#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgw h LEU 306 N 0.00 0.00 -1.19 -3.43 8.10 -2.04 0.36 115.31 117.11 2qgw h LEU 306 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.91 2qgw h LEU 306 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2qgw h LEU 306 CO 0.00 0.00 -0.40 0.00 -4.11 0.00 0.00 178.44 173.93 2qgw h ALA 307 N 1.14 1.32 0.00 0.17 0.00 -1.99 -2.64 119.26 117.26 2qgw h ALA 307 Ca 0.33 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qgw h ALA 307 Cb 1.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2qgw h ALA 307 CO -0.00 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2qgw n LEU 308 N -4.04 0.27 -1.02 0.00 4.77 0.12 -2.86 117.00 114.24 2qgw n LEU 308 Ca -0.02 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 2qgw n LEU 308 Cb 0.43 -0.49 0.23 0.00 -2.33 0.00 0.00 43.42 41.26 2qgw n LEU 308 CO 0.39 -0.25 0.69 -1.20 -1.33 0.00 0.00 177.39 175.69 2qgw n SER 309 N -1.78 3.39 -4.76 -1.43 7.64 -1.00 -4.98 113.62 110.70 2qgw n SER 309 Ca 0.04 -1.96 -0.39 0.00 1.01 0.00 0.00 58.87 57.57 2qgw n SER 309 Cb 0.26 -0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 2qgw n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qgw s LEU 310 N -1.09 4.47 0.97 -3.43 1.43 -1.13 -5.06 118.68 114.84 2qgw s LEU 310 Ca 0.36 2.11 -0.14 0.00 -1.03 0.00 0.00 54.13 55.43 2qgw s LEU 310 Cb 0.19 -3.77 0.17 0.00 0.03 0.00 0.00 46.19 42.82 2qgw s LEU 310 CO 0.26 -0.13 1.15 0.42 0.23 0.00 0.00 176.35 178.27 2qgw s THR 311 N -1.31 1.94 0.11 5.49 -4.23 -1.26 -4.86 115.64 111.52 2qgw s THR 311 Ca 0.47 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.77 2qgw s THR 311 Cb -0.27 -2.71 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 2qgw s THR 311 CO 0.35 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 176.18 2qgw h ALA 312 N -1.72 0.14 -0.84 3.99 0.00 -1.93 -1.52 119.26 117.38 2qgw h ALA 312 Ca -0.49 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qgw h ALA 312 Cb 1.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2qgw h ALA 312 CO 0.55 -0.38 0.55 -0.44 0.00 0.00 0.00 179.25 179.53 2qgw h ASP 313 N 0.14 0.96 0.18 0.00 3.32 -1.95 -0.64 116.42 118.44 2qgw h ASP 313 Ca 0.04 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2qgw h ASP 313 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2qgw h ASP 313 CO -0.02 0.70 -0.39 1.56 -1.72 0.00 0.00 179.24 179.37 2qgw h GLN 314 N 1.14 0.28 0.04 3.56 4.20 -1.91 -1.91 115.11 120.51 2qgw h GLN 314 Ca 0.31 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2qgw h GLN 314 Cb -0.13 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2qgw h GLN 314 CO -0.07 0.63 -0.02 1.98 -0.67 0.00 0.00 178.83 180.69 2qgw h MET 315 N 0.24 -0.06 0.32 1.46 4.05 -0.31 -1.75 114.93 118.88 2qgw h MET 315 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2qgw h MET 315 Cb 0.80 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 2qgw h MET 315 CO 0.06 0.21 -0.41 0.28 0.23 0.00 0.00 176.91 177.28 2qgw h VAL 316 N -0.32 0.18 -0.77 -5.77 2.07 -1.12 -1.16 116.25 109.36 2qgw h VAL 316 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2qgw h VAL 316 Cb 0.29 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 2qgw h VAL 316 CO 0.01 0.00 0.39 -1.28 0.02 0.00 0.00 177.57 176.71 2qgw h SER 317 N -0.77 0.49 -0.28 0.57 0.87 -1.40 0.93 113.55 113.96 2qgw h SER 317 Ca -0.02 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2qgw h SER 317 Cb 0.72 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2qgw h SER 317 CO -0.12 0.25 0.06 0.00 -0.53 0.00 0.00 176.83 176.49 2qgw h ALA 318 N 1.48 0.37 -0.60 6.23 0.00 -1.03 -1.63 119.26 124.07 2qgw h ALA 318 Ca 0.39 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2qgw h ALA 318 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2qgw h ALA 318 CO -0.30 0.04 0.39 -0.07 0.00 0.00 0.00 179.25 179.31 2qgw h LEU 319 N 0.28 0.69 -0.83 0.00 3.38 -0.47 -1.63 115.31 116.73 2qgw h LEU 319 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2qgw h LEU 319 Cb 0.31 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2qgw h LEU 319 CO 0.00 0.50 0.40 -0.07 0.09 0.00 0.00 178.44 179.37 2qgw h LEU 320 N 0.81 1.08 -1.36 1.67 3.38 -0.75 -2.62 115.31 117.52 2qgw h LEU 320 Ca 0.22 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2qgw h LEU 320 Cb -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2qgw h LEU 320 CO -0.05 0.91 -0.30 0.44 0.09 0.00 0.00 178.44 179.53 2qgw h ASP 321 N 1.17 0.00 1.35 -0.43 5.19 -1.10 -3.02 116.42 119.59 2qgw h ASP 321 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2qgw h ASP 321 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2qgw h ASP 321 CO -0.04 0.30 0.00 0.00 -3.12 0.00 0.00 179.24 176.38 2qgw h ALA 322 N 1.70 1.00 -1.57 3.45 0.00 -0.92 -3.47 119.26 119.45 2qgw h ALA 322 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 2qgw h ALA 322 Cb 0.62 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.46 2qgw h ALA 322 CO 0.04 0.00 0.43 0.39 0.00 0.00 0.00 179.25 180.11 2qgw n GLU 323 N -2.49 0.98 -1.32 0.00 -0.58 -1.13 -4.64 120.64 111.46 2qgw n GLU 323 Ca 0.04 0.35 -0.31 0.00 -0.42 0.00 0.00 57.16 56.82 2qgw n GLU 323 Cb 0.39 -1.98 0.09 0.00 -0.57 0.00 0.00 31.44 29.37 2qgw n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qgw s PRO 324 N 0.67 2.32 0.79 3.49 0.04 -1.26 -5.03 135.00 136.02 2qgw s PRO 324 Ca 0.87 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2qgw s PRO 324 Cb -1.01 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 31.69 2qgw s PRO 324 CO 0.50 -1.58 1.09 -1.25 0.04 0.00 0.00 177.00 175.80 2qgw s PRO 325 N -4.94 2.10 -0.37 0.56 0.04 -1.26 -5.00 135.00 126.13 2qgw s PRO 325 Ca 0.61 0.94 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 2qgw s PRO 325 Cb -0.17 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2qgw s PRO 325 CO 0.56 -1.69 0.84 0.42 0.04 0.00 0.00 177.00 177.17 2qgw s ILE 326 N -2.98 4.67 0.32 0.56 1.01 -1.26 -5.05 121.20 118.46 2qgw s ILE 326 Ca 0.61 1.00 -0.13 0.00 0.00 0.00 0.00 60.65 62.13 2qgw s ILE 326 Cb -0.16 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 2qgw s ILE 326 CO 0.56 -0.48 0.70 -0.76 0.00 0.00 0.00 174.94 174.95 2qgw s LEU 327 N 3.26 4.04 0.17 2.97 1.43 -1.26 -4.99 118.68 124.31 2qgw s LEU 327 Ca 0.34 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 54.43 2qgw s LEU 327 Cb -0.13 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.05 2qgw s LEU 327 CO 0.18 -0.21 0.62 -0.31 0.23 0.00 0.00 176.35 176.85 2qgw s TYR 328 N -2.02 3.62 0.75 0.29 1.51 -1.26 -4.38 117.35 115.87 2qgw s TYR 328 Ca 0.52 1.19 -0.12 0.00 -1.01 0.00 0.00 57.07 57.65 2qgw s TYR 328 Cb -0.10 -2.46 0.04 0.00 -0.11 0.00 0.00 41.96 39.32 2qgw s TYR 328 CO 0.21 0.39 1.11 -1.54 -1.11 0.00 0.00 175.55 174.62 2qgw s SER 329 N -1.69 4.98 -0.37 2.29 1.04 -1.26 -4.94 113.70 113.76 2qgw s SER 329 Ca 0.40 1.11 -0.00 0.00 0.48 0.00 0.00 55.95 57.93 2qgw s SER 329 Cb -0.16 -1.83 0.30 0.00 0.10 0.00 0.00 66.02 64.43 2qgw s SER 329 CO 0.20 -1.64 1.91 -1.84 0.98 0.00 0.00 173.24 172.85 2qgw n GLU 330 N -3.19 1.94 -2.14 4.02 0.28 -1.26 -4.97 120.64 115.32 2qgw n GLU 330 Ca 0.07 -1.92 -0.43 0.00 -0.16 0.00 0.00 57.16 54.73 2qgw n GLU 330 Cb 0.58 -1.75 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 2qgw n GLU 330 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2qgw s TYR 331 N -2.20 2.22 -0.41 -1.84 6.14 -1.26 -4.98 117.35 115.01 2qgw s TYR 331 Ca 0.38 0.50 -0.20 0.00 0.64 0.00 0.00 57.07 58.39 2qgw s TYR 331 Cb 0.30 -3.85 0.02 0.00 0.42 0.00 0.00 41.96 38.85 2qgw s TYR 331 CO 0.01 -3.04 0.60 0.34 0.64 0.00 0.00 175.55 174.10 2qgw s ASP 332 N 3.36 6.32 0.00 4.32 3.68 -1.26 -4.93 116.67 128.15 2qgw s ASP 332 Ca 0.68 -0.26 0.22 0.00 2.13 0.00 0.00 52.55 55.32 2qgw s ASP 332 Cb -0.28 -2.30 1.13 0.00 -1.45 0.00 0.00 42.92 40.02 2qgw s ASP 332 CO 0.26 -0.68 1.70 -0.81 0.13 0.00 0.00 175.17 175.77 2qgw n PRO 333 N 6.07 0.36 -1.22 4.34 -0.04 -1.26 -2.58 135.00 140.68 2qgw n PRO 333 Ca -0.03 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 2qgw n PRO 333 Cb 0.48 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 2qgw n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qgw n THR 334 N -1.25 2.70 -4.17 0.52 -2.24 -1.26 -4.94 114.28 103.63 2qgw n THR 334 Ca 0.11 -3.21 -0.17 0.00 -2.27 0.00 0.00 64.05 58.52 2qgw n THR 334 Cb 0.16 -0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 67.61 2qgw n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qgw s ARG 335 N -3.43 0.70 0.34 -0.78 0.52 -1.06 -5.14 118.95 110.09 2qgw