#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qku s SER 305 N 0.00 4.89 0.65 6.41 0.15 -1.26 -4.95 113.70 119.59 1qku s SER 305 Ca 0.00 -0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.34 1qku s SER 305 Cb 0.00 -1.06 0.54 0.00 -1.71 0.00 0.00 66.02 63.79 1qku s SER 305 CO 0.00 0.04 1.28 0.17 1.20 0.00 0.00 173.24 175.93 1qku h LEU 306 N 2.22 0.00 -0.87 3.45 8.10 -2.03 0.67 115.31 126.85 1qku h LEU 306 Ca -0.46 0.00 0.22 0.00 0.11 0.00 0.00 57.88 57.75 1qku h LEU 306 Cb 1.22 0.00 -0.15 0.00 -0.44 0.00 0.00 40.66 41.30 1qku h LEU 306 CO 0.60 0.00 0.13 0.00 -4.11 0.00 0.00 178.44 175.05 1qku h ALA 307 N 0.42 1.11 -0.34 0.17 0.00 -1.92 -1.79 119.26 116.92 1qku h ALA 307 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1qku h ALA 307 Cb 1.79 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1qku h ALA 307 CO -0.00 -0.48 0.00 1.47 0.00 0.00 0.00 179.25 180.24 1qku n LEU 308 N -5.32 2.95 -0.64 0.00 -0.00 0.23 -4.47 117.00 109.75 1qku n LEU 308 Ca 0.20 -2.04 0.06 0.00 -0.00 0.00 0.00 56.01 54.22 1qku n LEU 308 Cb 0.64 -0.24 0.15 0.00 -0.00 0.00 0.00 43.42 43.97 1qku n LEU 308 CO 0.03 0.72 0.61 -1.54 -0.00 0.00 0.00 177.39 177.22 1qku n SER 309 N 0.45 2.85 -4.83 1.45 3.41 -0.69 -4.96 113.62 111.30 1qku n SER 309 Ca 0.12 -1.95 -0.35 0.00 -0.26 0.00 0.00 58.87 56.43 1qku n SER 309 Cb 0.44 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1qku n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qku s LEU 310 N -1.00 4.23 0.53 1.04 1.43 -1.09 -5.02 118.68 118.81 1qku s LEU 310 Ca 0.23 1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 54.53 1qku s LEU 310 Cb 0.12 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1qku s LEU 310 CO 0.16 -0.06 1.02 0.42 0.23 0.00 0.00 176.35 178.12 1qku s THR 311 N -1.70 4.03 0.58 5.49 -4.23 -1.26 -4.81 115.64 113.73 1qku s THR 311 Ca 0.47 1.08 0.30 0.00 -1.18 0.00 0.00 61.69 62.37 1qku s THR 311 Cb -0.14 -3.50 0.42 0.00 1.34 0.00 0.00 72.50 70.61 1qku s THR 311 CO 0.20 -0.45 1.79 0.00 -0.54 0.00 0.00 174.62 175.62 1qku h ALA 312 N 1.04 2.49 0.04 3.99 0.00 -1.96 -0.66 119.26 124.19 1qku h ALA 312 Ca -0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1qku h ALA 312 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qku h ALA 312 CO 0.59 -1.01 -0.32 -0.44 0.00 0.00 0.00 179.25 178.07 1qku h ASP 313 N 0.00 0.13 -0.74 0.00 3.32 -1.95 -3.24 116.42 113.93 1qku h ASP 313 Ca 0.32 -0.96 0.09 0.00 0.02 0.00 0.00 57.03 56.50 1qku h ASP 313 Cb 1.64 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 41.08 1qku h ASP 313 CO -0.00 1.14 0.40 1.56 -1.72 0.00 0.00 179.24 180.62 1qku h GLN 314 N -0.82 0.66 -0.75 3.56 4.20 -1.60 0.14 115.11 120.50 1qku h GLN 314 Ca -0.06 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.76 1qku h GLN 314 Cb 1.20 -0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.69 1qku h GLN 314 CO 0.03 0.44 -0.20 1.98 -0.67 0.00 0.00 178.83 180.41 1qku h MET 315 N 0.68 -0.01 0.00 1.46 4.05 -1.27 0.14 114.93 120.00 1qku h MET 315 Ca 0.36 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1qku h MET 315 Cb 0.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1qku h MET 315 CO -0.24 -0.00 0.00 0.28 0.23 0.00 0.00 176.91 177.17 1qku n VAL 316 N -5.50 0.00 0.17 -5.77 0.31 -0.03 -2.05 118.33 105.46 1qku n VAL 316 Ca 0.10 1.40 0.06 0.00 -0.01 0.00 0.00 64.34 65.89 1qku n VAL 316 Cb 0.38 -2.40 0.30 0.00 -0.91 0.00 0.00 33.84 31.22 1qku n VAL 316 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qku n SER 317 N -1.98 0.29 0.01 4.52 3.41 -0.78 0.43 113.62 119.52 1qku n SER 317 Ca 0.00 0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 59.10 1qku n SER 317 Cb 0.00 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1qku n SER 317 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qku h ALA 318 N 1.00 -0.12 -0.11 7.33 0.00 -0.55 -1.90 119.26 124.90 1qku h ALA 318 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qku h ALA 318 Cb 0.75 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1qku h ALA 318 CO 0.00 -0.12 0.02 -0.07 0.00 0.00 0.00 179.25 179.09 1qku h LEU 319 N -0.83 0.13 -0.22 0.00 3.38 -0.01 0.80 115.31 118.56 1qku h LEU 319 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1qku h LEU 319 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1qku h LEU 319 CO 0.02 0.14 -0.39 0.25 0.09 0.00 0.00 178.44 178.55 1qku h LEU 320 N 0.15 0.72 -0.93 1.67 5.85 -0.14 -2.48 115.31 120.15 1qku h LEU 320 Ca 0.04 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 1qku h LEU 320 Cb 0.07 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1qku h LEU 320 CO -0.00 1.12 -0.48 -0.78 -0.34 0.00 0.00 178.44 177.96 1qku h ASP 321 N 0.35 0.00 -0.46 1.25 -0.00 -0.78 -3.12 116.42 113.66 1qku h ASP 321 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.98 1qku h ASP 321 Cb 0.99 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.30 1qku h ASP 321 CO 0.09 0.48 0.09 0.00 -0.00 0.00 0.00 179.24 179.90 1qku h ALA 322 N 1.52 1.18 -0.67 -0.78 0.00 -0.63 -3.46 119.26 116.42 1qku h ALA 322 Ca -0.00 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.20 1qku h ALA 322 Cb 0.94 -0.21 0.06 0.00 0.00 0.00 0.00 17.79 18.57 1qku h ALA 322 CO 0.06 0.55 -0.19 0.39 0.00 0.00 0.00 179.25 180.06 1qku n GLU 323 N -4.26 0.00 -2.11 0.00 -0.58 -0.95 -4.81 120.64 107.94 1qku n GLU 323 Ca 0.03 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.51 1qku n GLU 323 Cb 0.25 -0.80 0.08 0.00 -0.57 0.00 0.00 31.44 30.39 1qku n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qku s PRO 324 N -0.39 2.10 0.67 3.49 0.04 -1.26 -5.07 135.00 134.57 1qku s PRO 324 Ca 0.50 -0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.28 1qku s PRO 324 Cb -0.71 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 1qku s PRO 324 CO 0.38 -1.37 1.05 -1.25 0.04 0.00 0.00 177.00 175.85 1qku s PRO 325 N -5.36 3.19 -1.00 0.56 0.04 -1.26 -4.97 135.00 126.20 1qku s PRO 325 Ca 0.61 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 1qku s PRO 325 Cb -0.11 -2.03 0.31 0.00 0.04 0.00 0.00 34.50 32.71 1qku s PRO 325 CO 0.46 -0.87 1.51 -0.89 0.04 0.00 0.00 177.00 177.25 1qku n ILE 326 N -2.95 5.24 -1.74 0.56 5.41 -1.26 -5.02 119.36 119.59 1qku n ILE 326 Ca 0.07 -5.88 -0.67 0.00 1.00 0.00 0.00 62.75 57.27 1qku n ILE 326 Cb 0.54 -1.87 -0.10 0.00 -0.71 0.00 0.00 39.64 37.50 1qku n ILE 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qku n LEU 327 N 0.75 1.35 -4.53 1.39 -0.00 -1.26 -4.83 117.00 109.87 1qku n LEU 327 Ca 0.33 1.17 -0.29 0.00 -0.00 0.00 0.00 56.01 57.23 1qku n LEU 327 Cb 0.32 -0.92 0.23 0.00 -0.00 0.00 0.00 43.42 43.06 1qku n LEU 327 CO 0.62 -0.80 0.55 -0.31 -0.00 0.00 0.00 177.39 177.45 1qku s TYR 328 N 3.04 1.49 0.00 1.47 1.51 -1.26 -4.91 117.35 118.70 1qku s TYR 328 Ca 1.04 1.19 0.00 0.00 -1.01 0.00 0.00 57.07 58.29 1qku s TYR 328 Cb -1.44 -3.14 0.00 0.00 -0.11 0.00 0.00 41.96 37.27 1qku s TYR 328 CO 0.80 -3.65 0.00 -1.13 -1.11 0.00 0.00 175.55 170.45 1qku n SER 329 N -4.76 0.00 -1.93 2.29 3.41 -1.26 -5.06 113.62 106.31 1qku n SER 329 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.61 1qku n SER 329 Cb 0.55 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1qku n SER 329 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1qku n GLU 330 N 0.00 0.76 -1.29 4.33 -0.00 -1.26 -5.09 120.64 118.08 1qku n GLU 330 Ca 0.00 -1.19 -0.33 0.00 -0.00 0.00 0.00 57.16 55.64 1qku n GLU 330 Cb 0.00 0.40 0.10 0.00 -0.00 0.00 0.00 31.44 31.94 1qku n GLU 330 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1qku s TYR 331 N -0.03 2.18 -0.19 -1.84 -0.00 -1.26 -5.03 117.35 111.19 1qku s TYR 331 Ca 0.06 1.63 -0.01 0.00 -0.00 0.00 0.00 57.07 58.74 1qku s TYR 331 Cb 0.25 -3.29 -0.00 0.00 -0.00 0.00 0.00 41.96 38.92 1qku s TYR 331 CO -0.07 -2.28 -0.11 0.16 -0.00 0.00 0.00 175.55 173.24 1qku s ASP 332 N -2.59 3.87 0.24 -0.18 1.47 -1.26 -4.96 116.67 113.26 1qku s ASP 332 Ca 0.68 -0.46 0.15 0.00 1.18 0.00 0.00 52.55 54.10 1qku s ASP 332 Cb -0.23 -1.63 0.03 0.00 -0.34 0.00 0.00 42.92 40.75 1qku s ASP 332 CO 0.50 0.03 1.35 1.55 0.68 0.00 0.00 175.17 179.28 1qku h PRO 333 N 7.73 0.00 0.00 2.11 0.13 -1.99 -3.39 132.00 136.59 1qku h PRO 333 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1qku h PRO 333 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qku h PRO 333 CO 0.60 0.49 0.00 0.25 -0.23 0.00 0.00 178.00 179.11 1qku n THR 334 N -3.18 0.00 -1.95 1.56 -2.24 -1.26 -4.49 114.28 102.72 1qku n THR 334 Ca 0.00 0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 62.28 1qku n THR 334 Cb 0.76 -1.