#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa6 h ALA 307 N 0.00 1.34 0.00 1.96 0.00 -1.97 -3.09 119.26 117.50 2qa6 h ALA 307 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qa6 h ALA 307 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qa6 h ALA 307 CO 0.00 -0.16 -0.51 -0.07 0.00 0.00 0.00 179.25 178.51 2qa6 h LEU 308 N 0.00 0.00 -0.39 0.00 3.38 -1.97 -3.29 115.31 113.05 2qa6 h LEU 308 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qa6 h LEU 308 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qa6 h LEU 308 CO -0.00 0.00 -0.61 -1.54 0.09 0.00 0.00 178.44 176.38 2qa6 n SER 309 N -2.84 1.22 -4.77 -0.43 3.41 -1.17 -4.97 113.62 104.08 2qa6 n SER 309 Ca 0.02 -0.99 -0.39 0.00 -0.26 0.00 0.00 58.87 57.25 2qa6 n SER 309 Cb 0.53 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2qa6 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qa6 s LEU 310 N -2.75 4.14 0.00 1.04 1.43 -1.24 -5.04 118.68 116.26 2qa6 s LEU 310 Ca 0.15 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.80 2qa6 s LEU 310 Cb 0.18 -3.98 0.15 0.00 0.03 0.00 0.00 46.19 42.56 2qa6 s LEU 310 CO 0.68 -0.98 0.77 0.35 0.23 0.00 0.00 176.35 177.41 2qa6 n THR 311 N -0.11 0.00 -0.05 5.49 -2.24 -1.26 -4.82 114.28 111.30 2qa6 n THR 311 Ca 0.05 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 61.17 2qa6 n THR 311 Cb 0.44 -1.53 -0.07 0.00 -2.10 0.00 0.00 70.33 67.07 2qa6 n THR 311 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qa6 h ALA 312 N -2.05 0.28 0.00 6.98 0.00 -1.96 -0.72 119.26 121.79 2qa6 h ALA 312 Ca -0.26 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 2qa6 h ALA 312 Cb 0.74 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2qa6 h ALA 312 CO 0.18 0.38 -0.52 -0.44 0.00 0.00 0.00 179.25 178.85 2qa6 h ASP 313 N 0.23 0.00 -0.00 0.00 3.32 -1.97 0.09 116.42 118.09 2qa6 h ASP 313 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qa6 h ASP 313 Cb 1.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 2qa6 h ASP 313 CO 0.09 0.52 0.00 1.56 -1.72 0.00 0.00 179.24 179.69 2qa6 h GLN 314 N 0.00 0.00 -0.65 3.56 4.20 -1.93 -2.23 115.11 118.06 2qa6 h GLN 314 Ca -0.01 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.77 2qa6 h GLN 314 Cb 0.94 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 2qa6 h GLN 314 CO 0.07 0.24 0.34 1.98 -0.67 0.00 0.00 178.83 180.79 2qa6 h MET 315 N -0.24 0.60 -0.28 1.46 4.05 -0.73 -1.24 114.93 118.55 2qa6 h MET 315 Ca 0.00 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 2qa6 h MET 315 Cb 0.24 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2qa6 h MET 315 CO 0.00 0.40 -0.29 0.28 0.23 0.00 0.00 176.91 177.53 2qa6 h VAL 316 N 0.62 1.30 -0.31 -5.77 2.07 -1.02 -2.26 116.25 110.88 2qa6 h VAL 316 Ca 0.30 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2qa6 h VAL 316 Cb 0.22 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2qa6 h VAL 316 CO -0.20 0.47 0.19 0.28 0.02 0.00 0.00 177.57 178.32 2qa6 h SER 317 N 0.44 0.38 -0.50 0.57 0.02 -1.27 0.20 113.55 113.39 2qa6 h SER 317 Ca 0.04 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2qa6 h SER 317 Cb 0.87 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.21 2qa6 h SER 317 CO 0.07 0.32 -0.22 0.00 -1.14 0.00 0.00 176.83 175.87 2qa6 h ALA 318 N 1.07 0.15 -0.22 3.77 0.00 -1.16 0.14 119.26 123.01 2qa6 h ALA 318 Ca 0.11 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2qa6 h ALA 318 Cb 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qa6 h ALA 318 CO -0.02 -0.55 -0.41 -0.07 0.00 0.00 0.00 179.25 178.19 2qa6 h LEU 319 N -0.11 0.54 -0.67 0.00 3.38 -1.21 -2.80 115.31 114.45 2qa6 h LEU 319 Ca 0.23 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2qa6 h LEU 319 Cb 0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qa6 h LEU 319 CO -0.57 0.89 -0.19 -0.07 0.09 0.00 0.00 178.44 178.60 2qa6 h LEU 320 N 0.42 0.84 -0.28 1.67 3.38 0.48 -2.99 115.31 118.83 2qa6 h LEU 320 Ca 0.03 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2qa6 h LEU 320 Cb 0.90 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2qa6 h LEU 320 CO 0.08 1.02 -0.22 0.44 0.09 0.00 0.00 178.44 179.84 2qa6 h ASP 321 N 0.74 0.00 1.21 -0.43 5.19 -0.77 -3.16 116.42 119.20 2qa6 h ASP 321 Ca 0.11 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.42 2qa6 h ASP 321 Cb 0.71 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2qa6 h ASP 321 CO 0.05 0.22 -0.44 0.00 -3.12 0.00 0.00 179.24 175.95 2qa6 h ALA 322 N 1.78 0.80 -0.73 3.45 0.00 -1.46 -3.47 119.26 119.63 2qa6 h ALA 322 Ca -0.00 -0.40 -0.56 0.00 0.00 0.00 0.00 54.91 53.95 2qa6 h ALA 322 Cb 1.07 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.83 2qa6 h ALA 322 CO 0.03 0.56 -0.06 0.39 0.00 0.00 0.00 179.25 180.16 2qa6 n GLU 323 N -3.34 0.00 -1.38 0.00 -0.58 -1.14 -4.70 120.64 109.49 2qa6 n GLU 323 Ca 0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 2qa6 n GLU 323 Cb 0.63 -1.01 0.14 0.00 -0.57 0.00 0.00 31.44 30.64 2qa6 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qa6 s PRO 324 N -0.18 1.16 0.70 3.49 0.04 -1.26 -5.06 135.00 133.89 2qa6 s PRO 324 Ca 0.62 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 2qa6 s PRO 324 Cb -0.87 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2qa6 s PRO 324 CO 0.41 -2.23 1.07 -1.25 0.04 0.00 0.00 177.00 175.04 2qa6 s PRO 325 N -5.11 2.89 -0.18 0.56 0.05 -1.26 -5.04 135.00 126.92 2qa6 s PRO 325 Ca 0.63 0.70 -0.21 0.00 0.05 0.00 0.00 61.00 62.18 2qa6 s PRO 325 Cb -0.16 -2.00 -0.03 0.00 0.05 0.00 0.00 34.50 32.35 2qa6 s PRO 325 CO 0.55 -1.07 0.61 0.42 0.05 0.00 0.00 177.00 177.57 2qa6 s ILE 326 N -3.19 5.05 0.23 0.56 1.01 -1.26 -5.07 121.20 118.53 2qa6 s ILE 326 Ca 0.58 1.16 -0.00 0.00 0.00 0.00 0.00 60.65 62.39 2qa6 s ILE 326 Cb -0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2qa6 s ILE 326 CO 0.54 0.15 0.42 -0.76 0.00 0.00 0.00 174.94 175.29 2qa6 s LEU 327 N 1.66 4.19 -0.02 2.97 1.43 -1.26 -5.03 118.68 122.63 2qa6 s LEU 327 Ca 0.29 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.74 2qa6 s LEU 327 Cb -0.16 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 2qa6 s LEU 327 CO 0.11 -0.09 0.21 -0.31 0.23 0.00 0.00 176.35 176.50 2qa6 s TYR 328 N -1.96 3.57 0.59 0.29 1.51 -1.26 -4.29 117.35 115.79 2qa6 s TYR 328 Ca 0.39 0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 56.76 2qa6 s TYR 328 Cb -0.11 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2qa6 s TYR 328 CO 0.30 0.64 1.05 0.45 -1.11 0.00 0.00 175.55 176.88 2qa6 s SER 329 N -1.73 5.88 0.00 2.29 0.15 -1.26 -4.93 113.70 114.09 2qa6 s SER 329 Ca 0.26 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2qa6 s SER 329 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2qa6 s SER 329 CO 0.16 -1.10 0.22 -0.62 1.20 0.00 0.00 173.24 173.09 2qa6 n GLU 330 N -2.04 0.32 -1.57 5.44 -0.58 -1.26 -4.96 120.64 116.00 2qa6 n GLU 330 Ca 0.08 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.36 2qa6 n GLU 330 Cb 0.53 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 2qa6 n GLU 330 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2qa6 n TYR 331 N 0.05 1.13 -3.62 -0.32 -0.00 -1.26 -4.94 117.16 108.20 2qa6 n TYR 331 Ca 0.00 0.72 -0.27 0.00 -0.00 0.00 0.00 57.90 58.34 2qa6 n TYR 331 Cb 0.05 -2.24 -0.10 0.00 -0.00 0.00 0.00 39.34 37.06 2qa6 n TYR 331 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2qa6 n ASP 332 N 1.64 2.78 0.00 2.98 -0.08 -1.26 -4.96 116.55 117.65 2qa6 n ASP 332 Ca 0.13 -3.19 0.01 0.00 -1.51 0.00 0.00 54.79 50.23 2qa6 n ASP 332 Cb 0.28 -0.70 0.06 0.00 2.34 0.00 0.00 41.12 43.10 2qa6 n ASP 332 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qa6 n PRO 333 N 1.57 0.04 0.19 -0.67 -0.04 -1.26 0.95 135.00 135.78 2qa6 n PRO 333 Ca 0.25 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 2qa6 n PRO 333 Cb 0.40 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.76 2qa6 n PRO 333 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2qa6 h THR 334 N 0.00 0.00 -3.19 0.52 1.35 -2.02 -3.44 112.91 106.14 2qa6 h THR 334 Ca 0.00 -0.62 -0.58 0.00 -0.55 0.00 0.00 66.41 64.66 2qa6 h THR 334 Cb 0.02 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 2qa6 h THR 334 CO 0.00 0.00 -0.08 -0.13 -0.25 0.00 0.00 175.52 175.06 2qa6 s ARG 335 N -3.30 4.14 0.00 4.72 3.00 0.27 -5.11 118.95 122.67 2qa6 s ARG 335 Ca 0.06 0.65 0.00 0.00 0.00 0.00 0.00 55.73 56.44 2qa6 s ARG 335 Cb 0.09 -3.25 0.00 0.00 0.00 0.00 0.00 34.95 31.79 2qa6 s ARG 335 CO 0.57 0.62 0.00 -2.30 0.00 0.00 0.00 175.30 174.20 2qa6 n PRO 336 N 1.86 -1.28 -5.06 3.54 -0.02 -1.26 -4.93 135.00 127.85 2qa6 n PRO 336 Ca -0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.08 2qa6 n PRO 336 Cb 0.51 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.84 2qa6 n PRO 336 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qa6 s PHE 337 N -0.84 2.08 0.15 6.00 2.99 -1.26 -4.93 117.98 122.16 2qa6 s PHE 337 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 56.93 56.51 2qa6 s PHE 337 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 43.02 41.67 2qa6 s PHE 337 CO 0.00 0.00 0.11 -1.54 -0.00 0.00 0.00 175.22 173.79 2qa6 s SER 338 N -0.72 0.23 0.28 1.36 1.04 -1.26 -4.97 113.70 109.67 2qa6 s SER 338 Ca 0.09 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 2qa6 s SER 338 Cb -0.09 0.34 0.63 0.00 0.10 0.00 0.00 66.02 67.00 2qa6 s SER 338 CO -0.00 -0.78 1.62 -0.08 0.98 0.00 0.00 173.24 174.97 2qa6 h GLU 339 N 2.77 0.10 0.08 4.02 4.81 -1.97 0.19 114.58 124.58 2qa6 h GLU 339 Ca -0.34 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2qa6 h GLU 339 Cb 1.