#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xp6 n LEU 308 N 0.00 1.58 0.00 0.00 4.32 -1.26 -3.98 117.00 117.66 1xp6 n LEU 308 Ca 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 1xp6 n LEU 308 Cb 0.00 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1xp6 n LEU 308 CO 0.00 0.29 -0.06 -0.24 -1.22 0.00 0.00 177.39 176.16 1xp6 n SER 309 N -0.23 0.62 -4.77 -1.43 2.88 -1.26 -5.05 113.62 104.38 1xp6 n SER 309 Ca 0.12 -0.32 -0.41 0.00 -1.33 0.00 0.00 58.87 56.93 1xp6 n SER 309 Cb 0.41 0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 64.62 1xp6 n SER 309 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1xp6 s LEU 310 N -1.64 4.33 1.07 2.46 2.96 -1.26 -5.01 118.68 121.59 1xp6 s LEU 310 Ca 0.00 3.02 -0.15 0.00 -0.22 0.00 0.00 54.13 56.77 1xp6 s LEU 310 Cb 0.00 -3.65 0.22 0.00 0.50 0.00 0.00 46.19 43.26 1xp6 s LEU 310 CO 0.00 -0.90 1.12 0.28 -1.32 0.00 0.00 176.35 175.53 1xp6 s THR 311 N -0.58 1.84 0.13 3.68 -1.32 -1.26 -4.82 115.64 113.31 1xp6 s THR 311 Ca 0.58 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.89 1xp6 s THR 311 Cb -0.47 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 67.94 1xp6 s THR 311 CO 0.56 0.00 1.73 0.00 -2.21 0.00 0.00 174.62 174.70 1xp6 h ALA 312 N -2.12 0.45 -0.55 11.08 0.00 -1.93 -1.54 119.26 124.64 1xp6 h ALA 312 Ca -0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1xp6 h ALA 312 Cb 1.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1xp6 h ALA 312 CO 0.48 -0.02 0.32 -0.44 0.00 0.00 0.00 179.25 179.59 1xp6 h ASP 313 N 0.43 0.66 0.89 0.00 5.19 -1.96 -2.18 116.42 119.46 1xp6 h ASP 313 Ca 0.12 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 1xp6 h ASP 313 Cb 0.07 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1xp6 h ASP 313 CO -0.02 0.52 -0.59 1.56 -3.12 0.00 0.00 179.24 177.59 1xp6 h GLN 314 N 0.76 0.00 -0.11 3.56 4.20 -1.82 -2.19 115.11 119.50 1xp6 h GLN 314 Ca 0.20 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 1xp6 h GLN 314 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1xp6 h GLN 314 CO -0.04 0.59 -0.35 1.98 -0.67 0.00 0.00 178.83 180.34 1xp6 h MET 315 N 0.00 0.44 -0.20 1.46 4.05 -0.70 -1.10 114.93 118.87 1xp6 h MET 315 Ca -0.01 -0.32 0.02 0.00 -0.28 0.00 0.00 59.70 59.11 1xp6 h MET 315 Cb 1.20 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 1xp6 h MET 315 CO 0.08 0.94 0.08 0.28 0.23 0.00 0.00 176.91 178.52 1xp6 h VAL 316 N 0.02 0.97 -0.23 -5.77 2.07 -1.40 0.72 116.25 112.63 1xp6 h VAL 316 Ca -0.01 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1xp6 h VAL 316 Cb 0.98 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1xp6 h VAL 316 CO 0.08 0.03 -0.36 -1.28 0.02 0.00 0.00 177.57 176.06 1xp6 h SER 317 N 0.18 0.52 -0.60 0.57 0.87 -1.44 0.68 113.55 114.33 1xp6 h SER 317 Ca 0.09 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.35 1xp6 h SER 317 Cb 0.04 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1xp6 h SER 317 CO -0.08 0.84 0.08 0.00 -0.53 0.00 0.00 176.83 177.14 1xp6 h ALA 318 N 1.19 0.96 -0.44 6.23 0.00 -0.62 -0.91 119.26 125.66 1xp6 h ALA 318 Ca 0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1xp6 h ALA 318 Cb 0.83 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xp6 h ALA 318 CO 0.07 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 1xp6 h LEU 319 N 0.97 0.84 -0.67 0.00 3.38 -0.66 -1.58 115.31 117.59 1xp6 h LEU 319 Ca 0.19 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1xp6 h LEU 319 Cb 0.45 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xp6 h LEU 319 CO 0.02 0.99 0.29 -0.07 0.09 0.00 0.00 178.44 179.75 1xp6 h LEU 320 N 0.67 0.90 -1.63 1.67 3.38 -0.75 -2.72 115.31 116.82 1xp6 h LEU 320 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xp6 h LEU 320 Cb 0.61 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xp6 h LEU 320 CO 0.04 0.80 0.01 0.44 0.09 0.00 0.00 178.44 179.82 1xp6 h ASP 321 N 0.93 0.22 0.44 -0.43 3.32 -1.00 -2.95 116.42 116.94 1xp6 h ASP 321 Ca 0.22 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1xp6 h ASP 321 Cb 0.17 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xp6 h ASP 321 CO -0.02 0.25 -0.07 0.00 -1.72 0.00 0.00 179.24 177.68 1xp6 n ALA 322 N -2.50 2.67 -1.71 3.45 0.00 -0.61 -4.95 120.51 116.85 1xp6 n ALA 322 Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1xp6 n ALA 322 Cb 0.16 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1xp6 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xp6 n GLU 323 N -1.09 2.24 -1.75 0.00 -0.58 -1.12 -4.58 120.64 113.76 1xp6 n GLU 323 Ca 0.14 0.79 -0.30 0.00 -0.42 0.00 0.00 57.16 57.37 1xp6 n GLU 323 Cb 0.26 -2.40 0.06 0.00 -0.57 0.00 0.00 31.44 28.79 1xp6 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1xp6 s PRO 324 N -1.90 2.54 0.71 3.49 0.04 -1.26 -5.04 135.00 133.58 1xp6 s PRO 324 Ca 0.55 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1xp6 s PRO 324 Cb -0.55 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1xp6 s PRO 324 CO 0.62 -1.28 1.09 -1.25 0.04 0.00 0.00 177.00 176.23 1xp6 s PRO 325 N -5.28 2.84 -0.24 0.56 0.04 -1.26 -5.02 135.00 126.64 1xp6 s PRO 325 Ca 0.59 0.52 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 1xp6 s PRO 325 Cb -0.12 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1xp6 s PRO 325 CO 0.53 -1.06 0.66 0.42 0.04 0.00 