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.04 1qku n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qku s ARG 335 N -0.85 3.86 0.97 -0.78 0.52 -1.26 -4.94 118.95 116.46 1qku s ARG 335 Ca 0.00 1.99 -0.14 0.00 -0.52 0.00 0.00 55.73 57.06 1qku s ARG 335 Cb 0.00 -4.09 -0.01 0.00 0.52 0.00 0.00 34.95 31.38 1qku s ARG 335 CO 0.00 -1.23 0.10 -0.35 0.02 0.00 0.00 175.30 173.84 1qku n PRO 336 N 7.65 -0.25 -2.07 3.54 -0.04 -1.26 -4.81 135.00 137.77 1qku n PRO 336 Ca 0.20 -0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 63.26 1qku n PRO 336 Cb 0.44 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 1qku n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1qku s PHE 337 N -2.30 1.73 0.27 0.54 2.99 -1.26 -4.89 117.98 115.06 1qku s PHE 337 Ca 0.53 0.70 -0.12 0.00 0.00 0.00 0.00 56.93 58.03 1qku s PHE 337 Cb -0.20 -4.10 -0.08 0.00 0.00 0.00 0.00 43.02 38.64 1qku s PHE 337 CO 0.71 -2.15 0.64 0.45 -0.00 0.00 0.00 175.22 174.87 1qku s SER 338 N 7.90 6.71 0.19 1.36 0.15 -1.26 -4.85 113.70 123.90 1qku s SER 338 Ca 0.67 1.11 -0.19 0.00 0.70 0.00 0.00 55.95 58.23 1qku s SER 338 Cb -0.11 -2.30 0.15 0.00 -1.71 0.00 0.00 66.02 62.05 1qku s SER 338 CO 0.14 -0.14 1.40 1.21 1.20 0.00 0.00 173.24 177.06 1qku n GLU 339 N -0.23 -0.26 0.08 5.44 2.13 -1.18 -0.41 120.64 126.22 1qku n GLU 339 Ca 0.02 1.39 -0.13 0.00 0.66 0.00 0.00 57.16 59.10 1qku n GLU 339 Cb 0.53 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 30.10 1qku n GLU 339 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qku h ALA 340 N 1.06 -0.15 -0.78 4.31 0.00 -1.87 -2.69 119.26 119.14 1qku h ALA 340 Ca 0.27 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1qku h ALA 340 Cb 0.50 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 1qku h ALA 340 CO -0.89 -0.51 -0.36 1.03 0.00 0.00 0.00 179.25 178.53 1qku h SER 341 N -0.30 -1.28 -0.19 0.00 0.87 -1.08 0.11 113.55 111.69 1qku h SER 341 Ca -0.02 0.27 -0.16 0.00 -1.23 0.00 0.00 61.79 60.65 1qku h SER 341 Cb 0.25 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1qku h SER 341 CO 0.02 -0.30 -0.52 -0.03 -0.53 0.00 0.00 176.83 175.48 1qku h MET 342 N -0.09 0.68 -0.00 2.24 1.85 -1.37 -0.76 114.93 117.48 1qku h MET 342 Ca 0.29 -0.48 0.03 0.00 -0.61 0.00 0.00 59.70 58.93 1qku h MET 342 Cb 0.57 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.63 1qku h MET 342 CO -0.82 1.10 -0.36 0.52 -0.40 0.00 0.00 176.91 176.95 1qku h MET 343 N 0.38 -0.50 -0.74 0.39 2.07 -1.03 0.62 114.93 116.11 1qku h MET 343 Ca -0.01 0.03 0.07 0.00 -2.07 0.00 0.00 59.70 57.72 1qku h MET 343 Cb 1.14 0.11 -0.06 0.00 -1.87 0.00 0.00 31.60 30.92 1qku h MET 343 CO 0.11 -0.33 0.43 0.78 1.07 0.00 0.00 176.91 178.97 1qku h GLY 344 N -0.52 1.10 0.75 8.32 0.00 -0.81 0.37 103.07 112.29 1qku h GLY 344 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1qku h GLY 344 CO -0.29 0.18 0.23 -2.00 0.00 0.00 0.00 176.54 174.66 1qku h LEU 345 N 0.77 0.33 0.45 3.11 7.12 0.31 -0.76 115.31 126.65 1qku h LEU 345 Ca 0.33 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.35 1qku h LEU 345 Cb 0.21 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1qku h LEU 345 CO -0.19 0.23 -0.22 -0.07 -0.13 0.00 0.00 178.44 178.06 1qku h LEU 346 N 0.46 -0.52 -1.89 2.25 3.38 0.11 -2.91 115.31 116.19 1qku h LEU 346 Ca 0.20 -0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.37 1qku h LEU 346 Cb 0.11 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1qku h LEU 346 CO -0.14 -0.09 0.65 0.71 0.09 0.00 0.00 178.44 179.66 1qku h THR 347 N -1.13 0.39 0.03 0.22 1.35 -0.30 0.62 112.91 114.09 1qku h THR 347 Ca -0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1qku h THR 347 Cb 0.50 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1qku h THR 347 CO 0.10 0.00 -0.01 -1.13 -0.25 0.00 0.00 175.52 174.23 1qku h ASN 348 N 0.00 -0.03 -0.52 5.36 -1.24 -1.13 0.11 115.58 118.13 1qku h ASN 348 Ca 0.35 -0.45 0.02 0.00 0.71 0.00 0.00 56.30 56.94 1qku h ASN 348 Cb 1.65 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 40.68 1qku h ASN 348 CO -0.00 0.44 0.32 0.25 -1.29 0.00 0.00 177.43 177.15 1qku h LEU 349 N -0.50 0.53 0.51 0.34 5.85 0.22 -1.93 115.31 120.34 1qku h LEU 349 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1qku h LEU 349 Cb 0.47 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1qku h LEU 349 CO 0.01 0.38 -0.46 0.00 -0.34 0.00 0.00 178.44 178.03 1qku h ALA 350 N 1.22 -1.15 -0.65 1.25 0.00 -0.27 0.22 119.26 119.89 1qku h ALA 350 Ca 0.21 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1qku h ALA 350 Cb -0.01 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 1qku h ALA 350 CO -0.08 -1.16 0.03 0.22 0.00 0.00 0.00 179.25 178.26 1qku h ASP 351 N -0.95 -0.24 0.42 0.00 1.82 -0.62 0.10 116.42 116.95 1qku h ASP 351 Ca -0.07 0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1qku h ASP 351 Cb 0.81 0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1qku h ASP 351 CO -0.02 -0.11 -0.20 0.03 -1.61 0.00 0.00 179.24 177.33 1qku h ARG 352 N 0.14 -0.54 -1.03 0.28 3.08 -1.11 -2.75 114.38 112.45 1qku h ARG 352 Ca 0.34 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.70 1qku h ARG 352 Cb 0.57 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.66 1qku h ARG 352 CO -0.54 -0.24 0.68 1.49 -1.07 0.00 0.00 179.97 180.29 1qku h GLU 353 N -0.84 0.31 0.00 0.04 4.81 -0.09 0.73 114.58 119.55 1qku h GLU 353 Ca -0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1qku h GLU 353 Cb 0.55 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1qku h GLU 353 CO 0.09 0.21 -0.02 1.25 -0.73 0.00 0.00 179.01 179.81 1qku h LEU 354 N 0.32 0.00 -0.25 1.64 5.85 -0.50 -1.52 115.31 120.85 1qku h LEU 354 Ca 0.56 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 59.07 1qku h LEU 354 Cb 1.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1qku h LEU 354 CO -0.22 0.02 -0.88 0.58 -0.34 0.00 0.00 178.44 177.61 1qku h VAL 355 N 0.00 1.41 0.01 1.05 2.07 0.55 -3.05 116.25 118.28 1qku h VAL 355 Ca -0.00 -2.39 -0.20 0.00 0.82 0.00 0.00 66.70 64.93 1qku h VAL 355 Cb 0.13 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1qku h VAL 355 CO 0.00 0.71 -0.95 0.45 0.02 0.00 0.00 177.57 177.80 1qku h HIS 356 N 0.23 0.05 -0.94 1.57 3.86 -1.35 -3.21 115.15 115.35 1qku h HIS 356 Ca -0.06 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1qku h HIS 356 Cb 1.49 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.91 1qku h HIS 356 CO 0.05 0.96 0.62 1.98 0.86 0.00 0.00 177.93 182.40 1qku h MET 357 N 0.01 1.22 -0.05 2.45 -1.53 -1.36 0.15 114.93 115.82 1qku h MET 357 Ca -0.02 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.19 1qku h MET 357 Cb 1.67 -0.28 -0.02 0.00 -0.55 0.00 0.00 31.60 32.42 1qku h MET 357 CO 0.13 0.81 -0.07 0.82 0.14 0.00 0.00 176.91 178.73 1qku h ILE 358 N 1.26 0.79 -0.81 1.77 2.04 -1.54 0.80 117.51 121.82 1qku h ILE 358 Ca 0.35 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.19 1qku h ILE 358 Cb -0.12 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1qku h ILE 358 CO -0.08 0.00 0.41 0.78 0.00 0.00 0.00 178.15 179.25 1qku h ASN 359 N -0.10 1.04 0.09 1.72 -0.26 -1.50 -2.52 115.58 114.04 1qku h ASN 359 Ca 0.05 -0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1qku h ASN 359 Cb 0.17 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 1qku h ASN 359 CO -0.12 0.86 -0.22 -0.25 -1.06 0.00 0.00 177.43 176.65 1qku h TRP 360 N 1.15 -0.58 -0.84 1.19 7.01 0.01 -2.69 115.95 121.19 1qku h TRP 360 Ca 0.28 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.44 1qku h TRP 360 Cb 0.08 0.24 -0.15 0.00 -2.10 0.00 0.00 29.16 27.24 1qku h TRP 360 CO 0.01 -0.31 -0.34 0.00 -2.79 0.00 0.00 178.44 175.01 1qku h ALA 361 N 0.41 0.18 -1.00 2.65 0.00 -0.42 0.16 119.26 121.23 1qku h ALA 361 Ca 0.03 0.25 0.23 0.00 0.00 0.00 0.00 54.91 55.43 1qku h ALA 361 Cb 0.43 0.87 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1qku h ALA 361 CO -0.14 -0.60 0.64 0.87 0.00 0.00 0.00 179.25 180.02 1qku h LYS 362 N -0.05 0.48 0.00 0.00 6.56 -1.33 -0.50 116.57 121.73 1qku h LYS 362 Ca 0.33 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 1qku h LYS 362 Cb 0.59 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1qku h LYS 362 CO -0.87 0.32 -0.03 0.00 -2.06 0.00 0.00 179.45 176.80 1qku h ARG 363 N 0.50 0.00 -6.93 3.15 3.08 -0.66 -3.41 114.38 110.10 1qku h ARG 363 Ca 0.57 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.09 1qku h ARG 363 Cb 1.28 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.42 1qku h ARG 363 CO -0.31 0.03 0.67 0.08 -1.07 0.00 0.00 179.97 179.38 1qku s VAL 364 N -3.40 2.43 0.40 2.04 1.01 -0.20 -4.87 120.40 117.81 1qku s VAL 364 Ca 0.04 0.41 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 1qku s VAL 364 Cb 0.07 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1qku s VAL 364 CO 0.62 0.08 