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2qa6 h GLU 339 CO 0.56 0.07 -0.04 0.00 -0.73 0.00 0.00 179.01 178.87 2qa6 h ALA 340 N 1.83 -0.10 -0.17 2.92 0.00 -1.90 0.84 119.26 122.68 2qa6 h ALA 340 Ca 0.52 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2qa6 h ALA 340 Cb 1.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qa6 h ALA 340 CO -0.75 -0.37 -0.06 0.66 0.00 0.00 0.00 179.25 178.73 2qa6 h SER 341 N -0.48 0.34 -0.77 0.00 4.64 -1.86 0.20 113.55 115.62 2qa6 h SER 341 Ca -0.01 -0.38 0.14 0.00 -0.47 0.00 0.00 61.79 61.07 2qa6 h SER 341 Cb 0.41 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 62.26 2qa6 h SER 341 CO 0.02 0.65 -0.27 -0.03 -0.87 0.00 0.00 176.83 176.33 2qa6 h MET 342 N 0.03 -0.05 0.00 4.77 -1.53 -0.65 -0.30 114.93 117.20 2qa6 h MET 342 Ca 0.04 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.15 2qa6 h MET 342 Cb 0.51 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 2qa6 h MET 342 CO 0.02 -0.03 -0.72 0.52 0.14 0.00 0.00 176.91 176.84 2qa6 h MET 343 N -0.05 0.00 -0.42 0.39 2.07 -0.48 -2.60 114.93 113.85 2qa6 h MET 343 Ca 0.34 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.91 2qa6 h MET 343 Cb 0.58 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 2qa6 h MET 343 CO -0.81 0.72 0.04 0.78 1.07 0.00 0.00 176.91 178.71 2qa6 h GLY 344 N 3.02 0.76 0.99 8.32 0.00 -0.03 -1.78 103.07 114.35 2qa6 h GLY 344 Ca -0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 2qa6 h GLY 344 CO 0.09 0.49 0.27 1.41 0.00 0.00 0.00 176.54 178.80 2qa6 h LEU 345 N 0.55 0.81 -0.49 3.11 3.38 -0.88 -1.41 115.31 120.37 2qa6 h LEU 345 Ca 0.12 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2qa6 h LEU 345 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2qa6 h LEU 345 CO 0.01 0.73 -0.68 -0.07 0.09 0.00 0.00 178.44 178.52 2qa6 h LEU 346 N 0.83 0.39 0.00 1.67 3.38 -1.37 -2.71 115.31 117.49 2qa6 h LEU 346 Ca 0.20 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2qa6 h LEU 346 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qa6 h LEU 346 CO -0.02 0.96 -0.61 0.71 0.09 0.00 0.00 178.44 179.57 2qa6 h THR 347 N 0.24 0.79 0.25 0.22 1.35 -1.27 -0.23 112.91 114.25 2qa6 h THR 347 Ca -0.02 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.68 2qa6 h THR 347 Cb 1.23 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 2qa6 h THR 347 CO 0.11 0.45 -0.12 -1.13 -0.25 0.00 0.00 175.52 174.58 2qa6 h ASN 348 N 0.00 -0.28 -0.38 5.36 -0.73 -1.31 -2.48 115.58 115.75 2qa6 h ASN 348 Ca -0.02 -0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.10 2qa6 h ASN 348 Cb 1.39 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 40.00 2qa6 h ASN 348 CO 0.06 -0.05 0.05 0.25 -0.37 0.00 0.00 177.43 177.37 2qa6 h LEU 349 N -0.50 -0.04 -0.76 0.34 5.85 -1.44 -1.55 115.31 117.21 2qa6 h LEU 349 Ca -0.03 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2qa6 h LEU 349 Cb 0.38 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2qa6 h LEU 349 CO 0.06 0.02 0.50 0.00 -0.34 0.00 0.00 178.44 178.67 2qa6 h ALA 350 N 1.30 0.97 -0.77 1.25 0.00 -1.07 0.43 119.26 121.37 2qa6 h ALA 350 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qa6 h ALA 350 Cb 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2qa6 h ALA 350 CO -0.26 0.35 0.37 0.22 0.00 0.00 0.00 179.25 179.92 2qa6 h ASP 351 N 1.00 1.01 -0.14 0.00 3.58 -0.90 0.39 116.42 121.35 2qa6 h ASP 351 Ca 0.28 -0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.42 2qa6 h ASP 351 Cb -0.08 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 40.71 2qa6 h ASP 351 CO -0.07 0.86 -0.61 0.03 -2.88 0.00 0.00 179.24 176.57 2qa6 h ARG 352 N 1.09 0.67 -0.32 0.28 3.08 -0.95 -2.93 114.38 115.30 2qa6 h ARG 352 Ca 0.26 -0.53 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2qa6 h ARG 352 Cb 0.12 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2qa6 h ARG 352 CO -0.03 1.15 0.22 0.93 -1.07 0.00 0.00 179.97 181.16 2qa6 h GLU 353 N 0.35 0.40 -0.52 0.04 5.08 -0.40 -2.56 114.58 116.97 2qa6 h GLU 353 Ca -0.04 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2qa6 h GLU 353 Cb 1.25 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2qa6 h GLU 353 CO 0.13 0.27 0.33 -0.07 -1.00 0.00 0.00 179.01 178.66 2qa6 h LEU 354 N 0.41 0.55 -1.49 1.33 3.38 -0.05 -2.13 115.31 117.31 2qa6 h LEU 354 Ca 0.12 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2qa6 h LEU 354 Cb -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2qa6 h LEU 354 CO -0.03 0.40 0.35 0.58 0.09 0.00 0.00 178.44 179.83 2qa6 h VAL 355 N 0.67 1.12 -0.02 1.22 2.07 -1.40 -1.38 116.25 118.53 2qa6 h VAL 355 Ca 0.20 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.29 2qa6 h VAL 355 Cb -0.03 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2qa6 h VAL 355 CO -0.07 0.13 -0.74 0.45 0.02 0.00 0.00 177.57 177.36 2qa6 h HIS 356 N 0.70 0.78 -0.58 1.57 3.86 -1.50 -2.99 115.15 116.97 2qa6 h HIS 356 Ca 0.20 -0.41 0.11 0.00 -1.16 0.00 0.00 60.37 59.11 2qa6 h HIS 356 Cb -0.05 -0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.24 2qa6 h HIS 356 CO -0.00 1.23 0.08 1.98 0.86 0.00 0.00 177.93 182.08 2qa6 h MET 357 N 0.10 0.20 -0.37 2.45 -1.53 -0.83 0.70 114.93 115.66 2qa6 h MET 357 Ca -0.09 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.21 2qa6 h MET 357 Cb 1.42 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.38 2qa6 h MET 357 CO 0.15 0.13 0.11 0.82 0.14 0.00 0.00 176.91 178.26 2qa6 h ILE 358 N 0.21 0.87 -0.52 1.77 2.04 -1.14 0.35 117.51 121.09 2qa6 h ILE 358 Ca 0.30 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.99 2qa6 h ILE 358 Cb 0.46 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2qa6 h ILE 358 CO -0.42 0.05 -0.00 0.78 0.00 0.00 0.00 178.15 178.55 2qa6 h ASN 359 N 0.26 0.85 -0.03 1.72 2.35 -1.19 -2.51 115.58 117.03 2qa6 h ASN 359 Ca 0.17 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2qa6 h ASN 359 Cb 0.16 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2qa6 h ASN 359 CO -0.19 0.92 0.02 -0.25 -1.65 0.00 0.00 177.43 176.28 2qa6 h TRP 360 N 0.82 0.04 -0.70 1.19 7.01 0.19 -2.75 115.95 121.74 2qa6 h TRP 360 Ca 0.15 0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.31 2qa6 h TRP 360 Cb 0.49 -0.01 -0.13 0.00 -2.10 0.00 0.00 29.16 27.41 2qa6 h TRP 360 CO 0.03 0.06 -0.07 0.00 -2.79 0.00 0.00 178.44 175.67 2qa6 h ALA 361 N 0.98 0.62 0.00 2.65 0.00 -0.27 -1.21 119.26 122.04 2qa6 h ALA 361 Ca 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qa6 h ALA 361 Cb 0.03 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qa6 h ALA 361 CO -0.00 -0.42 -0.01 0.87 0.00 0.00 0.00 179.25 179.69 2qa6 h LYS 362 N 0.06 0.00 -0.64 0.00 1.57 -1.14 0.20 116.57 116.62 2qa6 h LYS 362 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2qa6 h LYS 362 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2qa6 h LYS 362 CO -0.66 0.01 0.00 0.54 -0.57 0.00 0.00 179.45 178.76 2qa6 n ARG 363 N -3.17 3.67 -3.16 3.15 1.74 -0.46 -4.38 116.66 114.05 2qa6 n ARG 363 Ca -0.02 -2.50 -0.40 0.00 -0.77 0.00 0.00 57.85 54.15 2qa6 n ARG 363 Cb 0.11 -1.93 -0.07 0.00 -1.02 0.00 0.00 32.46 29.56 2qa6 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qa6 s VAL 364 N -2.05 5.02 0.23 1.55 1.01 0.69 -4.81 120.40 122.05 2qa6 s VAL 364 Ca 0.44 1.05 -0.32 0.00 0.00 0.00 0.00 61.98 63.16 2qa6 s VAL 364 Cb 0.30 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 2qa6 s VAL 364 CO 0.18 0.07 1.51 -2.65 0.00 0.00 0.00 175.10 174.21 2qa6 n PRO 365 N 5.50 2.28 0.00 2.72 -0.02 -1.26 0.00 135.00 144.22 2qa6 n PRO 365 Ca -0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2qa6 