60 0.00 -2.06 0.00 0.00 59.70 56.37 3jwu h MET 336 Cb 1.22 -0.14 -0.40 0.00 0.06 0.00 0.00 31.60 32.34 3jwu h MET 336 CO 0.79 0.93 -0.78 -0.51 1.06 0.00 0.00 176.91 178.40 3jwu s LEU 337 N -9.57 2.66 0.56 1.22 1.43 -1.26 -5.16 118.68 108.57 3jwu s LEU 337 Ca -0.12 -3.01 0.34 0.00 -1.03 0.00 0.00 54.13 50.31 3jwu s LEU 337 Cb 0.14 -0.94 1.62 0.00 0.03 0.00 0.00 46.19 47.03 3jwu s LEU 337 CO 0.83 -0.20 2.09 -0.65 0.23 0.00 0.00 176.35 178.65 3jwu h PRO 338 N 6.12 0.00 -0.00 1.29 0.11 -1.87 -3.53 132.00 134.11 3jwu h PRO 338 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3jwu h PRO 338 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3jwu h PRO 338 CO 0.49 0.05 0.00 1.55 -0.21 0.00 0.00 178.00 179.88 3jwu n VAL 348 N -3.25 0.00 -3.35 3.15 3.14 -1.26 -4.90 118.33 111.85 3jwu n VAL 348 Ca -0.01 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.99 3jwu n VAL 348 Cb 0.24 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.96 3jwu n VAL 348 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3jwu s ALA 349 N 0.00 3.63 0.32 1.55 0.00 -1.26 -5.10 121.76 120.90 3jwu s ALA 349 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.94 3jwu s ALA 349 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3jwu s ALA 349 CO 0.00 0.43 0.48 0.99 0.00 0.00 0.00 175.76 177.66 3jwu s THR 350 N -1.09 4.84 0.27 0.00 2.01 -1.26 -4.93 115.64 115.48 3jwu s THR 350 Ca 0.27 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 3jwu s THR 350 Cb -0.19 -3.73 0.30 0.00 0.01 0.00 0.00 72.50 68.89 3jwu s THR 350 CO 0.17 -0.38 1.65 0.11 -0.69 0.00 0.00 174.62 175.48 3jwu h LYS 351 N 0.88 0.18 -0.30 4.92 1.57 -1.93 -0.12 116.57 121.77 3jwu h LYS 351 Ca -0.49 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.30 3jwu h LYS 351 Cb 1.23 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3jwu h LYS 351 CO 0.59 0.12 -0.18 -3.47 -0.57 0.00 0.00 179.45 175.94 3jwu n ASP 352 N -5.26 -0.32 0.10 0.86 2.03 -1.26 -1.94 116.55 110.77 3jwu n ASP 352 Ca 0.19 0.79 0.06 0.00 0.52 0.00 0.00 54.79 56.35 3jwu n ASP 352 Cb 0.62 -0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 3jwu n ASP 352 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3jwu h GLN 353 N 0.00 0.00 0.05 -0.67 -0.00 -1.68 -3.41 115.11 109.39 3jwu h GLN 353 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 3jwu h GLN 353 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3jwu h GLN 353 CO -0.28 0.18 -0.02 1.25 -0.00 0.00 0.00 178.83 179.96 3jwu h LEU 354 N 0.00 -0.05 -0.77 0.06 5.85 -0.37 -3.23 115.31 116.79 3jwu h LEU 354 Ca -0.06 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3jwu h LEU 354 Cb 1.27 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3jwu h LEU 354 CO 0.03 0.33 0.48 0.15 -0.34 0.00 0.00 178.44 179.08 3jwu h PHE 355 N -0.45 0.89 -0.30 1.25 3.57 -1.77 0.27 116.94 120.39 3jwu h PHE 355 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3jwu h PHE 355 Cb 0.40 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3jwu h PHE 355 CO 0.05 0.48 -0.03 -1.00 -2.23 0.00 0.00 178.31 175.58 3jwu h PRO 356 N 0.90 0.47 -0.63 6.41 0.13 -1.85 0.39 132.00 137.83 3jwu h PRO 356 Ca 0.32 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 65.27 3jwu h PRO 356 Cb 0.09 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 3jwu h PRO 356 CO -0.14 0.53 0.09 -0.07 -0.23 0.00 0.00 178.00 178.18 3jwu h LEU 357 N 0.45 1.01 -0.11 1.56 3.38 -1.41 -1.73 115.31 118.46 3jwu h LEU 357 Ca 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3jwu h LEU 357 Cb 0.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3jwu h LEU 357 CO 0.01 1.02 0.02 0.00 0.09 0.00 0.00 178.44 179.58 3jwu h ALA 358 N 1.03 0.14 -0.23 1.53 0.00 -0.43 -2.90 119.26 118.40 3jwu h ALA 358 Ca 0.19 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3jwu h ALA 358 Cb 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3jwu h ALA 358 CO 0.01 -0.20 -0.12 -0.22 0.00 0.00 0.00 179.25 178.72 3jwu h LYS 359 N -0.06 -0.09 -0.43 0.00 3.64 -0.16 -0.58 116.57 118.89 3jwu h LYS 359 Ca 0.03 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3jwu h LYS 359 Cb 0.30 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3jwu h LYS 359 CO 0.00 -0.06 0.12 0.93 -2.27 0.00 0.00 179.45 178.17 3jwu h GLU 360 N -0.10 0.26 -0.15 1.90 5.08 -1.36 0.14 114.58 120.35 3jwu h GLU 360 Ca 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3jwu h GLU 360 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3jwu h GLU 360 CO -0.29 0.17 0.08 0.35 -1.00 0.00 0.00 179.01 178.32 3jwu h PHE 361 N 0.26 0.20 -0.25 4.33 3.57 -1.26 -1.13 116.94 122.66 3jwu h PHE 361 Ca 0.21 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 3jwu h PHE 361 Cb 0.23 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3jwu h PHE 361 CO -0.18 0.22 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.74 3jwu h LEU 362 N 0.13 0.54 -0.24 0.59 3.38 -0.74 0.84 115.31 119.81 3jwu h LEU 362 Ca 0.05 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3jwu h LEU 362 Cb 0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3jwu h LEU 362 CO -0.01 0.82 -0.08 0.44 0.09 0.00 0.00 178.44 179.70 3jwu h ASP 363 N 0.45 -0.29 -0.34 -0.43 3.45 -0.67 0.18 116.42 118.77 3jwu h ASP 363 Ca 0.06 0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.63 3jwu h ASP 363 Cb 0.76 0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.68 3jwu h ASP 363 CO 0.06 -0.11 0.13 1.56 -1.57 0.00 0.00 179.24 179.31 3jwu h GLN 364 N -0.04 0.28 -0.27 3.56 4.20 -0.63 -1.02 115.11 121.19 3jwu h GLN 364 Ca 0.12 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3jwu h GLN 364 Cb 0.22 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3jwu h GLN 364 CO -0.27 0.18 0.09 -0.92 -0.67 0.00 0.00 178.83 177.25 3jwu h TYR 365 N 0.29 0.43 -0.12 2.96 3.20 -0.60 -0.96 116.97 122.17 3jwu h TYR 365 Ca 0.15 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 3jwu h TYR 365 Cb 0.10 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3jwu h TYR 365 CO -0.13 0.45 -0.42 1.88 -1.64 0.00 0.00 178.16 178.31 3jwu h TYR 366 N 0.28 0.32 -0.65 -3.82 -1.99 -0.53 -2.19 116.97 108.38 3jwu h TYR 366 Ca 0.09 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3jwu h TYR 366 Cb 0.22 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 3jwu h TYR 366 CO 0.00 0.65 0.41 0.77 -0.00 0.00 0.00 178.16 179.99 3jwu h SER 367 N 0.23 0.76 -1.01 3.88 0.02 -1.08 0.32 113.55 116.67 3jwu h SER 367 Ca 0.02 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3jwu h SER 367 Cb 0.83 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 3jwu h SER 367 CO 0.07 0.58 0.66 0.77 -1.14 0.00 0.00 176.83 177.76 3jwu h SER 368 N 0.88 1.09 -0.27 3.07 4.64 -0.56 -1.71 113.55 120.70 3jwu h SER 368 Ca 0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3jwu h SER 368 Cb -0.06 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.78 3jwu h SER 368 CO -0.05 0.73 0.00 2.30 -0.87 0.00 0.00 176.83 178.95 3jwu n ILE 369 N -4.45 0.35 -3.61 0.95 -5.35 -0.99 -4.92 119.36 101.35 3jwu n ILE 369 Ca 0.14 -0.38 -0.24 0.00 -0.27 0.00 0.00 62.75 62.01 3jwu n ILE 369 Cb 0.12 0.21 0.08 0.00 -1.74 0.00 0.00 39.64 38.30 3jwu n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jwu n LYS 370 N 0.32 -7.67 -0.91 6.28 4.76 -0.64 -4.92 118.16 115.38 3jwu n LYS 370 Ca 0.11 0.81 0.05 0.00 -2.87 0.00 0.00 58.31 56.42 3jwu n LYS 370 Cb 0.26 -5.85 0.11 0.00 -1.84 0.00 0.00 35.03 27.70 3jwu n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jwu n ARG 371 N -4.90 0.81 -2.00 1.97 5.12 0.11 -5.02 116.66 112.75 3jwu n ARG 371 Ca -0.02 -2.55 -0.42 0.00 -1.93 0.00 0.00 57.85 52.93 3jwu n ARG 371 Cb 0.57 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.96 3jwu n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jwu s PHE 372 N -1.67 2.31 0.00 -1.55 5.36 -1.09 -1.97 117.98 119.37 3jwu s PHE 372 Ca 0.33 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 3jwu s PHE 372 Cb 0.34 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 3jwu s PHE 372 CO -0.10 -3.65 0.00 0.41 -1.46 0.00 0.00 175.22 170.43 3jwu n GLY 373 N 4.00 0.75 3.76 13.12 0.00 -1.26 -5.01 105.19 120.53 3jwu n GLY 373 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3jwu n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwu s SER 374 N -2.96 4.51 0.24 1.61 1.04 -0.83 -4.78 113.70 112.53 3jwu s SER 374 Ca 0.00 1.95 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 3jwu s SER 374 Cb 0.00 -2.54 0.39 0.00 0.10 0.00 0.00 66.02 63.97 3jwu s SER 374 CO 0.00 -2.03 1.63 0.50 0.98 0.00 0.00 173.24 174.32 3jwu h LYS 375 N -0.78 0.07 -0.81 4.02 3.64 -1.96 0.14 116.57 120.89 3jwu h LYS 375 Ca -0.45 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3jwu h LYS 375 Cb 1.24 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 3jwu h LYS 375 CO 0.51 0.05 0.46 0.00 -2.27 0.00 0.00 179.45 178.20 3jwu h ALA 376 N 1.70 1.28 0.29 5.00 0.00 -1.91 0.17 119.26 125.78 3jwu h ALA 376 Ca 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3jwu h ALA 376 Cb 0.66 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3jwu h ALA 376 CO -0.67 0.60 -0.14 1.25 0.00 0.00 0.00 179.25 180.28 3jwu h HIS 377 N 1.13 -0.36 -0.40 0.00 -0.00 -1.52 -2.38 115.15 111.62 3jwu h HIS 377 Ca 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 3jwu h HIS 377 Cb 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3jwu h HIS 377 CO 0.01 -0.20 0.21 0.52 -0.00 0.00 0.00 177.93 178.47 3jwu h MET 378 N -0.43 0.57 -0.44 5.26 2.07 -0.19 -2.33 114.93 119.44 3jwu h MET 378 Ca -0.04 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.52 3jwu h MET 378 Cb 0.33 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 3jwu h MET 378 CO 0.07 0.48 0.28 -0.44 1.07 0.00 0.00 176.91 178.36 3jwu h ASP 379 N 0.51 0.50 -0.12 1.22 3.32 -0.74 -1.69 116.42 119.42 3jwu h ASP 379 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3jwu h ASP 379 Cb 0.09 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3jwu h ASP 379 CO -0.02 0.37 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.68 3jwu h ARG 380 N 0.59 0.29 -0.38 3.56 9.65 -1.00 -1.02 114.38 126.07 3jwu h ARG 380 Ca 0.16 -0.14 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3jwu h ARG 380 Cb -0.06 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 3jwu h ARG 380 CO -0.03 0.67 0.08 -0.07 2.80 0.00 0.00 179.97 183.41 3jwu h LEU 381 N -0.09 0.02 0.05 3.80 3.38 -1.20 0.33 115.31 121.59 3jwu h LEU 381 Ca 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3jwu h LEU 381 Cb 0.60 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3jwu h LEU 381 CO 0.03 0.05 -0.03 -0.08 0.09 0.00 0.00 178.44 178.50 3jwu h GLU 382 N 0.21 -0.07 -0.97 1.13 4.81 -1.27 0.20 114.58 118.62 3jwu h GLU 382 Ca 0.18 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3jwu h GLU 382 Cb 0.21 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.53 3jwu h GLU 382 CO -0.24 -0.05 0.61 1.49 -0.73 0.00 0.00 179.01 180.10 3jwu h GLU 383 N -0.07 0.99 -0.14 1.92 4.81 -0.95 0.59 114.58 121.74 3jwu h GLU 383 Ca -0.01 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3jwu h GLU 383 Cb 0.06 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3jwu h GLU 383 CO 0.01 0.65 -0.21 0.28 -0.73 0.00 0.00 179.01 179.01 3jwu h VAL 384 N 1.02 1.36 -0.49 0.32 2.07 -0.71 -0.96 116.25 118.85 3jwu h VAL 384 Ca 0.46 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.62 3jwu h VAL 384 Cb 0.36 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 3jwu h VAL 384 CO -0.23 0.42 0.11 -1.13 0.02 0.00 0.00 177.57 176.76 3jwu h ASN 385 N -0.00 0.02 -0.52 0.57 -0.00 -0.60 0.70 115.58 115.75 3jwu h ASN 385 Ca 0.01 0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.39 3jwu h ASN 385 Cb 0.78 0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 39.18 3jwu h ASN 385 CO 0.05 0.04 0.28 0.11 -0.00 0.00 0.00 177.43 177.91 3jwu h LYS 386 N 0.25 0.73 -0.73 6.67 1.57 -0.87 -1.44 116.57 122.75 3jwu h LYS 386 Ca 0.24 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3jwu h LYS 386 Cb 0.32 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3jwu h LYS 386 CO -0.31 0.58 0.31 1.49 -0.57 0.00 0.00 179.45 180.95 3jwu h GLU 387 N 0.70 1.06 -0.05 3.15 4.81 -0.59 -1.45 114.58 122.21 3jwu h GLU 387 Ca 0.18 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3jwu h GLU 387 Cb 0.06 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3jwu h GLU 387 CO -0.03 0.85 0.00 0.82 -0.73 0.00 0.00 179.01 179.92 3jwu h ILE 388 N 1.04 1.23 -0.44 2.32 2.04 -0.63 0.18 117.51 123.25 3jwu h ILE 388 Ca 0.25 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3jwu h ILE 388 Cb 0.17 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3jwu h ILE 388 CO -0.02 0.19 0.25 1.05 0.00 0.00 0.00 178.15 179.62 3jwu h GLU 389 N -0.19 0.60 0.16 2.37 4.11 -1.13 0.35 114.58 120.86 3jwu h GLU 389 Ca 0.01 -0.05 -0.23 0.00 0.07 0.00 0.00 59.36 59.16 3jwu h GLU 389 Cb 0.30 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.44 3jwu h GLU 389 CO 0.00 0.44 -1.02 