#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxm h ALA 307 N 0.00 1.33 0.00 1.96 0.00 -1.96 -2.72 119.26 117.87 2qxm h ALA 307 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qxm h ALA 307 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qxm h ALA 307 CO 0.00 0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 179.11 2qxm h LEU 308 N 0.00 0.00 -0.62 0.00 3.38 -1.99 -3.13 115.31 112.96 2qxm h LEU 308 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qxm h LEU 308 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qxm h LEU 308 CO 0.01 0.01 -0.61 -1.54 0.09 0.00 0.00 178.44 176.40 2qxm n SER 309 N -2.62 1.57 -4.71 -0.43 3.41 -1.05 -4.89 113.62 104.89 2qxm n SER 309 Ca 0.04 -1.28 -0.43 0.00 -0.26 0.00 0.00 58.87 56.94 2qxm n SER 309 Cb 0.48 0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 65.09 2qxm n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qxm n LEU 310 N -0.55 3.82 0.00 1.04 4.77 -1.08 -5.01 117.00 119.99 2qxm n LEU 310 Ca 0.07 1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 57.00 2qxm n LEU 310 Cb 0.39 -1.52 0.14 0.00 -2.33 0.00 0.00 43.42 40.10 2qxm n LEU 310 CO 0.31 -0.27 0.62 0.35 -1.33 0.00 0.00 177.39 177.07 2qxm n THR 311 N 0.92 0.00 0.35 -5.08 -2.24 -1.26 -4.86 114.28 102.11 2qxm n THR 311 Ca 0.06 -1.34 -0.16 0.00 -2.27 0.00 0.00 64.05 60.34 2qxm n THR 311 Cb 0.36 -1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 2qxm n THR 311 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qxm h ALA 312 N -0.94 -1.21 0.00 6.98 0.00 -1.95 0.31 119.26 122.46 2qxm h ALA 312 Ca -0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2qxm h ALA 312 Cb 1.15 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2qxm h ALA 312 CO 0.32 -1.18 -0.10 -0.44 0.00 0.00 0.00 179.25 177.86 2qxm h ASP 313 N -1.00 0.00 0.32 0.00 3.32 -1.96 -0.24 116.42 116.85 2qxm h ASP 313 Ca -0.09 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.75 2qxm h ASP 313 Cb 0.81 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 2qxm h ASP 313 CO 0.08 0.10 -0.87 1.56 -1.72 0.00 0.00 179.24 178.39 2qxm h GLN 314 N 0.00 0.40 -0.23 3.56 4.20 -1.90 -1.94 115.11 119.20 2qxm h GLN 314 Ca -0.00 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 58.34 2qxm h GLN 314 Cb 0.22 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2qxm h GLN 314 CO 0.01 1.06 0.05 1.98 -0.67 0.00 0.00 178.83 181.26 2qxm h MET 315 N 0.24 0.14 -0.48 1.46 4.05 0.13 -2.31 114.93 118.16 2qxm h MET 315 Ca -0.06 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 2qxm h MET 315 Cb 1.49 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.24 2qxm h MET 315 CO 0.15 0.09 0.03 0.28 0.23 0.00 0.00 176.91 177.69 2qxm h VAL 316 N 0.14 1.26 -0.44 -5.77 2.07 -1.19 -2.98 116.25 109.33 2qxm h VAL 316 Ca 0.10 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2qxm h VAL 316 Cb 0.10 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2qxm h VAL 316 CO -0.13 0.36 0.29 0.28 0.02 0.00 0.00 177.57 178.38 2qxm h SER 317 N 0.69 0.51 0.10 0.57 0.02 -1.26 -2.02 113.55 112.16 2qxm h SER 317 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2qxm h SER 317 Cb 0.47 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2qxm h SER 317 CO 0.02 0.38 -0.09 0.00 -1.14 0.00 0.00 176.83 176.00 2qxm h ALA 318 N 1.16 -0.18 -0.00 3.77 0.00 -1.40 -1.59 119.26 121.02 2qxm h ALA 318 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qxm h ALA 318 Cb -0.06 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qxm h ALA 318 CO -0.03 -0.61 -0.07 -0.07 0.00 0.00 0.00 179.25 178.46 2qxm h LEU 319 N -0.21 -0.19 -2.19 0.00 3.38 -1.41 0.51 115.31 115.20 2qxm h LEU 319 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qxm h LEU 319 Cb 0.19 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2qxm h LEU 319 CO -0.02 -0.10 0.07 -0.07 0.09 0.00 0.00 178.44 178.41 2qxm h LEU 320 N -0.12 0.00 0.00 1.67 3.38 -1.35 -1.62 115.31 117.27 2qxm h LEU 320 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2qxm h LEU 320 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2qxm h LEU 320 CO -0.07 0.00 -0.97 -0.78 0.09 0.00 0.00 178.44 176.71 2qxm h ASP 321 N 0.00 0.00 0.76 -0.43 3.58 -0.06 -3.21 116.42 117.05 2qxm h ASP 321 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2qxm h ASP 321 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2qxm h ASP 321 CO -0.00 0.73 -0.02 0.00 -2.88 0.00 0.00 179.24 177.07 2qxm n ALA 322 N -2.34 2.46 -1.68 -0.78 0.00 0.16 -4.95 120.51 113.39 2qxm n ALA 322 Ca -0.03 -0.14 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 2qxm n ALA 322 Cb 0.86 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 2qxm n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qxm n GLU 323 N -1.37 2.24 -1.22 0.00 -0.58 -0.85 -4.69 120.64 114.16 2qxm n GLU 323 Ca 0.11 0.80 -0.31 0.00 -0.42 0.00 0.00 57.16 57.35 2qxm n GLU 323 Cb 0.29 -2.55 0.11 0.00 -0.57 0.00 0.00 31.44 28.72 2qxm n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qxm s PRO 324 N 0.42 1.84 0.60 3.49 0.05 -1.26 -5.05 135.00 135.09 2qxm s PRO 324 Ca 0.74 1.04 -0.15 0.00 0.05 0.00 0.00 61.00 62.68 2qxm s PRO 324 Cb -0.63 -1.86 -0.03 0.00 0.05 0.00 0.00 34.50 32.03 2qxm s PRO 324 CO 0.42 -1.90 1.06 -1.25 0.05 0.00 0.00 177.00 175.37 2qxm s PRO 325 N -4.91 3.29 -0.02 0.56 0.04 -1.26 -5.04 135.00 127.66 2qxm s PRO 325 Ca 0.62 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2qxm s PRO 325 Cb -0.18 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2qxm s PRO 325 CO 0.56 -0.84 0.96 0.42 0.04 0.00 0.00 177.00 178.14 2qxm s ILE 326 N -2.50 4.88 0.04 0.56 1.01 -1.26 -5.04 121.20 118.88 2qxm s ILE 326 Ca 0.63 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.28 2qxm s ILE 326 Cb -0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2qxm s ILE 326 CO 0.38 0.15 0.15 -0.76 0.00 0.00 0.00 174.94 174.87 2qxm s LEU 327 N 1.10 4.15 0.25 2.97 1.43 -1.26 -5.01 118.68 122.31 2qxm s LEU 327 Ca 0.50 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.74 2qxm s LEU 327 Cb -0.20 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 2qxm s LEU 327 CO 0.26 0.21 0.53 -0.31 0.23 0.00 0.00 176.35 177.27 2qxm s TYR 328 N -1.39 3.46 0.50 0.29 1.51 -1.26 -4.43 117.35 116.04 2qxm s TYR 328 Ca 0.30 0.72 -0.05 0.00 -1.01 0.00 0.00 57.07 57.03 2qxm s TYR 328 Cb -0.13 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2qxm s TYR 328 CO 0.22 0.24 0.81 -1.54 -1.11 0.00 0.00 175.55 174.17 2qxm s SER 329 N -2.77 6.14 -0.13 2.29 1.04 -1.26 -4.94 113.70 114.08 2qxm s SER 329 Ca 0.45 0.89 -0.01 0.00 0.48 0.00 0.00 55.95 57.76 2qxm s SER 329 Cb -0.11 -2.15 0.05 0.00 0.10 0.00 0.00 66.02 63.91 2qxm s SER 329 CO 0.26 -0.67 2.18 -0.62 0.98 0.00 0.00 173.24 175.37 2qxm n GLU 330 N -2.32 1.42 -1.92 4.02 -0.58 -1.26 -4.90 120.64 115.09 2qxm n GLU 330 Ca 0.01 -0.72 -0.43 0.00 -0.42 0.00 0.00 57.16 55.61 2qxm n GLU 330 Cb 0.56 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 2qxm n GLU 330 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2qxm s TYR 331 N -0.60 1.75 -0.56 -0.32 6.04 -1.26 -4.93 117.35 117.47 2qxm s TYR 331 Ca 0.19 0.34 -0.14 0.00 0.04 0.00 0.00 57.07 57.50 2qxm s TYR 331 Cb 0.13 -4.02 0.14 0.00 -1.04 0.00 0.00 41.96 37.16 2qxm s TYR 331 CO -0.01 -3.69 0.50 0.34 -1.54 0.00 0.00 175.55 171.15 2qxm s ASP 332 N 5.09 6.15 0.00 4.32 2.15 -1.26 -4.96 116.67 128.16 2qxm s ASP 332 Ca 0.81 -1.94 0.00 0.00 0.43 0.00 0.00 52.55 51.85 2qxm s ASP 332 Cb -0.30 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2qxm s ASP 332 CO 0.33 -0.79 0.59 -0.81 -0.17 0.00 0.00 175.17 174.32 2qxm n PRO 333 N 5.01 0.93 0.02 4.34 -0.04 -1.26 -3.28 135.00 140.72 2qxm n PRO 333 Ca -0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2qxm n PRO 333 Cb 0.41 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2qxm n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qxm n THR 334 N -0.11 0.16 -4.34 0.52 -2.24 -1.26 -4.91 114.28 102.10 2qxm n THR 334 Ca 0.00 -0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 61.15 2qxm n THR 334 Cb 0.17 0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 2qxm n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qxm s ARG 335 N -3.34 1.27 0.65 -0.78 3.00 -1.20 -5.14 118.95 113.42 2qxm s ARG 335 Ca -0.01 -1.30 -0.15 0.00 0.00 0.00 0.00 55.73 54.27 2qxm s ARG 335 Cb 0.14 -1.59 -0.00 0.00 0.00 0.00 0.00 34.95 33.50 2qxm s ARG 335 CO 0.85 0.36 1.11 -1.25 0.00 0.00 0.00 175.30 176.37 2qxm s PRO 336 N -2.18 2.84 0.36 3.54 0.04 -1.26 -4.98 135.00 133.36 2qxm s PRO 