1.33 -2.84 0.00 0.00 0.00 175.10 174.29 1qku s PRO 365 N -2.11 4.00 0.00 2.72 0.02 -1.26 -2.92 135.00 135.45 1qku s PRO 365 Ca 0.54 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1qku s PRO 365 Cb -0.41 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1qku s PRO 365 CO 0.55 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 1qku n GLY 366 N 0.66 2.10 0.18 0.52 0.00 -1.26 -4.84 105.19 102.54 1qku n GLY 366 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1qku n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qku h PHE 367 N 0.00 0.55 0.00 1.61 3.57 -1.85 -2.49 116.94 118.33 1qku h PHE 367 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1qku h PHE 367 Cb 0.00 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1qku h PHE 367 CO 0.00 0.54 0.00 1.33 -2.23 0.00 0.00 178.31 177.95 1qku n VAL 368 N -4.66 0.29 0.55 1.41 0.24 -1.26 -2.60 118.33 112.30 1qku n VAL 368 Ca -0.01 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1qku n VAL 368 Cb 0.17 -0.69 0.44 0.00 -1.47 0.00 0.00 33.84 32.30 1qku n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1qku n ASP 369 N -1.32 0.74 -4.16 -1.34 8.00 -0.94 -4.78 116.55 112.76 1qku n ASP 369 Ca 0.10 0.61 -0.29 0.00 0.71 0.00 0.00 54.79 55.92 1qku n ASP 369 Cb 0.20 -0.79 0.18 0.00 -0.02 0.00 0.00 41.12 40.69 1qku n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qku s LEU 370 N -4.48 2.74 0.18 0.64 1.43 -1.07 -5.04 118.68 113.08 1qku s LEU 370 Ca 0.08 0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.20 1qku s LEU 370 Cb 0.11 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 1qku s LEU 370 CO 0.52 -2.69 0.68 0.42 0.23 0.00 0.00 176.35 175.51 1qku s THR 371 N -3.85 4.61 0.19 5.49 -4.23 -1.26 -4.89 115.64 111.70 1qku s THR 371 Ca 0.74 1.26 -0.24 0.00 -1.18 0.00 0.00 61.69 62.27 1qku s THR 371 Cb -0.04 -3.88 0.07 0.00 1.34 0.00 0.00 72.50 69.99 1qku s THR 371 CO 0.52 0.31 1.55 -0.07 -0.54 0.00 0.00 174.62 176.40 1qku h LEU 372 N 3.73 -1.70 -1.19 4.79 3.38 -1.95 0.57 115.31 122.94 1qku h LEU 372 Ca -0.48 0.30 0.15 0.00 0.09 0.00 0.00 57.88 57.94 1qku h LEU 372 Cb 1.20 0.80 -0.08 0.00 0.09 0.00 0.00 40.66 42.67 1qku h LEU 372 CO 0.65 -0.29 0.60 0.45 0.09 0.00 0.00 178.44 179.94 1qku h HIS 373 N -0.07 0.92 0.00 1.13 3.86 -2.00 0.78 115.15 119.77 1qku h HIS 373 Ca 0.23 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1qku h HIS 373 Cb 0.53 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1qku h HIS 373 CO -0.88 0.32 -0.37 -0.44 0.86 0.00 0.00 177.93 177.42 1qku h ASP 374 N 0.76 0.00 -0.20 2.45 3.32 -0.30 -0.82 116.42 121.62 1qku h ASP 374 Ca 0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.44 1qku h ASP 374 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1qku h ASP 374 CO -0.24 0.37 -0.23 1.56 -1.72 0.00 0.00 179.24 178.98 1qku h GLN 375 N 0.00 0.50 -0.47 3.56 4.20 0.81 -2.05 115.11 121.67 1qku h GLN 375 Ca -0.00 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1qku h GLN 375 Cb 0.84 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1qku h GLN 375 CO 0.05 0.86 0.29 0.28 -0.67 0.00 0.00 178.83 179.64 1qku h VAL 376 N 0.17 1.14 0.02 -0.54 2.07 -1.08 0.19 116.25 118.23 1qku h VAL 376 Ca 0.03 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1qku h VAL 376 Cb 0.79 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1qku h VAL 376 CO 0.06 0.14 -0.43 -0.74 0.02 0.00 0.00 177.57 176.61 1qku h HIS 377 N 0.62 -1.22 0.02 1.57 6.17 -1.03 0.30 115.15 121.58 1qku h HIS 377 Ca 0.17 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.32 1qku h HIS 377 Cb -0.03 0.53 -0.05 0.00 2.52 0.00 0.00 27.41 30.39 1qku h HIS 377 CO -0.03 -0.51 -0.32 -0.07 0.71 0.00 0.00 177.93 177.71 1qku h LEU 378 N -0.60 -0.96 -0.22 0.26 3.38 -1.11 0.15 115.31 116.22 1qku h LEU 378 Ca 0.04 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1qku h LEU 378 Cb 0.66 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1qku h LEU 378 CO -0.31 -0.39 -0.49 -0.07 0.09 0.00 0.00 178.44 177.28 1qku h LEU 379 N -0.48 -1.56 0.00 1.67 3.38 -0.40 -0.69 115.31 117.22 1qku h LEU 379 Ca 0.06 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1qku h LEU 379 Cb 0.56 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1qku h LEU 379 CO -0.26 -0.44 0.00 -1.84 0.09 0.00 0.00 178.44 175.99 1qku n GLU 380 N -5.43 0.22 0.07 1.13 0.28 0.10 -0.92 120.64 116.10 1qku n GLU 380 Ca -0.04 0.09 0.11 0.00 -0.16 0.00 0.00 57.16 57.16 1qku n GLU 380 Cb 0.37 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.74 1qku n GLU 380 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qku n ALA 382 N -2.08 1.84 -0.31 0.00 0.00 -0.65 -4.81 120.51 114.50 1qku n ALA 382 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.32 1qku n ALA 382 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.08 1qku n ALA 382 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1qku n TRP 383 N -0.48 0.29 -0.05 0.00 4.27 -0.09 0.11 117.44 121.48 1qku n TRP 383 Ca 0.00 1.06 -0.08 0.00 -3.89 0.00 0.00 57.50 54.60 1qku n TRP 383 Cb 0.02 -0.99 0.09 0.00 -1.36 0.00 0.00 31.31 29.07 1qku n TRP 383 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1qku h LEU 384 N 0.00 0.70 -0.79 5.67 5.85 -1.88 0.34 115.31 125.20 1qku h LEU 384 Ca 0.41 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1qku h LEU 384 Cb 0.63 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1qku h LEU 384 CO -0.89 0.97 0.44 -0.33 -0.34 0.00 0.00 178.44 178.28 1qku h GLU 385 N 0.57 1.09 -0.20 1.25 5.08 -0.68 -1.70 114.58 120.00 1qku h GLU 385 Ca 0.07 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1qku h GLU 385 Cb 0.82 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1qku h GLU 385 CO 0.07 0.80 -0.04 0.82 -1.00 0.00 0.00 179.01 179.66 1qku h ILE 386 N 1.09 1.28 -0.67 3.13 2.04 -0.73 -1.30 117.51 122.35 1qku h ILE 386 Ca 0.28 -1.00 0.15 0.00 1.00 0.00 0.00 64.86 65.29 1qku h ILE 386 Cb 0.02 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1qku h ILE 386 CO -0.05 0.30 0.46 -0.07 0.00 0.00 0.00 178.15 178.80 1qku h LEU 387 N 0.10 0.26 0.18 1.44 3.38 -0.57 -2.65 115.31 117.45 1qku h LEU 387 Ca 0.05 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 1qku h LEU 387 Cb 0.47 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.20 1qku h LEU 387 CO 0.02 0.14 -1.51 0.24 0.09 0.00 0.00 178.44 177.42 1qku h MET 388 N 0.28 0.39 0.00 1.13 2.86 -1.06 -2.76 114.93 115.78 1qku h MET 388 Ca 0.33 -0.66 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1qku h MET 388 Cb 0.88 0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1qku h MET 388 CO -0.08 1.32 -0.01 0.97 1.06 0.00 0.00 176.91 180.17 1qku h ILE 389 N -0.03 0.03 0.17 -1.22 2.10 -0.99 -0.24 117.51 117.32 1qku h ILE 389 Ca -0.29 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.42 1qku h ILE 389 Cb 1.99 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 1qku h ILE 389 CO 0.17 0.01 -0.08 1.23 -1.08 0.00 0.00 178.15 178.39 1qku h GLY 390 N 0.81 -0.24 -0.65 8.18 0.00 -1.55 -2.89 103.07 106.72 1qku h GLY 390 Ca -0.00 0.09 0.17 0.00 0.00 0.00 0.00 47.33 47.59 1qku h GLY 390 CO 0.00 -0.09 -0.19 -2.00 0.00 0.00 0.00 176.54 174.27 1qku h LEU 391 N -1.06 -0.74 -1.25 3.11 5.85 -1.10 0.71 115.31 120.83 1qku h LEU 391 Ca -0.02 0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1qku h LEU 391 Cb 0.19 0.50 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1qku h LEU 391 CO 0.04 -0.27 0.53 0.58 -0.34 0.00 0.00 178.44 178.97 1qku h VAL 392 N 0.01 1.11 0.09 1.05 2.07 -1.18 -0.14 116.25 119.26 1qku h VAL 392 Ca 0.41 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1qku h VAL 392 Cb 0.63 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1qku h VAL 392 CO -0.85 0.18 -0.04 -0.25 0.02 0.00 0.00 177.57 176.63 1qku h TRP 393 N 0.97 -0.11 -0.51 1.57 2.91 0.56 -2.44 115.95 118.90 1qku h TRP 393 Ca 0.32 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.39 1qku h TRP 393 Cb 0.07 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.73 1qku h TRP 393 CO -0.00 0.19 0.34 0.00 -1.03 0.00 0.00 178.44 177.94 1qku h ARG 394 N -0.41 0.50 -0.00 2.65 3.08 -0.55 -1.96 114.38 117.70 1qku h ARG 394 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1qku h ARG 394 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1qku h ARG 394 CO 0.02 0.33 -0.05 0.43 -1.07 0.00 0.00 179.97 179.63 1qku n SER 395 N -4.47 0.35 -0.26 7.04 7.64 -0.11 -4.46 113.62 119.35 1qku n SER 395 Ca 0.06 -0.66 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 1qku n SER 395 Cb 0.19 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 1qku n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1qku h MET 396 N 0.47 -0.08 0.00 1.43 2.86 -0.86 -2.41 