#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 3.32 -0.08 -0.14 0.40 -1.26 -4.82 117.98 115.40 3jwu s PHE 300 Ca 0.00 1.01 0.01 0.00 -0.60 0.00 0.00 56.93 57.35 3jwu s PHE 300 Cb 0.00 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 3jwu s PHE 300 CO 0.00 -0.33 -0.09 -0.51 0.70 0.00 0.00 175.22 175.00 3jwu s LEU 301 N 2.52 3.03 -0.12 -0.37 1.43 -0.83 -4.91 118.68 119.42 3jwu s LEU 301 Ca 0.31 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 3jwu s LEU 301 Cb -0.16 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3jwu s LEU 301 CO 0.09 0.31 0.11 -0.54 0.23 0.00 0.00 176.35 176.54 3jwu s LYS 302 N -0.47 3.41 -0.03 1.70 1.02 -1.26 0.19 119.74 124.30 3jwu s LYS 302 Ca 0.07 -0.20 0.08 0.00 0.02 0.00 0.00 55.97 55.93 3jwu s LYS 302 Cb -0.12 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 3jwu s LYS 302 CO 0.02 0.71 -0.26 0.14 -0.92 0.00 0.00 175.35 175.05 3jwu s VAL 303 N -0.86 2.08 0.02 3.17 -7.23 0.31 -4.96 120.40 112.93 3jwu s VAL 303 Ca 0.14 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3jwu s VAL 303 Cb -0.12 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3jwu s VAL 303 CO 0.03 0.58 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.42 3jwu s LYS 304 N -0.53 2.01 -0.33 4.82 2.20 -1.26 -0.45 119.74 126.20 3jwu s LYS 304 Ca 0.08 -0.99 -0.12 0.00 -0.36 0.00 0.00 55.97 54.57 3jwu s LYS 304 Cb -0.11 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.10 3jwu s LYS 304 CO -0.00 0.54 0.23 1.21 -0.36 0.00 0.00 175.35 176.97 3jwu s ASN 305 N -1.11 6.01 0.00 1.43 3.84 -0.41 -1.40 114.94 123.30 3jwu s ASN 305 Ca 0.12 -0.39 0.25 0.00 0.21 0.00 0.00 52.86 53.05 3jwu s ASN 305 Cb -0.10 -2.12 1.10 0.00 -0.55 0.00 0.00 41.25 39.58 3jwu s ASN 305 CO 0.02 -0.21 1.80 0.79 -2.79 0.00 0.00 177.10 176.71 3jwu n TRP 306 N 5.09 0.00 -0.01 0.43 7.02 -0.44 0.45 117.44 129.99 3jwu n TRP 306 Ca -0.13 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.14 3jwu n TRP 306 Cb 0.50 -0.45 -0.14 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.45 0.74 -0.00 -0.99 2.13 -1.26 -4.58 120.64 115.23 3jwu n GLU 307 Ca 0.07 0.27 0.07 0.00 0.66 0.00 0.00 57.16 58.23 3jwu n GLU 307 Cb 0.27 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 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 -3.52 0.00 -0.77 6.31 -2.24 -1.16 -4.99 114.28 107.91 3jwu n THR 308 Ca -0.33 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3jwu n THR 308 Cb 1.03 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.48 -1.89 -4.69 3.42 8.00 0.17 -4.96 116.55 115.12 3jwu n ASP 309 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3jwu n ASP 309 Cb 0.26 -2.15 -0.03 0.00 -0.02 0.00 0.00 41.12 39.18 3jwu n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jwu s VAL 310 N -1.60 2.87 -0.14 2.53 1.01 -1.24 -4.77 120.40 119.05 3jwu s VAL 310 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3jwu s VAL 310 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3jwu s VAL 310 CO 0.00 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 174.27 3jwu s VAL 311 N 2.55 2.85 0.15 2.92 1.01 -1.26 -1.29 120.40 127.32 3jwu s VAL 311 Ca 0.75 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3jwu s VAL 311 Cb -0.42 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3jwu s VAL 311 CO 0.33 0.52 -0.09 -0.76 0.00 0.00 0.00 175.10 175.10 3jwu s LEU 312 N 0.54 3.03 -0.17 3.92 1.43 0.41 -4.96 118.68 122.87 3jwu s LEU 312 Ca -0.09 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3jwu s LEU 312 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3jwu s LEU 312 CO 0.04 0.13 -0.08 -0.89 0.23 0.00 0.00 176.35 175.78 3jwu s THR 313 N -1.52 3.30 -0.29 5.49 2.01 -1.26 -0.53 115.64 122.83 3jwu s THR 313 Ca 0.24 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 3jwu s THR 313 Cb -0.10 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3jwu s THR 313 CO 0.15 0.48 0.18 -0.62 -0.69 0.00 0.00 174.62 174.12 3jwu s ASP 314 N 0.82 5.84 -0.00 3.53 -1.08 0.49 -4.63 116.67 121.65 3jwu s ASP 314 Ca -0.03 -0.17 0.08 0.00 -0.52 0.00 0.00 52.55 51.92 3jwu s ASP 314 Cb -0.15 -2.08 -0.11 0.00 -1.46 0.00 0.00 42.92 39.13 3jwu s ASP 314 CO 0.01 -0.10 0.30 0.35 0.52 0.00 0.00 175.17 176.25 3jwu n THR 315 N 5.04 0.00 0.19 1.71 -2.24 0.48 -1.97 114.28 117.48 3jwu n THR 315 Ca -0.14 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 3jwu n THR 315 Cb 0.51 0.76 0.38 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.00 -2.29 3.22 5.85 -1.65 -2.65 115.31 117.79 3jwu h LEU 316 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3jwu h LEU 316 Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3jwu h LEU 316 CO 0.00 0.37 0.13 1.12 -0.34 0.00 0.00 178.44 179.73 3jwu h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -1.06 115.15 115.56 3jwu h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jwu h HIS 317 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 3jwu h HIS 317 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3jwu h LEU 318 N 0.00 0.00 -1.88 6.12 3.38 -1.81 -1.70 115.31 119.43 3jwu h LEU 318 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3jwu h LEU 318 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3jwu h LEU 318 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3jwu n LYS 319 N -2.74 2.20 -2.68 1.13 5.02 -0.40 -4.95 118.16 115.75 3jwu n LYS 319 Ca -0.00 -1.84 -0.40 0.00 -2.02 0.00 0.00 58.31 54.04 3jwu n LYS 319 Cb 0.17 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 3jwu n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jwu s SER 320 N -1.22 7.54 -0.11 4.39 0.15 -0.64 -4.89 113.70 118.92 3jwu s SER 320 Ca 0.36 2.04 -0.04 0.00 0.70 0.00 0.00 55.95 59.01 3jwu s SER 320 Cb 0.19 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 3jwu s SER 320 CO 0.26 0.08 -0.13 0.41 1.20 0.00 0.00 173.24 175.05 3jwu n THR 321 N 1.40 0.64 -1.92 6.45 -1.04 -1.22 -5.05 114.28 113.53 3jwu n THR 321 Ca -0.02 -0.19 -0.34 0.00 -2.04 0.00 0.00 64.05 61.47 3jwu n THR 321 Cb 0.46 -1.41 0.03 0.00 -1.82 0.00 0.00 70.33 67.60 3jwu n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3jwu s LEU 322 N -6.32 3.53 0.33 -4.42 1.43 -1.25 -5.04 118.68 106.94 3jwu s LEU 322 Ca -0.16 2.12 -0.07 0.00 -1.03 0.00 0.00 54.13 54.99 3jwu s LEU 322 Cb 0.05 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 3jwu s LEU 322 CO 0.22 -1.54 0.63 -1.61 0.23 0.00 0.00 176.35 174.28 3jwu s GLU 323 N -3.75 3.68 0.07 1.70 2.02 -1.26 -4.45 118.70 116.72 3jwu s GLU 323 Ca 0.70 0.17 0.20 0.00 0.02 0.00 0.00 54.97 56.07 3jwu s GLU 323 Cb -0.23 -2.55 -0.14 0.00 0.10 0.00 0.00 34.13 31.30 3jwu s GLU 323 CO 0.36 0.12 0.76 0.25 0.02 0.00 0.00 175.26 176.78 3jwu n THR 324 N -1.07 0.67 0.00 3.63 -2.24 -1.26 -4.93 114.28 109.08 3jwu n THR 324 Ca -0.00 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3jwu n THR 324 Cb 0.54 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.30 2.68 3.80 3.38 0.00 -1.26 -4.82 105.19 110.27 3jwu n GLY 325 Ca -0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.08 0.03 0.54 0.00 -4.23 0.21 -4.99 115.64 104.13 3jwu s THR 327 Ca 0.60 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.50 3jwu s THR 327 Cb -0.15 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.61 3jwu s THR 327 CO 0.55 0.00 2.26 -0.33 -0.54 0.00 0.00 174.62 176.56 3jwu h GLU 328 N 2.16 0.00 0.00 3.99 3.07 -2.05 -2.99 114.58 118.76 3jwu h GLU 328 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3jwu h GLU 328 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3jwu h GLU 328 CO 0.39 0.02 -1.42 0.72 -1.40 0.00 0.00 179.01 177.31 3jwu n HIS 329 N -3.27 0.00 -3.75 4.33 8.25 -1.26 -4.99 115.22 114.53 3jwu n HIS 329 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3jwu n HIS 329 Cb 0.13 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 30.89 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 -3.09 -0.00 -0.20 1.59 2.07 -1.13 -5.14 121.20 115.30 3jwu s ILE 330 Ca -0.00 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.19 3jwu s ILE 330 Cb 0.13 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 3jwu s ILE 330 CO 0.79 0.00 0.02 0.00 -1.91 0.00 0.00 174.94 173.84 3jwu n MET 332 N 4.06 2.89 0.09 0.00 2.81 -1.26 -4.76 117.12 120.94 3jwu n MET 332 Ca -0.17 -2.94 0.20 0.00 -1.81 0.00 0.00 57.70 52.98 3jwu n MET 332 Cb 0.52 -1.90 0.67 0.00 -0.71 0.00 0.00 33.22 31.80 3jwu n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3jwu h GLY 333 N 1.83 0.00 -1.66 3.03 0.00 -1.93 -0.55 103.07 103.79 3jwu h GLY 333 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3jwu h GLY 333 CO 0.32 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.72 3jwu n SER 334 N -3.42 3.15 -4.71 0.19 3.41 -1.26 -4.86 113.62 106.12 3jwu n SER 334 Ca 0.08 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.30 3jwu n SER 334 Cb 0.76 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.02 4.15 0.19 -1.33 -1.09 -0.22 -4.96 121.20 116.93 3jwu s ILE 335 Ca 0.30 1.53 -0.10 0.00 -2.23 0.00 0.00 60.65 60.15 3jwu s ILE 335 Cb 0.16 -3.98 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 3jwu s ILE 335 CO 0.21 0.09 1.73 0.24 -1.23 0.00 0.00 174.94 175.98 3jwu h MET 336 N 6.97 1.01 -3.09 2.79 2.86 -1.91 -3.38 114.93 120.19 3jwu h MET 336 Ca -0.40 -0.20 -0.62 0.00 -2.06 0.00 0.00 59.70 56.42 3jwu h MET 336 Cb 1.20 -0.15 -0.41 0.00 0.06 0.00 0.00 31.60 32.30 3jwu h MET 336 CO 0.82 0.87 -0.69 -0.51 1.06 0.00 0.00 176.91 178.46 3jwu s LEU 337 N -9.68 3.55 0.03 1.22 1.43 -1.26 -5.15 118.68 108.83 3jwu s LEU 337 Ca -0.13 -3.04 0.23 0.00 -1.03 0.00 0.00 54.13 50.17 3jwu s LEU 337 Cb 0.14 -1.31 0.16 0.00 0.03 0.00 0.00 46.19 45.22 3jwu s LEU 337 CO 0.82 -0.21 1.14 -0.81 0.23 0.00 0.00 176.35 177.52 3jwu n PRO 338 N 3.03 0.17 0.00 1.29 -0.05 -1.26 -5.16 135.00 133.01 3jwu n PRO 338 Ca 0.11 0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.57 3jwu n PRO 338 Cb 0.35 -1.56 0.00 0.00 -0.05 0.00 0.00 33.50 32.24 3jwu n PRO 338 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 3jwu n THR 350 N -1.78 0.00 -0.29 0.52 -1.04 -1.26 -4.88 114.28 105.54 3jwu n THR 350 Ca 0.03 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.01 3jwu n THR 350 Cb 0.39 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.03 3jwu n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jwu h LYS 351 N 0.00 1.17 -0.45 -2.82 1.57 -1.91 -1.90 116.57 112.23 3jwu h LYS 351 Ca 0.00 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 3jwu h LYS 351 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3jwu h LYS 351 CO 0.00 0.86 -0.23 -0.44 -0.57 0.00 0.00 179.45 179.07 3jwu h ASP 352 N 1.18 0.95 0.41 0.86 3.45 -1.97 -3.11 116.42 118.19 3jwu h ASP 352 Ca 0.30 -0.36 -0.17 0.00 0.43 0.00 0.00 57.03 57.22 3jwu h ASP 352 Cb 0.04 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 3jwu h ASP 352 CO -0.05 1.14 -0.72 1.56 -1.57 0.00 0.00 179.24 179.60 3jwu h GLN 353 N 0.80 0.26 0.05 3.56 4.20 -1.98 -3.34 115.11 118.66 3jwu h GLN 353 Ca 0.10 -0.21 -0.23 0.00 0.06 0.00 0.00 58.65 58.36 3jwu h GLN 353 Cb 0.79 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3jwu h GLN 353 CO 0.07 0.87 -1.06 1.25 -0.67 0.00 0.00 178.83 179.29 3jwu h LEU 354 N 0.17 0.27 -0.11 1.46 5.85 -1.34 -3.34 115.31 118.28 3jwu h LEU 354 Ca -0.02 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3jwu h LEU 354 Cb 1.28 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 3jwu h LEU 354 CO 0.11 1.16 -0.03 0.15 -0.34 0.00 0.00 178.44 179.49 3jwu h PHE 355 N 0.07 0.24 -0.67 1.25 3.57 -1.66 -0.64 116.94 119.10 3jwu h PHE 355 Ca -0.07 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3jwu h PHE 355 Cb 1.76 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.41 3jwu h PHE 355 CO 0.04 0.52 0.33 -1.00 -2.23 0.00 0.00 178.31 175.97 3jwu h PRO 356 N -0.10 0.94 -0.44 6.41 0.13 -1.76 0.05 132.00 137.24 3jwu h PRO 356 Ca 0.03 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3jwu h PRO 356 Cb 0.44 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 3jwu h PRO 356 CO 0.01 0.72 0.29 -0.07 -0.23 0.00 0.00 178.00 178.71 3jwu h LEU 357 N 0.94 0.49 -0.40 1.56 3.38 -1.65 0.71 115.31 120.35 3jwu h LEU 357 Ca 0.23 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3jwu h LEU 357 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3jwu h LEU 357 CO -0.03 0.36 0.13 0.00 0.09 0.00 0.00 178.44 178.98 3jwu h ALA 358 N 1.16 0.52 -0.19 1.53 0.00 -0.70 -2.19 119.26 119.39 3jwu h ALA 358 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jwu h ALA 358 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3jwu h ALA 358 CO -0.04 0.16 0.07 -0.22 0.00 0.00 0.00 179.25 179.22 3jwu h LYS 359 N 0.50 0.28 -0.74 0.00 3.64 -0.75 0.20 116.57 119.70 3jwu h LYS 359 Ca 0.13 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 3jwu h LYS 359 Cb 0.25 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 3jwu h LYS 359 CO -0.01 0.35 0.36 1.49 -2.27 0.00 0.00 179.45 179.38 3jwu h GLU 360 N 0.15 0.58 -0.27 1.90 4.81 -0.85 -0.71 114.58 120.18 3jwu h GLU 360 Ca 0.06 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3jwu h GLU 360 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3jwu h GLU 360 CO -0.00 0.38 -0.14 0.35 -0.73 0.00 0.00 179.01 178.87 3jwu h PHE 361 N 0.59 0.67 -0.47 0.92 3.57 -0.80 -2.63 116.94 118.79 3jwu h PHE 361 Ca 0.37 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3jwu h PHE 361 Cb 0.43 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3jwu h PHE 361 CO -0.11 0.83 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.70 3jwu h LEU 362 N 0.31 0.84 -0.49 0.59 3.38 -0.68 -0.44 115.31 118.82 3jwu h