0.00 177.00 177.58 1xp6 s ILE 326 N -3.31 4.97 0.35 0.56 1.09 -1.26 -5.05 121.20 118.54 1xp6 s ILE 326 Ca 0.58 1.20 0.01 0.00 -1.10 0.00 0.00 60.65 61.34 1xp6 s ILE 326 Cb -0.11 -3.96 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 1xp6 s ILE 326 CO 0.52 0.02 0.55 -0.76 -0.10 0.00 0.00 174.94 175.18 1xp6 s LEU 327 N 2.47 4.00 0.17 2.97 1.43 -1.26 -5.02 118.68 123.44 1xp6 s LEU 327 Ca 0.28 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1xp6 s LEU 327 Cb -0.15 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1xp6 s LEU 327 CO 0.09 -0.32 0.21 -0.31 0.23 0.00 0.00 176.35 176.24 1xp6 s TYR 328 N -2.32 3.28 0.42 0.29 1.51 -1.26 -4.34 117.35 114.93 1xp6 s TYR 328 Ca 0.40 0.02 -0.24 0.00 -1.01 0.00 0.00 57.07 56.25 1xp6 s TYR 328 Cb -0.10 -1.56 -0.08 0.00 -0.11 0.00 0.00 41.96 40.11 1xp6 s TYR 328 CO 0.36 0.51 1.12 0.45 -1.11 0.00 0.00 175.55 176.88 1xp6 s SER 329 N -3.26 6.47 -0.69 2.29 0.15 -1.26 -4.94 113.70 112.47 1xp6 s SER 329 Ca 0.33 2.22 -0.11 0.00 0.70 0.00 0.00 55.95 59.09 1xp6 s SER 329 Cb -0.10 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.79 1xp6 s SER 329 CO 0.26 -0.70 0.59 -0.70 1.20 0.00 0.00 173.24 173.89 1xp6 s GLU 330 N -2.52 3.10 0.03 5.44 2.12 -1.26 -5.00 118.70 120.61 1xp6 s GLU 330 Ca 0.60 -2.30 -0.16 0.00 0.36 0.00 0.00 54.97 53.48 1xp6 s GLU 330 Cb -0.27 -4.16 0.03 0.00 0.26 0.00 0.00 34.13 29.99 1xp6 s GLU 330 CO 0.33 -1.25 0.35 1.52 -0.54 0.00 0.00 175.26 175.67 1xp6 s TYR 331 N 0.44 -0.18 -0.30 5.30 -0.85 -1.26 -4.99 117.35 115.50 1xp6 s TYR 331 Ca 0.14 0.12 -0.29 0.00 -0.52 0.00 0.00 57.07 56.52 1xp6 s TYR 331 Cb -0.17 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.30 1xp6 s TYR 331 CO -0.05 -0.51 1.48 0.34 -1.52 0.00 0.00 175.55 175.29 1xp6 s ASP 332 N -1.92 6.42 0.00 -0.18 -1.08 -1.26 -4.85 116.67 113.80 1xp6 s ASP 332 Ca -0.06 1.26 0.26 0.00 -0.52 0.00 0.00 52.55 53.48 1xp6 s ASP 332 Cb -0.01 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.40 1xp6 s ASP 332 CO -0.02 -1.28 1.89 -0.81 0.52 0.00 0.00 175.17 175.47 1xp6 n PRO 333 N 7.72 0.72 -0.01 4.34 -0.04 -1.26 -1.60 135.00 144.86 1xp6 n PRO 333 Ca 0.17 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1xp6 n PRO 333 Cb 0.46 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 1xp6 n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xp6 n THR 334 N -1.06 0.03 -4.39 0.52 -2.24 -1.26 -4.96 114.28 100.93 1xp6 n THR 334 Ca 0.18 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 1xp6 n THR 334 Cb 0.11 1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 1xp6 n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xp6 s ARG 335 N -1.97 1.97 1.10 -0.78 3.00 -0.63 -5.13 118.95 116.51 1xp6 s ARG 335 Ca 0.32 -1.60 -0.16 0.00 0.00 0.00 0.00 55.73 54.29 1xp6 s ARG 335 Cb 0.20 -1.96 0.24 0.00 0.00 0.00 0.00 34.95 33.43 1xp6 s ARG 335 CO 0.31 0.35 1.12 -1.25 0.00 0.00 0.00 175.30 175.83 1xp6 s PRO 336 N -3.58 -0.37 -0.15 3.54 0.04 -1.26 -4.96 135.00 128.26 1xp6 s PRO 336 Ca 0.31 0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1xp6 s PRO 336 Cb -0.06 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 1xp6 s PRO 336 CO 0.17 -3.18 -0.08 0.34 0.04 0.00 0.00 177.00 174.29 1xp6 n PHE 337 N -4.42 0.00 0.13 0.56 7.35 -1.26 -4.47 117.46 115.35 1xp6 n PHE 337 Ca 0.10 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.98 1xp6 n PHE 337 Cb 0.59 -0.62 0.77 0.00 0.35 0.00 0.00 39.48 40.57 1xp6 n PHE 337 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1xp6 h SER 338 N 0.00 0.00 1.56 -2.13 4.64 -2.05 0.23 113.55 115.80 1xp6 h SER 338 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1xp6 h SER 338 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1xp6 h SER 338 CO -0.03 0.00 -0.03 -0.08 -0.87 0.00 0.00 176.83 175.82 1xp6 h GLU 339 N 0.00 0.00 -6.61 4.77 4.81 -2.00 -3.46 114.58 112.09 1xp6 h GLU 339 Ca 0.16 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.87 1xp6 h GLU 339 Cb 0.91 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1xp6 h GLU 339 CO -0.00 0.00 0.10 0.00 -0.73 0.00 0.00 179.01 178.38 1xp6 s ALA 340 N -3.13 3.39 -0.29 2.92 0.00 0.07 -5.04 121.76 119.69 1xp6 s ALA 340 Ca 0.10 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 1xp6 s ALA 340 Cb 0.11 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1xp6 s ALA 340 CO 0.62 0.33 0.73 0.45 0.00 0.00 0.00 175.76 177.89 1xp6 s SER 341 N -1.82 6.63 0.22 0.00 0.15 -1.26 -4.92 113.70 112.71 1xp6 s SER 341 Ca 0.46 0.67 -0.08 0.00 0.70 0.00 0.00 55.95 57.70 1xp6 s SER 341 Cb -0.15 -2.38 0.17 0.00 -1.71 0.00 0.00 66.02 61.95 1xp6 s SER 341 CO 0.20 -0.53 1.83 -0.03 1.20 0.00 0.00 173.24 175.92 1xp6 h MET 342 N 8.03 1.15 -0.06 5.44 4.05 -1.96 -0.46 114.93 131.12 1xp6 h MET 342 Ca -0.25 -0.14 -0.11 0.00 -0.28 0.00 0.00 59.70 58.92 1xp6 h MET 342 Cb 1.11 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1xp6 h MET 342 CO 0.84 0.85 -0.46 1.98 0.23 0.00 0.00 176.91 180.35 1xp6 h MET 343 N 1.14 0.14 -0.00 0.39 1.85 -1.98 -0.94 114.93 115.53 1xp6 h MET 343 Ca 0.29 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.31 1xp6 h MET 343 Cb 0.04 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.07 1xp6 h MET 343 CO -0.05 0.58 -0.01 0.78 -0.40 0.00 0.00 176.91 177.82 1xp6 h GLY 344 N 1.35 -0.01 0.69 1.39 0.00 -1.77 0.19 