336 Ca 0.12 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.26 2qxm s PRO 336 Cb -0.09 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2qxm s PRO 336 CO 0.06 -1.22 1.41 -0.06 0.04 0.00 0.00 177.00 177.24 2qxm s PHE 337 N -2.33 2.77 0.48 0.56 0.40 -1.26 -5.04 117.98 113.55 2qxm s PHE 337 Ca 0.67 1.27 0.07 0.00 -0.60 0.00 0.00 56.93 58.34 2qxm s PHE 337 Cb -0.20 -3.89 0.02 0.00 0.51 0.00 0.00 43.02 39.45 2qxm s PHE 337 CO 0.41 -2.54 0.46 -1.54 0.70 0.00 0.00 175.22 172.71 2qxm s SER 338 N -0.28 4.97 0.07 1.36 1.04 -1.26 -4.99 113.70 114.61 2qxm s SER 338 Ca 0.51 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 2qxm s SER 338 Cb -0.44 -0.15 -0.16 0.00 0.10 0.00 0.00 66.02 65.38 2qxm s SER 338 CO 0.59 -0.90 1.66 -0.08 0.98 0.00 0.00 173.24 175.49 2qxm h GLU 339 N 0.79 -0.02 -0.83 4.02 4.81 -1.97 -1.95 114.58 119.42 2qxm h GLU 339 Ca -0.38 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2qxm h GLU 339 Cb 1.28 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 2qxm h GLU 339 CO 0.54 0.06 0.50 0.00 -0.73 0.00 0.00 179.01 179.38 2qxm h ALA 340 N 0.88 1.06 0.27 2.92 0.00 -1.88 -2.10 119.26 120.41 2qxm h ALA 340 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2qxm h ALA 340 Cb 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2qxm h ALA 340 CO 0.00 0.52 -0.13 0.66 0.00 0.00 0.00 179.25 180.30 2qxm h SER 341 N 1.14 -0.31 -0.15 0.00 4.64 -1.88 -1.32 113.55 115.67 2qxm h SER 341 Ca 0.30 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2qxm h SER 341 Cb -0.05 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2qxm h SER 341 CO -0.06 0.05 0.10 -0.03 -0.87 0.00 0.00 176.83 176.02 2qxm h MET 342 N -0.70 0.20 -0.99 4.77 1.85 -1.30 -0.68 114.93 118.09 2qxm h MET 342 Ca -0.04 -0.01 0.14 0.00 -0.61 0.00 0.00 59.70 59.18 2qxm h MET 342 Cb 0.48 -0.04 -0.09 0.00 0.43 0.00 0.00 31.60 32.37 2qxm h MET 342 CO 0.06 0.15 0.61 0.52 -0.40 0.00 0.00 176.91 177.85 2qxm h MET 343 N 0.19 0.88 -0.38 0.39 2.07 -1.43 0.40 114.93 117.06 2qxm h MET 343 Ca 0.06 -0.05 0.07 0.00 -2.07 0.00 0.00 59.70 57.71 2qxm h MET 343 Cb -0.00 -0.20 -0.07 0.00 -1.87 0.00 0.00 31.60 29.46 2qxm h MET 343 CO -0.01 0.58 -0.04 0.78 1.07 0.00 0.00 176.91 179.29 2qxm h GLY 344 N 0.91 0.33 0.96 8.32 0.00 0.02 0.04 103.07 113.66 2qxm h GLY 344 Ca 0.51 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.94 2qxm h GLY 344 CO -0.30 -0.12 0.48 1.41 0.00 0.00 0.00 176.54 178.01 2qxm h LEU 345 N 0.06 0.82 -0.30 3.11 3.38 0.43 0.18 115.31 122.98 2qxm h LEU 345 Ca 0.19 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2qxm h LEU 345 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2qxm h LEU 345 CO -0.35 0.58 -0.35 -0.07 0.09 0.00 0.00 178.44 178.35 2qxm h LEU 346 N 0.96 0.83 -0.94 1.67 3.38 -0.76 -0.93 115.31 119.54 2qxm h LEU 346 Ca 0.28 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2qxm h LEU 346 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2qxm h LEU 346 CO -0.07 1.15 -0.42 0.71 0.09 0.00 0.00 178.44 179.90 2qxm h THR 347 N 0.54 1.01 -0.09 0.22 1.35 -0.82 0.88 112.91 116.01 2qxm h THR 347 Ca 0.04 -1.61 -0.07 0.00 -0.55 0.00 0.00 66.41 64.22 2qxm h THR 347 Cb 0.93 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2qxm h THR 347 CO 0.08 0.41 -0.22 -1.13 -0.25 0.00 0.00 175.52 174.41 2qxm h ASN 348 N 0.00 0.35 0.24 5.36 -0.73 -0.54 -2.62 115.58 117.64 2qxm h ASN 348 Ca -0.00 -0.58 -0.01 0.00 1.87 0.00 0.00 56.30 57.57 2qxm h ASN 348 Cb 0.91 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.40 2qxm h ASN 348 CO 0.05 0.87 -0.12 0.25 -0.37 0.00 0.00 177.43 178.11 2qxm h LEU 349 N -0.16 -0.30 -0.55 0.34 5.85 -0.93 -2.51 115.31 117.05 2qxm h LEU 349 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2qxm h LEU 349 Cb 0.82 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 2qxm h LEU 349 CO 0.05 -0.21 0.17 0.00 -0.34 0.00 0.00 178.44 178.11 2qxm h ALA 350 N 0.42 0.67 -0.69 1.25 0.00 -0.94 0.31 119.26 120.28 2qxm h ALA 350 Ca -0.03 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2qxm h ALA 350 Cb 0.27 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2qxm h ALA 350 CO 0.05 -0.25 0.26 0.22 0.00 0.00 0.00 179.25 179.53 2qxm h ASP 351 N 0.32 0.24 0.09 0.00 3.58 -1.26 0.15 116.42 119.53 2qxm h ASP 351 Ca 0.28 0.10 -0.25 0.00 0.42 0.00 0.00 57.03 57.58 2qxm h ASP 351 Cb 0.35 0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.50 2qxm h ASP 351 CO -0.31 0.11 -0.97 0.03 -2.88 0.00 0.00 179.24 175.22 2qxm h ARG 352 N 0.42 0.62 -0.92 0.28 3.08 -0.81 -3.16 114.38 113.90 2qxm h ARG 352 Ca 0.37 -0.64 0.06 0.00 0.07 0.00 0.00 59.98 59.84 2qxm h ARG 352 Cb 0.52 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 2qxm h ARG 352 CO -0.37 1.24 0.60 0.93 -1.07 0.00 0.00 179.97 181.30 2qxm h GLU 353 N 0.37 1.02 -0.51 0.04 5.08 -0.24 -2.93 114.58 117.41 2qxm h GLU 353 Ca -0.10 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2qxm h GLU 353 Cb 1.61 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 2qxm h GLU 353 CO 0.18 0.67 0.21 -0.07 -1.00 0.00 0.00 179.01 179.01 2qxm h LEU 354 N 1.05 0.26 -0.89 1.33 3.38 -0.70 0.53 115.31 120.27 2qxm h LEU 354 Ca 0.39 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.45 2qxm h LEU 354 Cb 0.19 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2qxm h LEU 354 CO -0.15 0.18 0.57 0.58 0.09 0.00 0.00 178.44 179.71 2qxm h VAL 355 N 0.41 1.13 -0.14 1.22 2.07 -1.56 0.48 116.25 119.86 2qxm h VAL 355 Ca 0.24 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 2qxm h VAL 355 Cb 0.22 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2qxm h VAL 355 CO -0.21 0.20 -0.59 0.45 0.02 0.00 0.00 177.57 177.43 2qxm h HIS 356 N 1.10 0.61 -0.22 1.57 3.86 -1.37 -3.17 115.15 117.53 2qxm h HIS 356 Ca 0.36 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2qxm h HIS 356 Cb 0.02 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2qxm h HIS 356 CO -0.02 0.95 0.07 1.98 0.86 0.00 0.00 177.93 181.77 2qxm h MET 357 N 0.36 0.16 -0.90 2.45 -1.53 0.16 -0.78 114.93 114.85 2qxm h MET 357 Ca -0.00 -0.01 0.15 0.00 -3.44 0.00 0.00 59.70 56.40 2qxm h MET 357 Cb 1.14 -0.04 -0.10 0.00 -0.55 0.00 0.00 31.60 32.06 2qxm h MET 357 CO 0.11 0.11 0.49 0.82 0.14 0.00 0.00 176.91 178.58 2qxm h ILE 358 N 0.16 0.75 0.00 1.77 2.04 -0.95 0.22 117.51 121.50 2qxm h ILE 358 Ca 0.10 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 2qxm h ILE 358 Cb 0.08 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2qxm h ILE 358 CO -0.11 0.13 -0.55 0.78 0.00 0.00 0.00 178.15 178.39 2qxm h ASN 359 N 0.70 0.00 -0.10 1.72 2.35 -1.38 -2.81 115.58 116.05 2qxm h ASN 359 Ca 0.49 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.22 2qxm h ASN 359 Cb 0.68 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 2qxm h ASN 359 CO -0.35 0.55 -0.03 -0.25 -1.65 0.00 0.00 177.43 175.70 2qxm h TRP 360 N 0.00 0.22 -0.69 1.19 7.01 0.77 -3.20 115.95 121.25 2qxm h TRP 360 Ca -0.01 -0.05 0.14 0.00 2.11 0.00 0.00 58.89 61.08 2qxm h TRP 360 Cb 1.11 -0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 28.02 2qxm h TRP 360 CO 0.00 0.52 0.18 0.00 -2.79 0.00 0.00 178.44 176.36 2qxm h ALA 361 N 0.67 0.88 -0.09 2.65 0.00 -0.80 0.15 119.26 122.72 2qxm h ALA 361 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2qxm h ALA 361 Cb 0.45 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2qxm h ALA 361 CO 0.01 -0.30 0.11 0.87 0.00 0.00 0.00 179.25 179.95 2qxm h LYS 362 N 0.30 0.00 -0.11 0.00 1.57 -1.49 0.19 116.57 117.03 2qxm h LYS 362 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2qxm h LYS 362 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2qxm h LYS 362 CO -0.45 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 178.97 2qxm n ARG 363 N -3.76 2.20 -2.55 3.15 1.74 0.00 -4.48 116.66 112.97 2qxm n ARG 363 Ca -0.01 -1.76 -0.43 0.00 -0.77 0.00 0.00 57.85 54.88 2qxm n ARG 363 Cb 0.21 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 2qxm n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qxm s VAL 364 N -1.89 4.26 0.28 1.55 1.01 0.05 -4.78 120.40 120.89 2qxm s VAL 364 Ca 0.32 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.41 2qxm s VAL 364 Cb 0.21 -4.39 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 2qxm s VAL 364 CO 0.31 -0.68 0.90 -2.65 0.00 0.00 0.00 175.10 172.98 2qxm n PRO 365 N 7.41 1.07 0.00 2.72 -0.02 -1.26 -0.70 135.00 144.21 2qxm n PRO 365 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2qxm n PRO 365 Cb 0.48 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2qxm