LEU 362 Ca 0.06 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3jwu h LEU 362 Cb 0.66 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3jwu h LEU 362 CO 0.04 0.96 0.16 0.44 0.09 0.00 0.00 178.44 180.13 3jwu h ASP 363 N 0.71 0.14 -0.39 -0.43 3.32 -1.17 0.37 116.42 118.96 3jwu h ASP 363 Ca 0.13 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 3jwu h ASP 363 Cb 0.55 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3jwu h ASP 363 CO 0.03 0.10 -0.26 0.06 -1.72 0.00 0.00 179.24 177.45 3jwu h GLN 364 N 0.32 0.91 0.43 3.56 3.07 -1.16 -1.19 115.11 121.05 3jwu h GLN 364 Ca 0.24 -0.40 -0.02 0.00 0.09 0.00 0.00 58.65 58.56 3jwu h GLN 364 Cb 0.27 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.80 3jwu h GLN 364 CO -0.26 1.05 -0.26 -0.92 0.09 0.00 0.00 178.83 178.54 3jwu h TYR 365 N 0.77 -0.67 0.00 0.06 3.20 -0.57 -0.46 116.97 119.30 3jwu h TYR 365 Ca 0.09 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3jwu h TYR 365 Cb 0.82 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 3jwu h TYR 365 CO 0.05 -0.40 -0.22 1.88 -1.64 0.00 0.00 178.16 177.84 3jwu h TYR 366 N -0.65 0.00 -0.32 -3.82 -1.99 -0.26 -0.51 116.97 109.42 3jwu h TYR 366 Ca -0.05 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 3jwu h TYR 366 Cb 0.53 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3jwu h TYR 366 CO -0.09 0.22 -0.21 1.03 -0.00 0.00 0.00 178.16 179.11 3jwu h SER 367 N 0.00 0.60 -0.13 3.88 0.87 -0.99 0.41 113.55 118.19 3jwu h SER 367 Ca -0.00 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.28 3jwu h SER 367 Cb 0.39 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3jwu h SER 367 CO 0.03 0.81 -0.17 0.77 -0.53 0.00 0.00 176.83 177.74 3jwu h SER 368 N 0.53 0.51 -0.52 6.23 4.64 0.58 -2.51 113.55 123.01 3jwu h SER 368 Ca 0.08 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3jwu h SER 368 Cb 0.66 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3jwu h SER 368 CO 0.05 0.70 0.00 2.30 -0.87 0.00 0.00 176.83 179.01 3jwu n ILE 369 N -4.17 1.04 -3.12 0.95 -5.35 -0.99 -4.94 119.36 102.78 3jwu n ILE 369 Ca 0.00 -0.80 -0.18 0.00 -0.27 0.00 0.00 62.75 61.50 3jwu n ILE 369 Cb 0.36 0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.51 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 0.95 -5.13 -0.87 6.28 5.02 -0.95 -4.93 118.16 118.54 3jwu n LYS 370 Ca 0.19 0.68 0.05 0.00 -2.02 0.00 0.00 58.31 57.21 3jwu n LYS 370 Cb 0.58 -5.16 0.11 0.00 -0.02 0.00 0.00 35.03 30.54 3jwu n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jwu n ARG 371 N -3.70 0.78 -1.86 1.97 1.74 0.14 -5.01 116.66 110.72 3jwu n ARG 371 Ca -0.04 -2.48 -0.42 0.00 -0.77 0.00 0.00 57.85 54.14 3jwu n ARG 371 Cb 0.57 -0.87 -0.03 0.00 -1.02 0.00 0.00 32.46 31.11 3jwu n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3jwu s PHE 372 N -1.62 2.64 -0.09 -1.55 5.36 -0.93 -2.10 117.98 119.69 3jwu s PHE 372 Ca 0.32 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 3jwu s PHE 372 Cb 0.33 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.99 3jwu s PHE 372 CO -0.09 -4.00 0.00 0.41 -1.46 0.00 0.00 175.22 170.08 3jwu n GLY 373 N 3.97 0.44 3.96 13.12 0.00 -1.26 -5.00 105.19 120.42 3jwu n GLY 373 Ca 0.16 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.15 3.47 -0.04 1.61 1.04 -0.89 -4.93 113.70 111.81 3jwu s SER 374 Ca 0.00 -0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 3jwu s SER 374 Cb 0.00 -0.02 -0.21 0.00 0.10 0.00 0.00 66.02 65.89 3jwu s SER 374 CO 0.00 -2.47 1.16 0.50 0.98 0.00 0.00 173.24 173.41 3jwu h LYS 375 N -1.24 0.08 -1.00 4.02 3.64 -1.96 -2.41 116.57 117.69 3jwu h LYS 375 Ca -0.40 -0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.15 3jwu h LYS 375 Cb 1.24 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.96 3jwu h LYS 375 CO 0.35 0.67 0.62 0.00 -2.27 0.00 0.00 179.45 178.82 3jwu h ALA 376 N 0.41 1.86 0.78 5.00 0.00 -1.96 0.36 119.26 125.71 3jwu h ALA 376 Ca -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3jwu h ALA 376 Cb 0.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3jwu h ALA 376 CO 0.01 -0.26 -0.37 1.25 0.00 0.00 0.00 179.25 179.87 3jwu h HIS 377 N 0.61 -0.97 -0.84 0.00 -0.00 -1.77 -1.04 115.15 111.14 3jwu h HIS 377 Ca 0.60 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 61.02 3jwu h HIS 377 Cb 1.14 0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 28.80 3jwu h HIS 377 CO -0.00 -0.60 0.50 0.52 -0.00 0.00 0.00 177.93 178.34 3jwu h MET 378 N -1.26 0.84 -0.29 5.26 2.07 -1.05 -2.16 114.93 118.33 3jwu h MET 378 Ca -0.11 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.50 3jwu h MET 378 Cb 0.81 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 30.32 3jwu h MET 378 CO 0.18 0.55 0.11 -0.44 1.07 0.00 0.00 176.91 178.38 3jwu h ASP 379 N 0.86 0.14 -0.69 1.22 3.45 -0.23 -0.31 116.42 120.86 3jwu h ASP 379 Ca 0.39 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.87 3jwu h ASP 379 Cb 0.29 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3jwu h ASP 379 CO -0.22 0.11 0.40 -0.09 -1.57 0.00 0.00 179.24 177.87 3jwu h ARG 380 N 0.25 0.95 -0.34 3.56 9.65 -0.83 -0.60 114.38 127.01 3jwu h ARG 380 Ca 0.13 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 3jwu h ARG 380 Cb 0.09 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 3jwu h ARG 380 CO -0.12 0.69 0.17 1.25 2.80 0.00 0.00 179.97 184.75 3jwu h LEU 381 N 0.94 0.25 -0.78 3.80 5.85 -1.06 -0.48 115.31 123.83 3jwu h LEU 381 Ca 0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3jwu h LEU 381 Cb -0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3jwu h LEU 381 CO -0.04 0.18 0.40 -0.08 -0.34 0.00 0.00 178.44 178.56 3jwu h GLU 382 N 0.35 1.11 -0.52 1.25 4.57 -0.77 -0.16 114.58 120.41 3jwu h GLU 382 Ca 0.14 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3jwu h GLU 382 Cb 0.06 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3jwu h GLU 382 CO -0.10 0.84 0.16 1.49 -1.18 0.00 0.00 179.01 180.22 3jwu h GLU 383 N 1.09 0.81 -0.21 1.92 4.81 -0.77 -1.67 114.58 120.57 3jwu h GLU 383 Ca 0.27 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3jwu h GLU 383 Cb 0.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3jwu h GLU 383 CO -0.04 0.76 0.02 0.28 -0.73 0.00 0.00 179.01 179.30 3jwu h VAL 384 N 0.71 1.24 -1.00 0.32 2.07 -0.99 -2.55 116.25 116.05 3jwu h VAL 384 Ca 0.17 -0.80 0.17 0.00 0.82 0.00 0.00 66.70 67.06 3jwu h VAL 384 Cb 0.29 1.36 -0.10 0.00 -1.52 0.00 0.00 31.29 31.31 3jwu h VAL 384 CO -0.00 0.25 0.61 -1.13 0.02 0.00 0.00 177.57 177.31 3jwu h ASN 385 N 0.14 0.81 0.11 0.57 -0.73 -0.75 0.15 115.58 115.87 3jwu h ASN 385 Ca 0.06 0.08 -0.19 0.00 1.87 0.00 0.00 56.30 58.13 3jwu h ASN 385 Cb 0.35 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 3jwu h ASN 385 CO 0.01 0.33 -0.70 0.11 -0.37 0.00 0.00 177.43 176.81 3jwu h LYS 386 N 0.82 0.53 -0.19 6.67 1.57 -1.23 -1.12 116.57 123.62 3jwu h LYS 386 Ca 0.55 -0.41 -0.19 0.00 -1.87 0.00 0.00 60.65 58.73 3jwu h LYS 386 Cb 0.78 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3jwu h LYS 386 CO -0.35 1.04 -0.65 1.49 -0.57 0.00 0.00 179.45 180.40 3jwu h GLU 387 N 0.38 0.72 -0.39 3.15 4.81 -0.85 -1.94 114.58 120.45 3jwu h GLU 387 Ca -0.03 -0.52 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 3jwu h GLU 387 Cb 1.28 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 3jwu h GLU 387 CO 0.13 1.14 0.08 0.82 -0.73 0.00 0.00 179.01 180.45 3jwu h ILE 388 N 0.52 1.23 0.00 2.32 2.04 -0.67 0.58 117.51 123.53 3jwu h ILE 388 Ca -0.02 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3jwu h ILE 388 Cb 1.25 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3jwu h ILE 388 CO 0.13 0.28 -0.20 -0.08 0.00 0.00 0.00 178.15 178.28 3jwu h GLU 389 N 0.48 0.00 0.00 2.37 4.81 -1.18 -1.77 114.58 119.29 3jwu h GLU 389 Ca 0.12 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 3jwu h GLU 389 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3jwu h GLU 389 CO 0.00 0.20 -0.99 0.45 -0.73 0.00 0.00 179.01 177.94 3jwu n SER 390 N -3.63 1.85 0.01 1.04 2.88 -0.73 -4.66 113.62 110.37 3jwu n SER 390 Ca -0.01 0.51 0.11 0.00 -1.33 0.00 0.00 58.87 58.14 3jwu n SER 390 Cb 0.33 -0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 3jwu n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jwu n THR 391 N -4.51 0.05 -0.43 2.46 -2.24 0.20 -4.96 114.28 104.85 3jwu n THR 391 Ca -0.20 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3jwu n THR 391 Cb 0.48 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3jwu n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jwu n SER 392 N -1.72 0.00 -0.87 3.42 3.41 -0.67 -4.97 113.62 112.22 3jwu n SER 392 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3jwu n SER 392 Cb 0.39 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3jwu n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jwu n THR 393 N -2.00 0.00 -3.94 6.66 5.66 -1.26 -4.67 114.28 114.73 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 0.00 0.00 -0.03 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 -1.90 0.26 -0.07 1.09 -0.85 -1.26 -3.06 117.35 111.56 3jwu s TYR 394 Ca 0.00 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 55.90 3jwu s TYR 394 Cb 0.00 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.75 3jwu s TYR 394 CO 0.00 -1.20 -0.21 -0.65 -1.52 0.00 0.00 175.55 171.97 3jwu s GLN 395 N -3.52 2.73 0.33 -3.49 -1.52 -1.26 -5.07 119.66 107.86 3jwu s GLN 395 Ca 0.19 -0.83 -0.27 0.00 -1.95 0.00 0.00 55.36 52.50 3jwu s GLN 395 Cb -0.03 -2.29 -0.09 0.00 -0.22 0.00 0.00 33.01 30.38 3jwu s GLN 395 CO 0.11 0.37 1.03 -0.51 -0.25 0.00 0.00 175.29 176.04 3jwu s LEU 396 N -0.12 4.37 0.72 2.90 1.43 -1.26 -5.05 118.68 121.66 3jwu s LEU 396 Ca -0.04 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 3jwu s LEU 396 Cb -0.14 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.20 3jwu s LEU 396 CO 0.04 -0.22 1.12 -0.54 0.23 0.00 0.00 176.35 176.98 3jwu s LYS 397 N -1.93 2.44 0.20 1.70 -0.14 -1.26 -4.83 119.74 115.91 3jwu s LYS 397 Ca 0.50 1.37 -0.11 0.00 -1.36 0.00 0.00 55.97 56.38 3jwu s LYS 397 Cb -0.25 -1.91 0.21 0.00 -1.68 0.00 0.00 37.83 34.21 3jwu s LYS 397 CO 0.31 -1.53 1.78 -0.44 -0.76 0.00 0.00 175.35 174.71 3jwu h ASP 398 N -0.49 0.36 -0.92 2.83 5.19 -1.99 -0.41 116.42 120.99 3jwu h ASP 398 Ca -0.46 0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.06 3jwu h ASP 398 Cb 1.25 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 40.68 3jwu h ASP 398 CO 0.52 0.23 0.58 0.71 -3.12 0.00 0.00 179.24 178.16 3jwu h THR 399 N 0.51 1.08 -0.19 0.35 1.35 -2.00 -1.38 112.91 112.63 3jwu h THR 399 Ca 0.27 -0.37 -0.14 0.00 -0.55 0.00 0.00 66.41 65.63 3jwu h THR 399 Cb 0.23 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.55 3jwu h THR 399 CO -0.21 0.20 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.47 3jwu h GLU 400 N 1.07 0.48 -0.28 4.72 5.08 -1.66 -1.50 114.58 122.49 3jwu h GLU 400 Ca 0.39 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3jwu h GLU 400 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3jwu h GLU 400 CO -0.16 0.84 0.01 1.25 -1.00 0.00 0.00 179.01 179.95 3jwu h LEU 401 N 0.38 0.47 -0.40 1.33 5.85 -0.68 0.76 115.31 123.02 3jwu h LEU 401 Ca 0.03 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3jwu h LEU 401 Cb 0.95 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3jwu h LEU 401 CO 0.08 0.65 -0.01 0.40 -0.34 0.00 0.00 178.44 179.22 3jwu h ILE 402 N 0.28 1.26 -0.40 4.05 2.04 -1.22 -1.22 117.51 122.30 3jwu h ILE 402 Ca 0.08 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.91 3jwu h ILE 402 Cb 0.40 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3jwu h ILE 402 CO 0.01 0.35 0.25 0.22 0.00 0.00 0.00 178.15 178.99 3jwu h TYR 403 N 0.55 0.48 -0.51 1.37 3.20 -1.28 -2.13 116.97 118.65 3jwu h TYR 403 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3jwu h TYR 403 Cb 0.50 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3jwu h TYR 403 CO 0.04 0.30 0.23 0.78 -1.64 0.00 0.00 178.16 177.86 3jwu h GLY 404 N 0.52 0.80 0.97 1.82 0.00 -0.69 -0.77 103.07 105.72 3jwu h GLY 404 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3jwu h GLY 404 CO -0.05 0.39 0.09 0.00 0.00 0.00 0.00 176.54 176.98 3jwu h ALA 405 N 1.07 0.62 -0.34 3.60 0.00 -1.19 -0.46 119.26 122.57 3jwu h ALA 405 Ca 0.17 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3jwu h ALA 405 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3jwu h ALA 405 CO -0.02 0.33 -0.17 0.87 0.00 0.00 0.00 179.25 180.26 3jwu h LYS 406 N 0.64 0.62 -0.01 0.00 1.57 -1.20 -2.70 116.57 115.50 3jwu h LYS 406 Ca 0.15 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 3jwu h LYS 406 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3jwu h LYS 406 CO 0.01 0.77 -0.78 0.45 -0.57 0.00 0.00 179.45 179.32 3jwu h HIS 407 N 0.56 0.12 -0.60 -1.35 3.86 -0.99 -1.02 115.15 115.73 3jwu h HIS 407 Ca 0.09 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3jwu h HIS 407 Cb 0.61 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 3jwu h HIS 407 CO 0.03 0.83 0.24 0.00 0.86 0.00 0.00 177.93 179.89 3jwu h ALA 408 N 1.15 1.30 -0.05 2.45 0.00 -0.90 0.23 119.26 123.45 3jwu h ALA 408 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3jwu h ALA 408 Cb 1.38 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3jwu h ALA 408 CO 0.11 0.52 -0.03 2.35 0.00 0.00 0.00 179.25 182.20 3jwu h TRP 409 N 0.86 0.14 -0.95 0.00 7.01 -1.37 -2.61 115.95 119.02 3jwu h TRP 409 Ca 0.20 -0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.36 3jwu h TRP 409 Cb 0.16 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.11 3jwu h TRP 409 CO 0.01 0.52 0.61 -0.09 -2.79 