1.03 0.07 0.00 0.00 179.01 179.52 3jwu h SER 390 N 0.61 0.53 -0.00 3.06 0.87 -1.20 -3.41 113.55 114.01 3jwu h SER 390 Ca 0.16 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 3jwu h SER 390 Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3jwu h SER 390 CO -0.03 1.49 -0.10 0.35 -0.53 0.00 0.00 176.83 178.01 3jwu n THR 391 N -4.02 0.00 -0.88 2.23 -2.24 0.62 -5.00 114.28 104.99 3jwu n THR 391 Ca -0.16 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3jwu n THR 391 Cb 0.89 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.16 3jwu n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3jwu n SER 392 N -0.50 -0.19 -1.00 3.42 7.64 0.12 -4.94 113.62 118.17 3jwu n SER 392 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3jwu n SER 392 Cb 0.08 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 3jwu n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3jwu n THR 393 N -2.04 0.00 -3.78 0.44 5.66 -1.26 -4.61 114.28 108.70 3jwu n THR 393 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3jwu n THR 393 Cb 0.01 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.75 3jwu n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jwu s TYR 394 N -5.65 -0.05 -0.12 1.09 -0.85 -1.26 -2.84 117.35 107.68 3jwu s TYR 394 Ca 0.00 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.23 3jwu s TYR 394 Cb 0.00 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 3jwu s TYR 394 CO 0.00 -0.92 -0.02 -0.65 -1.52 0.00 0.00 175.55 172.44 3jwu s GLN 395 N -3.89 3.29 0.26 -3.49 -1.52 -1.26 -5.06 119.66 107.99 3jwu s GLN 395 Ca 0.11 -0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 52.75 3jwu s GLN 395 Cb -0.01 -2.84 -0.09 0.00 -0.22 0.00 0.00 33.01 29.85 3jwu s GLN 395 CO -0.01 0.49 1.04 -0.51 -0.25 0.00 0.00 175.29 176.04 3jwu s LEU 396 N -0.30 4.59 0.85 2.90 1.43 -1.26 -5.05 118.68 121.84 3jwu s LEU 396 Ca 0.06 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 3jwu s LEU 396 Cb -0.12 -3.62 0.11 0.00 0.03 0.00 0.00 46.19 42.58 3jwu s LEU 396 CO 0.02 -0.03 1.13 -0.54 0.23 0.00 0.00 176.35 177.17 3jwu s LYS 397 N -1.31 1.51 0.20 1.70 -0.14 -1.26 -4.83 119.74 115.62 3jwu s LYS 397 Ca 0.43 1.45 -0.11 0.00 -1.36 0.00 0.00 55.97 56.39 3jwu s LYS 397 Cb -0.30 -1.79 0.17 0.00 -1.68 0.00 0.00 37.83 34.23 3jwu s LYS 397 CO 0.37 -2.25 1.85 -0.44 -0.76 0.00 0.00 175.35 174.13 3jwu h ASP 398 N -1.49 0.72 -0.85 2.83 3.32 -1.99 -1.38 116.42 117.58 3jwu h ASP 398 Ca -0.44 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.63 3jwu h ASP 398 Cb 1.26 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 3jwu h ASP 398 CO 0.45 0.51 0.56 0.71 -1.72 0.00 0.00 179.24 179.75 3jwu h THR 399 N 0.86 1.17 -0.15 0.35 1.35 -2.00 -1.60 112.91 112.89 3jwu h THR 399 Ca 0.27 -0.37 -0.19 0.00 -0.55 0.00 0.00 66.41 65.57 3jwu h THR 399 Cb -0.01 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.39 3jwu h THR 399 CO -0.09 0.20 -0.67 -0.33 -0.25 0.00 0.00 175.52 174.38 3jwu h GLU 400 N 1.09 0.61 -0.55 4.72 5.08 -1.78 -2.14 114.58 121.61 3jwu h GLU 400 Ca 0.33 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3jwu h GLU 400 Cb -0.03 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3jwu h GLU 400 CO -0.09 1.07 0.12 1.25 -1.00 0.00 0.00 179.01 180.36 3jwu h LEU 401 N 0.44 0.85 0.36 1.33 5.85 -0.85 0.19 115.31 123.47 3jwu h LEU 401 Ca -0.02 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3jwu h LEU 401 Cb 1.25 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3jwu h LEU 401 CO 0.13 0.88 -0.17 0.40 -0.34 0.00 0.00 178.44 179.33 3jwu h ILE 402 N 0.79 0.66 -0.78 4.05 2.04 -1.29 -1.10 117.51 121.87 3jwu h ILE 402 Ca 0.17 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.90 3jwu h ILE 402 Cb 0.37 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3jwu h ILE 402 CO 0.01 0.05 0.36 0.22 0.00 0.00 0.00 178.15 178.79 3jwu h TYR 403 N -0.63 0.62 -0.53 1.37 3.20 -1.32 -1.75 116.97 117.94 3jwu h TYR 403 Ca -0.05 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3jwu h TYR 403 Cb 0.46 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3jwu h TYR 403 CO -0.02 0.13 0.05 0.78 -1.64 0.00 0.00 178.16 177.47 3jwu h GLY 404 N 0.54 0.97 0.78 1.82 0.00 -0.37 -0.72 103.07 106.08 3jwu h GLY 404 Ca 0.42 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3jwu h GLY 404 CO -0.36 0.63 -0.11 0.00 0.00 0.00 0.00 176.54 176.70 3jwu h ALA 405 N 0.97 0.25 -0.96 3.60 0.00 -0.87 -0.61 119.26 121.64 3jwu h ALA 405 Ca 0.16 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3jwu h ALA 405 Cb 0.46 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3jwu h ALA 405 CO 0.02 0.09 0.62 0.87 0.00 0.00 0.00 179.25 180.84 3jwu h LYS 406 N 0.06 1.11 -0.12 0.00 1.57 -1.26 -2.57 116.57 115.36 3jwu h LYS 406 Ca 0.04 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3jwu h LYS 406 Cb 0.60 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3jwu h LYS 406 CO 0.03 0.74 -0.49 0.45 -0.57 0.00 0.00 179.45 179.60 3jwu h HIS 407 N 1.15 0.38 -0.95 -1.35 3.86 -0.74 -1.40 115.15 116.10 3jwu h HIS 407 Ca 0.40 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3jwu h HIS 407 Cb 0.10 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 3jwu h HIS 407 CO -0.01 0.75 0.62 0.00 0.86 0.00 0.00 177.93 180.15 3jwu h ALA 408 N 1.23 1.24 0.03 2.45 0.00 -0.75 0.18 119.26 123.64 3jwu h ALA 408 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jwu h ALA 408 Cb 0.96 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3jwu h ALA 408 CO 0.08 0.52 -0.01 2.35 0.00 0.00 0.00 179.25 182.18 3jwu h TRP 409 N 1.22 -0.03 -1.05 0.00 7.01 -1.21 -2.62 115.95 119.27 3jwu h TRP 409 Ca 0.37 -0.00 0.28 0.00 2.11 0.00 0.00 58.89 61.64 3jwu h TRP 409 Cb -0.03 0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 26.94 3jwu h TRP 409 CO -0.01 0.43 0.67 -0.09 -2.79 0.00 0.00 178.44 176.65 3jwu h ARG 410 N -0.51 0.38 -0.01 2.65 2.43 -0.99 0.58 114.38 118.91 3jwu h ARG 410 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3jwu h ARG 410 Cb 0.48 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3jwu h ARG 410 CO 0.01 0.25 -0.08 0.09 -1.51 0.00 0.00 179.97 178.73 3jwu n ASN 411 N -4.67 0.87 -4.55 -3.80 3.02 0.61 -4.82 115.26 101.92 3jwu n ASN 411 Ca 0.26 -1.03 -0.39 0.00 -0.03 0.00 0.00 54.58 53.40 3jwu n ASN 411 Cb 0.90 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.04 3jwu n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwu s ALA 412 N -2.24 2.53 0.53 5.41 0.00 0.19 -4.70 121.76 123.49 3jwu s ALA 412 Ca 0.34 -1.61 0.30 0.00 0.00 0.00 0.00 51.96 50.98 3jwu s ALA 412 Cb 0.20 -4.40 1.72 0.00 0.00 0.00 0.00 23.12 20.65 3jwu s ALA 412 CO 0.42 -3.66 2.19 0.66 0.00 0.00 0.00 175.76 175.37 3jwu h SER 413 N 10.73 0.00 0.10 0.00 4.64 -1.87 -1.78 113.55 125.37 3jwu h SER 413 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3jwu h SER 413 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3jwu h SER 413 CO 1.32 0.04 -0.04 0.54 -0.87 0.00 0.00 176.83 177.82 3jwu n ARG 414 N -3.73 1.14 -3.40 4.77 1.74 -1.26 -0.74 116.66 115.18 3jwu n ARG 414 Ca -0.03 -0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 56.23 3jwu n ARG 414 Cb 0.14 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 3jwu n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwu n VAL 416 N 5.24 0.33 0.28 0.00 3.14 -1.26 -3.84 118.33 122.21 3jwu n VAL 416 Ca -0.09 -0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.26 3jwu n VAL 416 Cb 0.49 -0.58 0.23 0.00 -1.06 0.00 0.00 33.84 32.92 3jwu n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jwu n GLY 417 N 1.30 1.56 0.00 7.55 0.00 -1.26 -4.48 105.19 109.85 3jwu n GLY 417 Ca 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3jwu n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwu n ARG 418 N 0.87 0.06 0.03 1.61 1.74 -1.25 -2.35 116.66 117.37 3jwu n ARG 418 Ca 0.17 0.22 0.21 0.00 -0.77 0.00 0.00 57.85 57.69 3jwu n ARG 418 Cb 0.51 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 31.18 3jwu n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jwu h ILE 419 N 0.00 0.51 -0.00 0.55 2.10 -1.89 -0.65 117.51 118.12 3jwu h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jwu h ILE 419 Cb 0.21 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 3jwu h ILE 419 CO 0.00 0.00 -0.03 0.00 -1.08 0.00 0.00 178.15 177.04 3jwu n GLN 420 N -3.99 1.04 -0.20 2.19 1.13 -0.99 -4.62 117.38 111.94 3jwu n GLN 420 Ca 0.09 -0.31 0.17 0.00 -1.94 0.00 0.00 57.00 55.02 3jwu n GLN 420 Cb 0.65 -1.49 0.51 0.00 0.11 0.00 0.00 30.24 30.01 3jwu n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jwu h TRP 421 N 0.75 0.51 0.00 1.08 5.08 -1.33 0.03 115.95 122.06 3jwu h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3jwu h TRP 421 Cb 0.24 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 26.24 3jwu h TRP 421 CO 0.00 0.17 0.00 -1.13 -1.28 0.00 0.00 178.44 176.20 3jwu n SER 422 N -4.49 0.57 -4.24 0.11 3.41 -1.26 -4.15 113.62 103.57 3jwu n SER 422 Ca 0.16 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.90 3jwu n SER 422 Cb 0.60 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 3jwu n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jwu s LYS 423 N -3.08 3.16 -0.04 4.33 1.02 -0.00 -4.98 119.74 120.15 3jwu s LYS 423 Ca 0.11 -2.43 -0.00 0.00 0.02 0.00 0.00 55.97 53.67 3jwu s LYS 423 Cb 0.14 -4.15 0.03 0.00 -0.52 0.00 0.00 37.83 33.33 3jwu s LYS 423 CO 0.57 -1.25 0.02 -1.17 -0.92 0.00 0.00 175.35 172.60 3jwu s LEU 424 N 0.18 0.82 -0.22 3.17 2.96 -1.26 -4.67 118.68 119.66 3jwu s LEU 424 Ca 0.16 -0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 53.81 3jwu s LEU 424 Cb -0.15 -0.23 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 3jwu s LEU 424 CO -0.06 -0.15 0.87 -1.58 -1.32 0.00 0.00 176.35 174.10 3jwu s GLN 425 N 1.46 4.23 -0.26 1.98 2.00 -0.36 -4.97 119.66 123.74 3jwu s GLN 425 Ca -0.04 1.03 -0.09 0.00 -2.00 0.00 0.00 55.36 54.26 3jwu s GLN 425 Cb -0.13 -3.62 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 3jwu s GLN 425 CO -0.03 -0.48 0.14 0.08 -0.50 0.00 0.00 175.29 174.50 3jwu s VAL 426 N 2.71 4.91 -0.36 1.34 1.01 -1.26 -0.92 120.40 127.84 3jwu s VAL 426 Ca 0.37 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3jwu s VAL 426 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3jwu s VAL 426 CO 0.08 0.29 0.25 -0.36 0.00 0.00 0.00 175.10 175.37 3jwu s PHE 427 N 1.65 3.23 -0.61 5.22 0.08 0.53 -4.97 117.98 123.11 3jwu s PHE 427 Ca 0.07 -0.32 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 3jwu s PHE 427 Cb -0.15 -2.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 3jwu s PHE 427 CO 0.08 -0.42 1.16 0.34 -0.10 0.00 0.00 175.22 176.28 3jwu s ASP 428 N 1.71 6.37 -0.37 1.36 3.68 -1.26 -1.34 116.67 126.81 3jwu s ASP 428 Ca 0.06 -0.10 0.06 0.00 2.13 0.00 0.00 52.55 54.70 3jwu s ASP 428 Cb -0.18 -2.53 0.53 0.00 -1.45 0.00 0.00 42.92 39.29 3jwu s ASP 428 CO 0.10 -1.51 1.61 0.00 0.13 0.00 0.00 175.17 175.50 3jwu n ALA 429 N 8.44 4.95 0.77 3.66 0.00 -0.07 -4.70 120.51 133.56 3jwu n ALA 429 Ca 0.06 -3.21 0.11 0.00 0.00 0.00 0.00 53.44 50.40 3jwu n ALA 429 Cb 0.49 -0.98 0.48 0.00 0.00 0.00 0.00 19.45 19.43 3jwu n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jwu n ARG 430 N -1.06 0.00 -0.02 0.00 1.74 -1.12 -2.05 116.66 114.14 3jwu n ARG 430 Ca 0.44 0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.77 3jwu n ARG 430 Cb 1.13 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 31.63 3jwu n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jwu n ASP 431 N -1.50 1.14 -4.77 0.55 5.75 -1.26 -4.52 116.55 111.94 3jwu n ASP 431 Ca 0.05 -1.46 -0.38 0.00 -0.01 0.00 0.00 54.79 53.00 3jwu n ASP 431 Cb 0.26 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.31 3jwu n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jwu n THR 433 N -0.18 0.00 -4.23 0.00 -2.24 -1.26 -4.79 114.28 101.57 3jwu n THR 433 Ca 0.06 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 3jwu n THR 433 Cb 0.47 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 3jwu n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jwu s THR 434 N -0.76 0.63 0.29 4.28 -4.23 -1.26 -4.63 115.64 109.96 3jwu s THR 434 Ca 0.00 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 3jwu s THR 434 Cb 0.00 -2.12 0.26 0.00 1.34 0.00 0.00 72.50 71.98 3jwu s THR 434 CO 0.00 -0.47 1.96 0.00 -0.54 0.00 0.00 174.62 175.57 3jwu h ALA 435 N 2.70 1.39 -0.58 3.99 0.00 -1.90 -0.23 119.26 124.64 3jwu h ALA 435 Ca -0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3jwu h ALA 435 Cb 1.20 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3jwu h ALA 435 CO 0.62 0.56 0.17 0.45 0.00 0.00 0.00 179.25 181.05 3jwu h HIS 436 N 1.14 0.95 -0.92 0.00 3.86 -1.96 0.41 115.15 118.63 3jwu h HIS 436 Ca 0.31 -0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 3jwu h HIS 436 Cb -0.13 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.01 3jwu h HIS 436 CO 0.00 0.80 0.59 0.78 0.86 0.00 0.00 177.93 180.96 3jwu h GLY 437 N 0.82 1.36 0.93 2.45 0.00 -1.77 -1.88 103.07 