n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxm n GLY 366 N 1.39 2.74 0.21 -1.23 0.00 -1.26 -4.85 105.19 102.19 2qxm n GLY 366 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 2qxm n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qxm h PHE 367 N 0.00 0.36 0.00 1.61 3.57 -1.20 -1.69 116.94 119.58 2qxm h PHE 367 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2qxm h PHE 367 Cb 0.00 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2qxm h PHE 367 CO 0.00 0.66 0.00 1.33 -2.23 0.00 0.00 178.31 178.07 2qxm n VAL 368 N -4.04 0.35 1.17 1.41 0.24 -1.26 -3.06 118.33 113.14 2qxm n VAL 368 Ca -0.01 0.09 0.10 0.00 -2.04 0.00 0.00 64.34 62.48 2qxm n VAL 368 Cb 0.47 -0.68 0.58 0.00 -1.47 0.00 0.00 33.84 32.74 2qxm n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qxm n ASP 369 N -1.49 0.00 -4.77 -1.34 8.00 -0.64 -4.85 116.55 111.46 2qxm n ASP 369 Ca 0.06 -0.37 -0.25 0.00 0.71 0.00 0.00 54.79 54.95 2qxm n ASP 369 Cb 0.27 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 2qxm n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qxm s LEU 370 N -2.26 3.67 0.55 0.64 1.43 -1.17 -5.09 118.68 116.44 2qxm s LEU 370 Ca 0.26 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 2qxm s LEU 370 Cb 0.14 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 2qxm s LEU 370 CO 0.28 0.03 1.08 0.42 0.23 0.00 0.00 176.35 178.39 2qxm s THR 371 N -1.92 3.54 0.26 5.49 -4.23 -1.26 -4.80 115.64 112.73 2qxm s THR 371 Ca 0.31 0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 61.68 2qxm s THR 371 Cb -0.09 -3.35 0.24 0.00 1.34 0.00 0.00 72.50 70.65 2qxm s THR 371 CO 0.23 -0.29 1.79 -0.07 -0.54 0.00 0.00 174.62 175.74 2qxm h LEU 372 N 1.01 0.66 -1.29 4.79 3.38 -1.98 0.14 115.31 122.02 2qxm h LEU 372 Ca -0.49 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2qxm h LEU 372 Cb 1.24 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2qxm h LEU 372 CO 0.57 0.32 0.34 0.45 0.09 0.00 0.00 178.44 180.21 2qxm h HIS 373 N 0.74 0.80 -0.15 1.13 3.86 -1.98 0.25 115.15 119.80 2qxm h HIS 373 Ca 0.46 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.54 2qxm h HIS 373 Cb 0.56 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2qxm h HIS 373 CO -0.06 0.55 -0.38 -0.44 0.86 0.00 0.00 177.93 178.46 2qxm h ASP 374 N 0.84 0.60 -0.65 2.45 3.32 -1.15 -1.17 116.42 120.66 2qxm h ASP 374 Ca 0.22 -0.58 0.01 0.00 0.02 0.00 0.00 57.03 56.70 2qxm h ASP 374 Cb 0.00 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2qxm h ASP 374 CO -0.04 1.07 0.42 1.56 -1.72 0.00 0.00 179.24 180.54 2qxm h GLN 375 N 0.16 0.85 -0.35 3.56 4.20 -0.78 0.12 115.11 122.88 2qxm h GLN 375 Ca -0.00 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.72 2qxm h GLN 375 Cb 0.99 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.52 2qxm h GLN 375 CO 0.08 0.57 -0.02 0.28 -0.67 0.00 0.00 178.83 179.08 2qxm h VAL 376 N 0.88 0.72 -0.21 -0.54 2.07 -0.45 -2.13 116.25 116.59 2qxm h VAL 376 Ca 0.24 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2qxm h VAL 376 Cb -0.09 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2qxm h VAL 376 CO -0.05 0.01 0.03 -0.74 0.02 0.00 0.00 177.57 176.85 2qxm h HIS 377 N 0.08 0.37 -0.53 1.57 -0.00 -0.36 -0.79 115.15 115.49 2qxm h HIS 377 Ca 0.17 -0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.55 2qxm h HIS 377 Cb 0.24 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 2qxm h HIS 377 CO -0.26 0.49 0.23 -0.07 -0.00 0.00 0.00 177.93 178.32 2qxm h LEU 378 N 0.15 0.29 -0.37 0.26 3.38 -0.90 -0.76 115.31 117.35 2qxm h LEU 378 Ca 0.06 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2qxm h LEU 378 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2qxm h LEU 378 CO 0.00 0.20 -0.19 -0.07 0.09 0.00 0.00 178.44 178.47 2qxm h LEU 379 N 0.44 0.81 -1.64 1.67 3.38 -1.32 -0.27 115.31 118.38 2qxm h LEU 379 Ca 0.25 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2qxm h LEU 379 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2qxm h LEU 379 CO -0.21 1.04 0.20 -0.33 0.09 0.00 0.00 178.44 179.22 2qxm h GLU 380 N 0.58 0.43 0.01 1.13 5.08 -0.87 -1.16 114.58 119.78 2qxm h GLU 380 Ca 0.08 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2qxm h GLU 380 Cb 0.74 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2qxm h GLU 380 CO 0.06 0.31 -0.16 0.00 -1.00 0.00 0.00 179.01 178.21 2qxm n ALA 382 N -2.56 3.23 -0.29 0.00 0.00 -0.15 -4.60 120.51 116.14 2qxm n ALA 382 Ca -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 52.99 2qxm n ALA 382 Cb 0.49 -1.15 0.16 0.00 0.00 0.00 0.00 19.45 18.96 2qxm n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qxm h TRP 383 N 0.67 0.86 0.02 0.00 5.08 -1.41 0.76 115.95 121.93 2qxm h TRP 383 Ca 0.00 0.03 -0.22 0.00 1.08 0.00 0.00 58.89 59.78 2qxm h TRP 383 Cb 0.49 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.38 2qxm h TRP 383 CO 0.00 0.37 -0.96 1.25 -1.28 0.00 0.00 178.44 177.82 2qxm h LEU 384 N 0.81 0.32 0.21 0.11 5.85 -1.86 -1.34 115.31 119.40 2qxm h LEU 384 Ca 0.39 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2qxm h LEU 384 Cb 0.32 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2qxm h LEU 384 CO -0.23 1.11 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.54 2qxm h GLU 385 N 0.12 -0.28 -0.48 1.25 5.08 -1.61 -0.97 114.58 117.68 2qxm h GLU 385 Ca -0.06 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2qxm h GLU 385 Cb 1.62 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.85 2qxm h GLU 385 CO 0.15 -0.19 -0.03 0.82 -1.00 0.00 0.00 179.01 178.76 2qxm h ILE 386 N -0.29 0.59 -0.65 3.13 2.04 -0.78 0.23 117.51 121.78 2qxm h ILE 386 Ca -0.03 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2qxm h ILE 386 Cb 0.22 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2qxm h ILE 386 CO 0.05 0.01 0.38 -0.07 0.00 0.00 0.00 178.15 178.52 2qxm h LEU 387 N 0.08 0.79 -0.65 1.44 3.38 -1.13 -2.47 115.31 116.75 2qxm h LEU 387 Ca 0.24 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2qxm h LEU 387 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qxm h LEU 387 CO -0.43 0.63 -0.34 0.24 0.09 0.00 0.00 178.44 178.63 2qxm h MET 388 N 0.89 0.68 -0.08 1.13 2.86 -0.46 -0.94 114.93 119.00 2qxm h MET 388 Ca 0.23 -0.32 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 2qxm h MET 388 Cb -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2qxm h MET 388 CO -0.04 0.92 -0.59 0.97 1.06 0.00 0.00 176.91 179.23 2qxm h ILE 389 N 0.57 1.38 0.29 -1.22 2.10 -0.51 -0.38 117.51 119.74 2qxm h ILE 389 Ca 0.06 -1.95 -0.01 0.00 1.08 0.00 0.00 64.86 64.04 2qxm h ILE 389 Cb 0.86 1.97 0.00 0.00 -1.09 0.00 0.00 36.82 38.56 2qxm h ILE 389 CO 0.07 0.58 -0.14 1.23 -1.08 0.00 0.00 178.15 178.81 2qxm h GLY 390 N 1.42 -0.41 0.40 8.18 0.00 -1.38 -1.72 103.07 109.56 2qxm h GLY 390 Ca -0.00 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.55 2qxm h GLY 390 CO 0.09 -0.15 0.03 -2.00 0.00 0.00 0.00 176.54 174.52 2qxm h LEU 391 N -0.49 -0.10 -0.21 3.11 5.85 -0.96 -1.06 115.31 121.45 2qxm h LEU 391 Ca -0.04 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2qxm h LEU 391 Cb 0.37 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2qxm h LEU 391 CO 0.07 -0.01 -0.00 0.58 -0.34 0.00 0.00 178.44 178.73 2qxm h VAL 392 N 0.15 0.85 -0.48 1.05 2.07 -1.07 -0.98 116.25 117.84 2qxm h VAL 392 Ca 0.20 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.76 2qxm h VAL 392 Cb 0.27 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2qxm h VAL 392 CO -0.31 0.01 0.19 -0.25 0.02 0.00 0.00 177.57 177.23 2qxm h TRP 393 N 0.06 0.34 0.00 1.57 2.91 -0.34 -0.85 115.95 119.64 2qxm h TRP 393 Ca 0.10 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2qxm h TRP 393 Cb 0.13 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 2qxm h TRP 393 CO -0.18 0.13 0.00 2.89 -1.03 0.00 0.00 178.44 180.25 2qxm n ARG 394 N -4.98 0.16 0.03 2.65 1.85 -0.50 -2.09 116.66 113.79 2qxm n ARG 394 Ca 0.04 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.19 2qxm n ARG 394 Cb 0.17 -1.70 0.35 0.00 -1.05 0.00 0.00 32.46 30.23 2qxm n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qxm n SER 395 N -1.99 0.45 -0.32 2.89 7.64 -0.39 -4.51 113.62 117.39 2qxm n SER 395 Ca 0.06 0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.96 2qxm n SER 395 Cb 0.37 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 2qxm n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qxm h MET 396 N 0.00 -0.13 -0.56 1.43 2.86 -0.71 0.44 114.93 118.26 2qxm h MET 396 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2qxm h MET 396 