0.00 0.00 178.44 176.70 3jwu h ARG 410 N -0.29 0.54 -0.01 2.65 2.43 -0.80 -0.44 114.38 118.46 3jwu h ARG 410 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jwu h ARG 410 Cb 0.49 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3jwu h ARG 410 CO 0.01 0.36 -0.06 0.09 -1.51 0.00 0.00 179.97 178.86 3jwu n ASN 411 N -4.60 1.19 -4.55 -3.80 3.02 0.79 -4.83 115.26 102.48 3jwu n ASN 411 Ca 0.21 -1.27 -0.37 0.00 -0.03 0.00 0.00 54.58 53.12 3jwu n ASN 411 Cb 0.65 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 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 -2.13 2.20 -0.11 5.41 0.00 -0.18 -4.70 121.76 122.26 3jwu s ALA 412 Ca 0.36 -1.08 0.29 0.00 0.00 0.00 0.00 51.96 51.53 3jwu s ALA 412 Cb 0.21 -4.37 1.31 0.00 0.00 0.00 0.00 23.12 20.27 3jwu s ALA 412 CO 0.38 -3.97 1.88 0.66 0.00 0.00 0.00 175.76 174.71 3jwu h SER 413 N 12.95 0.00 0.02 0.00 4.64 -1.88 -1.83 113.55 127.45 3jwu h SER 413 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3jwu h SER 413 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3jwu h SER 413 CO 1.24 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 177.70 3jwu n ARG 414 N -2.64 1.58 -3.56 4.77 1.74 -1.26 -0.23 116.66 117.06 3jwu n ARG 414 Ca 0.01 -0.95 -0.40 0.00 -0.77 0.00 0.00 57.85 55.74 3jwu n ARG 414 Cb 0.21 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 3jwu n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwu h VAL 416 N 5.50 0.00 -0.41 0.00 3.04 -1.89 -3.32 116.25 119.17 3jwu h VAL 416 Ca -0.32 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3jwu h VAL 416 Cb 1.16 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3jwu h VAL 416 CO 0.62 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.79 3jwu n GLY 417 N 0.86 1.82 0.03 3.17 0.00 -1.26 -4.45 105.19 105.35 3jwu n GLY 417 Ca 0.04 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.61 0.04 0.06 1.61 1.74 -1.25 -2.89 116.66 116.59 3jwu n ARG 418 Ca 0.16 0.26 0.21 0.00 -0.77 0.00 0.00 57.85 57.72 3jwu n ARG 418 Cb 0.63 -1.58 0.71 0.00 -1.02 0.00 0.00 32.46 31.20 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 0.31 -0.13 0.55 2.10 -1.88 0.17 117.51 118.62 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 0.31 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 3jwu h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jwu n GLN 420 N -3.62 1.69 -0.13 2.19 1.13 -1.14 -4.65 117.38 112.84 3jwu n GLN 420 Ca 0.09 -1.03 0.10 0.00 -1.94 0.00 0.00 57.00 54.22 3jwu n GLN 420 Cb 0.72 -1.41 0.44 0.00 0.11 0.00 0.00 30.24 30.11 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 2.16 0.57 -0.00 1.08 5.08 -0.90 0.42 115.95 124.36 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 0.47 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.45 3jwu h TRP 421 CO 0.08 0.28 -0.04 -1.13 -1.28 0.00 0.00 178.44 176.35 3jwu n SER 422 N -4.48 0.15 -4.11 0.11 3.41 -1.26 -4.04 113.62 103.39 3jwu n SER 422 Ca 0.11 -0.31 -0.37 0.00 -0.26 0.00 0.00 58.87 58.04 3jwu n SER 422 Cb 0.33 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3jwu n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jwu n LYS 423 N -1.17 2.74 -4.22 4.33 5.02 0.14 -4.97 118.16 120.02 3jwu n LYS 423 Ca 0.15 -4.48 -0.22 0.00 -2.02 0.00 0.00 58.31 51.73 3jwu n LYS 423 Cb 0.25 -2.42 -0.17 0.00 -0.02 0.00 0.00 35.03 32.67 3jwu n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jwu s LEU 424 N -1.43 1.34 -0.19 -0.35 2.96 -1.26 -4.55 118.68 115.20 3jwu s LEU 424 Ca 0.28 -0.19 -0.21 0.00 -0.22 0.00 0.00 54.13 53.79 3jwu s LEU 424 Cb -0.07 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 3jwu s LEU 424 CO -0.12 -0.05 0.66 -1.58 -1.32 0.00 0.00 176.35 173.94 3jwu s GLN 425 N 1.01 4.22 -0.25 1.98 2.00 -0.70 -4.97 119.66 122.95 3jwu s GLN 425 Ca -0.09 0.67 -0.07 0.00 -2.00 0.00 0.00 55.36 53.87 3jwu s GLN 425 Cb -0.14 -3.58 -0.02 0.00 0.80 0.00 0.00 33.01 30.06 3jwu s GLN 425 CO -0.00 -0.25 0.06 0.08 -0.50 0.00 0.00 175.29 174.68 3jwu s VAL 426 N 1.95 4.21 -0.36 1.34 1.01 -1.26 -1.08 120.40 126.21 3jwu s VAL 426 Ca 0.30 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 3jwu s VAL 426 Cb -0.16 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.24 3jwu s VAL 426 CO 0.11 0.32 0.22 -0.36 0.00 0.00 0.00 175.10 175.39 3jwu s PHE 427 N 1.59 3.22 -0.51 5.22 0.08 0.60 -4.98 117.98 123.20 3jwu s PHE 427 Ca 0.06 -0.59 -0.27 0.00 0.12 0.00 0.00 56.93 56.24 3jwu s PHE 427 Cb -0.15 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 39.87 3jwu s PHE 427 CO 0.03 -0.52 1.09 0.34 -0.10 0.00 0.00 175.22 176.06 3jwu s ASP 428 N 1.64 6.52 -0.30 1.36 3.68 -1.26 -1.03 116.67 127.28 3jwu s ASP 428 Ca 0.04 0.19 0.08 0.00 2.13 0.00 0.00 52.55 55.00 3jwu s ASP 428 Cb -0.18 -2.52 0.51 0.00 -1.45 0.00 0.00 42.92 39.29 3jwu s ASP 428 CO 0.08 -1.28 1.48 0.00 0.13 0.00 0.00 175.17 175.59 3jwu n ALA 429 N 7.85 4.40 0.43 3.66 0.00 0.29 -4.69 120.51 132.45 3jwu n ALA 429 Ca 0.09 -3.15 0.10 0.00 0.00 0.00 0.00 53.44 50.48 3jwu n ALA 429 Cb 0.49 -0.77 0.44 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.13 0.14 0.00 0.00 1.74 -1.08 -2.02 116.66 114.31 3jwu n ARG 430 Ca 0.34 0.37 0.14 0.00 -0.77 0.00 0.00 57.85 57.94 3jwu n ARG 430 Cb 1.06 -1.76 0.63 0.00 -1.02 0.00 0.00 32.46 31.37 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 -2.02 1.04 -4.77 0.55 3.85 -1.26 -4.45 116.55 109.50 3jwu n ASP 431 Ca 0.03 -1.29 -0.40 0.00 -0.71 0.00 0.00 54.79 52.41 3jwu n ASP 431 Cb 0.21 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.96 3jwu n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jwu n THR 433 N 0.86 0.00 -4.21 0.00 -2.24 -1.26 -4.77 114.28 102.66 3jwu n THR 433 Ca -0.00 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 3jwu n THR 433 Cb 0.43 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.16 0.17 0.24 4.28 -4.23 -1.26 -4.71 115.64 108.96 3jwu s THR 434 Ca 0.00 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3jwu s THR 434 Cb 0.00 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3jwu s THR 434 CO 0.00 -0.17 1.62 0.00 -0.54 0.00 0.00 174.62 175.53 3jwu h ALA 435 N 2.66 0.90 -0.73 3.99 0.00 -1.90 -0.93 119.26 123.25 3jwu h ALA 435 Ca -0.36 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 3jwu h ALA 435 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3jwu h ALA 435 CO 0.57 0.63 0.33 0.45 0.00 0.00 0.00 179.25 181.23 3jwu h HIS 436 N 0.43 1.06 -0.53 0.00 -0.00 -1.97 0.22 115.15 114.36 3jwu h HIS 436 Ca 0.04 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3jwu h HIS 436 Cb 0.87 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 3jwu h HIS 436 CO 0.03 0.79 0.23 0.78 -0.00 0.00 0.00 177.93 179.76 3jwu h GLY 437 N 1.10 0.84 1.01 2.45 0.00 -1.85 -1.40 103.07 105.23 3jwu h GLY 437 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3jwu h GLY 437 CO -0.03 0.42 0.24 -0.33 0.00 0.00 0.00 176.54 176.85 3jwu h MET 438 N 0.72 0.96 -0.23 4.80 0.00 -0.74 -1.22 114.93 119.22 3jwu h MET 438 Ca 0.18 -0.18 0.04 0.00 0.00 0.00 0.00 59.70 59.74 3jwu h MET 438 Cb 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 31.60 31.58 3jwu h MET 438 CO -0.02 0.82 -0.01 0.35 0.00 0.00 0.00 176.91 178.05 3jwu h PHE 439 N 0.90 -0.03 0.07 -0.22 3.04 -0.26 0.28 116.94 120.71 3jwu h PHE 439 Ca 0.21 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.20 3jwu h PHE 439 Cb 0.22 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 3jwu h PHE 439 CO 0.01 -0.05 -0.29 -0.97 -2.02 0.00 0.00 178.31 174.99 3jwu h ASN 440 N 0.06 -0.85 -1.00 0.41 -1.24 -1.03 0.96 115.58 112.88 3jwu h ASN 440 Ca 0.11 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.34 3jwu h ASN 440 Cb 0.14 0.33 -0.08 0.00 0.73 0.00 0.00 38.32 39.44 3jwu h ASN 440 CO -0.19 -0.37 0.63 1.88 -1.29 0.00 0.00 177.43 178.09 3jwu h TYR 441 N -0.48 1.15 -0.23 0.67 -1.99 -1.02 -1.00 116.97 114.07 3jwu h TYR 441 Ca 0.04 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 3jwu h TYR 441 Cb 0.53 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 3jwu h TYR 441 CO -0.29 0.47 -0.24 0.82 -0.00 0.00 0.00 178.16 178.92 3jwu h ILE 442 N 1.02 1.32 -0.56 -2.88 2.04 -0.48 0.43 117.51 118.40 3jwu h ILE 442 Ca 0.49 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3jwu h ILE 442 Cb 0.46 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3jwu h ILE 442 CO -0.26 0.44 0.32 0.00 0.00 0.00 0.00 178.15 178.65 3jwu h ASN 444 N 0.62 0.67 0.14 0.00 2.35 -1.01 -1.56 115.58 116.78 3jwu h ASN 444 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3jwu h ASN 444 Cb 0.08 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3jwu h ASN 444 CO -0.13 0.48 -0.12 -0.74 -1.65 0.00 0.00 177.43 175.27 3jwu h HIS 445 N 0.79 -0.32 -0.51 1.19 2.76 -0.44 -1.71 115.15 116.91 3jwu h HIS 445 Ca 0.23 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 3jwu h HIS 445 Cb -0.06 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 28.95 3jwu h HIS 445 CO -0.04 -0.19 0.12 0.28 -1.30 0.00 0.00 177.93 176.80 3jwu h VAL 446 N -0.28 0.73 -0.27 5.26 2.07 -0.36 -0.30 116.25 123.08 3jwu h VAL 446 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3jwu h VAL 446 Cb 0.26 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3jwu h VAL 446 CO -0.02 0.05 -0.09 0.50 0.02 0.00 0.00 177.57 178.02 3jwu h LYS 447 N 0.26 0.55 -0.23 1.57 3.64 -1.22 -0.80 116.57 120.34 3jwu h LYS 447 Ca 0.26 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3jwu h LYS 447 Cb 0.34 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3jwu h LYS 447 CO -0.32 0.77 0.11 -0.92 -2.27 0.00 0.00 179.45 176.82 3jwu h TYR 448 N 0.30 0.20 -0.21 1.91 3.20 -1.04 -2.01 116.97 119.32 3jwu h TYR 448 Ca 0.07 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 3jwu h TYR 448 Cb 0.58 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3jwu h TYR 448 CO 0.05 0.11 -0.46 0.00 -1.64 0.00 0.00 178.16 176.23 3jwu h ALA 449 N 1.12 0.80 -0.05 1.82 0.00 -1.00 -3.26 119.26 118.69 3jwu h ALA 449 Ca 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3jwu h ALA 449 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3jwu h ALA 449 CO -0.07 0.66 -0.04 1.15 0.00 0.00 0.00 179.25 180.96 3jwu h THR 450 N 0.44 1.35 -6.36 0.00 2.02 -1.06 0.73 112.91 110.04 3jwu h THR 450 Ca 0.03 -1.12 -0.48 0.00 0.77 0.00 0.00 66.41 65.61 3jwu h THR 450 Cb 0.97 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 3jwu h THR 450 CO 0.09 0.30 -0.82 -3.20 0.37 0.00 0.00 175.52 172.26 3jwu n ASN 451 N -4.78 -2.44 -2.61 4.18 5.15 -0.76 -0.40 115.26 113.59 3jwu n ASN 451 Ca -0.08 -0.88 -0.17 0.00 -0.60 0.00 0.00 54.58 52.85 3jwu n ASN 451 Cb 0.27 -3.55 -0.00 0.00 -0.53 0.00 0.00 39.78 35.96 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 -4.46 -2.53 0.00 1.20 5.02 -1.26 -1.65 118.16 114.48 3jwu n LYS 452 Ca -0.14 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 3jwu n LYS 452 Cb 0.60 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -0.98 0.90 3.35 0.72 0.00 0.46 -4.93 105.19 104.71 3jwu n GLY 453 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 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 5.48 -4.77 1.61 4.05 -0.66 -1.19 115.26 119.78 3jwu n ASN 454 Ca 0.00 -3.04 -0.40 0.00 0.45 0.00 0.00 54.58 51.59 3jwu n ASN 454 Cb 0.00 -1.43 -0.01 0.00 1.23 0.00 0.00 39.78 39.57 3jwu n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jwu s LEU 455 N -0.59 4.30 -0.03 1.20 1.43 -1.24 -4.49 118.68 119.26 3jwu s LEU 455 Ca 0.34 2.76 0.05 0.00 -1.03 0.00 0.00 54.13 56.25 3jwu s LEU 455 Cb -0.07 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3jwu s LEU 455 CO -0.05 -0.76 -0.17 -0.13 0.23 0.00 0.00 176.35 175.47 3jwu s ARG 456 N -2.07 1.62 0.31 1.70 0.52 0.25 -4.98 118.95 116.31 3jwu s ARG 456 Ca 0.53 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 3jwu s ARG 456 Cb -0.41 -1.46 -0.10 0.00 0.52 0.00 0.00 34.95 33.50 3jwu s ARG 456 CO 0.53 0.29 1.20 -1.12 0.02 0.00 0.00 175.30 176.22 3jwu s SER 457 N -0.11 6.97 0.08 0.23 0.01 -1.26 -4.43 113.70 115.19 3jwu s SER 457 Ca -0.00 2.47 -0.19 0.00 1.31 0.00 0.00 55.95 59.55 3jwu s SER 457 Cb -0.10 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.54 3jwu s SER 457 CO 0.01 -0.37 0.44 0.00 0.41 0.00 0.00 173.24 173.73 3jwu s ALA 458 N -1.18 -1.08 0.00 1.44 0.00 -0.93 -1.72 121.76 118.30 3jwu s ALA 458 Ca 0.48 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3jwu s ALA 458 Cb -0.35 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 3jwu s ALA 458 CO 0.46 -0.55 -0.03 -1.50 0.00 0.00 0.00 175.76 174.15 3jwu s ILE 459 N -2.98 0.20 -0.13 0.00 2.07 -0.24 -1.18 121.20 118.94 3jwu s ILE 459 Ca -0.02 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.02 3jwu s ILE 459 Cb 0.00 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.38 3jwu s ILE 459 CO -0.06 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 171.97 3jwu s THR 460 N -0.19 3.20 -0.29 4.00 2.01 -0.50 -0.29 115.64 123.57 3jwu s THR 460 Ca -0.00 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 3jwu s THR 460 Cb -0.02 -2.35 0.05 0.00 0.01 0.00 0.00 72.50 70.18 3jwu s THR 460 CO -0.00 0.52 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 3jwu s ILE 461 N 0.33 2.90 0.73 1.82 1.01 -0.19 -3.04 121.20 124.76 3jwu s ILE 461 Ca -0.10 -1.35 -0.07 0.00 0.00 0.00 0.00 60.65 59.14 3jwu s ILE 461 Cb -0.16 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.76 3jwu s ILE 461 CO 0.05 -0.05 1.04 -0.36 0.00 0.00 0.00 174.94 175.62 3jwu s PHE 462 N 1.25 2.60 0.45 3.97 0.08 -0.74 -0.55 117.98 125.05 3jwu s PHE 462 Ca -0.05 0.33 -0.24 0.00 0.12 0.00 0.00 56.93 57.10 3jwu s PHE 462 Cb -0.19 -3.27 -0.09 0.00 -0.57 0.00 0.00 43.02 