114.93 116.34 1qku h MET 396 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1qku h MET 396 Cb 0.27 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1qku h MET 396 CO 0.00 -0.05 0.00 0.93 1.06 0.00 0.00 176.91 178.85 1qku h GLU 397 N -0.08 0.00 -2.92 1.72 5.08 -1.82 -3.37 114.58 113.18 1qku h GLU 397 Ca 0.10 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.73 1qku h GLU 397 Cb 0.35 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.27 1qku h GLU 397 CO -0.64 0.00 0.23 0.72 -1.00 0.00 0.00 179.01 178.32 1qku n HIS 398 N -2.45 3.40 -1.52 4.33 8.25 -0.91 -5.06 115.22 121.27 1qku n HIS 398 Ca 0.02 -3.46 -0.40 0.00 -0.26 0.00 0.00 57.72 53.62 1qku n HIS 398 Cb 0.29 -1.12 0.02 0.00 1.12 0.00 0.00 29.99 30.30 1qku n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1qku n PRO 399 N 1.60 0.78 -0.91 -0.41 -0.04 -1.26 -1.71 135.00 133.05 1qku n PRO 399 Ca 0.26 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1qku n PRO 399 Cb 0.36 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1qku n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qku n GLY 400 N 1.58 0.46 3.08 0.55 0.00 -1.26 -4.97 105.19 104.62 1qku n GLY 400 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1qku n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qku s LYS 401 N -0.58 0.34 -0.30 1.61 1.02 -0.70 -3.54 119.74 117.60 1qku s LYS 401 Ca 0.00 -0.09 -0.09 0.00 0.02 0.00 0.00 55.97 55.80 1qku s LYS 401 Cb 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1qku s LYS 401 CO 0.00 -0.07 0.14 -0.51 -0.92 0.00 0.00 175.35 173.99 1qku s LEU 402 N -0.66 3.96 -1.33 3.17 1.43 0.17 -4.76 118.68 120.65 1qku s LEU 402 Ca -0.08 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 1qku s LEU 402 Cb -0.04 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.29 1qku s LEU 402 CO 0.01 -0.15 1.88 -0.11 0.23 0.00 0.00 176.35 178.21 1qku n LEU 403 N 4.97 6.06 0.08 1.79 0.00 -1.26 -2.52 117.00 126.11 1qku n LEU 403 Ca -0.14 -4.27 -0.13 0.00 0.00 0.00 0.00 56.01 51.47 1qku n LEU 403 Cb 0.50 -1.63 -0.06 0.00 0.00 0.00 0.00 43.42 42.23 1qku n LEU 403 CO 0.33 0.88 0.63 -0.26 0.00 0.00 0.00 177.39 178.97 1qku h PHE 404 N 6.51 -0.95 -3.89 1.96 -1.00 -1.88 -3.43 116.94 114.28 1qku h PHE 404 Ca 0.45 0.03 -0.23 0.00 2.81 0.00 0.00 57.97 61.03 1qku h PHE 404 Cb 0.73 0.41 -0.17 0.00 3.61 0.00 0.00 35.95 40.54 1qku h PHE 404 CO 1.34 -0.44 -0.71 0.00 -1.61 0.00 0.00 178.31 176.89 1qku s ALA 405 N -5.98 0.82 0.58 2.45 0.00 -0.46 -4.99 121.76 114.18 1qku s ALA 405 Ca -0.16 -1.17 0.28 0.00 0.00 0.00 0.00 51.96 50.91 1qku s ALA 405 Cb 0.09 0.14 1.76 0.00 0.00 0.00 0.00 23.12 25.10 1qku s ALA 405 CO 0.65 -0.19 2.24 -1.35 0.00 0.00 0.00 175.76 177.11 1qku h PRO 406 N 3.41 0.00 0.00 0.00 0.11 -1.88 -1.61 132.00 132.03 1qku h PRO 406 Ca -0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1qku h PRO 406 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1qku h PRO 406 CO 0.58 0.00 -1.65 0.27 -0.21 0.00 0.00 178.00 176.99 1qku n ASN 407 N -3.93 0.43 -4.19 -2.05 0.23 -1.26 -4.75 115.26 99.74 1qku n ASN 407 Ca -0.03 0.18 -0.37 0.00 -0.53 0.00 0.00 54.58 53.83 1qku n ASN 407 Cb 0.09 1.01 -0.12 0.00 -2.08 0.00 0.00 39.78 38.68 1qku n ASN 407 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1qku s LEU 408 N -5.18 4.82 -0.23 -4.53 2.96 -0.60 -4.98 118.68 110.94 1qku s LEU 408 Ca -0.05 -1.63 0.02 0.00 -0.22 0.00 0.00 54.13 52.25 1qku s LEU 408 Cb 0.10 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.99 1qku s LEU 408 CO 0.84 -0.45 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.07 1qku s LEU 409 N 1.27 2.89 0.28 -0.68 1.98 -1.25 -1.35 118.68 121.80 1qku s LEU 409 Ca 0.03 -1.11 0.08 0.00 -2.89 0.00 0.00 54.13 50.24 1qku s LEU 409 Cb -0.22 -1.48 -0.04 0.00 0.66 0.00 0.00 46.19 45.12 1qku s LEU 409 CO -0.01 -0.13 0.10 -0.76 -1.89 0.00 0.00 176.35 173.65 1qku s LEU 410 N 1.20 3.41 0.40 -0.68 1.43 -1.05 -4.98 118.68 118.41 1qku s LEU 410 Ca -0.04 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1qku s LEU 410 Cb -0.17 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1qku s LEU 410 CO -0.08 -0.08 0.08 1.51 0.23 0.00 0.00 176.35 178.01 1qku s ASP 411 N -3.77 2.91 0.50 2.29 3.84 -1.26 -0.65 116.67 120.53 1qku s ASP 411 Ca 0.33 -1.56 0.36 0.00 -0.00 0.00 0.00 52.55 51.68 1qku s ASP 411 Cb -0.06 0.28 1.51 0.00 -1.38 0.00 0.00 42.92 43.27 1qku s ASP 411 CO 0.22 -0.80 1.70 -0.09 -0.00 0.00 0.00 175.17 176.21 1qku h ARG 412 N 1.82 0.07 0.35 2.11 1.12 -1.97 -2.52 114.38 115.37 1qku h ARG 412 Ca -0.39 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.46 1qku h ARG 412 Cb 1.27 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1qku h ARG 412 CO 0.65 0.05 -0.17 -0.91 -3.11 0.00 0.00 179.97 176.48 1qku h ASN 413 N 0.08 -0.39 -1.11 -3.80 2.35 -1.95 -3.25 115.58 107.50 1qku h ASN 413 Ca 0.72 0.01 0.40 0.00 -0.55 0.00 0.00 56.30 56.88 1qku h ASN 413 Cb 2.61 0.10 -0.15 0.00 0.05 0.00 0.00 38.32 40.93 1qku h ASN 413 CO -0.15 0.05 0.65 1.56 -1.65 0.00 0.00 177.43 177.90 1qku h GLN 414 N -1.12 0.12 -0.97 0.81 7.50 -1.86 1.80 115.11 121.38 1qku h GLN 414 Ca -0.05 -0.01 0.21 0.00 0.50 0.00 0.00 58.65 59.30 1qku h GLN 414 Cb 0.36 -0.03 -0.09 0.00 0.05 0.00 0.00 27.48 27.78 1qku h GLN 414 CO 0.08 0.08 0.62 0.78 -1.50 0.00 0.00 178.83 178.88 1qku h GLY 415 N 0.12 1.29 2.00 3.46 0.00 -1.56 0.40 103.07 108.78 1qku h GLY 415 Ca 0.81 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1qku h GLY 415 CO -0.60 -0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.17 1qku n LYS 416 N -4.63 0.03 0.18 4.80 5.02 0.61 -2.09 118.16 122.09 1qku n LYS 416 Ca 0.22 0.38 0.14 0.00 -2.02 0.00 0.00 58.31 57.02 1qku n LYS 416 Cb 0.68 -1.57 0.60 0.00 -0.02 0.00 0.00 35.03 34.72 1qku n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qku s VAL 418 N -3.49 1.78 0.20 0.00 1.01 -0.89 -3.11 120.40 115.90 1qku s VAL 418 Ca 0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 1qku s VAL 418 Cb 0.09 -1.48 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 1qku s VAL 418 CO 0.40 0.50 1.56 -0.70 0.00 0.00 0.00 175.10 176.86 1qku s GLU 419 N -0.52 4.21 0.00 2.72 2.12 -1.26 -2.32 118.70 123.64 1qku s GLU 419 Ca 0.08 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.81 1qku s GLU 419 Cb -0.09 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1qku s GLU 419 CO -0.01 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1qku n GLY 420 N 3.35 1.38 0.37 -1.50 0.00 -1.26 -4.78 105.19 102.74 1qku n GLY 420 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1qku n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qku h MET 421 N 0.79 1.07 -0.02 1.61 -1.53 -1.69 -3.29 114.93 111.87 1qku h MET 421 Ca 0.00 -0.06 0.01 0.00 -3.44 0.00 0.00 59.70 56.20 1qku h MET 421 Cb 0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 30.79 1qku h MET 421 CO 0.00 0.71 -0.17 0.28 0.14 0.00 0.00 176.91 177.86 1qku h VAL 422 N 1.10 0.00 -0.98 -5.77 2.07 -1.71 -2.43 116.25 108.53 1qku h VAL 422 Ca 0.36 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.08 1qku h VAL 422 Cb 0.06 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 29.64 1qku h VAL 422 CO -0.12 0.00 -0.24 -0.62 0.02 0.00 0.00 177.57 176.61 1qku n GLU 423 N -3.48 -0.09 0.14 1.57 4.71 -1.24 -0.11 120.64 122.15 1qku n GLU 423 Ca -0.02 1.53 -0.13 0.00 -0.01 0.00 0.00 57.16 58.53 1qku n GLU 423 Cb 0.12 -2.29 -0.06 0.00 -1.01 0.00 0.00 31.44 28.21 1qku n GLU 423 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1qku h ILE 424 N 0.00 0.54 -0.75 -3.67 2.04 -1.63 -1.43 117.51 112.61 1qku h ILE 424 Ca 0.47 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.50 1qku h ILE 424 Cb 0.72 0.54 -0.13 0.00 -0.74 0.00 0.00 36.82 37.22 1qku h ILE 424 CO -1.01 0.00 -0.02 -0.26 0.00 0.00 0.00 178.15 176.86 1qku h PHE 425 N -0.43 -0.09 -0.25 1.37 -1.00 -0.03 0.24 116.94 116.75 1qku h PHE 425 Ca 0.01 0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.86 1qku h PHE 425 Cb 0.42 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1qku h PHE 425 CO -0.17 -0.25 0.13 -0.44 -1.61 0.00 0.00 178.31 175.97 1qku h ASP 426 N 0.09 0.19 -0.90 2.17 3.32 -0.75 0.44 116.42 120.97 1qku h ASP 426 Ca 0.40 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.52 1qku h ASP 426 Cb 0.70 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 1qku h ASP 426 CO -0.67 0.14 0.59 0.24 -1.72 0.00 0.00 179.24 177.82 1qku h MET 427 N 0.27 1.03 -0.34 3.56 2.86 0.34 0.44 114.93 123.08 1qku h MET 427 Ca 0.10 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1qku h MET 427 Cb 0.03 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1qku h MET 427 CO -0.07 0.68 -0.37 -0.07 1.06 0.00 0.00 176.91 178.14 1qku h LEU 