103.07 104.90 1xp6 h GLY 344 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1xp6 h GLY 344 CO 0.07 -0.01 -0.05 1.41 0.00 0.00 0.00 176.54 177.96 1xp6 h LEU 345 N -0.01 -0.17 -0.24 3.11 3.38 -0.76 -1.13 115.31 119.49 1xp6 h LEU 345 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xp6 h LEU 345 Cb 0.02 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xp6 h LEU 345 CO -0.01 -0.07 0.08 -0.07 0.09 0.00 0.00 178.44 178.46 1xp6 h LEU 346 N -0.03 0.35 -0.85 1.67 3.38 -1.10 -2.08 115.31 116.64 1xp6 h LEU 346 Ca 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xp6 h LEU 346 Cb 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1xp6 h LEU 346 CO -0.16 0.46 0.52 0.74 0.09 0.00 0.00 178.44 180.09 1xp6 h THR 347 N 0.22 1.24 -0.52 0.22 2.02 -0.51 -1.00 112.91 114.58 1xp6 h THR 347 Ca 0.08 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 1xp6 h THR 347 Cb 0.23 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1xp6 h THR 347 CO -0.00 0.24 0.02 0.78 0.37 0.00 0.00 175.52 176.93 1xp6 h ASN 348 N 1.17 0.88 0.38 4.18 2.35 -1.05 -1.17 115.58 122.32 1xp6 h ASN 348 Ca 0.31 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1xp6 h ASN 348 Cb -0.06 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.07 1xp6 h ASN 348 CO -0.06 0.97 -0.21 0.25 -1.65 0.00 0.00 177.43 176.72 1xp6 h LEU 349 N 0.78 -0.53 -0.96 1.61 5.85 -1.12 -2.38 115.31 118.56 1xp6 h LEU 349 Ca 0.15 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1xp6 h LEU 349 Cb 0.50 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1xp6 h LEU 349 CO 0.02 -0.35 0.62 0.00 -0.34 0.00 0.00 178.44 178.39 1xp6 h ALA 350 N 0.05 1.29 -0.21 1.25 0.00 -1.05 -1.11 119.26 119.49 1xp6 h ALA 350 Ca -0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1xp6 h ALA 350 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xp6 h ALA 350 CO 0.05 0.46 -0.25 -0.44 0.00 0.00 0.00 179.25 179.07 1xp6 h ASP 351 N 1.17 0.39 0.39 0.00 3.32 -1.06 -2.24 116.42 118.39 1xp6 h ASP 351 Ca 0.40 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 1xp6 h ASP 351 Cb 0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1xp6 h ASP 351 CO -0.14 0.64 -0.63 0.03 -1.72 0.00 0.00 179.24 177.41 1xp6 h ARG 352 N 0.35 0.23 -0.09 3.56 3.08 -0.80 -2.65 114.38 118.06 1xp6 h ARG 352 Ca 0.05 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1xp6 h ARG 352 Cb 0.63 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1xp6 h ARG 352 CO 0.04 0.78 -0.19 0.93 -1.07 0.00 0.00 179.97 180.47 1xp6 h GLU 353 N 0.16 0.14 -0.44 0.04 5.08 -0.82 -3.10 114.58 115.64 1xp6 h GLU 353 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xp6 h GLU 353 Cb 1.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1xp6 h GLU 353 CO 0.10 0.33 0.20 1.25 -1.00 0.00 0.00 179.01 179.89 1xp6 h LEU 354 N 0.13 0.55 -0.47 1.33 5.85 -1.03 0.22 115.31 121.89 1xp6 h LEU 354 Ca 0.02 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1xp6 h LEU 354 Cb 0.42 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xp6 h LEU 354 CO 0.03 0.48 -0.12 0.58 -0.34 0.00 0.00 178.44 179.07 1xp6 h VAL 355 N 0.62 1.27 -0.11 1.05 2.07 -1.65 -1.99 116.25 117.52 1xp6 h VAL 355 Ca 0.16 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1xp6 h VAL 355 Cb 0.08 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1xp6 h VAL 355 CO -0.02 0.43 -0.26 0.45 0.02 0.00 0.00 177.57 178.20 1xp6 h HIS 356 N 0.76 0.20 -0.86 1.57 3.86 -1.41 -2.67 115.15 116.61 1xp6 h HIS 356 Ca 0.12 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1xp6 h HIS 356 Cb 0.68 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.05 1xp6 h HIS 356 CO 0.05 0.43 0.53 1.98 0.86 0.00 0.00 177.93 181.78 1xp6 h MET 357 N 0.17 1.15 -0.49 2.45 -1.53 0.14 -1.46 114.93 115.36 1xp6 h MET 357 Ca 0.03 -0.10 -0.10 0.00 -3.44 0.00 0.00 59.70 56.09 1xp6 h MET 357 Cb 0.55 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 1xp6 h MET 357 CO 0.04 0.80 -0.10 0.82 0.14 0.00 0.00 176.91 178.61 1xp6 h ILE 358 N 1.18 1.26 -0.16 1.77 2.04 -1.11 0.35 117.51 122.84 1xp6 h ILE 358 Ca 0.31 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1xp6 h ILE 358 Cb -0.07 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1xp6 h ILE 358 CO -0.06 0.42 0.08 0.78 0.00 0.00 0.00 178.15 179.38 1xp6 h ASN 359 N 0.81 0.13 -0.18 1.72 2.35 -1.33 -1.50 115.58 117.58 1xp6 h ASN 359 Ca 0.13 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1xp6 h ASN 359 Cb 0.63 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1xp6 h ASN 359 CO 0.04 0.10 0.05 -0.25 -1.65 0.00 0.00 177.43 175.72 1xp6 h TRP 360 N 0.18 0.08 -0.92 1.19 7.01 -1.06 -2.80 115.95 119.63 1xp6 h TRP 360 Ca 0.06 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.12 1xp6 h TRP 360 Cb 0.01 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.00 1xp6 h TRP 360 CO -0.09 0.03 0.59 0.00 -2.79 0.00 0.00 178.44 176.19 1xp6 h ALA 361 N 1.12 1.24 0.00 2.65 0.00 -0.65 0.18 119.26 123.81 1xp6 h ALA 361 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xp6 h ALA 361 Cb 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xp6 h ALA 361 CO -0.10 0.42 0.00 0.87 0.00 0.00 0.00 179.25 180.44 1xp6 h LYS 362 N 1.12 0.00 -0.01 0.00 1.57 -1.02 -1.66 116.57 116.56 1xp6 h LYS 362 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1xp6 h LYS 362 