38.89 3jwu s PHE 462 CO -0.02 -1.58 1.16 -2.30 -0.10 0.00 0.00 175.22 172.38 3jwu n PRO 463 N -3.00 1.60 -1.82 0.24 -0.02 -1.26 -4.69 135.00 126.05 3jwu n PRO 463 Ca 0.10 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 3jwu n PRO 463 Cb 0.60 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 3jwu n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jwu s GLN 464 N -2.26 2.94 0.50 -0.52 -2.07 -1.26 -4.59 119.66 112.40 3jwu s GLN 464 Ca 0.64 1.32 -0.22 0.00 -1.82 0.00 0.00 55.36 55.28 3jwu s GLN 464 Cb -0.51 -1.97 -0.08 0.00 -1.09 0.00 0.00 33.01 29.36 3jwu s GLN 464 CO 0.56 -1.13 1.05 -2.13 -1.32 0.00 0.00 175.29 172.32 3jwu n ARG 465 N -2.36 1.29 0.00 9.60 0.63 0.12 -4.95 116.66 121.00 3jwu n ARG 465 Ca 0.10 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 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 -0.95 0.00 0.99 5.15 -2.24 -1.26 -4.78 114.28 111.19 3jwu n THR 466 Ca 0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 3jwu n THR 466 Cb 0.43 -0.02 0.55 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.00 0.10 0.00 3.42 5.75 -1.26 -4.92 116.55 119.64 3jwu n ASP 467 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 3jwu n ASP 467 Cb 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3jwu n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jwu n GLY 468 N 1.50 1.08 0.90 6.12 0.00 -1.26 -4.86 105.19 108.66 3jwu n GLY 468 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 2.53 -2.59 1.61 5.02 -1.26 -4.61 118.16 116.86 3jwu n LYS 469 Ca 0.00 -2.16 -0.10 0.00 -2.02 0.00 0.00 58.31 54.03 3jwu n LYS 469 Cb 0.00 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.99 1.76 -3.43 2.13 8.25 -1.26 -4.31 115.22 119.35 3jwu n HIS 470 Ca 0.16 -2.41 -0.35 0.00 -0.26 0.00 0.00 57.72 54.86 3jwu n HIS 470 Cb 0.49 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.58 6.76 0.04 0.41 1.11 -1.26 -4.25 116.67 115.89 3jwu s ASP 471 Ca 0.34 0.98 -0.20 0.00 0.18 0.00 0.00 52.55 53.85 3jwu s ASP 471 Cb 0.38 -2.25 -0.06 0.00 1.07 0.00 0.00 42.92 42.06 3jwu s ASP 471 CO -0.02 0.12 0.57 -0.36 1.18 0.00 0.00 175.17 176.66 3jwu s PHE 472 N -1.46 3.75 -0.10 4.23 0.40 -1.26 -1.20 117.98 122.34 3jwu s PHE 472 Ca 0.37 1.23 -0.08 0.00 -0.60 0.00 0.00 56.93 57.84 3jwu s PHE 472 Cb -0.14 -2.53 0.03 0.00 0.51 0.00 0.00 43.02 40.89 3jwu s PHE 472 CO 0.19 0.49 0.26 1.03 0.70 0.00 0.00 175.22 177.90 3jwu s ARG 473 N -0.73 0.28 -0.25 0.44 1.81 0.17 -3.44 118.95 117.24 3jwu s ARG 473 Ca 0.29 0.42 -0.18 0.00 -1.72 0.00 0.00 55.73 54.55 3jwu s ARG 473 Cb -0.19 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 3jwu s ARG 473 CO 0.18 -0.07 0.51 0.08 -0.68 0.00 0.00 175.30 175.31 3jwu s VAL 474 N 0.48 5.09 -0.14 3.52 1.01 -1.26 -0.93 120.40 128.17 3jwu s VAL 474 Ca -0.03 0.88 0.17 0.00 0.00 0.00 0.00 61.98 63.00 3jwu s VAL 474 Cb -0.04 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.64 3jwu s VAL 474 CO -0.02 0.11 1.53 -0.50 0.00 0.00 0.00 175.10 176.22 3jwu h TRP 475 N 7.89 0.00 -4.11 5.22 4.06 -1.71 -3.42 115.95 123.88 3jwu h TRP 475 Ca -0.30 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.11 3jwu h TRP 475 Cb 1.14 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 29.44 3jwu h TRP 475 CO 0.74 0.40 0.48 -0.80 -3.56 0.00 0.00 178.44 175.70 3jwu s ASN 476 N -6.39 4.81 0.07 -3.49 -0.87 -1.26 -4.94 114.94 102.86 3jwu s ASN 476 Ca 0.04 2.49 0.00 0.00 -1.57 0.00 0.00 52.86 53.82 3jwu s ASN 476 Cb 0.08 -2.61 -0.26 0.00 -0.02 0.00 0.00 41.25 38.44 3jwu s ASN 476 CO 0.72 -1.86 1.09 0.77 -2.57 0.00 0.00 177.10 175.25 3jwu h SER 477 N 0.59 0.27 -4.33 -1.22 4.64 -1.91 -3.35 113.55 108.23 3jwu h SER 477 Ca -0.50 -0.32 -0.34 0.00 -0.47 0.00 0.00 61.79 60.15 3jwu h SER 477 Cb 1.31 -0.09 -0.18 0.00 -0.31 0.00 0.00 62.40 63.13 3jwu h SER 477 CO 0.54 1.25 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.91 3jwu s GLN 478 N -2.66 0.87 0.25 4.77 -0.21 -1.26 -1.20 119.66 120.22 3jwu s GLN 478 Ca -0.04 -1.14 -0.06 0.00 0.02 0.00 0.00 55.36 54.15 3jwu s GLN 478 Cb 0.08 -0.62 0.27 0.00 1.00 0.00 0.00 33.01 33.73 3jwu s GLN 478 CO 0.86 0.11 1.88 -0.07 -2.12 0.00 0.00 175.29 175.95 3jwu h LEU 479 N 3.65 1.09 -8.07 2.90 3.38 -1.37 -3.40 115.31 113.49 3jwu h LEU 479 Ca -0.38 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.84 3jwu h LEU 479 Cb 1.19 -0.28 -0.35 0.00 0.09 0.00 0.00 40.66 41.32 3jwu h LEU 479 CO 0.51 0.86 -0.86 -0.63 0.09 0.00 0.00 178.44 178.40 3jwu s ILE 480 N -5.87 2.04 0.08 1.22 1.01 -1.26 -4.86 121.20 113.57 3jwu s ILE 480 Ca -0.12 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 3jwu s ILE 480 Cb 0.17 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.84 3jwu s ILE 480 CO 0.82 0.54 0.44 -0.13 0.00 0.00 0.00 174.94 176.61 3jwu s ARG 481 N 1.23 1.01 0.11 2.79 0.52 -1.26 -4.85 118.95 118.50 3jwu s ARG 481 Ca 0.03 -0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 3jwu s ARG 481 Cb -0.13 0.45 -0.06 0.00 0.52 0.00 0.00 34.95 35.73 3jwu s ARG 481 CO -0.11 -0.37 0.46 0.71 0.02 0.00 0.00 175.30 176.00 3jwu s TYR 482 N -2.98 3.58 0.62 -0.53 4.12 -1.26 -0.51 117.35 120.39 3jwu s TYR 482 Ca -0.02 0.89 -0.18 0.00 0.02 0.00 0.00 57.07 57.78 3jwu s TYR 482 Cb 0.00 -2.24 -0.02 0.00 -1.52 0.00 0.00 41.96 38.18 3jwu s TYR 482 CO -0.06 0.47 1.19 0.00 0.02 0.00 0.00 175.55 177.17 3jwu s ALA 483 N -1.44 2.48 -0.06 3.71 0.00 0.31 -4.47 121.76 122.29 3jwu s ALA 483 Ca 0.35 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.25 3jwu s ALA 483 Cb -0.14 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.56 3jwu s ALA 483 CO 0.19 -1.25 -0.14 0.20 0.00 0.00 0.00 175.76 174.76 3jwu s GLY 484 N -1.82 0.84 -0.07 0.00 0.00 -1.21 -1.30 107.32 103.76 3jwu s GLY 484 Ca 0.75 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.01 3jwu s GLY 484 CO 0.35 0.02 -0.17 -0.19 0.00 0.00 0.00 173.10 173.11 3jwu s TYR 485 N 0.55 1.87 0.28 1.90 1.51 -0.30 -4.05 117.35 119.11 3jwu s TYR 485 Ca -0.13 -0.69 -0.29 0.00 -1.01 0.00 0.00 57.07 54.94 3jwu s TYR 485 Cb -0.15 -1.30 -0.10 0.00 -0.11 0.00 0.00 41.96 40.31 3jwu s TYR 485 CO 0.04 -0.30 1.12 0.15 -1.11 0.00 0.00 175.55 175.45 3jwu s LYS 486 N 0.42 4.62 0.19 -0.62 1.02 -1.26 -0.96 119.74 123.14 3jwu s LYS 486 Ca -0.14 1.83 0.08 0.00 0.02 0.00 0.00 55.97 57.76 3jwu s LYS 486 Cb -0.16 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3jwu s LYS 486 CO 0.05 0.17 -0.00 -0.65 -0.92 0.00 0.00 175.35 174.00 3jwu s GLN 487 N -1.41 2.37 0.37 1.68 -1.52 -0.35 -4.92 119.66 115.87 3jwu s GLN 487 Ca 0.45 -1.16 0.13 0.00 -1.95 0.00 0.00 55.36 52.83 3jwu s GLN 487 Cb -0.32 -2.32 0.95 0.00 -0.22 0.00 0.00 33.01 31.09 3jwu s GLN 487 CO 0.42 0.44 1.81 -1.35 -0.25 0.00 0.00 175.29 176.35 3jwu h PRO 488 N 2.58 0.54 -0.61 2.91 0.11 -1.97 0.87 132.00 136.43 3jwu h PRO 488 Ca -0.47 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3jwu h PRO 488 Cb 1.21 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3jwu h PRO 488 CO 0.58 0.36 0.41 0.22 -0.21 0.00 0.00 178.00 179.35 3jwu h ASP 489 N 0.55 0.52 0.00 -2.05 1.82 -2.02 -3.46 116.42 111.78 3jwu h ASP 489 Ca 0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 3jwu h ASP 489 Cb 1.13 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.03 3jwu h ASP 489 CO -0.28 0.34 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 3jwu n GLY 490 N -1.48 2.45 0.00 -0.78 0.00 0.30 -5.08 105.19 100.60 3jwu n GLY 490 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3jwu n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwu n SER 491 N 0.00 -0.00 -3.93 1.61 3.41 -1.26 -4.66 113.62 108.78 3jwu n SER 491 Ca 0.00 -0.69 -0.22 0.00 -0.26 0.00 0.00 58.87 57.70 3jwu n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3jwu n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jwu s THR 492 N -0.69 0.76 -0.10 6.66 2.01 -1.26 -1.21 115.64 121.80 3jwu s THR 492 Ca 0.00 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 3jwu s THR 492 Cb 0.00 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 3jwu s THR 492 CO 0.00 0.28 0.37 -0.22 -0.69 0.00 0.00 174.62 174.36 3jwu s LEU 493 N 0.90 4.33 0.00 4.42 2.96 -0.14 -4.93 118.68 126.21 3jwu s LEU 493 Ca -0.11 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 3jwu s LEU 493 Cb -0.15 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.04 3jwu s LEU 493 CO 0.01 0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 3jwu n GLY 494 N 2.83 -0.09 3.52 7.98 0.00 -1.26 -1.15 105.19 117.03 3jwu n GLY 494 Ca -0.12 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 6.35 0.59 1.61 -1.08 -0.42 -4.77 116.67 114.96 3jwu s ASP 495 Ca 0.00 -0.31 0.33 0.00 -0.52 0.00 0.00 52.55 52.06 3jwu s ASP 495 Cb 0.00 -2.37 1.87 0.00 -1.46 0.00 0.00 42.92 40.96 3jwu s ASP 495 CO 0.00 -0.94 2.23 -0.65 0.52 0.00 0.00 175.17 176.33 3jwu h PRO 496 N 9.02 0.00 0.00 4.34 0.11 -1.80 -2.26 132.00 141.40 3jwu h PRO 496 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3jwu h PRO 496 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jwu h PRO 496 CO 0.97 0.03 -0.04 0.00 -0.21 0.00 0.00 178.00 178.75 3jwu h ALA 497 N 1.97 1.43 -0.24 -0.75 0.00 -1.93 -3.01 119.26 116.73 3jwu h ALA 497 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jwu h ALA 497 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jwu h ALA 497 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3jwu n ASN 498 N -3.76 3.73 0.03 0.00 3.02 -0.85 -4.65 115.26 112.78 3jwu n ASN 498 Ca -0.03 -2.98 -0.11 0.00 -0.03 0.00 0.00 54.58 51.43 3jwu n ASN 498 Cb 0.13 -0.52 -0.05 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 1.67 0.81 -0.27 2.41 2.07 -1.61 0.11 116.25 121.45 3jwu h VAL 499 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3jwu h VAL 499 Cb 1.38 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3jwu h VAL 499 CO 0.20 0.00 0.04 -0.61 0.02 0.00 0.00 177.57 177.22 3jwu h GLN 500 N -0.10 0.44 -0.41 1.57 4.15 -1.85 -1.66 115.11 117.25 3jwu h GLN 500 Ca 0.04 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3jwu h GLN 500 Cb 0.16 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3jwu h GLN 500 CO -0.10 0.57 0.24 0.35 -1.93 0.00 0.00 178.83 177.95 3jwu h PHE 501 N 0.26 0.55 -0.80 3.99 3.57 -1.86 -2.20 116.94 120.45 3jwu h PHE 501 Ca 0.08 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.71 3jwu h PHE 501 Cb 0.34 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3jwu h PHE 501 CO 0.02 0.41 0.39 1.15 -2.23 0.00 0.00 178.31 178.05 3jwu h THR 502 N 0.53 0.74 -0.25 4.41 2.02 -0.58 -1.33 112.91 118.45 3jwu h THR 502 Ca 0.14 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3jwu h THR 502 Cb 0.03 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3jwu h THR 502 CO -0.03 0.11 0.13 -0.33 0.37 0.00 0.00 175.52 175.77 3jwu h GLU 503 N 0.58 0.36 -0.53 6.66 5.08 -0.88 -1.25 114.58 124.60 3jwu h GLU 503 Ca 0.43 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 3jwu h GLU 503 Cb 0.58 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 3jwu h GLU 503 CO -0.35 0.35 0.21 0.82 -1.00 0.00 0.00 179.01 179.04 3jwu h ILE 504 N 0.28 0.84 -0.42 3.13 2.04 -0.80 0.60 117.51 123.17 3jwu h ILE 504 Ca 0.09 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3jwu h ILE 504 Cb 0.11 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3jwu h ILE 504 CO -0.01 0.07 0.19 0.00 0.00 0.00 0.00 178.15 178.40 3jwu h ILE 506 N 0.38 1.18 -0.12 0.00 2.04 -0.55 -0.95 117.51 119.48 3jwu h ILE 506 Ca 0.19 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3jwu h ILE 506 Cb 0.13 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3jwu h ILE 506 CO -0.16 0.19 0.12 -0.61 0.00 0.00 0.00 178.15 177.70 3jwu h GLN 507 N 0.67 0.00 -0.00 2.37 4.15 0.84 -0.77 115.11 122.36 3jwu h GLN 507 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3jwu h GLN 507 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3jwu h GLN 507 CO -0.03 0.00 -0.42 1.04 -1.93 0.00 0.00 178.83 177.49 3jwu n GLN 508 N -3.98 0.05 0.00 1.69 1.13 0.91 -4.94 117.38 112.24 3jwu n GLN 508 Ca 0.00 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3jwu n GLN 508 Cb 0.23 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.08 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 1.49 1.05 3.70 1.08 0.00 -0.29 -4.97 105.19 107.24 3jwu n GLY 509 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 2.71 -0.53 1.61 -0.00 -0.46 -4.95 118.94 115.32 3jwu s TRP 510 Ca 0.00 0.53 -0.25 0.00 -0.00 0.00 0.00 56.10 56.38 3jwu s TRP 510 Cb 0.00 -3.87 0.04 0.00 -0.00 0.00 0.00 33.47 29.63 3jwu s TRP 510 CO 0.00 -3.37 0.99 0.15 -0.00 0.00 0.00 176.95 174.72 3jwu s LYS 511 N 2.15 3.43 -0.17 5.86 1.02 -1.26 -4.41 119.74 126.35 3jwu s LYS 511 Ca 0.70 -0.03 -0.26 0.00 0.02 0.00 0.00 55.97 56.40 3jwu s LYS 511 Cb -0.39 -4.01 -0.01 0.00 -0.52 0.00 0.00 37.83 32.90 3jwu s LYS 511 CO 0.31 -1.46 0.88 0.00 -0.92 0.00 0.00 175.35 174.16 3jwu s ALA 512 N 4.12 3.52 0.66 5.17 0.00 -1.26 -4.93 121.76 129.04 3jwu s ALA 512 Ca 0.35 0.10 0.45 0.00 0.00 0.00 0.00 51.96 52.86 3jwu s ALA 512 Cb -0.11 -3.30 2.43 0.00 0.00 0.00 0.00 23.12 22.14 3jwu s ALA 512 CO 0.23 -0.69 2.37 -1.35 0.00 0.00 0.00 175.76 176.32 3jwu h PRO 513 N 7.31 0.00 -5.82 0.00 0.11 -1.98 -3.46 132.00 128.15 3jwu h PRO 513 Ca -0.28 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.45 3jwu h PRO 513 Cb 1.13 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.37 3jwu h PRO 513 CO 0.85 0.00 -0.74 0.54 -0.21 0.00 0.00 178.00 178.44 3jwu n ARG 514 N -3.09 -6.87 -2.89 1.05 1.74 -1.26 -5.03 116.66 100.31 3jwu n ARG 514 Ca -0.03 0.80 -0.15 0.00 -0.77 0.00 0.00 57.85 57.69 3jwu n ARG 514 Cb 0.07 -5.77 -0.00 0.00 -1.02 0.00 