428 N 1.06 0.83 -0.51 1.22 3.38 0.20 -1.24 115.31 120.27 1qku h LEU 428 Ca 0.38 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1qku h LEU 428 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1qku h LEU 428 CO -0.13 1.11 -0.19 -0.07 0.09 0.00 0.00 178.44 179.25 1qku h LEU 429 N 0.65 1.04 -0.22 1.67 3.38 0.12 0.52 115.31 122.47 1qku h LEU 429 Ca 0.06 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1qku h LEU 429 Cb 0.93 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1qku h LEU 429 CO 0.08 1.19 0.12 0.00 0.09 0.00 0.00 178.44 179.92 1qku h ALA 430 N 0.89 0.28 -0.35 1.53 0.00 -0.06 1.08 119.26 122.64 1qku h ALA 430 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1qku h ALA 430 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qku h ALA 430 CO 0.06 -0.18 -0.03 1.15 0.00 0.00 0.00 179.25 180.26 1qku h THR 431 N 0.25 1.27 -0.24 0.00 2.02 -1.10 0.28 112.91 115.39 1qku h THR 431 Ca 0.08 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.29 1qku h THR 431 Cb 0.08 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 1qku h THR 431 CO -0.01 0.34 -0.25 -1.28 0.37 0.00 0.00 175.52 174.69 1qku h SER 432 N 0.44 -0.80 0.32 4.18 0.87 0.55 -1.59 113.55 117.51 1qku h SER 432 Ca 0.10 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1qku h SER 432 Cb 0.50 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1qku h SER 432 CO 0.02 -0.29 -0.24 -1.28 -0.53 0.00 0.00 176.83 174.52 1qku h SER 433 N -0.26 -0.62 -0.93 6.23 0.87 0.15 -2.94 113.55 116.05 1qku h SER 433 Ca 0.13 0.05 0.21 0.00 -1.23 0.00 0.00 61.79 60.95 1qku h SER 433 Cb 0.47 0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 62.51 1qku h SER 433 CO -0.39 -0.37 0.47 -0.09 -0.53 0.00 0.00 176.83 175.93 1qku h ARG 434 N -0.56 0.50 0.21 2.24 9.65 0.02 -0.84 114.38 125.60 1qku h ARG 434 Ca -0.02 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1qku h ARG 434 Cb 0.49 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1qku h ARG 434 CO -0.00 0.33 -0.24 0.74 2.80 0.00 0.00 179.97 183.60 1qku h PHE 435 N 0.51 -0.64 -0.97 2.20 0.05 -1.13 -2.41 116.94 114.56 1qku h PHE 435 Ca 0.57 0.01 0.17 0.00 3.82 0.00 0.00 57.97 62.53 1qku h PHE 435 Cb 1.02 0.25 -0.09 0.00 2.00 0.00 0.00 35.95 39.14 1qku h PHE 435 CO -0.08 -0.35 0.61 -0.09 -0.18 0.00 0.00 178.31 178.21 1qku h ARG 436 N -0.50 0.72 0.00 1.51 2.43 -1.10 0.14 114.38 117.58 1qku h ARG 436 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qku h ARG 436 Cb 0.47 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1qku h ARG 436 CO -0.07 0.47 0.00 1.98 -1.51 0.00 0.00 179.97 180.84 1qku h MET 437 N 0.74 0.00 -0.01 0.20 4.05 -0.82 -1.67 114.93 117.42 1qku h MET 437 Ca 0.52 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.94 1qku h MET 437 Cb 0.82 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1qku h MET 437 CO -0.28 0.00 -0.43 -1.33 0.23 0.00 0.00 176.91 175.09 1qku n MET 438 N -2.86 1.68 -3.31 0.39 2.81 0.40 -4.99 117.12 111.25 1qku n MET 438 Ca -0.01 -0.64 -0.16 0.00 -1.81 0.00 0.00 57.70 55.09 1qku n MET 438 Cb 0.18 -1.28 0.08 0.00 -0.71 0.00 0.00 33.22 31.49 1qku n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qku n ASN 439 N -0.40 -4.77 -4.66 7.83 4.05 -0.63 -4.85 115.26 111.84 1qku n ASN 439 Ca 0.06 -0.67 -0.42 0.00 0.45 0.00 0.00 54.58 54.00 1qku n ASN 439 Cb 0.33 -5.14 -0.03 0.00 1.23 0.00 0.00 39.78 36.17 1qku n ASN 439 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1qku s LEU 440 N -5.75 4.36 -0.01 1.20 2.96 -1.09 -4.95 118.68 115.41 1qku s LEU 440 Ca 0.27 2.60 -0.23 0.00 -0.22 0.00 0.00 54.13 56.55 1qku s LEU 440 Cb -0.04 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1qku s LEU 440 CO 0.73 -1.11 0.69 -1.10 -1.32 0.00 0.00 176.35 174.24 1qku s GLN 441 N 4.57 4.42 0.31 1.98 -1.52 -1.26 -4.94 119.66 123.22 1qku s GLN 441 Ca 0.89 0.90 0.22 0.00 -1.95 0.00 0.00 55.36 55.42 1qku s GLN 441 Cb -0.42 -3.38 1.08 0.00 -0.22 0.00 0.00 33.01 30.07 1qku s GLN 441 CO 0.41 0.24 1.16 0.41 -0.25 0.00 0.00 175.29 177.26 1qku n GLY 442 N 2.64 -0.60 0.17 3.09 0.00 -1.26 0.34 105.19 109.57 1qku n GLY 442 Ca -0.03 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 1qku n GLY 442 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qku h GLU 443 N 0.00 0.52 -0.44 1.61 3.07 -2.00 -2.80 114.58 114.52 1qku h GLU 443 Ca 0.65 -0.17 0.04 0.00 -0.50 0.00 0.00 59.36 59.38 1qku h GLU 443 Cb 1.98 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.80 1qku h GLU 443 CO -0.41 0.67 0.22 0.93 -1.40 0.00 0.00 179.01 179.02 1qku h GLU 444 N 0.31 0.43 0.00 2.33 5.08 -0.50 -2.65 114.58 119.57 1qku h GLU 444 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1qku h GLU 444 Cb 0.44 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1qku h GLU 444 CO 0.02 0.28 0.00 0.34 -1.00 0.00 0.00 179.01 178.65 1qku n PHE 445 N -4.91 0.00 -0.15 4.33 7.35 -1.02 -0.39 117.46 122.68 1qku n PHE 445 Ca 0.03 0.00 0.28 0.00 -0.76 0.00 0.00 57.45 57.00 1qku n PHE 445 Cb 0.11 -0.46 0.68 0.00 0.35 0.00 0.00 39.48 40.17 1qku n PHE 445 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1qku h VAL 446 N 0.00 0.30 0.18 -2.13 -1.51 -1.42 0.66 116.25 112.33 1qku h VAL 446 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1qku h VAL 446 Cb 0.00 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.57 1qku h VAL 446 CO 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.25 1qku h LEU 448 N -0.73 -1.34 -0.96 0.00 3.38 0.29 0.13 115.31 116.07 1qku h LEU 448 Ca -0.03 0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.27 1qku h LEU 448 Cb 0.50 0.48 -0.18 0.00 0.09 0.00 0.00 40.66 41.55 1qku h LEU 448 CO 0.04 -0.56 -0.22 0.50 0.09 0.00 0.00 178.44 178.29 1qku h LYS 449 N -0.80 0.00 -0.50 1.13 3.64 -0.80 0.58 116.57 119.81 1qku h LYS 449 Ca -0.02 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1qku h LYS 449 Cb 0.76 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1qku h LYS 449 CO -0.18 0.00 0.10 0.77 -2.27 0.00 0.00 179.45 177.87 1qku h SER 450 N 0.00 0.78 -0.57 4.20 0.02 -0.62 -2.73 113.55 114.63 1qku h SER 450 Ca 0.47 -0.25 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1qku h SER 450 Cb 0.74 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1qku h SER 450 CO -0.98 0.83 0.38 0.40 -1.14 0.00 0.00 176.83 176.31 1qku h ILE 451 N 0.70 1.01 -0.10 3.27 2.04 0.28 -1.85 117.51 122.87 1qku h ILE 451 Ca 0.15 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1qku h ILE 451 Cb 0.37 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1qku h ILE 451 CO 0.01 0.10 -0.06 0.40 0.00 0.00 0.00 178.15 178.60 1qku h ILE 452 N 0.57 1.34 -0.08 -0.67 2.04 -0.82 0.20 117.51 120.09 1qku h ILE 452 Ca 0.24 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1qku h ILE 452 Cb 0.23 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1qku h ILE 452 CO -0.07 0.32 0.12 0.25 0.00 0.00 0.00 178.15 178.78 1qku h LEU 453 N -0.17 0.00 0.00 1.44 5.85 -1.13 -2.37 115.31 118.93 1qku h LEU 453 Ca 0.02 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.39 1qku h LEU 453 Cb 0.54 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1qku h LEU 453 CO 0.02 0.00 -2.32 0.18 -0.34 0.00 0.00 178.44 175.98 1qku n LEU 454 N -3.59 1.86 -0.05 2.25 4.77 -0.75 -4.67 117.00 116.82 1qku n LEU 454 Ca -0.01 -0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1qku n LEU 454 Cb 0.22 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1qku n LEU 454 CO 0.25 0.73 -0.04 -1.13 -1.33 0.00 0.00 177.39 175.87 1qku h ASN 455 N 0.00 0.00 -0.98 -1.43 -1.24 -0.48 -3.42 115.58 108.03 1qku h ASN 455 Ca -0.52 0.00 -0.71 0.00 0.71 0.00 0.00 56.30 55.78 1qku h ASN 455 Cb 1.94 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.98 1qku h ASN 455 CO -0.04 0.51 1.28 -1.20 -1.29 0.00 0.00 177.43 176.69 1qku n SER 456 N -4.62 1.92 -1.13 1.15 7.64 -0.90 -1.72 113.62 115.96 1qku n SER 456 Ca -0.01 0.62 -0.02 0.00 1.01 0.00 0.00 58.87 60.47 1qku n SER 456 Cb 0.03 -1.16 0.01 0.00 -1.01 0.00 0.00 64.21 62.08 1qku n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qku n GLY 457 N 6.20 0.47 0.04 0.23 0.00 -1.26 -4.58 105.19 106.29 1qku n GLY 457 Ca 0.41 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1qku n GLY 457 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1qku n VAL 458 N -1.60 0.53 0.82 1.61 3.14 -0.70 -4.45 118.33 117.69 1qku n VAL 458 Ca -0.02 -0.31 0.13 0.00 -2.96 0.00 0.00 64.34 61.18 1qku n VAL 458 Cb 0.51 -0.80 0.52 0.00 -1.06 0.00 0.00 33.84 33.01 1qku n VAL 458 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1qku n TYR 459 N -2.36 0.22 -1.44 1.45 4.02 -1.26 -3.11 117.16 114.68 1qku n TYR 459 Ca -0.13 0.07 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 