n PRO 365 Cb 0.49 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2qa6 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa6 n GLY 366 N 2.57 2.95 0.31 -1.23 0.00 -1.26 -4.90 105.19 103.63 2qa6 n GLY 366 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2qa6 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qa6 h PHE 367 N 0.00 -0.74 0.00 1.61 3.57 -0.72 -1.80 116.94 118.86 2qa6 h PHE 367 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qa6 h PHE 367 Cb 0.00 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2qa6 h PHE 367 CO 0.00 -0.39 0.04 -0.39 -2.23 0.00 0.00 178.31 175.34 2qa6 h VAL 368 N -0.55 0.00 -0.82 1.41 -1.51 -1.76 -1.65 116.25 111.36 2qa6 h VAL 368 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 2qa6 h VAL 368 Cb 0.53 0.66 -0.05 0.00 -2.13 0.00 0.00 31.29 30.31 2qa6 h VAL 368 CO -0.09 0.00 0.53 0.44 -1.23 0.00 0.00 177.57 177.21 2qa6 h ASP 369 N 0.00 0.88 -4.16 4.19 3.32 -1.69 -3.44 116.42 115.52 2qa6 h ASP 369 Ca 0.00 -0.01 -0.54 0.00 0.02 0.00 0.00 57.03 56.50 2qa6 h ASP 369 Cb 0.08 -0.20 0.16 0.00 0.22 0.00 0.00 39.33 39.59 2qa6 h ASP 369 CO 0.00 0.62 0.42 -0.76 -1.72 0.00 0.00 179.24 177.80 2qa6 s LEU 370 N -10.16 3.36 0.65 1.55 1.43 -0.62 -5.01 118.68 109.88 2qa6 s LEU 370 Ca -0.13 2.43 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 2qa6 s LEU 370 Cb 0.16 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 2qa6 s LEU 370 CO 0.79 -2.25 1.15 0.42 0.23 0.00 0.00 176.35 176.68 2qa6 s THR 371 N -1.84 2.94 0.43 5.49 -4.23 -1.26 -4.82 115.64 112.34 2qa6 s THR 371 Ca 0.76 0.48 0.11 0.00 -1.18 0.00 0.00 61.69 61.87 2qa6 s THR 371 Cb -0.31 -3.05 0.30 0.00 1.34 0.00 0.00 72.50 70.78 2qa6 s THR 371 CO 0.44 -0.22 2.01 -0.07 -0.54 0.00 0.00 174.62 176.24 2qa6 h LEU 372 N 0.28 0.41 -0.46 4.79 3.38 -1.94 -0.69 115.31 121.07 2qa6 h LEU 372 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2qa6 h LEU 372 Cb 1.27 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2qa6 h LEU 372 CO 0.54 0.26 0.17 -0.74 0.09 0.00 0.00 178.44 178.76 2qa6 h HIS 373 N 0.46 0.71 -0.36 1.13 2.76 -1.99 0.25 115.15 118.11 2qa6 h HIS 373 Ca 0.23 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2qa6 h HIS 373 Cb 0.32 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2qa6 h HIS 373 CO -0.00 0.61 -0.10 -0.44 -1.30 0.00 0.00 177.93 176.71 2qa6 h ASP 374 N 0.60 0.60 -0.01 3.26 3.32 -1.53 -0.84 116.42 121.81 2qa6 h ASP 374 Ca 0.15 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2qa6 h ASP 374 Cb 0.22 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2qa6 h ASP 374 CO -0.01 0.73 -0.05 1.56 -1.72 0.00 0.00 179.24 179.76 2qa6 h GLN 375 N 0.57 0.06 -0.02 3.56 4.20 -0.94 -1.03 115.11 121.51 2qa6 h GLN 375 Ca 0.10 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2qa6 h GLN 375 Cb 0.51 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 2qa6 h GLN 375 CO 0.03 0.67 -0.29 0.28 -0.67 0.00 0.00 178.83 178.85 2qa6 h VAL 376 N -0.55 0.35 -0.74 -0.54 2.07 -0.49 -2.24 116.25 114.11 2qa6 h VAL 376 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2qa6 h VAL 376 Cb 0.68 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 30.69 2qa6 h VAL 376 CO 0.01 0.00 0.19 -0.74 0.02 0.00 0.00 177.57 177.05 2qa6 h HIS 377 N -0.43 0.31 -0.58 1.57 -0.00 -1.03 0.93 115.15 115.93 2qa6 h HIS 377 Ca 0.07 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 2qa6 h HIS 377 Cb 0.53 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 2qa6 h HIS 377 CO -0.33 -0.07 0.18 -0.07 -0.00 0.00 0.00 177.93 177.64 2qa6 h LEU 378 N 0.29 0.85 -0.19 0.26 3.38 -0.83 -1.50 115.31 117.57 2qa6 h LEU 378 Ca 0.42 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2qa6 h LEU 378 Cb 0.70 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2qa6 h LEU 378 CO -0.50 0.83 -0.13 -0.07 0.09 0.00 0.00 178.44 178.66 2qa6 h LEU 379 N 0.82 0.44 -0.85 1.67 3.38 -1.05 -0.48 115.31 119.23 2qa6 h LEU 379 Ca 0.19 -0.44 0.19 0.00 0.09 0.00 0.00 57.88 57.90 2qa6 h LEU 379 Cb 0.29 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 2qa6 h LEU 379 CO -0.01 0.79 0.35 -0.33 0.09 0.00 0.00 178.44 179.33 2qa6 h GLU 380 N 0.09 0.40 -0.13 1.13 5.08 -0.77 -1.57 114.58 118.81 2qa6 h GLU 380 Ca 0.04 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2qa6 h GLU 380 Cb 0.64 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.81 2qa6 h GLU 380 CO 0.04 0.27 -0.54 0.00 -1.00 0.00 0.00 179.01 177.77 2qa6 n ALA 382 N -2.55 3.76 -0.32 0.00 0.00 -0.22 -4.66 120.51 116.51 2qa6 n ALA 382 Ca -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 2qa6 n ALA 382 Cb 0.62 -0.72 0.15 0.00 0.00 0.00 0.00 19.45 19.50 2qa6 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qa6 h TRP 383 N 1.61 1.16 0.00 0.00 5.08 -1.51 -1.56 115.95 120.73 2qa6 h TRP 383 Ca 0.00 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 59.80 2qa6 h TRP 383 Cb 0.63 -0.39 -0.03 0.00 -3.00 0.00 0.00 29.16 26.37 2qa6 h TRP 383 CO 0.00 0.75 -0.86 1.25 -1.28 0.00 0.00 178.44 178.29 2qa6 h LEU 384 N 1.24 0.00 -0.27 0.11 5.85 -1.87 -1.48 115.31 118.89 2qa6 h LEU 384 Ca 0.33 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 2qa6 h LEU 384 Cb -0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2qa6 h LEU 384 CO -0.07 0.86 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.54 2qa6 h GLU 385 N 0.00 0.50 -0.97 1.25 5.08 -1.75 0.16 114.58 118.85 2qa6 h GLU 385 Ca -0.01 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2qa6 h GLU 385 Cb 1.62 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.77 2qa6 h GLU 385 CO 0.11 0.68 0.63 0.82 -1.00 0.00 0.00 179.01 180.25 2qa6 h ILE 386 N 0.27 1.14 -0.20 3.13 2.04 -1.26 0.62 117.51 123.26 2qa6 h ILE 386 Ca 0.07 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 2qa6 h ILE 386 Cb 0.47 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2qa6 h ILE 386 CO 0.02 0.22 -0.24 -0.07 0.00 0.00 0.00 178.15 178.07 2qa6 h LEU 387 N 1.20 0.56 -1.35 1.44 3.38 -0.99 -2.65 115.31 116.91 2qa6 h LEU 387 Ca 0.39 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qa6 h LEU 387 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2qa6 h LEU 387 CO -0.13 0.95 0.37 0.24 0.09 0.00 0.00 178.44 179.95 2qa6 h MET 388 N 0.19 0.81 0.04 1.13 2.86 0.06 -0.91 114.93 119.11 2qa6 h MET 388 Ca 0.03 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 2qa6 h MET 388 Cb 0.81 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2qa6 h MET 388 CO 0.06 0.56 -1.02 0.97 1.06 0.00 0.00 176.91 178.55 2qa6 h ILE 389 N 0.82 1.57 -0.00 -1.22 2.10 0.20 -1.59 117.51 119.39 2qa6 h ILE 389 Ca 0.22 -2.99 0.02 0.00 1.08 0.00 0.00 64.86 63.18 2qa6 h ILE 389 Cb -0.04 2.72 -0.02 0.00 -1.09 0.00 0.00 36.82 38.39 2qa6 h ILE 389 CO -0.04 0.87 -0.10 1.23 -1.08 0.00 0.00 178.15 179.02 2qa6 h GLY 390 N 2.14 -0.12 0.67 8.18 0.00 -1.18 -1.63 103.07 111.13 2qa6 h GLY 390 Ca -0.06 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.44 2qa6 h GLY 390 CO 0.15 -0.11 0.17 -2.00 0.00 0.00 0.00 176.54 174.75 2qa6 h LEU 391 N -0.18 0.20 -0.69 3.11 5.85 -1.05 -0.44 115.31 122.11 2qa6 h LEU 391 Ca 0.04 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2qa6 h LEU 391 Cb 0.23 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qa6 h LEU 391 CO -0.11 0.15 -0.25 0.58 -0.34 0.00 0.00 178.44 178.47 2qa6 h VAL 392 N 0.35 1.27 0.31 1.05 2.07 -1.25 -0.16 116.25 119.89 2qa6 h VAL 392 Ca 0.19 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2qa6 h VAL 392 Cb 0.15 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2qa6 h VAL 392 CO -0.18 0.45 -0.22 -0.25 0.02 0.00 0.00 177.57 177.40 2qa6 h TRP 393 N 0.65 -0.57 0.00 1.57 2.91 -0.70 -2.25 115.95 117.55 2qa6 h TRP 393 Ca 0.08 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 2qa6 h TRP 393 Cb 0.76 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 2qa6 h TRP 393 CO 0.04 -0.33 -0.14 0.00 -1.03 0.00 0.00 178.44 176.98 2qa6 h ARG 394 N -0.52 0.00 0.00 2.65 3.08 -0.74 -1.85 114.38 117.00 2qa6 h ARG 394 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qa6 h ARG 394 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2qa6 h ARG 394 CO 0.01 0.14 -0.07 0.43 -1.07 0.00 0.00 179.97 179.41 2qa6 n SER 395 N -4.15 0.19 -0.35 7.04 7.64 -0.10 -4.31 113.62 119.57 2qa6 n SER 395 Ca -0.02 0.42 0.03 0.00 1.01 0.00 0.00 58.87 60.31 2qa6 n SER 395 Cb 0.21 -0.45 0.09 0.00 -1.01 0.00 0.00 64.21 63.06 2qa6 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qa6 h MET 396 N 0.00 -0.01 -0.53 1.43 2.86 -0.73 0.26 114.93 118.21 2qa6 h MET 396 