#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgt n LEU 306 N 0.00 0.58 -0.19 2.46 7.94 -1.26 -3.54 117.00 122.99 2qgt n LEU 306 Ca 0.00 0.25 0.06 0.00 -1.11 0.00 0.00 56.01 55.21 2qgt n LEU 306 Cb 0.00 0.11 0.34 0.00 0.53 0.00 0.00 43.42 44.40 2qgt n LEU 306 CO 0.00 0.13 1.22 0.00 -1.11 0.00 0.00 177.39 177.63 2qgt h ALA 307 N 1.53 1.67 0.00 1.96 0.00 -1.98 -2.68 119.26 119.77 2qgt h ALA 307 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qgt h ALA 307 Cb 1.51 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qgt h ALA 307 CO 0.03 0.22 -0.01 -0.07 0.00 0.00 0.00 179.25 179.42 2qgt h LEU 308 N 0.78 0.00 0.00 0.00 4.07 -1.97 -3.09 115.31 115.11 2qgt h LEU 308 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.27 2qgt h LEU 308 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2qgt h LEU 308 CO -0.10 0.01 -0.77 0.28 -1.08 0.00 0.00 178.44 176.78 2qgt h SER 309 N 0.00 0.00 -4.00 -0.43 0.02 -1.61 -3.48 113.55 104.05 2qgt h SER 309 Ca -0.00 -0.12 -0.54 0.00 -0.84 0.00 0.00 61.79 60.29 2qgt h SER 309 Cb 0.58 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.24 2qgt h SER 309 CO 0.00 0.06 0.67 -0.76 -1.14 0.00 0.00 176.83 175.66 2qgt s LEU 310 N -4.79 4.05 0.86 5.07 1.43 -1.17 -5.03 118.68 119.09 2qgt s LEU 310 Ca 0.03 2.85 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 2qgt s LEU 310 Cb 0.11 -4.03 0.11 0.00 0.03 0.00 0.00 46.19 42.42 2qgt s LEU 310 CO 0.75 -1.26 1.22 0.42 0.23 0.00 0.00 176.35 177.71 2qgt s THR 311 N -1.24 2.00 0.12 5.49 -4.23 -1.26 -4.86 115.64 111.66 2qgt s THR 311 Ca 0.64 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.99 2qgt s THR 311 Cb -0.42 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 2qgt s THR 311 CO 0.53 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 176.21 2qgt h ALA 312 N -1.24 0.50 -0.32 3.99 0.00 -1.95 0.14 119.26 120.39 2qgt h ALA 312 Ca -0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2qgt h ALA 312 Cb 1.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2qgt h ALA 312 CO 0.58 0.22 0.03 -0.44 0.00 0.00 0.00 179.25 179.65 2qgt h ASP 313 N 0.47 0.44 -0.07 0.00 3.45 -1.96 -1.09 116.42 117.67 2qgt h ASP 313 Ca 0.11 -0.07 -0.21 0.00 0.43 0.00 0.00 57.03 57.29 2qgt h ASP 313 Cb 0.38 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.04 2qgt h ASP 313 CO 0.01 0.48 -0.76 1.56 -1.57 0.00 0.00 179.24 178.97 2qgt h GLN 314 N 0.47 0.72 -0.13 3.56 4.20 -1.89 -2.06 115.11 119.97 2qgt h GLN 314 Ca 0.11 -0.58 0.04 0.00 0.06 0.00 0.00 58.65 58.28 2qgt h GLN 314 Cb 0.25 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 2qgt h GLN 314 CO 0.00 1.19 -0.20 1.98 -0.67 0.00 0.00 178.83 181.13 2qgt h MET 315 N 0.50 -0.25 -0.46 1.46 4.05 -0.53 -1.38 114.93 118.31 2qgt h MET 315 Ca -0.04 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2qgt h MET 315 Cb 1.37 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.20 2qgt h MET 315 CO 0.15 -0.17 0.25 0.28 0.23 0.00 0.00 176.91 177.66 2qgt h VAL 316 N -0.26 1.01 0.02 -5.77 2.07 -1.19 -2.05 116.25 110.08 2qgt h VAL 316 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2qgt h VAL 316 Cb 0.41 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2qgt h VAL 316 CO -0.28 0.09 -0.02 0.28 0.02 0.00 0.00 177.57 177.66 2qgt h SER 317 N 0.51 -0.05 -0.60 0.57 0.02 -1.21 0.13 113.55 112.93 2qgt h SER 317 Ca 0.19 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 2qgt h SER 317 Cb 0.05 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 2qgt h SER 317 CO -0.11 -0.03 0.24 0.00 -1.14 0.00 0.00 176.83 175.80 2qgt h ALA 318 N 0.94 0.77 -0.22 3.77 0.00 -1.11 -0.41 119.26 123.01 2qgt h ALA 318 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2qgt h ALA 318 Cb 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qgt h ALA 318 CO -0.00 -0.16 -0.21 -0.07 0.00 0.00 0.00 179.25 178.81 2qgt h LEU 319 N 0.44 0.56 -0.63 0.00 3.38 -0.89 -1.04 115.31 117.14 2qgt h LEU 319 Ca 0.29 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2qgt h LEU 319 Cb 0.33 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2qgt h LEU 319 CO -0.27 0.92 0.40 -0.07 0.09 0.00 0.00 178.44 179.51 2qgt h LEU 320 N 0.21 0.68 -1.09 1.67 3.38 -0.59 -2.81 115.31 116.76 2qgt h LEU 320 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2qgt h LEU 320 Cb 0.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2qgt h LEU 320 CO 0.05 0.48 -0.42 0.44 0.09 0.00 0.00 178.44 179.09 2qgt h ASP 321 N 0.81 0.00 0.79 -0.43 5.19 -0.96 -2.61 116.42 119.21 2qgt h ASP 321 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2qgt h ASP 321 Cb -0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2qgt h ASP 321 CO -0.08 0.42 0.00 0.00 -3.12 0.00 0.00 179.24 176.46 2qgt n ALA 322 N -2.39 1.79 -1.65 3.45 0.00 -0.40 -4.90 120.51 116.41 2qgt n ALA 322 Ca -0.01 0.02 -0.49 0.00 0.00 0.00 0.00 53.44 52.96 2qgt n ALA 322 Cb 0.48 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 2qgt n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qgt n GLU 323 N -2.01 1.76 -1.41 0.00 -0.58 -0.99 -4.62 120.64 112.80 2qgt n GLU 323 Ca 0.03 0.64 -0.31 0.00 -0.42 0.00 0.00 57.16 57.10 2qgt n GLU 323 Cb 0.25 -2.38 0.08 0.00 -0.57 0.00 0.00 31.44 28.82 2qgt n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qgt s PRO 324 N 1.73 2.48 0.66 3.49 0.04 -1.26 -5.03 135.00 137.11 2qgt s PRO 324 Ca 0.85 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 2qgt s PRO 324 Cb -0.80 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 2qgt s PRO 324 CO 0.46 -1.44 1.05 -1.25 0.04 0.00 0.00 177.00 175.86 2qgt s PRO 325 N -4.98 3.16 -0.36 0.56 0.04 -1.26 -5.01 135.00 127.15 2qgt s PRO 325 Ca 0.60 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 2qgt s PRO 325 Cb -0.16 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2qgt s PRO 325 CO 0.56 -0.92 0.84 0.42 0.04 0.00 0.00 177.00 177.93 2qgt s ILE 326 N -2.96 4.69 0.33 0.56 1.01 -1.26 -5.04 121.20 118.53 2qgt s ILE 326 Ca 0.58 1.05 -0.05 0.00 0.00 0.00 0.00 60.65 62.24 2qgt s ILE 326 Cb -0.14 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2qgt s ILE 326 CO 0.51 -0.44 0.60 -0.76 0.00 0.00 0.00 174.94 174.85 2qgt s LEU 327 N 3.22 3.98 0.18 2.97 1.43 -1.26 -4.99 118.68 124.21 2qgt s LEU 327 Ca 0.34 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.09 2qgt s LEU 327 Cb -0.13 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 2qgt s LEU 327 CO 0.17 -0.27 0.50 -0.31 0.23 0.00 0.00 176.35 176.67 2qgt s TYR 328 N -2.22 3.49 0.71 0.29 1.51 -1.26 -4.41 117.35 115.46 2qgt s TYR 328 Ca 0.44 0.85 -0.08 0.00 -1.01 0.00 0.00 57.07 57.28 2qgt s TYR 328 Cb -0.10 -2.23 0.05 0.00 -0.11 0.00 0.00 41.96 39.57 2qgt s TYR 328 CO 0.33 0.36 1.03 -1.54 -1.11 0.00 0.00 175.55 174.62 2qgt s SER 329 N -2.16 4.90 -0.17 2.29 1.04 -1.26 -4.92 113.70 113.42 2qgt s SER 329 Ca 0.42 0.58 0.03 0.00 0.48 0.00 0.00 55.95 57.47 2qgt s SER 329 Cb -0.12 -1.26 0.29 0.00 0.10 0.00 0.00 66.02 65.03 2qgt s SER 329 CO 0.21 -1.57 1.30 -0.62 0.98 0.00 0.00 173.24 173.54 2qgt n GLU 330 N -2.95 1.78 -1.68 4.02 1.02 -1.26 -4.97 120.64 116.59 2qgt n GLU 330 Ca 0.07 -1.26 -0.46 0.00 -0.02 0.00 0.00 57.16 55.49 2qgt n GLU 330 Cb 0.60 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 2qgt n GLU 330 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2qgt n TYR 331 N -0.08 2.36 -3.79 -0.32 9.36 -1.26 -4.97 117.16 118.46 2qgt n TYR 331 Ca 0.22 0.06 -0.37 0.00 3.32 0.00 0.00 57.90 61.13 2qgt n TYR 331 Cb 0.91 -2.64 -0.12 0.00 -0.63 0.00 0.00 39.34 36.86 2qgt n TYR 331 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qgt s ASP 332 N 2.72 5.20 0.00 2.98 2.15 -1.26 -4.98 116.67 123.47 2qgt s ASP 332 Ca 0.86 -1.51 0.18 0.00 0.43 0.00 0.00 52.55 52.51 2qgt s ASP 332 Cb -0.65 -1.82 1.07 0.00 -0.30 0.00 0.00 42.92 41.22 2qgt s ASP 332 CO 0.44 -0.40 1.47 -0.81 -0.17 0.00 0.00 175.17 175.70 2qgt n PRO 333 N 4.69 0.58 0.11 4.34 -0.04 -1.26 -2.77 135.00 140.65 2qgt n PRO 333 Ca -0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2qgt n PRO 333 Cb 0.43 -1.48 0.23 0.00 -0.04 0.00 0.00 33.50 32.64 2qgt n PRO 333 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qgt h THR 334 N 0.00 0.00 -4.00 0.52 1.03 -2.02 -3.45 112.91 104.98 2qgt h THR 334 Ca 0.00 -0.63 -0.53 0.00 -0.01 0.00 0.00 66.41 65.24 2qgt h THR 334 Cb 0.00 1.42 -0.23 0.00 -1.07 0.00 0.00 68.15 68.27 2qgt h THR 334 CO 0.00 0.00 -0.82 -0.13 -0.01 0.00 0.00 175.52 174.56 2qgt s ARG 335 N -3.17 1.12 0.65 0.00 0.52 -1.11 -5.14 118.95 111.81 2qgt s ARG 335 Ca 0.07 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 2qgt s ARG 335 Cb 0.11 -1.28 -0.01 0.00 0.52 0.00 0.00 34.95 34.29 2qgt s ARG 335 CO 0.68 0.31 1.05 -1.25 0.02 0.00 0.00 175.30 176.11 2qgt s PRO 336 N -1.61 3.15 0.42 3.54 0.04 -1.26 -4.91 135.00 134.37 2qgt s PRO 336 Ca 0.05 1.