s ARG 335 Ca 0.49 -0.77 -0.27 0.00 -0.52 0.00 0.00 55.73 54.66 2qgw s ARG 335 Cb 0.42 -0.62 -0.09 0.00 0.52 0.00 0.00 34.95 35.18 2qgw s ARG 335 CO 0.00 0.14 1.12 -1.25 0.02 0.00 0.00 175.30 175.33 2qgw s PRO 336 N -1.39 4.36 0.43 3.54 0.04 -1.26 -4.97 135.00 135.74 2qgw s PRO 336 Ca -0.04 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2qgw s PRO 336 Cb -0.09 -2.89 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 2qgw s PRO 336 CO 0.01 -0.03 1.26 -0.06 0.04 0.00 0.00 177.00 178.21 2qgw s PHE 337 N -1.35 2.81 0.44 0.56 2.99 -1.26 -5.01 117.98 117.16 2qgw s PHE 337 Ca 0.51 1.46 0.03 0.00 0.00 0.00 0.00 56.93 58.93 2qgw s PHE 337 Cb -0.30 -3.57 -0.03 0.00 0.00 0.00 0.00 43.02 39.12 2qgw s PHE 337 CO 0.38 -1.92 0.07 -1.54 -0.00 0.00 0.00 175.22 172.21 2qgw s SER 338 N -0.96 3.28 0.19 1.36 1.04 -1.26 -5.00 113.70 112.34 2qgw s SER 338 Ca 0.60 -1.62 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 2qgw s SER 338 Cb -0.35 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.29 2qgw s SER 338 CO 0.44 -0.85 1.80 -0.08 0.98 0.00 0.00 173.24 175.53 2qgw h GLU 339 N 1.67 0.92 -0.23 4.02 4.81 -1.98 -1.98 114.58 121.81 2qgw h GLU 339 Ca -0.39 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2qgw h GLU 339 Cb 1.28 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2qgw h GLU 339 CO 0.65 0.69 -0.05 0.00 -0.73 0.00 0.00 179.01 179.58 2qgw h ALA 340 N 1.17 0.31 -0.32 2.92 0.00 -1.90 -2.52 119.26 118.93 2qgw h ALA 340 Ca 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2qgw h ALA 340 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qgw h ALA 340 CO -0.04 0.10 -0.18 0.66 0.00 0.00 0.00 179.25 179.79 2qgw h SER 341 N 0.18 0.58 -0.14 0.00 4.64 -1.88 -0.21 113.55 116.72 2qgw h SER 341 Ca 0.06 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 2qgw h SER 341 Cb 0.50 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2qgw h SER 341 CO 0.02 0.77 -0.30 -0.03 -0.87 0.00 0.00 176.83 176.42 2qgw h MET 342 N 0.53 0.45 -0.74 4.77 -1.53 -1.39 -0.96 114.93 116.05 2qgw h MET 342 Ca 0.09 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 56.05 2qgw h MET 342 Cb 0.61 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.66 2qgw h MET 342 CO 0.04 0.91 0.47 0.52 0.14 0.00 0.00 176.91 178.99 2qgw h MET 343 N 0.06 0.99 -0.13 0.39 2.07 -1.43 -2.08 114.93 114.80 2qgw h MET 343 Ca 0.00 -0.07 0.01 0.00 -2.07 0.00 0.00 59.70 57.57 2qgw h MET 343 Cb 0.90 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 30.40 2qgw h MET 343 CO 0.07 0.68 0.03 0.78 1.07 0.00 0.00 176.91 179.54 2qgw h GLY 344 N 1.03 0.15 0.55 8.32 0.00 -0.81 -0.98 103.07 111.34 2qgw h GLY 344 Ca 0.27 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.63 2qgw h GLY 344 CO -0.05 0.01 0.04 1.41 0.00 0.00 0.00 176.54 177.95 2qgw h LEU 345 N 0.09 -0.04 -0.88 3.11 3.38 -0.97 -0.26 115.31 119.74 2qgw h LEU 345 Ca 0.06 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2qgw h LEU 345 Cb 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2qgw h LEU 345 CO -0.07 0.01 -0.02 -0.07 0.09 0.00 0.00 178.44 178.39 2qgw h LEU 346 N 0.15 0.78 0.16 1.67 3.38 -1.17 -1.38 115.31 118.89 2qgw h LEU 346 Ca 0.16 -0.20 -0.31 0.00 0.09 0.00 0.00 57.88 57.62 2qgw h LEU 346 Cb 0.19 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2qgw h LEU 346 CO -0.23 0.86 -1.47 0.71 0.09 0.00 0.00 178.44 178.40 2qgw h THR 347 N 0.75 1.25 -0.55 0.22 1.35 -1.06 -1.38 112.91 113.48 2qgw h THR 347 Ca 0.14 -2.82 0.07 0.00 -0.55 0.00 0.00 66.41 63.26 2qgw h THR 347 Cb 0.48 2.88 -0.06 0.00 -1.73 0.00 0.00 68.15 69.72 2qgw h THR 347 CO 0.02 0.84 0.23 -1.13 -0.25 0.00 0.00 175.52 175.23 2qgw h ASN 348 N 0.09 0.26 0.06 5.36 -1.24 -1.03 -0.19 115.58 118.89 2qgw h ASN 348 Ca -0.23 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 2qgw h ASN 348 Cb 2.05 0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.12 2qgw h ASN 348 CO 0.20 0.17 -0.03 0.25 -1.29 0.00 0.00 177.43 176.74 2qgw h LEU 349 N 0.43 -0.06 -0.97 0.34 5.85 -1.27 -2.75 115.31 116.87 2qgw h LEU 349 Ca 0.27 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.97 2qgw h LEU 349 Cb 0.27 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 2qgw h LEU 349 CO -0.25 0.12 0.59 0.00 -0.34 0.00 0.00 178.44 178.57 2qgw h ALA 350 N 0.68 1.51 -0.51 1.25 0.00 -1.09 -0.22 119.26 120.88 2qgw h ALA 350 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2qgw h ALA 350 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qgw h ALA 350 CO 0.01 0.10 -0.11 0.22 0.00 0.00 0.00 179.25 179.47 2qgw h ASP 351 N 0.87 0.96 0.30 0.00 3.58 -0.87 -1.40 116.42 119.85 2qgw h ASP 351 Ca 0.51 -0.31 -0.24 0.00 0.42 0.00 0.00 57.03 57.41 2qgw h ASP 351 Cb 0.62 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.41 2qgw h ASP 351 CO -0.31 1.08 -1.00 0.03 -2.88 0.00 0.00 179.24 176.16 2qgw h ARG 352 N 0.86 0.46 -0.05 0.28 3.08 -1.14 -3.18 114.38 114.69 2qgw h ARG 352 Ca 0.13 -0.52 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 2qgw h ARG 352 Cb 0.66 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2qgw h ARG 352 CO 0.05 1.17 -0.17 0.93 -1.07 0.00 0.00 179.97 180.87 2qgw h GLU 353 N 0.25 0.07 -0.60 0.04 5.08 -0.91 -3.03 114.58 115.48 2qgw h GLU 353 Ca -0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qgw h GLU 353 Cb 1.65 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 2qgw h GLU 353 CO 0.18 0.25 0.36 -0.07 -1.00 0.00 0.00 179.01 178.72 2qgw h LEU 354 N 0.07 0.72 -0.64 1.33 3.38 -1.23 -0.57 115.31 118.37 2qgw h LEU 354 Ca 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2qgw h LEU 354 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2qgw h LEU 354 CO 0.02 0.58 0.38 0.58 0.09 0.00 0.00 178.44 180.09 2qgw h VAL 355 N 0.81 1.19 0.00 1.22 2.07 -1.58 -0.44 116.25 119.52 2qgw h VAL 355 Ca 0.21 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2qgw h VAL 355 Cb -0.01 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2qgw h VAL 355 CO -0.04 0.20 -0.09 0.45 0.02 0.00 0.00 177.57 178.11 2qgw h HIS 356 N 0.86 0.00 0.12 1.57 3.86 -1.50 -3.07 115.15 116.99 2qgw h HIS 356 Ca 0.23 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.16 2qgw h HIS 356 Cb -0.01 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.47 2qgw h HIS 356 CO -0.02 0.09 -1.22 1.98 0.86 0.00 0.00 177.93 179.62 2qgw h MET 357 N 0.00 0.42 -0.52 2.45 -1.53 -0.05 -1.75 114.93 113.95 2qgw h MET 357 Ca -0.00 -0.62 0.02 0.00 -3.44 0.00 0.00 59.70 55.66 2qgw h MET 357 Cb 0.54 0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.77 2qgw h MET 357 CO 0.01 1.27 0.33 0.82 0.14 0.00 0.00 176.91 179.48 2qgw h ILE 358 N 0.16 1.09 -0.02 1.77 1.08 -1.06 0.11 117.51 120.64 2qgw h ILE 358 Ca -0.16 -0.23 -0.17 0.00 -0.39 0.00 0.00 64.86 63.92 2qgw h ILE 358 Cb 1.91 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 2qgw h ILE 358 CO 0.22 0.12 -0.74 0.78 -0.69 0.00 0.00 178.15 177.84 2qgw h ASN 359 N 0.66 0.20 -0.42 1.72 2.35 -1.59 -2.66 115.58 115.85 2qgw h ASN 359 Ca 0.20 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2qgw h ASN 359 Cb -0.02 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2qgw h ASN 359 CO -0.07 0.87 0.28 -0.25 -1.65 0.00 0.00 177.43 176.61 2qgw h TRP 360 N 0.11 0.53 -0.57 1.19 7.01 -1.07 -3.13 115.95 120.03 2qgw h TRP 360 Ca -0.02 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2qgw h TRP 360 Cb 1.30 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 28.16 2qgw h TRP 360 CO 0.02 0.33 0.26 0.00 -2.79 0.00 0.00 178.44 176.27 2qgw h ALA 361 N 1.16 0.73 -0.93 2.65 0.00 -0.70 0.71 119.26 122.88 2qgw h ALA 361 Ca 0.16 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.19 2qgw h ALA 361 Cb -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2qgw h ALA 361 CO -0.03 0.31 0.66 0.87 0.00 0.00 0.00 179.25 181.05 2qgw h LYS 362 N 0.77 0.07 -0.00 0.00 1.57 -1.50 -1.75 116.57 115.73 2qgw h LYS 362 Ca 0.19 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2qgw h LYS 362 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qgw h LYS 362 CO -0.02 0.04 -0.36 0.54 -0.57 0.00 0.00 179.45 179.08 2qgw n ARG 363 N -4.31 0.26 -2.54 3.15 1.74 0.21 -4.48 116.66 110.69 2qgw n ARG 363 Ca 0.20 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 2qgw n ARG 363 Cb 0.96 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 2qgw n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qgw s VAL 364 N -2.83 4.46 0.14 1.55 1.01 -0.66 -4.85 120.40 119.22 2qgw s VAL 364 Ca 0.16 1.76 -0.34 0.00 0.00 0.00 0.00 61.98 63.55 2qgw s VAL 364 Cb 0.18 