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qa6 h MET 396 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2qa6 h MET 396 CO 0.00 -0.01 0.00 0.39 1.06 0.00 0.00 176.91 178.35 2qa6 n GLU 397 N -5.55 2.25 -3.77 1.72 4.71 -1.26 -4.48 120.64 114.25 2qa6 n GLU 397 Ca 0.13 -1.39 -0.29 0.00 -0.01 0.00 0.00 57.16 55.60 2qa6 n GLU 397 Cb 0.45 -1.51 -0.13 0.00 -1.01 0.00 0.00 31.44 29.24 2qa6 n GLU 397 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2qa6 s HIS 398 N -1.65 2.41 -0.04 -0.32 3.76 0.93 -5.09 115.29 115.29 2qa6 s HIS 398 Ca 0.25 -2.71 -0.30 0.00 -0.15 0.00 0.00 55.06 52.15 2qa6 s HIS 398 Cb 0.16 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2qa6 s HIS 398 CO 0.13 -0.75 1.31 -2.14 -0.85 0.00 0.00 174.74 172.44 2qa6 s PRO 399 N -0.04 4.31 0.00 8.40 0.02 -1.26 -2.65 135.00 143.77 2qa6 s PRO 399 Ca 0.19 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2qa6 s PRO 399 Cb -0.21 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 30.73 2qa6 s PRO 399 CO -0.03 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 2qa6 n GLY 400 N 3.53 0.74 3.22 0.52 0.00 -1.26 -5.04 105.19 106.90 2qa6 n GLY 400 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2qa6 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa6 s LYS 401 N -0.81 0.98 -0.25 1.61 1.02 -1.09 -4.20 119.74 117.01 2qa6 s LYS 401 Ca 0.00 -1.25 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 2qa6 s LYS 401 Cb 0.00 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 2qa6 s LYS 401 CO 0.00 0.13 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.02 2qa6 s LEU 402 N -2.58 3.20 -1.14 3.17 1.43 0.27 -4.82 118.68 118.21 2qa6 s LEU 402 Ca 0.09 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 2qa6 s LEU 402 Cb -0.03 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.57 2qa6 s LEU 402 CO 0.02 -0.10 1.47 -0.22 0.23 0.00 0.00 176.35 177.74 2qa6 s LEU 403 N 1.41 4.33 0.29 1.79 0.20 -1.26 0.10 118.68 125.53 2qa6 s LEU 403 Ca 0.03 -2.28 -0.03 0.00 0.69 0.00 0.00 54.13 52.53 2qa6 s LEU 403 Cb -0.16 -2.49 0.40 0.00 -0.43 0.00 0.00 46.19 43.50 2qa6 s LEU 403 CO -0.03 -1.11 1.96 -0.26 -0.29 0.00 0.00 176.35 176.61 2qa6 h PHE 404 N 8.23 1.10 -2.69 5.38 0.04 -1.67 -3.43 116.94 123.90 2qa6 h PHE 404 Ca 0.30 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 2qa6 h PHE 404 Cb 0.93 -0.37 -0.14 0.00 2.20 0.00 0.00 35.95 38.57 2qa6 h PHE 404 CO 1.26 0.69 0.21 0.00 -0.60 0.00 0.00 178.31 179.87 2qa6 s ALA 405 N -5.98 -1.66 0.60 2.45 0.00 -0.93 -4.94 121.76 111.31 2qa6 s ALA 405 Ca -0.12 0.74 0.30 0.00 0.00 0.00 0.00 51.96 52.88 2qa6 s ALA 405 Cb 0.18 0.62 1.69 0.00 0.00 0.00 0.00 23.12 25.61 2qa6 s ALA 405 CO 0.80 -0.65 2.10 -1.35 0.00 0.00 0.00 175.76 176.66 2qa6 h PRO 406 N 2.29 0.00 -0.58 0.00 0.11 -1.89 0.44 132.00 132.37 2qa6 h PRO 406 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qa6 h PRO 406 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2qa6 h PRO 406 CO 0.38 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.44 2qa6 n ASN 407 N -3.73 4.38 -3.35 -2.05 6.94 -1.26 -4.72 115.26 111.48 2qa6 n ASN 407 Ca 0.01 -2.41 -0.22 0.00 -0.02 0.00 0.00 54.58 51.95 2qa6 n ASN 407 Cb 0.32 -0.52 -0.09 0.00 -2.36 0.00 0.00 39.78 37.13 2qa6 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qa6 s LEU 408 N -1.77 0.46 -0.30 -4.53 2.96 0.16 -4.78 118.68 110.88 2qa6 s LEU 408 Ca 0.47 -2.13 0.01 0.00 -0.22 0.00 0.00 54.13 52.25 2qa6 s LEU 408 Cb 0.30 0.17 0.06 0.00 0.50 0.00 0.00 46.19 47.23 2qa6 s LEU 408 CO 0.23 -0.23 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.78 2qa6 s LEU 409 N 0.94 3.92 -0.07 -0.68 2.96 -1.25 -1.64 118.68 122.87 2qa6 s LEU 409 Ca 0.22 -1.48 0.02 0.00 -0.22 0.00 0.00 54.13 52.68 2qa6 s LEU 409 Cb -0.11 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2qa6 s LEU 409 CO -0.06 -0.27 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.84 2qa6 s LEU 410 N 1.15 2.95 0.00 -0.68 1.43 0.12 -4.86 118.68 118.78 2qa6 s LEU 410 Ca -0.04 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2qa6 s LEU 410 Cb -0.20 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.51 2qa6 s LEU 410 CO -0.04 0.34 0.91 -0.90 0.23 0.00 0.00 176.35 176.89 2qa6 n ASP 411 N 2.37 1.80 0.09 2.29 5.68 -1.26 0.94 116.55 128.45 2qa6 n ASP 411 Ca -0.18 -2.38 -0.08 0.00 -0.50 0.00 0.00 54.79 51.66 2qa6 n ASP 411 Cb 0.53 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2qa6 n ASP 411 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2qa6 h ARG 412 N 0.00 0.16 -0.05 0.11 0.11 -2.00 -2.18 114.38 110.54 2qa6 h ARG 412 Ca -0.30 -0.17 0.01 0.00 0.10 0.00 0.00 59.98 59.62 2qa6 h ARG 412 Cb 1.26 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 2qa6 h ARG 412 CO 0.38 0.92 0.05 -0.91 0.10 0.00 0.00 179.97 180.51 2qa6 h ASN 413 N 0.09 0.00 1.18 0.08 2.35 -1.95 0.32 115.58 117.65 2qa6 h ASN 413 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 2qa6 h ASN 413 Cb 1.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.83 2qa6 h ASN 413 CO 0.13 0.00 -0.46 1.56 -1.65 0.00 0.00 177.43 177.01 2qa6 h GLN 414 N 0.00 0.00 -0.34 0.81 4.20 -1.78 -3.15 115.11 114.85 2qa6 h GLN 414 Ca 0.02 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.79 2qa6 h GLN 414 Cb 0.13 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2qa6 h GLN 414 CO -0.00 0.46 -0.01 0.78 -0.67 0.00 0.00 178.83 179.39 2qa6 h GLY 415 N 2.81 0.33 -0.55 3.46 0.00 -0.23 -2.99 103.07 105.89 2qa6 h GLY 415 Ca -0.00 0.04 0.23 0.00 0.00 0.00 0.00 47.33 47.60 2qa6 h GLY 415 CO 0.06 -0.08 0.28 0.28 0.00 0.00 0.00 176.54 177.08 2qa6 n LYS 416 N -5.18 -0.03 -0.33 4.80 4.01 -1.10 -0.70 118.16 119.62 2qa6 n LYS 416 Ca 0.01 0.77 0.14 0.00 -0.51 0.00 0.00 58.31 58.72 2qa6 n LYS 416 Cb 0.18 -1.37 0.33 0.00 -0.51 0.00 0.00 35.03 33.66 2qa6 n LYS 416 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qa6 s VAL 418 N -5.85 4.97 -0.11 0.00 1.01 0.12 -3.74 120.40 116.80 2qa6 s VAL 418 Ca -0.11 -0.19 -0.35 0.00 0.00 0.00 0.00 61.98 61.32 2qa6 s VAL 418 Cb 0.26 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 2qa6 s VAL 418 CO 0.79 0.11 1.83 1.21 0.00 0.00 0.00 175.10 179.04 2qa6 n GLU 419 N 5.04 1.95 0.00 2.72 2.13 -1.26 -2.18 120.64 129.04 2qa6 n GLU 419 Ca -0.14 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2qa6 n GLU 419 Cb 0.50 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2qa6 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qa6 n GLY 420 N 4.29 0.33 0.11 8.31 0.00 -1.26 -4.95 105.19 112.01 2qa6 n GLY 420 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 2qa6 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qa6 h MET 421 N 4.64 0.13 -0.35 1.61 -1.53 -1.73 -3.37 114.93 114.34 2qa6 h MET 421 Ca 0.00 -0.23 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 2qa6 h MET 421 Cb 0.00 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.12 2qa6 h MET 421 CO 0.00 0.86 0.17 -0.24 0.14 0.00 0.00 176.91 177.83 2qa6 h VAL 422 N 0.04 1.12 -0.48 -5.77 3.04 -1.81 0.16 116.25 112.56 2qa6 h VAL 422 Ca -0.33 -0.34 0.05 0.00 -1.01 0.00 0.00 66.70 65.07 2qa6 h VAL 422 Cb 2.02 0.68 -0.05 0.00 -2.01 0.00 0.00 31.29 31.93 2qa6 h VAL 422 CO 0.09 0.14 0.21 -0.33 -1.01 0.00 0.00 177.57 176.67 2qa6 h GLU 423 N 0.48 0.40 0.03 4.17 3.07 -1.97 -1.35 114.58 119.41 2qa6 h GLU 423 Ca 0.12 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 2qa6 h GLU 423 Cb 0.05 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2qa6 h GLU 423 CO -0.02 0.26 -0.31 0.82 -1.40 0.00 0.00 179.01 178.36 2qa6 h ILE 424 N 0.41 1.61 -0.68 3.13 2.04 -0.97 -2.81 117.51 120.25 2qa6 h ILE 424 Ca 0.22 -2.19 0.13 0.00 1.00 0.00 0.00 64.86 64.01 2qa6 h ILE 424 Cb 0.18 3.04 -0.13 0.00 -0.74 0.00 0.00 36.82 39.16 2qa6 h ILE 424 CO -0.19 0.60 -0.27 0.15 0.00 0.00 0.00 178.15 178.44 2qa6 h PHE 425 N -0.60 -0.70 -0.90 1.37 3.57 -1.01 -0.39 116.94 118.28 2qa6 h PHE 425 Ca -0.05 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2qa6 h PHE 425 Cb 1.15 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 40.24 2qa6 h PHE 425 CO 0.21 -0.36 0.58 -0.44 -2.23 0.00 0.00 178.31 176.08 2qa6 h ASP 426 N -0.08 0.87 -0.30 0.41 3.32 -1.14 0.82 116.42 120.32 2qa6 h ASP 426 Ca 0.29 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2qa6 h ASP 426 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2qa6 h ASP 426 CO -0.73 0.55 0.09 0.24 -1.72 0.00 0.00 179.24 177.67 2qa6 h MET 427 N 0.98 0.46 -0.65 3.56 2.86 -1.07 -2.25 114.93 118.82 2qa6 h MET 427 Ca 0.39 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2qa6 h MET 