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1xp6 h LYS 362 CO -0.14 0.00 -0.44 0.54 -0.57 0.00 0.00 179.45 178.84 1xp6 n ARG 363 N -2.70 1.11 -2.27 3.15 1.74 0.59 -4.52 116.66 113.76 1xp6 n ARG 363 Ca -0.00 -0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 55.78 1xp6 n ARG 363 Cb 0.17 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1xp6 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xp6 s VAL 364 N -2.49 3.89 0.03 1.55 1.01 -0.63 -4.82 120.40 118.95 1xp6 s VAL 364 Ca 0.20 1.21 -0.35 0.00 0.00 0.00 0.00 61.98 63.03 1xp6 s VAL 364 Cb 0.18 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.64 1xp6 s VAL 364 CO 0.57 -0.04 1.61 -2.65 0.00 0.00 0.00 175.10 174.59 1xp6 n PRO 365 N 5.83 1.78 0.00 2.72 -0.02 -1.26 -1.67 135.00 142.38 1xp6 n PRO 365 Ca 0.13 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1xp6 n PRO 365 Cb 0.44 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1xp6 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xp6 n GLY 366 N 3.52 2.85 0.06 -1.23 0.00 -1.26 -4.73 105.19 104.41 1xp6 n GLY 366 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1xp6 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xp6 h PHE 367 N 0.00 0.07 0.00 1.61 3.57 -1.59 -2.78 116.94 117.82 1xp6 h PHE 367 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xp6 h PHE 367 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xp6 h PHE 367 CO 0.00 0.31 0.00 1.33 -2.23 0.00 0.00 178.31 177.72 1xp6 n VAL 368 N -4.92 0.00 0.95 1.41 0.24 -1.26 -1.90 118.33 112.85 1xp6 n VAL 368 Ca -0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.36 1xp6 n VAL 368 Cb 0.16 -0.40 0.46 0.00 -1.47 0.00 0.00 33.84 32.59 1xp6 n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xp6 n ASP 369 N -0.85 0.25 -4.81 -1.34 8.00 -1.05 -4.83 116.55 111.93 1xp6 n ASP 369 Ca 0.15 0.24 -0.32 0.00 0.71 0.00 0.00 54.79 55.57 1xp6 n ASP 369 Cb 0.07 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1xp6 n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xp6 s LEU 370 N -3.16 3.31 0.81 0.64 1.43 -0.80 -5.04 118.68 115.87 1xp6 s LEU 370 Ca 0.12 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 1xp6 s LEU 370 Cb 0.18 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.97 1xp6 s LEU 370 CO 0.60 -1.32 1.18 0.42 0.23 0.00 0.00 176.35 177.46 1xp6 s THR 371 N -2.74 2.26 0.16 5.49 -4.23 -1.26 -4.83 115.64 110.49 1xp6 s THR 371 Ca 0.61 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 61.07 1xp6 s THR 371 Cb -0.15 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1xp6 s THR 371 CO 0.46 -0.09 1.77 0.25 -0.54 0.00 0.00 174.62 176.47 1xp6 h LEU 372 N -0.99 0.25 -1.10 4.79 5.85 -1.96 -0.81 115.31 121.34 1xp6 h LEU 372 Ca -0.46 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1xp6 h LEU 372 Cb 1.28 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1xp6 h LEU 372 CO 0.46 0.18 0.61 -0.74 -0.34 0.00 0.00 178.44 178.62 1xp6 h HIS 373 N 0.37 1.07 -0.04 1.25 2.76 -2.00 -1.17 115.15 117.39 1xp6 h HIS 373 Ca 0.17 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.18 1xp6 h HIS 373 Cb 0.10 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 1xp6 h HIS 373 CO -0.11 0.50 -0.79 -0.44 -1.30 0.00 0.00 177.93 175.78 1xp6 h ASP 374 N 1.00 0.42 -0.66 3.26 3.32 -1.79 -1.36 116.42 120.60 1xp6 h ASP 374 Ca 0.44 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1xp6 h ASP 374 Cb 0.35 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1xp6 h ASP 374 CO -0.20 1.05 0.29 1.56 -1.72 0.00 0.00 179.24 180.23 1xp6 h GLN 375 N 0.22 0.97 0.12 3.56 4.20 -0.52 -1.19 115.11 122.47 1xp6 h GLN 375 Ca -0.04 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1xp6 h GLN 375 Cb 1.39 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1xp6 h GLN 375 CO 0.13 0.79 -0.08 0.28 -0.67 0.00 0.00 178.83 179.29 1xp6 h VAL 376 N 0.93 0.83 -0.37 -0.54 2.07 -1.05 -2.14 116.25 115.98 1xp6 h VAL 376 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.82 1xp6 h VAL 376 Cb 0.16 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1xp6 h VAL 376 CO -0.02 0.00 -0.03 -0.74 0.02 0.00 0.00 177.57 176.80 1xp6 h HIS 377 N -0.19 -0.07 -0.47 1.57 -0.00 -1.03 0.15 115.15 115.11 1xp6 h HIS 377 Ca -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1xp6 h HIS 377 Cb 0.17 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 1xp6 h HIS 377 CO -0.09 -0.10 0.28 -0.07 -0.00 0.00 0.00 177.93 177.96 1xp6 h LEU 378 N 0.07 0.56 -0.74 0.26 3.38 -1.12 -1.46 115.31 116.27 1xp6 h LEU 378 Ca 0.18 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1xp6 h LEU 378 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xp6 h LEU 378 CO -0.33 0.45 -0.23 -0.07 0.09 0.00 0.00 178.44 178.35 1xp6 h LEU 379 N 0.62 0.72 -1.23 1.67 3.38 -1.04 -0.92 115.31 118.51 1xp6 h LEU 379 Ca 0.17 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1xp6 h LEU 379 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1xp6 h LEU 379 CO -0.03 0.93 0.02 -0.08 0.09 0.00 0.00 178.44 179.38 1xp6 h GLU 380 N 0.62 0.55 -0.10 1.13 4.81 -0.33 -0.93 114.58 120.33 1xp6 h GLU 380 Ca 0.09 -0.11 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 1xp6 h GLU 380 Cb 0.72 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1xp6 h GLU 380 CO 0.06 0.56 -0.78 0.00 -0.73 0.00 0.00 179.01 178.12 1xp6 n