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 2qgw s VAL 364 CO 0.62 -0.20 1.32 -2.65 0.00 0.00 0.00 175.10 174.19 2qgw n PRO 365 N 6.54 1.36 0.00 2.72 -0.02 -1.26 -1.34 135.00 143.00 2qgw n PRO 365 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2qgw n PRO 365 Cb 0.46 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2qgw n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qgw n GLY 366 N 2.42 3.15 0.23 -1.23 0.00 -1.26 -4.89 105.19 103.62 2qgw n GLY 366 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 2qgw n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qgw h PHE 367 N 0.00 0.82 0.00 1.61 3.57 -1.49 -2.57 116.94 118.88 2qgw h PHE 367 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2qgw h PHE 367 Cb 0.00 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.52 2qgw h PHE 367 CO 0.00 0.80 0.00 -0.39 -2.23 0.00 0.00 178.31 176.49 2qgw h VAL 368 N 0.60 0.00 0.00 1.41 -1.51 -1.79 -2.24 116.25 112.72 2qgw h VAL 368 Ca 0.13 -0.25 -0.04 0.00 -1.23 0.00 0.00 66.70 65.30 2qgw h VAL 368 Cb 0.46 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2qgw h VAL 368 CO 0.02 0.00 -0.18 0.44 -1.23 0.00 0.00 177.57 176.62 2qgw h ASP 369 N 0.00 0.00 -4.33 4.19 3.32 -1.84 -3.45 116.42 114.31 2qgw h ASP 369 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2qgw h ASP 369 Cb 0.37 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.02 2qgw h ASP 369 CO 0.00 0.18 0.37 -0.76 -1.72 0.00 0.00 179.24 177.31 2qgw s LEU 370 N -6.68 3.04 0.91 1.55 1.43 -0.85 -5.03 118.68 113.05 2qgw s LEU 370 Ca 0.01 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2qgw s LEU 370 Cb 0.10 -4.37 0.14 0.00 0.03 0.00 0.00 46.19 42.09 2qgw s LEU 370 CO 0.62 -1.49 1.09 0.42 0.23 0.00 0.00 176.35 177.22 2qgw s THR 371 N -3.09 2.55 0.20 5.49 -4.23 -1.26 -4.83 115.64 110.47 2qgw s THR 371 Ca 0.58 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 2qgw s THR 371 Cb -0.14 -2.68 0.12 0.00 1.34 0.00 0.00 72.50 71.14 2qgw s THR 371 CO 0.55 -0.23 1.72 0.25 -0.54 0.00 0.00 174.62 176.37 2qgw h LEU 372 N -1.60 1.09 -1.42 4.79 5.85 -1.95 -1.69 115.31 120.37 2qgw h LEU 372 Ca -0.50 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 57.93 2qgw h LEU 372 Cb 1.29 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2qgw h LEU 372 CO 0.55 1.03 -0.28 0.45 -0.34 0.00 0.00 178.44 179.86 2qgw h HIS 373 N 1.09 0.00 0.21 1.25 3.86 -1.99 -0.90 115.15 118.67 2qgw h HIS 373 Ca 0.23 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.12 2qgw h HIS 373 Cb 0.37 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.86 2qgw h HIS 373 CO 0.03 0.28 -1.41 -0.44 0.86 0.00 0.00 177.93 177.24 2qgw h ASP 374 N 0.00 0.70 -0.42 2.45 3.32 -1.87 -2.73 116.42 117.88 2qgw h ASP 374 Ca -0.00 -0.75 0.02 0.00 0.02 0.00 0.00 57.03 56.31 2qgw h ASP 374 Cb 0.58 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2qgw h ASP 374 CO 0.04 1.59 0.24 1.56 -1.72 0.00 0.00 179.24 180.95 2qgw h GLN 375 N 0.12 0.47 -0.00 3.56 4.20 -1.14 -0.98 115.11 121.33 2qgw h GLN 375 Ca -0.22 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.49 2qgw h GLN 375 Cb 2.10 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 29.73 2qgw h GLN 375 CO 0.25 0.31 -0.26 0.28 -0.67 0.00 0.00 178.83 178.74 2qgw h VAL 376 N 0.48 0.41 -0.73 -0.54 2.07 -1.25 -1.90 116.25 114.79 2qgw h VAL 376 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.71 2qgw h VAL 376 Cb 0.02 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2qgw h VAL 376 CO -0.08 0.00 0.47 -0.74 0.02 0.00 0.00 177.57 177.24 2qgw h HIS 377 N -0.40 0.89 0.06 1.57 -0.00 -1.27 0.08 115.15 116.07 2qgw h HIS 377 Ca 0.06 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2qgw h HIS 377 Cb 0.49 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2qgw h HIS 377 CO -0.30 0.54 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.07 2qgw h LEU 378 N 0.95 -0.07 -0.47 0.26 3.38 -0.99 -0.16 115.31 118.22 2qgw h LEU 378 Ca 0.28 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 2qgw h LEU 378 Cb -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2qgw h LEU 378 CO -0.08 -0.01 -0.09 -0.07 0.09 0.00 0.00 178.44 178.28 2qgw h LEU 379 N -0.11 0.89 -0.80 1.67 3.38 -1.24 -2.09 115.31 117.01 2qgw h LEU 379 Ca -0.01 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2qgw h LEU 379 Cb 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2qgw h LEU 379 CO 0.01 1.03 0.50 -0.33 0.09 0.00 0.00 178.44 179.74 2qgw h GLU 380 N 0.73 0.92 -0.56 1.13 5.08 -0.90 0.10 114.58 121.09 2qgw h GLU 380 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2qgw h GLU 380 Cb 0.63 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2qgw h GLU 380 CO 0.04 0.61 0.19 0.00 -1.00 0.00 0.00 179.01 178.85 2qgw n ALA 382 N -2.37 3.42 -0.26 0.00 0.00 -0.80 -4.74 120.51 115.76 2qgw n ALA 382 Ca 0.03 -0.47 0.05 0.00 0.00 0.00 0.00 53.44 53.05 2qgw n ALA 382 Cb 0.19 -0.52 0.18 0.00 0.00 0.00 0.00 19.45 19.30 2qgw n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qgw h TRP 383 N 0.95 0.53 0.01 0.00 5.08 -0.98 -1.10 115.95 120.43 2qgw h TRP 383 Ca 0.00 0.04 -0.19 0.00 1.08 0.00 0.00 58.89 59.81 2qgw h TRP 383 Cb 0.43 -0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 26.46 2qgw h TRP 383 CO 0.00 0.08 -0.88 1.25 -1.28 0.00 0.00 178.44 177.61 2qgw h LEU 384 N 0.46 0.16 -0.21 0.11 5.85 -1.86 -1.74 115.31 118.08 2qgw h LEU 384 Ca 0.41 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2qgw h LEU 384 Cb 0.61 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2qgw h LEU 384 CO -0.39 0.95 0.12 -0.33 -0.34 0.00 0.00 178.44 178.45 2qgw h GLU 385 N 0.06 0.24 0.13 1.25 5.08 -1.56 0.16 114.58 119.93 2qgw h GLU 385 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2qgw h GLU 385 Cb 1.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2qgw h GLU 385 CO 0.13 0.16 -0.06 0.82 -1.00 0.00 0.00 179.01 179.05 2qgw h ILE 386 N 0.25 0.91 -0.52 3.13 2.04 -1.21 0.13 117.51 122.24 2qgw h ILE 386 Ca 0.08 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2qgw h ILE 386 Cb -0.00 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2qgw h ILE 386 CO -0.04 0.03 0.18 -0.07 0.00 0.00 0.00 178.15 178.25 2qgw h LEU 387 N -0.23 0.17 -0.50 1.44 3.38 -1.22 -1.82 115.31 116.53 2qgw h LEU 387 Ca -0.02 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2qgw h LEU 387 Cb 0.18 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2qgw h LEU 387 CO 0.03 0.12 -0.05 0.24 0.09 0.00 0.00 178.44 178.87 2qgw h MET 388 N 0.35 0.92 -0.47 1.13 2.86 -0.61 -1.15 114.93 117.96 2qgw h MET 388 Ca 0.25 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2qgw h MET 388 Cb 0.28 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2qgw h MET 388 CO -0.26 0.97 -0.03 0.97 1.06 0.00 0.00 176.91 179.61 2qgw h ILE 389 N 0.77 1.25 -0.24 -1.22 2.10 -0.57 -1.06 117.51 118.54 2qgw h ILE 389 Ca 0.14 -1.05 0.05 0.00 1.08 0.00 0.00 64.86 65.07 2qgw h ILE 389 Cb 0.58 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 37.19 2qgw h ILE 389 CO 0.04 0.37 -0.04 1.23 -1.08 0.00 0.00 178.15 178.67 2qgw h GLY 390 N 0.97 0.20 0.99 8.18 0.00 -1.02 -0.14 103.07 112.24 2qgw h GLY 390 Ca 0.14 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.54 2qgw h GLY 390 CO 0.02 -0.07 0.56 -2.00 0.00 0.00 0.00 176.54 175.05 2qgw h LEU 391 N 0.03 0.97 -0.44 3.11 5.85 -0.73 0.14 115.31 124.23 2qgw h LEU 391 Ca 0.12 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 2qgw h LEU 391 Cb 0.17 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2qgw h LEU 391 CO -0.23 0.70 -0.55 0.58 -0.34 0.00 0.00 178.44 178.60 2qgw h VAL 392 N 1.14 1.31 0.12 1.05 2.07 -1.01 -1.38 116.25 119.56 2qgw h VAL 392 Ca 0.32 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2qgw h VAL 392 Cb -0.11 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2qgw h VAL 392 CO -0.08 0.56 -0.13 -0.25 0.02 0.00 0.00 177.57 177.70 2qgw h TRP 393 N 0.51 -0.33 -0.06 1.57 2.91 -0.54 -2.80 115.95 117.21 2qgw h TRP 393 Ca 0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2qgw h TRP 393 Cb 1.11 0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.89 2qgw h TRP 393 CO 0.05 -0.20 0.04 0.00 -1.03 0.00 0.00 178.44 177.30 2qgw h ARG 394 N -0.28 0.06 -0.01 2.65 3.08 -0.58 -2.02 114.38 117.28 2qgw h ARG 394 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qgw h ARG 394 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qgw h ARG 394 CO -0.04 0.04 -0.05 0.43 -1.07 0.00 0.00 179.97 179.28 2qgw n SER 395 N -4.53 1.08 -0.21 7.04 7.64 -0.53 -4.38 113.62 119.72 2qgw n SER 395 Ca -0.02 -1.22 0.02 0.00 1.01 0.00 0.00 58.87 58.66 2qgw n SER 395 Cb 0.09 0.01 0.13 0.00 -1.01 0.00 0.00 64.21 63.43 2qgw n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qgw h MET 396 N 1.61 0.19 -0.63 1.43 2.86 -1.09 -2.46 114.93 116.83 2qgw h MET 396 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2qgw h MET 396 Cb 0.41 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2qgw h MET 396 CO 0.00 0.12 0.00 -0.85 1.06 0.00 0.00 176.91 177.24 2qgw n GLU 397 N -5.21 2.84 -3.52 1.72 0.28 -1.26 -4.57 120.64 110.92 2qgw n GLU 397 Ca 0.10 -1.77 -0.27 0.00 -0.16 0.00 0.00 57.16 55.06 2qgw n GLU 397 Cb 0.38 -1.73 -0.10 0.00 1.43 0.00 0.00 31.44 31.42 2qgw n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2qgw n HIS 398 N 0.53 0.62 -1.68 -1.84 8.25 -0.93 -5.11 115.22 115.07 2qgw n HIS 398 Ca 0.16 -3.68 -0.47 0.00 -0.26 0.00 0.00 57.72 53.47 2qgw n HIS 398 Cb 0.65 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.61 2qgw n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qgw n PRO 399 N 2.31 2.16 -0.88 -0.41 -0.02 -1.26 -1.60 135.00 135.30 2qgw n PRO 399 Ca 0.26 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2qgw n PRO 399 Cb 0.44 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2qgw n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qgw n GLY 400 N 4.02 0.69 3.16 -1.23 0.00 -1.26 -5.05 105.19 105.53 2qgw n GLY 400 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2qgw n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgw s LYS 401 N -0.12 0.80 -0.29 1.61 1.02 -0.63 -4.17 119.74 117.96 2qgw s LYS 401 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 54.88 2qgw s LYS 401 Cb 0.00 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 2qgw s LYS 401 CO 0.00 0.10 0.04 -0.51 -0.92 0.00 0.00 175.35 174.06 2qgw s LEU 402 N -2.16 3.75 -1.22 3.17 1.43 0.15 -4.82 118.68 118.97 2qgw s LEU 402 Ca 0.02 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 2qgw s LEU 402 Cb -0.06 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.49 2qgw s LEU 402 CO 0.01 -0.20 1.54 -0.22 0.23 0.00 0.00 176.35 177.70 2qgw s LEU 403 N 1.41 4.49 0.25 1.79 0.20 -1.26 -1.18 118.68 124.38 2qgw s LEU 403 Ca 0.00 -2.65 -0.05 0.00 0.69 0.00 0.00 54.13 52.12 2qgw s LEU 403 Cb -0.18 -2.48 0.31 0.00 -0.43 0.00 0.00 46.19 43.41 2qgw s LEU 403 CO 0.00 -0.97 1.89 -0.26 -0.29 0.00 0.00 176.35 176.72 2qgw h PHE 404 N 7.54 1.12 -3.44 5.38 0.04 -1.56 -3.43 116.94 122.60 2qgw h PHE 404 Ca 0.36 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 61.11 2qgw h PHE 404 Cb 0.89 -0.37 -0.12 0.00 2.20 0.00 0.00 35.95 38.54 2qgw h PHE 404 CO 1.25 0.63 -0.08 0.00 -0.60 0.00 0.00 178.31 179.51 2qgw s ALA 405 N -6.08 -0.80 0.52 2.45 0.00 -1.04 -4.92 121.76 111.89 2qgw s ALA 405 Ca -0.13 -0.22 0.21 0.00 0.00 0.00 0.00 51.96 51.82 2qgw s ALA 405 Cb 0.18 0.76 1.32 0.00 0.00 0.00 0.00 23.12 25.38 2qgw s ALA 405 CO 0.80 -0.69 2.05 -1.35 0.00 0.00 0.00 175.76 176.57 2qgw h PRO 406 N 2.34 0.03 -0.64 0.00 0.11 -1.88 -1.05 132.00 130.92 2qgw h PRO 406 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qgw h PRO 406 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qgw h PRO 406 CO 0.44 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 2qgw n ASN 407 N -4.45 3.55 -3.37 -2.05 6.94 -1.26 -4.63 115.26 109.99 2qgw n ASN 407 Ca 0.05 -1.99 -0.26 0.00 -0.02 0.00 0.00 54.58 52.35 2qgw n ASN 407 Cb 0.39 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.29 2qgw n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2qgw n LEU 408 N 1.45 -0.52 -4.27 -4.53 7.94 -0.40 -4.87 117.00 111.81 2qgw n LEU 408 Ca 0.22 -4.36 -0.38 0.00 -1.11 0.00 0.00 56.01 50.38 2qgw n LEU 408 Cb 0.57 0.56 -0.12 0.00 0.53 0.00 0.00 43.42 44.95 2qgw n LEU 408 CO 0.15 1.87 -0.25 -0.22 -1.11 0.00 0.00 177.39 177.83 2qgw s LEU 409 N 0.01 4.36 -0.06 -1.96 2.96 -1.25 -1.39 118.68 121.35 2qgw s LEU 409 Ca 0.33 -1.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.10 2qgw s LEU 409 Cb 0.05 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2qgw s LEU 409 CO -0.19 -0.34 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.60 2qgw s LEU 410 N 1.40 2.74 0.49 -0.68 1.43 -0.32 -4.88 118.68 118.86 2qgw s LEU 410 Ca -0.01 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 2qgw s LEU 410 Cb -0.20 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.50 2qgw s LEU 410 CO 0.03 0.33 0.68 1.51 0.23 0.00 0.00 176.35 179.12 2qgw s ASP 411 N -0.62 5.39 0.47 2.29 3.84 -1.26 0.33 116.67 127.11 2qgw s ASP 411 Ca 0.09 -0.46 0.21 0.00 -0.00 0.00 0.00 52.55 52.39 2qgw s ASP 411 Cb -0.11 -0.43 1.18 0.00 -1.38 0.00 0.00 42.92 42.18 2qgw s ASP 411 CO 0.01 -1.02 2.00 0.08 -0.00 0.00 0.00 175.17 176.24 2qgw h ARG 412 N 0.37 0.00 0.00 2.11 0.11 -1.97 -1.24 114.38 113.76 2qgw h ARG 412 Ca -0.38 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.62 2qgw h ARG 412 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 2qgw h ARG 412 CO 0.45 0.18 -0.42 -0.91 0.10 0.00 0.00 179.97 179.37 2qgw h ASN 413 N 0.00 0.00 0.64 0.08 2.35 -1.95 -2.40 115.58 114.31 2qgw h ASN 413 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 2qgw h ASN 413 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2qgw h ASN 413 CO 0.02 0.42 -0.85 1.56 -1.65 0.00 0.00 177.43 176.93 2qgw h GLN 414 N 0.00 0.14 -0.42 0.81 4.20 -1.62 -3.26 115.11 114.96 2qgw h GLN 414 Ca -0.00 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.59 2qgw h GLN 414 Cb 0.91 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2qgw h GLN 414 CO 0.05 0.91 0.28 0.78 -0.67 0.00 0.00 178.83 180.18 2qgw h GLY 415 N 2.01 0.50 1.90 3.46 0.00 -1.10 -2.15 103.07 107.69 2qgw h GLY 415 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2qgw h GLY 415 CO 0.13 0.15 0.05 0.50 0.00 0.00 0.00 176.54 177.36 2qgw h LYS 416 N 0.44 0.00 -0.20 4.80 1.57 -1.55 -2.05 116.57 119.58 2qgw h LYS 416 Ca 0.17 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 2qgw h LYS 416 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2qgw h LYS 416 CO -0.04 0.00 0.14 0.00 -0.57 0.00 0.00 179.45 178.98 2qgw s VAL 418 N -5.04 4.22 0.24 0.00 1.01 -0.77 -3.86 120.40 116.20 2qgw s VAL 418 Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 2qgw s VAL 418 Cb 0.18 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 2qgw s VAL 418 CO 0.69 0.46 1.32 -1.83 0.00 0.00 0.00 175.10 175.74 2qgw s GLU 419 N 0.54 4.38 0.00 2.72 -1.05 -1.26 -2.01 118.70 122.01 2qgw s GLU 419 Ca -0.00 2.11 0.00 0.00 -0.15 0.00 0.00 54.97 56.93 2qgw s GLU 419 Cb -0.14 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 2qgw s GLU 419 CO 0.02 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.40 2qgw n GLY 420 N 1.93 2.60 0.20 -3.83 0.00 -1.26 -4.90 105.19 99.93 2qgw n GLY 420 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2qgw n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qgw h MET 421 N 2.23 0.70 -0.44 1.61 -1.53 -1.61 -3.33 114.93 112.56 2qgw h MET 421 Ca 0.00 -0.67 0.08 0.00 -3.44 0.00 0.00 59.70 55.66 2qgw h MET 421 Cb 0.00 0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.20 2qgw h MET 421 CO 0.00 1.27 0.30 -0.24 0.14 0.00 0.00 176.91 178.38 2qgw h VAL 422 N 0.38 0.91 -0.83 -5.77 3.04 -1.75 0.26 116.25 112.51 2qgw h VAL 422 Ca -0.09 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2qgw h VAL 422 Cb 1.53 0.62 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 2qgw h VAL 422 CO 0.18 0.05 0.52 -0.33 -1.01 0.00 0.00 177.57 176.97 2qgw h GLU 423 N 0.27 1.11 -0.04 4.17 3.07 -1.95 -0.43 114.58 120.77 2qgw h GLU 423 Ca 0.20 -0.09 -0.15 0.00 -0.50 0.00 0.00 59.36 58.82 2qgw h GLU 423 Cb 0.44 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2qgw h GLU 423 CO -0.04 0.76 -0.57 0.82 -1.40 0.00 0.00 179.01 178.58 2qgw h ILE 424 N 1.13 1.40 -0.49 3.13 2.04 -0.72 -2.56 117.51 121.43 2qgw h ILE 424 Ca 0.30 -1.97 0.10 0.00 1.00 0.00 0.00 64.86 64.29 2qgw h ILE 424 Cb -0.08 2.41 -0.10 0.00 -0.74 0.00 0.00 36.82 38.31 2qgw h ILE 424 CO -0.06 0.58 -0.24 -0.26 0.00 0.00 0.00 178.15 178.18 2qgw h PHE 425 N 0.01 -0.60 -0.59 1.37 -1.00 -0.99 -0.51 116.94 114.62 2qgw h PHE 425 Ca -0.06 0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.84 2qgw h PHE 425 Cb 1.25 0.34 -0.06 0.00 3.61 0.00 0.00 35.95 41.10 2qgw h PHE 425 CO 0.13 -0.32 0.28 -0.44 -1.61 0.00 0.00 178.31 176.36 2qgw h ASP 426 N -0.12 0.37 -0.42 2.17 3.32 -0.95 0.32 116.42 121.10 2qgw h ASP 426 Ca 0.23 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.33 2qgw h ASP 426 Cb 0.48 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2qgw