Cb 0.58 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2qxm h MET 396 CO 0.00 -0.08 0.00 0.39 1.06 0.00 0.00 176.91 178.28 2qxm n GLU 397 N -5.33 1.45 -3.57 1.72 -0.58 -1.26 -4.34 120.64 108.73 2qxm n GLU 397 Ca 0.02 -0.45 -0.27 0.00 -0.42 0.00 0.00 57.16 56.03 2qxm n GLU 397 Cb 0.31 -1.38 -0.09 0.00 -0.57 0.00 0.00 31.44 29.71 2qxm n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2qxm n HIS 398 N -0.02 3.54 -1.70 -0.32 8.25 0.16 -5.08 115.22 120.05 2qxm n HIS 398 Ca 0.04 -4.20 -0.55 0.00 -0.26 0.00 0.00 57.72 52.75 2qxm n HIS 398 Cb 0.26 -0.59 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 2qxm n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qxm n PRO 399 N 1.20 1.39 -0.45 -0.41 -0.02 -1.26 -1.52 135.00 133.92 2qxm n PRO 399 Ca 0.27 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2qxm n PRO 399 Cb 0.39 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2qxm n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxm n GLY 400 N 4.12 1.05 3.19 -1.23 0.00 -1.26 -5.04 105.19 106.01 2qxm n GLY 400 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 2qxm n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxm s LYS 401 N -0.40 0.87 -0.24 1.61 1.02 -0.58 -4.22 119.74 117.80 2qxm s LYS 401 Ca 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.86 2qxm s LYS 401 Cb 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 2qxm s LYS 401 CO 0.00 0.13 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.01 2qxm s LEU 402 N -2.19 3.10 -1.18 3.17 1.43 0.11 -4.82 118.68 118.29 2qxm s LEU 402 Ca 0.03 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2qxm s LEU 402 Cb -0.06 -1.71 0.21 0.00 0.03 0.00 0.00 46.19 44.66 2qxm s LEU 402 CO 0.01 -0.08 1.37 -0.11 0.23 0.00 0.00 176.35 177.77 2qxm n LEU 403 N 4.75 5.49 0.18 1.79 0.00 -1.26 -1.30 117.00 126.64 2qxm n LEU 403 Ca -0.17 -4.70 0.04 0.00 0.00 0.00 0.00 56.01 51.18 2qxm n LEU 403 Cb 0.49 -1.55 0.45 0.00 0.00 0.00 0.00 43.42 42.81 2qxm n LEU 403 CO 0.28 1.02 0.88 -0.26 0.00 0.00 0.00 177.39 179.32 2qxm h PHE 404 N 6.78 0.08 -2.43 1.96 0.04 -1.79 -3.44 116.94 118.15 2qxm h PHE 404 Ca 0.27 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.06 2qxm h PHE 404 Cb 0.84 -0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.81 2qxm h PHE 404 CO 1.00 0.26 0.32 0.00 -0.60 0.00 0.00 178.31 179.29 2qxm s ALA 405 N -4.63 -1.74 0.60 2.45 0.00 -1.22 -4.89 121.76 112.33 2qxm s ALA 405 Ca -0.04 0.93 0.29 0.00 0.00 0.00 0.00 51.96 53.14 2qxm s ALA 405 Cb 0.15 0.40 1.51 0.00 0.00 0.00 0.00 23.12 25.18 2qxm s ALA 405 CO 0.71 -0.61 1.91 -1.35 0.00 0.00 0.00 175.76 176.41 2qxm h PRO 406 N 2.27 0.00 -0.40 0.00 0.11 -1.87 0.39 132.00 132.50 2qxm h PRO 406 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2qxm h PRO 406 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 2qxm h PRO 406 CO 0.35 0.00 0.04 0.27 -0.21 0.00 0.00 178.00 178.46 2qxm n ASN 407 N -3.55 3.92 -2.96 -2.05 6.94 -1.26 -4.70 115.26 111.60 2qxm n ASN 407 Ca 0.06 -3.21 -0.15 0.00 -0.02 0.00 0.00 54.58 51.26 2qxm n ASN 407 Cb 0.59 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 37.39 2qxm n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2qxm n LEU 408 N -0.50 -1.57 -4.23 -4.53 7.94 0.13 -4.80 117.00 109.43 2qxm n LEU 408 Ca 0.28 -3.90 -0.41 0.00 -1.11 0.00 0.00 56.01 50.87 2qxm n LEU 408 Cb 1.05 0.74 -0.08 0.00 0.53 0.00 0.00 43.42 45.65 2qxm n LEU 408 CO 0.23 2.02 -0.02 -0.22 -1.11 0.00 0.00 177.39 178.28 2qxm s LEU 409 N -0.75 5.64 0.31 -1.96 2.96 -1.25 -2.21 118.68 121.42 2qxm s LEU 409 Ca 0.33 -1.82 0.08 0.00 -0.22 0.00 0.00 54.13 52.50 2qxm s LEU 409 Cb 0.18 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2qxm s LEU 409 CO -0.18 -0.68 0.18 -0.76 -1.32 0.00 0.00 176.35 173.60 2qxm s LEU 410 N 1.39 3.46 0.41 -0.68 1.43 -0.42 -4.88 118.68 119.40 2qxm s LEU 410 Ca 0.05 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2qxm s LEU 410 Cb -0.26 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2qxm s LEU 410 CO 0.00 -0.23 0.03 1.51 0.23 0.00 0.00 176.35 177.89 2qxm s ASP 411 N -3.87 3.52 0.62 2.29 1.47 -1.26 0.08 116.67 119.51 2qxm s ASP 411 Ca 0.37 -1.44 0.34 0.00 1.18 0.00 0.00 52.55 53.00 2qxm s ASP 411 Cb -0.05 -0.11 2.00 0.00 -0.34 0.00 0.00 42.92 44.42 2qxm s ASP 411 CO 0.24 -0.59 2.28 0.08 0.68 0.00 0.00 175.17 177.86 2qxm h ARG 412 N 1.77 0.00 0.00 2.11 0.11 -1.97 0.67 114.38 117.07 2qxm h ARG 412 Ca -0.43 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.59 2qxm h ARG 412 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2qxm h ARG 412 CO 0.76 0.00 -0.28 -0.91 0.10 0.00 0.00 179.97 179.64 2qxm h ASN 413 N 0.00 0.00 0.34 0.08 4.21 -1.95 -3.33 115.58 114.93 2qxm h ASN 413 Ca 0.01 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.19 2qxm h ASN 413 Cb 0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2qxm h ASN 413 CO -0.00 0.28 -1.72 1.56 -1.29 0.00 0.00 177.43 176.26 2qxm h GLN 414 N 0.00 0.22 0.00 0.81 4.20 -1.25 -3.17 115.11 115.91 2qxm h GLN 414 Ca -0.00 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2qxm h GLN 414 Cb 0.64 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2qxm h GLN 414 CO 0.04 1.04 0.00 0.41 -0.67 0.00 0.00 178.83 179.65 2qxm n GLY 415 N 1.76 -0.53 0.29 3.46 0.00 -1.22 -3.61 105.19 105.34 2qxm n GLY 415 Ca -0.22 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.80 2qxm n GLY 415 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qxm h LYS 416 N 0.00 0.26 -0.00 1.61 1.63 -1.66 -1.48 116.57 116.93 2qxm h LYS 416 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2qxm h LYS 416 Cb 0.01 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2qxm h LYS 416 CO 0.00 0.17 -0.01 0.00 -3.45 0.00 0.00 179.45 176.16 2qxm s VAL 418 N -2.67 4.83 -0.16 0.00 1.01 -0.56 -3.95 120.40 118.90 2qxm s VAL 418 Ca 0.25 0.19 -0.35 0.00 0.00 0.00 0.00 61.98 62.07 2qxm s VAL 418 Cb 0.20 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 2qxm s VAL 418 CO 0.48 -0.55 1.91 1.21 0.00 0.00 0.00 175.10 178.15 2qxm n GLU 419 N 6.23 1.88 -0.69 2.72 2.13 -1.26 -1.95 120.64 129.71 2qxm n GLU 419 Ca -0.02 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.48 2qxm n GLU 419 Cb 0.48 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2qxm n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qxm n GLY 420 N 4.66 0.73 0.07 8.31 0.00 -1.26 -4.92 105.19 112.79 2qxm n GLY 420 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 2qxm n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qxm h MET 421 N 2.59 0.05 -0.89 1.61 -1.53 -1.65 -3.38 114.93 111.74 2qxm h MET 421 Ca 0.00 -0.09 0.02 0.00 -3.44 0.00 0.00 59.70 56.19 2qxm h MET 421 Cb 0.00 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.04 2qxm h MET 421 CO 0.00 0.91 0.59 -0.24 0.14 0.00 0.00 176.91 178.31 2qxm h VAL 422 N 0.01 1.20 -0.52 -5.77 3.04 -1.79 -0.61 116.25 111.81 2qxm h VAL 422 Ca -0.11 -0.41 0.07 0.00 -1.01 0.00 0.00 66.70 65.24 2qxm h VAL 422 Cb 1.87 -0.08 -0.06 0.00 -2.01 0.00 0.00 31.29 31.01 2qxm h VAL 422 CO 0.13 0.22 0.21 -0.33 -1.01 0.00 0.00 177.57 176.78 2qxm h GLU 423 N 1.18 0.39 -0.20 4.17 3.07 -1.98 0.18 114.58 121.39 2qxm h GLU 423 Ca 0.34 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.06 2qxm h GLU 423 Cb -0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 2qxm h GLU 423 CO -0.08 0.26 -0.36 0.82 -1.40 0.00 0.00 179.01 178.24 2qxm h ILE 424 N 0.40 1.29 -0.05 3.13 2.04 -1.51 -2.31 117.51 120.51 2qxm h ILE 424 Ca 0.25 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 2qxm h ILE 424 Cb 0.25 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2qxm h ILE 424 CO -0.23 0.46 0.03 0.15 0.00 0.00 0.00 178.15 178.55 2qxm h PHE 425 N 0.37 0.07 -0.45 1.37 3.57 -0.22 -1.55 116.94 120.10 2qxm h PHE 425 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2qxm h PHE 425 Cb 0.81 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2qxm h PHE 425 CO 0.03 0.09 0.20 -0.44 -2.23 0.00 0.00 178.31 175.96 2qxm h ASP 426 N 0.02 0.25 -0.31 0.41 3.32 -0.57 -0.29 116.42 119.24 2qxm h ASP 426 Ca 0.02 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.14 2qxm h ASP 426 Cb 0.05 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2qxm h ASP 426 CO -0.00 0.18 0.09 0.24 -1.72 0.00 0.00 179.24 178.03 2qxm h MET 427 N 0.39 0.21 -0.52 3.56 2.86 -1.27 -0.14 114.93 120.02 2qxm h MET 427 Ca 0.20 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2qxm h MET 427 Cb 0.15 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2qxm h MET 427 CO -0.17 0.14 0.05 -0.07 1.06 0.00 0.00 176.91 177.92 2qxm h LEU 428 N 0.22 0.86 -1.66 1.22 3.38 -0.78 -0.17 115.31 118.38 2qxm h LEU 428 Ca 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2qxm h LEU 428 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qxm h LEU 428 CO -0.16 0.92 -0.18 -0.07 0.09 0.00 0.00 178.44 179.04 2qxm h LEU 429 N 0.77 0.00 -0.09 1.67 3.38 -0.91 -1.43 115.31 118.70 2qxm h LEU 429 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2qxm h LEU 429 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2qxm h LEU 429 CO 0.02 0.18 -0.10 0.00 0.09 0.00 0.00 178.44 178.63 2qxm h ALA 430 N 1.82 0.13 -0.78 1.53 0.00 0.09 -1.10 119.26 120.95 2qxm h ALA 430 Ca -0.00 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2qxm h ALA 430 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2qxm h ALA 430 CO 0.02 -0.03 0.51 1.15 0.00 0.00 0.00 179.25 180.90 2qxm h THR 431 N -0.20 1.08 -0.15 0.00 2.02 -0.84 -0.96 112.91 113.86 2qxm h THR 431 Ca 0.01 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 2qxm h THR 431 Cb 0.62 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2qxm h THR 431 CO 0.02 0.16 -0.09 -1.28 0.37 0.00 0.00 175.52 174.71 2qxm h SER 432 N 0.90 0.33 -0.57 4.18 0.87 -1.03 -0.25 113.55 117.98 2qxm h SER 432 Ca 0.32 -0.43 0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2qxm h SER 432 Cb 0.15 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2qxm h SER 432 CO -0.10 0.69 0.38 0.28 -0.53 0.00 0.00 176.83 177.55 2qxm h SER 433 N -0.03 0.45 0.30 6.23 0.02 -0.86 0.56 113.55 120.21 2qxm h SER 433 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2qxm h SER 433 Cb 0.58 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2qxm h SER 433 CO 0.03 0.29 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.77 2qxm h ARG 434 N 0.51 -0.38 -0.88 3.45 9.65 -0.61 -0.74 114.38 125.38 2qxm h ARG 434 Ca 0.25 0.03 0.10 0.00 -1.10 0.00 0.00 59.98 59.26 2qxm h ARG 434 Cb 0.34 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.93 2qxm h ARG 434 CO -0.07 -0.09 0.52 0.74 2.80 0.00 0.00 179.97 183.87 2qxm h PHE 435 N -0.67 0.94 0.06 2.20 0.04 -0.77 -0.57 116.94 118.17 2qxm h PHE 435 Ca -0.04 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2qxm h PHE 435 Cb 0.47 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2qxm h PHE 435 CO 0.01 0.38 -0.03 -0.09 -0.60 0.00 0.00 178.31 177.98 2qxm h ARG 436 N 0.85 -0.08 -0.36 1.51 2.43 -0.82 0.11 114.38 118.03 2qxm h ARG 436 Ca 0.43 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 2qxm h ARG 436 Cb 0.41 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2qxm h ARG 436 CO -0.26 -0.01 0.18 1.98 -1.51 0.00 0.00 179.97 180.35 2qxm h MET 437 N -0.13 0.49 0.00 0.20 4.05 -0.61 -0.26 114.93 118.67 2qxm h MET 437 Ca -0.01 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2qxm h MET 437 Cb 0.11 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2qxm h MET 437 CO 0.01 0.38 -0.33 0.52 0.23 0.00 0.00 176.91 177.73 2qxm h MET 438 N 0.50 0.00 -2.86 0.39 2.86 -0.94 -3.48 114.93 111.40 2qxm h MET 438 Ca 0.13 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2qxm h MET 438 Cb 0.05 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.75 2qxm h MET 438 CO -0.02 0.00 -0.22 -1.71 1.06 0.00 0.00 176.91 176.02 2qxm n ASN 439 N -2.35 -2.53 -4.67 1.22 5.15 0.23 -4.93 115.26 107.38 2qxm n ASN 439 Ca 0.04 -0.18 -0.45 0.00 -0.60 0.00 0.00 54.58 53.39 2qxm n ASN 439 Cb 0.46 -1.90 -0.03 0.00 -0.53 0.00 0.00 39.78 37.78 2qxm n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qxm n LEU 440 N -1.92 3.04 -4.94 1.20 7.94 -0.23 -4.97 117.00 117.12 2qxm n LEU 440 Ca -0.05 1.12 -0.26 0.00 -1.11 0.00 0.00 56.01 55.71 2qxm n LEU 440 Cb 0.54 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 2qxm n LEU 440 CO 0.19 -0.45 -0.03 -1.10 -1.11 0.00 0.00 177.39 174.89 2qxm s GLN 441 N 0.01 3.47 0.13 1.96 -1.52 -1.26 -4.97 119.66 117.49 2qxm s GLN 441 Ca 0.72 -0.51 -0.25 0.00 -1.95 0.00 0.00 55.36 53.37 2qxm s GLN 441 Cb -0.67 -2.89 -0.03 0.00 -0.22 0.00 0.00 33.01 29.21 2qxm s GLN 441 CO 0.46 0.44 1.62 0.78 -0.25 0.00 0.00 175.29 178.35 2qxm h GLY 442 N 1.86 -0.37 0.29 3.09 0.00 -1.98 0.17 103.07 106.12 2qxm h GLY 442 Ca -0.49 0.34 0.22 0.00 0.00 0.00 0.00 47.33 47.40 2qxm h GLY 442 CO 0.67 -0.21 0.60 0.83 0.00 0.00 0.00 176.54 178.43 2qxm h GLU 443 N -0.37 0.25 0.11 4.80 3.07 -1.97 0.28 114.58 120.75 2qxm h GLU 443 Ca 0.09 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.67 2qxm h GLU 443 Cb 0.50 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2qxm h GLU 443 CO -0.30 0.16 -1.21 0.93 -1.40 0.00 0.00 179.01 177.19 2qxm h GLU 444 N 0.25 0.22 0.22 2.33 5.08 -1.73 -3.20 114.58 117.76 2qxm h GLU 444 Ca 0.45 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2qxm h GLU 444 Cb 1.35 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2qxm h GLU 444 CO -0.12 1.18 -0.10 0.35 -1.00 0.00 0.00 179.01 179.32 2qxm h PHE 445 N 0.06 -0.27 -0.39 4.33 3.57 0.13 -1.00 116.94 123.38 2qxm h PHE 445 Ca -0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 2qxm h PHE 445 Cb 1.94 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.75 2qxm h PHE 445 CO 0.05 -0.05 0.15 -0.39 -2.23 0.00 0.00 178.31 175.84 2qxm h VAL 446 N -0.44 1.15 0.19 1.41 -1.51 -1.33 -0.29 116.25 115.43 2qxm h VAL 446 Ca -0.03 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 2qxm h VAL 446 Cb 0.34 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2qxm h VAL 446 CO 0.05 0.18 -0.11 0.00 -1.23 0.00 0.00 177.57 176.46 2qxm h LEU 448 N -0.29 0.21 -0.77 0.00 3.38 -0.36 0.31 115.31 117.78 2qxm h LEU 448 Ca -0.02 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2qxm h LEU 448 Cb 0.24 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2qxm h LEU 448 CO 0.02 0.09 -0.12 0.50 0.09 0.00 0.00 178.44 179.02 2qxm h LYS 449 N 0.40 0.81 -0.17 1.13 3.64 -0.90 0.01 116.57 121.49 2qxm h LYS 449 Ca 0.38 -0.28 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 2qxm h LYS 449 Cb 0.55 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qxm h LYS 449 CO -0.39 0.89 -0.71 0.77 -2.27 0.00 0.00 179.45 177.74 2qxm h SER 450 N 0.73 0.83 0.02 4.20 0.02 -0.64 -2.87 113.55 115.83 2qxm h SER 450 Ca 0.12 -0.52 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 2qxm h SER 450 Cb 0.61 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2qxm h SER 450 CO 0.04 1.30 -0.25 0.40 -1.14 0.00 0.00 176.83 177.18 2qxm h ILE 451 N 0.50 0.44 -1.00 3.27 2.04 -0.52 -2.32 117.51 119.92 2qxm h ILE 451 Ca -0.03 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.03 2qxm h ILE 451 Cb 1.32 0.44 -0.11 0.00 -0.74 0.00 0.00 36.82 37.72 2qxm h ILE 451 CO 0.14 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.30 2qxm h ILE 452 N -0.39 0.68 -0.15 -0.67 2.04 -0.97 0.26 117.51 118.30 2qxm h ILE 452 Ca 0.06 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 2qxm h ILE 452 Cb 0.47 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2qxm h ILE 452 CO -0.21 0.13 -0.27 0.25 0.00 0.00 0.00 178.15 178.06 2qxm h LEU 453 N 0.73 0.50 -0.22 1.44 5.85 -1.23 -2.41 115.31 119.96 2qxm h LEU 453 Ca 0.59 -0.54 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 2qxm h LEU 453 Cb 0.95 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2qxm h LEU 453 CO -0.40 0.94 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.22 2qxm h LEU 454 N 0.07 0.70 0.44 2.25 3.38 -1.00 -3.40 115.31 117.74 2qxm h LEU 454 Ca 0.01 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2qxm h LEU 454 Cb 0.85 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qxm h LEU 454 CO 0.06 1.09 -0.21 -1.13 0.09 0.00 0.00 178.44 178.34 2qxm h ASN 455 N 0.33 -0.50 -0.80 -0.43 -1.24 -0.50 -3.33 115.58 109.12 2qxm h ASN 455 Ca 0.02 -0.03 0.23 0.00 0.71 0.00 0.00 56.30 57.22 2qxm h ASN 455 Cb 0.95 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 40.09 2qxm h ASN 455 CO 0.08 -0.07 0.82 0.28 -1.29 0.00 0.00 177.43 177.26 2qxm h SER 456 N -1.11 0.00 0.00 1.15 0.02 -1.64 0.19 113.55 112.15 2qxm h SER 456 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2qxm h SER 456 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2qxm h SER 456 CO 0.10 0.00 -0.02 0.61 -1.14 0.00 0.00 176.83 176.37 2qxm n GLY 457 N -1.62 2.79 0.14 -3.77 0.00 -1.26 -4.71 105.19 96.76 2qxm n GLY 457 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2qxm n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qxm h VAL 458 N 0.66 1.44 -0.14 1.61 3.04 -0.73 -3.05 116.25 119.07 2qxm h VAL 458 Ca 0.00 -2.58 -0.04 