ALA 382 N -2.55 3.17 -0.30 0.00 0.00 -0.37 -4.70 120.51 115.75 1xp6 n ALA 382 Ca -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 52.90 1xp6 n ALA 382 Cb 0.74 -0.50 0.20 0.00 0.00 0.00 0.00 19.45 19.89 1xp6 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xp6 h TRP 383 N 1.35 1.09 0.06 0.00 5.08 -1.37 0.33 115.95 122.50 1xp6 h TRP 383 Ca 0.00 0.03 -0.25 0.00 1.08 0.00 0.00 58.89 59.74 1xp6 h TRP 383 Cb 0.46 -0.37 0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1xp6 h TRP 383 CO 0.00 0.64 -1.09 1.25 -1.28 0.00 0.00 178.44 177.97 1xp6 h LEU 384 N 1.14 0.56 -0.84 0.11 5.85 -1.86 -1.62 115.31 118.65 1xp6 h LEU 384 Ca 0.35 -0.51 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1xp6 h LEU 384 Cb -0.01 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1xp6 h LEU 384 CO -0.10 1.33 0.50 -0.33 -0.34 0.00 0.00 178.44 179.51 1xp6 h GLU 385 N 0.19 0.86 -0.14 1.25 5.08 -1.62 0.39 114.58 120.58 1xp6 h GLU 385 Ca -0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1xp6 h GLU 385 Cb 1.76 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1xp6 h GLU 385 CO 0.19 0.57 0.02 0.82 -1.00 0.00 0.00 179.01 179.60 1xp6 h ILE 386 N 0.88 1.23 -0.77 3.13 2.04 -0.78 0.30 117.51 123.54 1xp6 h ILE 386 Ca 0.38 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.58 1xp6 h ILE 386 Cb 0.26 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1xp6 h ILE 386 CO -0.20 0.22 0.44 -0.07 0.00 0.00 0.00 178.15 178.54 1xp6 h LEU 387 N 0.01 0.66 -0.30 1.44 3.38 -1.11 -2.12 115.31 117.27 1xp6 h LEU 387 Ca 0.04 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1xp6 h LEU 387 Cb 0.32 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xp6 h LEU 387 CO 0.00 0.40 -0.44 0.24 0.09 0.00 0.00 178.44 178.74 1xp6 h MET 388 N 0.79 0.82 -0.26 1.13 2.86 -0.57 -0.74 114.93 118.95 1xp6 h MET 388 Ca 0.35 -0.49 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1xp6 h MET 388 Cb 0.25 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1xp6 h MET 388 CO -0.21 1.12 -0.11 0.97 1.06 0.00 0.00 176.91 179.74 1xp6 h ILE 389 N 0.59 1.22 -0.29 -1.22 2.10 -0.82 -0.24 117.51 118.84 1xp6 h ILE 389 Ca 0.03 -0.95 0.00 0.00 1.08 0.00 0.00 64.86 65.02 1xp6 h ILE 389 Cb 1.04 1.14 -0.02 0.00 -1.09 0.00 0.00 36.82 37.90 1xp6 h ILE 389 CO 0.10 0.31 0.19 1.23 -1.08 0.00 0.00 178.15 178.90 1xp6 h GLY 390 N 0.88 0.41 0.98 8.18 0.00 -1.13 -1.20 103.07 111.19 1xp6 h GLY 390 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1xp6 h GLY 390 CO 0.03 0.14 0.27 -2.00 0.00 0.00 0.00 176.54 174.98 1xp6 h LEU 391 N 0.39 0.73 -0.74 3.11 5.85 -0.48 -1.33 115.31 122.84 1xp6 h LEU 391 Ca 0.11 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1xp6 h LEU 391 Cb -0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1xp6 h LEU 391 CO -0.03 0.65 -0.09 -0.37 -0.34 0.00 0.00 178.44 178.27 1xp6 h VAL 392 N 0.76 1.26 -0.23 1.05 -1.51 -0.96 -1.26 116.25 115.36 1xp6 h VAL 392 Ca 0.19 -1.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1xp6 h VAL 392 Cb 0.11 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1xp6 h VAL 392 CO -0.02 0.41 0.13 -0.25 -1.23 0.00 0.00 177.57 176.60 1xp6 h TRP 393 N 0.79 0.31 0.00 5.19 2.91 -1.01 -2.63 115.95 121.52 1xp6 h TRP 393 Ca 0.13 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1xp6 h TRP 393 Cb 0.60 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1xp6 h TRP 393 CO 0.03 0.27 0.00 0.07 -1.03 0.00 0.00 178.44 177.79 1xp6 h ARG 394 N 0.27 0.00 -0.00 2.65 0.11 -1.09 -2.97 114.38 113.35 1xp6 h ARG 394 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1xp6 h ARG 394 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1xp6 h ARG 394 CO -0.01 0.00 -0.14 0.43 0.10 0.00 0.00 179.97 180.34 1xp6 n SER 395 N -2.46 0.45 -0.34 0.08 7.64 -0.49 -4.46 113.62 114.04 1xp6 n SER 395 Ca 0.04 -0.45 0.03 0.00 1.01 0.00 0.00 58.87 59.50 1xp6 n SER 395 Cb 0.38 -0.08 0.18 0.00 -1.01 0.00 0.00 64.21 63.68 1xp6 n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1xp6 h MET 396 N 0.49 1.01 -0.64 1.43 -1.53 -1.31 -0.35 114.93 114.03 1xp6 h MET 396 Ca 0.00 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 1xp6 h MET 396 Cb 0.39 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.21 1xp6 h MET 396 CO 0.00 0.67 0.00 0.39 0.14 0.00 0.00 176.91 178.11 1xp6 n GLU 397 N -4.58 2.95 -3.22 0.39 1.02 -1.26 -4.40 120.64 111.54 1xp6 n GLU 397 Ca 0.15 -1.87 -0.25 0.00 -0.02 0.00 0.00 57.16 55.17 1xp6 n GLU 397 Cb 0.22 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 1xp6 n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xp6 n HIS 398 N 0.57 1.88 -1.57 -0.32 8.25 -0.14 -5.10 115.22 118.79 1xp6 n HIS 398 Ca 0.17 -3.89 -0.53 0.00 -0.26 0.00 0.00 57.72 53.22 1xp6 n HIS 398 Cb 0.68 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 1xp6 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xp6 n PRO 399 N 0.72 0.91 -0.79 -0.41 -0.02 -1.26 -0.56 135.00 133.60 1xp6 n PRO 399 Ca 0.27 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1xp6 n PRO 399 Cb 0.49 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1xp6 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xp6 n GLY 400 N 2.24 1.22 3.22 -1.23 0.00 -1.26 -5.00 105.19 104.37 1xp6 n GLY 400 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1xp6 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xp6 