h ASP 426 CO -0.57 0.24 0.27 0.24 -1.72 0.00 0.00 179.24 177.70 2qgw h MET 427 N 0.52 0.53 -0.55 3.56 2.86 -1.08 -1.60 114.93 119.17 2qgw h MET 427 Ca 0.27 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 2qgw h MET 427 Cb 0.24 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2qgw h MET 427 CO -0.21 0.35 0.23 -0.07 1.06 0.00 0.00 176.91 178.26 2qgw h LEU 428 N 0.55 0.75 -0.83 1.22 3.38 0.04 -1.44 115.31 118.98 2qgw h LEU 428 Ca 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2qgw h LEU 428 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2qgw h LEU 428 CO -0.05 0.71 0.41 -0.07 0.09 0.00 0.00 178.44 179.53 2qgw h LEU 429 N 0.75 1.07 -0.78 1.67 3.38 -0.36 -0.94 115.31 120.11 2qgw h LEU 429 Ca 0.18 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2qgw h LEU 429 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qgw h LEU 429 CO -0.02 0.90 -0.41 0.00 0.09 0.00 0.00 178.44 179.00 2qgw h ALA 430 N 1.22 0.95 -0.14 1.53 0.00 -1.00 -1.29 119.26 120.53 2qgw h ALA 430 Ca 0.28 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2qgw h ALA 430 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qgw h ALA 430 CO -0.04 0.63 0.02 1.15 0.00 0.00 0.00 179.25 181.01 2qgw h THR 431 N 0.36 1.23 -0.82 0.00 2.02 -0.93 -0.88 112.91 113.88 2qgw h THR 431 Ca 0.03 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 66.60 2qgw h THR 431 Cb 0.87 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 2qgw h THR 431 CO 0.07 0.22 0.43 -1.28 0.37 0.00 0.00 175.52 175.33 2qgw h SER 432 N 0.00 0.55 -0.71 4.18 0.87 -1.06 -0.02 113.55 117.37 2qgw h SER 432 Ca 0.04 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2qgw h SER 432 Cb 0.32 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2qgw h SER 432 CO 0.00 0.27 0.44 0.28 -0.53 0.00 0.00 176.83 177.29 2qgw h SER 433 N 0.66 0.84 -0.13 6.23 0.02 -1.01 -1.16 113.55 119.01 2qgw h SER 433 Ca 0.43 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 2qgw h SER 433 Cb 0.53 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2qgw h SER 433 CO -0.32 0.65 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.87 2qgw h ARG 434 N 0.97 -0.04 -0.63 3.45 9.65 -0.19 -0.26 114.38 127.32 2qgw h ARG 434 Ca 0.26 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.27 2qgw h ARG 434 Cb -0.05 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.44 2qgw h ARG 434 CO -0.05 -0.03 0.05 0.74 2.80 0.00 0.00 179.97 183.49 2qgw h PHE 435 N -0.04 0.06 -0.41 2.20 -1.00 -0.71 -0.02 116.94 117.01 2qgw h PHE 435 Ca 0.07 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 2qgw h PHE 435 Cb 0.15 0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 2qgw h PHE 435 CO -0.19 -0.13 0.07 -0.09 -1.61 0.00 0.00 178.31 176.37 2qgw h ARG 436 N 0.17 0.67 -0.51 1.51 2.43 -0.95 -0.27 114.38 117.43 2qgw h ARG 436 Ca 0.33 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2qgw h ARG 436 Cb 0.54 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2qgw h ARG 436 CO -0.50 0.71 0.28 0.52 -1.51 0.00 0.00 179.97 179.48 2qgw h MET 437 N 0.53 0.54 0.00 0.20 2.86 -0.63 -2.61 114.93 115.83 2qgw h MET 437 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2qgw h MET 437 Cb 0.36 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2qgw h MET 437 CO 0.01 0.36 -0.06 0.52 1.06 0.00 0.00 176.91 178.80 2qgw h MET 438 N 0.56 0.00 -5.63 1.72 2.86 -0.85 -3.47 114.93 110.12 2qgw h MET 438 Ca 0.22 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.53 2qgw h MET 438 Cb 0.08 0.00 0.17 0.00 0.06 0.00 0.00 31.60 31.91 2qgw h MET 438 CO -0.12 0.06 -0.77 -1.71 1.06 0.00 0.00 176.91 175.43 2qgw n ASN 439 N -3.17 -2.14 -4.70 1.22 5.15 -0.20 -4.92 115.26 106.50 2qgw n ASN 439 Ca 0.01 -0.62 -0.44 0.00 -0.60 0.00 0.00 54.58 52.93 2qgw n ASN 439 Cb 0.36 -5.11 -0.03 0.00 -0.53 0.00 0.00 39.78 34.47 2qgw n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qgw n LEU 440 N -4.10 3.65 -4.92 1.20 7.94 -0.68 -4.99 117.00 115.11 2qgw n LEU 440 Ca -0.28 1.10 -0.31 0.00 -1.11 0.00 0.00 56.01 55.41 2qgw n LEU 440 Cb 0.67 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 2qgw n LEU 440 CO 0.61 -0.09 -0.14 -1.10 -1.11 0.00 0.00 177.39 175.55 2qgw s GLN 441 N 0.40 3.44 0.27 1.96 -1.52 -1.26 -4.97 119.66 117.99 2qgw s GLN 441 Ca 0.72 -0.44 0.00 0.00 -1.95 0.00 0.00 55.36 53.69 2qgw s GLN 441 Cb -0.58 -3.03 0.52 0.00 -0.22 0.00 0.00 33.01 29.70 2qgw s GLN 441 CO 0.41 0.60 1.82 0.78 -0.25 0.00 0.00 175.29 178.66 2qgw h GLY 442 N 3.04 1.55 0.94 3.09 0.00 -1.98 0.65 103.07 110.37 2qgw h GLY 442 Ca -0.45 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.52 2qgw h GLY 442 CO 0.76 0.13 0.66 0.83 0.00 0.00 0.00 176.54 178.92 2qgw h GLU 443 N 0.92 1.28 -0.14 4.80 3.07 -1.98 0.05 114.58 122.58 2qgw h GLU 443 Ca 0.48 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 59.09 2qgw h GLU 443 Cb 0.48 -0.29 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2qgw h GLU 443 CO -0.27 0.85 -0.64 0.93 -1.40 0.00 0.00 179.01 178.48 2qgw h GLU 444 N 1.32 0.51 -0.40 2.33 5.08 -1.57 -2.85 114.58 119.00 2qgw h GLU 444 Ca 0.39 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qgw h GLU 444 Cb -0.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2qgw h GLU 444 CO -0.10 0.98 0.26 0.35 -1.00 0.00 0.00 179.01 179.49 2qgw h PHE 445 N 0.37 0.52 0.00 4.33 3.57 -0.21 -1.98 116.94 123.54 2qgw h PHE 445 Ca -0.01 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2qgw h PHE 445 Cb 1.20 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2qgw h PHE 445 CO 0.05 0.35 -0.37 -0.39 -2.23 0.00 0.00 178.31 175.71 2qgw h VAL 446 N 0.54 1.13 -0.01 1.41 -1.51 -0.98 -1.41 116.25 115.42 2qgw h VAL 446 Ca 0.15 -1.34 -0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2qgw h VAL 446 Cb -0.03 1.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 2qgw h VAL 446 CO -0.03 0.36 -0.00 0.00 -1.23 0.00 0.00 177.57 176.67 2qgw h LEU 448 N -0.37 0.40 -1.18 0.00 3.38 -1.21 0.02 115.31 116.34 2qgw h LEU 448 Ca 0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2qgw h LEU 448 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qgw h LEU 448 CO 0.00 0.26 0.12 0.50 0.09 0.00 0.00 178.44 179.41 2qgw h LYS 449 N 0.54 0.70 -0.17 1.13 3.64 -1.31 -1.28 116.57 119.82 2qgw h LYS 449 Ca 0.27 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 2qgw h LYS 449 Cb 0.22 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2qgw h LYS 449 CO -0.21 0.63 -0.59 0.77 -2.27 0.00 0.00 179.45 177.78 2qgw h SER 450 N 0.68 0.61 -0.64 4.20 0.02 -0.97 -2.63 113.55 114.82 2qgw h SER 450 Ca 0.16 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2qgw h SER 450 Cb 0.24 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2qgw h SER 450 CO -0.00 1.06 0.11 0.40 -1.14 0.00 0.00 176.83 177.26 2qgw h ILE 451 N 0.41 1.26 -0.22 3.27 2.04 -0.70 -2.27 117.51 121.30 2qgw h ILE 451 Ca -0.00 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.86 2qgw h ILE 451 Cb 1.14 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2qgw h ILE 451 CO 0.11 0.38 0.11 0.40 0.00 0.00 0.00 178.15 179.14 2qgw h ILE 452 N 0.96 1.00 -0.44 -0.67 2.04 -1.16 0.15 117.51 119.40 2qgw h ILE 452 Ca 0.19 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 66.05 2qgw h ILE 452 Cb 0.42 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2qgw h ILE 452 CO 0.01 0.04 0.04 0.25 0.00 0.00 0.00 178.15 178.50 2qgw h LEU 453 N 0.23 -0.09 0.04 1.44 5.85 -1.28 -2.22 115.31 119.28 2qgw h LEU 453 Ca 0.09 0.09 -0.25 0.00 0.84 0.00 0.00 57.88 58.65 2qgw h LEU 453 Cb 0.02 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2qgw h LEU 453 CO -0.06 -0.01 -1.14 -0.07 -0.34 0.00 0.00 178.44 176.81 2qgw h LEU 454 N 0.16 0.36 0.09 2.25 3.38 -1.09 -3.40 115.31 117.06 2qgw h LEU 454 Ca 0.22 -0.37 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 2qgw h LEU 454 Cb 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qgw h LEU 454 CO -0.33 1.26 -1.64 -1.13 0.09 0.00 0.00 178.44 176.69 2qgw h ASN 455 N 0.08 0.29 -0.52 -0.43 -1.24 -0.61 -3.36 115.58 109.79 2qgw h ASN 455 Ca -0.10 -0.80 0.09 0.00 0.71 0.00 0.00 56.30 56.20 2qgw h ASN 455 Cb 1.86 -0.09 -0.07 0.00 0.73 0.00 0.00 38.32 40.74 2qgw h ASN 455 CO 0.18 1.70 0.12 0.28 -1.29 0.00 0.00 177.43 178.42 2qgw h SER 456 N -0.34 0.04 -0.45 1.15 0.02 -1.58 -0.45 113.55 111.95 2qgw h SER 456 Ca -0.37 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2qgw h SER 456 Cb 1.76 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.41 2qgw h SER 456 CO -0.01 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2qgw