427 Cb 0.25 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2qa6 h MET 427 CO -0.15 0.51 0.26 -0.07 1.06 0.00 0.00 176.91 178.52 2qa6 h LEU 428 N 0.32 0.87 0.07 1.22 3.38 0.72 -1.56 115.31 120.32 2qa6 h LEU 428 Ca 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qa6 h LEU 428 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qa6 h LEU 428 CO -0.00 0.78 -0.03 -0.07 0.09 0.00 0.00 178.44 179.20 2qa6 h LEU 429 N 0.94 -0.07 -0.95 1.67 3.38 -0.94 -2.35 115.31 116.98 2qa6 h LEU 429 Ca 0.22 -0.34 0.13 0.00 0.09 0.00 0.00 57.88 57.98 2qa6 h LEU 429 Cb 0.18 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 2qa6 h LEU 429 CO -0.02 0.31 -0.42 0.00 0.09 0.00 0.00 178.44 178.40 2qa6 n ALA 430 N -2.33 -0.24 -0.20 1.53 0.00 -0.85 -0.64 120.51 117.77 2qa6 n ALA 430 Ca -0.08 0.91 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 2qa6 n ALA 430 Cb 0.22 -0.35 0.03 0.00 0.00 0.00 0.00 19.45 19.34 2qa6 n ALA 430 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qa6 h THR 431 N 0.00 1.20 -0.29 0.00 2.02 -1.26 -1.24 112.91 113.34 2qa6 h THR 431 Ca 0.28 -0.52 0.06 0.00 0.77 0.00 0.00 66.41 67.00 2qa6 h THR 431 Cb 0.52 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2qa6 h THR 431 CO -0.93 0.22 -0.05 -1.28 0.37 0.00 0.00 175.52 173.84 2qa6 h SER 432 N 0.77 -0.23 -0.80 4.18 0.87 -0.73 -0.72 113.55 116.89 2qa6 h SER 432 Ca 0.20 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.97 2qa6 h SER 432 Cb 0.08 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.11 2qa6 h SER 432 CO -0.03 -0.08 0.39 0.28 -0.53 0.00 0.00 176.83 176.86 2qa6 h SER 433 N 0.02 0.46 -0.41 6.23 0.02 -0.13 -0.86 113.55 118.88 2qa6 h SER 433 Ca 0.14 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 2qa6 h SER 433 Cb 0.20 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2qa6 h SER 433 CO -0.28 0.21 0.04 -0.09 -1.14 0.00 0.00 176.83 175.57 2qa6 h ARG 434 N 0.58 0.70 -0.78 3.45 9.65 -0.51 0.38 114.38 127.85 2qa6 h ARG 434 Ca 0.43 -0.21 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 2qa6 h ARG 434 Cb 0.58 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.03 2qa6 h ARG 434 CO -0.35 0.76 0.47 0.74 2.80 0.00 0.00 179.97 184.39 2qa6 h PHE 435 N 0.55 0.87 -0.12 2.20 -1.00 -0.43 0.40 116.94 119.41 2qa6 h PHE 435 Ca 0.12 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.79 2qa6 h PHE 435 Cb 0.42 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2qa6 h PHE 435 CO 0.03 0.43 -0.54 -0.09 -1.61 0.00 0.00 178.31 176.54 2qa6 h ARG 436 N 0.86 0.34 -0.01 1.51 2.43 -0.57 -1.12 114.38 117.83 2qa6 h ARG 436 Ca 0.34 -0.21 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 2qa6 h ARG 436 Cb 0.17 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2qa6 h ARG 436 CO -0.17 0.80 -0.80 1.98 -1.51 0.00 0.00 179.97 180.26 2qa6 h MET 437 N 0.27 0.17 -0.03 0.20 4.05 -0.52 -2.73 114.93 116.34 2qa6 h MET 437 Ca 0.01 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2qa6 h MET 437 Cb 1.04 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 2qa6 h MET 437 CO 0.09 0.88 0.00 -1.33 0.23 0.00 0.00 176.91 176.78 2qa6 n MET 438 N -3.70 1.15 -4.21 0.39 2.81 0.09 -4.93 117.12 108.73 2qa6 n MET 438 Ca -0.03 -0.23 -0.32 0.00 -1.81 0.00 0.00 57.70 55.31 2qa6 n MET 438 Cb 0.76 -1.36 -0.05 0.00 -0.71 0.00 0.00 33.22 31.86 2qa6 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qa6 n ASN 439 N -0.60 -0.90 -4.67 7.83 5.15 -0.79 -4.83 115.26 116.46 2qa6 n ASN 439 Ca 0.16 -1.12 -0.44 0.00 -0.60 0.00 0.00 54.58 52.59 2qa6 n ASN 439 Cb 0.13 -2.35 -0.01 0.00 -0.53 0.00 0.00 39.78 37.02 2qa6 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qa6 n LEU 440 N -4.40 3.03 -4.74 1.20 7.94 -0.49 -4.99 117.00 114.55 2qa6 n LEU 440 Ca -0.16 1.19 -0.31 0.00 -1.11 0.00 0.00 56.01 55.62 2qa6 n LEU 440 Cb 0.61 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 2qa6 n LEU 440 CO 0.84 -0.70 -0.29 -1.10 -1.11 0.00 0.00 177.39 175.02 2qa6 s GLN 441 N -1.46 2.79 0.32 1.96 -1.52 -1.26 -4.98 119.66 115.50 2qa6 s GLN 441 Ca 0.59 -0.70 0.09 0.00 -1.95 0.00 0.00 55.36 53.39 2qa6 s GLN 441 Cb -0.62 -2.68 0.92 0.00 -0.22 0.00 0.00 33.01 30.42 2qa6 s GLN 441 CO 0.59 0.57 1.66 0.78 -0.25 0.00 0.00 175.29 178.64 2qa6 h GLY 442 N 3.56 1.77 1.39 3.09 0.00 -1.99 0.33 103.07 111.22 2qa6 h GLY 442 Ca -0.47 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 2qa6 h GLY 442 CO 0.63 -0.43 -0.38 0.83 0.00 0.00 0.00 176.54 177.19 2qa6 h GLU 443 N 0.29 0.67 -0.07 4.80 3.07 -1.99 -2.62 114.58 118.74 2qa6 h GLU 443 Ca 0.66 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 2qa6 h GLU 443 Cb 1.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.32 2qa6 h GLU 443 CO -0.62 0.94 -0.66 0.93 -1.40 0.00 0.00 179.01 178.19 2qa6 h GLU 444 N 0.56 0.31 0.21 2.33 5.08 -0.88 -3.22 114.58 118.96 2qa6 h GLU 444 Ca 0.05 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2qa6 h GLU 444 Cb 0.90 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2qa6 h GLU 444 CO 0.08 0.86 -0.10 0.35 -1.00 0.00 0.00 179.01 179.20 2qa6 h PHE 445 N 0.22 -0.27 -0.87 4.33 3.57 -0.60 -1.45 116.94 121.88 2qa6 h PHE 445 Ca -0.02 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2qa6 h PHE 445 Cb 1.20 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 2qa6 h PHE 445 CO 0.03 -0.12 0.52 -0.39 -2.23 0.00 0.00 178.31 176.11 2qa6 h VAL 446 N -0.34 0.95 -0.50 1.41 -1.51 -1.55 0.76 116.25 115.46 2qa6 h VAL 446 Ca -0.03 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 2qa6 h VAL 446 Cb 0.26 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.39 2qa6 h VAL 446 CO 0.05 0.16 0.25 0.00 -1.23 0.00 0.00 177.57 176.80 2qa6 h LEU 448 N 0.67 1.03 -0.18 0.00 3.38 -0.12 0.24 115.31 120.32 2qa6 h LEU 448 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qa6 h LEU 448 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qa6 h LEU 448 CO -0.02 0.73 -0.02 0.50 0.09 0.00 0.00 178.44 179.72 2qa6 h LYS 449 N 1.21 0.33 0.00 1.13 3.64 -0.51 -2.14 116.57 120.22 2qa6 h LYS 449 Ca 0.34 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2qa6 h LYS 449 Cb -0.11 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2qa6 h LYS 449 CO -0.08 0.56 -0.14 0.77 -2.27 0.00 0.00 179.45 178.29 2qa6 h SER 450 N 0.06 0.00 0.05 4.20 0.02 -1.05 -1.70 113.55 115.14 2qa6 h SER 450 Ca 0.05 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2qa6 h SER 450 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2qa6 h SER 450 CO 0.01 0.14 -0.50 0.40 -1.14 0.00 0.00 176.83 175.75 2qa6 h ILE 451 N 0.00 1.32 -0.59 3.27 2.04 -0.34 -2.90 117.51 120.30 2qa6 h ILE 451 Ca -0.00 -1.72 -0.10 0.00 1.00 0.00 0.00 64.86 64.04 2qa6 h ILE 451 Cb 0.37 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2qa6 h ILE 451 CO 0.02 0.53 -0.02 0.40 0.00 0.00 0.00 178.15 179.08 2qa6 h ILE 452 N 0.40 1.27 -0.41 -0.67 2.04 -0.72 -1.06 117.51 118.35 2qa6 h ILE 452 Ca 0.02 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 2qa6 h ILE 452 Cb 1.01 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2qa6 h ILE 452 CO 0.09 0.42 -0.05 0.25 0.00 0.00 0.00 178.15 178.86 2qa6 h LEU 453 N 0.96 0.76 -0.02 1.44 5.85 -1.38 -2.55 115.31 120.36 2qa6 h LEU 453 Ca 0.17 -0.34 -0.19 0.00 0.84 0.00 0.00 57.88 58.35 2qa6 h LEU 453 Cb 0.58 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2qa6 h LEU 453 CO 0.03 0.91 -0.92 -0.07 -0.34 0.00 0.00 178.44 178.06 2qa6 h LEU 454 N 0.58 0.00 0.15 2.25 3.38 -1.48 -3.38 115.31 116.81 2qa6 h LEU 454 Ca 0.11 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.73 2qa6 h LEU 454 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2qa6 h LEU 454 CO 0.03 0.92 -1.85 -1.13 0.09 0.00 0.00 178.44 176.51 2qa6 h ASN 455 N 0.00 0.49 0.02 -0.43 -1.24 -1.23 -3.34 115.58 109.84 2qa6 h ASN 455 Ca -0.01 -0.88 -0.12 0.00 0.71 0.00 0.00 56.30 56.00 2qa6 h ASN 455 Cb 1.70 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.58 2qa6 h ASN 455 CO 0.12 1.77 -0.36 0.28 -1.29 0.00 0.00 177.43 177.95 2qa6 h SER 456 N 0.09 0.49 0.82 1.15 0.02 -1.63 -0.69 113.55 113.79 2qa6 h SER 456 Ca -0.37 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2qa6 h SER 456 Cb 2.06 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2qa6 h SER 456 CO 0.13 0.81 -0.56 0.61 -1.14 0.00 0.00 176.83 176.68 2qa6 n GLY 457 N -0.16 -1.40 0.35 -3.77 0.00 -1.26 -4.61 105.19 94.34 2qa6 n GLY 457 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.77 2qa6 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qa6 h VAL 458 N 0.00 1.16 0.00 1.61 3.04 -1.24 -2.34 116.25 118.47 2qa6 h VAL 458 