104.99 3jwu h GLY 437 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3jwu h GLY 437 CO -0.00 0.36 0.13 -0.33 0.00 0.00 0.00 176.54 176.70 3jwu h MET 438 N 1.13 0.40 -0.57 4.80 0.00 -0.24 -1.53 114.93 118.91 3jwu h MET 438 Ca 0.38 -0.06 0.04 0.00 0.00 0.00 0.00 59.70 60.06 3jwu h MET 438 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 31.60 31.54 3jwu h MET 438 CO -0.14 0.39 0.32 0.35 0.00 0.00 0.00 176.91 177.83 3jwu h PHE 439 N 0.31 0.59 -0.15 -0.22 3.04 -0.71 0.41 116.94 120.21 3jwu h PHE 439 Ca 0.09 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.08 3jwu h PHE 439 Cb 0.12 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 3jwu h PHE 439 CO -0.02 0.30 0.05 -0.97 -2.02 0.00 0.00 178.31 175.66 3jwu h ASN 440 N 0.61 0.07 -0.99 0.41 -1.24 -1.14 -0.10 115.58 113.21 3jwu h ASN 440 Ca 0.25 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.36 3jwu h ASN 440 Cb 0.11 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.09 3jwu h ASN 440 CO -0.14 0.06 0.64 1.88 -1.29 0.00 0.00 177.43 178.57 3jwu h TYR 441 N 0.13 1.16 -0.21 0.67 -1.99 -0.80 -2.35 116.97 113.58 3jwu h TYR 441 Ca 0.06 0.03 -0.21 0.00 2.00 0.00 0.00 58.73 60.62 3jwu h TYR 441 Cb 0.03 -0.37 0.01 0.00 2.00 0.00 0.00 36.73 38.39 3jwu h TYR 441 CO -0.10 0.54 -0.68 0.82 -0.00 0.00 0.00 178.16 178.74 3jwu h ILE 442 N 1.08 1.28 -0.45 -2.88 2.04 -0.57 -1.29 117.51 116.71 3jwu h ILE 442 Ca 0.45 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3jwu h ILE 442 Cb 0.31 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3jwu h ILE 442 CO -0.20 0.60 0.30 0.00 0.00 0.00 0.00 178.15 178.85 3jwu h ASN 444 N 0.61 1.12 -0.01 0.00 2.35 -1.25 -0.44 115.58 117.96 3jwu h ASN 444 Ca 0.17 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3jwu h ASN 444 Cb -0.07 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.02 3jwu h ASN 444 CO -0.04 0.89 0.01 -0.74 -1.65 0.00 0.00 177.43 175.90 3jwu h HIS 445 N 1.26 0.01 -0.73 1.19 -0.00 -0.70 0.05 115.15 116.24 3jwu h HIS 445 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 3jwu h HIS 445 Cb 0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3jwu h HIS 445 CO 0.01 0.04 0.39 0.28 -0.00 0.00 0.00 177.93 178.64 3jwu h VAL 446 N -0.02 1.23 -0.28 5.26 2.07 -0.60 0.19 116.25 124.12 3jwu h VAL 446 Ca 0.00 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3jwu h VAL 446 Cb 0.03 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3jwu h VAL 446 CO -0.00 0.26 -0.01 0.50 0.02 0.00 0.00 177.57 178.33 3jwu h LYS 447 N 1.01 0.50 -0.15 1.57 3.64 -0.96 -0.45 116.57 121.73 3jwu h LYS 447 Ca 0.26 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3jwu h LYS 447 Cb 0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3jwu h LYS 447 CO -0.04 0.67 0.07 -0.92 -2.27 0.00 0.00 179.45 176.95 3jwu h TYR 448 N 0.27 0.21 -0.44 1.91 3.20 -0.57 -1.97 116.97 119.59 3jwu h TYR 448 Ca 0.08 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 3jwu h TYR 448 Cb 0.45 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3jwu h TYR 448 CO 0.04 0.26 -0.12 0.00 -1.64 0.00 0.00 178.16 176.70 3jwu h ALA 449 N 0.93 0.97 0.04 1.82 0.00 -0.60 -3.16 119.26 119.26 3jwu h ALA 449 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3jwu h ALA 449 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3jwu h ALA 449 CO -0.01 0.61 -0.02 1.15 0.00 0.00 0.00 179.25 180.98 3jwu h THR 450 N 0.71 1.27 -6.38 0.00 2.02 -1.01 0.87 112.91 110.40 3jwu h THR 450 Ca 0.12 -1.04 -0.48 0.00 0.77 0.00 0.00 66.41 65.77 3jwu h THR 450 Cb 0.61 1.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 3jwu h THR 450 CO 0.04 0.26 -0.82 -3.20 0.37 0.00 0.00 175.52 172.17 3jwu n ASN 451 N -4.90 -2.68 -3.14 4.18 5.15 -0.75 -1.35 115.26 111.77 3jwu n ASN 451 Ca -0.08 -0.88 -0.21 0.00 -0.60 0.00 0.00 54.58 52.80 3jwu n ASN 451 Cb 0.24 -3.53 0.00 0.00 -0.53 0.00 0.00 39.78 35.97 3jwu n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jwu n LYS 452 N -4.47 -3.39 0.00 1.20 5.02 -1.26 -1.85 118.16 113.40 3jwu n LYS 452 Ca -0.11 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3jwu n LYS 452 Cb 0.59 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 3jwu n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jwu n GLY 453 N -1.15 2.78 3.00 0.72 0.00 -0.46 -4.93 105.19 105.16 3jwu n GLY 453 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3jwu n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jwu n ASN 454 N 0.00 5.42 -4.73 1.61 4.05 -0.77 -1.16 115.26 119.68 3jwu n ASN 454 Ca 0.00 -3.15 -0.40 0.00 0.45 0.00 0.00 54.58 51.47 3jwu n ASN 454 Cb 0.00 -1.44 0.01 0.00 1.23 0.00 0.00 39.78 39.58 3jwu n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jwu n LEU 455 N 3.51 4.51 -4.10 1.20 4.32 -1.24 -4.59 117.00 120.62 3jwu n LEU 455 Ca 0.36 1.11 -0.24 0.00 -0.02 0.00 0.00 56.01 57.22 3jwu n LEU 455 Cb 0.37 -1.55 -0.16 0.00 -1.62 0.00 0.00 43.42 40.46 3jwu n LEU 455 CO 0.75 -0.43 -0.48 -0.13 -1.22 0.00 0.00 177.39 175.89 3jwu s ARG 456 N -2.31 1.39 0.24 3.23 0.52 0.30 -4.98 118.95 117.34 3jwu s ARG 456 Ca 0.61 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.02 3jwu s ARG 456 Cb -0.48 -1.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.63 3jwu s ARG 456 CO 0.58 0.23 1.27 -1.12 0.02 0.00 0.00 175.30 176.28 3jwu s SER 457 N -0.04 6.93 0.08 0.23 0.01 -1.26 -4.42 113.70 115.24 3jwu s SER 457 Ca -0.01 2.45 -0.14 0.00 1.31 0.00 0.00 55.95 59.56 3jwu s SER 457 Cb -0.09 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.54 3jwu s SER 457 CO 0.01 -0.46 0.34 0.00 0.41 0.00 0.00 173.24 173.53 3jwu s ALA 458 N -0.40 -0.75 0.00 1.44 0.00 -0.81 -1.22 121.76 120.02 3jwu s ALA 458 Ca 0.53 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.41 3jwu s ALA 458 Cb -0.36 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3jwu s ALA 458 CO 0.42 -0.53 -0.02 -1.50 0.00 0.00 0.00 175.76 174.13 3jwu s ILE 459 N -3.28 0.17 -0.13 0.00 2.07 -0.10 -0.49 121.20 119.45 3jwu s ILE 459 Ca -0.00 -0.26 0.02 0.00 -1.41 0.00 0.00 60.65 59.00 3jwu s ILE 459 Cb 0.01 -0.18 -0.00 0.00 0.13 0.00 0.00 42.46 42.42 3jwu s ILE 459 CO -0.08 -0.06 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.82 3jwu s THR 460 N -0.32 2.52 -0.29 4.00 2.01 -0.48 -0.34 115.64 122.73 3jwu s THR 460 Ca -0.02 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 3jwu s THR 460 Cb -0.03 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.51 3jwu s THR 460 CO -0.00 0.54 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.81 3jwu s ILE 461 N 0.51 2.81 0.86 1.82 1.01 -0.45 -2.99 121.20 124.77 3jwu s ILE 461 Ca -0.12 -1.42 -0.13 0.00 0.00 0.00 0.00 60.65 58.99 3jwu s ILE 461 Cb -0.16 -2.61 0.13 0.00 0.01 0.00 0.00 42.46 39.82 3jwu s ILE 461 CO 0.05 -0.07 1.21 -0.36 0.00 0.00 0.00 174.94 175.77 3jwu s PHE 462 N 1.22 2.37 0.46 3.97 0.08 -0.63 -0.89 117.98 124.56 3jwu s PHE 462 Ca -0.06 0.51 -0.25 0.00 0.12 0.00 0.00 56.93 57.26 3jwu s PHE 462 Cb -0.20 -3.70 -0.08 0.00 -0.57 0.00 0.00 43.02 38.48 3jwu s PHE 462 CO -0.02 -2.09 1.40 -2.14 -0.10 0.00 0.00 175.22 172.28 3jwu s PRO 463 N -5.66 3.63 0.80 0.24 0.02 -1.26 -4.69 135.00 128.09 3jwu s PRO 463 Ca 0.67 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.93 3jwu s PRO 463 Cb -0.08 -2.60 0.08 0.00 0.02 0.00 0.00 34.50 31.92 3jwu s PRO 463 CO 0.50 -0.84 1.15 1.14 -0.33 0.00 0.00 177.00 178.61 3jwu s GLN 464 N -2.50 1.85 0.33 5.54 -2.07 -1.26 -4.56 119.66 116.99 3jwu s GLN 464 Ca 0.62 1.50 -0.28 0.00 -1.82 0.00 0.00 55.36 55.38 3jwu s GLN 464 Cb -0.43 -1.83 -0.13 0.00 -1.09 0.00 0.00 33.01 29.54 3jwu s GLN 464 CO 0.54 -2.00 1.19 -2.13 -1.32 0.00 0.00 175.29 171.57 3jwu n ARG 465 N -3.42 1.84 0.00 9.60 0.63 0.11 -4.90 116.66 120.52 3jwu n ARG 465 Ca 0.11 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 3jwu n ARG 465 Cb 0.52 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.26 3jwu n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jwu n THR 466 N 0.24 0.00 1.18 5.15 -2.24 -1.26 -4.78 114.28 112.57 3jwu n THR 466 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 3jwu n THR 466 Cb 0.35 -0.37 0.29 0.00 -2.10 0.00 0.00 70.33 68.50 3jwu n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jwu n ASP 467 N -0.45 2.37 0.00 3.42 3.85 -1.26 -4.84 116.55 119.64 3jwu n ASP 467 Ca 0.00 -1.79 0.00 0.00 -0.71 0.00 0.00 54.79 52.29 3jwu n ASP 467 Cb 0.00 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 3jwu n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jwu n GLY 468 N 1.28 1.17 0.59 6.12 0.00 -1.26 -4.78 105.19 108.31 3jwu n GLY 468 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3jwu n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jwu n LYS 469 N -2.00 1.07 -1.46 1.61 5.02 -1.26 -4.55 118.16 116.58 3jwu n LYS 469 Ca 0.00 -1.39 -0.00 0.00 -2.02 0.00 0.00 58.31 54.90 3jwu n LYS 469 Cb 0.00 -1.28 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 3jwu n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jwu n HIS 470 N 0.82 0.62 -2.10 2.13 8.25 -1.26 -4.40 115.22 119.27 3jwu n HIS 470 Ca 0.09 -1.37 -0.41 0.00 -0.26 0.00 0.00 57.72 55.77 3jwu n HIS 470 Cb 0.37 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 3jwu n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jwu s ASP 471 N -2.96 6.76 -0.01 0.41 -0.00 -1.26 -2.92 116.67 116.68 3jwu s ASP 471 Ca 0.37 2.69 -0.22 0.00 -0.00 0.00 0.00 52.55 55.39 3jwu s ASP 471 Cb 0.38 -2.65 -0.05 0.00 -0.00 0.00 0.00 42.92 40.60 3jwu s ASP 471 CO -0.08 -0.55 0.64 -0.36 -0.00 0.00 0.00 175.17 174.82 3jwu s PHE 472 N -1.05 3.66 -0.06 4.23 0.40 -1.26 -0.59 117.98 123.31 3jwu s PHE 472 Ca 0.50 1.24 -0.05 0.00 -0.60 0.00 0.00 56.93 58.02 3jwu s PHE 472 Cb -0.40 -2.68 0.02 0.00 0.51 0.00 0.00 43.02 40.47 3jwu s PHE 472 CO 0.52 0.28 0.16 1.03 0.70 0.00 0.00 175.22 177.91 3jwu s ARG 473 N 0.07 0.17 -0.36 0.44 1.81 -0.36 -3.18 118.95 117.54 3jwu s ARG 473 Ca 0.33 0.28 -0.19 0.00 -1.72 0.00 0.00 55.73 54.43 3jwu s ARG 473 Cb -0.18 0.02 0.00 0.00 -0.45 0.00 0.00 34.95 34.33 3jwu s ARG 473 CO 0.18 -0.06 0.58 0.08 -0.68 0.00 0.00 175.30 175.39 3jwu s VAL 474 N 0.41 4.95 0.25 3.52 1.01 -1.26 -0.99 120.40 128.29 3jwu s VAL 474 Ca -0.03 0.43 0.19 0.00 0.00 0.00 0.00 61.98 62.57 3jwu s VAL 474 Cb -0.04 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.46 3jwu s VAL 474 CO -0.02 -0.28 1.80 -0.50 0.00 0.00 0.00 175.10 176.10 3jwu h TRP 475 N 8.48 0.00 -3.99 5.22 4.06 -1.19 -3.42 115.95 125.11 3jwu h TRP 475 Ca -0.27 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.14 3jwu h TRP 475 Cb 1.12 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.39 3jwu h TRP 475 CO 0.73 0.34 0.66 -0.80 -3.56 0.00 0.00 178.44 175.82 3jwu s ASN 476 N -6.50 5.85 0.09 -3.49 -0.87 -1.26 -4.91 114.94 103.84 3jwu s ASN 476 Ca -0.01 2.83 -0.05 0.00 -1.57 0.00 0.00 52.86 54.06 3jwu s ASN 476 Cb 0.12 -2.65 -0.23 0.00 -0.02 0.00 0.00 41.25 38.47 3jwu s ASN 476 CO 0.68 -1.18 1.18 0.77 -2.57 0.00 0.00 177.10 175.98 3jwu h SER 477 N 2.22 0.48 -4.26 -1.22 4.64 -1.90 -3.35 113.55 110.16 3jwu h SER 477 Ca -0.51 -0.48 -0.47 0.00 -0.47 0.00 0.00 61.79 59.87 3jwu h SER 477 Cb 1.27 -0.15 -0.21 0.00 -0.31 0.00 0.00 62.40 62.99 3jwu h SER 477 CO 0.61 1.34 -0.79 -1.10 -0.87 0.00 0.00 176.83 176.01 3jwu s GLN 478 N -2.83 0.98 0.26 4.77 -0.21 -1.26 -0.84 119.66 120.53 3jwu s GLN 478 Ca -0.05 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.21 3jwu s GLN 478 Cb 0.07 -1.07 0.38 0.00 1.00 0.00 0.00 33.01 33.39 3jwu s GLN 478 CO 0.88 0.24 1.89 -0.07 -2.12 0.00 0.00 175.29 176.11 3jwu h LEU 479 N 4.05 1.04 -8.16 2.90 3.38 -1.47 -3.39 115.31 113.67 3jwu h LEU 479 Ca -0.43 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.88 3jwu h LEU 479 Cb 1.19 -0.22 -0.34 0.00 0.09 0.00 0.00 40.66 41.38 3jwu h LEU 479 CO 0.42 0.68 -0.86 -0.63 0.09 0.00 0.00 178.44 178.13 3jwu s ILE 480 N -6.05 1.99 0.08 1.22 1.01 -1.26 -4.85 121.20 113.33 3jwu s ILE 480 Ca -0.13 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.34 3jwu s ILE 480 Cb 0.20 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.97 3jwu s ILE 480 CO 0.81 0.53 0.66 -0.13 0.00 0.00 0.00 174.94 176.82 3jwu s ARG 481 N 0.90 1.16 0.05 2.79 0.52 -1.26 -4.85 118.95 118.26 3jwu s ARG 481 Ca -0.05 -0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 54.79 3jwu s ARG 481 Cb -0.15 0.54 -0.06 0.00 0.52 0.00 0.00 34.95 35.80 3jwu s ARG 481 CO -0.03 -0.47 0.40 0.71 0.02 0.00 0.00 175.30 175.93 3jwu s TYR 482 N -2.95 3.63 0.75 -0.53 4.12 -1.26 -0.57 117.35 120.55 3jwu s TYR 482 Ca -0.02 0.86 -0.14 0.00 0.02 0.00 0.00 57.07 57.79 3jwu s TYR 482 Cb -0.01 -2.20 0.05 0.00 -1.52 0.00 0.00 41.96 38.28 3jwu s TYR 482 CO -0.06 0.56 1.21 0.00 0.02 0.00 0.00 175.55 177.28 3jwu s ALA 483 N -1.28 2.03 -0.03 3.71 0.00 0.62 -4.44 121.76 122.37 3jwu s ALA 483 Ca 0.30 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3jwu s ALA 483 Cb -0.15 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3jwu s ALA 483 CO 0.16 -2.01 -0.14 0.20 0.00 0.00 0.00 175.76 