n GLY 457 N -1.29 1.51 0.21 -3.77 0.00 -1.26 -4.58 105.19 96.01 2qgw n GLY 457 Ca 0.06 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.51 2qgw n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qgw h VAL 458 N 3.65 0.89 0.00 1.61 3.04 -1.22 -2.84 116.25 121.37 2qgw h VAL 458 Ca 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2qgw h VAL 458 Cb 0.82 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2qgw h VAL 458 CO 0.00 0.30 -0.93 -1.22 -1.01 0.00 0.00 177.57 174.70 2qgw n TYR 459 N -3.70 0.28 -1.91 3.17 4.01 -1.26 -4.98 117.16 112.77 2qgw n TYR 459 Ca -0.01 0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 2qgw n TYR 459 Cb 0.41 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2qgw n TYR 459 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2qgw n THR 460 N -1.94 3.59 0.00 -0.72 -1.04 -1.07 -5.26 114.28 107.85 2qgw n THR 460 Ca 0.02 -3.29 0.00 0.00 -2.04 0.00 0.00 64.05 58.75 2qgw n THR 460 Cb 0.43 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.38 2qgw n THR 460 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2qgw n SER 464 N 6.29 0.00 0.00 8.00 2.88 -1.26 -5.15 113.62 124.37 2qgw n SER 464 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2qgw n SER 464 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2qgw n SER 464 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qgw n THR 465 N 0.00 0.00 -0.16 2.46 -2.24 -1.26 -3.20 114.28 109.88 2qgw n THR 465 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qgw n THR 465 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2qgw n THR 465 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qgw n LEU 466 N 0.00 -0.26 -0.08 3.22 7.94 -1.26 -2.22 117.00 124.34 2qgw n LEU 466 Ca 0.00 0.73 -0.08 0.00 -1.11 0.00 0.00 56.01 55.56 2qgw n LEU 466 Cb 0.00 -0.17 -0.06 0.00 0.53 0.00 0.00 43.42 43.72 2qgw n LEU 466 CO 0.00 -0.66 0.50 0.11 -1.11 0.00 0.00 177.39 176.22 2qgw h LYS 467 N 0.00 -0.21 -0.28 1.96 1.57 -1.98 0.43 116.57 118.05 2qgw h LYS 467 Ca 0.15 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 2qgw h LYS 467 Cb 0.26 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2qgw h LYS 467 CO -0.42 -0.14 -0.24 0.77 -0.57 0.00 0.00 179.45 178.84 2qgw h SER 468 N -0.22 0.70 -0.33 0.86 0.02 -1.61 -3.18 113.55 109.79 2qgw h SER 468 Ca 0.04 -0.46 0.05 0.00 -0.84 0.00 0.00 61.79 60.58 2qgw h SER 468 Cb 0.33 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2qgw h SER 468 CO -0.33 1.01 0.06 -0.07 -1.14 0.00 0.00 176.83 176.36 2qgw h LEU 469 N 0.40 -0.01 -0.44 5.07 4.07 -1.12 -1.87 115.31 121.41 2qgw h LEU 469 Ca 0.05 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2qgw h LEU 469 Cb 0.80 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2qgw h LEU 469 CO 0.06 0.03 0.00 -0.33 -1.08 0.00 0.00 178.44 177.12 2qgw h GLU 470 N 0.17 0.00 -0.30 1.13 4.39 -0.24 0.15 114.58 119.88 2qgw h GLU 470 Ca 0.15 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.67 2qgw h GLU 470 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2qgw h GLU 470 CO -0.21 0.00 -0.53 0.93 -1.16 0.00 0.00 179.01 178.04 2qgw h GLU 471 N 0.00 0.89 -0.14 2.33 4.39 -1.48 -2.62 114.58 117.94 2qgw h GLU 471 Ca 0.00 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.12 2qgw h GLU 471 Cb 0.77 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2qgw h GLU 471 CO 0.00 1.19 -0.02 0.87 -1.16 0.00 0.00 179.01 179.89 2qgw h LYS 472 N 0.68 0.26 -0.36 2.33 1.57 -0.56 -2.26 116.57 118.23 2qgw h LYS 472 Ca 0.02 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2qgw h LYS 472 Cb 1.14 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 2qgw h LYS 472 CO 0.12 0.52 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.03 2qgw h ASP 473 N -0.02 -0.25 -0.29 0.86 5.19 -0.83 -1.15 116.42 119.93 2qgw h ASP 473 Ca 0.04 0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 2qgw h ASP 473 Cb 0.41 0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 2qgw h ASP 473 CO 0.01 -0.08 0.03 -0.74 -3.12 0.00 0.00 179.24 175.34 2qgw h HIS 474 N 0.04 0.05 -0.63 4.55 2.76 -1.42 -0.48 115.15 120.02 2qgw h HIS 474 Ca 0.17 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2qgw h HIS 474 Cb 0.26 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 2qgw h HIS 474 CO -0.29 -0.01 0.39 0.82 -1.30 0.00 0.00 177.93 177.55 2qgw h ILE 475 N 0.13 1.09 -0.17 6.26 2.04 -1.09 -1.61 117.51 124.16 2qgw h ILE 475 Ca 0.14 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2qgw h ILE 475 Cb 0.16 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2qgw h ILE 475 CO -0.20 0.14 -0.22 0.45 0.00 0.00 0.00 178.15 178.33 2qgw h HIS 476 N 0.78 0.32 -0.65 1.37 3.86 -0.82 0.24 115.15 120.26 2qgw h HIS 476 Ca 0.25 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 2qgw h HIS 476 Cb 0.00 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2qgw h HIS 476 CO -0.05 0.50 0.11 0.00 0.86 0.00 0.00 177.93 179.35 2qgw h ARG 477 N 0.27 1.06 -0.27 2.45 -0.00 -0.45 -0.85 114.38 116.60 2qgw h ARG 477 Ca 0.05 -0.27 -0.09 0.00 -0.50 0.00 0.00 59.98 59.17 2qgw h ARG 477 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.37 2qgw h ARG 477 CO 0.04 0.97 -0.17 0.28 0.00 0.00 0.00 179.97 181.08 2qgw h VAL 478 N 0.99 1.30 -1.00 2.04 2.07 -0.92 -2.38 116.25 118.36 2qgw h VAL 478 Ca 0.20 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2qgw h VAL 478 Cb 0.42 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2qgw h VAL 478 CO 0.01 0.40 0.65 -0.07 0.02 0.00 0.00 177.57 178.59 2qgw h LEU 479 N 0.31 1.10 -0.92 2.57 3.38 -0.85 -1.10 115.31 119.81 2qgw h LEU 479 Ca 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2qgw h LEU 479 Cb 0.70 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2qgw h LEU 479 CO 0.05 0.77 0.11 0.44 0.09 0.00 0.00 178.44 179.90 2qgw h ASP 480 N 1.29 0.86 -0.73 -0.43 3.32 -1.13 -1.98 116.42 117.60 2qgw h ASP 480 Ca 0.39 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2qgw h ASP 480 Cb -0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 2qgw h ASP 480 CO -0.11 0.85 0.26 0.11 -1.72 0.00 0.00 179.24 178.63 2qgw h LYS 481 N 0.87 1.13 -0.20 3.56 1.57 -0.81 -1.52 116.57 121.16 2qgw h LYS 481 Ca 0.18 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2qgw h LYS 481 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2qgw h LYS 481 CO 0.00 0.94 -0.30 0.82 -0.57 0.00 0.00 179.45 180.35 2qgw h ILE 482 N 1.09 1.27 -0.22 1.86 2.04 -1.00 -1.26 117.51 121.30 2qgw h ILE 482 Ca 0.24 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2qgw h ILE 482 Cb 0.26 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2qgw h ILE 482 CO -0.01 0.41 0.06 0.74 0.00 0.00 0.00 178.15 179.35 2qgw h THR 483 N 0.35 1.20 -0.72 -0.27 2.02 -1.16 -1.03 112.91 113.30 2qgw h THR 483 Ca 0.05 -0.64 0.10 0.00 0.77 0.00 0.00 66.41 66.68 2qgw h THR 483 Cb 0.70 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 2qgw h THR 483 CO 0.05 0.20 0.48 0.44 0.37 0.00 0.00 175.52 177.06 2qgw h ASP 484 N 0.17 0.56 -0.15 4.18 3.32 -1.04 -1.66 116.42 121.79 2qgw h ASP 484 Ca 0.07 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 2qgw h ASP 484 Cb 0.25 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.71 2qgw h ASP 484 CO -0.00 0.33 -0.52 0.74 -1.72 0.00 0.00 179.24 178.07 2qgw h THR 485 N 0.62 1.33 -0.31 0.35 2.02 -0.92 -0.80 112.91 115.20 2qgw h THR 485 Ca 0.33 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.73 2qgw h THR 485 Cb 0.47 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2qgw h THR 485 CO -0.12 0.55 0.20 -0.07 0.37 0.00 0.00 175.52 176.46 2qgw h LEU 486 N 0.28 0.35 -0.34 2.58 3.38 -0.78 -0.62 115.31 120.15 2qgw h LEU 486 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qgw h LEU 486 Cb 1.