0.00 -1.01 0.00 0.00 66.70 63.07 2qxm h VAL 458 Cb 0.74 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.51 2qxm h VAL 458 CO 0.00 0.76 -0.10 1.88 -1.01 0.00 0.00 177.57 179.10 2qxm h TYR 459 N 0.18 0.22 -0.73 3.17 0.05 -1.84 -2.29 116.97 115.72 2qxm h TYR 459 Ca -0.08 -0.02 -0.40 0.00 0.05 0.00 0.00 58.73 58.28 2qxm h TYR 459 Cb 1.62 -0.06 -0.22 0.00 1.01 0.00 0.00 36.73 39.07 2qxm h TYR 459 CO 0.05 0.32 0.52 0.25 -1.05 0.00 0.00 178.16 178.25 2qxm n THR 460 N -4.31 2.73 -1.94 -2.88 -2.24 -1.16 -5.25 114.28 99.24 2qxm n THR 460 Ca -0.01 -1.58 -0.08 0.00 -2.27 0.00 0.00 64.05 60.11 2qxm n THR 460 Cb 0.24 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.78 2qxm n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qxm n PHE 461 N -0.62 -3.54 -0.00 4.78 3.01 -0.86 -5.06 117.46 115.16 2qxm n PHE 461 Ca 0.44 -0.49 -0.00 0.00 1.01 0.00 0.00 57.45 58.42 2qxm n PHE 461 Cb 1.22 -0.27 -0.00 0.00 -0.01 0.00 0.00 39.48 40.42 2qxm n PHE 461 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2qxm n THR 465 N -2.14 0.03 -0.03 4.37 -1.04 -1.26 -5.10 114.28 109.11 2qxm n THR 465 Ca 0.05 0.49 -0.03 0.00 -2.04 0.00 0.00 64.05 62.52 2qxm n THR 465 Cb 0.19 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.12 2qxm n THR 465 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qxm n LEU 466 N -2.31 0.05 0.00 -4.42 4.32 -1.26 -4.36 117.00 109.02 2qxm n LEU 466 Ca -0.00 -0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 2qxm n LEU 466 Cb 0.01 0.16 0.63 0.00 -1.62 0.00 0.00 43.42 42.60 2qxm n LEU 466 CO 0.00 0.17 0.93 0.29 -1.22 0.00 0.00 177.39 177.57 2qxm n LYS 467 N -2.25 0.29 0.02 3.23 5.02 -1.26 -3.49 118.16 119.72 2qxm n LYS 467 Ca -0.11 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 2qxm n LYS 467 Cb 0.72 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 2qxm n LYS 467 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2qxm h SER 468 N 0.00 0.38 0.85 4.39 0.02 -2.00 -2.95 113.55 114.24 2qxm h SER 468 Ca 0.00 -0.91 -0.09 0.00 -0.84 0.00 0.00 61.79 59.95 2qxm h SER 468 Cb 0.29 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2qxm h SER 468 CO 0.00 1.26 -0.44 -0.07 -1.14 0.00 0.00 176.83 176.44 2qxm h LEU 469 N -0.43 0.00 -0.32 5.07 3.38 -1.78 -0.82 115.31 120.41 2qxm h LEU 469 Ca -0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 2qxm h LEU 469 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2qxm h LEU 469 CO 0.11 0.44 -0.63 -0.33 0.09 0.00 0.00 178.44 178.12 2qxm h GLU 470 N 0.00 0.74 0.06 1.13 4.39 -1.67 -1.78 114.58 117.44 2qxm h GLU 470 Ca -0.00 -0.52 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 2qxm h GLU 470 Cb 0.98 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2qxm h GLU 470 CO 0.06 1.14 -0.03 0.93 -1.16 0.00 0.00 179.01 179.95 2qxm h GLU 471 N 0.55 -0.07 -0.64 2.33 4.39 -1.31 0.52 114.58 120.34 2qxm h GLU 471 Ca -0.01 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.81 2qxm h GLU 471 Cb 1.23 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 2qxm h GLU 471 CO 0.13 0.32 -0.32 -0.22 -1.16 0.00 0.00 179.01 177.76 2qxm h LYS 472 N -0.48 -0.12 -0.23 2.33 3.64 -1.26 -1.83 116.57 118.61 2qxm h LYS 472 Ca -0.01 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2qxm h LYS 472 Cb 0.43 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2qxm h LYS 472 CO 0.01 -0.08 -0.19 0.22 -2.27 0.00 0.00 179.45 177.14 2qxm h ASP 473 N -0.13 0.41 0.01 4.20 3.58 -1.18 -1.18 116.42 122.13 2qxm h ASP 473 Ca 0.26 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2qxm h ASP 473 Cb 0.55 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2qxm h ASP 473 CO -0.71 0.62 -0.01 -0.74 -2.88 0.00 0.00 179.24 175.52 2qxm h HIS 474 N 0.38 -0.01 -0.69 0.28 2.76 -0.60 -0.80 115.15 116.47 2qxm h HIS 474 Ca 0.06 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2qxm h HIS 474 Cb 0.56 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2qxm h HIS 474 CO 0.02 0.04 0.30 0.82 -1.30 0.00 0.00 177.93 177.80 2qxm h ILE 475 N -0.06 1.23 -0.57 6.26 2.04 -0.77 -1.22 117.51 124.43 2qxm h ILE 475 Ca -0.00 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2qxm h ILE 475 Cb 0.05 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2qxm h ILE 475 CO 0.00 0.28 0.15 0.45 0.00 0.00 0.00 178.15 179.04 2qxm h HIS 476 N 0.99 0.94 -0.90 1.37 3.86 -1.05 0.23 115.15 120.59 2qxm h HIS 476 Ca 0.24 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2qxm h HIS 476 Cb 0.16 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 2qxm h HIS 476 CO 0.01 0.80 0.59 0.00 0.86 0.00 0.00 177.93 180.20 2qxm h ARG 477 N 0.81 1.19 -0.36 2.45 3.08 -0.42 -0.53 114.38 120.60 2qxm h ARG 477 Ca 0.18 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 2qxm h ARG 477 Cb 0.32 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2qxm h ARG 477 CO -0.00 0.79 -0.16 0.28 -1.07 0.00 0.00 179.97 179.81 2qxm h VAL 478 N 1.22 1.28 -0.60 2.04 2.07 -0.94 -2.10 116.25 119.22 2qxm h VAL 478 Ca 0.33 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2qxm h VAL 478 Cb -0.14 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2qxm h VAL 478 CO -0.07 0.42 0.33 -0.07 0.02 0.00 0.00 177.57 178.20 2qxm h LEU 479 N 0.53 0.74 -0.39 2.57 3.38 -0.58 -2.00 115.31 119.56 2qxm h LEU 479 Ca 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qxm h LEU 479 Cb 0.70 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2qxm h LEU 479 CO 0.05 0.59 0.22 0.44 0.09 0.00 0.00 178.44 179.83 2qxm h ASP 480 N 0.84 0.48 -0.66 -0.43 3.32 -0.76 -1.41 116.42 117.80 2qxm h ASP 480 Ca 0.22 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.28 2qxm h ASP 480 Cb 0.02 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 2qxm h ASP 480 CO -0.04 0.42 0.30 0.11 -1.72 0.00 0.00 179.24 178.32 2qxm h LYS 481 N 0.50 0.50 -0.09 3.56 1.57 -0.70 0.66 116.57 122.57 2qxm h LYS 481 Ca 0.14 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2qxm h LYS 481 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qxm h LYS 481 CO -0.02 0.33 -0.33 0.82 -0.57 0.00 0.00 179.45 179.68 2qxm h ILE 482 N 0.52 1.27 -0.12 1.86 2.04 -1.09 0.26 117.51 122.25 2qxm h ILE 482 Ca 0.33 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2qxm h ILE 482 Cb 0.37 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2qxm h ILE 482 CO -0.28 0.38 0.04 0.74 0.00 0.00 0.00 178.15 179.03 2qxm h THR 483 N 0.15 1.16 -0.77 -0.27 2.02 -0.65 0.12 112.91 114.68 2qxm h THR 483 Ca 0.02 -0.50 0.12 0.00 0.77 0.00 0.00 66.41 66.82 2qxm h THR 483 Cb 0.66 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 2qxm h THR 483 CO 0.05 0.15 0.51 0.44 0.37 0.00 0.00 175.52 177.04 2qxm h ASP 484 N 0.03 0.55 -0.14 4.18 3.32 -0.17 -1.91 116.42 122.28 2qxm h ASP 484 Ca 0.04 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.89 2qxm h ASP 484 Cb 0.19 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2qxm h ASP 484 CO -0.00 0.31 -0.78 0.74 -1.72 0.00 0.00 179.24 177.79 2qxm h THR 485 N 0.60 1.28 -0.68 0.35 2.02 0.03 -1.58 112.91 114.93 2qxm h THR 485 Ca 0.37 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 2qxm h THR 485 Cb 0.61 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 2qxm h THR 485 CO -0.14 0.63 0.38 -0.07 0.37 0.00 0.00 175.52 176.69 2qxm h LEU 486 N 0.54 0.83 0.34 2.58 3.38 -0.13 -1.76 115.31 121.09 2qxm h LEU 486 Ca -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qxm h LEU 486 Cb 1.