173.97 3jwu s GLY 484 N -2.08 0.75 -0.12 0.00 0.00 -1.23 -1.30 107.32 103.34 3jwu s GLY 484 Ca 0.74 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 3jwu s GLY 484 CO 0.47 -0.36 -0.07 -0.19 0.00 0.00 0.00 173.10 172.96 3jwu s TYR 485 N -0.08 1.44 0.01 1.90 1.51 0.16 -4.21 117.35 118.09 3jwu s TYR 485 Ca 0.00 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 55.03 3jwu s TYR 485 Cb -0.08 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 3jwu s TYR 485 CO 0.01 -0.51 0.97 0.21 -1.11 0.00 0.00 175.55 175.12 3jwu s LYS 486 N 1.72 4.57 0.30 -0.62 2.47 -1.26 0.06 119.74 126.99 3jwu s LYS 486 Ca 0.04 1.42 0.02 0.00 -1.56 0.00 0.00 55.97 55.89 3jwu s LYS 486 Cb -0.13 -3.45 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 3jwu s LYS 486 CO -0.08 -0.02 0.47 -0.65 0.16 0.00 0.00 175.35 175.24 3jwu s GLN 487 N 0.89 3.48 0.46 4.03 -1.52 -0.20 -4.96 119.66 121.83 3jwu s GLN 487 Ca 0.51 -0.45 0.12 0.00 -1.95 0.00 0.00 55.36 53.59 3jwu s GLN 487 Cb -0.21 -2.75 1.03 0.00 -0.22 0.00 0.00 33.01 30.86 3jwu s GLN 487 CO 0.28 0.26 2.06 -1.00 -0.25 0.00 0.00 175.29 176.65 3jwu h PRO 488 N 1.06 0.19 0.00 2.91 0.13 -1.97 -1.33 132.00 132.99 3jwu h PRO 488 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3jwu h PRO 488 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jwu h PRO 488 CO 0.62 0.19 0.00 -0.40 -0.23 0.00 0.00 178.00 178.18 3jwu n ASP 489 N -4.45 0.00 0.00 1.44 3.85 -1.26 -4.89 116.55 111.24 3jwu n ASP 489 Ca -0.01 0.32 0.00 0.00 -0.71 0.00 0.00 54.79 54.39 3jwu n ASP 489 Cb 0.13 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.50 3jwu n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jwu n GLY 490 N -0.06 0.42 3.78 6.12 0.00 -0.50 -5.06 105.19 109.89 3jwu n GLY 490 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3jwu n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwu s SER 491 N -2.08 4.64 -0.09 1.61 1.04 -1.26 -4.78 113.70 112.78 3jwu s SER 491 Ca 0.00 1.69 0.02 0.00 0.48 0.00 0.00 55.95 58.14 3jwu s SER 491 Cb 0.00 -2.44 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 3jwu s SER 491 CO 0.00 -1.93 -0.14 -0.89 0.98 0.00 0.00 173.24 171.26 3jwu s THR 492 N -2.97 3.03 -0.18 2.02 2.01 -1.26 -1.03 115.64 117.27 3jwu s THR 492 Ca 0.60 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 3jwu s THR 492 Cb -0.16 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 3jwu s THR 492 CO 0.56 0.56 0.27 -0.22 -0.69 0.00 0.00 174.62 175.09 3jwu s LEU 493 N -0.20 4.22 0.00 4.42 2.96 0.11 -4.92 118.68 125.27 3jwu s LEU 493 Ca 0.00 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 3jwu s LEU 493 Cb -0.13 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.24 3jwu s LEU 493 CO 0.03 0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 3jwu n GLY 494 N 3.52 -0.18 3.55 7.98 0.00 -1.26 0.37 105.19 119.16 3jwu n GLY 494 Ca -0.12 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3jwu n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jwu s ASP 495 N -4.00 6.39 0.61 1.61 -1.08 -0.42 -4.78 116.67 115.00 3jwu s ASP 495 Ca 0.00 -0.05 0.36 0.00 -0.52 0.00 0.00 52.55 52.34 3jwu s ASP 495 Cb 0.00 -2.33 1.97 0.00 -1.46 0.00 0.00 42.92 41.09 3jwu s ASP 495 CO 0.00 -0.71 2.25 -0.65 0.52 0.00 0.00 175.17 176.58 3jwu h PRO 496 N 8.68 0.00 0.00 4.34 0.11 -1.80 -1.91 132.00 141.42 3jwu h PRO 496 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jwu h PRO 496 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jwu h PRO 496 CO 0.88 0.02 -0.01 0.00 -0.21 0.00 0.00 178.00 178.68 3jwu h ALA 497 N 1.98 1.61 -0.30 -0.75 0.00 -1.93 -3.15 119.26 116.72 3jwu h ALA 497 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jwu h ALA 497 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jwu h ALA 497 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3jwu n ASN 498 N -3.98 3.72 0.07 0.00 3.02 -0.72 -4.68 115.26 112.69 3jwu n ASN 498 Ca -0.03 -2.76 -0.12 0.00 -0.03 0.00 0.00 54.58 51.64 3jwu n ASN 498 Cb 0.09 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.73 3jwu n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jwu h VAL 499 N 1.96 0.75 -0.06 2.41 2.07 -1.66 0.83 116.25 122.55 3jwu h VAL 499 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jwu h VAL 499 Cb 1.29 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3jwu h VAL 499 CO 0.18 0.00 0.03 -0.61 0.02 0.00 0.00 177.57 177.18 3jwu h GLN 500 N -0.19 0.06 -0.81 1.57 4.15 -1.86 -1.17 115.11 116.85 3jwu h GLN 500 Ca 0.03 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3jwu h GLN 500 Cb 0.22 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 3jwu h GLN 500 CO -0.07 0.04 0.47 0.35 -1.93 0.00 0.00 178.83 177.69 3jwu h PHE 501 N 0.06 1.08 -0.51 3.99 3.57 -1.87 -2.20 116.94 121.07 3jwu h PHE 501 Ca 0.03 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3jwu h PHE 501 Cb 0.01 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.34 3jwu h PHE 501 CO -0.09 0.73 0.21 1.15 -2.23 0.00 0.00 178.31 178.09 3jwu h THR 502 N 1.11 0.88 -0.67 4.41 2.02 -0.51 -0.94 112.91 119.21 3jwu h THR 502 Ca 0.29 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.40 3jwu h THR 502 Cb -0.02 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 3jwu h THR 502 CO -0.05 0.08 0.33 -0.33 0.37 0.00 0.00 175.52 175.92 3jwu h GLU 503 N 0.42 0.57 -0.31 6.66 5.08 -0.84 -1.33 114.58 124.83 3jwu h GLU 503 Ca 0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3jwu h GLU 503 Cb 0.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3jwu h GLU 503 CO -0.21 0.38 0.15 0.82 -1.00 0.00 0.00 179.01 179.14 3jwu h ILE 504 N 0.59 1.15 -0.50 3.13 2.04 -0.77 -1.26 117.51 121.90 3jwu h ILE 504 Ca 0.32 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3jwu h ILE 504 Cb 0.30 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3jwu h ILE 504 CO -0.24 0.16 0.20 0.00 0.00 0.00 0.00 178.15 178.26 3jwu h ILE 506 N 0.39 1.21 -0.83 0.00 2.04 -1.06 -0.73 117.51 118.53 3jwu h ILE 506 Ca 0.23 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3jwu h ILE 506 Cb 0.22 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3jwu h ILE 506 CO -0.22 0.24 0.52 -0.61 0.00 0.00 0.00 178.15 178.08 3jwu h GLN 507 N 0.63 1.11 0.00 2.37 4.15 -0.81 -1.14 115.11 121.42 3jwu h GLN 507 Ca 0.16 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3jwu h GLN 507 Cb 0.18 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3jwu h GLN 507 CO -0.01 0.76 0.00 1.04 -1.93 0.00 0.00 178.83 178.68 3jwu n GLN 508 N -4.39 0.24 0.00 1.69 1.13 0.23 -4.85 117.38 111.43 3jwu n GLN 508 Ca 0.09 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3jwu n GLN 508 Cb 0.05 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3jwu n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwu n GLY 509 N 0.23 1.17 3.72 1.08 0.00 -0.43 -4.93 105.19 106.03 3jwu n GLY 509 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3jwu n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jwu s TRP 510 N -2.00 3.06 -0.60 1.61 -0.00 -0.35 -4.96 118.94 115.70 3jwu s TRP 510 Ca 0.00 0.68 -0.22 0.00 -0.00 0.00 0.00 56.10 56.56 3jwu s TRP 510 Cb 0.00 -3.87 0.07 0.00 -0.00 0.00 0.00 33.47 29.66 3jwu s TRP 510 CO 0.00 -3.21 0.87 0.15 -0.00 0.00 0.00 176.95 174.77 3jwu s LYS 511 N 1.25 3.15 -0.04 5.86 -0.14 -1.26 -4.39 119.74 124.16 3jwu s LYS 511 Ca 0.69 -0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 54.23 3jwu s LYS 511 Cb -0.42 -4.17 -0.02 0.00 -1.68 0.00 0.00 37.83 31.54 3jwu s LYS 511 CO 0.31 -1.61 1.03 0.00 -0.76 0.00 0.00 175.35 174.32 3jwu s ALA 512 N 3.64 3.31 -0.84 5.17 0.00 -1.26 -4.92 121.76 126.85 3jwu s ALA 512 Ca 0.22 0.50 0.20 0.00 0.00 0.00 0.00 51.96 52.88 3jwu s ALA 512 Cb -0.17 -3.40 0.82 0.00 0.00 0.00 0.00 23.12 20.37 3jwu s ALA 512 CO 0.12 -0.45 1.62 -2.30 0.00 0.00 0.00 175.76 174.75 3jwu n PRO 513 N 4.47 0.07 -3.61 0.00 -0.02 -1.26 -4.93 135.00 129.73 3jwu n PRO 513 Ca 0.08 0.26 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 3jwu n PRO 513 Cb 0.49 -1.62 0.04 0.00 -0.02 0.00 0.00 33.50 32.39 3jwu n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jwu n ARG 514 N -1.76 -3.80 -2.96 -0.52 1.74 -1.26 -5.02 116.66 103.09 3jwu n ARG 514 Ca 0.04 0.64 -0.14 0.00 -0.77 0.00 0.00 57.85 57.62 3jwu n ARG 514 Cb 0.23 -5.10 -0.02 0.00 -1.02 0.00 0.00 32.46 26.55 3jwu n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwu n GLY 515 N -1.52 3.43 0.15 -0.13 0.00 -1.26 -5.06 105.19 100.81 3jwu n GLY 515 Ca -0.22 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.60 3jwu n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jwu h ARG 516 N 0.00 0.00 -2.01 1.61 2.43 -1.93 -3.39 114.38 111.09 3jwu h ARG 516 Ca -0.18 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.49 3jwu h ARG 516 Cb 0.61 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.76 3jwu h ARG 516 CO 0.30 0.27 -1.16 1.19 -1.51 0.00 0.00 179.97 179.06 3jwu n PHE 517 N -3.06 0.32 -3.15 2.20 3.01 -1.26 -4.15 117.46 111.36 3jwu n PHE 517 Ca 0.00 -3.80 -0.40 0.00 1.01 0.00 0.00 57.45 54.27 3jwu n PHE 517 Cb 0.67 -0.42 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 3jwu n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jwu s ASP 518 N -2.33 6.69 0.10 4.37 1.01 -1.26 -4.93 116.67 120.32 3jwu s ASP 518 Ca 0.40 0.84 -0.31 0.00 0.71 0.00 0.00 52.55 54.18 3jwu s ASP 518 Cb 0.32 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.84 3jwu s ASP 518 CO -0.09 -0.22 1.46 -0.69 0.21 0.00 0.00 175.17 175.84 3jwu s VAL 519 N 1.66 3.19 0.55 -1.27 1.01 -1.26 -0.28 120.40 124.00 3jwu s VAL 519 Ca 0.28 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 3jwu s VAL 519 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3jwu s VAL 519 CO 0.11 0.04 1.11 -0.76 0.00 0.00 0.00 175.10 175.61 3jwu s LEU 520 N 1.49 3.71 0.68 3.92 1.43 0.26 -4.85 118.68 125.33 3jwu s LEU 520 Ca 0.67 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.77 3jwu s LEU 520 Cb -0.38 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.27 3jwu s LEU 520 CO 0.30 -1.21 1.05 -2.16 0.23 0.00 0.00 176.35 174.57 3jwu s PRO 521 N -3.39 3.06 0.23 1.29 0.04 -1.26 -4.77 135.00 130.20 3jwu s PRO 521 Ca 0.71 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 3jwu s PRO 521 Cb -0.22 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3jwu s PRO 521 CO 0.28 -1.00 0.95 -0.51 0.04 0.00 0.00 177.00 176.76 3jwu s LEU 522 N -5.43 4.63 -0.27 -3.56 1.43 0.11 -4.89 118.68 110.71 3jwu s LEU 522 Ca 0.58 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.65 3jwu s LEU 522 Cb -0.14 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.54 3jwu s LEU 522 CO 0.54 0.12 -0.05 -0.22 0.23 0.00 0.00 176.35 176.97 3jwu s LEU 523 N -1.05 3.22 -0.05 1.79 2.96 -1.26 -1.49 118.68 122.80 3jwu s LEU 523 Ca 0.42 -1.45 0.06 0.00 -0.22 0.00 0.00 54.13 52.94 3jwu s LEU 523 Cb -0.26 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3jwu s LEU 523 CO 0.32 -0.25 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.10 3jwu s LEU 524 N 1.22 2.04 -0.17 -0.68 1.43 -0.54 -0.64 118.68 121.35 3jwu s LEU 524 Ca -0.03 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3jwu s LEU 524 Cb -0.19 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3jwu s LEU 524 CO -0.07 0.23 -0.19 -1.58 0.23 0.00 0.00 176.35 174.98 3jwu s GLN 525 N -0.16 2.84 -0.04 1.70 0.74 -0.17 -0.10 119.66 124.47 3jwu s GLN 525 Ca -0.03 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 54.64 3jwu s GLN 525 Cb -0.13 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 3jwu s GLN 525 CO 0.03 -0.22 -0.11 0.00 -0.55 0.00 0.00 175.29 174.45 3jwu s ALA 526 N 1.33 2.82 -1.30 1.58 0.00 -1.26 -1.22 121.76 123.71 3jwu s ALA 526 Ca 0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 3jwu s ALA 526 Cb -0.13 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.94 3jwu s ALA 526 CO -0.13 0.57 0.16 -1.71 0.00 0.00 0.00 175.76 174.66 3jwu n ASN 527 N 2.12 -4.56 0.00 0.00 4.05 -1.22 -0.86 115.26 114.80 3jwu n ASN 527 Ca -0.17 -0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.85 3jwu n ASN 527 Cb 0.52 -3.80 0.00 0.00 1.23 0.00 0.00 39.78 37.73 3jwu n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jwu n GLY 528 N -1.00 0.85 3.78 8.20 0.00 0.25 -4.50 105.19 112.76 3jwu n GLY 528 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3jwu n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwu s ASN 529 N -2.81 4.38 0.40 1.61 0.01 -0.04 -4.86 114.94 113.64 3jwu s ASN 529 Ca 0.00 1.51 -0.26 0.00 -0.71 0.00 0.00 52.86 53.40 3jwu s ASN 529 Cb 0.00 -2.25 -0.10 0.00 0.41 0.00 0.00 41.25 39.31 3jwu s ASN 529 CO 0.00 -2.07 1.36 0.47 -1.51 0.00 0.00 177.10 175.35 3jwu n ASP 530 N -3.52 3.04 -4.78 -1.22 8.00 -1.26 -4.37 116.55 112.44 3jwu n ASP 530 Ca 0.07 1.16 -0.33 0.00 0.71 0.00 0.00 54.79 56.40 3jwu n ASP 530 Cb 0.55 -1.55 0.03 0.00 -0.02 0.00 0.00 41.12 40.13 3jwu n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jwu s PRO 531 N -2.18 3.05 0.07 -0.24 0.04 -1.26 -4.72 135.00 129.76 3jwu s PRO 531 Ca 0.58 