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2qgw h LEU 486 CO 0.11 0.25 0.18 0.40 0.09 0.00 0.00 178.44 179.47 2qgw h ILE 487 N 0.42 1.15 -0.55 1.22 1.08 -1.30 -1.99 117.51 117.54 2qgw h ILE 487 Ca 0.11 -0.39 0.11 0.00 -0.39 0.00 0.00 64.86 64.30 2qgw h ILE 487 Cb -0.04 0.79 -0.11 0.00 -3.07 0.00 0.00 36.82 34.38 2qgw h ILE 487 CO -0.03 0.15 -0.19 -0.74 -0.69 0.00 0.00 178.15 176.65 2qgw h HIS 488 N 0.42 -0.46 -0.61 1.37 -0.00 -0.91 -0.12 115.15 114.83 2qgw h HIS 488 Ca 0.12 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.58 2qgw h HIS 488 Cb 0.08 0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 2qgw h HIS 488 CO -0.02 -0.29 0.36 -0.07 -0.00 0.00 0.00 177.93 177.91 2qgw h LEU 489 N -0.06 0.57 -0.36 0.26 3.38 -0.61 -0.33 115.31 118.16 2qgw h LEU 489 Ca 0.26 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2qgw h LEU 489 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2qgw h LEU 489 CO -0.59 0.39 -0.26 0.24 0.09 0.00 0.00 178.44 178.31 2qgw h MET 490 N 0.70 0.82 -0.25 1.13 2.86 -0.86 -0.92 114.93 118.41 2qgw h MET 490 Ca 0.26 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2qgw h MET 490 Cb 0.07 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2qgw h MET 490 CO -0.13 1.03 0.09 0.00 1.06 0.00 0.00 176.91 178.97 2qgw h ALA 491 N 0.77 0.29 -0.43 6.32 0.00 -0.86 -1.84 119.26 123.52 2qgw h ALA 491 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qgw h ALA 491 Cb 0.83 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2qgw h ALA 491 CO 0.07 -0.32 0.28 -0.22 0.00 0.00 0.00 179.25 179.07 2qgw h LYS 492 N 0.21 0.57 0.00 0.00 1.63 -0.89 -0.41 116.57 117.68 2qgw h LYS 492 Ca 0.11 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2qgw h LYS 492 Cb 0.07 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 2qgw h LYS 492 CO -0.10 0.38 0.00 0.00 -3.45 0.00 0.00 179.45 176.28 2qgw n ALA 493 N -2.47 2.40 -0.55 5.00 0.00 -0.36 -4.91 120.51 119.61 2qgw n ALA 493 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qgw n ALA 493 Cb 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2qgw n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qgw n GLY 494 N 0.91 0.71 3.77 0.00 0.00 -0.16 -5.06 105.19 105.36 2qgw n GLY 494 Ca 0.15 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2qgw n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qgw s LEU 495 N 0.00 4.23 1.04 0.99 1.02 -0.74 -5.02 118.68 120.21 2qgw s LEU 495 Ca 0.00 2.57 -0.13 0.00 0.02 0.00 0.00 54.13 56.59 2qgw s LEU 495 Cb 0.00 -3.91 0.21 0.00 0.02 0.00 0.00 46.19 42.52 2qgw s LEU 495 CO 0.00 -0.76 1.08 0.42 0.02 0.00 0.00 176.35 177.11 2qgw s THR 496 N -1.29 2.03 0.29 5.49 -4.23 -1.26 -4.53 115.64 112.14 2qgw s THR 496 Ca 0.56 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 2qgw s THR 496 Cb -0.36 -2.41 0.26 0.00 1.34 0.00 0.00 72.50 71.33 2qgw s THR 496 CO 0.46 -0.01 1.96 0.25 -0.54 0.00 0.00 174.62 176.74 2qgw h LEU 497 N -2.08 1.00 -0.14 4.79 5.85 -2.00 -0.28 115.31 122.46 2qgw h LEU 497 Ca -0.56 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.00 2qgw h LEU 497 Cb 1.33 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2qgw h LEU 497 CO 0.56 0.72 -0.44 1.56 -0.34 0.00 0.00 178.44 180.51 2qgw h GLN 498 N 1.18 0.55 -0.30 1.25 4.20 -2.01 -2.99 115.11 117.00 2qgw h GLN 498 Ca 0.33 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2qgw h GLN 498 Cb -0.12 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2qgw h GLN 498 CO -0.07 1.02 0.18 1.96 -0.67 0.00 0.00 178.83 181.25 2qgw h GLN 499 N 0.18 0.39 0.17 1.46 4.20 -1.85 -1.91 115.11 117.75 2qgw h GLN 499 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2qgw h GLN 499 Cb 1.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2qgw h GLN 499 CO 0.09 0.27 -0.08 1.96 -0.67 0.00 0.00 178.83 180.40 2qgw h GLN 500 N 0.40 -0.23 -0.17 1.46 4.20 -0.91 -0.65 115.11 119.23 2qgw h GLN 500 Ca 0.11 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 2qgw h GLN 500 Cb -0.02 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2qgw h GLN 500 CO -0.02 -0.10 -0.49 1.12 -0.67 0.00 0.00 178.83 178.67 2qgw h HIS 501 N -0.29 0.53 -0.42 2.96 2.07 -1.41 -1.53 115.15 117.06 2qgw h HIS 501 Ca -0.02 -0.17 -0.02 0.00 -2.85 0.00 0.00 60.37 57.30 2qgw h HIS 501 Cb 0.23 -0.11 -0.02 0.00 2.57 0.00 0.00 27.41 30.08 2qgw h HIS 501 CO -0.05 0.84 0.18 1.96 -3.07 0.00 0.00 177.93 177.79 2qgw h GLN 502 N 0.35 0.62 -0.29 5.12 4.20 -1.30 -1.86 115.11 121.94 2qgw h GLN 502 Ca 0.02 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 2qgw h GLN 502 Cb 0.98 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2qgw h GLN 502 CO 0.09 0.56 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.50 2qgw h ARG 503 N 0.53 0.65 -0.49 1.46 2.43 -1.04 -1.40 114.38 116.53 2qgw h ARG 503 Ca 0.14 -0.32 0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2qgw h ARG 503 Cb 0.16 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 2qgw h ARG 503 CO -0.01 0.92 -0.05 1.25 -1.51 0.00 0.00 179.97 180.56 2qgw h LEU 504 N 0.39 -0.32 0.34 3.80 5.85 -1.21 0.16 115.31 124.33 2qgw h LEU 504 Ca 0.05 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2qgw h LEU 504 Cb 0.76 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2qgw h LEU 504 CO 0.06 -0.11 -0.41 0.00 -0.34 0.00 0.00 178.44 177.64 2qgw h ALA 505 N 1.46 -0.85 -0.84 1.25 0.00 -1.26 -1.66 119.26 117.35 2qgw h ALA 505 Ca 0.24 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2qgw h ALA 505 Cb 0.37 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 2qgw h ALA 505 CO -0.45 -1.02 0.44 1.96 0.00 0.00 0.00 179.25 180.18 2qgw h GLN 506 N -0.79 0.63 -0.39 0.00 4.20 -0.71 -0.48 115.11 117.58 2qgw h GLN 506 Ca -0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2qgw h GLN 506 Cb 0.72 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2qgw h GLN 506 CO -0.10 0.42 0.05 -0.07 -0.67 0.00 0.00 178.83 178.46 2qgw h LEU 507 N 0.65 0.63 -0.86 1.46 3.38 -0.62 -3.19 115.31 116.76 2qgw h LEU 507 Ca 0.45 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2qgw h LEU 507 Cb 0.60 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2qgw h LEU 507 CO -0.34 0.74 -0.47 -0.07 0.09 0.00 0.00 178.44 178.38 2qgw h LEU 508 N 0.49 0.00 -1.45 1.67 3.38 -0.72 -2.94 115.31 115.74 2qgw h LEU 508 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2qgw h LEU 508 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qgw h LEU 508 CO 0.01 0.47 -0.22 -0.07 0.09 0.00 0.00 178.44 178.72 2qgw h LEU 509 N 0.00 0.00 -1.74 1.67 3.38 -1.11 -2.34 115.31 115.17 2qgw h LEU 509 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qgw h LEU 509 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2qgw h LEU 509 CO 0.06 0.22 0.18 0.40 0.09 0.00 0.00 178.44 179.39 2qgw h ILE 510 N 0.00 1.06 -0.06 1.22 1.08 -1.50 -2.66 117.51 116.65 2qgw h ILE 510 Ca -0.00 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 2qgw h ILE 510 Cb 0.58 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2qgw h ILE 510 CO 0.03 0.07 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.41 2qgw h LEU 511 N 0.36 0.08 -0.72 1.44 3.38 -1.54 -0.36 115.31 117.95 2qgw h LEU 511 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2qgw h LEU 511 Cb -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2qgw h LEU 511 CO -0.02 0.17 0.35 -1.28 0.09 0.00 0.00 178.44 177.74 2qgw h SER 512 N 0.08 0.93 -0.15 -0.43 0.87 -1.60 0.15 113.55 113.41 2qgw h SER 512 Ca 0.02 -0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.32 2qgw h SER 512 Cb 0.19 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2qgw h SER 512 CO 0.01 0.80 -0.34 0.45 -0.53 0.00 0.00 176.83 177.23 2qgw h HIS 513 N 1.00 0.76 -0.24 2.24 3.86 -1.34 -1.80 115.15 119.63 2qgw h HIS 513 Ca 0.25 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2qgw h HIS 513 Cb 0.11 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2qgw h HIS 513 CO 0.01 0.90 -0.20 0.82 0.86 0.00 0.00 177.93 180.32 2qgw h ILE 514 N 0.55 1.31 -0.35 2.45 2.04 -0.96 -1.57 117.51 120.98 2qgw h ILE 514 Ca 0.06 -1.34 0.07 0.00 1.00 0.00 0.00 64.86 64.65 2qgw h ILE 514 Cb 0.84 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 2qgw h ILE 514 CO 0.07 0.42 -0.15 -0.09 0.00 0.00 0.00 178.15 178.40 2qgw h ARG 515 N 0.26 -0.09 -0.44 2.37 9.65 -0.69 -0.99 114.38 124.46 2qgw h ARG 515 Ca 0.04 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.00 2qgw h ARG 515 Cb 0.74 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.28 2qgw h ARG 515 CO 0.05 -0.06 0.07 1.25 2.80 0.00 0.00 179.97 184.08 2qgw h HIS 516 N -0.09 0.11 -0.64 2.20 2.76 -1.25 -0.78 115.15 117.46 2qgw h HIS 516 Ca 0.17 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 2qgw h HIS 516 Cb 0.36 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 2qgw h HIS 516 CO -0.37 -0.01 0.15 0.52 -1.30 0.00 0.00 177.93 176.92 2qgw h MET 517 N 0.20 1.00 -0.23 5.26 2.86 -0.96 -1.16 114.93 121.91 2qgw h MET 517 Ca 0.22 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2qgw h MET 517 Cb 0.28 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2qgw h MET 517 CO -0.30 0.89 0.05 1.03 1.06 0.00 0.00 176.91 179.65 2qgw h SER 518 N 0.96 0.35 -0.29 1.22 0.87 -0.85 0.16 113.55 115.96 2qgw h SER 518 Ca 0.20 -0.23 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2qgw h SER 518 Cb 0.34 