s LYS 401 N -0.08 0.98 -0.21 1.61 1.02 0.28 -4.13 119.74 119.21 1xp6 s LYS 401 Ca 0.00 -1.38 -0.05 0.00 0.02 0.00 0.00 55.97 54.56 1xp6 s LYS 401 Cb 0.00 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1xp6 s LYS 401 CO 0.00 0.05 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.96 1xp6 s LEU 402 N -3.03 3.12 -1.21 3.17 1.43 0.12 -4.80 118.68 117.46 1xp6 s LEU 402 Ca 0.14 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 1xp6 s LEU 402 Cb 0.02 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.63 1xp6 s LEU 402 CO -0.01 0.02 1.48 -0.11 0.23 0.00 0.00 176.35 177.96 1xp6 n LEU 403 N 4.55 5.46 -0.29 1.79 7.94 -1.26 -1.15 117.00 134.05 1xp6 n LEU 403 Ca -0.17 -4.54 -0.03 0.00 -1.11 0.00 0.00 56.01 50.16 1xp6 n LEU 403 Cb 0.51 -1.59 0.09 0.00 0.53 0.00 0.00 43.42 42.97 1xp6 n LEU 403 CO 0.30 0.87 1.19 -0.26 -1.11 0.00 0.00 177.39 178.39 1xp6 h PHE 404 N 6.88 0.96 -3.43 1.96 0.04 -1.70 -3.43 116.94 118.20 1xp6 h PHE 404 Ca 0.32 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.05 1xp6 h PHE 404 Cb 0.83 -0.32 -0.13 0.00 2.20 0.00 0.00 35.95 38.53 1xp6 h PHE 404 CO 1.10 0.56 -0.12 0.00 -0.60 0.00 0.00 178.31 179.24 1xp6 s ALA 405 N -6.11 -0.82 0.61 2.45 0.00 -1.12 -4.95 121.76 111.81 1xp6 s ALA 405 Ca -0.13 -0.11 0.29 0.00 0.00 0.00 0.00 51.96 52.01 1xp6 s ALA 405 Cb 0.16 0.64 1.55 0.00 0.00 0.00 0.00 23.12 25.47 1xp6 s ALA 405 CO 0.78 -0.61 1.95 -1.35 0.00 0.00 0.00 175.76 176.53 1xp6 h PRO 406 N 2.48 0.00 -0.31 0.00 0.11 -1.87 0.15 132.00 132.56 1xp6 h PRO 406 Ca -0.34 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 1xp6 h PRO 406 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1xp6 h PRO 406 CO 0.48 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 1xp6 n ASN 407 N -3.56 3.46 -3.10 -2.05 6.94 -1.26 -4.73 115.26 110.95 1xp6 n ASN 407 Ca 0.05 -3.26 -0.14 0.00 -0.02 0.00 0.00 54.58 51.20 1xp6 n ASN 407 Cb 0.53 -0.58 -0.04 0.00 -2.36 0.00 0.00 39.78 37.32 1xp6 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1xp6 s LEU 408 N -2.97 -0.24 -0.25 -4.53 2.96 0.53 -4.85 118.68 109.33 1xp6 s LEU 408 Ca 0.43 -2.13 -0.05 0.00 -0.22 0.00 0.00 54.13 52.16 1xp6 s LEU 408 Cb 0.37 0.87 0.00 0.00 0.50 0.00 0.00 46.19 47.93 1xp6 s LEU 408 CO 0.06 -0.13 0.01 -0.22 -1.32 0.00 0.00 176.35 174.75 1xp6 s LEU 409 N 0.73 3.33 -0.02 -0.68 2.96 -1.26 -1.79 118.68 121.95 1xp6 s LEU 409 Ca 0.28 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1xp6 s LEU 409 Cb -0.01 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1xp6 s LEU 409 CO -0.10 -0.10 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.83 1xp6 s LEU 410 N 1.48 2.13 0.54 -0.68 1.43 -0.30 -4.91 118.68 118.37 1xp6 s LEU 410 Ca 0.04 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1xp6 s LEU 410 Cb -0.16 -1.36 0.06 0.00 0.03 0.00 0.00 46.19 44.76 1xp6 s LEU 410 CO -0.01 0.32 0.75 1.51 0.23 0.00 0.00 176.35 179.15 1xp6 s ASP 411 N -0.65 5.19 0.35 2.29 1.47 -1.26 0.11 116.67 124.16 1xp6 s ASP 411 Ca 0.10 -0.54 0.05 0.00 1.18 0.00 0.00 52.55 53.34 1xp6 s ASP 411 Cb -0.10 -0.19 0.65 0.00 -0.34 0.00 0.00 42.92 42.93 1xp6 s ASP 411 CO -0.01 -1.21 1.90 0.08 0.68 0.00 0.00 175.17 176.61 1xp6 h ARG 412 N 0.20 0.50 0.00 2.11 0.11 -1.97 -1.11 114.38 114.22 1xp6 h ARG 412 Ca -0.35 -0.10 -0.04 0.00 0.10 0.00 0.00 59.98 59.58 1xp6 h ARG 412 Cb 1.28 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1xp6 h ARG 412 CO 0.43 0.51 -0.20 -0.91 0.10 0.00 0.00 179.97 179.90 1xp6 h ASN 413 N 0.48 0.00 1.09 0.08 4.21 -1.94 0.52 115.58 120.02 1xp6 h ASN 413 Ca 0.11 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1xp6 h ASN 413 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1xp6 h ASN 413 CO 0.01 0.20 0.00 1.56 -1.29 0.00 0.00 177.43 177.91 1xp6 h GLN 414 N 0.00 0.00 0.00 0.81 4.20 -1.58 -2.90 115.11 115.64 1xp6 h GLN 414 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1xp6 h GLN 414 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1xp6 h GLN 414 CO 0.03 0.00 -0.77 0.78 -0.67 0.00 0.00 178.83 178.19 1xp6 h GLY 415 N 3.07 0.00 1.62 3.46 0.00 -0.78 -3.14 103.07 107.31 1xp6 h GLY 415 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1xp6 h GLY 415 CO 0.00 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.20 1xp6 h LYS 416 N 0.00 0.00 -1.01 4.80 1.57 -1.33 -1.84 116.57 118.76 1xp6 h LYS 416 Ca -0.01 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.07 1xp6 h LYS 416 Cb 1.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.79 1xp6 h LYS 416 CO 0.10 0.00 0.74 0.00 -0.57 0.00 0.00 179.45 179.72 1xp6 s VAL 418 N -4.94 2.24 0.08 0.00 1.01 -0.69 -5.05 120.40 113.05 1xp6 s VAL 418 Ca -0.05 -0.92 -0.35 0.00 0.00 0.00 0.00 61.98 60.66 1xp6 s VAL 418 Cb 0.22 -1.90 -0.14 0.00 0.00 0.00 0.00 36.38 34.55 1xp6 s VAL 418 CO 0.77 0.54 1.57 1.21 0.00 0.00 0.00 175.10 179.20 1xp6 n GLU 419 N 3.97 1.84 -0.87 2.72 2.13 -1.26 -0.13 120.64 129.04 1xp6 n GLU 419 Ca -0.20 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1xp6 n GLU 419 Cb 0.52 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1xp6 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xp6 n GLY 420 N 3.39 0.71 0.13 8.31 0.00 -1.26 -4.90 105.19 111.56 1xp6 n GLY 420 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1xp6 