1.32 0.08 0.00 0.04 0.00 0.00 61.00 63.02 3jwu s PRO 531 Cb -0.50 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3jwu s PRO 531 CO 0.60 -1.04 -0.21 -1.21 0.04 0.00 0.00 177.00 175.18 3jwu s GLU 532 N -4.06 1.24 0.11 4.56 2.02 0.85 -4.85 118.70 118.58 3jwu s GLU 532 Ca 0.66 -1.05 -0.21 0.00 0.02 0.00 0.00 54.97 54.39 3jwu s GLU 532 Cb -0.19 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.54 3jwu s GLU 532 CO 0.39 0.35 0.64 -0.51 0.02 0.00 0.00 175.26 176.15 3jwu s LEU 533 N -1.55 4.53 -0.09 1.80 1.43 -1.26 -1.46 118.68 122.08 3jwu s LEU 533 Ca 0.07 1.39 -0.07 0.00 -1.03 0.00 0.00 54.13 54.48 3jwu s LEU 533 Cb -0.09 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 43.08 3jwu s LEU 533 CO 0.03 0.24 0.23 -0.36 0.23 0.00 0.00 176.35 176.72 3jwu s PHE 534 N -1.16 -0.26 -0.26 0.29 0.40 -0.56 -4.99 117.98 111.45 3jwu s PHE 534 Ca 0.32 0.64 -0.17 0.00 -0.60 0.00 0.00 56.93 57.12 3jwu s PHE 534 Cb -0.20 0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.37 3jwu s PHE 534 CO 0.21 -0.14 0.49 -1.14 0.70 0.00 0.00 175.22 175.34 3jwu s GLN 535 N 0.37 4.07 0.22 0.44 0.74 -1.26 0.08 119.66 124.32 3jwu s GLN 535 Ca -0.02 0.27 -0.32 0.00 0.05 0.00 0.00 55.36 55.35 3jwu s GLN 535 Cb -0.04 -3.64 -0.12 0.00 1.10 0.00 0.00 33.01 30.31 3jwu s GLN 535 CO -0.02 -0.32 1.70 0.42 -0.55 0.00 0.00 175.29 176.53 3jwu s ILE 536 N 2.19 2.02 0.06 -2.34 1.01 -1.26 -4.90 121.20 117.99 3jwu s ILE 536 Ca 0.20 0.02 -0.36 0.00 0.00 0.00 0.00 60.65 60.51 3jwu s ILE 536 Cb -0.16 -3.01 -0.15 0.00 0.01 0.00 0.00 42.46 39.15 3jwu s ILE 536 CO 0.09 0.00 1.53 -2.65 0.00 0.00 0.00 174.94 173.91 3jwu n PRO 537 N 3.67 1.66 0.19 2.79 -0.02 -1.26 -4.84 135.00 137.19 3jwu n PRO 537 Ca 0.15 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 3jwu n PRO 537 Cb 0.35 -2.32 0.56 0.00 -0.02 0.00 0.00 33.50 32.07 3jwu n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jwu h PRO 538 N 5.83 0.14 0.00 0.52 0.11 -1.95 -0.29 132.00 136.36 3jwu h PRO 538 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jwu h PRO 538 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3jwu h PRO 538 CO 0.86 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.83 3jwu h GLU 539 N 0.14 0.00 0.00 1.05 9.09 -2.03 -1.32 114.58 121.52 3jwu h GLU 539 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3jwu h GLU 539 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 3jwu h GLU 539 CO -0.00 0.00 -0.54 1.28 0.05 0.00 0.00 179.01 179.80 3jwu n LEU 540 N -2.56 0.67 -4.33 3.06 4.32 -0.12 -4.77 117.00 113.27 3jwu n LEU 540 Ca -0.00 0.25 -0.46 0.00 -0.02 0.00 0.00 56.01 55.78 3jwu n LEU 540 Cb 0.15 -0.21 -0.05 0.00 -1.62 0.00 0.00 43.42 41.69 3jwu n LEU 540 CO 0.18 -0.05 0.22 -0.69 -1.22 0.00 0.00 177.39 175.83 3jwu s VAL 541 N -3.14 5.09 -0.07 4.08 1.01 -0.50 -4.80 120.40 122.07 3jwu s VAL 541 Ca 0.07 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 3jwu s VAL 541 Cb 0.14 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3jwu s VAL 541 CO 0.70 -0.94 0.99 -0.22 0.00 0.00 0.00 175.10 175.63 3jwu s LEU 542 N 1.94 4.29 0.15 3.92 2.96 -1.26 -5.01 118.68 125.66 3jwu s LEU 542 Ca 0.06 1.56 0.08 0.00 -0.22 0.00 0.00 54.13 55.61 3jwu s LEU 542 Cb -0.28 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 3jwu s LEU 542 CO 0.04 -0.38 -0.17 -1.61 -1.32 0.00 0.00 176.35 172.91 3jwu s GLU 543 N 1.66 1.18 -0.16 1.98 2.02 -1.26 -1.33 118.70 122.79 3jwu s GLU 543 Ca 0.49 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 54.15 3jwu s GLU 543 Cb -0.19 -1.19 0.03 0.00 0.10 0.00 0.00 34.13 32.88 3jwu s GLU 543 CO 0.21 0.24 -0.10 0.08 0.02 0.00 0.00 175.26 175.72 3jwu s VAL 544 N -2.02 1.36 0.21 2.63 1.01 0.63 -4.91 120.40 119.30 3jwu s VAL 544 Ca 0.13 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3jwu s VAL 544 Cb -0.06 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 3jwu s VAL 544 CO 0.05 0.28 1.34 -2.84 0.00 0.00 0.00 175.10 173.94 3jwu s PRO 545 N 1.55 4.36 -0.21 2.72 0.02 -1.26 -1.74 135.00 140.44 3jwu s PRO 545 Ca 0.02 2.12 -0.16 0.00 0.02 0.00 0.00 61.00 63.00 3jwu s PRO 545 Cb -0.14 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3jwu s PRO 545 CO -0.09 -0.30 0.41 0.42 -0.33 0.00 0.00 177.00 177.12 3jwu s ILE 546 N 0.07 5.18 0.25 2.83 -1.09 0.37 -4.85 121.20 123.96 3jwu s ILE 546 Ca 0.57 0.73 0.02 0.00 -2.23 0.00 0.00 60.65 59.74 3jwu s ILE 546 Cb -0.38 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3jwu s ILE 546 CO 0.40 0.23 0.06 0.00 -1.23 0.00 0.00 174.94 174.39 3jwu s ARG 547 N 1.47 1.40 -0.07 2.79 3.03 -1.26 -4.19 118.95 122.12 3jwu s ARG 547 Ca 0.19 -1.75 0.04 0.00 2.03 0.00 0.00 55.73 56.24 3jwu s ARG 547 Cb -0.15 -0.43 -0.02 0.00 -1.03 0.00 0.00 34.95 33.32 3jwu s ARG 547 CO 0.08 -0.22 -0.18 -1.58 -1.13 0.00 0.00 175.30 172.27 3jwu s HIS 548 N -3.60 2.62 0.58 5.89 2.46 -1.26 -4.38 115.29 117.61 3jwu s HIS 548 Ca 0.34 -0.46 0.31 0.00 0.47 0.00 0.00 55.06 55.73 3jwu s HIS 548 Cb 0.07 -1.66 1.86 0.00 -0.13 0.00 0.00 32.58 32.72 3jwu s HIS 548 CO 0.12 -0.04 2.25 -1.00 -2.47 0.00 0.00 174.74 173.60 3jwu h PRO 549 N 5.88 0.00 0.00 2.88 0.13 -1.92 -3.27 132.00 135.69 3jwu h PRO 549 Ca -0.37 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.67 3jwu h PRO 549 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3jwu h PRO 549 CO 0.50 0.01 -1.34 1.63 -0.23 0.00 0.00 178.00 178.57 3jwu n LYS 550 N -3.76 1.60 -3.18 0.86 5.02 -1.26 -4.95 118.16 112.49 3jwu n LYS 550 Ca -0.03 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.83 3jwu n LYS 550 Cb 0.09 -1.12 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 3jwu n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jwu s PHE 551 N -2.12 3.07 0.40 2.13 0.08 -1.23 -4.92 117.98 115.39 3jwu s PHE 551 Ca -0.05 -0.86 0.19 0.00 0.12 0.00 0.00 56.93 56.33 3jwu s PHE 551 Cb 0.02 -3.73 1.09 0.00 -0.57 0.00 0.00 43.02 39.82 3jwu s PHE 551 CO 0.17 -1.12 1.97 0.22 -0.10 0.00 0.00 175.22 176.36 3jwu h ASP 552 N 9.04 0.00 0.69 1.36 3.58 -1.93 -2.35 116.42 126.81 3jwu h ASP 552 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 3jwu h ASP 552 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3jwu h ASP 552 CO 1.02 0.21 0.00 -2.67 -2.88 0.00 0.00 179.24 174.93 3jwu n TRP 553 N -3.95 0.00 -0.27 0.28 4.27 -1.26 -3.78 117.44 112.72 3jwu n TRP 553 Ca -0.02 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.55 3jwu n TRP 553 Cb 0.30 -0.47 0.11 0.00 -1.36 0.00 0.00 31.31 29.88 3jwu n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jwu h PHE 554 N 0.00 1.15 -0.16 -2.67 3.04 -1.79 -2.09 116.94 114.41 3jwu h PHE 554 Ca 0.00 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.89 3jwu h PHE 554 Cb 0.35 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 3jwu h PHE 554 CO 0.00 0.85 0.11 1.57 -2.02 0.00 0.00 178.31 178.82 3jwu h LYS 555 N 1.12 0.17 0.00 1.11 2.10 -1.73 -2.14 116.57 117.20 3jwu h LYS 555 Ca 0.27 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3jwu h LYS 555 Cb 0.16 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3jwu h LYS 555 CO -0.03 0.11 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 3jwu n ASP 556 N -4.51 0.50 0.32 7.07 8.00 -0.79 -2.13 116.55 125.01 3jwu n ASP 556 Ca -0.00 0.58 0.20 0.00 0.71 0.00 0.00 54.79 56.28 3jwu n ASP 556 Cb 0.11 -0.70 1.08 0.00 -0.02 0.00 0.00 41.12 41.59 3jwu n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jwu h LEU 557 N 0.00 0.00 0.48 0.64 3.38 -1.45 -3.46 115.31 114.91 3jwu h LEU 557 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3jwu h LEU 557 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3jwu h LEU 557 CO 0.00 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.03 3jwu n GLY 558 N -1.13 0.45 3.82 0.83 0.00 -0.91 -5.02 105.19 103.23 3jwu n GLY 558 Ca -0.03 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 3jwu n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwu s LEU 559 N -1.29 4.39 0.15 0.99 1.43 -1.26 -5.00 118.68 118.09 3jwu s LEU 559 Ca 0.00 1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 54.36 3jwu s LEU 559 Cb 0.00 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3jwu s LEU 559 CO 0.00 0.10 0.27 -1.59 0.23 0.00 0.00 176.35 175.36 3jwu s LYS 560 N -1.77 1.10 0.13 1.70 -2.85 -1.26 -0.48 119.74 116.31 3jwu s LYS 560 Ca 0.39 -1.11 -0.05 0.00 -1.00 0.00 0.00 55.97 54.20 3jwu s LYS 560 Cb -0.17 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.95 3jwu s LYS 560 CO 0.21 -0.40 0.14 -0.46 0.10 0.00 0.00 175.35 174.94 3jwu s TRP 561 N -3.94 0.58 0.44 1.78 -0.11 -0.71 -4.91 118.94 112.07 3jwu s TRP 561 Ca 0.14 -0.98 -0.09 0.00 1.22 0.00 0.00 56.10 56.39 3jwu s TRP 561 Cb 0.03 -0.27 -0.05 0.00 -1.50 0.00 0.00 33.47 31.68 3jwu s TRP 561 CO -0.03 -0.58 0.79 1.52 -4.62 0.00 0.00 176.95 174.04 3jwu s TYR 562 N -3.98 3.51 -0.18 5.86 -0.85 -1.26 -0.27 117.35 120.17 3jwu s TYR 562 Ca 0.17 1.00 0.18 0.00 -0.52 0.00 0.00 57.07 57.90 3jwu s TYR 562 Cb 0.06 -2.43 -0.01 0.00 0.38 0.00 0.00 41.96 39.96 3jwu s TYR 562 CO -0.02 -0.20 1.11 0.78 -1.52 0.00 0.00 175.55 175.71 3jwu h GLY 563 N 0.85 0.00 -7.52 5.49 0.00 -1.56 -3.46 103.07 96.88 3jwu h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 3jwu h GLY 563 CO 0.63 0.00 -0.50 -2.27 0.00 0.00 0.00 176.54 174.40 3jwu s LEU 564 N -5.94 4.93 -0.29 3.11 2.96 -1.26 -4.50 118.68 117.68 3jwu s LEU 564 Ca 0.00 -1.37 -0.25 0.00 -0.22 0.00 0.00 54.13 52.29 3jwu s LEU 564 Cb 0.08 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3jwu s LEU 564 CO 0.78 -0.47 0.87 -2.16 -1.32 0.00 0.00 176.35 174.05 3jwu s PRO 565 N 1.43 4.04 -0.31 0.98 0.04 -1.26 -4.71 135.00 135.21 3jwu s PRO 565 Ca 0.02 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.83 3jwu s PRO 565 Cb -0.22 -3.71 0.11 0.00 0.04 0.00 0.00 34.50 30.72 3jwu s PRO 565 CO 0.03 -0.70 0.15 0.00 0.04 0.00 0.00 177.00 176.51 3jwu s ALA 566 N 3.11 0.91 0.02 8.56 0.00 -1.26 -2.42 121.76 130.68 3jwu s ALA 566 Ca 0.36 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 3jwu s ALA 566 Cb -0.14 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.43 3jwu s ALA 566 CO 0.12 -1.78 1.32 0.08 0.00 0.00 0.00 175.76 175.50 3jwu s VAL 567 N 1.71 3.82 0.00 0.00 1.01 0.10 -1.22 120.40 125.82 3jwu s VAL 567 Ca 0.12 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.34 3jwu s VAL 567 Cb -0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3jwu s VAL 567 CO -0.25 0.04 0.72 -1.54 0.00 0.00 0.00 175.10 174.07 3jwu n SER 568 N 4.78 1.37 -0.40 3.32 3.41 -0.02 -1.42 113.62 124.66 3jwu n SER 568 Ca 0.11 -1.50 0.03 0.00 -0.26 0.00 0.00 58.87 57.26 3jwu n SER 568 Cb 0.44 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.49 3jwu n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jwu n ASN 569 N -0.25 2.56 -4.96 4.04 0.23 -1.22 -4.34 115.26 111.32 3jwu n ASN 569 Ca 0.00 -1.99 -0.22 0.00 -0.53 0.00 0.00 54.58 51.84 3jwu n ASN 569 Cb 0.18 -0.14 0.02 0.00 -2.08 0.00 0.00 39.78 37.75 3jwu n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3jwu s MET 570 N -0.99 2.92 -0.12 -3.83 -1.94 -1.26 -4.24 119.30 109.84 3jwu s MET 570 Ca 0.14 -0.58 -0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3jwu s MET 570 Cb 0.08 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 34.35 3jwu s MET 570 CO 0.10 -0.39 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.45 3jwu s LEU 571 N -4.60 2.86 -0.28 -0.03 0.20 0.66 -4.36 118.68 113.13 3jwu s LEU 571 Ca 0.51 -0.25 -0.12 0.00 0.69 0.00 0.00 54.13 54.96 3jwu s LEU 571 Cb -0.10 -1.65 -0.05 0.00 -0.43 0.00 0.00 46.19 43.97 3jwu s LEU 571 CO 0.38 0.20 0.23 -0.22 -0.29 0.00 0.00 176.35 176.65 3jwu s LEU 572 N 0.13 4.02 -0.23 -0.68 2.96 -0.31 -0.40 118.68 124.18 3jwu s LEU 572 Ca -0.05 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 3jwu s LEU 572 Cb -0.15 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3jwu s LEU 572 CO 0.04 -0.08 0.08 -0.70 -1.32 0.00 0.00 176.35 174.37 3jwu s GLU 573 N 1.82 3.80 -0.11 1.98 2.12 0.14 -0.56 118.70 127.89 3jwu s GLU 573 Ca 0.09 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 3jwu s GLU 573 Cb -0.16 -3.31 0.04 0.00 0.26 0.00 0.00 34.13 30.96 3jwu s GLU 573 CO 0.11 -0.01 -0.01 0.42 -0.54 0.00 0.00 175.26 175.23 3jwu s ILE 574 N 1.16 0.55 -1.34 -3.70 1.01 -0.74 -1.90 121.20 116.24 3jwu s ILE 574 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 3jwu s ILE 574 Cb -0.14 -0.76 0.05 0.00 0.01 0.00 0.00 42.46 41.61 3jwu s ILE 574 CO 0.04 0.16 0.49 0.61 0.00 0.00 0.00 174.94 176.24 3jwu n GLY 575 N 5.08 -0.50 1.77 6.18 0.00 -1.26 -0.83 105.19 115.63 3jwu n GLY 575 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3jwu n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwu n GLY 576 N -1.24 1.73 3.83 -0.02 0.00 -1.26 -3.24 105.19 104.98 3jwu n GLY 576 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3jwu n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwu s LEU 577 N 0.00 4.24 -0.24 0.99 1.43 -0.01 -5.00 118.68 120.10 3jwu s LEU 577 Ca 0.00 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3jwu s LEU 577 Cb 0.00 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.48 3jwu s LEU 577 CO 0.00 -0.05 -0.10 -1.61 0.23 0.00 0.00 176.35 174.82 3jwu s GLU 578 N -2.33 2.73 -0.57 1.70 2.02 -1.26 -1.79 118.70 119.20 3jwu s GLU 578 Ca 0.47 -1.03 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 3jwu s GLU 578 Cb -0.14 -2.88 0.14 0.00 0.10 0.00 0.00 34.13 31.35 3jwu s GLU 578 CO 0.20 -0.40 0.52 -0.06 0.02 0.00 0.00 175.26 175.54 3jwu s PHE 579 N 1.27 3.34 -0.84 1.61 0.40 0.28 0.05 117.98 124.09 3jwu s PHE 579 Ca -0.01 -1.47 0.26 0.00 -0.60 0.00 0.00 56.93 55.11 3jwu s PHE 579 Cb -0.17 -3.76 0.98 0.00 0.51 0.00 0.00 43.02 40.58 3jwu s PHE 579 CO -0.06 -1.01 1.81 -1.13 0.70 0.00 0.00 175.22 175.52 3jwu n SER 580 N 5.01 0.42 -3.85 1.36 3.41 -1.26 -1.16 113.62 117.54 3jwu n SER 580 Ca -0.09 0.55 -0.29 0.00 -0.26 0.00 0.00 58.87 58.77 3jwu n SER 580 Cb 0.41 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.55 3jwu n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwu s ALA 581 N -3.07 1.64 -0.38 7.33 0.00 -1.19 -4.63 121.76 121.45 3jwu s ALA 581 Ca 0.11 -1.23 0.12 0.00 0.00 0.00 0.00 51.96 50.95 3jwu s ALA 581 Cb 0.15 -1.40 0.39 0.00 0.00 0.00 0.00 23.12 22.25 3jwu s ALA 581 CO 0.53 -1.27 1.05 0.00 0.00 0.00 0.00 175.76 176.07 3jwu n PRO 583 N -0.04 1.90 -4.23 0.00 -0.04 -1.16 -4.63 135.00 126.80 3jwu n PRO 583 Ca 0.09 0.68 -0.16 0.00 -0.04 0.00 0.00 63.50 64.07 3jwu n PRO 583 Cb 0.77 -2.