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 2qgt s PRO 336 Cb -0.09 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2qgt s PRO 336 CO 0.03 -0.93 1.18 -0.06 0.04 0.00 0.00 177.00 177.26 2qgt s PHE 337 N -2.87 2.97 0.37 0.56 0.08 -1.26 -5.04 117.98 112.79 2qgt s PHE 337 Ca 0.59 1.53 0.05 0.00 0.12 0.00 0.00 56.93 59.22 2qgt s PHE 337 Cb -0.14 -3.42 -0.06 0.00 -0.57 0.00 0.00 43.02 38.82 2qgt s PHE 337 CO 0.49 -1.47 0.04 -1.54 -0.10 0.00 0.00 175.22 172.64 2qgt s SER 338 N -1.16 3.05 0.15 1.36 1.04 -1.26 -5.00 113.70 111.87 2qgt s SER 338 Ca 0.59 -1.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 2qgt s SER 338 Cb -0.31 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 65.72 2qgt s SER 338 CO 0.38 -0.58 1.72 -0.08 0.98 0.00 0.00 173.24 175.67 2qgt h GLU 339 N 1.93 0.14 -0.67 4.02 4.81 -1.99 -0.43 114.58 122.40 2qgt h GLU 339 Ca -0.42 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2qgt h GLU 339 Cb 1.25 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2qgt h GLU 339 CO 0.73 0.10 0.40 0.00 -0.73 0.00 0.00 179.01 179.51 2qgt h ALA 340 N 1.25 0.86 0.03 2.92 0.00 -1.91 -2.00 119.26 120.41 2qgt h ALA 340 Ca 0.15 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2qgt h ALA 340 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qgt h ALA 340 CO -0.22 0.33 -0.97 0.66 0.00 0.00 0.00 179.25 179.05 2qgt h SER 341 N 0.91 0.25 -0.11 0.00 4.64 -1.83 -0.29 113.55 117.13 2qgt h SER 341 Ca 0.24 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2qgt h SER 341 Cb -0.02 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2qgt h SER 341 CO -0.04 1.08 -0.09 -0.03 -0.87 0.00 0.00 176.83 176.88 2qgt h MET 342 N 0.08 0.25 -0.59 4.77 -1.53 -1.06 -0.74 114.93 116.11 2qgt h MET 342 Ca -0.06 -0.12 0.06 0.00 -3.44 0.00 0.00 59.70 56.14 2qgt h MET 342 Cb 1.65 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.66 2qgt h MET 342 CO 0.15 0.64 0.39 0.52 0.14 0.00 0.00 176.91 178.75 2qgt h MET 343 N -0.14 0.56 -0.04 0.39 2.07 -1.34 -1.32 114.93 115.11 2qgt h MET 343 Ca 0.02 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2qgt h MET 343 Cb 0.58 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 30.19 2qgt h MET 343 CO 0.02 0.37 0.02 0.78 1.07 0.00 0.00 176.91 179.17 2qgt h GLY 344 N 0.58 0.07 0.55 8.32 0.00 -0.79 -2.45 103.07 109.35 2qgt h GLY 344 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.60 2qgt h GLY 344 CO -0.07 0.04 0.08 1.41 0.00 0.00 0.00 176.54 177.99 2qgt h LEU 345 N -0.09 0.01 -0.44 3.11 3.38 -0.66 0.34 115.31 120.96 2qgt h LEU 345 Ca 0.01 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2qgt h LEU 345 Cb 0.17 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qgt h LEU 345 CO -0.00 0.04 -0.40 -0.07 0.09 0.00 0.00 178.44 178.10 2qgt h LEU 346 N 0.20 0.93 0.04 1.67 3.38 -1.26 -1.56 115.31 118.72 2qgt h LEU 346 Ca 0.18 -0.43 -0.28 0.00 0.09 0.00 0.00 57.88 57.44 2qgt h LEU 346 Cb 0.21 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.72 2qgt h LEU 346 CO -0.23 1.20 -1.14 0.71 0.09 0.00 0.00 178.44 179.07 2qgt h THR 347 N 0.71 1.30 -0.67 0.22 1.35 -1.38 -1.37 112.91 113.06 2qgt h THR 347 Ca 0.06 -2.41 0.05 0.00 -0.55 0.00 0.00 66.41 63.56 2qgt h THR 347 Cb 0.98 2.56 -0.05 0.00 -1.73 0.00 0.00 68.15 69.91 2qgt h THR 347 CO 0.09 0.74 0.38 -1.13 -0.25 0.00 0.00 175.52 175.35 2qgt h ASN 348 N 0.31 0.58 0.06 5.36 -0.73 -0.91 -0.69 115.58 119.55 2qgt h ASN 348 Ca -0.15 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.04 2qgt h ASN 348 Cb 1.81 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 40.30 2qgt h ASN 348 CO 0.22 0.38 -0.05 0.25 -0.37 0.00 0.00 177.43 177.85 2qgt h LEU 349 N 0.71 -0.13 -1.26 0.34 5.85 -1.23 -2.64 115.31 116.95 2qgt h LEU 349 Ca 0.30 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2qgt h LEU 349 Cb 0.16 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2qgt h LEU 349 CO -0.17 -0.08 0.50 0.00 -0.34 0.00 0.00 178.44 178.35 2qgt h ALA 350 N 0.81 1.46 -0.28 1.25 0.00 -1.00 0.42 119.26 121.94 2qgt h ALA 350 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qgt h ALA 350 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2qgt h ALA 350 CO -0.01 0.50 0.07 0.22 0.00 0.00 0.00 179.25 180.03 2qgt h ASP 351 N 1.02 0.42 -0.58 0.00 3.58 -1.00 0.12 116.42 119.99 2qgt h ASP 351 Ca 0.28 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2qgt h ASP 351 Cb -0.12 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2qgt h ASP 351 CO -0.06 0.54 0.17 0.03 -2.88 0.00 0.00 179.24 177.04 2qgt h ARG 352 N 0.28 0.90 -0.83 0.28 3.08 -1.01 -2.65 114.38 114.44 2qgt h ARG 352 Ca 0.09 -0.20 0.10 0.00 0.07 0.00 0.00 59.98 60.03 2qgt h ARG 352 Cb 0.28 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 2qgt h ARG 352 CO 0.00 0.82 0.54 0.93 -1.07 0.00 0.00 179.97 181.19 2qgt h GLU 353 N 0.82 0.78 -1.00 0.04 5.08 -0.61 -2.85 114.58 116.83 2qgt h GLU 353 Ca 0.19 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2qgt h GLU 353 Cb 0.30 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2qgt h GLU 353 CO -0.00 0.51 0.66 -0.07 -1.00 0.00 0.00 179.01 179.11 2qgt h LEU 354 N 0.80 1.13 -0.35 1.33 3.38 -0.38 0.17 115.31 121.39 2qgt h LEU 354 Ca 0.38 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.34 2qgt h LEU 354 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2qgt h LEU 354 CO -0.15 0.81 0.22 0.58 0.09 0.00 0.00 178.44 179.99 2qgt h VAL 355 N 1.33 1.07 -0.07 1.22 2.07 -1.51 -1.14 116.25 119.22 2qgt h VAL 355 Ca 0.37 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.67 2qgt h VAL 355 Cb -0.12 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2qgt h VAL 355 CO -0.09 0.08 -0.29 0.45 0.02 0.00 0.00 177.57 177.75 2qgt h HIS 356 N 0.45 0.13 -0.50 1.57 3.86 -1.42 -2.94 115.15 116.31 2qgt h HIS 356 Ca 0.13 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 2qgt h HIS 356 Cb -0.03 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2qgt h HIS 356 CO -0.06 0.40 -0.01 1.98 0.86 0.00 0.00 177.93 181.10 2qgt h MET 357 N 0.11 0.88 -0.88 2.45 -1.53 -0.12 -0.54 114.93 115.30 2qgt h MET 357 Ca 0.02 -0.29 0.00 0.00 -3.44 0.00 0.00 59.70 55.99 2qgt h MET 357 Cb 0.57 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.50 2qgt h MET 357 CO 0.04 0.92 0.55 0.82 0.14 0.00 0.00 176.91 179.39 2qgt h ILE 358 N 0.75 1.23 -0.24 1.77 2.04 -1.11 0.96 117.51 122.91 2qgt h ILE 358 Ca 0.14 -0.47 -0.17 0.00 1.00 0.00 0.00 64.86 65.36 2qgt h ILE 358 Cb 0.53 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2qgt h ILE 358 CO 0.03 0.24 -0.53 0.78 0.00 0.00 0.00 178.15 178.66 2qgt h ASN 359 N 1.20 0.77 0.10 1.72 2.35 -1.40 -2.80 115.58 117.51 2qgt h ASN 359 Ca 0.32 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2qgt h ASN 359 Cb -0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 2qgt h ASN 359 CO -0.06 1.15 -0.17 -0.25 -1.65 0.00 0.00 177.43 176.45 2qgt h TRP 360 N 0.54 -0.44 -0.99 1.19 7.01 -0.83 -3.16 115.95 119.27 2qgt h TRP 360 Ca 0.02 0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.18 2qgt h TRP 360 Cb 1.10 0.18 -0.09 0.00 -2.10 0.00 0.00 29.16 28.25 2qgt h TRP 360 CO 0.06 -0.25 0.62 0.00 -2.79 0.00 0.00 178.44 176.07 2qgt h ALA 361 N 0.51 1.65 0.00 2.65 0.00 -0.76 0.17 119.26 123.47 2qgt h ALA 361 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qgt h ALA 361 Cb 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qgt h ALA 361 CO -0.09 0.05 -0.02 0.87 0.00 0.00 0.00 179.25 180.06 2qgt h LYS 362 N 0.85 0.00 -0.01 0.00 1.57 -1.46 -2.25 116.57 115.26 2qgt h LYS 362 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2qgt h LYS 362 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2qgt h LYS 362 CO -0.30 0.02 -0.35 0.54 -0.57 0.00 0.00 179.45 178.79 2qgt n ARG 363 N -3.18 1.06 -2.52 3.15 1.74 0.56 -4.44 116.66 113.02 2qgt n ARG 363 Ca -0.02 -0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 55.87 2qgt