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 2qgw h SER 518 CO 0.00 0.49 -0.15 0.78 -0.53 0.00 0.00 176.83 177.43 2qgw h ASN 519 N 0.19 -0.49 -0.52 6.23 2.35 -0.88 0.13 115.58 122.59 2qgw h ASN 519 Ca 0.07 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2qgw h ASN 519 Cb 0.28 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 2qgw h ASN 519 CO 0.00 -0.18 0.33 0.11 -1.65 0.00 0.00 177.43 176.04 2qgw h LYS 520 N -0.10 0.69 -0.04 0.81 1.79 -1.11 -2.25 116.57 116.36 2qgw h LYS 520 Ca 0.15 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 2qgw h LYS 520 Cb 0.34 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2qgw h LYS 520 CO -0.36 0.47 -0.31 0.78 -1.08 0.00 0.00 179.45 178.95 2qgw h GLY 521 N 0.70 0.08 0.78 3.86 0.00 -0.23 -0.63 103.07 107.62 2qgw h GLY 521 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 2qgw h GLY 521 CO -0.04 0.05 -0.15 1.98 0.00 0.00 0.00 176.54 178.38 2qgw h MET 522 N 0.06 0.41 -0.29 4.80 1.85 -0.52 -0.16 114.93 121.08 2qgw h MET 522 Ca 0.01 -0.21 0.06 0.00 -0.61 0.00 0.00 59.70 58.95 2qgw h MET 522 Cb 0.58 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.56 2qgw h MET 522 CO 0.04 0.76 -0.12 0.93 -0.40 0.00 0.00 176.91 178.12 2qgw h GLU 523 N 0.06 -0.07 -0.73 0.39 5.08 -1.24 -0.09 114.58 117.98 2qgw h GLU 523 Ca 0.03 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2qgw h GLU 523 Cb 0.68 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2qgw h GLU 523 CO 0.04 -0.05 0.32 1.25 -1.00 0.00 0.00 179.01 179.57 2qgw h HIS 524 N -0.08 1.08 -0.31 4.33 2.76 -1.01 -1.25 115.15 120.68 2qgw h HIS 524 Ca 0.15 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 2qgw h HIS 524 Cb 0.30 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2qgw h HIS 524 CO -0.32 0.81 -0.06 1.25 -1.30 0.00 0.00 177.93 178.31 2qgw h LEU 525 N 1.03 0.58 -0.92 0.26 5.85 -0.90 -1.59 115.31 119.61 2qgw h LEU 525 Ca 0.25 -0.35 0.17 0.00 0.84 0.00 0.00 57.88 58.79 2qgw h LEU 525 Cb 0.16 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 2qgw h LEU 525 CO -0.03 0.80 0.51 0.22 -0.34 0.00 0.00 178.44 179.60 2qgw h TYR 526 N 0.35 0.89 -0.39 1.25 5.03 -0.75 -0.20 116.97 123.15 2qgw h TYR 526 Ca 0.08 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.27 2qgw h TYR 526 Cb 0.53 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2qgw h TYR 526 CO 0.05 0.19 -0.36 1.03 -1.32 0.00 0.00 178.16 177.75 2qgw h SER 527 N 0.67 1.00 -0.68 -2.11 0.87 -0.76 0.42 113.55 112.96 2qgw h SER 527 Ca 0.52 -0.46 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2qgw h SER 527 Cb 0.79 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2qgw h SER 527 CO -0.38 1.25 0.23 0.24 -0.53 0.00 0.00 176.83 177.63 2qgw h MET 528 N 0.76 1.05 -0.05 2.24 2.86 -0.74 -0.90 114.93 120.15 2qgw h MET 528 Ca 0.07 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2qgw h MET 528 Cb 0.95 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2qgw h MET 528 CO 0.09 0.90 0.03 -0.22 1.06 0.00 0.00 176.91 178.77 2qgw h LYS 529 N 0.99 0.07 0.00 1.72 3.11 -0.84 -1.42 116.57 120.20 2qgw h LYS 529 Ca 0.22 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2qgw h LYS 529 Cb 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2qgw h LYS 529 CO -0.01 0.10 0.00 0.00 -2.81 0.00 0.00 179.45 176.73 2qgw n LYS 531 N -2.92 2.25 -3.83 0.00 5.02 -0.36 -4.96 118.16 113.36 2qgw n LYS 531 Ca 0.01 -1.92 -0.29 0.00 -2.02 0.00 0.00 58.31 54.10 2qgw n LYS 531 Cb 0.30 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2qgw n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qgw n ASN 532 N 1.08 -5.21 0.10 4.39 5.03 -0.80 -4.89 115.26 114.97 2qgw n ASN 532 Ca 0.18 -0.72 -0.16 0.00 0.87 0.00 0.00 54.58 54.76 2qgw n ASN 532 Cb 0.48 -4.18 -0.12 0.00 -1.02 0.00 0.00 39.78 34.93 2qgw n ASN 532 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2qgw h VAL 533 N -2.25 1.47 -2.53 2.41 2.07 -1.50 -3.47 116.25 112.45 2qgw h VAL 533 Ca -0.58 -2.93 -0.09 0.00 0.82 0.00 0.00 66.70 63.92 2qgw h VAL 533 Cb 1.37 2.87 -0.24 0.00 -1.52 0.00 0.00 31.29 33.77 2qgw h VAL 533 CO 0.64 0.86 -0.19 0.54 0.02 0.00 0.00 177.57 179.45 2qgw s VAL 534 N -2.76 -0.01 -0.02 2.57 0.11 -1.26 -4.63 120.40 114.40 2qgw s VAL 534 Ca -0.05 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.74 2qgw s VAL 534 Cb 0.07 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2qgw s VAL 534 CO 0.89 0.02 1.10 -2.16 -3.33 0.00 0.00 175.10 171.61 2qgw s PRO 535 N 0.88 4.44 -0.08 1.54 0.04 -1.26 -4.70 135.00 135.87 2qgw s PRO 535 Ca -0.05 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2qgw s PRO 535 Cb -0.06 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 2qgw s PRO 535 CO -0.07 -0.26 0.27 -0.51 0.04 0.00 0.00 177.00 176.47 2qgw s LEU 536 N 1.56 4.40 0.93 -3.56 1.43 -1.26 -4.98 118.68 117.20 2qgw s LEU 536 Ca 0.54 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 54.20 2qgw s LEU 536 Cb -0.23 -2.32 0.14 0.00 0.03 0.00 0.00 46.19 43.80 2qgw s LEU 536 CO 0.24 0.32 1.06 -1.54 0.23 0.00 0.00 176.35 176.67 2qgw n SER 537 N 2.20 0.03 -0.11 2.29 3.41 -1.26 -4.69 113.62 115.49 2qgw n SER 537 Ca -0.16 0.40 -0.02 0.00 -0.26 0.00 0.00 58.87 58.83 2qgw n SER 537 Cb 0.53 -1.44 0.22 0.00 -0.26 0.00 0.00 64.21 63.26 2qgw n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qgw h ASP 538 N -1.89 0.72 0.08 4.04 3.32 -1.98 0.11 116.42 120.81 2qgw h ASP 538 Ca -0.43 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.51 2qgw h ASP 538 Cb 1.27 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2qgw h ASP 538 CO 0.40 0.70 -0.12 0.25 -1.72 0.00 0.00 179.24 178.76 2qgw h LEU 539 N 0.75 -0.33 -0.55 1.55 5.85 -1.99 -0.73 115.31 119.86 2qgw h LEU 539 Ca 0.17 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2qgw h LEU 539 Cb 0.27 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2qgw h LEU 539 CO -0.00 -0.18 0.23 0.25 -0.34 0.00 0.00 178.44 178.40 2qgw h LEU 540 N -0.24 0.75 -0.87 2.25 5.85 -1.75 0.06 115.31 121.35 2qgw h LEU 540 Ca 0.02 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.68 2qgw h LEU 540 Cb 0.26 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2qgw h LEU 540 CO -0.06 0.70 0.51 -0.07 -0.34 0.00 0.00 178.44 179.18 2qgw h LEU 541 N 0.74 0.74 -0.16 2.25 -0.00 -0.86 0.23 115.31 118.26 2qgw h LEU 541 Ca 0.18 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 58.07 2qgw h LEU 541 Cb 0.18 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2qgw h LEU 541 CO -0.02 0.41 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.44 2qgw h GLU 542 N 0.85 0.33 -0.32 1.13 5.08 -0.18 -0.12 114.58 121.35 2qgw h GLU 542 Ca 0.43 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 2qgw h GLU 542 Cb 0.40 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2qgw h GLU 542 CO -0.25 0.63 0.07 0.52 -1.00 0.00 0.00 179.01 178.98 2qgw h MET 543 N 0.02 0.19 -0.26 2.33 2.86 -0.63 -1.73 114.93 117.71 2qgw h MET 543 Ca 0.04 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2qgw h MET 543 Cb 0.52 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2qgw h MET 543 CO 0.02 0.12 0.05 1.25 1.06 0.00 0.00 176.91 179.41 2qgw h LEU 544 N 0.19 0.41 -2.44 1.22 5.85 -0.54 -2.79 115.31 117.22 2qgw h LEU 544 Ca 0.15 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2qgw h LEU 544 Cb 0.15 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2qgw h LEU 544 CO -0.19 0.56 0.00 0.44 -0.34 0.00 0.00 178.44 178.91 2qgw h ASP 545 N 0.25 0.00 0.22 1.25 5.19 -0.83 -2.09 116.42 120.41 2qgw h ASP 545 Ca 0.08 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2qgw h ASP 545 Cb 0.32 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2qgw h ASP 545 CO 0.00 0.00 -0.06 0.00 -3.12 0.00 0.00 179.24 176.06 2qgw h ALA 546 N 2.01 1.35 -0.04 3.45 0.00 -1.02 -2.76 119.26 122.24 2qgw h ALA 546 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qgw h ALA 546 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qgw h ALA 546 CO 0.00 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.05 2qgw n HIS 547 N -3.67 0.02 -0.96 0.00 8.25 -0.79 -3.59 115.22 114.49 2qgw n HIS 547 Ca -0.02 -0.01 0.09 0.00 -0.26 0.00 0.00 57.72 57.51 2qgw n HIS 547 Cb 0.17 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.50 2qgw n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qgw n ARG 548 N 0.60 2.51 0.00 -0.41 5.12 -1.04 -5.15 116.66 118.29 2qgw n ARG 548 Ca 0.17 -2.72 0.00 0.00 -1.93 0.00 0.00 57.85 53.37 2qgw n ARG 548 Cb 0.44 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 2qgw n ARG 548 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59