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 3jwu n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jwu s PHE 584 N 0.24 1.28 0.04 0.54 -0.12 -0.51 -1.38 117.98 118.06 3jwu s PHE 584 Ca 0.73 -0.64 -0.06 0.00 -0.05 0.00 0.00 56.93 56.90 3jwu s PHE 584 Cb -0.70 -0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 41.01 3jwu s PHE 584 CO 0.46 0.10 0.12 -1.54 -0.05 0.00 0.00 175.22 174.31 3jwu s SER 585 N -2.70 0.14 0.00 1.98 1.04 0.35 -0.72 113.70 113.79 3jwu s SER 585 Ca 0.11 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3jwu s SER 585 Cb -0.02 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3jwu s SER 585 CO 0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3jwu n GLY 586 N 0.78 4.82 3.16 7.32 0.00 -1.01 -1.93 105.19 118.34 3jwu n GLY 586 Ca -0.19 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 3jwu n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jwu s TRP 587 N 3.77 0.87 0.32 1.61 -2.14 -1.26 -4.46 118.94 117.66 3jwu s TRP 587 Ca 0.00 -1.23 -0.23 0.00 2.66 0.00 0.00 56.10 57.30 3jwu s TRP 587 Cb 0.00 -0.47 -0.10 0.00 -3.10 0.00 0.00 33.47 29.81 3jwu s TRP 587 CO 0.00 -0.54 0.89 0.71 -2.66 0.00 0.00 176.95 175.35 3jwu s TYR 588 N -4.06 3.60 -0.04 1.66 1.51 -1.26 -4.91 117.35 113.85 3jwu s TYR 588 Ca 0.25 1.65 -0.18 0.00 -1.01 0.00 0.00 57.07 57.79 3jwu s TYR 588 Cb 0.07 -2.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.04 3jwu s TYR 588 CO 0.03 0.17 0.49 1.41 -1.11 0.00 0.00 175.55 176.53 3jwu s MET 589 N -2.29 4.20 0.30 -0.62 -2.45 -1.26 -1.16 119.30 116.02 3jwu s MET 589 Ca 0.51 0.52 0.04 0.00 -1.25 0.00 0.00 55.69 55.51 3jwu s MET 589 Cb -0.16 -3.34 0.69 0.00 1.25 0.00 0.00 34.83 33.28 3jwu s MET 589 CO 0.21 0.40 1.78 0.78 1.05 0.00 0.00 175.02 179.24 3jwu h GLY 590 N 5.70 1.72 2.00 2.11 0.00 -1.30 -1.00 103.07 112.31 3jwu h GLY 590 Ca -0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3jwu h GLY 590 CO 0.69 -0.04 -0.10 -0.91 0.00 0.00 0.00 176.54 176.18 3jwu h THR 591 N 0.76 0.62 -0.85 4.70 1.35 -1.94 0.12 112.91 117.67 3jwu h THR 591 Ca 0.56 -0.42 0.07 0.00 -0.55 0.00 0.00 66.41 66.07 3jwu h THR 591 Cb 0.83 1.26 -0.06 0.00 -1.73 0.00 0.00 68.15 68.45 3jwu h THR 591 CO -0.37 0.10 0.52 -0.33 -0.25 0.00 0.00 175.52 175.18 3jwu h GLU 592 N 0.00 0.91 0.00 4.72 5.08 -1.59 0.00 114.58 123.70 3jwu h GLU 592 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3jwu h GLU 592 Cb 0.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3jwu h GLU 592 CO 0.01 0.60 -0.48 0.82 -1.00 0.00 0.00 179.01 178.97 3jwu h ILE 593 N 0.93 1.12 -0.30 3.13 2.04 -1.49 -2.08 117.51 120.86 3jwu h ILE 593 Ca 0.38 -2.01 -0.17 0.00 1.00 0.00 0.00 64.86 64.06 3jwu h ILE 593 Cb 0.21 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3jwu h ILE 593 CO -0.19 0.38 -0.46 1.23 0.00 0.00 0.00 178.15 179.11 3jwu h GLY 594 N -1.00 0.93 0.00 5.37 0.00 -0.78 0.26 103.07 107.85 3jwu h GLY 594 Ca -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.14 3jwu h GLY 594 CO -0.07 0.93 -0.47 -2.08 0.00 0.00 0.00 176.54 174.86 3jwu h VAL 595 N 0.63 0.23 0.00 4.60 2.07 -1.21 -3.35 116.25 119.22 3jwu h VAL 595 Ca 0.03 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3jwu h VAL 595 Cb 1.06 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3jwu h VAL 595 CO 0.11 0.08 -0.01 0.03 0.02 0.00 0.00 177.57 177.80 3jwu h ARG 596 N -1.00 0.00 -0.78 1.57 2.47 -1.44 -1.79 114.38 113.41 3jwu h ARG 596 Ca -0.05 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3jwu h ARG 596 Cb 0.53 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 3jwu h ARG 596 CO -0.03 0.18 0.37 -0.44 0.56 0.00 0.00 179.97 180.61 3jwu h ASP 597 N -1.00 1.02 0.33 7.04 3.32 -1.23 -2.39 116.42 123.50 3jwu h ASP 597 Ca -0.00 -0.12 -0.32 0.00 0.02 0.00 0.00 57.03 56.61 3jwu h ASP 597 Cb 0.18 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3jwu h ASP 597 CO -0.00 0.86 -1.84 -1.22 -1.72 0.00 0.00 179.24 175.32 3jwu n TYR 598 N -4.32 1.11 0.20 4.55 0.53 0.07 -2.25 117.16 117.05 3jwu n TYR 598 Ca 0.08 0.32 0.05 0.00 -1.02 0.00 0.00 57.90 57.33 3jwu n TYR 598 Cb 0.14 -1.18 -0.07 0.00 -1.03 0.00 0.00 39.34 37.20 3jwu n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3jwu n ASP 600 N -1.60 1.41 0.12 0.00 10.43 -0.90 -4.65 116.55 121.36 3jwu n ASP 600 Ca -0.00 1.17 0.12 0.00 2.57 0.00 0.00 54.79 58.65 3jwu n ASP 600 Cb 0.22 -1.28 0.63 0.00 1.84 0.00 0.00 41.12 42.54 3jwu n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3jwu h ASN 601 N 2.52 0.06 -0.18 -2.24 -0.26 -1.93 -2.37 115.58 111.19 3jwu h ASN 601 Ca -0.41 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.33 3jwu h ASN 601 Cb 1.34 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 3jwu h ASN 601 CO 0.64 0.04 0.00 -1.20 -1.06 0.00 0.00 177.43 175.85 3jwu n SER 602 N -4.47 2.03 0.00 5.81 7.64 -1.26 -4.68 113.62 118.69 3jwu n SER 602 Ca 0.03 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.16 3jwu n SER 602 Cb 0.30 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3jwu n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jwu n ARG 603 N 0.57 1.47 0.24 1.43 5.12 -0.90 -4.18 116.66 120.41 3jwu n ARG 603 Ca 0.17 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.20 3jwu n ARG 603 Cb 0.40 0.00 0.59 0.00 -1.16 0.00 0.00 32.46 32.28 3jwu n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jwu h TYR 604 N 0.00 0.00 -5.93 -1.55 -1.99 -1.61 -3.41 116.97 102.48 3jwu h TYR 604 Ca 0.00 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.35 3jwu h TYR 604 Cb 0.00 0.00 0.10 0.00 2.00 0.00 0.00 36.73 38.83 3jwu h TYR 604 CO 0.00 0.18 -0.84 -1.71 -0.00 0.00 0.00 178.16 175.79 3jwu n ASN 605 N -3.51 -2.79 -0.65 3.88 4.05 0.03 -4.91 115.26 111.36 3jwu n ASN 605 Ca -0.01 -0.80 0.12 0.00 0.45 0.00 0.00 54.58 54.35 3jwu n ASN 605 Cb 0.34 -4.33 0.38 0.00 1.23 0.00 0.00 39.78 37.40 3jwu n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jwu n ILE 606 N -4.06 0.11 -0.07 -1.44 -5.35 -0.36 -4.52 119.36 103.67 3jwu n ILE 606 Ca -0.23 -0.37 -0.07 0.00 -0.27 0.00 0.00 62.75 61.81 3jwu n ILE 606 Cb 0.66 0.67 -0.01 0.00 -1.74 0.00 0.00 39.64 39.22 3jwu n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jwu h LEU 607 N 2.91 -0.48 0.21 7.28 3.38 -1.88 -1.43 115.31 125.30 3jwu h LEU 607 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3jwu h LEU 607 Cb 0.63 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3jwu h LEU 607 CO 0.00 -0.18 -0.39 -0.33 0.09 0.00 0.00 178.44 177.63 3jwu h GLU 608 N -0.10 -0.66 -0.80 1.13 5.08 -1.98 0.11 114.58 117.35 3jwu h GLU 608 Ca 0.15 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3jwu h GLU 608 Cb 0.33 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3jwu h GLU 608 CO -0.36 -0.44 0.50 1.49 -1.00 0.00 0.00 179.01 179.21 3jwu h GLU 609 N -0.68 0.92 -0.36 2.33 4.81 -1.80 0.49 114.58 120.29 3jwu h GLU 609 Ca 0.01 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3jwu h GLU 609 Cb 0.67 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3jwu h GLU 609 CO -0.17 0.61 0.07 0.28 -0.73 0.00 0.00 179.01 179.07 3jwu h VAL 610 N 0.95 1.23 -0.61 0.32 2.07 -1.09 -2.71 116.25 116.42 3jwu h VAL 610 Ca 0.34 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3jwu h VAL 610 Cb 0.09 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3jwu h VAL 610 CO -0.14 0.27 0.34 0.00 0.02 0.00 0.00 177.57 178.06 3jwu h ALA 611 N 0.92 1.46 0.11 1.67 0.00 0.07 -1.22 119.26 122.26 3jwu h ALA 611 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jwu h ALA 611 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3jwu h ALA 611 CO 0.00 0.45 -0.05 0.87 0.00 0.00 0.00 179.25 180.53 3jwu h LYS 612 N 0.84 -0.14 0.00 0.00 1.57 -0.86 -1.59 116.57 116.39 3jwu h LYS 612 Ca 0.22 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3jwu h LYS 612 Cb 0.01 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3jwu h LYS 612 CO -0.04 0.04 -0.11 0.87 -0.57 0.00 0.00 179.45 179.64 3jwu h LYS 613 N -0.30 0.00 -0.00 3.15 1.57 -1.13 0.59 116.57 120.44 3jwu h LYS 613 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3jwu h LYS 613 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3jwu h LYS 613 CO 0.02 0.11 -0.06 -1.33 -0.57 0.00 0.00 179.45 177.63 3jwu n MET 614 N -3.83 0.75 -3.68 3.15 2.81 -0.50 -4.94 117.12 110.88 3jwu n MET 614 Ca -0.02 -0.18 -0.25 0.00 -1.81 0.00 0.00 57.70 55.43 3jwu n MET 614 Cb 0.21 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.29 3jwu n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jwu n ASP 615 N -0.97 -5.85 -4.81 7.83 4.64 0.20 -4.97 116.55 112.61 3jwu n ASP 615 Ca 0.17 -0.61 -0.33 0.00 -1.38 0.00 0.00 54.79 52.64 3jwu n ASP 615 Cb 0.24 -4.74 -0.03 0.00 -1.04 0.00 0.00 41.12 35.55 3jwu n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3jwu s LEU 616 N -7.28 3.76 -0.52 -2.67 1.43 -0.64 -4.96 118.68 107.79 3jwu s LEU 616 Ca 0.59 1.82 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 3jwu s LEU 616 Cb -0.27 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.40 3jwu s LEU 616 CO 0.76 -0.77 1.69 -0.62 0.23 0.00 0.00 176.35 177.64 3jwu s ASP 617 N -2.33 5.72 0.00 2.29 3.68 -1.26 -4.84 116.67 119.93 3jwu s ASP 617 Ca 0.64 0.57 0.22 0.00 2.13 0.00 0.00 52.55 56.11 3jwu s ASP 617 Cb -0.14 -2.53 0.51 0.00 -1.45 0.00 0.00 42.92 39.30 3jwu s ASP 617 CO 0.24 -1.98 1.44 0.23 0.13 0.00 0.00 175.17 175.23 3jwu n MET 618 N 8.81 2.59 0.10 4.34 2.81 -1.26 -4.43 117.12 130.08 3jwu n MET 618 Ca 0.18 -2.42 -0.02 0.00 -1.81 0.00 0.00 57.70 53.63 3jwu n MET 618 Cb 0.50 -1.52 0.23 0.00 -0.71 0.00 0.00 33.22 31.72 3jwu n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jwu h ARG 619 N 4.21 0.21 -4.25 0.03 3.08 -2.04 -3.44 114.38 112.19 3jwu h ARG 619 Ca 0.00 -0.10 -0.36 0.00 0.07 0.00 0.00 59.98 59.59 3jwu h ARG 619 Cb 0.97 -0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.71 3jwu h ARG 619 CO 0.00 0.60 -0.76 -1.59 -1.07 0.00 0.00 179.97 177.15 3jwu s LYS 620 N -4.12 0.57 0.52 0.04 -2.85 -1.26 -5.02 119.74 107.62 3jwu s LYS 620 Ca -0.04 -0.17 0.25 0.00 -1.00 0.00 0.00 55.97 55.02 3jwu s LYS 620 Cb 0.13 -0.58 1.39 0.00 -2.06 0.00 0.00 37.83 36.71 3jwu s LYS 620 CO 0.77 0.05 1.98 1.79 0.10 0.00 0.00 175.35 180.04 3jwu h THR 621 N 5.41 0.72 0.00 3.79 1.35 -1.91 -2.18 112.91 120.09 3jwu h THR 621 Ca -0.33 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3jwu h THR 621 Cb 1.17 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3jwu h THR 621 CO 0.49 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.23 3jwu n SER 622 N -4.37 0.00 0.03 5.36 3.41 -1.26 -0.56 113.62 116.22 3jwu n SER 622 Ca 0.11 0.39 0.08 0.00 -0.26 0.00 0.00 58.87 59.19 3jwu n SER 622 Cb 0.64 -0.46 0.33 0.00 -0.26 0.00 0.00 64.21 64.46 3jwu n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwu n SER 623 N -1.46 0.13 -3.53 4.04 3.41 -0.82 -4.91 113.62 110.48 3jwu n SER 623 Ca 0.06 0.53 -0.26 0.00 -0.26 0.00 0.00 58.87 58.94 3jwu n SER 623 Cb 0.23 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3jwu n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwu n LEU 624 N -1.64 -2.45 0.09 1.04 4.77 0.28 -4.89 117.00 114.20 3jwu n LEU 624 Ca 0.03 -0.54 0.02 0.00 -0.03 0.00 0.00 56.01 55.49 3jwu n LEU 624 Cb 0.17 -2.61 0.37 0.00 -2.33 0.00 0.00 43.42 39.02 3jwu n LEU 624 CO 0.14 0.36 0.91 4.11 -1.33 0.00 0.00 177.39 181.58 3jwu h TRP 625 N -1.73 0.32 -0.35 -1.77 5.08 -1.81 -0.84 115.95 114.83 3jwu h TRP 625 Ca -0.53 -0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.32 3jwu h TRP 625 Cb 1.35 