n ARG 363 Cb 0.18 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 2qgt n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qgt s VAL 364 N -2.47 4.36 -0.18 1.55 1.01 -0.85 -4.81 120.40 119.00 2qgt s VAL 364 Ca 0.22 1.58 -0.41 0.00 0.00 0.00 0.00 61.98 63.37 2qgt s VAL 364 Cb 0.19 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 32.16 2qgt s VAL 364 CO 0.54 -0.36 1.44 -2.65 0.00 0.00 0.00 175.10 174.06 2qgt n PRO 365 N 6.89 0.55 0.00 2.72 -0.02 -1.26 -1.24 135.00 142.65 2qgt n PRO 365 Ca 0.13 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2qgt n PRO 365 Cb 0.46 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2qgt n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qgt n GLY 366 N 3.08 2.97 0.29 -1.23 0.00 -1.26 -4.90 105.19 104.14 2qgt n GLY 366 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 2qgt n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qgt h PHE 367 N 0.00 0.99 0.00 1.61 3.57 -1.45 -1.97 116.94 119.70 2qgt h PHE 367 Ca 0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2qgt h PHE 367 Cb 0.00 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 2qgt h PHE 367 CO 0.00 0.73 -0.05 -0.24 -2.23 0.00 0.00 178.31 176.52 2qgt h VAL 368 N 0.97 0.63 0.00 1.41 3.04 -1.78 -1.88 116.25 118.65 2qgt h VAL 368 Ca 0.24 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2qgt h VAL 368 Cb 0.10 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2qgt h VAL 368 CO -0.03 0.05 0.00 0.44 -1.01 0.00 0.00 177.57 177.02 2qgt h ASP 369 N 0.00 0.00 -4.23 3.17 3.32 -1.73 -3.45 116.42 113.51 2qgt h ASP 369 Ca -0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2qgt h ASP 369 Cb 0.13 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.71 2qgt h ASP 369 CO 0.01 0.00 0.38 -0.76 -1.72 0.00 0.00 179.24 177.15 2qgt s LEU 370 N -6.09 3.53 0.84 1.55 1.43 -0.71 -5.04 118.68 114.19 2qgt s LEU 370 Ca 0.00 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 2qgt s LEU 370 Cb 0.09 -4.50 0.10 0.00 0.03 0.00 0.00 46.19 41.91 2qgt s LEU 370 CO 0.51 -0.73 1.15 0.42 0.23 0.00 0.00 176.35 177.94 2qgt s THR 371 N -2.71 2.33 0.22 5.49 -4.23 -1.26 -4.78 115.64 110.70 2qgt s THR 371 Ca 0.59 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 61.14 2qgt s THR 371 Cb -0.11 -2.36 0.17 0.00 1.34 0.00 0.00 72.50 71.54 2qgt s THR 371 CO 0.37 -0.13 1.79 -0.07 -0.54 0.00 0.00 174.62 176.03 2qgt h LEU 372 N -1.35 0.49 -1.12 4.79 3.38 -1.96 -0.68 115.31 118.86 2qgt h LEU 372 Ca -0.44 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2qgt h LEU 372 Cb 1.27 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2qgt h LEU 372 CO 0.45 0.29 0.59 -0.74 0.09 0.00 0.00 178.44 179.12 2qgt h HIS 373 N 0.63 1.11 -0.34 1.13 -0.00 -1.99 0.04 115.15 115.72 2qgt h HIS 373 Ca 0.34 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.64 2qgt h HIS 373 Cb 0.32 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2qgt h HIS 373 CO -0.10 0.68 -0.14 -0.44 -0.00 0.00 0.00 177.93 177.92 2qgt h ASP 374 N 1.18 0.72 -0.48 3.26 5.19 -1.68 -2.07 116.42 122.54 2qgt h ASP 374 Ca 0.34 -0.40 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 2qgt h ASP 374 Cb -0.08 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 2qgt h ASP 374 CO -0.09 0.96 0.18 1.56 -3.12 0.00 0.00 179.24 178.73 2qgt h GLN 375 N 0.48 0.72 -0.00 3.56 4.20 -0.91 -2.18 115.11 120.97 2qgt h GLN 375 Ca 0.08 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.68 2qgt h GLN 375 Cb 0.67 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 2qgt h GLN 375 CO 0.05 0.65 -0.18 0.28 -0.67 0.00 0.00 178.83 178.96 2qgt h VAL 376 N 0.63 0.56 -0.36 -0.54 2.07 -0.94 -2.41 116.25 115.26 2qgt h VAL 376 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 2qgt h VAL 376 Cb 0.21 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2qgt h VAL 376 CO -0.01 0.00 0.16 -0.74 0.02 0.00 0.00 177.57 177.00 2qgt h HIS 377 N -0.29 0.29 -0.47 1.57 -0.00 -1.24 0.13 115.15 115.14 2qgt h HIS 377 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 2qgt h HIS 377 Cb 0.37 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2qgt h HIS 377 CO -0.23 0.14 0.27 -0.07 -0.00 0.00 0.00 177.93 178.04 2qgt h LEU 378 N 0.33 0.57 -0.31 0.26 3.38 -1.35 -0.17 115.31 118.03 2qgt h LEU 378 Ca 0.16 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2qgt h LEU 378 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qgt h LEU 378 CO -0.13 0.48 -0.41 -0.07 0.09 0.00 0.00 178.44 178.40 2qgt h LEU 379 N 0.62 0.89 -1.44 1.67 3.38 -1.18 -1.23 115.31 118.02 2qgt h LEU 379 Ca 0.17 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.64 2qgt h LEU 379 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2qgt h LEU 379 CO -0.03 1.21 0.38 -0.33 0.09 0.00 0.00 178.44 179.76 2qgt h GLU 380 N 0.59 0.76 -0.10 1.13 5.08 -0.66 -0.45 114.58 120.92 2qgt h GLU 380 Ca 0.04 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2qgt h GLU 380 Cb 1.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2qgt h GLU 380 CO 0.10 0.50 -0.37 0.00 -1.00 0.00 0.00 179.01 178.23 2qgt n ALA 382 N -2.51 3.75 -0.21 0.00 0.00 -0.49 -4.71 120.51 116.33 2qgt n ALA 382 Ca -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.81 2qgt n ALA 382 Cb 0.53 -0.68 0.12 0.00 0.00 0.00 0.00 19.45 19.42 2qgt n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qgt h TRP 383 N 1.37 0.12 -0.15 0.00 5.08 -1.30 0.22 115.95 121.28 2qgt h TRP 383 Ca 0.00 0.04 -0.16 0.00 1.08 0.00 0.00 58.89 59.85 2qgt h TRP 383 Cb 0.58 0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.78 2qgt h TRP 383 CO 0.00 -0.10 -0.57 1.25 -1.28 0.00 0.00 178.44 177.74 2qgt h LEU 384 N 0.20 0.54 -0.64 0.11 5.85 -1.86 -0.80 115.31 118.71 2qgt h LEU 384 Ca 0.34 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2qgt h LEU 384 Cb 0.55 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2qgt h LEU 384 CO -0.48 1.00 0.35 -0.33 -0.34 0.00 0.00 178.44 178.64 2qgt h GLU 385 N 0.37 0.64 -0.47 1.25 5.08 -1.53 0.85 114.58 120.77 2qgt h GLU 385 Ca 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2qgt h GLU 385 Cb 1.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2qgt h GLU 385 CO 0.10 0.43 -0.20 0.82 -1.00 0.00 0.00 179.01 179.16 2qgt h ILE 386 N 0.66 1.27 -0.50 3.13 2.04 -0.68 0.54 117.51 123.98 2qgt h ILE 386 Ca 0.28 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 2qgt h ILE 386 Cb 0.16 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2qgt h ILE 386 CO -0.17 0.47 0.12 -0.07 0.00 0.00 0.00 178.15 178.50 2qgt h LEU 387 N 0.82 0.76 -0.28 1.44 3.38 -0.86 -2.78 115.31 117.80 2qgt h LEU 387 Ca 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2qgt h LEU 387 Cb 0.76 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2qgt h LEU 387 CO 0.06 0.80 0.07 0.24 0.09 0.00 0.00 178.44 179.70 2qgt h MET 388 N 0.69 0.45 -0.60 1.13 2.86 -0.64 -1.99 114.93 116.83 2qgt h MET 388 Ca 0.16 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2qgt h MET 388 Cb 0.33 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2qgt h MET 388 CO 0.00 0.53 0.18 0.97 1.06 0.00 0.00 176.91 179.66 2qgt h ILE 389 N 0.28 1.23 -0.75 -1.22 2.10 -0.88 -1.18 117.51 117.09 2qgt h ILE 389 Ca 0.09 -0.80 0.04 0.00 1.08 0.00 0.00 64.86 65.26 2qgt h ILE 389 Cb 0.29 0.58 -0.05 0.00 -1.09 0.00 0.00 36.82 36.55 2qgt h ILE 389 CO 0.00 0.31 0.47 1.23 -1.08 0.00 0.00 178.15 179.07 2qgt h GLY 390 N 1.00 1.09 0.82 8.18 0.00 -1.44 -0.14 103.07 112.58 2qgt h GLY 390 Ca 0.20 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2qgt h GLY 390 CO -0.01 0.29 0.02 -2.00 0.00 0.00 0.00 176.54 174.83 2qgt h LEU 391 N 0.90 0.08 -0.63 3.11 5.85 -0.62 0.18 115.31 124.17 2qgt h LEU 391 Ca 0.31 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2qgt h LEU 391 Cb 0.05 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2qgt h LEU 391 CO -0.12 0.26 0.39 0.58 -0.34 0.00 0.00 178.44 179.20 2qgt h VAL 392 N -0.10 1.08 -0.32 1.05 2.07 -1.11 -0.19 116.25 118.72 2qgt h VAL 392 Ca 0.02 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qgt h VAL 392 Cb 0.21 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2qgt h VAL 392 CO -0.00 0.14 0.20 -0.25 0.02 0.00 0.00 177.57 177.68 2qgt h TRP 393 N 0.77 0.38 0.00 1.57 2.91 -0.72 -2.29 115.95 118.57 2qgt h TRP 393 Ca 0.25 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.25 2qgt h TRP 393 Cb 0.02 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.54 2qgt h TRP 393 CO -0.05 0.24 -0.16 0.00 -1.03 0.00 0.00 178.44 177.43 2qgt h ARG 394 N 0.42 0.00 -0.00 2.65 3.08 -0.20 -2.68 114.38 117.64 2qgt h ARG 394 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2qgt h ARG 394 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qgt h ARG 394 CO -0.03 0.16 -0.40 0.43 -1.07 0.00 0.00 179.97 179.06 2qgt n SER 395 N -4.18 0.60 -0.28 7.04 7.64 -0.13 -4.44 113.62 119.87 2qgt n SER 395 Ca -0.02 -0.38 0.09 0.00 1.01 0.00 0.00 58.87 59.56 2qgt n SER 395 Cb 0.24 0.18 0.22 0.00 -1.01 0.00 0.00 64.21 63.83 2qgt n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qgt h MET 396 N 0.31 0.11 -0.79 1.43 2.86 -1.06 0.16 114.93 117.95 2qgt h MET 396 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2qgt h MET 396 Cb 0.50 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2qgt h MET 396 CO 0.00 0.08 0.03 0.39 1.06 0.00 0.00 176.91 178.46 2qgt n GLU 397 N -5.34 3.01 -3.30 1.72 1.02 -1.26 -4.40 120.64 112.08 2qgt n GLU 397 Ca 0.17 -1.70 -0.25 0.00 -0.02 0.00 0.00 57.16 55.36 2qgt n GLU 397 Cb 0.58 -1.