0.00 32.46 25.74 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 -1.56 2.95 0.07 -0.13 0.00 -1.26 -5.06 105.19 100.19 3jwu n GLY 515 Ca -0.15 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.92 -3.38 114.38 111.11 3jwu h ARG 516 Ca -0.20 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.46 3jwu h ARG 516 Cb 0.73 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.87 3jwu h ARG 516 CO 0.32 0.97 -1.00 1.19 -1.51 0.00 0.00 179.97 179.93 3jwu n PHE 517 N -3.36 1.61 -2.87 2.20 3.01 -1.26 -4.14 117.46 112.66 3jwu n PHE 517 Ca 0.00 -3.78 -0.43 0.00 1.01 0.00 0.00 57.45 54.25 3jwu n PHE 517 Cb 0.92 -0.43 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 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 -2.86 6.57 0.13 4.37 1.01 -1.26 -4.92 116.67 119.70 3jwu s ASP 518 Ca 0.42 0.32 -0.31 0.00 0.71 0.00 0.00 52.55 53.69 3jwu s ASP 518 Cb 0.34 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.73 3jwu s ASP 518 CO -0.10 -0.89 1.85 -0.69 0.21 0.00 0.00 175.17 175.56 3jwu s VAL 519 N 3.44 2.49 0.55 -1.27 1.01 -1.26 -0.53 120.40 124.83 3jwu s VAL 519 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 3jwu s VAL 519 Cb -0.12 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3jwu s VAL 519 CO 0.21 -0.00 1.09 -0.76 0.00 0.00 0.00 175.10 175.64 3jwu s LEU 520 N 2.79 3.69 0.81 3.92 1.43 0.33 -4.86 118.68 126.80 3jwu s LEU 520 Ca 0.82 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3jwu s LEU 520 Cb -0.47 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.27 3jwu s LEU 520 CO 0.37 -1.14 1.09 -2.16 0.23 0.00 0.00 176.35 174.74 3jwu s PRO 521 N -3.50 1.94 0.15 1.29 0.04 -1.26 -4.76 135.00 128.90 3jwu s PRO 521 Ca 0.69 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 3jwu s PRO 521 Cb -0.20 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3jwu s PRO 521 CO 0.28 -1.74 0.62 -0.51 0.04 0.00 0.00 177.00 175.69 3jwu s LEU 522 N -5.88 4.39 -0.28 -3.56 1.43 0.58 -4.90 118.68 110.46 3jwu s LEU 522 Ca 0.61 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 3jwu s LEU 522 Cb -0.15 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.87 3jwu s LEU 522 CO 0.55 0.13 0.04 -0.22 0.23 0.00 0.00 176.35 177.07 3jwu s LEU 523 N -1.74 2.71 -0.11 1.79 0.20 -1.26 -0.89 118.68 119.39 3jwu s LEU 523 Ca 0.37 -1.52 0.02 0.00 0.69 0.00 0.00 54.13 53.70 3jwu s LEU 523 Cb -0.17 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.51 3jwu s LEU 523 CO 0.20 -0.34 -0.18 -0.76 -0.29 0.00 0.00 176.35 174.97 3jwu s LEU 524 N 1.44 2.44 -0.24 -0.68 1.43 -0.44 -1.93 118.68 120.69 3jwu s LEU 524 Ca 0.04 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3jwu s LEU 524 Cb -0.18 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3jwu s LEU 524 CO -0.15 0.18 -0.04 -1.58 0.23 0.00 0.00 176.35 175.00 3jwu s GLN 525 N 0.23 3.08 -0.21 1.70 0.74 -0.10 -1.01 119.66 124.08 3jwu s GLN 525 Ca -0.12 -0.82 -0.06 0.00 0.05 0.00 0.00 55.36 54.41 3jwu s GLN 525 Cb -0.16 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 30.88 3jwu s GLN 525 CO 0.06 -0.33 0.03 0.00 -0.55 0.00 0.00 175.29 174.51 3jwu s ALA 526 N 1.41 3.16 -1.44 1.58 0.00 -1.26 -0.66 121.76 124.55 3jwu s ALA 526 Ca 0.03 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 3jwu s ALA 526 Cb -0.16 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.12 3jwu s ALA 526 CO -0.03 -0.14 0.66 -1.71 0.00 0.00 0.00 175.76 174.53 3jwu n ASN 527 N 4.22 -5.06 0.00 0.00 4.05 -1.17 -1.72 115.26 115.58 3jwu n ASN 527 Ca -0.17 -0.41 0.00 0.00 0.45 0.00 0.00 54.58 54.45 3jwu n ASN 527 Cb 0.52 -4.10 0.00 0.00 1.23 0.00 0.00 39.78 37.43 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 -1.45 1.65 3.72 8.20 0.00 -0.34 -4.44 105.19 112.52 3jwu n GLY 528 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.19 2.87 0.55 1.61 0.01 -0.70 -4.92 114.94 111.18 3jwu s ASN 529 Ca 0.00 1.07 -0.21 0.00 -0.71 0.00 0.00 52.86 53.01 3jwu s ASN 529 Cb 0.00 -1.69 -0.05 0.00 0.41 0.00 0.00 41.25 39.92 3jwu s ASN 529 CO 0.00 -2.96 1.28 -1.81 -1.51 0.00 0.00 177.10 172.10 3jwu s ASP 530 N -3.69 5.34 0.62 -1.22 -0.00 -1.26 -4.51 116.67 111.95 3jwu s ASP 530 Ca 0.65 2.58 -0.10 0.00 -0.00 0.00 0.00 52.55 55.68 3jwu s ASP 530 Cb -0.17 -2.62 -0.02 0.00 -0.00 0.00 0.00 42.92 40.11 3jwu s ASP 530 CO 0.56 -1.51 1.01 -2.16 -0.00 0.00 0.00 175.17 173.07 3jwu s PRO 531 N -3.02 3.34 0.05 8.23 0.04 -1.26 -4.69 135.00 137.68 3jwu s PRO 531 Ca 0.73 0.54 0.07 0.00 0.04 0.00 0.00 61.00 62.39 3jwu s PRO 531 Cb -0.36 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3jwu s PRO 531 CO 0.41 -0.66 -0.21 -1.21 0.04 0.00 0.00 177.00 175.37 3jwu s GLU 532 N -5.16 1.42 0.10 4.56 2.02 -0.18 -4.82 118.70 116.64 3jwu s GLU 532 Ca 0.55 -0.96 -0.23 0.00 0.02 0.00 0.00 54.97 54.35 3jwu s GLU 532 Cb -0.11 -1.54 -0.07 0.00 0.10 0.00 0.00 34.13 32.51 3jwu s GLU 532 CO 0.52 0.39 0.69 -0.51 0.02 0.00 0.00 175.26 176.36 3jwu s LEU 533 N -1.20 4.54 -0.05 1.80 1.43 -1.26 -1.33 118.68 122.60 3jwu s LEU 533 Ca 0.08 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 3jwu s LEU 533 Cb -0.09 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.05 3jwu s LEU 533 CO 0.02 0.20 0.11 -0.36 0.23 0.00 0.00 176.35 176.55 3jwu s PHE 534 N -0.90 -0.11 -0.20 0.29 0.40 -0.07 -4.97 117.98 112.42 3jwu s PHE 534 Ca 0.33 0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 56.78 3jwu s PHE 534 Cb -0.21 -0.09 -0.01 0.00 0.51 0.00 0.00 43.02 43.22 3jwu s PHE 534 CO 0.22 -0.13 0.82 -1.14 0.70 0.00 0.00 175.22 175.69 3jwu s GLN 535 N 0.93 4.24 0.17 0.44 2.00 -1.26 -0.31 119.66 125.87 3jwu s GLN 535 Ca -0.07 0.96 -0.32 0.00 -2.00 0.00 0.00 55.36 53.93 3jwu s GLN 535 Cb -0.10 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 30.00 3jwu s GLN 535 CO -0.04 -0.41 1.59 0.42 -0.50 0.00 0.00 175.29 176.35 3jwu s ILE 536 N 2.44 2.54 -0.17 -2.34 1.01 -1.26 -4.91 121.20 118.51 3jwu s ILE 536 Ca 0.36 0.39 -0.38 0.00 0.00 0.00 0.00 60.65 61.02 3jwu s ILE 536 Cb -0.16 -3.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.92 3jwu s ILE 536 CO 0.10 0.03 1.75 -2.65 0.00 0.00 0.00 174.94 174.17 3jwu n PRO 537 N 3.94 1.51 -0.26 2.79 -0.02 -1.26 -4.83 135.00 136.87 3jwu n PRO 537 Ca 0.14 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.33 3jwu n PRO 537 Cb 0.38 -2.29 0.45 0.00 -0.02 0.00 0.00 33.50 32.02 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 7.56 0.52 0.00 0.52 0.11 -1.94 0.25 132.00 139.02 3jwu h PRO 538 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jwu h PRO 538 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jwu h PRO 538 CO 0.94 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 178.22 3jwu n GLU 539 N -4.55 0.08 0.08 1.05 0.00 -1.26 -1.48 120.64 114.55 3jwu n GLU 539 Ca 0.19 0.37 0.12 0.00 0.00 0.00 0.00 57.16 57.83 3jwu n GLU 539 Cb 0.60 -1.67 0.10 0.00 0.00 0.00 0.00 31.44 30.47 3jwu n GLU 539 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3jwu h LEU 540 N 0.00 0.00 -8.09 -1.84 3.38 -0.85 -3.44 115.31 104.48 3jwu h LEU 540 Ca 0.00 -0.15 -0.73 0.00 0.09 0.00 0.00 57.88 57.08 3jwu h LEU 540 Cb 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.78 3jwu h LEU 540 CO 0.00 0.08 0.03 -0.69 0.09 0.00 0.00 178.44 177.95 3jwu s VAL 541 N -3.23 5.05 -0.09 1.22 1.01 -0.55 -4.76 120.40 119.05 3jwu s VAL 541 Ca 0.04 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 3jwu s VAL 541 Cb 0.12 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3jwu s VAL 541 CO 0.75 -1.05 1.09 -0.22 0.00 0.00 0.00 175.10 175.67 3jwu s LEU 542 N 2.00 4.26 0.17 3.92 2.96 -1.26 -5.00 118.68 125.73 3jwu s LEU 542 Ca 0.10 1.65 0.10 0.00 -0.22 0.00 0.00 54.13 55.76 3jwu s LEU 542 Cb -0.24 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 3jwu s LEU 542 CO 0.02 -0.51 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.73 3jwu s GLU 543 N 2.11 1.35 -0.21 1.98 2.02 -1.26 -0.41 118.70 124.27 3jwu s GLU 543 Ca 0.51 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 54.09 3jwu s GLU 543 Cb -0.21 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.52 3jwu s GLU 543 CO 0.19 0.32 -0.15 0.08 0.02 0.00 0.00 175.26 175.73 3jwu s VAL 544 N -1.79 2.24 0.36 2.63 1.01 0.59 -4.91 120.40 120.53 3jwu s VAL 544 Ca 0.16 -1.13 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 3jwu s VAL 544 Cb -0.07 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 3jwu s VAL 544 CO 0.07 0.33 1.28 -2.16 0.00 0.00 0.00 175.10 174.63 3jwu s PRO 545 N 1.25 4.24 -0.36 2.72 0.04 -1.26 -1.98 135.00 139.65 3jwu s PRO 545 Ca 0.01 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 3jwu s PRO 545 Cb -0.15 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.43 3jwu s PRO 545 CO -0.09 -0.26 0.23 0.42 0.04 0.00 0.00 177.00 177.34 3jwu s ILE 546 N -1.20 5.02 0.31 0.56 -1.09 -0.39 -4.85 121.20 119.56 3jwu s ILE 546 Ca 0.52 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.52 3jwu s ILE 546 Cb -0.38 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 3jwu s ILE 546 CO 0.50 -0.11 -0.01 0.00 -1.23 0.00 0.00 174.94 174.09 3jwu s ARG 547 N 1.66 1.64 -0.05 2.79 3.03 -1.26 -4.06 118.95 122.70 3jwu s ARG 547 Ca 0.05 -1.87 0.05 0.00 2.03 0.00 0.00 55.73 55.98 3jwu s ARG 547 Cb -0.18 -1.15 -0.02 0.00 -1.03 0.00 0.00 34.95 32.57 3jwu s ARG 547 CO 0.09 -0.04 -0.19 -1.58 -1.13 0.00 0.00 175.30 172.45 3jwu s HIS 548 N -3.05 2.59 0.48 5.89 2.46 -1.26 -4.40 115.29 118.01 3jwu s HIS 548 Ca 0.32 -0.38 0.30 0.00 0.47 0.00 0.00 55.06 55.77 3jwu s HIS 548 Cb 0.06 -1.62 1.67 0.00 -0.13 0.00 0.00 32.58 32.56 3jwu s HIS 548 CO 0.14 0.01 2.16 -1.00 -2.47 0.00 0.00 174.74 173.58 3jwu h PRO 549 N 5.68 0.00 0.00 2.88 0.13 -1.92 -3.27 132.00 135.49 3jwu h PRO 549 Ca -0.40 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 3jwu h PRO 549 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3jwu h PRO 549 CO 0.50 0.06 -2.03 1.63 -0.23 0.00 0.00 178.00 177.93 3jwu n LYS 550 N -3.63 0.43 -3.17 0.86 5.02 -1.26 -4.99 118.16 111.42 3jwu n LYS 550 Ca -0.02 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 3jwu n LYS 550 Cb 0.17 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.35 3.12 0.36 2.13 2.99 -1.24 -4.94 117.98 118.04 3jwu s PHE 551 Ca -0.25 -0.01 0.14 0.00 0.00 0.00 0.00 56.93 56.81 3jwu s PHE 551 Cb 0.08 -3.15 0.75 0.00 0.00 0.00 0.00 43.02 40.69 3jwu s PHE 551 CO 0.38 -0.74 1.83 0.22 -0.00 0.00 0.00 175.22 176.91 3jwu h ASP 552 N 8.71 0.00 1.04 1.36 3.58 -1.94 -2.38 116.42 126.79 3jwu h ASP 552 Ca -0.26 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 3jwu h ASP 552 Cb 1.11 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 3jwu h ASP 552 CO 0.84 0.37 -0.00 4.11 -2.88 0.00 0.00 179.24 181.68 3jwu h TRP 553 N 0.00 0.00 -0.72 0.28 5.08 -1.95 -3.32 115.95 115.31 3jwu h TRP 553 Ca -0.00 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.09 3jwu h TRP 553 Cb 0.67 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.74 3jwu h TRP 553 CO 0.00 0.00 0.28 0.35 -1.28 0.00 0.00 178.44 177.79 3jwu h PHE 554 N 0.00 0.48 -0.25 0.12 3.57 -1.79 -0.50 116.94 118.57 3jwu h PHE 554 Ca -0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.61 3jwu h PHE 554 Cb 0.52 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3jwu h PHE 554 CO 0.00 0.07 0.28 1.57 -2.23 0.00 0.00 178.31 178.00 3jwu h LYS 555 N 0.44 0.00 0.00 1.11 2.10 -1.70 -2.36 116.57 116.15 3jwu h LYS 555 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3jwu h LYS 555 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3jwu h LYS 555 CO -0.38 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.82 3jwu n ASP 556 N -3.75 0.56 0.07 7.07 8.00 -0.20 -2.79 116.55 125.51 3jwu n ASP 556 Ca 0.03 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.22 3jwu n ASP 556 Cb 0.42 -0.74 0.37 0.00 -0.02 0.00 0.00 41.12 41.15 3jwu n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3jwu n LEU 557 N -2.08 0.31 -0.42 0.64 4.77 -0.89 -4.88 117.00 114.45 3jwu n LEU 557 Ca 0.04 0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 56.56 3jwu n LEU 557 Cb 0.28 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3jwu n LEU 557 CO 0.22 -0.49 -0.05 0.61 -1.33 0.00 0.00 177.39 176.35 3jwu n GLY 558 N -0.40 0.74 3.81 -0.72 0.00 -1.12 -5.02 105.19 102.48 3jwu n GLY 558 Ca 0.02 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.23 4.42 0.22 0.99 1.43 -1.26 -5.02 118.68 118.23 3jwu s LEU 559 Ca 0.00 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 3jwu s LEU 559 Cb 0.00 -3.