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2qa6 h VAL 458 Cb 0.69 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2qa6 h VAL 458 CO 0.00 0.17 0.00 1.88 -1.01 0.00 0.00 177.57 178.61 2qa6 h TYR 459 N 0.93 0.00 -1.69 3.17 0.05 -1.82 -3.28 116.97 114.33 2qa6 h TYR 459 Ca 0.27 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.31 2qa6 h TYR 459 Cb -0.05 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.41 2qa6 h TYR 459 CO -0.00 0.00 0.94 0.25 -1.05 0.00 0.00 178.16 178.30 2qa6 n THR 460 N -2.49 3.56 -2.14 -2.88 -2.24 -0.88 -5.25 114.28 101.96 2qa6 n THR 460 Ca 0.03 -3.94 0.00 0.00 -2.27 0.00 0.00 64.05 57.87 2qa6 n THR 460 Cb 0.35 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 2qa6 n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qa6 n PHE 461 N -0.65 -1.01 -0.03 4.78 3.01 -1.24 -5.10 117.46 117.23 2qa6 n PHE 461 Ca 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 59.00 2qa6 n PHE 461 Cb 0.37 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.84 2qa6 n PHE 461 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qa6 h THR 465 N -0.03 0.00 0.00 4.37 1.03 -2.05 -3.50 112.91 112.73 2qa6 h THR 465 Ca 0.00 -0.43 -0.18 0.00 -0.01 0.00 0.00 66.41 65.79 2qa6 h THR 465 Cb 0.00 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 67.05 2qa6 h THR 465 CO 0.00 0.00 -1.19 -0.11 -0.01 0.00 0.00 175.52 174.21 2qa6 n LEU 466 N -3.25 1.86 -0.19 0.00 -0.00 -1.26 -4.00 117.00 110.16 2qa6 n LEU 466 Ca -0.02 0.47 -0.00 0.00 -0.00 0.00 0.00 56.01 56.45 2qa6 n LEU 466 Cb 0.08 -0.91 0.24 0.00 -0.00 0.00 0.00 43.42 42.83 2qa6 n LEU 466 CO 0.03 0.08 1.18 0.50 -0.00 0.00 0.00 177.39 179.18 2qa6 h LYS 467 N -1.00 0.94 -1.00 1.96 3.11 -2.06 -2.25 116.57 116.27 2qa6 h LYS 467 Ca -0.28 -0.08 0.30 0.00 -2.81 0.00 0.00 60.65 57.78 2qa6 h LYS 467 Cb 1.11 -0.20 -0.19 0.00 -1.00 0.00 0.00 32.23 31.95 2qa6 h LYS 467 CO -0.17 0.67 0.12 0.43 -2.81 0.00 0.00 179.45 177.69 2qa6 n SER 468 N -4.39 -0.03 0.06 4.20 7.64 -1.26 -1.62 113.62 118.23 2qa6 n SER 468 Ca 0.07 1.69 0.11 0.00 1.01 0.00 0.00 58.87 61.75 2qa6 n SER 468 Cb 0.08 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.60 2qa6 n SER 468 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qa6 n LEU 469 N -5.45 0.62 0.00 -3.43 0.00 -0.87 -3.83 117.00 104.03 2qa6 n LEU 469 Ca 0.26 0.18 0.12 0.00 0.00 0.00 0.00 56.01 56.57 2qa6 n LEU 469 Cb 0.87 -0.06 0.17 0.00 0.00 0.00 0.00 43.42 44.39 2qa6 n LEU 469 CO -0.06 -0.09 0.34 1.21 0.00 0.00 0.00 177.39 178.79 2qa6 n GLU 470 N -2.40 0.02 0.13 1.96 2.13 -0.97 -3.08 120.64 118.43 2qa6 n GLU 470 Ca -0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2qa6 n GLU 470 Cb 0.52 -1.51 0.01 0.00 0.27 0.00 0.00 31.44 30.73 2qa6 n GLU 470 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2qa6 h GLU 471 N 0.00 0.00 0.50 5.31 4.39 -1.42 -3.17 114.58 120.18 2qa6 h GLU 471 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2qa6 h GLU 471 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2qa6 h GLU 471 CO 0.00 0.55 -0.24 0.87 -1.16 0.00 0.00 179.01 179.03 2qa6 h LYS 472 N 0.00 -0.64 -0.89 2.33 1.57 -1.66 -2.22 116.57 115.06 2qa6 h LYS 472 Ca -0.01 0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.06 2qa6 h LYS 472 Cb 1.43 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.74 2qa6 h LYS 472 CO 0.07 -0.36 0.29 -0.44 -0.57 0.00 0.00 179.45 178.44 2qa6 h ASP 473 N -1.08 0.10 -0.22 0.86 3.32 -1.68 -1.24 116.42 116.48 2qa6 h ASP 473 Ca -0.07 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2qa6 h ASP 473 Cb 0.58 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2qa6 h ASP 473 CO 0.11 -0.13 -0.01 -0.74 -1.72 0.00 0.00 179.24 176.76 2qa6 h HIS 474 N 0.25 0.43 -0.68 4.55 2.76 -1.54 -0.68 115.15 120.24 2qa6 h HIS 474 Ca 0.57 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.65 2qa6 h HIS 474 Cb 1.15 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.96 2qa6 h HIS 474 CO -0.22 0.59 0.38 0.82 -1.30 0.00 0.00 177.93 178.20 2qa6 h ILE 475 N 0.15 1.20 -0.17 6.26 2.04 -0.89 -2.17 117.51 123.93 2qa6 h ILE 475 Ca 0.06 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2qa6 h ILE 475 Cb 0.42 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2qa6 h ILE 475 CO 0.01 0.22 -0.06 0.45 0.00 0.00 0.00 178.15 178.77 2qa6 h HIS 476 N 0.94 0.40 -0.72 1.37 3.86 -0.92 -0.66 115.15 119.42 2qa6 h HIS 476 Ca 0.24 -0.09 0.11 0.00 -1.16 0.00 0.00 60.37 59.47 2qa6 h HIS 476 Cb 0.00 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.30 2qa6 h HIS 476 CO 0.01 0.64 0.32 0.00 0.86 0.00 0.00 177.93 179.76 2qa6 h ARG 477 N 0.04 0.51 -0.65 2.45 3.08 -1.07 0.86 114.38 119.60 2qa6 h ARG 477 Ca 0.04 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 2qa6 h ARG 477 Cb 0.52 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2qa6 h ARG 477 CO 0.02 0.34 0.07 0.28 -1.07 0.00 0.00 179.97 179.61 2qa6 h VAL 478 N 0.52 1.26 0.00 2.04 2.07 -1.17 -2.64 116.25 118.33 2qa6 h VAL 478 Ca 0.37 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2qa6 h VAL 478 Cb 0.48 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2qa6 h VAL 478 CO -0.33 0.40 -0.30 -0.07 0.02 0.00 0.00 177.57 177.29 2qa6 h LEU 479 N 1.02 0.00 -0.86 2.57 3.38 -0.66 -2.24 115.31 118.52 2qa6 h LEU 479 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2qa6 h LEU 479 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2qa6 h LEU 479 CO 0.02 0.30 -0.24 0.44 0.09 0.00 0.00 178.44 179.05 2qa6 h ASP 480 N 0.00 0.57 -0.60 -0.43 3.32 -0.58 -2.59 116.42 116.11 2qa6 h ASP 480 Ca -0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2qa6 h ASP 480 Cb 0.55 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2qa6 h ASP 480 CO 0.04 0.81 0.25 0.11 -1.72 0.00 0.00 179.24 178.73 2qa6 h LYS 481 N 0.50 0.89 -0.15 3.56 1.57 -1.07 -2.04 116.57 119.83 2qa6 h LYS 481 Ca 0.07 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2qa6 h LYS 481 Cb 0.69 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2qa6 h LYS 481 CO 0.05 0.75 -0.35 0.82 -0.57 0.00 0.00 179.45 180.15 2qa6 h ILE 482 N 0.83 1.29 0.02 1.86 2.04 -1.27 0.44 117.51 122.72 2qa6 h ILE 482 Ca 0.20 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 2qa6 h ILE 482 Cb 0.18 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2qa6 h ILE 482 CO -0.02 0.42 -0.01 0.74 0.00 0.00 0.00 178.15 179.29 2qa6 h THR 483 N 0.27 1.04 -0.31 -0.27 2.02 -1.44 0.28 112.91 114.51 2qa6 h THR 483 Ca 0.03 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.10 2qa6 h THR 483 Cb 0.74 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 2qa6 h THR 483 CO 0.06 0.05 -0.11 0.44 0.37 0.00 0.00 175.52 176.32 2qa6 h ASP 484 N -0.10 -0.38 -0.77 4.18 3.32 -0.30 -1.18 116.42 121.18 2qa6 h ASP 484 Ca -0.00 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.23 2qa6 h ASP 484 Cb 0.09 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 2qa6 h ASP 484 CO 0.00 -0.14 0.44 0.74 -1.72 0.00 0.00 179.24 178.56 2qa6 h THR 485 N -0.05 0.94 0.04 0.35 2.02 0.02 -0.56 112.91 115.67 2qa6 h THR 485 Ca 0.15 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.10 2qa6 h THR 485 Cb 0.28 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 2qa6 h THR 485 CO -0.34 0.14 -0.23 -0.07 0.37 0.00 0.00 175.52 175.39 2qa6 h LEU 486 N 0.77 -0.66 -0.53 2.58 3.38 0.73 -1.25 115.31 120.32 2qa6 h LEU 486 Ca 0.36 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 2qa6 h LEU 486 Cb 0.29 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2qa6 h LEU 486 CO -0.22 -0.30 0.21 0.40 0.09 0.00 0.00 178.44 178.62 2qa6 h ILE 487 N -0.38 1.22 -0.81 1.22 1.08 -0.61 -1.73 117.51 117.50 2qa6 h ILE 487 Ca 0.05 -0.68 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 2qa6 h ILE 487 Cb 0.44 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2qa6 h ILE 487 CO -0.18 0.26 0.40 -0.74 -0.69 0.00 0.00 178.15 177.20 2qa6 h HIS 488 N 0.71 1.16 -0.76 1.37 2.76 -1.02 0.46 115.15 119.83 2qa6 h HIS 488 Ca 0.18 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.38 2qa6 h HIS 488 Cb 0.20 -0.36 -0.07 0.00 1.55 0.00 0.00 27.41 28.73 2qa6 h HIS 488 CO 0.01 0.84 0.42 -0.07 -1.30 0.00 0.00 177.93 177.82 2qa6 h LEU 489 N 1.15 0.59 -0.93 0.26 3.38 -0.74 -0.12 115.31 118.90 2qa6 h LEU 489 Ca 0.28 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2qa6 h LEU 489 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qa6 h LEU 489 CO -0.04 0.35 -0.31 0.24 0.09 0.00 0.00 178.44 178.77 2qa6 h MET 490 N 0.72 0.00 -0.03 1.13 2.86 -0.12 -1.74 114.93 117.76 2qa6 h MET 490 Ca 0.36 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.91 2qa6 h MET 490 Cb 0.31 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.98 2qa6 h MET 490 CO -0.23 0.31 -0.34 0.00 1.06 0.00 0.00 176.91 177.71 2qa6 h ALA 491 N 1.69 0.08 -0.66 6.32 0.00 0.16 -1.92 119.26 124.94 2qa6 h ALA 491 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2qa6 h ALA 491 Cb 0.87 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2qa6 h ALA 491 CO 0.04 0.17 0.44 0.87 0.00 0.00 0.00 179.25 180.76 2qa6 h LYS 492 N -0.28 0.61 0.00 0.00 1.57 -0.80 -1.00 116.57 116.67 2qa6 h LYS 492 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qa6 h LYS 492 Cb 1.