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2qgt n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qgt n HIS 398 N 0.28 0.29 -1.64 -0.32 8.25 0.04 -5.11 115.22 117.01 2qgt n HIS 398 Ca 0.16 -3.63 -0.47 0.00 -0.26 0.00 0.00 57.72 53.52 2qgt n HIS 398 Cb 0.80 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 2qgt n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qgt n PRO 399 N 1.65 1.81 -0.96 -0.41 -0.02 -1.26 -1.26 135.00 134.54 2qgt n PRO 399 Ca 0.24 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2qgt n PRO 399 Cb 0.49 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2qgt n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qgt n GLY 400 N 2.49 0.57 3.07 -1.23 0.00 -1.26 -5.01 105.19 103.82 2qgt n GLY 400 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2qgt n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgt s LYS 401 N -0.30 0.56 -0.29 1.61 1.02 -0.39 -4.34 119.74 117.61 2qgt s LYS 401 Ca 0.00 -0.90 -0.04 0.00 0.02 0.00 0.00 55.97 55.04 2qgt s LYS 401 Cb 0.00 -0.16 0.03 0.00 -0.52 0.00 0.00 37.83 37.18 2qgt s LYS 401 CO 0.00 0.00 0.03 -0.51 -0.92 0.00 0.00 175.35 173.96 2qgt s LEU 402 N -2.00 3.77 -1.16 3.17 1.43 0.53 -4.79 118.68 119.64 2qgt s LEU 402 Ca -0.05 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 51.97 2qgt s LEU 402 Cb -0.05 -1.79 0.15 0.00 0.03 0.00 0.00 46.19 44.53 2qgt s LEU 402 CO -0.02 -0.21 1.40 -0.22 0.23 0.00 0.00 176.35 177.53 2qgt s LEU 403 N 1.39 4.88 0.22 1.79 0.20 -1.26 -1.17 118.68 124.73 2qgt s LEU 403 Ca -0.00 -2.71 -0.09 0.00 0.69 0.00 0.00 54.13 52.02 2qgt s LEU 403 Cb -0.18 -2.42 0.17 0.00 -0.43 0.00 0.00 46.19 43.33 2qgt s LEU 403 CO 0.00 -0.87 1.85 -0.26 -0.29 0.00 0.00 176.35 176.78 2qgt h PHE 404 N 7.60 1.08 -3.52 5.38 0.04 -1.38 -3.43 116.94 122.72 2qgt h PHE 404 Ca 0.30 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 61.00 2qgt h PHE 404 Cb 0.91 -0.35 -0.12 0.00 2.20 0.00 0.00 35.95 38.59 2qgt h PHE 404 CO 1.15 0.73 -0.12 0.00 -0.60 0.00 0.00 178.31 179.47 2qgt s ALA 405 N -5.94 -0.63 0.55 2.45 0.00 -0.89 -4.91 121.76 112.38 2qgt s ALA 405 Ca -0.13 -0.39 0.21 0.00 0.00 0.00 0.00 51.96 51.65 2qgt s ALA 405 Cb 0.16 0.79 1.47 0.00 0.00 0.00 0.00 23.12 25.53 2qgt s ALA 405 CO 0.80 -0.70 2.17 -1.35 0.00 0.00 0.00 175.76 176.68 2qgt h PRO 406 N 2.38 0.00 -0.65 0.00 0.11 -1.88 -0.42 132.00 131.54 2qgt h PRO 406 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qgt h PRO 406 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qgt h PRO 406 CO 0.44 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.50 2qgt n ASN 407 N -4.28 4.68 -3.26 -2.05 6.94 -1.26 -4.72 115.26 111.31 2qgt n ASN 407 Ca -0.02 -2.48 -0.17 0.00 -0.02 0.00 0.00 54.58 51.89 2qgt n ASN 407 Cb 0.13 -0.58 -0.07 0.00 -2.36 0.00 0.00 39.78 36.90 2qgt n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qgt s LEU 408 N -1.87 0.04 -0.31 -4.53 2.96 -0.17 -4.80 118.68 110.00 2qgt s LEU 408 Ca 0.49 -2.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.41 2qgt s LEU 408 Cb 0.32 0.57 0.07 0.00 0.50 0.00 0.00 46.19 47.66 2qgt s LEU 408 CO 0.22 -0.19 0.01 -0.22 -1.32 0.00 0.00 176.35 174.85 2qgt s LEU 409 N 0.97 4.15 -0.08 -0.68 2.96 -1.25 -0.91 118.68 123.83 2qgt s LEU 409 Ca 0.23 -1.59 0.02 0.00 -0.22 0.00 0.00 54.13 52.57 2qgt s LEU 409 Cb -0.08 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 2qgt s LEU 409 CO -0.07 -0.31 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.76 2qgt s LEU 410 N 1.13 2.78 0.62 -0.68 1.43 -0.32 -4.88 118.68 118.77 2qgt s LEU 410 Ca -0.01 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2qgt s LEU 410 Cb -0.20 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.49 2qgt s LEU 410 CO -0.04 0.28 0.87 1.51 0.23 0.00 0.00 176.35 179.20 2qgt s ASP 411 N -0.33 4.93 0.46 2.29 1.47 -1.26 -0.34 116.67 123.89 2qgt s ASP 411 Ca 0.03 -0.08 0.12 0.00 1.18 0.00 0.00 52.55 53.80 2qgt s ASP 411 Cb -0.13 -0.61 1.05 0.00 -0.34 0.00 0.00 42.92 42.89 2qgt s ASP 411 CO 0.02 -1.42 2.07 0.08 0.68 0.00 0.00 175.17 176.60 2qgt h ARG 412 N -0.19 0.19 -0.30 2.11 0.11 -1.96 -1.68 114.38 112.66 2qgt h ARG 412 Ca -0.40 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.55 2qgt h ARG 412 Cb 1.29 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2qgt h ARG 412 CO 0.49 0.18 -0.27 -0.91 0.10 0.00 0.00 179.97 179.56 2qgt h ASN 413 N 0.19 0.61 0.25 0.08 2.35 -1.95 -1.81 115.58 115.30 2qgt h ASN 413 Ca 0.05 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 2qgt h ASN 413 Cb 0.08 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2qgt h ASN 413 CO -0.00 0.85 -0.42 1.56 -1.65 0.00 0.00 177.43 177.77 2qgt h GLN 414 N 0.52 0.22 -0.30 0.81 4.20 -1.72 -3.05 115.11 115.79 2qgt h GLN 414 Ca 0.07 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.73 2qgt h GLN 414 Cb 0.73 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2qgt h GLN 414 CO 0.06 0.60 0.21 0.78 -0.67 0.00 0.00 178.83 179.81 2qgt h GLY 415 N 1.23 0.20 2.00 3.46 0.00 -0.62 -2.31 103.07 107.03 2qgt h GLY 415 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2qgt h GLY 415 CO 0.06 0.05 0.00 0.50 0.00 0.00 0.00 176.54 177.16 2qgt h LYS 416 N 0.16 0.00 -0.26 4.80 1.57 -1.33 -2.54 116.57 118.98 2qgt h LYS 416 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2qgt h LYS 416 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2qgt h LYS 416 CO -0.02 0.00 0.09 0.00 -0.57 0.00 0.00 179.45 178.95 2qgt s VAL 418 N -5.18 5.04 0.15 0.00 1.01 -0.96 -3.92 120.40 116.54 2qgt s VAL 418 Ca -0.07 0.06 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 2qgt s VAL 418 Cb 0.17 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.10 2qgt s VAL 418 CO 0.72 0.38 1.69 1.21 0.00 0.00 0.00 175.10 179.10 2qgt n GLU 419 N 4.11 2.42 -0.17 2.72 2.13 -1.26 -1.69 120.64 128.89 2qgt n GLU 419 Ca -0.16 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2qgt n GLU 419 Cb 0.52 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2qgt n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qgt n GLY 420 N 3.78 2.56 0.09 8.31 0.00 -1.26 -4.90 105.19 113.77 2qgt n GLY 420 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2qgt n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qgt h MET 421 N 2.10 0.14 -0.20 1.61 4.05 -1.56 -3.32 114.93 117.75 2qgt h MET 421 Ca 0.00 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 2qgt h MET 421 Cb 0.00 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2qgt h MET 421 CO 0.00 1.07 0.14 -0.24 0.23 0.00 0.00 176.91 178.10 2qgt h VAL 422 N 0.05 0.98 -0.48 -5.77 3.04 -1.74 0.21 116.25 112.54 2qgt h VAL 422 Ca -0.06 -0.05 -0.10 0.00 -1.01 0.00 0.00 66.70 65.48 2qgt h VAL 422 Cb 1.78 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.86 2qgt h VAL 422 CO 0.16 0.03 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.33 2qgt h GLU 423 N 0.14 0.86 -0.15 4.17 3.07 -1.95 -0.11 114.58 120.61 2qgt h GLU 423 Ca 0.08 -0.28 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 2qgt h GLU 423 Cb 0.16 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2qgt h GLU 423 CO -0.01 0.91 -0.31 0.82 -1.40 0.00 0.00 179.01 179.02 2qgt h ILE 424 N 0.78 1.36 -0.57 3.13 5.03 -1.19 -2.83 117.51 123.22 