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 27.41 3jwu h TRP 625 CO 0.58 0.40 -0.11 0.87 -1.28 0.00 0.00 178.44 178.90 3jwu h LYS 626 N 0.29 0.69 -0.70 0.12 1.57 -1.90 -1.80 116.57 114.85 3jwu h LYS 626 Ca 0.06 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3jwu h LYS 626 Cb 0.35 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3jwu h LYS 626 CO 0.02 0.87 0.33 -0.44 -0.57 0.00 0.00 179.45 179.65 3jwu h ASP 627 N 0.48 0.93 0.06 0.86 5.19 -1.83 0.02 116.42 122.13 3jwu h ASP 627 Ca 0.09 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3jwu h ASP 627 Cb 0.62 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3jwu h ASP 627 CO 0.04 0.81 -0.03 1.56 -3.12 0.00 0.00 179.24 178.50 3jwu h GLN 628 N 0.98 -0.08 -0.89 3.56 4.20 -1.09 -2.44 115.11 119.35 3jwu h GLN 628 Ca 0.24 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 3jwu h GLN 628 Cb 0.13 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3jwu h GLN 628 CO -0.03 0.12 0.49 0.00 -0.67 0.00 0.00 178.83 178.74 3jwu h ALA 629 N 0.66 1.18 -0.41 3.87 0.00 -1.26 -2.65 119.26 120.65 3jwu h ALA 629 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3jwu h ALA 629 Cb 0.24 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3jwu h ALA 629 CO 0.01 0.66 0.14 1.25 0.00 0.00 0.00 179.25 181.31 3jwu h LEU 630 N 1.25 0.14 -0.50 0.00 5.85 -0.81 -1.08 115.31 120.15 3jwu h LEU 630 Ca 0.31 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 3jwu h LEU 630 Cb 0.02 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3jwu h LEU 630 CO -0.05 0.12 0.19 0.58 -0.34 0.00 0.00 178.44 178.93 3jwu h VAL 631 N 0.30 1.22 -0.87 1.05 2.07 -1.24 -2.55 116.25 116.23 3jwu h VAL 631 Ca 0.19 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3jwu h VAL 631 Cb 0.18 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3jwu h VAL 631 CO -0.20 0.26 0.57 -0.33 0.02 0.00 0.00 177.57 177.89 3jwu h GLU 632 N 0.67 1.08 -0.80 1.57 4.39 -0.99 -0.69 114.58 119.81 3jwu h GLU 632 Ca 0.17 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3jwu h GLU 632 Cb 0.22 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3jwu h GLU 632 CO -0.01 0.72 0.32 0.82 -1.16 0.00 0.00 179.01 179.70 3jwu h ILE 633 N 1.12 1.26 -0.06 3.13 2.04 -1.08 -1.62 117.51 122.30 3jwu h ILE 633 Ca 0.34 -0.83 -0.17 0.00 1.00 0.00 0.00 64.86 65.21 3jwu h ILE 633 Cb -0.03 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3jwu h ILE 633 CO -0.10 0.34 -0.70 0.78 0.00 0.00 0.00 178.15 178.46 3jwu h ASN 634 N 1.17 0.33 -0.31 1.72 2.35 -0.95 -0.99 115.58 118.90 3jwu h ASN 634 Ca 0.27 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3jwu h ASN 634 Cb 0.21 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3jwu h ASN 634 CO -0.02 0.93 0.13 0.40 -1.65 0.00 0.00 177.43 177.22 3jwu h ILE 635 N 0.19 0.96 -0.34 2.81 2.04 -0.97 -2.59 117.51 119.61 3jwu h ILE 635 Ca -0.02 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3jwu h ILE 635 Cb 1.25 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3jwu h ILE 635 CO 0.11 0.05 0.18 0.00 0.00 0.00 0.00 178.15 178.49 3jwu h ALA 636 N 1.17 0.42 -0.20 1.87 0.00 -0.94 -0.47 119.26 121.10 3jwu h ALA 636 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3jwu h ALA 636 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3jwu h ALA 636 CO -0.11 -0.19 0.09 0.28 0.00 0.00 0.00 179.25 179.32 3jwu h VAL 637 N 0.37 0.98 -0.34 0.00 2.07 -1.09 -0.40 116.25 117.83 3jwu h VAL 637 Ca 0.14 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3jwu h VAL 637 Cb 0.04 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3jwu h VAL 637 CO -0.09 0.04 0.06 -0.07 0.02 0.00 0.00 177.57 177.53 3jwu h LEU 638 N 0.20 0.54 -0.78 2.57 3.38 -1.28 -2.16 115.31 117.78 3jwu h LEU 638 Ca 0.08 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3jwu h LEU 638 Cb 0.03 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3jwu h LEU 638 CO -0.07 0.66 0.44 0.22 0.09 0.00 0.00 178.44 179.78 3jwu h TYR 639 N 0.40 0.81 -0.24 1.13 3.20 -0.85 -0.99 116.97 120.43 3jwu h TYR 639 Ca 0.10 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3jwu h TYR 639 Cb 0.34 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3jwu h TYR 639 CO 0.02 0.36 -0.20 0.77 -1.64 0.00 0.00 178.16 177.47 3jwu h SER 640 N 0.78 0.60 -0.21 -2.11 0.02 -0.79 -1.18 113.55 110.66 3jwu h SER 640 Ca 0.36 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3jwu h SER 640 Cb 0.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3jwu h SER 640 CO -0.21 0.93 0.10 -0.26 -1.14 0.00 0.00 176.83 176.24 3jwu h PHE 641 N 0.28 0.31 -0.51 3.45 -1.00 -1.18 -2.37 116.94 115.92 3jwu h PHE 641 Ca 0.04 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 3jwu h PHE 641 Cb 0.74 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 3jwu h PHE 641 CO 0.07 0.32 0.22 1.96 -1.61 0.00 0.00 178.31 179.28 3jwu h GLN 642 N 0.21 0.74 -0.37 1.51 4.20 -1.16 -0.43 115.11 119.80 3jwu h GLN 642 Ca 0.07 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3jwu h GLN 642 Cb 0.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3jwu h GLN 642 CO -0.01 0.64 0.25 0.77 -0.67 0.00 0.00 178.83 179.81 3jwu h SER 643 N 0.68 0.43 -0.25 1.46 0.02 -1.20 -2.05 113.55 112.63 3jwu h SER 643 Ca 0.17 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3jwu h SER 643 Cb 0.16 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3jwu h SER 643 CO -0.02 0.31 0.00 0.47 -1.14 0.00 0.00 176.83 176.46 3jwu n ASP 644 N -4.48 2.54 -3.28 3.07 8.00 -0.89 -4.95 116.55 116.56 3jwu n ASP 644 Ca 0.03 -1.85 -0.22 0.00 0.71 0.00 0.00 54.79 53.46 3jwu n ASP 644 Cb 0.06 -0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.07 3jwu n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jwu n LYS 645 N 0.90 -7.05 -4.03 -1.24 5.02 -0.40 -4.99 118.16 106.38 3jwu n LYS 645 Ca 0.17 0.77 -0.35 0.00 -2.02 0.00 0.00 58.31 56.88 3jwu n LYS 645 Cb 0.47 -5.59 -0.11 0.00 -0.02 0.00 0.00 35.03 29.78 3jwu n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jwu s VAL 646 N -3.28 4.37 0.14 -0.18 1.01 -0.31 -4.26 120.40 117.89 3jwu s VAL 646 Ca 0.51 -0.17 -0.34 0.00 0.00 0.00 0.00 61.98 61.98 3jwu s VAL 646 Cb -0.23 -2.98 -0.14 0.00 0.00 0.00 0.00 36.38 33.03 3jwu s VAL 646 CO 0.64 0.43 1.59 0.41 0.00 0.00 0.00 175.10 178.16 3jwu n THR 647 N 4.03 0.04 -3.66 3.92 -1.04 -0.31 -4.25 114.28 113.00 3jwu n THR 647 Ca -0.17 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 3jwu n THR 647 Cb 0.52 -1.54 -0.07 0.00 -1.82 0.00 0.00 70.33 67.42 3jwu n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jwu s ILE 648 N 1.11 0.05 -0.02 12.58 2.07 -1.26 -4.30 121.20 131.42 3jwu s ILE 648 Ca 0.80 -0.42 0.06 0.00 -1.41 0.00 0.00 60.65 59.68 3jwu s ILE 648 Cb -0.68 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 40.99 3jwu s ILE 648 CO 0.39 -0.23 -0.20 0.54 -1.91 0.00 0.00 174.94 173.53 3jwu s VAL 649 N -2.21 1.56 0.65 4.00 0.11 -0.31 -5.01 120.40 119.19 3jwu s VAL 649 Ca -0.07 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 3jwu s VAL 649 Cb -0.01 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.56 3jwu s VAL 649 CO -0.00 0.44 0.98 1.51 -3.33 0.00 0.00 175.10 174.70 3jwu s ASP 650 N -0.36 5.32 0.42 3.54 -4.77 -1.26 -0.81 116.67 118.74 3jwu s ASP 650 Ca 0.05 0.73 0.21 0.00 -3.30 0.00 0.00 52.55 50.24 3jwu s ASP 650 Cb -0.09 -1.58 0.89 0.00 -1.09 0.00 0.00 42.92 41.06 3jwu s ASP 650 CO -0.00 -1.29 1.83 1.12 0.70 0.00 0.00 175.17 177.53 3jwu h HIS 651 N -0.41 0.00 0.09 2.11 2.07 -1.98 -1.72 115.15 115.31 3jwu h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3jwu h HIS 651 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 3jwu h HIS 651 CO 0.44 0.29 -0.04 0.45 -3.07 0.00 0.00 177.93 175.99 3jwu h HIS 652 N 0.00 -0.12 -0.39 6.12 3.86 -1.95 -2.57 115.15 120.10 3jwu h HIS 652 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3jwu h HIS 652 Cb 0.73 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 3jwu h HIS 652 CO 0.00 0.31 0.13 1.03 0.86 0.00 0.00 177.93 180.26 3jwu h SER 653 N -0.58 0.56 -0.62 2.45 0.87 -1.94 -1.59 113.55 112.70 3jwu h SER 653 Ca -0.01 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 3jwu h SER 653 Cb 0.47 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3jwu h SER 653 CO 0.02 0.61 0.25 0.00 -0.53 0.00 0.00 176.83 177.18 3jwu h ALA 654 N 0.98 1.21 -0.08 6.23 0.00 -1.38 -0.28 119.26 125.94 3jwu h ALA 654 Ca 0.13 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 3jwu h ALA 654 Cb 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jwu h ALA 654 CO -0.01 0.57 -0.75 1.79 0.00 0.00 0.00 179.25 180.85 3jwu h THR 655 N 0.94 1.32 -0.39 0.00 1.35 -1.36 -0.69 112.91 114.09 3jwu h THR 655 Ca 0.22 -2.02 0.05 0.00 -0.55 0.00 0.00 66.41 64.11 3jwu h THR 655 Cb 0.20 2.23 -0.04 0.00 -1.73 0.00 0.00 68.15 68.80 3jwu h THR 655 CO -0.02 0.62 0.13 -0.08 -0.25 0.00 0.00 175.52 175.92 3jwu h GLU 656 N 0.30 0.27 -0.81 4.72 4.81 -1.08 -1.87 114.58 120.93 3jwu h GLU 656 Ca -0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3jwu h GLU 656 Cb 1.40 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 3jwu h GLU 656 CO 0.15 0.18 0.51 0.77 -0.73 0.00 0.00 179.01 179.90 3jwu h SER 657 N 0.28 0.94 -0.93 1.04 0.02 -1.01 -2.73 113.55 111.16 3jwu h SER 657 Ca 0.18 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3jwu h SER 657 Cb 0.17 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3jwu h SER 657 CO -0.19 0.71 0.62 0.15 -1.14 0.00 0.00 176.83 176.97 3jwu h PHE 658 N 1.10 1.15 -0.45 3.45 3.57 -0.76 -0.49 116.94 124.52 3jwu h PHE 658 Ca 0.29 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 3jwu h PHE 658 Cb -0.09 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.24 3jwu h PHE 658 CO -0.01 0.70 0.18 0.82 -2.23 0.00 0.00 178.31 177.76 3jwu h ILE 659 N 1.22 1.20 -0.37 1.41 1.08 -1.06 0.15 117.51 121.14 3jwu h ILE 659 Ca 0.36 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 3jwu h ILE 659 Cb -0.07 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 3jwu h ILE 659 CO -0.09 0.23 0.20 0.11 -0.69 0.00 0.00 178.15 177.91 3jwu h LYS 660 N 0.58 0.40 -0.40 2.37 1.57 -1.24 0.12 116.57 119.97 3jwu h LYS 660 Ca 0.15 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3jwu h LYS 660 Cb 0.20 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3jwu h LYS 660 CO -0.01 0.26 0.18 1.25 -0.57 0.00 0.00 179.45 180.56 3jwu h HIS 661 N 0.41 0.33 -0.52 -1.35 2.76 -0.80 -0.88 115.15 115.10 3jwu h HIS 661 Ca 0.15 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3jwu h HIS 661 Cb 0.03 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3jwu h HIS 661 CO -0.09 0.16 0.09 1.98 -1.30 0.00 0.00 177.93 178.78 3jwu h MET 662 N 0.37 0.86 -0.56 5.26 1.85 -0.30 0.58 114.93 122.99 3jwu h MET 662 Ca 0.17 -0.23 -0.02 0.00 -0.61 0.00 0.00 59.70 59.02 3jwu h MET 662 Cb 0.11 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.01 3jwu h MET 662 CO -0.14 0.84 0.27 0.93 -0.40 0.00 0.00 176.91 178.41 3jwu h GLU 663 N 0.75 0.81 -0.19 0.39 5.08 -0.75 -1.49 114.58 119.17 3jwu h GLU 663 Ca 0.16 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3jwu h GLU 663 Cb 0.39 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3jwu h GLU 663 CO 0.01 0.67 0.01 -0.97 -1.00 0.00 0.00 179.01 177.73 3jwu h ASN 664 N 0.77 -0.05 -0.56 1.42 -1.24 -0.55 -1.88 115.58 113.50 3jwu h ASN 664 Ca 0.19 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.29 3jwu h ASN 664 Cb 0.12 0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.19 3jwu h ASN 664 CO -0.02 0.00 0.29 -0.33 -1.29 0.00 0.00 177.43 176.08 3jwu h GLU 665 N 0.08 0.54 -0.66 6.67 4.39 -0.70 0.16 114.58 125.06 3jwu h GLU 665 Ca 0.09 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.79 3jwu h GLU 665 Cb 0.10 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3jwu h GLU 665 CO -0.14 0.35 0.41 1.88 -1.16 0.00 0.00 179.01 180.35 3jwu h TYR 666 N 0.55 0.76 -0.27 4.33 -1.99 -1.09 0.64 116.97 119.91 3jwu h TYR 666 Ca 0.25 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.94 3jwu h TYR 666 Cb 0.15 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3jwu h TYR 666 CO -0.10 0.43 -0.07 0.00 -0.00 0.00 0.00 178.16 178.42 3jwu h ARG 667 N 0.80 0.53 0.00 4.88 -0.00 -0.55 -1.92 114.38 118.11 3jwu h ARG 667 Ca 0.26 -0.21 -0.22 0.00 -0.50 0.00 0.00 59.98 59.32 3jwu h ARG 667 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 3jwu h ARG 667 CO -0.11 0.75 -1.92 0.00 0.00 0.00 0.00 179.97 178.69 3jwu n ARG 669 N -2.72 2.70 -0.66 0.00 0.63 0.22 -5.00 116.66 111.83 3jwu n ARG 669 Ca -0.18 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 3jwu n ARG 669 Cb 0.92 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.80 3jwu n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jwu n GLY 670 N 1.47 0.73 0.00 5.14 0.00 -0.72 -4.61 105.19 107.21 3jwu n GLY 670 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3jwu n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwu n GLY 671 N -2.42 1.88 2.84 -0.02 0.00 -1.16 -0.24 105.19 106.08 3jwu n GLY 671 