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2qa6 h LYS 492 CO 0.07 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 2qa6 n ALA 493 N -2.47 2.46 -1.76 3.86 0.00 -0.67 -4.93 120.51 117.00 2qa6 n ALA 493 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qa6 n ALA 493 Cb 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2qa6 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa6 n GLY 494 N 1.09 0.58 3.77 0.00 0.00 -0.38 -5.06 105.19 105.19 2qa6 n GLY 494 Ca 0.15 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 2qa6 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa6 s LEU 495 N -0.01 4.56 0.93 0.99 1.02 -0.72 -5.05 118.68 120.40 2qa6 s LEU 495 Ca 0.00 1.80 -0.11 0.00 0.02 0.00 0.00 54.13 55.84 2qa6 s LEU 495 Cb 0.00 -3.57 0.15 0.00 0.02 0.00 0.00 46.19 42.79 2qa6 s LEU 495 CO 0.00 0.13 1.10 0.42 0.02 0.00 0.00 176.35 178.02 2qa6 s THR 496 N -1.26 2.41 0.24 5.49 -4.23 -1.26 -4.68 115.64 112.35 2qa6 s THR 496 Ca 0.41 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 2qa6 s THR 496 Cb -0.23 -2.35 0.14 0.00 1.34 0.00 0.00 72.50 71.40 2qa6 s THR 496 CO 0.28 -0.18 1.78 0.25 -0.54 0.00 0.00 174.62 176.21 2qa6 h LEU 497 N -1.82 0.90 -0.76 4.79 6.46 -1.98 0.37 115.31 123.27 2qa6 h LEU 497 Ca -0.48 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.04 2qa6 h LEU 497 Cb 1.28 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 2qa6 h LEU 497 CO 0.48 0.88 0.25 -0.61 -0.62 0.00 0.00 178.44 178.82 2qa6 h GLN 498 N 0.92 1.18 0.00 1.25 4.15 -2.00 -2.67 115.11 117.93 2qa6 h GLN 498 Ca 0.19 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 2qa6 h GLN 498 Cb 0.34 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2qa6 h GLN 498 CO 0.00 0.99 -0.30 1.96 -1.93 0.00 0.00 178.83 179.55 2qa6 h GLN 499 N 1.13 0.00 0.25 1.69 4.20 -1.37 -2.41 115.11 118.60 2qa6 h GLN 499 Ca 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2qa6 h GLN 499 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2qa6 h GLN 499 CO -0.01 0.30 -0.12 1.96 -0.67 0.00 0.00 178.83 180.29 2qa6 h GLN 500 N 0.00 -0.33 -0.01 1.46 4.20 -0.04 -1.97 115.11 118.43 2qa6 h GLN 500 Ca -0.00 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 2qa6 h GLN 500 Cb 0.75 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2qa6 h GLN 500 CO 0.04 -0.08 -0.48 1.12 -0.67 0.00 0.00 178.83 178.76 2qa6 h HIS 501 N -0.53 0.02 -0.16 2.96 2.07 -1.46 -1.93 115.15 116.13 2qa6 h HIS 501 Ca -0.03 -0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.42 2qa6 h HIS 501 Cb 0.39 -0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.37 2qa6 h HIS 501 CO -0.01 0.50 -0.12 1.96 -3.07 0.00 0.00 177.93 177.19 2qa6 h GLN 502 N 0.02 0.37 -0.09 5.12 4.20 -1.45 -1.59 115.11 121.69 2qa6 h GLN 502 Ca -0.00 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2qa6 h GLN 502 Cb 0.86 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 2qa6 h GLN 502 CO 0.06 0.71 0.04 -0.09 -0.67 0.00 0.00 178.83 178.88 2qa6 h ARG 503 N 0.02 0.13 -0.70 1.46 2.43 -1.35 -2.44 114.38 113.93 2qa6 h ARG 503 Ca 0.03 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 2qa6 h ARG 503 Cb 0.63 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.06 2qa6 h ARG 503 CO 0.03 0.24 0.18 1.25 -1.51 0.00 0.00 179.97 180.16 2qa6 h LEU 504 N -0.01 0.05 -1.05 3.80 5.85 -1.28 0.28 115.31 122.95 2qa6 h LEU 504 Ca 0.03 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2qa6 h LEU 504 Cb 0.16 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2qa6 h LEU 504 CO -0.00 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2qa6 h ALA 505 N 1.56 1.21 -0.27 1.25 0.00 -1.20 -2.66 119.26 119.14 2qa6 h ALA 505 Ca 0.38 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2qa6 h ALA 505 Cb 0.61 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qa6 h ALA 505 CO -0.46 0.52 -0.45 1.96 0.00 0.00 0.00 179.25 180.82 2qa6 h GLN 506 N 0.64 0.79 -0.53 0.00 4.20 -0.01 0.09 115.11 120.29 2qa6 h GLN 506 Ca 0.13 -0.48 -0.10 0.00 0.06 0.00 0.00 58.65 58.26 2qa6 h GLN 506 Cb 0.40 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2qa6 h GLN 506 CO 0.02 1.11 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.16 2qa6 h LEU 507 N 0.54 0.92 -1.01 1.46 3.38 -1.14 -2.60 115.31 116.87 2qa6 h LEU 507 Ca 0.02 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2qa6 h LEU 507 Cb 1.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2qa6 h LEU 507 CO 0.10 1.01 -0.32 -0.07 0.09 0.00 0.00 178.44 179.26 2qa6 h LEU 508 N 0.85 0.31 -0.93 1.67 3.38 -1.28 -2.91 115.31 116.40 2qa6 h LEU 508 Ca 0.15 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2qa6 h LEU 508 Cb 0.58 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2qa6 h LEU 508 CO 0.04 0.62 -0.52 -0.07 0.09 0.00 0.00 178.44 178.60 2qa6 h LEU 509 N 0.27 0.00 -1.85 1.67 3.38 -0.72 -2.07 115.31 115.99 2qa6 h LEU 509 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2qa6 h LEU 509 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2qa6 h LEU 509 CO 0.05 0.52 -0.11 0.40 0.09 0.00 0.00 178.44 179.40 2qa6 h ILE 510 N 0.00 0.96 0.00 1.22 2.04 -1.27 -2.59 117.51 117.87 2qa6 h ILE 510 Ca -0.01 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2qa6 h ILE 510 Cb 0.95 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2qa6 h ILE 510 CO 0.07 0.11 -0.09 -0.07 0.00 0.00 0.00 178.15 178.17 2qa6 h LEU 511 N 0.00 0.00 -0.22 1.44 3.38 -1.33 0.45 115.31 119.02 2qa6 h LEU 511 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2qa6 h LEU 511 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qa6 h LEU 511 CO 0.01 0.09 -0.87 -1.28 0.09 0.00 0.00 178.44 176.48 2qa6 h SER 512 N 0.00 0.59 0.42 -0.43 0.87 -1.54 -2.35 113.55 111.11 2qa6 h SER 512 Ca -0.00 -0.44 -0.26 0.00 -1.23 0.00 0.00 61.79 59.86 2qa6 h SER 512 Cb 0.31 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2qa6 h SER 512 CO 0.01 1.22 -1.13 -0.74 -0.53 0.00 0.00 176.83 175.67 2qa6 h HIS 513 N 0.29 0.64 -0.27 2.24 -0.00 -1.12 -2.61 115.15 114.33 2qa6 h HIS 513 Ca -0.07 -0.41 0.01 0.00 -0.00 0.00 0.00 60.37 59.91 2qa6 h HIS 513 Cb 1.49 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.84 2qa6 h HIS 513 CO 0.06 1.27 0.18 0.82 -0.00 0.00 0.00 177.93 180.26 2qa6 h ILE 514 N 0.17 1.05 -0.32 6.26 2.04 -0.95 -2.12 117.51 123.64 2qa6 h ILE 514 Ca -0.12 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 2qa6 h ILE 514 Cb 1.80 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2qa6 h ILE 514 CO 0.20 0.06 -0.39 -0.09 0.00 0.00 0.00 178.15 177.92 2qa6 h ARG 515 N 0.33 0.78 -0.87 2.37 9.65 -1.06 -1.92 114.38 123.66 2qa6 h ARG 515 Ca 0.10 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 2qa6 h ARG 515 Cb 0.01 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2qa6 h ARG 515 CO -0.02 1.03 0.50 1.25 2.80 0.00 0.00 179.97 185.53 2qa6 h HIS 516 N 0.64 1.16 -0.57 2.20 2.76 -1.14 -1.43 115.15 118.77 2qa6 h HIS 516 Ca 0.05 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2qa6 h HIS 516 Cb 0.95 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 2qa6 h HIS 516 CO 0.05 0.79 0.08 0.52 -1.30 0.00 0.00 177.93 178.07 2qa6 h MET 517 N 1.20 0.92 -0.30 5.26 2.86 -1.16 -1.95 114.93 121.77 2qa6 h MET 517 Ca 0.31 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2qa6 h MET 517 Cb -0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2qa6 h MET 517 CO -0.05 0.86 -0.02 1.03 1.06 0.00 0.00 176.91 179.79 2qa6 h SER 518 N 0.87 0.53 -0.83 1.22 0.87 -1.04 0.03 113.55 115.20 2qa6 h SER 518 Ca 0.18 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2qa6 h SER 518 Cb 0.40 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2qa6 h SER 518 CO 0.01 0.73 0.54 0.78 -0.53 0.00 0.00 176.83 178.36 2qa6 h ASN 519 N 0.32 0.97 -0.20 6.23 2.35 -1.10 0.32 115.58 124.46 2qa6 h ASN 519 Ca 0.08 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2qa6 h ASN 519 Cb 0.47 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2qa6 h ASN 519 