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qxm h LEU 486 CO 0.16 0.66 -0.16 0.40 0.09 0.00 0.00 178.44 179.59 2qxm h ILE 487 N 0.94 0.35 -0.42 1.22 1.08 -1.27 -2.24 117.51 117.16 2qxm h ILE 487 Ca 0.24 -0.74 0.04 0.00 -0.39 0.00 0.00 64.86 64.01 2qxm h ILE 487 Cb 0.01 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 2qxm h ILE 487 CO -0.04 0.08 -0.24 1.57 -0.69 0.00 0.00 178.15 178.83 2qxm n HIS 488 N -5.09 -0.17 0.01 1.37 -0.00 -0.61 -0.50 115.22 110.24 2qxm n HIS 488 Ca -0.08 0.53 -0.11 0.00 0.46 0.00 0.00 57.72 58.52 2qxm n HIS 488 Cb 0.25 -0.55 -0.04 0.00 -0.12 0.00 0.00 29.99 29.53 2qxm n HIS 488 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2qxm h LEU 489 N 0.00 -1.03 -0.43 0.27 3.38 -1.16 0.27 115.31 116.61 2qxm h LEU 489 Ca 0.08 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2qxm h LEU 489 Cb 0.18 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2qxm h LEU 489 CO -0.40 -0.37 0.16 0.24 0.09 0.00 0.00 178.44 178.16 2qxm h MET 490 N -0.42 0.66 -0.21 1.13 2.86 -0.17 0.16 114.93 118.94 2qxm h MET 490 Ca 0.09 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 2qxm h MET 490 Cb 0.56 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 2qxm h MET 490 CO -0.35 0.62 -0.39 0.00 1.06 0.00 0.00 176.91 177.85 2qxm h ALA 491 N 1.00 -0.47 -0.64 6.32 0.00 -0.71 -1.08 119.26 123.69 2qxm h ALA 491 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2qxm h ALA 491 Cb 0.22 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2qxm h ALA 491 CO -0.01 -0.86 0.42 -0.22 0.00 0.00 0.00 179.25 178.58 2qxm h LYS 492 N -0.41 0.54 0.00 0.00 3.64 -0.41 0.49 116.57 120.42 2qxm h LYS 492 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2qxm h LYS 492 Cb 0.59 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2qxm h LYS 492 CO -0.44 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.10 2qxm n ALA 493 N -2.49 1.88 -0.80 5.00 0.00 0.52 -4.82 120.51 119.80 2qxm n ALA 493 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2qxm n ALA 493 Cb 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2qxm n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxm n GLY 494 N -0.19 0.51 3.77 0.00 0.00 0.17 -5.04 105.19 104.40 2qxm n GLY 494 Ca 0.08 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2qxm n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qxm s LEU 495 N 0.00 4.33 0.84 0.99 1.02 -0.76 -5.03 118.68 120.07 2qxm s LEU 495 Ca 0.00 2.04 -0.11 0.00 0.02 0.00 0.00 54.13 56.08 2qxm s LEU 495 Cb 0.00 -3.96 0.10 0.00 0.02 0.00 0.00 46.19 42.35 2qxm s LEU 495 CO 0.00 -0.26 1.11 0.42 0.02 0.00 0.00 176.35 177.64 2qxm s THR 496 N -1.49 2.81 0.25 5.49 -4.23 -1.26 -4.57 115.64 112.64 2qxm s THR 496 Ca 0.51 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 61.26 2qxm s THR 496 Cb -0.24 -2.59 0.23 0.00 1.34 0.00 0.00 72.50 71.24 2qxm s THR 496 CO 0.30 -0.35 1.77 0.25 -0.54 0.00 0.00 174.62 176.06 2qxm h LEU 497 N -1.46 0.52 -0.27 4.79 6.46 -1.99 -0.49 115.31 122.87 2qxm h LEU 497 Ca -0.45 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2qxm h LEU 497 Cb 1.25 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 2qxm h LEU 497 CO 0.49 0.24 0.11 -0.61 -0.62 0.00 0.00 178.44 178.05 2qxm h GLN 498 N 0.63 0.41 -0.18 1.25 4.15 -2.01 -2.81 115.11 116.55 2qxm h GLN 498 Ca 0.43 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.73 2qxm h GLN 498 Cb 0.57 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2qxm h GLN 498 CO -0.33 0.44 -0.12 1.96 -1.93 0.00 0.00 178.83 178.85 2qxm h GLN 499 N 0.29 0.28 0.25 1.69 4.20 -1.75 -1.66 115.11 118.41 2qxm h GLN 499 Ca 0.09 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qxm h GLN 499 Cb 0.18 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2qxm h GLN 499 CO -0.01 0.41 -0.26 1.96 -0.67 0.00 0.00 178.83 180.26 2qxm h GLN 500 N 0.27 -0.53 0.00 1.46 4.20 -0.85 0.13 115.11 119.78 2qxm h GLN 500 Ca 0.05 0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 2qxm h GLN 500 Cb 0.38 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2qxm h GLN 500 CO 0.02 -0.36 -0.73 1.12 -0.67 0.00 0.00 178.83 178.22 2qxm h HIS 501 N -0.55 0.00 -0.39 2.96 2.07 -1.38 0.14 115.15 117.99 2qxm h HIS 501 Ca -0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 2qxm h HIS 501 Cb 0.52 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.47 2qxm h HIS 501 CO -0.18 0.73 0.24 1.96 -3.07 0.00 0.00 177.93 177.61 2qxm h GLN 502 N 0.00 0.48 0.06 5.12 4.20 -1.29 -1.64 115.11 122.03 2qxm h GLN 502 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2qxm h GLN 502 Cb 1.46 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2qxm h GLN 502 CO 0.09 0.31 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.45 2qxm h ARG 503 N 0.49 -0.08 -0.90 1.46 2.43 -0.28 -2.08 114.38 115.42 2qxm h ARG 503 Ca 0.15 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.52 2qxm h ARG 503 Cb -0.02 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.43 2qxm h ARG 503 CO -0.05 0.21 0.45 1.25 -1.51 0.00 0.00 179.97 180.32 2qxm h LEU 504 N -0.38 0.47 -0.54 3.80 5.85 -0.74 0.18 115.31 123.95 2qxm h LEU 504 Ca -0.01 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2qxm h LEU 504 Cb 0.33 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2qxm h LEU 504 CO 0.01 0.11 0.30 0.00 -0.34 0.00 0.00 178.44 178.53 2qxm h ALA 505 N 1.65 0.69 -0.25 1.25 0.00 -1.11 -2.39 119.26 119.10 2qxm h ALA 505 Ca 0.54 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 2qxm h ALA 505 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2qxm h ALA 505 CO -0.45 0.21 -0.16 1.96 0.00 0.00 0.00 179.25 180.80 2qxm h GLN 506 N 0.72 0.43 0.19 0.00 4.20 0.04 -0.95 115.11 119.74 2qxm h GLN 506 Ca 0.19 -0.13 -0.28 0.00 0.06 0.00 0.00 58.65 58.49 2qxm h GLN 506 Cb 0.04 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 27.80 2qxm h GLN 506 CO -0.03 0.59 -1.26 -0.07 -0.67 0.00 0.00 178.83 177.39 2qxm h LEU 507 N 0.40 0.63 -1.39 1.46 3.38 -1.32 -2.71 115.31 115.75 2qxm h LEU 507 Ca 0.07 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.06 2qxm h LEU 507 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2qxm h LEU 507 CO 0.03 1.59 -0.14 -0.07 0.09 0.00 0.00 178.44 179.95 2qxm h LEU 508 N -0.11 0.22 -1.09 1.67 3.38 -1.38 -1.34 115.31 116.67 2qxm h LEU 508 Ca -0.23 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2qxm h LEU 508 Cb 1.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2qxm h LEU 508 CO 0.19 0.39 -0.42 -0.07 0.09 0.00 0.00 178.44 178.62 2qxm h LEU 509 N 0.22 0.00 -1.60 1.67 3.38 -1.19 -2.60 115.31 115.19 2qxm h LEU 509 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2qxm h LEU 509 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qxm h LEU 509 CO 0.02 0.42 -0.22 0.40 0.09 0.00 0.00 178.44 179.16 2qxm h ILE 510 N 0.00 1.03 -0.44 1.22 2.04 -0.91 -2.77 117.51 117.69 2qxm h ILE 510 Ca -0.00 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2qxm h ILE 510 Cb 0.82 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2qxm h ILE 510 CO 0.05 0.21 0.15 -0.07 0.00 0.00 0.00 178.15 178.50 2qxm h LEU 511 N 0.00 0.57 -0.73 1.44 3.38 -1.29 -2.35 115.31 116.33 2qxm h LEU 511 Ca -0.00 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2qxm h LEU 511 Cb 0.41 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2qxm h LEU 511 CO 0.03 0.54 0.47 0.28 0.09 0.00 0.00 178.44 179.85 2qxm h SER 512 N 0.63 0.80 0.43 -0.43 0.02 -1.58 0.13 113.55 113.55 2qxm h SER 512 Ca 0.15 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2qxm h SER 512 Cb 0.16 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2qxm h SER 512 CO -0.01 0.57 -0.24 -0.74 -1.14 0.00 0.00 176.83 175.26 2qxm h HIS 513 N 0.95 0.00 -0.01 3.45 -0.00 -1.54 -1.60 115.15 116.39 2qxm h HIS 513 Ca 0.28 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.40 2qxm h HIS 513 Cb -0.06 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2qxm h HIS 513 CO -0.03 0.24 -0.99 0.82 -0.00 0.00 0.00 177.93 177.97 2qxm h ILE 514 N 0.00 1.32 -0.76 6.26 2.04 -0.81 0.43 117.51 125.98 2qxm h ILE 514 Ca -0.00 -2.29 0.02 0.00 1.00 0.00 0.00 64.86 63.59 2qxm h ILE 514 Cb 0.52 2.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.92 2qxm h ILE 514 CO 0.03 0.70 0.50 -0.09 0.00 0.00 0.00 178.15 179.29 2qxm h ARG 515 N 0.35 0.97 -0.18 2.37 9.65 -0.64 0.21 114.38 127.12 2qxm h ARG 515 Ca -0.11 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.66 2qxm h ARG 515 Cb 1.64 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 2qxm h ARG 515 CO 0.19 0.64 -0.11 1.25 2.80 0.00 0.00 179.97 184.75 2qxm h HIS 516 N 1.00 0.46 -0.68 2.20 2.76 -1.11 -1.31 115.15 118.48 2qxm h HIS 516 Ca 0.29 -0.12 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 2qxm h HIS 516 Cb -0.07 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.74 2qxm h HIS 516 CO -0.02 0.71 0.45 0.52 -1.30 0.00 0.00 177.93 178.29 2qxm h MET 517 N 0.07 0.70 0.17 5.26 2.86 -0.02 -2.61 114.93 121.37 2qxm h MET 517 Ca 0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2qxm h MET 517 Cb 0.60 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2qxm h MET 517 CO 0.03 0.46 -0.08 1.03 1.06 0.00 0.00 176.91 179.41 2qxm h SER 518 N 0.72 -0.19 -0.68 1.22 0.87 -0.44 0.10 113.55 115.15 2qxm h SER 518 Ca 0.29 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2qxm h SER 518 Cb 0.22 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 2qxm h SER 518 CO -0.09 -0.06 0.41 0.78 -0.53 0.00 0.00 176.83 177.35 2qxm h ASN 519 N -0.31 0.66 -0.23 6.23 2.35 -0.93 0.36 115.58 123.72 2qxm h ASN 519 Ca -0.02 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 2qxm h ASN 519 Cb 0.24 