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 3jwu n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwu s PRO 673 N 2.45 4.20 -0.11 0.00 0.04 -1.26 -4.61 135.00 135.71 3jwu s PRO 673 Ca 0.10 2.42 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 3jwu s PRO 673 Cb -0.14 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.31 3jwu s PRO 673 CO -0.26 -0.60 0.28 0.00 0.04 0.00 0.00 177.00 176.46 3jwu s ALA 674 N 0.79 -0.69 -0.55 8.56 0.00 0.27 -4.30 121.76 125.84 3jwu s ALA 674 Ca 0.68 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 3jwu s ALA 674 Cb -0.45 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.33 3jwu s ALA 674 CO 0.36 -0.14 0.44 0.34 0.00 0.00 0.00 175.76 176.76 3jwu s ASP 675 N 0.27 5.87 0.26 0.00 -1.08 0.08 -3.60 116.67 118.47 3jwu s ASP 675 Ca -0.01 -2.12 -0.02 0.00 -0.52 0.00 0.00 52.55 49.88 3jwu s ASP 675 Cb -0.03 -2.05 0.52 0.00 -1.46 0.00 0.00 42.92 39.90 3jwu s ASP 675 CO -0.01 -0.66 1.73 -0.25 0.52 0.00 0.00 175.17 176.50 3jwu h TRP 676 N 8.25 0.60 -0.71 -5.34 7.01 -1.93 0.15 115.95 123.98 3jwu h TRP 676 Ca -0.16 0.04 0.17 0.00 2.11 0.00 0.00 58.89 61.05 3jwu h TRP 676 Cb 1.06 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 3jwu h TRP 676 CO 0.72 0.08 0.49 0.28 -2.79 0.00 0.00 178.44 177.21 3jwu h VAL 677 N 0.49 0.73 0.01 2.65 2.07 -1.92 -1.91 116.25 118.37 3jwu h VAL 677 Ca 0.45 -0.07 -0.37 0.00 0.82 0.00 0.00 66.70 67.53 3jwu h VAL 677 Cb 0.70 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3jwu h VAL 677 CO -0.41 0.04 -2.32 0.79 0.02 0.00 0.00 177.57 175.68 3jwu n TRP 678 N -4.42 0.23 -0.14 1.57 7.02 -0.05 -4.51 117.44 117.14 3jwu n TRP 678 Ca 0.14 0.06 -0.11 0.00 -1.02 0.00 0.00 57.50 56.57 3jwu n TRP 678 Cb 0.63 -1.04 -0.01 0.00 -2.42 0.00 0.00 31.31 28.47 3jwu n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jwu h ILE 679 N 0.01 1.28 -2.68 -0.99 1.08 -0.49 -3.43 117.51 112.28 3jwu h ILE 679 Ca -0.52 -1.29 -0.53 0.00 -0.39 0.00 0.00 64.86 62.12 3jwu h ILE 679 Cb 2.06 1.21 0.02 0.00 -3.07 0.00 0.00 36.82 37.04 3jwu h ILE 679 CO -0.01 0.44 1.00 -0.69 -0.69 0.00 0.00 178.15 178.20 3jwu s VAL 680 N -4.70 3.00 0.77 1.67 1.01 -0.75 -4.92 120.40 116.47 3jwu s VAL 680 Ca -0.12 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 3jwu s VAL 680 Cb 0.11 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.25 3jwu s VAL 680 CO 0.84 -0.00 1.22 -2.84 0.00 0.00 0.00 175.10 174.32 3jwu s PRO 681 N 2.61 1.88 0.00 2.72 0.02 -1.26 -4.92 135.00 136.05 3jwu s PRO 681 Ca 0.74 1.79 0.29 0.00 0.02 0.00 0.00 61.00 63.84 3jwu s PRO 681 Cb -0.40 -1.80 1.65 0.00 0.02 0.00 0.00 34.50 33.97 3jwu s PRO 681 CO 0.32 -2.04 2.07 -0.35 -0.33 0.00 0.00 177.00 176.68 3jwu n PRO 682 N -2.98 1.07 -4.19 5.54 -0.04 -1.26 -4.26 135.00 128.88 3jwu n PRO 682 Ca 0.14 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 3jwu n PRO 682 Cb 0.50 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 3jwu n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jwu s MET 683 N -2.00 0.89 -1.42 0.54 0.23 -1.26 -4.91 119.30 111.37 3jwu s MET 683 Ca 0.43 -1.31 -0.04 0.00 -1.03 0.00 0.00 55.69 53.73 3jwu s MET 683 Cb 0.20 -0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.12 3jwu s MET 683 CO 0.33 0.03 0.33 0.43 -2.03 0.00 0.00 175.02 174.11 3jwu n SER 684 N 0.08 -5.03 -0.15 -1.18 7.64 -1.26 -4.87 113.62 108.86 3jwu n SER 684 Ca -0.13 -0.15 -0.04 0.00 1.01 0.00 0.00 58.87 59.56 3jwu n SER 684 Cb 0.60 -4.14 -0.03 0.00 -1.01 0.00 0.00 64.21 59.62 3jwu n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwu n GLY 685 N -1.18 -2.38 0.00 0.23 0.00 -1.26 -1.88 105.19 98.71 3jwu n GLY 685 Ca -0.12 0.69 0.12 0.00 0.00 0.00 0.00 46.02 46.71 3jwu n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwu n SER 686 N -3.76 0.00 -0.62 1.61 3.41 -1.26 -1.62 113.62 111.38 3jwu n SER 686 Ca 0.01 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 3jwu n SER 686 Cb 0.09 -0.34 0.27 0.00 -0.26 0.00 0.00 64.21 63.97 3jwu n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jwu n ILE 687 N -1.34 0.35 -4.28 -1.33 -5.35 -0.79 -4.82 119.36 101.81 3jwu n ILE 687 Ca 0.11 -0.42 -0.30 0.00 -0.27 0.00 0.00 62.75 61.86 3jwu n ILE 687 Cb 0.22 0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 38.34 3jwu n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jwu s THR 688 N -1.65 3.58 0.02 7.28 -4.23 -0.64 -5.02 115.64 114.98 3jwu s THR 688 Ca 0.28 -1.07 0.31 0.00 -1.18 0.00 0.00 61.69 60.03 3jwu s THR 688 Cb 0.15 -2.65 0.36 0.00 1.34 0.00 0.00 72.50 71.71 3jwu s THR 688 CO 0.22 0.19 1.91 1.55 -0.54 0.00 0.00 174.62 177.95 3jwu h PRO 689 N 3.83 0.00 0.00 3.99 0.13 -1.87 -2.88 132.00 135.20 3jwu h PRO 689 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3jwu h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jwu h PRO 689 CO 0.54 0.03 -0.26 -0.39 -0.23 0.00 0.00 178.00 177.70 3jwu h VAL 690 N 0.00 1.08 -0.93 1.56 -1.51 -1.89 -2.79 116.25 111.77 3jwu h VAL 690 Ca -0.00 -0.90 0.10 0.00 -1.23 0.00 0.00 66.70 64.66 3jwu h VAL 690 Cb 0.62 1.50 -0.07 0.00 -2.13 0.00 0.00 31.29 31.21 3jwu h VAL 690 CO 0.00 0.25 0.60 0.15 -1.23 0.00 0.00 177.57 177.34 3jwu h PHE 691 N 0.00 1.03 -0.14 5.19 3.57 -1.70 -2.38 116.94 122.50 3jwu h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jwu h PHE 691 Cb 0.48 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3jwu h PHE 691 CO 0.00 0.46 0.00 0.72 -2.23 0.00 0.00 178.31 177.26 3jwu n HIS 692 N -4.54 0.18 -3.61 0.41 8.25 -1.06 -4.82 115.22 110.03 3jwu n HIS 692 Ca 0.16 -0.09 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 3jwu n HIS 692 Cb 0.31 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 3jwu n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jwu s GLN 693 N -1.82 3.48 0.40 -0.41 2.00 -0.90 -0.76 119.66 121.65 3jwu s GLN 693 Ca 0.33 -0.64 -0.26 0.00 -2.00 0.00 0.00 55.36 52.79 3jwu s GLN 693 Cb 0.18 -3.66 -0.09 0.00 0.80 0.00 0.00 33.01 30.24 3jwu s GLN 693 CO 0.27 -0.39 1.36 -1.21 -0.50 0.00 0.00 175.29 174.82 3jwu s GLU 694 N 1.67 3.97 0.10 1.67 2.02 -0.66 -4.99 118.70 122.47 3jwu s GLU 694 Ca 0.05 2.29 0.03 0.00 0.02 0.00 0.00 54.97 57.36 3jwu s GLU 694 Cb -0.17 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 3jwu s GLU 694 CO 0.08 -0.54 -0.08 -1.64 0.02 0.00 0.00 175.26 173.10 3jwu s MET 695 N -2.21 0.83 -0.10 1.61 -1.94 -1.26 -4.63 119.30 111.59 3jwu s MET 695 Ca 0.56 -1.23 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 3jwu s MET 695 Cb -0.41 -0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.08 3jwu s MET 695 CO 0.53 0.03 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.82 3jwu s LEU 696 N -2.71 2.10 -0.16 -0.03 1.43 -1.26 -4.98 118.68 113.07 3jwu s LEU 696 Ca 0.08 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3jwu s LEU 696 Cb 0.01 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3jwu s LEU 696 CO -0.02 0.16 -0.04 0.21 0.23 0.00 0.00 176.35 176.88 3jwu s ASN 697 N 0.36 4.67 0.19 2.29 3.04 -1.24 -0.57 114.94 123.70 3jwu s ASN 697 Ca -0.18 -0.18 -0.19 0.00 0.04 0.00 0.00 52.86 52.34 3jwu s ASN 697 Cb -0.18 -1.76 0.04 0.00 -1.54 0.00 0.00 41.25 37.80 3jwu s ASN 697 CO 0.09 0.14 0.56 -0.72 -3.04 0.00 0.00 177.10 174.13 3jwu s TYR 698 N 0.52 -0.23 -0.29 0.43 -0.85 -1.26 -4.97 117.35 110.70 3jwu s TYR 698 Ca -0.04 -0.09 -0.07 0.00 -0.52 0.00 0.00 57.07 56.35 3jwu s TYR 698 Cb -0.14 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.66 3jwu s TYR 698 CO 0.03 -0.93 0.08 1.03 -1.52 0.00 0.00 175.55 174.24 3jwu s ARG 699 N -3.85 3.24 0.12 -3.49 0.52 -1.26 -4.83 118.95 109.40 3jwu s ARG 699 Ca 0.07 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 3jwu s ARG 699 Cb -0.02 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3jwu s ARG 699 CO -0.04 -0.38 -0.01 -0.51 0.02 0.00 0.00 175.30 174.37 3jwu s LEU 700 N 1.53 3.36 0.17 2.53 1.43 -1.26 -4.03 118.68 122.41 3jwu s LEU 700 Ca 0.04 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3jwu s LEU 700 Cb -0.17 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3jwu s LEU 700 CO 0.03 0.15 -0.15 0.42 0.23 0.00 0.00 176.35 177.03 3jwu s THR 701 N -1.42 2.93 0.66 5.49 -4.23 -1.26 -4.19 115.64 113.62 3jwu s THR 701 Ca 0.26 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 58.89 3jwu s THR 701 Cb -0.11 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 3jwu s THR 701 CO 0.18 -0.07 0.86 -2.65 -0.54 0.00 0.00 174.62 172.40 3jwu n PRO 702 N 0.25 0.63 -3.84 3.99 -0.02 -1.26 -5.01 135.00 129.74 3jwu n PRO 702 Ca -0.12 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3jwu n PRO 702 Cb 0.55 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 3jwu n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jwu s SER 703 N -1.42 0.01 -0.09 2.55 1.04 -0.80 -3.82 113.70 111.17 3jwu s SER 703 Ca 0.73 -0.31 -0.15 0.00 0.48 0.00 0.00 55.95 56.70 3jwu s SER 703 Cb -0.38 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 3jwu s SER 703 CO 0.50 -0.53 0.39 -0.36 0.98 0.00 0.00 173.24 174.22 3jwu s PHE 704 N -2.36 3.58 0.13 5.02 0.40 -1.26 -0.69 117.98 122.81 3jwu s PHE 704 Ca -0.07 0.84 0.07 0.00 -0.60 0.00 0.00 56.93 57.18 3jwu s PHE 704 Cb -0.02 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 3jwu s PHE 704 CO -0.03 0.38 -0.17 -1.21 0.70 0.00 0.00 175.22 174.90 3jwu s GLU 705 N -0.10 1.13 0.61 0.44 0.41 0.46 -4.94 118.70 116.72 3jwu s GLU 705 Ca 0.22 -1.29 -0.15 0.00 -0.41 0.00 0.00 54.97 53.35 3jwu s GLU 705 Cb -0.15 -1.13 -0.03 0.00 -1.78 0.00 0.00 34.13 31.04 3jwu s GLU 705 CO 0.10 0.23 1.06 0.71 -0.49 0.00 0.00 175.26 176.87 3jwu s TYR 706 N -1.95 2.97 0.05 1.61 4.12 -1.26 -0.24 117.35 122.65 3jwu s TYR 706 Ca 0.11 1.50 -0.04 0.00 0.02 0.00 0.00 57.07 58.67 3jwu s TYR 706 Cb -0.06 -3.00 -0.02 0.00 -1.52 0.00 0.00 41.96 37.35 3jwu s TYR 706 CO 0.05 -1.18 0.05 1.14 0.02 0.00 0.00 175.55 175.62 3jwu s GLN 707 N -4.20 0.63 0.51 -0.62 -2.07 -1.26 -4.75 119.66 107.90 3jwu s GLN 707 Ca 0.63 -1.01 -0.22 0.00 -1.82 0.00 0.00 55.36 52.95 3jwu s GLN 707 Cb -0.16 0.23 -0.06 0.00 -1.09 0.00 0.00 33.01 31.94 3jwu s GLN 707 CO 0.40 -0.15 1.23 -1.25 -1.32 0.00 0.00 175.29 174.20 3jwu s PRO 708 N -3.40 3.41 0.21 9.60 0.04 -1.26 -4.91 135.00 138.68 3jwu s PRO 708 Ca 0.02 1.93 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 3jwu s PRO 708 Cb 0.04 -2.26 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 3jwu s PRO 708 CO -0.08 -0.88 1.34 -0.25 0.04 0.00 0.00 177.00 177.17 3jwu n ASP 709 N -0.88 2.33 0.20 6.66 8.00 -1.26 -4.87 116.55 126.72 3jwu n ASP 709 Ca 0.10 1.14 0.06 0.00 0.71 0.00 0.00 54.79 56.79 3jwu n ASP 709 Cb 0.47 -1.36 0.41 0.00 -0.02 0.00 0.00 41.12 40.63 3jwu n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jwu h PRO 710 N 4.08 0.00 -0.04 -0.24 0.13 -1.91 -1.66 132.00 132.36 3jwu h PRO 710 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3jwu h PRO 710 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3jwu h PRO 710 CO 0.75 0.33 0.04 0.11 -0.23 0.00 0.00 178.00 179.00 3jwu h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.11 115.95 115.76 3jwu h TRP 711 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.88 3jwu h TRP 711 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.95 3jwu h TRP 711 CO 0.00 0.00 -0.44 -0.91 0.09 0.00 0.00 178.44 177.18 3jwu h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.66 -3.38 115.58 113.01 3jwu h ASN 712 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3jwu h ASN 712 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3jwu h ASN 712 CO -0.00 0.44 -1.20 0.35 -1.65 0.00 0.00 177.43 175.37 3jwu n THR 713 N -3.50 0.07 -1.78 2.81 -2.24 -0.59 -5.06 114.28 103.98 3jwu n THR 713 Ca 0.00 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 3jwu n THR 713 Cb 0.57 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 3jwu n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3jwu s HIS 714 N -2.22 2.65 -0.42 4.78 5.04 0.30 -4.97 115.29 120.45 3jwu s HIS 714 Ca -0.02 0.98 -0.19 0.00 -1.54 0.00 0.00 55.06 54.29 3jwu s HIS 714 Cb 0.02 -4.05 0.02 0.00 0.04 0.00 0.00 32.58 28.61 3jwu s HIS 714 CO 0.16 -3.31 0.54 0.08 -2.34 0.00 0.00 174.74 169.87 3jwu s VAL 715 N -0.60 4.96 0.03 0.89 1.01 -1.26 -5.02 120.40 120.41 3jwu s VAL 715 Ca 0.58 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 3jwu s VAL 715 Cb -0.47 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 3jwu s VAL 715 CO 0.56 -0.48 1.28 0.26 0.00 0.00 0.00 175.10 176.72 3jwu s TRP 716 N 2.48 3.20 -0.16 5.22 0.52 -1.26 -4.87 118.94 124.08 3jwu s TRP 716 Ca 0.18 1.11 -0.03 0.00 0.02 0.00 0.00 56.10 57.38 3jwu s TRP 716 Cb -0.15 -3.52 -0.24 0.00 -1.15 0.00 0.00 33.47 28.41 3jwu s TRP 716 CO 0.16 -1.74 0.21 1.63 0.02 0.00 0.00 176.95 177.23 3jwu n LYS 717 N 4.58 0.72 0.00 4.98 5.02 -1.26 -5.12 118.16 127.09 3jwu n LYS 717 Ca 0.11 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 3jwu n LYS 717 Cb 0.45 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3jwu n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29