1qku n TYR 459 Cb 0.74 -0.61 0.16 0.00 -0.02 0.00 0.00 39.34 39.61 1qku n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qku n THR 460 N -1.68 2.86 -1.81 -0.72 -2.24 -1.26 -5.03 114.28 104.39 1qku n THR 460 Ca 0.06 -2.70 -0.42 0.00 -2.27 0.00 0.00 64.05 58.72 1qku n THR 460 Cb 0.32 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1qku n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1qku s PHE 461 N -3.37 2.76 0.20 4.78 2.99 -1.18 -4.89 117.98 119.27 1qku s PHE 461 Ca 0.51 0.36 -0.04 0.00 0.00 0.00 0.00 56.93 57.76 1qku s PHE 461 Cb 0.44 -4.06 0.38 0.00 0.00 0.00 0.00 43.02 39.78 1qku s PHE 461 CO 0.03 -4.09 1.10 1.47 -0.00 0.00 0.00 175.22 173.73 1qku n LEU 462 N 4.49 -0.21 -4.73 -0.37 -0.00 -1.26 -4.37 117.00 110.55 1qku n LEU 462 Ca 0.16 1.21 -0.41 0.00 -0.00 0.00 0.00 56.01 56.97 1qku n LEU 462 Cb 0.37 -0.39 -0.04 0.00 -0.00 0.00 0.00 43.42 43.37 1qku n LEU 462 CO 0.63 -1.18 0.72 -0.44 -0.00 0.00 0.00 177.39 177.13 1qku s SER 463 N -5.13 7.40 -0.08 1.45 0.01 -1.26 -4.88 113.70 111.22 1qku s SER 463 Ca -0.10 1.92 0.13 0.00 1.31 0.00 0.00 55.95 59.21 1qku s SER 463 Cb 0.20 -2.60 0.38 0.00 0.21 0.00 0.00 66.02 64.21 1qku s SER 463 CO 0.55 -0.13 1.30 -1.20 0.41 0.00 0.00 173.24 174.18 1qku n SER 464 N 2.59 3.23 -3.13 2.44 7.64 -1.26 -4.76 113.62 120.37 1qku n SER 464 Ca 0.02 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1qku n SER 464 Cb 0.48 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1qku n SER 464 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1qku n THR 465 N -0.02 0.00 -0.11 0.44 -2.24 -1.26 -5.00 114.28 106.09 1qku n THR 465 Ca 0.15 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.69 1qku n THR 465 Cb 0.61 -0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 1qku n THR 465 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1qku n LEU 466 N 0.00 2.12 0.03 3.22 -0.00 -1.26 -4.13 117.00 116.97 1qku n LEU 466 Ca 0.00 0.30 0.05 0.00 -0.00 0.00 0.00 56.01 56.37 1qku n LEU 466 Cb 0.00 -0.93 0.24 0.00 -0.00 0.00 0.00 43.42 42.73 1qku n LEU 466 CO 0.00 0.53 0.67 1.17 -0.00 0.00 0.00 177.39 179.76 1qku n LYS 467 N -4.12 0.03 0.01 1.96 4.81 -1.26 -0.95 118.16 118.64 1qku n LYS 467 Ca -0.42 0.40 -0.17 0.00 -0.87 0.00 0.00 58.31 57.25 1qku n LYS 467 Cb 0.84 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 34.24 1qku n LYS 467 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1qku h SER 468 N 0.00 0.88 -0.30 3.14 0.87 -1.86 -2.77 113.55 113.50 1qku h SER 468 Ca 0.00 -0.62 -0.09 0.00 -1.23 0.00 0.00 61.79 59.84 1qku h SER 468 Cb 0.15 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1qku h SER 468 CO 0.00 1.42 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.51 1qku h LEU 469 N 0.46 0.73 0.78 2.23 -0.00 -1.23 0.90 115.31 119.18 1qku h LEU 469 Ca -0.08 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.55 1qku h LEU 469 Cb 1.50 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1qku h LEU 469 CO 0.17 0.88 -0.42 -0.33 -0.00 0.00 0.00 178.44 178.74 1qku h GLU 470 N 0.66 -1.07 -0.06 1.13 5.08 -1.54 -0.90 114.58 117.89 1qku h GLU 470 Ca 0.11 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1qku h GLU 470 Cb 0.60 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1qku h GLU 470 CO 0.04 -0.71 -0.22 0.93 -1.00 0.00 0.00 179.01 178.05 1qku h GLU 471 N -1.11 -0.22 -1.50 2.33 4.39 -1.33 0.16 114.58 117.29 1qku h GLU 471 Ca -0.10 0.02 0.48 0.00 0.34 0.00 0.00 59.36 60.09 1qku h GLU 471 Cb 0.87 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.46 1qku h GLU 471 CO 0.14 -0.15 1.01 -0.22 -1.16 0.00 0.00 179.01 178.63 1qku h LYS 472 N -0.23 0.04 0.16 2.33 3.64 -0.81 0.58 116.57 122.27 1qku h LYS 472 Ca 0.01 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.09 1qku h LYS 472 Cb 0.27 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1qku h LYS 472 CO -0.18 0.02 -1.28 0.22 -2.27 0.00 0.00 179.45 175.96 1qku h ASP 473 N 0.04 0.85 0.03 4.20 3.58 0.62 -2.93 116.42 122.80 1qku h ASP 473 Ca 0.86 -0.85 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1qku h ASP 473 Cb 2.95 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 43.73 1qku h ASP 473 CO -0.32 1.63 -0.02 -0.74 -2.88 0.00 0.00 179.24 176.91 1qku h HIS 474 N 0.20 -0.05 -0.16 0.28 2.76 0.27 -1.19 115.15 117.26 1qku h HIS 474 Ca -0.20 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.01 1qku h HIS 474 Cb 1.96 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.88 1qku h HIS 474 CO 0.12 -0.03 -0.22 0.82 -1.30 0.00 0.00 177.93 177.33 1qku h ILE 475 N -0.05 0.46 -0.95 6.26 2.04 -1.39 0.40 117.51 124.28 1qku h ILE 475 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 1qku h ILE 475 Cb 0.04 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 36.46 1qku h ILE 475 CO 0.00 0.00 0.52 0.45 0.00 0.00 0.00 178.15 179.12 1qku h HIS 476 N -0.26 0.90 0.11 1.37 3.86 -1.29 0.32 115.15 120.15 1qku h HIS 476 Ca 0.11 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1qku h HIS 476 Cb 0.43 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1qku h HIS 476 CO -0.34 0.10 -0.05 -0.09 0.86 0.00 0.00 177.93 178.42 1qku h ARG 477 N 0.59 -0.14 -0.34 2.45 2.43 0.20 0.15 114.38 119.72 1qku h ARG 477 Ca 0.58 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.78 1qku h ARG 477 Cb 1.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1qku h ARG 477 CO -0.45 0.13 0.16 0.28 -1.51 0.00 0.00 179.97 178.59 1qku h VAL 478 N -0.40 0.97 -0.46 0.20 2.07 0.51 -1.52 116.25 117.62 1qku h VAL 478 Ca -0.01 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1qku h VAL 478 Cb 0.33 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1qku h VAL 478 CO 0.02 0.06 0.06 -0.07 0.02 0.00 0.00 177.57 177.67 1qku h LEU 479 N 0.34 -0.06 -1.07 2.57 3.38 -0.32 0.11 115.31 120.25 1qku h LEU 479 Ca 0.14 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.36 1qku h LEU 479 Cb 0.06 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1qku h LEU 479 CO -0.11 -0.00 0.62 0.44 0.09 0.00 0.00 178.44 179.48 1qku h ASP 480 N 0.18 0.80 -0.33 -0.43 3.32 0.00 -0.07 116.42 119.89 1qku h ASP 480 Ca 0.23 0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.17 1qku h ASP 480 Cb 0.31 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1qku h ASP 480 CO -0.33 0.36 -0.48 0.50 -1.72 0.00 0.00 179.24 177.58 1qku h LYS 481 N 0.82 0.91 -0.18 3.56 3.64 -0.13 -2.66 116.57 122.54 1qku h LYS 481 Ca 0.53 -0.53 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1qku h LYS 481 Cb 0.74 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1qku h LYS 481 CO -0.30 1.18 0.12 0.82 -2.27 0.00 0.00 179.45 179.00 1qku h ILE 482 N 0.72 0.94 -0.50 2.00 2.04 0.85 0.17 117.51 123.74 1qku h ILE 482 Ca 0.04 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1qku h ILE 482 Cb 1.08 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1qku h ILE 482 CO 0.11 0.01 -0.02 0.74 0.00 0.00 0.00 178.15 178.99 1qku h THR 483 N 0.06 1.26 -0.30 -0.27 2.02 -0.82 -1.60 112.91 113.26 1qku h THR 483 Ca 0.08 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1qku h THR 483 Cb 0.25 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1qku h THR 483 CO -0.01 0.39 0.14 0.44 0.37 0.00 0.00 175.52 176.86 1qku h ASP 484 N 0.75 0.40 -0.16 4.18 3.32 -0.50 0.19 116.42 124.60 1qku h ASP 484 Ca 0.14 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.11 1qku h ASP 484 Cb 0.54 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1qku h ASP 484 CO 0.03 0.41 -0.19 0.74 -1.72 0.00 0.00 179.24 178.51 1qku h THR 485 N 0.35 0.51 0.48 0.35 2.02 -0.89 0.29 112.91 116.02 1qku h THR 485 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1qku h THR 485 Cb 0.12 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1qku h THR 485 CO -0.01 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.42 1qku h LEU 486 N -0.22 -1.02 -1.04 2.58 3.38 -0.89 0.13 115.31 118.23 1qku h LEU 486 Ca 0.11 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.32 1qku h LEU 486 Cb 0.38 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 1qku h LEU 486 CO -0.29 -0.56 0.62 0.40 0.09 0.00 0.00 178.44 178.69 1qku h ILE 487 N -0.86 0.79 0.67 1.22 1.08 -0.38 -2.03 117.51 118.01 1qku h ILE 487 Ca -0.05 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 1qku h ILE 487 Cb 0.74 -0.12 0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1qku h ILE 487 CO -0.01 0.15 -0.32 -0.74 -0.69 0.00 0.00 178.15 176.55 1qku h HIS 488 N 0.84 -0.83 0.00 1.37 2.76 0.05 -2.37 115.15 116.97 1qku h HIS 488 Ca 0.54 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1qku h HIS 488 Cb 0.75 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1qku h HIS 488 CO -0.00 -0.52 0.62 -0.07 -1.30 0.00 0.00 177.93 176.66 1qku h LEU 489 N -0.96 0.00 0.02 0.26 3.38 -0.28 0.25 115.31 117.99 1qku h LEU 489 Ca -0.09 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.58 1qku h LEU 489 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1qku h LEU 489 CO 0.15 0.00 -1.70 0.24 0.09 0.00 0.00 178.44 177.22 1qku h MET 490 N 0.00 0.04 0.00 1.13 2.86 -1.04 -3.34 114.93 114.58 1qku h MET 490 Ca 0.00 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 1qku h MET 490 Cb 1.23 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 1qku h MET 490 CO 0.00 0.63 -0.86 0.00 1.06 0.00 0.00 176.91 177.74 1qku h ALA 491 N 0.86 0.47 0.00 6.32 0.00 -0.06 -3.02 119.26 123.84 1qku h ALA 491 Ca -0.29 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1qku h ALA 491 Cb 2.