CO 0.02 0.71 -0.15 0.11 -1.65 0.00 0.00 177.43 176.48 2qa6 h LYS 520 N 1.13 0.46 -0.38 0.81 1.79 -1.28 -2.47 116.57 116.63 2qa6 h LYS 520 Ca 0.30 -0.22 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 2qa6 h LYS 520 Cb -0.10 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 2qa6 h LYS 520 CO -0.06 0.78 -0.05 0.78 -1.08 0.00 0.00 179.45 179.82 2qa6 h GLY 521 N 0.14 0.67 0.89 3.86 0.00 -0.76 0.30 103.07 108.15 2qa6 h GLY 521 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2qa6 h GLY 521 CO 0.04 0.41 -0.10 1.98 0.00 0.00 0.00 176.54 178.86 2qa6 h MET 522 N 0.58 -0.22 -0.77 4.80 1.85 -0.99 0.15 114.93 120.33 2qa6 h MET 522 Ca 0.11 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.26 2qa6 h MET 522 Cb 0.44 0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.47 2qa6 h MET 522 CO 0.02 -0.15 0.48 0.93 -0.40 0.00 0.00 176.91 177.79 2qa6 h GLU 523 N -0.23 0.88 0.09 0.39 4.39 -0.93 -1.22 114.58 117.95 2qa6 h GLU 523 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2qa6 h GLU 523 Cb 0.22 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2qa6 h GLU 523 CO -0.02 0.58 -0.04 1.25 -1.16 0.00 0.00 179.01 179.62 2qa6 h HIS 524 N 0.91 -0.12 -0.87 4.33 2.76 -0.04 -1.62 115.15 120.51 2qa6 h HIS 524 Ca 0.32 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.63 2qa6 h HIS 524 Cb 0.08 0.04 -0.09 0.00 1.55 0.00 0.00 27.41 28.99 2qa6 h HIS 524 CO -0.04 -0.00 0.47 -0.07 -1.30 0.00 0.00 177.93 176.99 2qa6 h LEU 525 N -0.20 0.61 -0.81 0.26 4.07 -0.62 -2.41 115.31 116.21 2qa6 h LEU 525 Ca -0.01 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 2qa6 h LEU 525 Cb 0.16 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 2qa6 h LEU 525 CO 0.02 0.27 0.42 0.22 -1.08 0.00 0.00 178.44 178.30 2qa6 h TYR 526 N 0.69 1.14 0.67 1.13 5.03 -0.55 -0.23 116.97 124.85 2qa6 h TYR 526 Ca 0.47 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.71 2qa6 h TYR 526 Cb 0.62 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 2qa6 h TYR 526 CO -0.07 0.81 -0.47 0.77 -1.32 0.00 0.00 178.16 177.87 2qa6 h SER 527 N 1.14 -1.23 -0.95 -2.11 0.02 -0.91 0.14 113.55 109.65 2qa6 h SER 527 Ca 0.28 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.51 2qa6 h SER 527 Cb 0.07 0.37 -0.18 0.00 0.14 0.00 0.00 62.40 62.80 2qa6 h SER 527 CO -0.04 -0.69 -0.19 0.23 -1.14 0.00 0.00 176.83 174.99 2qa6 n MET 528 N -5.40 -0.08 0.10 3.45 2.81 -0.94 0.02 117.12 117.08 2qa6 n MET 528 Ca -0.13 1.47 -0.13 0.00 -1.81 0.00 0.00 57.70 57.10 2qa6 n MET 528 Cb 0.47 -2.22 -0.08 0.00 -0.71 0.00 0.00 33.22 30.67 2qa6 n MET 528 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2qa6 h LYS 529 N 0.00 -0.23 0.00 0.03 3.11 -0.69 -1.98 116.57 116.81 2qa6 h LYS 529 Ca 0.48 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.33 2qa6 h LYS 529 Cb 0.78 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 2qa6 h LYS 529 CO -0.96 0.03 0.00 0.00 -2.81 0.00 0.00 179.45 175.71 2qa6 n LYS 531 N -2.94 2.35 -2.95 0.00 5.02 0.10 -4.97 118.16 114.78 2qa6 n LYS 531 Ca -0.01 -2.08 -0.21 0.00 -2.02 0.00 0.00 58.31 53.99 2qa6 n LYS 531 Cb 0.17 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 2qa6 n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qa6 n ASN 532 N 1.23 -5.08 0.05 4.39 4.13 -0.39 -4.87 115.26 114.72 2qa6 n ASN 532 Ca 0.20 -0.21 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 2qa6 n ASN 532 Cb 0.52 -4.17 -0.02 0.00 -1.54 0.00 0.00 39.78 34.58 2qa6 n ASN 532 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2qa6 h VAL 533 N -0.88 1.37 -2.98 2.41 2.07 -1.61 -3.46 116.25 113.17 2qa6 h VAL 533 Ca -0.46 -2.24 -0.15 0.00 0.82 0.00 0.00 66.70 64.67 2qa6 h VAL 533 Cb 1.32 2.22 -0.25 0.00 -1.52 0.00 0.00 31.29 33.06 2qa6 h VAL 533 CO 0.53 0.68 -0.37 0.54 0.02 0.00 0.00 177.57 178.97 2qa6 s VAL 534 N -3.49 -0.00 0.32 2.57 0.11 -1.26 -4.68 120.40 113.96 2qa6 s VAL 534 Ca -0.06 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.74 2qa6 s VAL 534 Cb 0.09 -0.43 -0.10 0.00 -1.53 0.00 0.00 36.38 34.41 2qa6 s VAL 534 CO 0.86 0.01 0.99 -2.84 -3.33 0.00 0.00 175.10 170.79 2qa6 s PRO 535 N 0.31 4.54 -0.10 1.54 0.02 -1.26 -4.82 135.00 135.24 2qa6 s PRO 535 Ca -0.01 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.47 2qa6 s PRO 535 Cb -0.03 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.60 2qa6 s PRO 535 CO -0.01 0.22 -0.10 -0.51 -0.33 0.00 0.00 177.00 176.27 2qa6 s LEU 536 N -1.97 2.95 0.49 -5.54 1.02 -1.26 -4.97 118.68 109.40 2qa6 s LEU 536 Ca 0.50 -0.17 -0.24 0.00 0.02 0.00 0.00 54.13 54.24 2qa6 s LEU 536 Cb -0.22 -1.65 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 2qa6 s LEU 536 CO 0.28 0.27 1.34 -0.94 0.02 0.00 0.00 176.35 177.32 2qa6 s SER 537 N -0.25 5.72 0.43 2.29 1.04 -1.26 -4.70 113.70 116.98 2qa6 s SER 537 Ca 0.02 2.72 0.18 0.00 0.48 0.00 0.00 55.95 59.35 2qa6 s SER 537 Cb -0.13 -2.64 1.10 0.00 0.10 0.00 0.00 66.02 64.45 2qa6 s SER 537 CO 0.03 -1.26 1.89 0.44 0.98 0.00 0.00 173.24 175.32 2qa6 h ASP 538 N 1.97 0.36 0.26 7.02 5.19 -1.99 0.45 116.42 129.68 2qa6 h ASP 538 Ca -0.50 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 2qa6 h ASP 538 Cb 1.27 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2qa6 h ASP 538 CO 0.60 0.17 -0.12 0.25 -3.12 0.00 0.00 179.24 177.01 2qa6 h LEU 539 N 0.38 -0.29 -0.75 1.55 5.85 -1.99 0.24 115.31 120.29 2qa6 h LEU 539 Ca 0.41 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2qa6 h LEU 539 Cb 1.03 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2qa6 h LEU 539 CO -0.13 -0.09 0.46 -0.07 -0.34 0.00 0.00 178.44 178.27 2qa6 h LEU 540 N -0.48 0.90 -0.49 2.25 3.38 -0.64 0.04 115.31 120.27 2qa6 h LEU 540 Ca -0.04 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.97 2qa6 h LEU 540 Cb 0.36 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 2qa6 h LEU 540 CO 0.06 0.69 -0.02 -0.07 0.09 0.00 0.00 178.44 179.19 2qa6 h LEU 541 N 1.03 -0.25 -0.50 1.67 4.07 -0.54 0.72 115.31 121.51 2qa6 h LEU 541 Ca 0.27 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.31 2qa6 h LEU 541 Cb -0.05 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 2qa6 h LEU 541 CO -0.05 -0.09 0.14 -0.33 -1.08 0.00 0.00 178.44 177.03 2qa6 h GLU 542 N 0.09 0.78 -0.66 1.13 5.08 0.58 0.74 114.58 122.33 2qa6 h GLU 542 Ca 0.25 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2qa6 h GLU 542 Cb 0.37 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2qa6 h GLU 542 CO -0.43 0.74 0.38 0.52 -1.00 0.00 0.00 179.01 179.23 2qa6 h MET 543 N 0.67 0.71 -0.20 2.33 2.86 -0.71 -1.82 114.93 118.78 2qa6 h MET 543 Ca 0.16 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2qa6 h MET 543 Cb 0.30 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2qa6 h MET 543 CO -0.00 0.47 -0.09 1.25 1.06 0.00 0.00 176.91 179.60 2qa6 h LEU 544 N 0.73 0.41 -2.13 1.22 5.85 -0.61 -2.46 115.31 118.33 2qa6 h LEU 544 Ca 0.28 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2qa6 h LEU 544 Cb 0.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2qa6 h LEU 544 CO -0.15 0.73 0.00 0.44 -0.34 0.00 0.00 178.44 179.12 2qa6 h ASP 545 N 0.10 0.00 -0.67 1.25 5.19 -0.56 -2.62 116.42 119.11 2qa6 h ASP 545 Ca 0.04 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.52 2qa6 h ASP 545 Cb 0.57 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.02 2qa6 h ASP 545 CO 0.03 0.00 0.37 0.00 -3.12 0.00 0.00 179.24 176.52 2qa6 h ALA 546 N 2.02 0.90 -0.27 3.45 0.00 -0.83 -2.98 119.26 121.55 2qa6 h ALA 546 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qa6 h ALA 546 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qa6 h ALA 546 CO 0.00 0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.02 2qa6 n HIS 547 N -4.79 0.86 -1.32 0.00 8.25 -0.99 -4.96 115.22 112.29 2qa6 n HIS 547 Ca 0.09 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2qa6 n HIS 547 Cb 0.18 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2qa6 n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qa6 n ARG 548 N 0.32 0.00 -2.47 -0.41 1.74 -1.13 -4.89 116.66 109.82 2qa6 n ARG 548 Ca 0.12 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.97 2qa6 n ARG 548 Cb 0.61 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.14 2qa6 n ARG 548 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qa6 s LEU 549 N -0.85 3.02 0.00 0.55 2.01 -1.26 -5.17 118.68 116.98 2qa6 s LEU 549 Ca 0.00 -0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.11 2qa6 s LEU 549 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 46.19 43.66 2qa6 s LEU 549 CO 0.00 -1.63 0.00 1.41 1.01 0.00 0.00 176.35 177.14