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xp6 h MET 421 N 2.13 0.00 0.00 1.61 4.05 -0.74 -3.33 114.93 118.65 1xp6 h MET 421 Ca 0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1xp6 h MET 421 Cb 0.01 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1xp6 h MET 421 CO 0.00 0.37 -0.25 -0.24 0.23 0.00 0.00 176.91 177.02 1xp6 h VAL 422 N 0.00 1.04 -0.68 -5.77 3.04 -1.72 -1.34 116.25 110.82 1xp6 h VAL 422 Ca -0.06 -0.90 0.04 0.00 -1.01 0.00 0.00 66.70 64.77 1xp6 h VAL 422 Cb 1.41 1.51 -0.05 0.00 -2.01 0.00 0.00 31.29 32.15 1xp6 h VAL 422 CO 0.05 0.25 0.41 -0.33 -1.01 0.00 0.00 177.57 176.94 1xp6 h GLU 423 N 0.00 0.77 -0.15 4.17 3.07 -1.94 0.56 114.58 121.05 1xp6 h GLU 423 Ca -0.00 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 1xp6 h GLU 423 Cb 0.49 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1xp6 h GLU 423 CO 0.03 0.51 -0.12 0.82 -1.40 0.00 0.00 179.01 178.86 1xp6 h ILE 424 N 0.79 1.33 -0.46 3.13 1.08 -1.45 -2.81 117.51 119.13 1xp6 h ILE 424 Ca 0.28 -1.23 0.09 0.00 -0.39 0.00 0.00 64.86 63.61 1xp6 h ILE 424 Cb 0.06 1.81 -0.08 0.00 -3.07 0.00 0.00 36.82 35.55 1xp6 h ILE 424 CO -0.13 0.36 -0.00 -0.26 -0.69 0.00 0.00 178.15 177.43 1xp6 h PHE 425 N -0.00 -0.04 -0.53 1.37 0.05 -1.09 -1.46 116.94 115.25 1xp6 h PHE 425 Ca 0.03 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 1xp6 h PHE 425 Cb 0.63 0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.64 1xp6 h PHE 425 CO 0.08 -0.10 0.26 -0.44 -0.18 0.00 0.00 178.31 177.92 1xp6 h ASP 426 N 0.11 0.67 -0.29 2.17 3.32 -0.85 0.77 116.42 122.31 1xp6 h ASP 426 Ca 0.23 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1xp6 h ASP 426 Cb 0.34 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1xp6 h ASP 426 CO -0.38 0.57 -0.38 0.24 -1.72 0.00 0.00 179.24 177.57 1xp6 h MET 427 N 0.75 0.77 -0.53 3.56 2.86 -1.10 -2.29 114.93 118.94 1xp6 h MET 427 Ca 0.19 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xp6 h MET 427 Cb 0.07 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1xp6 h MET 427 CO -0.03 1.06 0.35 -0.07 1.06 0.00 0.00 176.91 179.29 1xp6 h LEU 428 N 0.52 0.60 -0.64 1.22 3.38 -0.79 -1.41 115.31 118.19 1xp6 h LEU 428 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xp6 h LEU 428 Cb 0.97 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1xp6 h LEU 428 CO 0.09 0.44 0.36 -0.07 0.09 0.00 0.00 178.44 179.35 1xp6 h LEU 429 N 0.71 0.80 -1.00 1.67 3.38 -0.85 -0.56 115.31 119.47 1xp6 h LEU 429 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xp6 h LEU 429 Cb -0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1xp6 h LEU 429 CO -0.04 0.65 0.50 0.00 0.09 0.00 0.00 178.44 179.64 1xp6 h ALA 430 N 1.18 1.24 -0.46 1.53 0.00 -1.16 -0.60 119.26 120.99 1xp6 h ALA 430 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1xp6 h ALA 430 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xp6 h ALA 430 CO -0.04 0.63 -0.08 1.15 0.00 0.00 0.00 179.25 180.91 1xp6 h THR 431 N 1.21 1.27 -0.64 0.00 2.02 -0.51 -0.95 112.91 115.31 1xp6 h THR 431 Ca 0.31 -1.19 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1xp6 h THR 431 Cb -0.02 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1xp6 h THR 431 CO -0.05 0.41 0.39 -1.28 0.37 0.00 0.00 175.52 175.36 1xp6 h SER 432 N 0.71 0.64 -0.80 4.18 0.87 -0.81 -0.40 113.55 117.95 1xp6 h SER 432 Ca 0.12 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1xp6 h SER 432 Cb 0.62 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1xp6 h SER 432 CO 0.04 0.45 0.42 -1.28 -0.53 0.00 0.00 176.83 175.93 1xp6 h SER 433 N 0.77 1.01 -0.65 6.23 0.87 -0.83 -1.54 113.55 119.42 1xp6 h SER 433 Ca 0.26 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1xp6 h SER 433 Cb 0.02 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1xp6 h SER 433 CO -0.10 0.84 0.23 -0.09 -0.53 0.00 0.00 176.83 177.17 1xp6 h ARG 434 N 1.11 0.99 -0.59 2.24 9.65 -0.36 -0.43 114.38 126.99 1xp6 h ARG 434 Ca 0.28 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1xp6 h ARG 434 Cb 0.06 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1xp6 h ARG 434 CO -0.04 0.85 0.35 0.74 2.80 0.00 0.00 179.97 184.67 1xp6 h PHE 435 N 0.92 0.66 -0.85 2.20 0.05 -0.76 -0.66 116.94 118.49 1xp6 h PHE 435 Ca 0.21 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 62.00 1xp6 h PHE 435 Cb 0.26 -0.21 -0.04 0.00 2.00 0.00 0.00 35.95 37.96 1xp6 h PHE 435 CO 0.02 0.37 0.43 -0.09 -0.18 0.00 0.00 178.31 178.85 1xp6 h ARG 436 N 0.69 1.21 -0.12 1.51 2.43 -0.98 -0.84 114.38 118.28 1xp6 h ARG 436 Ca 0.24 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 1xp6 h ARG 436 Cb 0.05 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1xp6 h ARG 436 CO -0.11 0.91 -0.51 1.98 -1.51 0.00 0.00 179.97 180.73 1xp6 h MET 437 N 1.20 0.31 0.00 0.20 4.05 -0.65 -1.54 114.93 118.51 1xp6 h MET 437 Ca 0.29 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1xp6 h MET 437 Cb 0.09 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1xp6 h MET 437 CO -0.04 0.75 0.00 -1.33 0.23 0.00 0.00 176.91 176.52 1xp6 n MET 438 N -3.95 0.12 -3.74 0.39 2.81 -0.29 -4.93 117.12 107.52 1xp6 n MET 438 Ca -0.02 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.63 1xp6 n MET 438 Cb 0.56 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.61 1xp6 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1xp6 n ASN 439 N -1.44 -4.09 -4.68 7.83 5.15 -0.40 -4.90 115.26 112.74 1xp6 n ASN 439 Ca 0.09 -0.72 -0.43 0.00 -0.60 0.00 0.00 54.58 52.92 1xp6 n ASN 439 Cb 0.30 -4.33 -0.01 0.00 -0.53 0.00 0.00 39.78 35.21 1xp6 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xp6 n LEU 440 N -4.62 3.19 -4.82 1.20 7.94 -0.72 -4.97 117.00 114.20 1xp6 n LEU 440 Ca -0.08 1.19 -0.30 0.00 -1.11 0.00 0.00 56.01 55.71 1xp6 n LEU 440 Cb 0.58 -1.