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1qku h ALA 491 CO 0.09 1.07 0.00 1.17 0.00 0.00 0.00 179.25 181.58 1qku n LYS 492 N -3.35 0.43 -0.96 0.00 0.00 -0.34 -0.13 118.16 113.80 1qku n LYS 492 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.32 1qku n LYS 492 Cb 0.87 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.68 1qku n LYS 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qku n ALA 493 N 0.31 2.29 0.00 3.14 0.00 -1.14 -5.02 120.51 120.09 1qku n ALA 493 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1qku n ALA 493 Cb 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1qku n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qku n GLY 494 N 0.21 0.45 3.70 0.00 0.00 0.81 -4.92 105.19 105.44 1qku n GLY 494 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 1qku n GLY 494 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qku n LEU 495 N 0.00 2.38 -4.36 0.99 4.32 -1.24 -4.89 117.00 114.19 1qku n LEU 495 Ca 0.00 1.07 -0.34 0.00 -0.02 0.00 0.00 56.01 56.73 1qku n LEU 495 Cb 0.00 -1.16 0.11 0.00 -1.62 0.00 0.00 43.42 40.74 1qku n LEU 495 CO 0.00 -0.47 -0.25 0.35 -1.22 0.00 0.00 177.39 175.80 1qku n THR 496 N 4.39 0.15 -0.03 -5.08 -2.24 -1.26 -4.49 114.28 105.72 1qku n THR 496 Ca 0.25 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1qku n THR 496 Cb 0.15 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1qku n THR 496 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1qku h LEU 497 N -1.38 -1.03 -0.73 3.22 3.38 -2.00 0.43 115.31 117.20 1qku h LEU 497 Ca -0.44 0.16 0.16 0.00 0.09 0.00 0.00 57.88 57.85 1qku h LEU 497 Cb 1.29 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 42.37 1qku h LEU 497 CO 0.33 -0.35 0.04 -0.61 0.09 0.00 0.00 178.44 177.94 1qku h GLN 498 N -0.36 0.13 -0.70 1.13 4.15 -2.00 0.19 115.11 117.65 1qku h GLN 498 Ca 0.11 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1qku h GLN 498 Cb 0.55 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1qku h GLN 498 CO -0.40 0.09 0.32 1.96 -1.93 0.00 0.00 178.83 178.87 1qku h GLN 499 N 0.14 0.99 0.04 1.69 4.20 -1.29 -0.88 115.11 120.00 1qku h GLN 499 Ca 0.40 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1qku h GLN 499 Cb 0.69 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1qku h GLN 499 CO -0.61 0.78 -0.02 1.96 -0.67 0.00 0.00 178.83 180.27 1qku h GLN 500 N 0.99 -0.05 0.06 1.46 4.20 0.68 0.19 115.11 122.64 1qku h GLN 500 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1qku h GLN 500 Cb 0.12 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1qku h GLN 500 CO -0.03 0.02 -0.17 0.45 -0.67 0.00 0.00 178.83 178.43 1qku h HIS 501 N -0.11 -0.50 -0.64 2.96 3.86 -0.96 0.13 115.15 119.89 1qku h HIS 501 Ca -0.01 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 1qku h HIS 501 Cb 0.09 0.21 -0.12 0.00 1.06 0.00 0.00 27.41 28.65 1qku h HIS 501 CO -0.06 -0.20 -0.28 1.96 0.86 0.00 0.00 177.93 180.22 1qku h GLN 502 N -0.26 -0.10 -0.16 2.45 4.20 -1.09 0.13 115.11 120.30 1qku h GLN 502 Ca -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1qku h GLN 502 Cb 0.25 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1qku h GLN 502 CO -0.08 -0.07 -0.05 -0.09 -0.67 0.00 0.00 178.83 177.87 1qku h ARG 503 N -0.10 0.23 0.62 1.46 2.43 -0.44 0.11 114.38 118.68 1qku h ARG 503 Ca 0.27 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1qku h ARG 503 Cb 0.54 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1qku h ARG 503 CO -0.70 0.30 -0.35 1.25 -1.51 0.00 0.00 179.97 178.95 1qku h LEU 504 N 0.23 -0.88 -0.54 3.80 5.85 0.13 -1.36 115.31 122.53 1qku h LEU 504 Ca 0.05 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1qku h LEU 504 Cb 0.24 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 1qku h LEU 504 CO 0.01 -0.56 -0.24 0.00 -0.34 0.00 0.00 178.44 177.31 1qku h ALA 505 N -1.43 0.14 -1.00 1.25 0.00 -0.99 0.28 119.26 117.51 1qku h ALA 505 Ca -0.08 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.20 1qku h ALA 505 Cb 0.71 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1qku h ALA 505 CO 0.10 -0.56 0.61 1.96 0.00 0.00 0.00 179.25 181.36 1qku h GLN 506 N -0.11 0.72 0.01 0.00 4.20 -0.81 0.42 115.11 119.55 1qku h GLN 506 Ca 0.25 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1qku h GLN 506 Cb 0.50 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1qku h GLN 506 CO -0.61 0.48 -0.00 -0.07 -0.67 0.00 0.00 178.83 177.95 1qku h LEU 507 N 0.75 -0.01 -1.97 1.46 3.38 0.15 -3.13 115.31 115.93 1qku h LEU 507 Ca 0.56 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1qku h LEU 507 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1qku h LEU 507 CO -0.35 0.64 0.08 -0.07 0.09 0.00 0.00 178.44 178.83 1qku h LEU 508 N -0.67 0.04 -1.19 1.67 3.38 -0.35 -0.21 115.31 117.97 1qku h LEU 508 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1qku h LEU 508 Cb 0.65 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1qku h LEU 508 CO 0.00 0.03 -0.11 -0.07 0.09 0.00 0.00 178.44 178.37 1qku h LEU 509 N 0.04 0.00 -0.48 1.67 3.38 -0.17 -2.38 115.31 117.38 1qku h LEU 509 Ca 0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1qku h LEU 509 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qku h LEU 509 CO -0.00 0.11 -0.41 0.40 0.09 0.00 0.00 178.44 178.63 1qku h ILE 510 N 0.00 1.28 0.00 1.22 1.08 -0.98 -2.40 117.51 117.71 1qku h ILE 510 Ca -0.00 -1.58 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1qku h ILE 510 Cb 0.66 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1qku h ILE 510 CO 0.01 0.52 0.18 -0.07 -0.69 0.00 0.00 178.15 178.10 1qku h LEU 511 N 0.66 0.00 -0.01 1.44 3.38 -1.32 0.21 115.31 119.68 1qku h LEU 511 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qku h LEU 511 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1qku h LEU 511 CO 0.09 0.00 -0.03 -1.28 0.09 0.00 0.00 178.44 177.31 1qku h SER 512 N 0.00 0.04 -0.73 -0.43 0.87 -1.45 -2.41 113.55 109.44 1qku h SER 512 Ca 0.00 -0.66 -0.03 0.00 -1.23 0.00 0.00 61.79 59.87 1qku h SER 512 Cb 0.35 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1qku h SER 512 CO 0.00 0.69 0.35 -0.74 -0.53 0.00 0.00 176.83 176.60 1qku h HIS 513 N -0.62 1.05 -0.07 2.24 -0.00 -0.73 -1.46 115.15 115.57 1qku h HIS 513 Ca -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1qku h HIS 513 Cb 0.69 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1qku h HIS 513 CO 0.16 0.78 0.04 0.82 -0.00 0.00 0.00 177.93 179.72 1qku h ILE 514 N 1.02 1.01 -0.69 6.26 2.04 -1.08 0.34 117.51 126.42 1qku h ILE 514 Ca 0.25 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 66.23 1qku h ILE 514 Cb 0.12 0.92 -0.11 0.00 -0.74 0.00 0.00 36.82 37.01 1qku h ILE 514 CO -0.03 0.02 0.12 -0.09 0.00 0.00 0.00 178.15 178.17 1qku h ARG 515 N 0.08 0.22 0.18 2.37 1.12 -1.09 0.14 114.38 117.41 1qku h ARG 515 Ca 0.03 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1qku h ARG 515 Cb -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1qku h ARG 515 CO -0.01 0.15 -0.09 1.25 -3.11 0.00 0.00 179.97 178.16 1qku h HIS 516 N 0.23 -0.22 -0.09 2.20 2.76 -0.18 -2.10 115.15 117.74 1qku h HIS 516 Ca 0.38 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1qku h HIS 516 Cb 0.63 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 1qku h HIS 516 CO -0.29 -0.11 0.07 0.52 -1.30 0.00 0.00 177.93 176.82 1qku h MET 517 N -0.28 0.00 -0.34 5.26 2.86 0.10 -1.45 114.93 121.09 1qku h MET 517 Ca -0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 1qku h MET 517 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1qku h MET 517 CO 0.04 0.00 -0.38 1.03 1.06 0.00 0.00 176.91 178.66 1qku h SER 518 N 0.00 0.92 0.26 1.22 0.87 -0.23 0.77 113.55 117.36 1qku h SER 518 Ca 0.04 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1qku h SER 518 Cb 0.19 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1qku h SER 518 CO -0.00 1.22 -0.13 0.78 -0.53 0.00 0.00 176.83 