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2qxm h ASN 519 CO 0.04 0.45 -0.32 0.11 -1.65 0.00 0.00 177.43 176.06 2qxm h LYS 520 N 0.80 0.74 -0.61 0.81 1.79 -1.46 -2.33 116.57 116.31 2qxm h LYS 520 Ca 0.28 -0.34 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2qxm h LYS 520 Cb 0.07 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 2qxm h LYS 520 CO -0.13 0.95 0.35 0.78 -1.08 0.00 0.00 179.45 180.32 2qxm h GLY 521 N 0.96 0.87 0.94 3.86 0.00 0.60 -2.09 103.07 108.22 2qxm h GLY 521 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2qxm h GLY 521 CO 0.07 0.19 -0.16 1.98 0.00 0.00 0.00 176.54 178.62 2qxm h MET 522 N 0.68 -0.43 -0.94 4.80 -1.53 -0.08 -1.98 114.93 115.45 2qxm h MET 522 Ca 0.26 0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.57 2qxm h MET 522 Cb 0.09 0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.19 2qxm h MET 522 CO -0.14 -0.25 0.62 0.93 0.14 0.00 0.00 176.91 178.22 2qxm h GLU 523 N -0.51 1.19 -0.66 0.39 4.39 -1.37 -0.65 114.58 117.36 2qxm h GLU 523 Ca -0.05 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2qxm h GLU 523 Cb 0.38 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2qxm h GLU 523 CO 0.08 0.79 0.42 1.25 -1.16 0.00 0.00 179.01 180.38 2qxm h HIS 524 N 1.22 0.84 -0.52 4.33 2.76 -1.21 -2.50 115.15 120.08 2qxm h HIS 524 Ca 0.36 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2qxm h HIS 524 Cb -0.05 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 2qxm h HIS 524 CO -0.00 0.55 0.33 1.25 -1.30 0.00 0.00 177.93 178.76 2qxm h LEU 525 N 0.89 0.61 -1.46 0.26 5.85 -0.50 -1.25 115.31 119.73 2qxm h LEU 525 Ca 0.24 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2qxm h LEU 525 Cb -0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2qxm h LEU 525 CO -0.05 0.47 0.45 0.22 -0.34 0.00 0.00 178.44 179.19 2qxm h TYR 526 N 0.70 0.66 0.00 1.25 5.03 -1.03 0.25 116.97 123.84 2qxm h TYR 526 Ca 0.19 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.32 2qxm h TYR 526 Cb -0.04 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 2qxm h TYR 526 CO -0.03 0.34 -0.94 0.77 -1.32 0.00 0.00 178.16 176.97 2qxm h SER 527 N 0.64 0.00 -0.62 -2.11 0.02 -0.94 0.34 113.55 110.88 2qxm h SER 527 Ca 0.30 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.18 2qxm h SER 527 Cb 0.36 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2qxm h SER 527 CO -0.10 0.91 0.10 0.24 -1.14 0.00 0.00 176.83 176.84 2qxm h MET 528 N 0.00 1.05 0.49 3.45 2.86 -0.77 -2.39 114.93 119.62 2qxm h MET 528 Ca -0.02 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 2qxm h MET 528 Cb 1.71 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.25 2qxm h MET 528 CO 0.12 0.96 -0.24 -0.22 1.06 0.00 0.00 176.91 178.59 2qxm h LYS 529 N 0.98 -0.64 0.00 1.72 3.64 -0.19 -2.42 116.57 119.66 2qxm h LYS 529 Ca 0.20 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2qxm h LYS 529 Cb 0.43 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2qxm h LYS 529 CO 0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 179.45 176.78 2qxm n LYS 531 N -1.20 0.77 -3.76 0.00 5.02 -0.90 -4.99 118.16 113.09 2qxm n LYS 531 Ca 0.07 -1.26 -0.23 0.00 -2.02 0.00 0.00 58.31 54.87 2qxm n LYS 531 Cb 0.08 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 2qxm n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qxm n ASN 532 N 0.68 -1.43 0.01 4.39 4.13 -0.41 -4.89 115.26 117.73 2qxm n ASN 532 Ca 0.07 -0.89 -0.07 0.00 1.68 0.00 0.00 54.58 55.37 2qxm n ASN 532 Cb 0.31 -3.72 -0.13 0.00 -1.54 0.00 0.00 39.78 34.70 2qxm n ASN 532 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2qxm h VAL 533 N -1.84 1.05 -2.73 2.41 2.07 -1.67 -3.48 116.25 112.06 2qxm h VAL 533 Ca -0.62 -2.84 -0.12 0.00 0.82 0.00 0.00 66.70 63.93 2qxm h VAL 533 Cb 1.36 2.51 -0.24 0.00 -1.52 0.00 0.00 31.29 33.40 2qxm h VAL 533 CO 0.57 0.60 -0.24 0.54 0.02 0.00 0.00 177.57 179.06 2qxm s VAL 534 N -2.65 -0.00 0.27 2.57 0.11 -1.26 -4.61 120.40 114.83 2qxm s VAL 534 Ca -0.03 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 2qxm s VAL 534 Cb 0.09 -0.58 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 2qxm s VAL 534 CO 0.82 0.00 1.17 -2.84 -3.33 0.00 0.00 175.10 170.93 2qxm s PRO 535 N 0.34 4.54 -0.06 1.54 0.02 -1.26 -4.76 135.00 135.36 2qxm s PRO 535 Ca -0.01 1.92 0.02 0.00 0.02 0.00 0.00 61.00 62.95 2qxm s PRO 535 Cb -0.03 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 2qxm s PRO 535 CO -0.01 0.05 -0.12 -0.51 -0.33 0.00 0.00 177.00 176.09 2qxm s LEU 536 N -1.25 2.89 0.81 -5.54 1.02 -1.26 -4.99 118.68 110.36 2qxm s LEU 536 Ca 0.47 -0.14 -0.15 0.00 0.02 0.00 0.00 54.13 54.33 2qxm s LEU 536 Cb -0.34 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 2qxm s LEU 536 CO 0.43 0.34 0.40 -1.54 0.02 0.00 0.00 176.35 176.00 2qxm n SER 537 N 2.35 -1.80 0.28 2.29 3.41 -1.26 -4.61 113.62 114.27 2qxm n SER 537 Ca -0.17 0.49 0.15 0.00 -0.26 0.00 0.00 58.87 59.07 2qxm n SER 537 Cb 0.52 -1.18 0.79 0.00 -0.26 0.00 0.00 64.21 64.09 2qxm n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qxm h ASP 538 N -0.78 0.00 0.20 4.04 3.32 -1.99 0.20 116.42 121.42 2qxm h ASP 538 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 2qxm h ASP 538 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2qxm h ASP 538 CO 0.39 0.08 -0.10 0.25 -1.72 0.00 0.00 179.24 178.14 2qxm h LEU 539 N 0.00 -0.23 -0.74 1.55 5.85 -1.99 -2.82 115.31 116.92 2qxm h LEU 539 Ca -0.00 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 58.64 2qxm h LEU 539 Cb 0.33 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 2qxm h LEU 539 CO 0.01 0.31 0.07 -0.07 -0.34 0.00 0.00 178.44 178.42 2qxm h LEU 540 N -0.95 -0.22 -0.28 2.25 -0.00 -1.73 0.58 115.31 114.96 2qxm h LEU 540 Ca -0.03 0.18 0.04 0.00 -0.00 0.00 0.00 57.88 58.07 2qxm h LEU 540 Cb 0.47 0.29 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 2qxm h LEU 540 CO 0.05 -0.13 0.03 -0.07 -0.00 0.00 0.00 178.44 178.31 2qxm h LEU 541 N 0.15 -0.05 -1.05 1.67 4.07 -0.69 -0.87 115.31 118.54 2qxm h LEU 541 Ca 0.41 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.39 2qxm h LEU 541 Cb 0.73 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 2qxm h LEU 541 CO -0.61 0.01 0.22 -0.33 -1.08 0.00 0.00 178.44 176.65 2qxm h GLU 542 N 0.12 0.91 -0.03 1.13 5.08 -0.68 0.11 114.58 121.21 2qxm h GLU 542 Ca 0.13 -0.15 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 2qxm h GLU 542 Cb 0.15 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2qxm h GLU 542 CO -0.20 0.76 -0.96 0.52 -1.00 0.00 0.00 179.01 178.13 2qxm h MET 543 N 0.89 0.64 -0.81 2.33 2.86 -0.52 -1.86 114.93 118.46 2qxm h MET 543 Ca 0.21 -0.65 -0.04 0.00 -2.06 0.00 0.00 59.70 57.16 2qxm h MET 543 Cb 0.21 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2qxm h MET 543 CO -0.02 1.25 0.35 1.25 1.06 0.00 0.00 176.91 180.80 2qxm h LEU 544 N 0.38 1.10 -0.12 1.22 5.85 -1.08 -3.10 115.31 119.56 2qxm h LEU 544 Ca -0.10 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2qxm h LEU 544 Cb 1.60 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 2qxm h LEU 544 CO 0.18 0.95 -0.43 -0.78 -0.34 0.00 0.00 178.44 178.03 2qxm h ASP 545 N 1.17 -1.34 -1.19 1.25 3.58 -0.55 -2.51 116.42 116.83 2qxm h ASP 545 Ca 0.27 0.17 0.42 0.00 0.42 0.00 0.00 57.03 58.32 2qxm h ASP 545 Cb 0.18 0.54 -0.15 0.00 1.72 0.00 0.00 39.33 41.62 2qxm h ASP 545 CO -0.03 -0.43 0.72 0.00 -2.88 0.00 0.00 179.24 176.62 2qxm h ALA 546 N 0.08 2.47 0.00 -0.78 0.00 -1.26 4.98 119.26 124.76 2qxm h ALA 546 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qxm h ALA 546 Cb 0.63 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2qxm h ALA 546 CO -0.39 -1.17 0.00 0.72 0.00 0.00 0.00 179.25 178.41 2qxm n HIS 547 N -4.93 0.00 -2.53 0.00 8.25 -0.95 -4.77 115.22 110.29 2qxm n HIS 547 Ca 0.37 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.69 2qxm n HIS 547 Cb 1.36 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 32.36 2qxm n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qxm n ARG 548 N 0.04 -0.96 -0.44 -0.41 1.74 1.63 -4.63 116.66 113.63 2qxm n ARG 548 Ca 0.00 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 2qxm n ARG 548 Cb 0.21 -1.77 0.10 0.00 -1.02 0.00 0.00 32.46 29.99 2qxm n ARG 548 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qxm n LEU 549 N -1.76 0.00 0.00 0.55 7.94 -1.24 -5.12 117.00 117.37 2qxm n LEU 549 Ca 0.04 -0.49 0.00 0.00 -1.11 0.00 0.00 56.01 54.46 2qxm n LEU 549 Cb 0.17 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2qxm n LEU 549 CO 0.33 -1.48 0.00 0.00 -1.11 0.00 0.00 177.39 175.13