2qgt h ILE 424 Ca 0.13 -1.57 0.10 0.00 -0.12 0.00 0.00 64.86 63.40 2qgt h ILE 424 Cb 0.59 1.99 -0.08 0.00 -3.03 0.00 0.00 36.82 36.29 2qgt h ILE 424 CO 0.04 0.47 0.16 -0.26 -0.68 0.00 0.00 178.15 177.88 2qgt h PHE 425 N 0.10 0.26 -0.79 1.37 -1.00 -0.90 -0.70 116.94 115.28 2qgt h PHE 425 Ca 0.00 0.03 0.11 0.00 2.81 0.00 0.00 57.97 60.93 2qgt h PHE 425 Cb 0.91 -0.03 -0.08 0.00 3.61 0.00 0.00 35.95 40.36 2qgt h PHE 425 CO 0.10 0.02 0.41 -0.44 -1.61 0.00 0.00 178.31 176.79 2qgt h ASP 426 N 0.31 0.52 -0.13 2.17 3.32 -0.99 0.11 116.42 121.73 2qgt h ASP 426 Ca 0.29 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2qgt h ASP 426 Cb 0.40 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2qgt h ASP 426 CO -0.34 0.27 0.04 0.24 -1.72 0.00 0.00 179.24 177.73 2qgt h MET 427 N 0.65 0.21 -0.67 3.56 2.86 -1.03 -0.28 114.93 120.22 2qgt h MET 427 Ca 0.40 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2qgt h MET 427 Cb 0.47 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 2qgt h MET 427 CO -0.30 0.36 0.43 -0.07 1.06 0.00 0.00 176.91 178.38 2qgt h LEU 428 N 0.02 0.71 -0.32 1.22 3.38 -0.74 -0.51 115.31 119.08 2qgt h LEU 428 Ca 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qgt h LEU 428 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qgt h LEU 428 CO -0.00 0.50 0.13 -0.07 0.09 0.00 0.00 178.44 179.09 2qgt h LEU 429 N 0.84 0.43 -0.88 1.67 3.38 -0.73 -0.27 115.31 119.76 2qgt h LEU 429 Ca 0.26 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2qgt h LEU 429 Cb -0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 2qgt h LEU 429 CO -0.09 0.47 0.54 0.00 0.09 0.00 0.00 178.44 179.45 2qgt h ALA 430 N 0.98 1.24 -0.42 1.53 0.00 -0.76 -0.40 119.26 121.43 2qgt h ALA 430 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2qgt h ALA 430 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qgt h ALA 430 CO -0.01 0.26 -0.31 1.15 0.00 0.00 0.00 179.25 180.33 2qgt h THR 431 N 0.96 1.27 -0.77 0.00 2.02 -0.78 -1.03 112.91 114.59 2qgt h THR 431 Ca 0.40 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2qgt h THR 431 Cb 0.24 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 2qgt h THR 431 CO -0.20 0.50 0.44 -1.28 0.37 0.00 0.00 175.52 175.35 2qgt h SER 432 N 0.78 0.93 -0.52 4.18 0.87 -0.67 -1.78 113.55 117.34 2qgt h SER 432 Ca 0.08 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2qgt h SER 432 Cb 0.89 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 2qgt h SER 432 CO 0.08 0.74 0.12 0.28 -0.53 0.00 0.00 176.83 177.52 2qgt h SER 433 N 1.06 0.84 -0.53 6.23 0.02 -0.69 -1.80 113.55 118.69 2qgt h SER 433 Ca 0.27 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2qgt h SER 433 Cb -0.00 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2qgt h SER 433 CO -0.05 0.83 0.29 -0.09 -1.14 0.00 0.00 176.83 176.68 2qgt h ARG 434 N 0.86 0.56 -0.71 3.45 9.65 -0.70 -0.43 114.38 127.06 2qgt h ARG 434 Ca 0.18 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 2qgt h ARG 434 Cb 0.34 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 2qgt h ARG 434 CO 0.00 0.37 0.41 0.74 2.80 0.00 0.00 179.97 184.29 2qgt h PHE 435 N 0.58 0.76 -0.20 2.20 -1.00 -0.93 0.11 116.94 118.46 2qgt h PHE 435 Ca 0.23 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.93 2qgt h PHE 435 Cb 0.09 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.41 2qgt h PHE 435 CO -0.08 0.38 -0.25 -0.09 -1.61 0.00 0.00 178.31 176.66 2qgt h ARG 436 N 0.76 0.52 -0.33 1.51 2.43 -1.13 -0.95 114.38 117.19 2qgt h ARG 436 Ca 0.31 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2qgt h ARG 436 Cb 0.16 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2qgt h ARG 436 CO -0.17 0.89 0.04 1.98 -1.51 0.00 0.00 179.97 181.20 2qgt h MET 437 N 0.18 0.14 0.00 0.20 4.05 -0.71 -2.06 114.93 116.74 2qgt h MET 437 Ca 0.02 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2qgt h MET 437 Cb 0.82 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 2qgt h MET 437 CO 0.06 0.09 0.00 -1.33 0.23 0.00 0.00 176.91 175.96 2qgt n MET 438 N -5.13 0.18 -3.46 0.39 2.81 -0.01 -4.92 117.12 106.98 2qgt n MET 438 Ca 0.01 0.38 -0.19 0.00 -1.81 0.00 0.00 57.70 56.09 2qgt n MET 438 Cb 0.16 -1.82 0.08 0.00 -0.71 0.00 0.00 33.22 30.93 2qgt n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qgt n ASN 439 N -2.15 -3.54 -4.71 7.83 4.05 -0.59 -4.90 115.26 111.25 2qgt n ASN 439 Ca 0.03 -0.58 -0.43 0.00 0.45 0.00 0.00 54.58 54.04 2qgt n ASN 439 Cb 0.24 -5.01 -0.03 0.00 1.23 0.00 0.00 39.78 36.22 2qgt n ASN 439 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2qgt n LEU 440 N -4.37 3.75 -4.91 1.20 7.94 -0.47 -4.97 117.00 115.17 2qgt n LEU 440 Ca -0.18 1.11 -0.32 0.00 -1.11 0.00 0.00 56.01 55.51 2qgt n LEU 440 Cb 0.63 -1.52 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 2qgt n LEU 440 CO 0.61 -0.07 -0.15 -1.10 -1.11 0.00 0.00 177.39 175.58 2qgt s GLN 441 N 0.21 3.45 0.36 1.96 -1.52 -1.26 -4.96 119.66 117.89 2qgt s GLN 441 Ca 0.71 -0.39 0.06 0.00 -1.95 0.00 0.00 55.36 53.79 2qgt s GLN 441 Cb -0.57 -3.05 0.75 0.00 -0.22 0.00 0.00 33.01 29.93 2qgt s GLN 441 CO 0.43 0.62 1.94 0.78 -0.25 0.00 0.00 175.29 178.81 2qgt h GLY 442 N 3.27 1.01 1.44 3.09 0.00 -1.99 0.13 103.07 110.02 2qgt h GLY 442 Ca -0.46 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.46 2qgt h GLY 442 CO 0.74 0.20 -0.22 0.83 0.00 0.00 0.00 176.54 178.09 2qgt h GLU 443 N 0.75 0.65 -0.24 4.80 3.07 -1.99 -1.55 114.58 120.06 2qgt h GLU 443 Ca 0.34 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 2qgt h GLU 443 Cb 0.36 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2qgt h GLU 443 CO -0.12 0.82 -0.25 0.93 -1.40 0.00 0.00 179.01 178.99 2qgt h GLU 444 N 0.57 0.60 -0.65 2.33 5.08 -1.42 -3.10 114.58 117.99 2qgt h GLU 444 Ca 0.08 -0.32 0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2qgt h GLU 444 Cb 0.69 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 2qgt h GLU 444 CO 0.05 0.91 0.24 0.35 -1.00 0.00 0.00 179.01 179.57 2qgt h PHE 445 N 0.30 0.42 -0.14 4.33 3.57 -0.60 -2.10 116.94 122.72 2qgt h PHE 445 Ca 0.04 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2qgt h PHE 445 Cb 0.81 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2qgt h PHE 445 CO 0.08 0.08 -0.47 -0.39 -2.23 0.00 0.00 178.31 175.38 2qgt h VAL 446 N 0.41 1.33 -0.42 1.41 -1.51 -1.30 -2.09 116.25 114.08 2qgt h VAL 446 Ca 0.34 -1.68 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2qgt h VAL 446 Cb 0.45 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.34 2qgt h VAL 446 CO -0.34 0.51 0.24 0.00 -1.23 0.00 0.00 177.57 176.74 2qgt h LEU 448 N 0.55 0.60 -0.78 0.00 3.38 -1.08 -1.27 115.31 116.70 2qgt h LEU 448 Ca 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qgt h LEU 448 Cb 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2qgt h LEU 448 CO -0.02 0.58 0.43 0.50 0.09 0.00 0.00 178.44 180.02 2qgt h LYS 449 N 0.58 1.09 -0.36 1.13 3.64 -1.40 -1.05 116.57 120.20 2qgt h LYS 449 Ca 0.15 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2qgt h LYS 449 Cb 0.15 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2qgt h LYS 449 CO -0.02 0.80 -0.29 0.77 -2.27 0.00 0.00 179.45 178.45 2qgt h SER 450 N 1.08 0.78 -0.66 4.20 0.02 -1.26 -2.67 113.55 115.05 2qgt h SER 450 Ca 0.28 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2qgt h SER 450 Cb 0.03 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2qgt h SER 450 CO -0.04 1.02 0.28 0.40 -1.14 0.00 0.00 176.83 177.35 2qgt h ILE 451 N 0.65 1.23 -0.03 3.27 2.04 -0.95 -1.72 117.51 121.99 2qgt h ILE 451 Ca 0.08 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.26 2qgt h ILE 451 Cb 0.81 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2qgt h ILE 451 CO 0.07 0.28 -0.14 0.40 0.00 0.00 0.00 178.15 178.76 2qgt h ILE 452 N 0.92 0.65 -0.47 -0.67 2.04 -1.07 0.32 117.51 119.23 2qgt h ILE 452 Ca 0.22 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 2qgt h ILE 452 Cb 0.18 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 2qgt h ILE 452 CO -0.02 0.00 -0.13 0.25 0.00 0.00 0.00 178.15 178.25 2qgt h LEU 453 N -0.21 -0.47 0.00 1.44 5.85 -1.23 -1.34 115.31 119.35 2qgt h LEU 453 Ca 0.06 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.78 2qgt h LEU 453 Cb 0.29 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2qgt h LEU 453 CO -0.16 -0.16 -0.77 -0.07 -0.34 0.00 0.00 