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 3jwu s LEU 559 CO 0.00 0.11 0.40 -1.59 0.23 0.00 0.00 176.35 175.50 3jwu s LYS 560 N -1.67 1.42 0.19 1.70 -2.85 -1.26 -1.27 119.74 116.00 3jwu s LYS 560 Ca 0.39 -1.27 -0.12 0.00 -1.00 0.00 0.00 55.97 53.97 3jwu s LYS 560 Cb -0.18 0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 36.02 3jwu s LYS 560 CO 0.21 -0.56 0.38 -0.46 0.10 0.00 0.00 175.35 175.02 3jwu s TRP 561 N -4.02 0.29 0.25 1.78 -0.11 -0.84 -4.94 118.94 111.35 3jwu s TRP 561 Ca 0.23 -0.65 -0.09 0.00 1.22 0.00 0.00 56.10 56.82 3jwu s TRP 561 Cb 0.01 0.09 -0.07 0.00 -1.50 0.00 0.00 33.47 32.00 3jwu s TRP 561 CO 0.07 -0.83 0.55 1.52 -4.62 0.00 0.00 176.95 173.65 3jwu s TYR 562 N -3.96 3.44 -0.20 5.86 -0.85 -1.26 -0.30 117.35 120.08 3jwu s TYR 562 Ca 0.17 0.82 0.21 0.00 -0.52 0.00 0.00 57.07 57.75 3jwu s TYR 562 Cb 0.01 -2.23 0.39 0.00 0.38 0.00 0.00 41.96 40.52 3jwu s TYR 562 CO 0.02 0.24 1.60 0.78 -1.52 0.00 0.00 175.55 176.67 3jwu h GLY 563 N 2.33 0.00 -7.58 5.49 0.00 -1.08 -3.45 103.07 98.78 3jwu h GLY 563 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.16 3jwu h GLY 563 CO 0.68 0.00 -0.56 -2.27 0.00 0.00 0.00 176.54 174.39 3jwu s LEU 564 N -6.40 4.70 -0.27 3.11 2.96 -1.26 -4.52 118.68 117.00 3jwu s LEU 564 Ca 0.04 -1.42 -0.25 0.00 -0.22 0.00 0.00 54.13 52.29 3jwu s LEU 564 Cb 0.07 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3jwu s LEU 564 CO 0.69 -0.42 0.86 -2.16 -1.32 0.00 0.00 176.35 173.99 3jwu s PRO 565 N 1.35 4.11 -0.35 0.98 0.04 -1.26 -4.70 135.00 135.18 3jwu s PRO 565 Ca 0.01 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 3jwu s PRO 565 Cb -0.21 -3.68 0.13 0.00 0.04 0.00 0.00 34.50 30.78 3jwu s PRO 565 CO 0.01 -0.62 0.19 0.00 0.04 0.00 0.00 177.00 176.62 3jwu s ALA 566 N 2.99 1.07 -0.04 8.56 0.00 -1.26 -2.55 121.76 130.53 3jwu s ALA 566 Ca 0.36 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 3jwu s ALA 566 Cb -0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 3jwu s ALA 566 CO 0.10 -1.97 1.43 0.08 0.00 0.00 0.00 175.76 175.40 3jwu s VAL 567 N 1.25 3.79 0.00 0.00 1.01 0.40 -0.94 120.40 125.91 3jwu s VAL 567 Ca 0.15 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3jwu s VAL 567 Cb -0.21 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3jwu s VAL 567 CO -0.10 -0.04 0.57 -1.54 0.00 0.00 0.00 175.10 173.99 3jwu n SER 568 N 6.02 1.08 -0.69 3.32 3.41 -0.34 -1.23 113.62 125.20 3jwu n SER 568 Ca 0.14 -1.25 0.07 0.00 -0.26 0.00 0.00 58.87 57.57 3jwu n SER 568 Cb 0.44 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.12 2.81 -4.96 4.04 2.04 -1.21 -4.39 115.26 113.47 3jwu n ASN 569 Ca 0.00 -1.87 -0.23 0.00 -0.44 0.00 0.00 54.58 52.04 3jwu n ASN 569 Cb 0.11 -0.20 0.03 0.00 -2.53 0.00 0.00 39.78 37.20 3jwu n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jwu s MET 570 N -1.02 2.70 -0.13 -3.83 -1.94 -1.26 -4.40 119.30 109.42 3jwu s MET 570 Ca 0.24 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 3jwu s MET 570 Cb 0.13 -2.45 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 3jwu s MET 570 CO 0.18 -0.64 -0.14 -1.17 -0.01 0.00 0.00 175.02 173.24 3jwu s LEU 571 N -4.78 2.65 -0.29 -0.03 0.20 0.10 -4.35 118.68 112.18 3jwu s LEU 571 Ca 0.55 -0.35 -0.12 0.00 0.69 0.00 0.00 54.13 54.89 3jwu s LEU 571 Cb -0.10 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 3jwu s LEU 571 CO 0.40 0.16 0.24 -0.22 -0.29 0.00 0.00 176.35 176.64 3jwu s LEU 572 N 0.36 4.11 -0.28 -0.68 2.96 0.00 -0.48 118.68 124.67 3jwu s LEU 572 Ca -0.12 -0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 3jwu s LEU 572 Cb -0.16 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3jwu s LEU 572 CO 0.06 -0.11 0.09 -0.70 -1.32 0.00 0.00 176.35 174.37 3jwu s GLU 573 N 1.83 3.36 -0.14 1.98 2.12 -0.27 -0.28 118.70 127.30 3jwu s GLU 573 Ca 0.09 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.73 3jwu s GLU 573 Cb -0.16 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 30.87 3jwu s GLU 573 CO 0.11 -0.34 -0.08 0.42 -0.54 0.00 0.00 175.26 174.83 3jwu s ILE 574 N 1.57 1.17 -1.58 -3.70 1.01 -0.73 -2.00 121.20 116.93 3jwu s ILE 574 Ca 0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 3jwu s ILE 574 Cb -0.16 -1.24 0.11 0.00 0.01 0.00 0.00 42.46 41.18 3jwu s ILE 574 CO 0.04 0.28 0.92 0.61 0.00 0.00 0.00 174.94 176.79 3jwu n GLY 575 N 4.88 -0.48 2.31 6.18 0.00 -1.26 -1.21 105.19 115.61 3jwu n GLY 575 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.61 2.31 3.81 -0.02 0.00 -1.26 -3.61 105.19 104.81 3jwu n GLY 576 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 4.48 -0.20 0.99 1.43 -0.35 -5.02 118.68 120.02 3jwu s LEU 577 Ca 0.00 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3jwu s LEU 577 Cb 0.00 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 43.09 3jwu s LEU 577 CO 0.00 0.20 -0.13 -1.61 0.23 0.00 0.00 176.35 175.03 3jwu s GLU 578 N -1.39 3.14 -0.46 1.70 2.02 -1.26 -1.78 118.70 120.67 3jwu s GLU 578 Ca 0.34 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.49 3jwu s GLU 578 Cb -0.19 -2.76 0.11 0.00 0.10 0.00 0.00 34.13 31.39 3jwu s GLU 578 CO 0.21 -0.21 0.32 -0.06 0.02 0.00 0.00 175.26 175.53 3jwu s PHE 579 N 1.37 3.43 -0.94 1.61 0.40 0.62 0.16 117.98 124.63 3jwu s PHE 579 Ca 0.05 -1.89 0.27 0.00 -0.60 0.00 0.00 56.93 54.75 3jwu s PHE 579 Cb -0.14 -3.38 0.79 0.00 0.51 0.00 0.00 43.02 40.80 3jwu s PHE 579 CO -0.09 -0.97 1.63 -1.13 0.70 0.00 0.00 175.22 175.36 3jwu n SER 580 N 4.87 0.36 -3.84 1.36 3.41 -1.26 -0.82 113.62 117.70 3jwu n SER 580 Ca -0.08 0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 3jwu n SER 580 Cb 0.41 -0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.08 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 -3.03 1.73 -0.39 7.33 0.00 -1.22 -4.64 121.76 121.54 3jwu s ALA 581 Ca 0.12 -1.45 0.11 0.00 0.00 0.00 0.00 51.96 50.73 3jwu s ALA 581 Cb 0.17 -1.50 0.37 0.00 0.00 0.00 0.00 23.12 22.16 3jwu s ALA 581 CO 0.63 -1.40 0.97 0.00 0.00 0.00 0.00 175.76 175.96 3jwu n PRO 583 N 0.12 2.24 -4.23 0.00 -0.04 -1.17 -4.66 135.00 127.26 3jwu n PRO 583 Ca 0.13 0.80 -0.17 0.00 -0.04 0.00 0.00 63.50 64.23 3jwu n PRO 583 Cb 0.73 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.48 1.32 -0.00 0.54 -0.12 -0.36 -1.42 117.98 118.41 3jwu s PHE 584 Ca 0.73 -0.61 -0.12 0.00 -0.05 0.00 0.00 56.93 56.87 3jwu s PHE 584 Cb -0.63 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.09 3jwu s PHE 584 CO 0.43 0.11 0.25 -1.54 -0.05 0.00 0.00 175.22 174.42 3jwu s SER 585 N -2.62 -0.10 0.00 1.98 1.04 -0.33 -0.45 113.70 113.22 3jwu s SER 585 Ca 0.10 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3jwu s SER 585 Cb -0.03 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3jwu s SER 585 CO 0.02 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3jwu n GLY 586 N 1.28 3.71 3.13 7.32 0.00 -1.06 -2.19 105.19 117.38 3jwu n GLY 586 Ca -0.22 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 3.26 0.44 0.38 1.61 -2.14 -1.26 -4.50 118.94 116.73 3jwu s TRP 587 Ca 0.00 -0.95 -0.25 0.00 2.66 0.00 0.00 56.10 57.57 3jwu s TRP 587 Cb 0.00 -0.30 -0.09 0.00 -3.10 0.00 0.00 33.47 29.98 3jwu s TRP 587 CO 0.00 -0.44 1.06 0.71 -2.66 0.00 0.00 176.95 175.62 3jwu s TYR 588 N -3.91 3.30 0.07 1.66 1.51 -1.26 -4.91 117.35 113.80 3jwu s TYR 588 Ca 0.08 1.65 -0.24 0.00 -1.01 0.00 0.00 57.07 57.55 3jwu s TYR 588 Cb 0.07 -3.16 -0.06 0.00 -0.11 0.00 0.00 41.96 38.69 3jwu s TYR 588 CO -0.09 -0.65 0.72 1.41 -1.11 0.00 0.00 175.55 175.82 3jwu s MET 589 N -2.34 4.45 0.27 -0.62 -2.45 -1.26 -1.03 119.30 116.32 3jwu s MET 589 Ca 0.56 1.00 -0.00 0.00 -1.25 0.00 0.00 55.69 55.99 3jwu s MET 589 Cb -0.24 -3.32 0.57 0.00 1.25 0.00 0.00 34.83 33.10 3jwu s MET 589 CO 0.30 0.42 1.73 0.78 1.05 0.00 0.00 175.02 179.30 3jwu h GLY 590 N 5.14 1.36 1.95 2.11 0.00 -0.30 -1.98 103.07 111.35 3jwu h GLY 590 Ca -0.46 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 46.69 3jwu h GLY 590 CO 0.68 -0.13 0.02 -0.91 0.00 0.00 0.00 176.54 176.20 3jwu h THR 591 N 0.49 0.76 -0.69 4.70 1.35 -1.94 -0.90 112.91 116.69 3jwu h THR 591 Ca 0.48 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.39 3jwu h THR 591 Cb 0.78 0.99 -0.05 0.00 -1.73 0.00 0.00 68.15 68.13 3jwu h THR 591 CO -0.43 0.00 0.41 -0.33 -0.25 0.00 0.00 175.52 174.92 3jwu h GLU 592 N 0.00 0.75 0.00 4.72 5.08 -1.76 0.83 114.58 124.19 3jwu h GLU 592 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3jwu h GLU 592 Cb 0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3jwu h GLU 592 CO -0.00 0.49 -0.05 0.82 -1.00 0.00 0.00 179.01 179.27 3jwu h ILE 593 N 0.77 0.43 -0.16 3.13 2.04 -1.63 -0.53 117.51 121.55 3jwu h ILE 593 Ca 0.30 -1.34 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 3jwu h ILE 593 Cb 0.13 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3jwu h ILE 593 CO -0.16 0.15 -0.34 1.23 0.00 0.00 0.00 178.15 179.03 3jwu h GLY 594 N -1.00 0.36 0.00 5.37 0.00 -1.17 0.09 103.07 106.72 3jwu h GLY 594 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 3jwu h GLY 594 CO -0.00 0.29 -1.26 -0.62 0.00 0.00 0.00 176.54 174.95 3jwu n VAL 595 N -4.08 1.49 -0.04 4.60 0.31 0.24 -4.15 118.33 116.70 3jwu n VAL 595 Ca -0.01 0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3jwu n VAL 595 Cb 0.44 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 31.12 3jwu n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jwu h ARG 596 N -1.00 -0.03 -0.66 5.55 2.47 -1.46 -2.08 114.38 117.18 3jwu h ARG 596 Ca -0.23 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.43 3jwu h ARG 596 Cb 1.06 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.36 3jwu h ARG 596 CO -0.14 0.35 0.14 -0.44 0.56 0.00 0.00 179.97 180.45 3jwu h ASP 597 N -0.99 1.02 0.38 7.04 3.32 -0.75 -2.69 116.42 123.74 3jwu h ASP 597 Ca -0.00 -0.24 -0.32 0.00 0.02 0.00 0.00 57.03 56.49 3jwu h ASP 597 Cb 0.40 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3jwu h ASP 597 CO 0.01 1.00 -1.74 1.88 -1.72 0.00 0.00 179.24 178.67 3jwu h TYR 598 N 0.99 0.26 0.00 4.55 0.99 -1.16 -2.31 116.97 120.29 3jwu h TYR 598 Ca 0.20 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3jwu h TYR 598 Cb 0.39 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.11 3jwu h TYR 598 CO 0.03 1.34 -0.34 0.00 -0.00 0.00 0.00 178.16 179.19 3jwu n ASP 600 N -1.17 2.51 -0.22 0.00 9.92 -1.02 -4.65 116.55 121.92 3jwu n ASP 600 Ca 0.01 1.17 0.05 0.00 -0.53 0.00 0.00 54.79 55.49 3jwu n ASP 600 Cb 0.11 -1.42 0.31 0.00 -0.64 0.00 0.00 41.12 39.48 3jwu n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jwu h ASN 601 N 3.39 0.75 -0.41 -2.24 -0.73 -1.93 -1.58 115.58 112.84 3jwu h ASN 601 Ca -0.45 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.73 3jwu h ASN 601 Cb 1.29 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.72 3jwu h ASN 601 CO 0.70 0.49 0.00 -1.54 -0.37 0.00 0.00 177.43 176.70 3jwu n SER 602 N -4.48 3.79 0.00 1.15 3.41 -1.26 -4.65 113.62 111.57 3jwu n SER 602 Ca 0.12 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 3jwu n SER 602 Cb 0.21 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3jwu n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jwu n ARG 603 N 0.55 0.89 0.23 4.33 5.12 -0.61 -4.26 116.66 122.92 3jwu n ARG 603 Ca 0.18 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.21 3jwu n ARG 603 Cb 0.77 0.00 0.53 0.00 -1.16 0.00 0.00 32.46 32.59 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 -6.17 -1.55 -1.99 -1.56 -3.41 116.97 102.29 3jwu h TYR 604 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3jwu h TYR 604 Cb 0.00 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.77 3jwu h TYR 604 CO 0.00 0.19 -0.85 -1.71 -0.00 0.00 0.00 178.16 175.79 3jwu n ASN 605 N -3.40 -1.28 -0.69 3.88 4.05 0.08 -4.88 115.26 113.01 3jwu n ASN 605 Ca -0.00 -0.87 0.11 0.00 0.45 0.00 0.00 54.58 54.27 3jwu n ASN 605 Cb 0.39 -3.84 0.34 0.00 1.23 0.00 0.00 39.78 37.89 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 -4.27 0.25 0.01 -1.44 -5.35 -0.25 -4.44 119.36 103.87 3jwu n ILE 606 Ca -0.29 -0.43 -0.10 0.00 -0.27 0.00 0.00 62.75 61.66 3jwu n ILE 606 Cb 0.68 0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 39.09 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 2.80 -0.35 -0.06 7.28 3.38 -1.88 -1.91 115.31 124.57 3jwu h LEU 607 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3jwu h LEU 607 Cb 0.61 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3jwu h LEU 607 CO 0.00 -0.16 -0.27 -0.33 0.09 0.00 0.00 178.44 177.77 3jwu h GLU 608 N -0.15 -0.37 -0.49 1.13 5.08 -2.00 -1.50 114.58 116.28 3jwu h GLU 608 Ca 0.07 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3jwu h GLU 608 Cb 0.26 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 3jwu h GLU 608 CO -0.18 -0.25 -0.00 0.93 -1.00 0.00 0.00 179.01 178.51 3jwu h GLU 609 N -0.38 0.11 -0.10 2.33 5.08 -1.80 -1.29 114.58 118.53 3jwu h GLU 609 Ca 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3jwu h GLU 609 Cb 0.50 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3jwu h GLU 609 CO -0.27 0.07 -0.02 0.28 -1.00 0.00 0.00 179.01 178.07 3jwu h VAL 610 N 0.11 1.28 0.00 3.13 2.07 -1.00 -2.49 116.25 119.35 3jwu h VAL 610 Ca 0.25 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3jwu h VAL 610 Cb 0.37 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3jwu h VAL 610 CO -0.41 0.25 -0.15 0.00 0.02 0.00 0.00 177.57 177.29 3jwu h ALA 611 N 0.70 1.60 -0.05 1.67 0.00 -1.17 -1.63 119.26 120.37 3jwu h ALA 611 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3jwu h ALA 611 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3jwu h ALA 611 CO 0.01 0.18 0.02 0.87 0.00 0.00 0.00 179.25 180.33 3jwu h LYS 612 N 0.00 0.08 0.00 0.00 1.57 -1.02 -2.31 116.57 114.88 3jwu h LYS 612 Ca -0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3jwu h LYS 612 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3jwu h LYS 612 CO 0.02 0.21 -0.27 0.87 -0.57 0.00 0.00 179.45 179.71 3jwu h LYS 613 N -0.07 0.00 0.00 3.15 1.79 -0.92 -1.69 116.57 118.84 3jwu h LYS 613 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3jwu h LYS 613 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3jwu h LYS 613 CO -0.00 0.27 0.00 -1.33 -1.08 0.00 0.00 179.45 177.31 3jwu n MET 614 N -4.07 0.30 -3.69 3.15 2.81 -0.69 -4.93 117.12 110.00 3jwu n MET 614 Ca -0.02 0.03 -0.24 0.00 -1.81 0.00 0.00 57.70 55.66 3jwu n MET 614 Cb 0.33 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.34 -3.37 -4.90 7.83 2.03 -0.63 -5.00 116.55 111.17 3jwu n ASP 615 Ca 0.11 -0.72 -0.28 0.00 0.52 0.00 0.00 54.79 54.42 3jwu n ASP 615 Cb 0.24 -4.39 0.04 0.00 -0.72 0.00 0.00 41.12 36.29 3jwu n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jwu s LEU 616 N -6.92 3.09 -0.68 -2.67 1.43 -0.90 -5.01 118.68 107.02 3jwu s LEU 616 Ca 0.31 