178.17 1qku h ASN 519 N 0.65 -0.30 -0.27 6.23 2.35 -0.64 -0.79 115.58 122.81 1qku h ASN 519 Ca 0.05 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1qku h ASN 519 Cb 0.98 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1qku h ASN 519 CO 0.09 0.05 0.14 0.11 -1.65 0.00 0.00 177.43 176.17 1qku h LYS 520 N -0.68 0.28 0.00 0.81 1.79 -1.43 -1.72 116.57 115.62 1qku h LYS 520 Ca -0.04 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1qku h LYS 520 Cb 0.47 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1qku h LYS 520 CO 0.06 0.19 -0.12 0.78 -1.08 0.00 0.00 179.45 179.28 1qku h GLY 521 N 0.29 0.00 0.84 3.86 0.00 -0.84 -1.96 103.07 105.25 1qku h GLY 521 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 1qku h GLY 521 CO -0.07 0.00 -0.59 1.98 0.00 0.00 0.00 176.54 177.86 1qku h MET 522 N 0.00 0.46 -0.82 4.80 1.85 -0.56 -2.30 114.93 118.36 1qku h MET 522 Ca -0.00 -0.45 0.06 0.00 -0.61 0.00 0.00 59.70 58.70 1qku h MET 522 Cb 0.25 0.12 -0.05 0.00 0.43 0.00 0.00 31.60 32.35 1qku h MET 522 CO 0.02 1.10 0.54 0.93 -0.40 0.00 0.00 176.91 179.09 1qku h GLU 523 N -0.00 0.88 0.93 0.39 4.39 -0.91 -1.44 114.58 118.81 1qku h GLU 523 Ca -0.06 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1qku h GLU 523 Cb 1.28 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1qku h GLU 523 CO 0.12 0.58 -0.45 1.25 -1.16 0.00 0.00 179.01 179.35 1qku h HIS 524 N 0.91 -1.16 -0.84 4.33 2.76 -1.30 -1.88 115.15 117.97 1qku h HIS 524 Ca 0.35 -0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.66 1qku h HIS 524 Cb 0.22 0.38 -0.10 0.00 1.55 0.00 0.00 27.41 29.47 1qku h HIS 524 CO -0.00 -0.72 0.40 1.25 -1.30 0.00 0.00 177.93 177.56 1qku h LEU 525 N -1.31 0.43 -0.79 0.26 5.85 -1.02 0.39 115.31 119.11 1qku h LEU 525 Ca -0.13 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1qku h LEU 525 Cb 0.96 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1qku h LEU 525 CO 0.21 0.15 0.48 0.22 -0.34 0.00 0.00 178.44 179.15 1qku h TYR 526 N 0.54 0.88 0.09 1.25 5.03 -1.09 -1.58 116.97 122.07 1qku h TYR 526 Ca 0.47 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.81 1qku h TYR 526 Cb 0.73 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1qku h TYR 526 CO -0.12 0.43 -0.04 1.03 -1.32 0.00 0.00 178.16 178.14 1qku h SER 527 N 0.87 -0.11 -0.79 -2.11 0.87 0.57 -1.10 113.55 111.74 1qku h SER 527 Ca 0.35 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.05 1qku h SER 527 Cb 0.18 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 1qku h SER 527 CO -0.18 -0.07 0.52 0.24 -0.53 0.00 0.00 176.83 176.81 1qku h MET 528 N -0.12 0.53 0.00 2.24 2.86 -0.88 0.46 114.93 120.02 1qku h MET 528 Ca -0.01 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1qku h MET 528 Cb 0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1qku h MET 528 CO 0.02 0.35 -0.46 -0.22 1.06 0.00 0.00 176.91 177.66 1qku h LYS 529 N 0.55 0.00 0.00 1.72 3.64 -0.69 -1.94 116.57 119.85 1qku h LYS 529 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1qku h LYS 529 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1qku h LYS 529 CO -0.15 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 177.50 1qku n LYS 531 N -2.25 2.28 -3.46 0.00 5.02 -0.39 -4.98 118.16 114.38 1qku n LYS 531 Ca 0.05 -2.08 -0.23 0.00 -2.02 0.00 0.00 58.31 54.03 1qku n LYS 531 Cb 0.40 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 34.01 1qku n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qku n ASN 532 N 1.31 -5.79 0.00 4.39 3.02 -0.87 -4.89 115.26 112.43 1qku n ASN 532 Ca 0.16 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1qku n ASN 532 Cb 0.56 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 1qku n ASN 532 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qku n VAL 533 N -3.71 0.00 -3.28 2.41 0.31 -0.78 -5.03 118.33 108.25 1qku n VAL 533 Ca -0.09 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.74 1qku n VAL 533 Cb 0.61 0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 34.04 1qku n VAL 533 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qku s VAL 534 N -1.31 4.99 0.92 2.52 0.11 -1.24 -4.48 120.40 121.91 1qku s VAL 534 Ca 0.00 1.12 -0.11 0.00 -2.93 0.00 0.00 61.98 60.05 1qku s VAL 534 Cb 0.00 -3.87 0.15 0.00 -1.53 0.00 0.00 36.38 31.12 1qku s VAL 534 CO 0.00 0.42 1.09 -2.84 -3.33 0.00 0.00 175.10 170.44 1qku s PRO 535 N -0.15 1.02 -1.24 1.54 0.02 -1.26 -4.91 135.00 130.02 1qku s PRO 535 Ca 0.29 0.98 -0.13 0.00 0.02 0.00 0.00 61.00 62.17 1qku s PRO 535 Cb -0.17 -1.77 0.17 0.00 0.02 0.00 0.00 34.50 32.74 1qku s PRO 535 CO 0.15 -2.45 1.58 1.28 -0.33 0.00 0.00 177.00 177.23 1qku n LEU 536 N -4.05 5.62 -4.35 -5.54 4.32 -1.26 -4.91 117.00 106.82 1qku n LEU 536 Ca 0.07 -4.49 -0.46 0.00 -0.02 0.00 0.00 56.01 51.11 1qku n LEU 536 Cb 0.54 -1.59 -0.03 0.00 -1.62 0.00 0.00 43.42 40.73 1qku n LEU 536 CO 0.54 0.89 0.49 -0.31 -1.22 0.00 0.00 177.39 177.78 1qku s TYR 537 N 1.35 3.53 0.37 -1.77 4.12 -1.26 -4.95 117.35 118.74 1qku s TYR 537 Ca 0.42 -1.72 0.19 0.00 0.02 0.00 0.00 57.07 55.98 1qku s TYR 537 Cb 0.01 -3.91 1.20 0.00 -1.52 0.00 0.00 41.96 37.73 1qku s TYR 537 CO 0.01 -1.11 1.66 0.38 0.02 0.00 0.00 175.55 176.51 1qku h ASP 538 N 8.21 0.43 0.19 2.29 -0.00 -1.96 0.46 116.42 126.03 1qku h ASP 538 Ca 0.03 0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 57.23 1qku h ASP 538 Cb 1.05 0.13 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 1qku h ASP 538 CO 0.88 -0.15 -0.09 0.25 -0.00 0.00 0.00 179.24 180.13 1qku h LEU 539 N 0.25 -0.21 -0.75 0.15 6.46 -1.93 0.90 115.31 120.18 1qku h LEU 539 Ca 0.75 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 58.29 1qku h LEU 539 Cb 1.92 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.86 1qku h LEU 539 CO -0.54 0.16 0.47 0.25 -0.62 0.00 0.00 178.44 178.16 1qku h LEU 540 N -0.61 0.78 -1.90 2.25 5.85 -1.54 -1.08 115.31 119.06 1qku h LEU 540 Ca -0.03 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1qku h LEU 540 Cb 0.45 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1qku h LEU 540 CO 0.04 0.54 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.53 1qku h LEU 541 N 0.92 0.00 -0.02 2.25 -0.00 0.02 -2.52 115.31 115.96 1qku h LEU 541 Ca 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.14 1qku h LEU 541 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1qku h LEU 541 CO -0.11 0.07 -0.14 -0.08 -0.00 0.00 0.00 178.44 178.18 1qku h GLU 542 N 0.00 0.14 0.00 1.13 4.81 0.42 -0.04 114.58 121.04 1qku h GLU 542 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1qku h GLU 542 Cb 0.13 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1qku h GLU 542 CO 0.01 0.79 0.00 -1.33 -0.73 0.00 0.00 179.01 177.75 1qku n MET 543 N -4.61 0.38 -0.08 1.92 2.81 -0.73 -2.22 117.12 114.58 1qku n MET 543 Ca -0.09 0.04 -0.17 0.00 -1.81 0.00 0.00 57.70 55.67 1qku n MET 543 Cb 0.41 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1qku n MET 543 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1qku n LEU 544 N -1.08 1.30 0.00 4.03 7.94 -0.97 -4.28 117.00 123.93 1qku n LEU 544 Ca 0.10 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1qku n LEU 544 Cb 0.07 -0.49 0.02 0.00 0.53 0.00 0.00 43.42 43.55 1qku n LEU 544 CO 0.09 0.37 0.21 0.47 -1.11 0.00 0.00 177.39 177.43 1qku n ASP 545 N -3.68 0.00 -0.00 1.96 10.43 -0.04 -1.96 116.55 123.26 1qku n ASP 545 Ca -0.32 -0.75 0.01 0.00 2.57 0.00 0.00 54.79 56.30 1qku n ASP 545 Cb 0.74 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.58 1qku n ASP 545 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1qku n ALA 546 N -0.53 2.08 0.07 2.24 0.00 -0.94 -4.19 120.51 119.25 1qku n ALA 546 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 53.44 52.80 1qku n ALA 546 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1qku n ALA 546 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qku h HIS 547 N 0.00 0.00 -5.72 0.00 3.86 -1.62 -3.48 115.15 108.19 1qku h HIS 547 Ca -0.20 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.69 1qku h HIS 547 Cb 1.55 0.00 0.15 0.00 1.06 0.00 0.00 27.41 30.18 1qku h HIS 547 CO 0.00 0.42 -0.86 0.54 0.86 0.00 0.00 177.93 178.89 1qku n ARG 548 N -2.90 -3.10 -3.49 2.45 1.74 -1.25 -4.97 116.66 105.13 1qku n ARG 548 Ca -0.05 0.75 -0.38 0.00 -0.77 0.00 0.00 57.85 57.40 1qku n ARG 548 Cb 0.75 -5.42 -0.10 0.00 -1.02 0.00 0.00 32.46 26.67 1qku n ARG 548 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1qku s LEU 549 N -5.92 4.05 0.00 0.55 0.05 -1.26 -5.18 118.68 110.97 1qku s LEU 549 Ca 0.33 0.18 0.09 0.00 0.05 0.00 0.00 54.13 54.78 1qku s LEU 549 Cb -0.06 -2.29 0.55 0.00 -2.05 0.00 0.00 46.19 42.34 1qku s LEU 549 CO 0.77 -0.10 1.00 1.41 -0.55 0.00 0.00 176.35 178.88