178.44 176.94 2qgt h LEU 454 N -0.01 0.00 0.05 2.25 3.38 -1.00 -3.39 115.31 116.58 2qgt h LEU 454 Ca 0.22 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.82 2qgt h LEU 454 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2qgt h LEU 454 CO -0.49 0.65 -2.18 -3.20 0.09 0.00 0.00 178.44 173.31 2qgt n ASN 455 N -3.21 2.02 -0.27 -0.43 5.15 0.11 -4.25 115.26 114.38 2qgt n ASN 455 Ca -0.00 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2qgt n ASN 455 Cb 0.81 -0.69 0.13 0.00 -0.53 0.00 0.00 39.78 39.49 2qgt n ASN 455 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2qgt h SER 456 N -0.20 0.64 -0.64 1.20 0.02 -1.44 -1.48 113.55 111.66 2qgt h SER 456 Ca -0.51 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2qgt h SER 456 Cb 1.86 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.30 2qgt h SER 456 CO -0.08 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 2qgt n GLY 457 N -1.31 2.36 0.13 -3.77 0.00 -1.26 -4.66 105.19 96.68 2qgt n GLY 457 Ca 0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2qgt n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qgt h VAL 458 N 3.89 1.48 0.00 1.61 3.04 -1.44 -3.07 116.25 121.76 2qgt h VAL 458 Ca 0.00 -2.58 -0.02 0.00 -1.01 0.00 0.00 66.70 63.09 2qgt h VAL 458 Cb 1.16 2.45 -0.00 0.00 -2.01 0.00 0.00 31.29 32.88 2qgt h VAL 458 CO 0.12 0.75 -0.78 1.88 -1.01 0.00 0.00 177.57 178.53 2qgt h TYR 459 N 0.13 0.00 -0.32 3.17 0.05 -1.83 -3.34 116.97 114.83 2qgt h TYR 459 Ca -0.05 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.51 2qgt h TYR 459 Cb 1.51 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.15 2qgt h TYR 459 CO 0.03 0.07 0.28 -2.37 -1.05 0.00 0.00 178.16 175.13 2qgt n THR 460 N -2.82 2.53 0.00 -2.88 5.66 -1.16 -5.26 114.28 110.35 2qgt n THR 460 Ca 0.00 -1.28 0.00 0.00 -3.05 0.00 0.00 64.05 59.72 2qgt n THR 460 Cb 0.58 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 2qgt n THR 460 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2qgt n PHE 461 N 0.73 0.00 0.00 1.09 0.99 -1.26 -5.06 117.46 113.95 2qgt n PHE 461 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 2qgt n PHE 461 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.03 2qgt n PHE 461 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2qgt n LEU 469 N 0.00 0.80 0.11 4.37 -0.00 -1.26 -5.17 117.00 115.85 2qgt n LEU 469 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2qgt n LEU 469 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2qgt n LEU 469 CO 0.00 0.13 0.36 -0.33 -0.00 0.00 0.00 177.39 177.55 2qgt h GLU 470 N 0.00 0.00 0.00 1.96 4.39 -2.05 -3.04 114.58 115.84 2qgt h GLU 470 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2qgt h GLU 470 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2qgt h GLU 470 CO 0.00 0.69 -0.27 0.93 -1.16 0.00 0.00 179.01 179.20 2qgt h GLU 471 N 0.00 0.00 -0.29 2.33 5.08 -2.00 -2.22 114.58 117.48 2qgt h GLU 471 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2qgt h GLU 471 Cb 1.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2qgt h GLU 471 CO 0.09 0.27 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.09 2qgt h LYS 472 N 0.00 0.55 -0.77 2.33 3.64 -1.94 -1.23 116.57 119.15 2qgt h LYS 472 Ca -0.00 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2qgt h LYS 472 Cb 0.78 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 2qgt h LYS 472 CO 0.04 0.75 0.45 0.22 -2.27 0.00 0.00 179.45 178.64 2qgt h ASP 473 N 0.32 0.95 -0.70 4.20 3.58 -1.43 -2.15 116.42 121.18 2qgt h ASP 473 Ca 0.07 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2qgt h ASP 473 Cb 0.54 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2qgt h ASP 473 CO 0.03 0.75 0.41 -0.74 -2.88 0.00 0.00 179.24 176.80 2qgt h HIS 474 N 1.06 0.94 -0.39 0.28 2.76 -1.29 -0.96 115.15 117.56 2qgt h HIS 474 Ca 0.28 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2qgt h HIS 474 Cb -0.01 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 2qgt h HIS 474 CO -0.00 0.65 0.23 0.82 -1.30 0.00 0.00 177.93 178.33 2qgt h ILE 475 N 0.96 1.13 -0.22 6.26 1.08 -0.96 -2.27 117.51 123.50 2qgt h ILE 475 Ca 0.25 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 64.37 2qgt h ILE 475 Cb 0.00 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 2qgt h ILE 475 CO -0.04 0.13 -0.11 0.45 -0.69 0.00 0.00 178.15 177.88 2qgt h HIS 476 N 0.51 0.37 -0.37 1.37 3.86 -1.03 0.52 115.15 120.37 2qgt h HIS 476 Ca 0.14 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2qgt h HIS 476 Cb 0.00 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2qgt h HIS 476 CO -0.04 0.46 0.20 0.00 0.86 0.00 0.00 177.93 179.41 2qgt h ARG 477 N 0.33 0.53 -0.53 2.45 3.08 -0.96 -1.12 114.38 118.17 2qgt h ARG 477 Ca 0.07 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2qgt h ARG 477 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2qgt h ARG 477 CO 0.02 0.44 0.14 0.28 -1.07 0.00 0.00 179.97 179.79 2qgt h VAL 478 N 0.47 1.24 -0.73 2.04 2.07 -0.81 -0.82 116.25 119.71 2qgt h VAL 478 Ca 0.13 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.86 2qgt h VAL 478 Cb 0.08 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2qgt h VAL 478 CO -0.02 0.30 0.46 -0.07 0.02 0.00 0.00 177.57 178.26 2qgt h LEU 479 N 0.73 0.74 -0.70 2.57 3.38 -0.81 -0.30 115.31 120.93 2qgt h LEU 479 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2qgt h LEU 479 Cb 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2qgt h LEU 479 CO -0.00 0.51 0.33 0.44 0.09 0.00 0.00 178.44 179.80 2qgt h ASP 480 N 0.88 0.92 -0.68 -0.43 3.32 -0.88 -2.33 116.42 117.22 2qgt h ASP 480 Ca 0.30 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2qgt h ASP 480 Cb 0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2qgt h ASP 480 CO -0.12 0.80 0.42 0.11 -1.72 0.00 0.00 179.24 178.73 2qgt h LYS 481 N 0.98 0.93 -0.22 3.56 1.57 -0.38 -1.49 116.57 121.53 2qgt h LYS 481 Ca 0.24 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2qgt h LYS 481 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qgt h LYS 481 CO -0.03 0.65 -0.21 0.82 -0.57 0.00 0.00 179.45 180.11 2qgt h ILE 482 N 0.95 1.24 -0.09 1.86 2.04 -0.63 -1.53 117.51 121.36 2qgt h ILE 482 Ca 0.25 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2qgt h ILE 482 Cb -0.04 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2qgt h ILE 482 CO -0.05 0.35 0.04 0.74 0.00 0.00 0.00 178.15 179.23 2qgt h THR 483 N 0.35 1.15 -1.00 -0.27 2.02 -0.99 0.12 112.91 114.29 2qgt h THR 483 Ca 0.06 -0.45 0.14 0.00 0.77 0.00 0.00 66.41 66.93 2qgt h THR 483 Cb 0.57 1.28 -0.09 0.00 -1.74 0.00 0.00 68.15 68.17 2qgt h THR 483 CO 0.04 0.13 0.62 0.44 0.37 0.00 0.00 175.52 177.12 2qgt h ASP 484 N -0.01 0.87 -0.44 4.18 3.32 -1.07 -1.57 116.42 121.70 2qgt h ASP 484 Ca 0.03 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 2qgt h ASP 484 Cb 0.18 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2qgt h ASP 484 CO -0.00 0.43 -0.07 0.74 -1.72 0.00 0.00 179.24 178.62 2qgt h THR 485 N 0.92 1.27 -0.50 0.35 2.02 -0.88 -0.90 112.91 115.19 2qgt h THR 485 Ca 0.51 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2qgt h THR 485 Cb 0.61 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2qgt h THR 485 CO -0.29 0.40 0.28 -0.07 0.37 0.00 0.00 175.52 176.21 2qgt h LEU 486 N 0.65 0.61 0.10 2.58 3.38 -0.19 -1.45 115.31 121.00 2qgt h LEU 486 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2qgt h LEU 486 Cb 0.59 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qgt h LEU 486 CO 0.04 0.51 -0.05 0.40 0.09 0.00 0.00 178.44 179.43 2qgt h ILE 487 N 0.66 1.04 -0.78 1.22 5.03 -1.15 -1.52 117.51 122.01 2qgt h ILE 487 Ca 0.18 -0.54 0.17 0.00 -0.12 0.00 0.00 64.86 64.55 2qgt h ILE 487 Cb 0.03 1.38 -0.14 0.00 -3.03 0.00 0.00 36.82 35.06 2qgt h ILE 487 CO -0.03 0.13 -0.08 -0.74 -0.68 0.00 0.00 178.15 176.75 2qgt h HIS 488 N -0.39 -0.21 -0.86 1.37 -0.00 -1.12 0.21 115.15 114.15 2qgt h HIS 488 Ca -0.01 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2qgt h HIS 488 Cb 0.32 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.90 2qgt h HIS 488 CO 0.01 -0.30 0.54 -0.07 -0.00 0.00 0.00 177.93 178.11 2qgt h LEU 489 N 0.05 1.03 -0.16 0.26 3.38 -0.81 -0.67 115.31 118.40 2qgt h LEU 489 Ca 0.41 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 2qgt h LEU 489 Cb 0.70 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qgt