0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 3jwu s LEU 616 Cb -0.15 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.36 3jwu s LEU 616 CO 0.79 -1.17 1.09 -0.62 0.23 0.00 0.00 176.35 176.67 3jwu s ASP 617 N -4.32 6.19 0.00 2.29 3.68 -1.26 -4.85 116.67 118.39 3jwu s ASP 617 Ca 0.56 -0.69 0.20 0.00 2.13 0.00 0.00 52.55 54.75 3jwu s ASP 617 Cb -0.11 -2.48 0.59 0.00 -1.45 0.00 0.00 42.92 39.48 3jwu s ASP 617 CO 0.49 -1.58 1.47 0.23 0.13 0.00 0.00 175.17 175.90 3jwu n MET 618 N 8.37 2.00 -0.24 4.34 2.81 -1.26 -4.31 117.12 128.82 3jwu n MET 618 Ca -0.00 -1.52 -0.07 0.00 -1.81 0.00 0.00 57.70 54.30 3jwu n MET 618 Cb 0.47 -1.42 0.04 0.00 -0.71 0.00 0.00 33.22 31.60 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 2.92 1.02 -5.28 0.03 3.08 -2.04 -3.44 114.38 110.67 3jwu h ARG 619 Ca 0.00 -0.19 -0.50 0.00 0.07 0.00 0.00 59.98 59.36 3jwu h ARG 619 Cb 0.65 -0.16 -0.29 0.00 0.08 0.00 0.00 29.97 30.24 3jwu h ARG 619 CO 0.00 0.86 -0.82 -1.59 -1.07 0.00 0.00 179.97 177.35 3jwu s LYS 620 N -5.52 1.22 0.51 0.04 -2.85 -1.26 -5.01 119.74 106.87 3jwu s LYS 620 Ca -0.13 -0.51 0.24 0.00 -1.00 0.00 0.00 55.97 54.57 3jwu s LYS 620 Cb 0.14 -1.16 1.37 0.00 -2.06 0.00 0.00 37.83 36.11 3jwu s LYS 620 CO 0.82 0.29 2.07 1.79 0.10 0.00 0.00 175.35 180.42 3jwu h THR 621 N 4.87 0.72 0.00 3.79 1.35 -1.92 -2.82 112.91 118.91 3jwu h THR 621 Ca -0.34 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3jwu h THR 621 Cb 1.16 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3jwu h THR 621 CO 0.49 0.12 0.00 -1.54 -0.25 0.00 0.00 175.52 174.34 3jwu n SER 622 N -3.86 0.00 0.00 5.36 3.41 -1.26 -1.68 113.62 115.59 3jwu n SER 622 Ca -0.02 0.48 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 3jwu n SER 622 Cb 0.22 -0.49 0.57 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.49 0.00 -3.19 4.04 3.41 -1.06 -4.92 113.62 110.41 3jwu n SER 623 Ca 0.04 0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.44 3jwu n SER 623 Cb 0.18 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.31 -2.14 -0.29 1.04 4.77 -0.68 -4.89 117.00 113.51 3jwu n LEU 624 Ca 0.10 -0.34 0.04 0.00 -0.03 0.00 0.00 56.01 55.79 3jwu n LEU 624 Cb 0.19 -2.56 0.25 0.00 -2.33 0.00 0.00 43.42 38.97 3jwu n LEU 624 CO 0.18 0.20 1.25 4.11 -1.33 0.00 0.00 177.39 181.80 3jwu h TRP 625 N -1.20 1.02 -0.54 -1.77 5.08 -1.83 -0.58 115.95 116.12 3jwu h TRP 625 Ca -0.48 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.45 3jwu h TRP 625 Cb 1.33 -0.33 -0.02 0.00 -3.00 0.00 0.00 29.16 27.13 3jwu h TRP 625 CO 0.60 0.53 0.07 0.87 -1.28 0.00 0.00 178.44 179.23 3jwu h LYS 626 N 1.00 0.91 -0.49 0.12 1.57 -1.90 -1.95 116.57 115.84 3jwu h LYS 626 Ca 0.38 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 3jwu h LYS 626 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3jwu h LYS 626 CO -0.14 0.89 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.09 3jwu h ASP 627 N 0.80 0.93 -0.14 0.86 5.19 -1.80 -0.43 116.42 121.84 3jwu h ASP 627 Ca 0.16 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 3jwu h ASP 627 Cb 0.44 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3jwu h ASP 627 CO 0.01 1.07 0.07 1.56 -3.12 0.00 0.00 179.24 178.83 3jwu h GLN 628 N 0.78 0.19 -0.53 3.56 4.20 -1.03 -2.48 115.11 119.82 3jwu h GLN 628 Ca 0.13 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3jwu h GLN 628 Cb 0.65 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3jwu h GLN 628 CO 0.04 0.23 0.18 0.00 -0.67 0.00 0.00 178.83 178.61 3jwu h ALA 629 N 0.96 0.69 -0.42 3.87 0.00 -1.35 -2.65 119.26 120.35 3jwu h ALA 629 Ca 0.05 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3jwu h ALA 629 Cb 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 3jwu h ALA 629 CO -0.01 0.33 -0.17 1.25 0.00 0.00 0.00 179.25 180.65 3jwu h LEU 630 N 0.72 -0.59 0.06 0.00 5.85 -0.93 -1.41 115.31 119.01 3jwu h LEU 630 Ca 0.17 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 3jwu h LEU 630 Cb 0.25 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3jwu h LEU 630 CO -0.01 -0.20 -0.04 0.58 -0.34 0.00 0.00 178.44 178.43 3jwu h VAL 631 N -0.08 0.92 -0.59 1.05 2.07 -1.22 -2.45 116.25 115.95 3jwu h VAL 631 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 3jwu h VAL 631 Cb 0.40 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3jwu h VAL 631 CO -0.48 0.00 0.27 -0.33 0.02 0.00 0.00 177.57 177.05 3jwu h GLU 632 N -0.09 0.48 -0.78 1.57 4.39 -1.11 -0.89 114.58 118.14 3jwu h GLU 632 Ca -0.01 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.76 3jwu h GLU 632 Cb 0.08 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 3jwu h GLU 632 CO 0.01 0.31 0.42 0.82 -1.16 0.00 0.00 179.01 179.41 3jwu h ILE 633 N 0.49 0.86 0.00 3.13 2.04 -1.13 -0.88 117.51 122.02 3jwu h ILE 633 Ca 0.28 -0.24 -0.18 0.00 1.00 0.00 0.00 64.86 65.72 3jwu h ILE 633 Cb 0.27 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3jwu h ILE 633 CO -0.24 0.13 -0.84 0.78 0.00 0.00 0.00 178.15 177.98 3jwu h ASN 634 N 0.69 0.11 -0.62 1.72 2.35 -0.84 -1.96 115.58 117.02 3jwu h ASN 634 Ca 0.38 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3jwu h ASN 634 Cb 0.39 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3jwu h ASN 634 CO -0.27 0.89 0.40 0.40 -1.65 0.00 0.00 177.43 177.21 3jwu h ILE 635 N 0.04 1.14 -0.56 2.81 2.04 -0.87 -2.60 117.51 119.52 3jwu h ILE 635 Ca -0.02 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3jwu h ILE 635 Cb 1.46 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3jwu h ILE 635 CO 0.12 0.15 0.27 0.00 0.00 0.00 0.00 178.15 178.69 3jwu h ALA 636 N 1.24 0.72 0.26 1.87 0.00 -0.72 0.54 119.26 123.16 3jwu h ALA 636 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jwu h ALA 636 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3jwu h ALA 636 CO -0.06 0.28 -0.12 0.28 0.00 0.00 0.00 179.25 179.62 3jwu h VAL 637 N 0.75 0.78 -0.37 0.00 2.07 -1.31 -0.25 116.25 117.91 3jwu h VAL 637 Ca 0.19 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3jwu h VAL 637 Cb 0.11 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3jwu h VAL 637 CO -0.02 0.06 0.22 -0.07 0.02 0.00 0.00 177.57 177.78 3jwu h LEU 638 N -0.48 0.36 -0.76 2.57 3.38 -1.37 -2.22 115.31 116.80 3jwu h LEU 638 Ca -0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3jwu h LEU 638 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3jwu h LEU 638 CO 0.06 0.26 0.46 0.22 0.09 0.00 0.00 178.44 179.53 3jwu h TYR 639 N 0.45 0.86 0.14 1.13 3.20 -0.70 -1.84 116.97 120.21 3jwu h TYR 639 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3jwu h TYR 639 Cb -0.00 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3jwu h TYR 639 CO -0.07 0.46 -0.07 0.77 -1.64 0.00 0.00 178.16 177.61 3jwu h SER 640 N 0.87 -0.16 -0.79 -2.11 0.02 -0.76 -0.37 113.55 110.24 3jwu h SER 640 Ca 0.32 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3jwu h SER 640 Cb 0.11 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3jwu h SER 640 CO -0.15 0.10 0.48 -0.26 -1.14 0.00 0.00 176.83 175.86 3jwu h PHE 641 N -0.43 1.03 -0.47 3.45 -1.00 -1.30 -0.45 116.94 117.77 3jwu h PHE 641 Ca -0.02 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 3jwu h PHE 641 Cb 0.34 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3jwu h PHE 641 CO 0.00 0.69 -0.06 1.96 -1.61 0.00 0.00 178.31 179.29 3jwu h GLN 642 N 1.08 0.88 -0.38 1.51 4.20 -1.29 0.11 115.11 121.22 3jwu h GLN 642 Ca 0.28 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3jwu h GLN 642 Cb -0.05 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3jwu h GLN 642 CO -0.05 0.95 0.03 0.77 -0.67 0.00 0.00 178.83 179.86 3jwu h SER 643 N 0.73 0.55 -0.19 1.46 0.02 -0.70 -1.84 113.55 113.57 3jwu h SER 643 Ca 0.13 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3jwu h SER 643 Cb 0.60 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3jwu h SER 643 CO 0.04 0.60 0.00 0.47 -1.14 0.00 0.00 176.83 176.80 3jwu n ASP 644 N -4.28 1.46 -3.93 3.07 9.92 -0.21 -4.95 116.55 117.62 3jwu n ASP 644 Ca 0.02 -1.77 -0.28 0.00 -0.53 0.00 0.00 54.79 52.23 3jwu n ASP 644 Cb 0.24 -0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.60 3jwu n ASP 644 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3jwu n LYS 645 N 0.21 -4.41 -3.93 -1.24 4.01 -0.69 -4.99 118.16 107.12 3jwu n LYS 645 Ca 0.14 0.51 -0.35 0.00 -0.51 0.00 0.00 58.31 58.10 3jwu n LYS 645 Cb 0.27 -5.11 -0.13 0.00 -0.51 0.00 0.00 35.03 29.56 3jwu n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3jwu s VAL 646 N -3.54 4.02 0.08 -0.18 1.01 0.32 -4.35 120.40 117.75 3jwu s VAL 646 Ca 0.37 -0.28 -0.37 0.00 0.00 0.00 0.00 61.98 61.70 3jwu s VAL 646 Cb -0.19 -2.84 -0.17 0.00 0.00 0.00 0.00 36.38 33.18 3jwu s VAL 646 CO 0.86 0.40 1.25 0.41 0.00 0.00 0.00 175.10 178.02 3jwu n THR 647 N 4.55 0.14 -3.60 3.92 -1.04 -0.34 -4.25 114.28 113.66 3jwu n THR 647 Ca -0.17 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.65 3jwu n THR 647 Cb 0.51 -0.64 -0.06 0.00 -1.82 0.00 0.00 70.33 68.32 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 0.28 0.03 -0.01 12.58 2.07 -1.26 -4.44 121.20 130.44 3jwu s ILE 648 Ca 0.84 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.93 3jwu s ILE 648 Cb -1.01 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 40.68 3jwu s ILE 648 CO 0.50 -0.12 -0.21 0.54 -1.91 0.00 0.00 174.94 173.74 3jwu s VAL 649 N -1.65 1.63 0.64 4.00 0.11 -0.20 -5.00 120.40 119.94 3jwu s VAL 649 Ca -0.10 -0.91 -0.10 0.00 -2.93 0.00 0.00 61.98 57.94 3jwu s VAL 649 Cb -0.02 -1.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 3jwu s VAL 649 CO 0.05 0.44 1.02 1.51 -3.33 0.00 0.00 175.10 174.78 3jwu s ASP 650 N -0.55 5.77 0.52 3.54 -4.77 -1.26 0.47 116.67 120.39 3jwu s ASP 650 Ca 0.08 1.13 0.31 0.00 -3.30 0.00 0.00 52.55 50.76 3jwu s ASP 650 Cb -0.08 -2.08 1.22 0.00 -1.09 0.00 0.00 42.92 40.90 3jwu s ASP 650 CO -0.01 -1.09 1.94 1.12 0.70 0.00 0.00 175.17 177.83 3jwu h HIS 651 N -0.40 0.00 0.04 2.11 2.07 -1.98 -1.42 115.15 115.58 3jwu h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3jwu h HIS 651 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3jwu h HIS 651 CO 0.55 0.06 -0.02 0.45 -3.07 0.00 0.00 177.93 175.90 3jwu h HIS 652 N 0.00 -0.06 -0.60 6.12 3.86 -1.97 -2.46 115.15 120.05 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 0.58 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 3jwu h HIS 652 CO 0.00 0.49 0.26 1.03 0.86 0.00 0.00 177.93 180.57 3jwu h SER 653 N -0.64 0.80 -0.44 2.45 0.87 -1.91 -1.02 113.55 113.67 3jwu h SER 653 Ca -0.01 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 3jwu h SER 653 Cb 0.57 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3jwu h SER 653 CO 0.01 0.73 0.03 0.00 -0.53 0.00 0.00 176.83 177.07 3jwu h ALA 654 N 1.10 0.59 -0.33 6.23 0.00 -1.34 -0.76 119.26 124.74 3jwu h ALA 654 Ca 0.20 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3jwu h ALA 654 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3jwu h ALA 654 CO -0.02 0.35 -0.40 1.79 0.00 0.00 0.00 179.25 180.97 3jwu h THR 655 N 0.60 1.28 -0.37 0.00 1.35 -1.40 -0.69 112.91 113.69 3jwu h THR 655 Ca 0.13 -1.58 0.07 0.00 -0.55 0.00 0.00 66.41 64.48 3jwu h THR 655 Cb 0.45 1.51 -0.06 0.00 -1.73 0.00 0.00 68.15 68.31 3jwu h THR 655 CO 0.02 0.52 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.71 3jwu h GLU 656 N 0.65 0.08 -0.90 4.72 4.81 -1.01 -1.75 114.58 121.18 3jwu h GLU 656 Ca 0.04 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3jwu h GLU 656 Cb 1.00 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3jwu h GLU 656 CO 0.10 0.05 0.58 0.77 -0.73 0.00 0.00 179.01 179.79 3jwu h SER 657 N 0.09 1.05 -0.67 1.04 0.02 -1.04 -2.40 113.55 111.64 3jwu h SER 657 Ca 0.18 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3jwu h SER 657 Cb 0.26 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3jwu h SER 657 CO -0.31 0.77 0.37 0.15 -1.14 0.00 0.00 176.83 176.67 3jwu h PHE 658 N 1.23 0.92 -0.51 3.45 3.57 -0.68 0.14 116.94 125.06 3jwu h PHE 658 Ca 0.33 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3jwu h PHE 658 Cb -0.12 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 3jwu h PHE 658 CO -0.01 0.64 0.24 0.82 -2.23 0.00 0.00 178.31 177.78 3jwu h ILE 659 N 0.95 1.19 -0.72 1.41 1.08 -0.95 0.97 117.51 121.45 3jwu h ILE 659 Ca 0.24 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3jwu h ILE 659 Cb 0.02 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 3jwu h ILE 659 CO -0.04 0.22 0.41 0.50 -0.69 0.00 0.00 178.15 178.55 3jwu h LYS 660 N 0.67 0.98 0.23 2.37 3.64 -0.94 -1.50 116.57 122.04 3jwu h LYS 660 Ca 0.17 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3jwu h LYS 660 Cb 0.12 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3jwu h LYS 660 CO -0.02 0.72 -0.11 1.25 -2.27 0.00 0.00 179.45 179.01 3jwu h HIS 661 N 0.98 -0.29 -0.59 1.91 2.76 -0.41 -0.62 115.15 118.88 3jwu h HIS 661 Ca 0.25 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.54 3jwu h HIS 661 Cb -0.00 0.10 -0.10 0.00 1.55 0.00 0.00 27.41 28.96 3jwu h HIS 661 CO -0.01 -0.17 0.00 0.52 -1.30 0.00 0.00 177.93 176.98 3jwu h MET 662 N -0.33 0.12 -0.23 5.26 2.86 -0.65 0.23 114.93 122.19 3jwu h MET 662 Ca -0.03 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3jwu h MET 662 Cb 0.25 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3jwu h MET 662 CO 0.05 0.08 0.04 0.93 1.06 0.00 0.00 176.91 179.07 3jwu h GLU 663 N 0.12 0.13 -0.23 1.72 5.08 -0.99 0.16 114.58 120.57 3jwu h GLU 663 Ca 0.31 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 3jwu h GLU 663 Cb 0.49 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3jwu h GLU 663 CO -0.50 0.08 -0.04 -0.91 -1.00 0.00 0.00 179.01 176.65 3jwu h ASN 664 N 0.13 -0.17 -0.87 1.42 2.35 -0.30 -2.38 115.58 115.76 3jwu h ASN 664 Ca 0.11 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3jwu h ASN 664 Cb 0.10 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3jwu h ASN 664 CO -0.14 -0.06 0.46 -0.33 -1.65 0.00 0.00 177.43 175.71 3jwu h GLU 665 N 0.03 1.22 -0.58 0.81 4.39 -0.23 0.04 114.58 120.26 3jwu h GLU 665 Ca 0.11 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 3jwu h GLU 665 Cb 0.16 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3jwu h GLU 665 CO -0.22 0.91 0.18 1.88 -1.16 0.00 0.00 179.01 180.60 3jwu h TYR 666 N 1.22 0.94 0.02 4.33 -1.99 -0.44 0.12 116.97 121.17 3jwu h TYR 666 Ca 0.30 -0.09 -0.21 0.00 2.00 0.00 0.00 58.73 60.73 3jwu h TYR 666 Cb 0.05 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.49 3jwu h TYR 666 CO 0.01 0.78 -0.98 0.07 -0.00 0.00 0.00 178.16 178.04 3jwu h ARG 667 N 0.82 0.07 0.02 4.88 0.11 -1.29 -2.52 114.38 116.47 3jwu h ARG 667 Ca 0.19 -0.11 -0.30 0.00 0.10 0.00 0.00 59.98 59.86 3jwu h ARG 667 Cb 0.28 0.04 -0.05 0.00 1.11 0.00 0.00 29.97 31.35 3jwu h ARG 667 CO -0.01 0.99 -1.76 0.00 0.10 0.00 0.00 179.97 179.30 3jwu n ARG 669 N -3.10 4.80 -0.74 0.00 0.63 0.35 -5.03 116.66 113.57 3jwu n ARG 669 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 3jwu n ARG 669 Cb 1.05 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 33.47 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 1.02 0.62 0.00 5.14 0.00 -0.81 -4.63 105.19 106.53 3jwu n GLY 670 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.74 -0.61 3.11 -0.02 0.00 -1.12 -0.39 105.19 103.42 3jwu n GLY 671 Ca 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 2.76 4.27 -0.11 0.00 0.04 -1.26 -4.60 135.00 136.09 3jwu s PRO 673 Ca 0.17 2.22 -0.08 0.00 0.04 0.00 0.00 61.00 63.35 3jwu s PRO 673 Cb -0.15 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.23 3jwu s PRO 673 CO -0.19 -0.52 0.28 0.00 0.04 0.00 0.00 177.00 176.60 3jwu s ALA 674 N 1.13 -0.68 -0.55 8.56 0.00 -0.43 -4.21 121.76 125.58 3jwu s ALA 674 Ca 0.67 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 53.50 3jwu s ALA 674 Cb -0.40 -0.59 0.14 0.00 0.00 0.00 0.00 23.12 22.26 3jwu s ALA 674 CO 0.31 -0.18 0.44 0.34 0.00 0.00 0.00 175.76 176.67 3jwu s ASP 675 N 0.79 5.89 0.26 0.00 3.68 0.68 -3.36 116.67 124.61 3jwu s ASP 675 Ca -0.05 -2.09 -0.01 0.00 2.13 0.00 0.00 52.55 52.53 3jwu s ASP 675 Cb -0.06 -2.06 0.53 0.00 -1.45 0.00 0.00 42.92 39.87 3jwu s ASP 675 CO -0.05 -0.68 1.76 -0.25 0.13 0.00 0.00 175.17 176.08 3jwu h TRP 676 N 8.31 0.74 -0.87 -5.34 7.01 -1.90 -0.02 115.95 123.87 3jwu h TRP 676 Ca -0.17 0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.06 3jwu h TRP 676 Cb 1.06 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 27.86 3jwu h TRP 676 CO 0.71 0.16 0.58 0.28 -2.79 0.00 0.00 178.44 177.39 3jwu h VAL 677 N 0.60 0.69 0.04 2.65 2.07 -1.93 -2.24 116.25 118.13 3jwu h VAL 677 Ca 0.46 -0.13 -0.36 0.00 0.82 0.00 0.00 66.70 67.49 3jwu h VAL 677 Cb 0.66 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3jwu h VAL 677 CO -0.37 0.07 -2.14 0.79 0.02 0.00 0.00 177.57 175.94 3jwu n TRP 678 N -4.49 0.60 -0.09 1.57 7.02 -0.30 -4.50 117.44 117.25 3jwu n TRP 678 Ca 0.18 0.16 -0.11 0.00 -1.02 0.00 0.00 57.50 56.72 3jwu n TRP 678 Cb 0.68 -1.09 0.03 0.00 -2.42 0.00 0.00 31.31 28.51 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 0.02 1.28 -2.89 -0.99 1.08 -0.84 -3.43 117.51 111.74 3jwu h ILE 679 Ca -0.46 -1.51 -0.55 0.00 -0.39 0.00 0.00 64.86 61.95 3jwu h ILE 679 Cb 2.04 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 37.15 3jwu h ILE 679 CO 0.03 0.50 0.87 -0.69 -0.69 0.00 0.00 178.15 178.17 3jwu s VAL 680 N -4.42 3.85 0.74 1.67 1.01 -0.86 -4.92 120.40 117.47 3jwu s VAL 680 Ca -0.10 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.89 3jwu s VAL 680 Cb 0.12 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3jwu s VAL 680 CO 0.86 -0.03 0.98 -2.65 0.00 0.00 0.00 175.10 174.25 3jwu n PRO 681 N 5.81 0.44 0.00 2.72 -0.02 -1.26 -4.90 135.00 137.79 3jwu n PRO 681 Ca 0.14 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 3jwu n PRO 681 Cb 0.44 -2.24 0.65 0.00 -0.02 0.00 0.00 33.50 32.34 3jwu n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jwu n PRO 682 N -2.02 0.97 -4.13 0.52 -0.04 -1.26 -4.29 135.00 124.76 3jwu n PRO 682 Ca 0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 3jwu n PRO 682 Cb 0.50 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.71 -1.42 0.54 0.23 -1.26 -4.91 119.30 111.19 3jwu s MET 683 Ca 0.33 -1.03 -0.05 0.00 -1.03 0.00 0.00 55.69 53.90 3jwu s MET 683 Cb 0.15 -0.35 0.03 0.00 -1.53 0.00 0.00 34.83 33.12 3jwu s MET 683 CO 0.25 0.05 0.45 0.43 -2.03 0.00 0.00 175.02 174.17 3jwu n SER 684 N 0.80 -5.03 -0.32 -1.18 7.64 -1.26 -4.86 113.62 109.41 3jwu n SER 684 Ca -0.18 -0.24 -0.10 0.00 1.01 0.00 0.00 58.87 59.35 3jwu n SER 684 Cb 0.57 -4.12 -0.08 0.00 -1.01 0.00 0.00 64.21 59.58 3jwu n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jwu h GLY 685 N -0.98 -0.75 1.89 0.23 0.00 -1.91 -2.04 103.07 99.52 3jwu h GLY 685 Ca -0.47 0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3jwu h GLY 685 CO 0.53 -0.04 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 3jwu n SER 686 N -5.32 0.00 -0.37 0.19 3.41 -1.26 -1.65 113.62 108.62 3jwu n SER 686 Ca 0.01 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3jwu n SER 686 Cb 0.31 -0.45 0.53 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.45 0.08 -4.03 -1.33 -5.35 -0.77 -4.83 119.36 101.68 3jwu n ILE 687 Ca 0.08 -0.22 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 3jwu n ILE 687 Cb 0.29 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.33 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 -1.92 4.79 0.36 7.28 -4.23 -0.66 -5.02 115.64 116.25 3jwu s THR 688 Ca 0.36 -0.56 0.20 0.00 -1.18 0.00 0.00 61.69 60.50 3jwu s THR 688 Cb 0.18 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.94 3jwu s THR 688 CO 0.29 0.20 1.93 1.55 -0.54 0.00 0.00 174.62 178.06 3jwu h PRO 689 N 3.51 0.00 0.00 3.99 0.13 -1.88 -2.92 132.00 134.83 3jwu h PRO 689 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3jwu h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3jwu h PRO 689 CO 0.67 0.24 -0.14 -0.39 -0.23 0.00 0.00 178.00 178.15 3jwu h VAL 690 N 0.00 0.75 -0.94 1.56 -1.51 -1.88 -2.36 116.25 111.87 3jwu h VAL 690 Ca -0.00 -0.55 0.07 0.00 -1.23 0.00 0.00 66.70 64.98 3jwu h VAL 690 Cb 0.52 1.33 -0.06 0.00 -2.13 0.00 0.00 31.29 30.95 3jwu h VAL 690 CO 0.03 0.14 0.61 0.15 -1.23 0.00 0.00 177.57 177.27 3jwu h PHE 691 N 0.00 1.09 -0.19 5.19 3.57 -1.70 -1.96 116.94 122.95 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 0.32 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3jwu h PHE 691 CO 0.00 0.56 0.00 0.72 -2.23 0.00 0.00 178.31 177.36 3jwu n HIS 692 N -4.50 0.24 -3.43 0.41 8.25 -0.89 -4.84 115.22 110.45 3jwu n HIS 692 Ca 0.15 -0.12 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 3jwu n HIS 692 Cb 0.21 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.76 3.79 0.34 -0.41 2.00 -0.74 -1.32 119.66 121.56 3jwu s GLN 693 Ca 0.34 -0.24 -0.28 0.00 -2.00 0.00 0.00 55.36 53.17 3jwu s GLN 693 Cb 0.19 -3.73 -0.10 0.00 0.80 0.00 0.00 33.01 30.17 3jwu s GLN 693 CO 0.28 -0.38 1.30 -1.21 -0.50 0.00 0.00 175.29 174.78 3jwu s GLU 694 N 1.99 4.31 0.02 1.67 2.02 -0.49 -5.00 118.70 123.22 3jwu s GLU 694 Ca 0.12 2.20 0.03 0.00 0.02 0.00 0.00 54.97 57.34 3jwu s GLU 694 Cb -0.16 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3jwu s GLU 694 CO 0.11 -0.22 -0.10 -1.64 0.02 0.00 0.00 175.26 173.42 3jwu s MET 695 N -1.85 0.73 -0.19 1.61 -1.94 -1.26 -4.61 119.30 111.79 3jwu s MET 695 Ca 0.50 -0.59 -0.06 0.00 -1.71 0.00 0.00 55.69 53.83 3jwu s MET 695 Cb -0.39 -0.68 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 3jwu s MET 695 CO 0.52 0.17 0.03 -0.51 -0.01 0.00 0.00 175.02 175.22 3jwu s LEU 696 N -0.90 3.53 -0.20 -0.03 1.43 -1.26 -4.90 118.68 116.36 3jwu s LEU 696 Ca -0.01 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 3jwu s LEU 696 Cb -0.07 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3jwu s LEU 696 CO 0.01 0.13 0.07 0.21 0.23 0.00 0.00 176.35 177.00 3jwu s ASN 697 N 0.64 5.63 0.18 2.29 3.04 -1.21 -1.31 114.94 124.19 3jwu s ASN 697 Ca 0.01 0.05 -0.19 0.00 0.04 0.00 0.00 52.86 52.78 3jwu s ASN 697 Cb -0.14 -1.98 0.04 0.00 -1.54 0.00 0.00 41.25 37.64 3jwu s ASN 697 CO 0.02 0.14 0.54 -0.72 -3.04 0.00 0.00 177.10 174.04 3jwu s TYR 698 N 0.57 -0.25 -0.33 0.43 -0.85 -1.26 -4.95 117.35 110.70 3jwu s TYR 698 Ca 0.04 -0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.45 3jwu s TYR 698 Cb -0.13 0.44 0.02 0.00 0.38 0.00 0.00 41.96 42.67 3jwu s TYR 698 CO 0.01 -0.88 0.13 1.03 -1.52 0.00 0.00 175.55 174.31 3jwu s ARG 699 N -3.83 2.92 0.15 -3.49 0.52 -1.26 -4.80 118.95 109.16 3jwu s ARG 699 Ca 0.06 -0.99 0.05 0.00 -0.52 0.00 0.00 55.73 54.33 3jwu s ARG 699 Cb -0.01 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 3jwu s ARG 699 CO -0.06 -0.57 0.09 -0.51 0.02 0.00 0.00 175.30 174.27 3jwu s LEU 700 N 1.50 3.68 0.12 2.53 1.43 -1.26 -3.44 118.68 123.23 3jwu s LEU 700 Ca 0.01 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.04 3jwu s LEU 700 Cb -0.18 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3jwu s LEU 700 CO 0.04 0.09 -0.22 0.28 0.23 0.00 0.00 176.35 176.78 3jwu s THR 701 N -1.67 2.59 0.73 5.49 -1.32 -1.26 -4.23 115.64 115.97 3jwu s THR 701 Ca 0.30 -1.60 -0.16 0.00 -1.21 0.00 0.00 61.69 59.02 3jwu s THR 701 Cb -0.10 -2.17 0.03 0.00 -1.51 0.00 0.00 72.50 68.75 3jwu s THR 701 CO 0.22 0.11 1.21 -2.65 -2.21 0.00 0.00 174.62 171.29 3jwu n PRO 702 N 0.88 0.62 -3.92 7.08 -0.02 -1.26 -5.01 135.00 133.36 3jwu n PRO 702 Ca -0.17 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 3jwu n PRO 702 Cb 0.53 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.74 0.05 -0.16 2.55 1.04 -0.85 -3.74 113.70 110.85 3jwu s SER 703 Ca 0.77 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 56.32 3jwu s SER 703 Cb -0.34 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3jwu s SER 703 CO 0.46 -0.86 0.12 -0.36 0.98 0.00 0.00 173.24 173.58 3jwu s PHE 704 N -3.94 3.45 0.17 5.02 0.40 -1.26 -1.11 117.98 120.71 3jwu s PHE 704 Ca 0.14 0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.91 3jwu s PHE 704 Cb 0.04 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 3jwu s PHE 704 CO -0.03 0.45 -0.16 -1.21 0.70 0.00 0.00 175.22 174.98 3jwu s GLU 705 N -0.23 1.23 0.74 0.44 0.41 0.37 -4.94 118.70 116.73 3jwu s GLU 705 Ca 0.10 -1.44 -0.11 0.00 -0.41 0.00 0.00 54.97 53.11 3jwu s GLU 705 Cb -0.12 -1.13 0.04 0.00 -1.78 0.00 0.00 34.13 31.14 3jwu s GLU 705 CO 0.01 0.21 1.07 0.71 -0.49 0.00 0.00 175.26 176.77 3jwu s TYR 706 N -2.48 2.93 0.09 1.61 1.51 -1.26 -0.72 117.35 119.03 3jwu s TYR 706 Ca 0.17 1.37 -0.09 0.00 -1.01 0.00 0.00 57.07 57.51 3jwu s TYR 706 Cb -0.03 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.84 3jwu s TYR 706 CO 0.06 -1.50 0.20 1.14 -1.11 0.00 0.00 175.55 174.34 3jwu s GLN 707 N -5.04 0.85 0.44 -0.62 -2.07 -1.26 -4.74 119.66 107.22 3jwu s GLN 707 Ca 0.59 -0.92 -0.25 0.00 -1.82 0.00 0.00 55.36 52.96 3jwu s GLN 707 Cb -0.15 0.35 -0.08 0.00 -1.09 0.00 0.00 33.01 32.04 3jwu s GLN 707 CO 0.55 -0.27 1.38 -2.14 -1.32 0.00 0.00 175.29 173.49 3jwu s PRO 708 N -3.79 3.73 -0.01 9.60 0.02 -1.26 -4.92 135.00 138.37 3jwu s PRO 708 Ca 0.04 2.32 -0.37 0.00 0.02 0.00 0.00 61.00 63.02 3jwu s PRO 708 Cb 0.04 -2.65 -0.15 0.00 0.02 0.00 0.00 34.50 31.76 3jwu s PRO 708 CO -0.11 -0.75 1.56 -0.25 -0.33 0.00 0.00 177.00 177.13 3jwu n ASP 709 N -0.17 2.37 0.08 2.53 8.00 -1.26 -4.85 116.55 123.25 3jwu n ASP 709 Ca 0.05 1.08 0.17 0.00 0.71 0.00 0.00 54.79 56.80 3jwu n ASP 709 Cb 0.43 -1.25 0.69 0.00 -0.02 0.00 0.00 41.12 40.96 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 6.14 0.00 0.00 -0.24 0.13 -1.92 -1.76 132.00 134.34 3jwu h PRO 710 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3jwu h PRO 710 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3jwu h PRO 710 CO 0.87 0.00 -0.04 0.11 -0.23 0.00 0.00 178.00 178.71 3jwu h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.93 0.86 115.95 116.53 3jwu h TRP 711 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.16 3jwu h TRP 711 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.99 3jwu h TRP 711 CO 0.00 0.04 -0.20 0.09 0.09 0.00 0.00 178.44 178.46 3jwu n ASN 712 N -3.18 0.80 -0.09 0.11 3.02 -0.66 -4.41 115.26 110.85 3jwu n ASN 712 Ca -0.00 0.43 -0.20 0.00 -0.03 0.00 0.00 54.58 54.79 3jwu n ASN 712 Cb 0.29 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3jwu n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3jwu n THR 713 N -2.24 1.09 -1.61 3.41 -1.04 -0.46 -5.04 114.28 108.39 3jwu n THR 713 Ca 0.05 -0.23 -0.47 0.00 -2.04 0.00 0.00 64.05 61.36 3jwu n THR 713 Cb 0.44 -1.79 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 3jwu n THR 713 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3jwu n HIS 714 N -3.89 1.58 -3.62 -1.42 -0.00 0.29 -4.97 115.22 103.18 3jwu n HIS 714 Ca -0.36 0.61 -0.40 0.00 -0.00 0.00 0.00 57.72 57.57 3jwu n HIS 714 Cb 0.74 -2.33 -0.11 0.00 -0.00 0.00 0.00 29.99 28.28 3jwu n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3jwu s VAL 715 N -0.33 4.59 -2.00 3.57 -7.23 -1.26 -4.96 120.40 112.78 3jwu s VAL 715 Ca 0.69 -0.65 0.12 0.00 -1.81 0.00 0.00 61.98 60.32 3jwu s VAL 715 Cb -0.76 -3.46 0.34 0.00 0.56 0.00 0.00 36.38 33.07 3jwu s VAL 715 CO 0.53 -0.10 1.15 0.79 -0.31 0.00 0.00 175.10 177.17