h LEU 489 CO -0.74 0.78 -0.16 0.24 0.09 0.00 0.00 178.44 178.64 2qgt h MET 490 N 1.18 0.38 -0.29 1.13 2.86 -0.15 -1.57 114.93 118.47 2qgt h MET 490 Ca 0.31 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2qgt h MET 490 Cb -0.07 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2qgt h MET 490 CO -0.06 0.77 0.05 0.00 1.06 0.00 0.00 176.91 178.72 2qgt h ALA 491 N 0.61 0.30 -0.14 6.32 0.00 -0.51 -1.48 119.26 124.35 2qgt h ALA 491 Ca 0.02 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2qgt h ALA 491 Cb 0.70 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2qgt h ALA 491 CO 0.04 -0.36 -0.13 -0.22 0.00 0.00 0.00 179.25 178.58 2qgt h LYS 492 N 0.15 0.23 0.00 0.00 3.64 -1.12 0.12 116.57 119.59 2qgt h LYS 492 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2qgt h LYS 492 Cb 0.15 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2qgt h LYS 492 CO -0.19 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.36 2qgt n ALA 493 N -2.49 2.25 -0.63 5.00 0.00 -0.60 -4.90 120.51 119.14 2qgt n ALA 493 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2qgt n ALA 493 Cb 0.27 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qgt n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qgt n GLY 494 N 0.61 0.63 3.77 0.00 0.00 0.03 -5.06 105.19 105.17 2qgt n GLY 494 Ca 0.13 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2qgt n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qgt s LEU 495 N 0.00 4.15 0.84 0.99 1.02 -0.60 -5.01 118.68 120.08 2qgt s LEU 495 Ca 0.00 2.38 -0.11 0.00 0.02 0.00 0.00 54.13 56.41 2qgt s LEU 495 Cb 0.00 -4.06 0.10 0.00 0.02 0.00 0.00 46.19 42.25 2qgt s LEU 495 CO 0.00 -0.76 1.09 0.42 0.02 0.00 0.00 176.35 177.13 2qgt s THR 496 N -1.42 2.87 0.21 5.49 -4.23 -1.26 -4.52 115.64 112.77 2qgt s THR 496 Ca 0.59 0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 61.28 2qgt s THR 496 Cb -0.31 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 70.78 2qgt s THR 496 CO 0.39 -0.37 1.73 0.25 -0.54 0.00 0.00 174.62 176.08 2qgt h LEU 497 N -1.31 0.12 -0.37 4.79 6.46 -1.99 0.13 115.31 123.14 2qgt h LEU 497 Ca -0.48 0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 2qgt h LEU 497 Cb 1.27 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.29 2qgt h LEU 497 CO 0.57 0.07 0.02 1.56 -0.62 0.00 0.00 178.44 180.05 2qgt h GLN 498 N 0.33 0.63 -0.11 1.25 4.20 -2.01 -2.62 115.11 116.79 2qgt h GLN 498 Ca 0.31 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2qgt h GLN 498 Cb 0.41 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2qgt h GLN 498 CO -0.35 0.72 0.03 1.96 -0.67 0.00 0.00 178.83 180.53 2qgt h GLN 499 N 0.46 0.14 -0.32 1.46 4.20 -1.74 -2.19 115.11 117.11 2qgt h GLN 499 Ca 0.11 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 2qgt h GLN 499 Cb 0.42 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2qgt h GLN 499 CO 0.01 0.13 -0.05 1.96 -0.67 0.00 0.00 178.83 180.21 2qgt h GLN 500 N 0.14 0.60 0.02 1.46 4.20 -0.40 -1.62 115.11 119.52 2qgt h GLN 500 Ca 0.04 -0.22 -0.20 0.00 0.06 0.00 0.00 58.65 58.33 2qgt h GLN 500 Cb 0.04 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2qgt h GLN 500 CO -0.00 0.77 -0.92 1.12 -0.67 0.00 0.00 178.83 179.13 2qgt h HIS 501 N 0.39 0.19 -0.56 2.96 2.07 -1.27 -2.14 115.15 116.80 2qgt h HIS 501 Ca 0.08 -0.12 -0.08 0.00 -2.85 0.00 0.00 60.37 57.41 2qgt h HIS 501 Cb 0.53 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 30.47 2qgt h HIS 501 CO 0.05 0.97 0.03 1.96 -3.07 0.00 0.00 177.93 177.87 2qgt h GLN 502 N 0.06 0.93 0.01 5.12 4.20 -1.40 -2.34 115.11 121.68 2qgt h GLN 502 Ca -0.04 -0.25 -0.22 0.00 0.06 0.00 0.00 58.65 58.20 2qgt h GLN 502 Cb 1.58 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 29.27 2qgt h GLN 502 CO 0.13 0.90 -0.85 -0.09 -0.67 0.00 0.00 178.83 178.26 2qgt h ARG 503 N 0.86 0.56 -0.56 1.46 2.43 -1.31 -2.43 114.38 115.40 2qgt h ARG 503 Ca 0.17 -0.61 0.11 0.00 -0.81 0.00 0.00 59.98 58.84 2qgt h ARG 503 Cb 0.46 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 30.09 2qgt h ARG 503 CO 0.02 1.23 -0.05 1.25 -1.51 0.00 0.00 179.97 180.90 2qgt h LEU 504 N 0.15 -0.35 -0.01 3.80 5.85 -1.34 0.40 115.31 123.82 2qgt h LEU 504 Ca -0.11 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qgt h LEU 504 Cb 1.53 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2qgt h LEU 504 CO 0.17 -0.13 -0.00 0.00 -0.34 0.00 0.00 178.44 178.13 2qgt h ALA 505 N 1.53 0.00 -0.81 1.25 0.00 -1.44 -1.58 119.26 118.21 2qgt h ALA 505 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2qgt h ALA 505 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2qgt h ALA 505 CO -0.52 -0.50 0.41 1.96 0.00 0.00 0.00 179.25 180.60 2qgt h GLN 506 N 0.00 0.59 -0.33 0.00 4.20 -0.98 -0.38 115.11 118.21 2qgt h GLN 506 Ca 0.00 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 2qgt h GLN 506 Cb 0.00 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2qgt h GLN 506 CO -0.01 0.39 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.16 2qgt h LEU 507 N 0.61 0.86 -0.69 1.46 3.38 -0.76 -3.08 115.31 117.10 2qgt h LEU 507 Ca 0.43 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2qgt h LEU 507 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2qgt h LEU 507 CO -0.34 1.14 -0.54 -0.07 0.09 0.00 0.00 178.44 178.73 2qgt h LEU 508 N 0.58 0.00 -2.11 1.67 3.38 -0.85 -2.56 115.31 115.42 2qgt h LEU 508 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2qgt h LEU 508 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2qgt h LEU 508 CO 0.08 0.54 -0.08 -0.07 0.09 0.00 0.00 178.44 179.00 2qgt h LEU 509 N 0.00 0.00 -0.86 1.67 3.38 -1.04 -1.77 115.31 116.69 2qgt h LEU 509 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2qgt h LEU 509 Cb 1.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 2qgt h LEU 509 CO 0.07 0.08 0.47 0.40 0.09 0.00 0.00 178.44 179.55 2qgt h ILE 510 N 0.00 0.82 0.00 1.22 1.08 -1.37 -2.39 117.51 116.87 2qgt h ILE 510 Ca -0.00 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 2qgt h ILE 510 Cb 0.22 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2qgt h ILE 510 CO 0.01 0.13 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.44 2qgt h LEU 511 N 0.73 0.00 -0.30 1.44 3.38 -1.44 -0.06 115.31 119.06 2qgt h LEU 511 Ca 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 2qgt h LEU 511 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2qgt h LEU 511 CO -0.31 0.09 0.18 -1.28 0.09 0.00 0.00 178.44 177.21 2qgt h SER 512 N 0.00 0.36 -0.51 -0.43 0.87 -1.52 -1.32 113.55 111.01 2qgt h SER 512 Ca -0.00 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 2qgt h SER 512 Cb 0.18 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2qgt h SER 512 CO 0.01 0.32 0.07 0.45 -0.53 0.00 0.00 176.83 177.15 2qgt h HIS 513 N 0.38 0.95 -0.44 2.24 3.86 -1.27 -2.12 115.15 118.74 2qgt h HIS 513 Ca 0.11 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 2qgt h HIS 513 Cb 0.02 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 2qgt h HIS 513 CO -0.04 0.82 -0.18 0.82 0.86 0.00 0.00 177.93 180.21 2qgt h ILE 514 N 0.85 1.27 -0.14 2.45 1.08 -0.92 -1.53 117.51 120.56 2qgt h ILE 514 Ca 0.17 -1.30 -0.00 0.00 -0.39 0.00 0.00 64.86 63.33 2qgt h ILE 514 Cb 0.40 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2qgt h ILE 514 CO 0.01 0.45 0.08 -0.09 -0.69 0.00 0.00 178.15 177.90 2qgt h ARG 515 N 0.76 0.20 -0.15 2.37 9.65 -1.12 -1.24 114.38 124.85 2qgt h ARG 515 Ca 0.11 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2qgt h ARG 515 Cb 0.71 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 2qgt h ARG 515 CO 0.05 0.23 -0.01 1.25 2.80 0.00 0.00 179.97 184.29 2qgt h HIS 516 N 0.13 -0.03 -0.96 2.20 2.76 -1.13 -1.18 115.15 116.93 2qgt h HIS 516 Ca 0.05 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2qgt h HIS 516 Cb 0.09 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 2qgt h HIS 516 CO -0.04 -0.04 0.63 0.52 -1.30 0.00 0.00 177.93 177.71 2qgt h MET 517 N 0.03 1.27 -0.16 5.26 2.86 -1.18 -1.39 114.93 121.62 2qgt h MET 517 Ca 0.07 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2qgt h MET 517 Cb 0.09 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2qgt h MET 517 CO -0.13 0.85 0.09 1.03 1.06 0.00 0.00 176.91 179.81 2qgt h SER 518 N 1.31 0.14 -0.63 1.22 0.87 -0.65 0.12 113.55 115.94 2qgt h SER 518 Ca 0.35 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2qgt h SER 518 Cb -0.14 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 2qgt h SER 518 CO -0.07 0.11 0.39 0.78 -0.53 0.00 0.00 176.83 177.51 2qgt h ASN 519 N 0.19 0.65 -0.48 6.23 2.35 -0.61 0.25 115.58 124.16 2qgt h ASN 519 Ca 0.06 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2qgt h ASN 519 Cb -0.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2qgt h ASN 519 CO -0.03 0.46 0.08 0.11 -1.65 0.00 0.00 177.43 176.39 2qgt h LYS 520 N 0.78 0.80 -0.89 0.81 1.79 -1.15 -2.54 116.57 116.17 2qgt h LYS 520 Ca 0.25 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2qgt h LYS 520 Cb -0.01 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 2qgt h LYS 520 CO -0.09 0.80 0.47 0.78 -1.08 0.00 0.00 179.45 180.33 2qgt h GLY 521 N 0.67 1.34 0.96 3.86 0.00 0.01 -1.73 103.07 108.17 2qgt h GLY 521 Ca 0.15 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 2qgt h GLY 521 CO 0.01 0.60 0.14 1.98 0.00 0.00 0.00 176.54 179.26 2qgt h MET 522 N 1.25 0.70 -0.86 4.80 -1.53 -0.40 0.61 114.93 119.50 2qgt h MET 522 Ca 0.31 -0.15 0.03 0.00 -3.44 0.00 0.00 59.70 56.44 2qgt h MET 522 Cb 0.05 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 30.95 2qgt h MET 522 CO -0.05 0.68 0.56 0.93 0.14 0.00 0.00 176.91 179.17 2qgt h GLU 523 N 0.59 1.08 -0.01 0.39 5.08 -1.35 -0.28 114.58 120.08 2qgt h GLU 523 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qgt h GLU 523 Cb 0.27 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qgt h GLU 523 CO -0.00 0.71 -0.00 1.25 -1.00 0.00 0.00 179.01 179.96 2qgt h HIS 524 N 1.11 0.03 -0.76 4.33 2.76 -0.93 -1.12 115.15 120.56 2qgt h HIS 524 Ca 0.34 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.54 2qgt h HIS 524 Cb -0.04 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 2qgt h HIS 524 CO -0.02 0.43 0.48 1.25 -1.30 0.00 0.00 177.93 178.77 2qgt h LEU 525 N -0.38 0.78 -0.43 0.26 5.85 -0.78 -0.76 115.31 119.84 2qgt h LEU 525 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2qgt h LEU 525 Cb 0.42 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2qgt h LEU 525 CO 0.00 0.53 0.27 0.22 -0.34 0.00 0.00 178.44 179.12 2qgt h TYR 526 N 0.92 0.56 -0.77 1.25 5.03 -0.98 -0.30 116.97 122.68 2qgt h TYR 526 Ca 0.31 0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.78 2qgt h TYR 526 Cb 0.05 -0.19 -0.10 0.00 1.55 0.00 0.00 36.73 38.05 2qgt h TYR 526 CO -0.04 0.37 0.31 1.03 -1.32 0.00 0.00 178.16 178.51 2qgt h SER 527 N 0.58 0.28 -0.41 -2.11 0.87 -0.56 0.08 113.55 112.28 2qgt h SER 527 Ca 0.16 0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 2qgt h SER 527 Cb -0.03 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2qgt h SER 527 CO -0.03 0.10 -0.31 0.24 -0.53 0.00 0.00 176.83 176.30 2qgt h MET 528 N 0.44 0.95 0.22 2.24 2.86 -0.27 -2.23 114.93 119.14 2qgt h MET 528 Ca 0.42 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2qgt h MET 528 Cb 0.65 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2qgt h MET 528 CO -0.41 1.12 -0.14 -0.22 1.06 0.00 0.00 176.91 178.31 2qgt h LYS 529 N 0.79 -0.35 0.00 1.72 3.11 -0.77 -0.95 116.57 120.13 2qgt h LYS 529 Ca 0.08 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 2qgt h LYS 529 Cb 0.89 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 2qgt h LYS 529 CO 0.08 -0.23 0.00 0.00 -2.81 0.00 0.00 179.45 176.49 2qgt n LYS 531 N -2.58 3.55 -3.54 0.00 2.85 -0.85 -4.97 118.16 112.61 2qgt n LYS 531 Ca 0.01 -2.98 -0.26 0.00 -1.05 0.00 0.00 58.31 54.03 2qgt n LYS 531 Cb 0.23 -2.00 0.01 0.00 -0.65 0.00 0.00 35.03 32.61 2qgt n LYS 531 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qgt n ASN 532 N -0.17 -4.46 -0.03 -5.58 5.03 -0.34 -4.88 115.26 104.83 2qgt n ASN 532 Ca 0.25 -0.54 -0.16 0.00 0.87 0.00 0.00 54.58 55.00 2qgt n ASN 532 Cb 1.03 -3.62 -0.08 0.00 -1.02 0.00 0.00 39.78 36.08 2qgt n ASN 532 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2qgt h VAL 533 N -1.45 1.35 -3.69 2.41 2.07 -1.39 -3.46 116.25 112.09 2qgt h VAL 533 Ca -0.51 -1.84 -0.21 0.00 0.82 0.00 0.00 66.70 64.97 2qgt h VAL 533 Cb 1.34 2.16 -0.26 0.00 -1.52 0.00 0.00 31.29 33.01 2qgt h VAL 533 CO 0.60 0.56 -0.67 0.68 0.02 0.00 0.00 177.57 178.76 2qgt s VAL 534 N -3.69 0.02 0.02 2.57 -7.23 -1.25 -4.63 120.40 106.20 2qgt s VAL 534 Ca -0.12 -0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 59.58 2qgt s VAL 534 Cb 0.06 -0.12 -0.04 0.00 0.56 0.00 0.00 36.38 36.84 2qgt s VAL 534 CO 0.84 -0.11 0.85 -2.16 -0.31 0.00 0.00 175.10 174.21 2qgt s PRO 535 N -0.32 4.54 -0.02 4.82 0.04 -1.26 -4.61 135.00 138.19 2qgt s PRO 535 Ca -0.04 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 2qgt s PRO 535 Cb -0.02 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2qgt s PRO 535 CO -0.00 0.12 0.10 -0.51 0.04 0.00 0.00 177.00 176.75 2qgt s LEU 536 N 0.47 3.99 0.77 -3.56 1.43 -1.26 -5.00 118.68 115.53 2qgt s LEU 536 Ca 0.44 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 2qgt s LEU 536 Cb -0.20 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.75 2qgt s LEU 536 CO 0.25 0.29 0.82 -1.54 0.23 0.00 0.00 176.35 176.40 2qgt n SER 537 N 1.27 -0.21 -0.24 2.29 3.41 -1.26 -4.67 113.62 114.20 2qgt n SER 537 Ca -0.14 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.10 2qgt n SER 537 Cb 0.53 -1.35 0.29 0.00 -0.26 0.00 0.00 64.21 63.42 2qgt n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qgt h ASP 538 N -0.63 0.80 0.05 4.04 3.32 -1.99 -0.34 116.42 121.67 2qgt h ASP 538 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 2qgt h ASP 538 Cb 1.32 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2qgt h ASP 538 CO 0.44 0.52 -0.02 0.25 -1.72 0.00 0.00 179.24 178.70 2qgt h LEU 539 N 0.91 -0.06 -0.88 1.55 5.85 -1.99 -1.25 115.31 119.44 2qgt h LEU 539 Ca 0.35 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2qgt h LEU 539 Cb 0.20 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2qgt h LEU 539 CO -0.12 -0.03 0.54 -0.07 -0.34 0.00 0.00 178.44 178.42 2qgt h LEU 540 N -0.08 1.05 -0.93 2.25 4.07 -1.73 0.70 115.31 120.64 2qgt h LEU 540 Ca -0.01 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 57.95 2qgt h LEU 540 Cb 0.06 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.47 2qgt h LEU 540 CO 0.01 0.80 0.59 -0.07 -1.08 0.00 0.00 178.44 178.69 2qgt h LEU 541 N 1.21 0.95 -0.07 1.67 4.07 -0.82 -0.08 115.31 122.23 2qgt h LEU 541 Ca 0.32 0.01 -0.20 0.00 0.08 0.00 0.00 57.88 58.09 2qgt h LEU 541 Cb -0.06 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 41.50 2qgt h LEU 541 CO -0.06 0.61 -0.72 -0.33 -1.08 0.00 0.00 178.44 176.86 2qgt h GLU 542 N 1.09 0.62 -0.90 1.13 5.08 -0.48 -0.31 114.58 120.81 2qgt h GLU 542 Ca 0.40 -0.57 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2qgt h GLU 542 Cb 0.15 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2qgt h GLU 542 CO -0.17 1.18 0.59 0.52 -1.00 0.00 0.00 179.01 180.14 2qgt h MET 543 N 0.26 1.15 -0.11 2.33 2.86 -0.72 -2.02 114.93 118.68 2qgt h MET 543 Ca -0.07 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2qgt h MET 543 Cb 1.38 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 2qgt h MET 543 CO 0.15 0.76 -0.04 1.25 1.06 0.00 0.00 176.91 180.09 2qgt h LEU 544 N 1.19 0.23 -2.40 1.22 5.85 -0.98 -3.09 115.31 117.32 2qgt h LEU 544 Ca 0.34 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2qgt h LEU 544 Cb -0.10 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2qgt h LEU 544 CO -0.09 0.56 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.79 2qgt h ASP 545 N -0.11 0.00 -0.31 1.25 -0.00 -0.90 -1.64 116.42 114.72 2qgt h ASP 545 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.03 57.14 2qgt h ASP 545 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.78 2qgt h ASP 545 CO 0.01 0.00 0.22 0.00 -0.00 0.00 0.00 179.24 179.48 2qgt h ALA 546 N 2.00 2.21 -0.36 -0.78 0.00 -1.28 -2.06 119.26 118.99 2qgt h ALA 546 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qgt h ALA 546 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qgt h ALA 546 CO 0.00 -0.30 0.00 0.72 0.00 0.00 0.00 179.25 179.67 2qgt n HIS 547 N -4.46 0.65 -1.48 0.00 8.25 -0.62 -5.04 115.22 112.53 2qgt n HIS 547 Ca 0.04 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 2qgt n HIS 547 Cb 0.35 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2qgt n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52