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 1xp6 n LEU 440 CO 0.70 -0.61 -0.22 -1.10 -1.11 0.00 0.00 177.39 175.05 1xp6 s GLN 441 N -1.45 3.06 0.31 1.96 -1.52 -1.26 -4.98 119.66 115.77 1xp6 s GLN 441 Ca 0.59 -0.64 0.03 0.00 -1.95 0.00 0.00 55.36 53.39 1xp6 s GLN 441 Cb -0.61 -2.81 0.62 0.00 -0.22 0.00 0.00 33.01 29.99 1xp6 s GLN 441 CO 0.59 0.57 1.86 0.78 -0.25 0.00 0.00 175.29 178.84 1xp6 h GLY 442 N 3.07 1.44 1.15 3.09 0.00 -1.99 -0.25 103.07 109.59 1xp6 h GLY 442 Ca -0.46 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 1xp6 h GLY 442 CO 0.68 0.18 0.10 0.83 0.00 0.00 0.00 176.54 178.34 1xp6 h GLU 443 N 0.93 1.04 -0.27 4.80 3.07 -1.98 -2.41 114.58 119.75 1xp6 h GLU 443 Ca 0.46 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 58.99 1xp6 h GLU 443 Cb 0.47 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1xp6 h GLU 443 CO -0.22 0.95 -0.05 0.93 -1.40 0.00 0.00 179.01 179.22 1xp6 h GLU 444 N 0.97 0.51 -0.61 2.33 5.08 -1.66 -3.08 114.58 118.12 1xp6 h GLU 444 Ca 0.20 -0.19 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1xp6 h GLU 444 Cb 0.42 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1xp6 h GLU 444 CO 0.01 0.71 0.22 0.35 -1.00 0.00 0.00 179.01 179.30 1xp6 h PHE 445 N 0.27 0.37 0.00 4.33 3.57 -0.95 -0.67 116.94 123.87 1xp6 h PHE 445 Ca 0.07 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 1xp6 h PHE 445 Cb 0.51 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1xp6 h PHE 445 CO 0.05 0.08 -0.61 -0.39 -2.23 0.00 0.00 178.31 175.20 1xp6 h VAL 446 N 0.39 1.39 -0.01 1.41 -1.51 -1.45 -0.64 116.25 115.83 1xp6 h VAL 446 Ca 0.31 -2.13 -0.00 0.00 -1.23 0.00 0.00 66.70 63.65 1xp6 h VAL 446 Cb 0.40 2.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1xp6 h VAL 446 CO -0.32 0.60 0.01 0.00 -1.23 0.00 0.00 177.57 176.62 1xp6 h LEU 448 N -0.06 0.82 -0.64 0.00 3.38 -0.71 -1.36 115.31 116.73 1xp6 h LEU 448 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1xp6 h LEU 448 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xp6 h LEU 448 CO -0.00 0.52 -0.18 0.50 0.09 0.00 0.00 178.44 179.37 1xp6 h LYS 449 N 0.96 0.87 -0.45 1.13 3.64 -1.02 -1.64 116.57 120.05 1xp6 h LYS 449 Ca 0.38 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1xp6 h LYS 449 Cb 0.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1xp6 h LYS 449 CO -0.18 0.98 -0.02 0.77 -2.27 0.00 0.00 179.45 178.73 1xp6 h SER 450 N 0.76 0.73 -0.55 4.20 0.02 -0.99 -2.25 113.55 115.47 1xp6 h SER 450 Ca 0.11 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1xp6 h SER 450 Cb 0.72 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1xp6 h SER 450 CO 0.06 0.81 0.34 0.40 -1.14 0.00 0.00 176.83 177.30 1xp6 h ILE 451 N 0.71 1.16 -0.17 3.27 2.04 -0.91 -1.95 117.51 121.64 1xp6 h ILE 451 Ca 0.14 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1xp6 h ILE 451 Cb 0.46 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1xp6 h ILE 451 CO 0.02 0.16 -0.14 0.40 0.00 0.00 0.00 178.15 178.59 1xp6 h ILE 452 N 0.74 0.61 -0.46 -0.67 2.04 -1.07 0.31 117.51 119.01 1xp6 h ILE 452 Ca 0.20 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.14 1xp6 h ILE 452 Cb -0.04 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1xp6 h ILE 452 CO -0.04 0.00 0.01 0.25 0.00 0.00 0.00 178.15 178.37 1xp6 h LEU 453 N -0.14 -0.16 0.02 1.44 5.85 -1.07 -1.60 115.31 119.64 1xp6 h LEU 453 Ca 0.11 0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.70 1xp6 h LEU 453 Cb 0.30 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1xp6 h LEU 453 CO -0.26 -0.05 -1.11 -0.07 -0.34 0.00 0.00 178.44 176.61 1xp6 h LEU 454 N 0.13 0.06 0.13 2.25 3.38 -0.90 -3.38 115.31 116.98 1xp6 h LEU 454 Ca 0.23 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.79 1xp6 h LEU 454 Cb 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xp6 h LEU 454 CO -0.37 1.06 -1.77 -1.13 0.09 0.00 0.00 178.44 176.31 1xp6 h ASN 455 N 0.01 0.44 0.38 -0.43 -1.24 -0.22 -3.37 115.58 111.14 1xp6 h ASN 455 Ca -0.06 -0.75 -0.06 0.00 0.71 0.00 0.00 56.30 56.14 1xp6 h ASN 455 Cb 1.82 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.72 1xp6 h ASN 455 CO 0.13 1.65 -0.31 0.28 -1.29 0.00 0.00 177.43 177.90 1xp6 h SER 456 N 0.08 0.00 -0.27 1.15 0.02 -1.47 -2.70 113.55 110.35 1xp6 h SER 456 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1xp6 h SER 456 Cb 2.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.59 1xp6 h SER 456 CO 0.14 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.74 1xp6 n GLY 457 N -0.53 1.57 0.11 -3.77 0.00 -1.26 -4.65 105.19 96.66 1xp6 n GLY 457 Ca -0.02 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1xp6 n GLY 457 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xp6 n VAL 458 N 0.81 0.70 0.59 1.61 3.14 -1.02 -2.43 118.33 121.73 1xp6 n VAL 458 Ca 0.12 -0.01 0.12 0.00 -2.96 0.00 0.00 64.34 61.61 1xp6 n VAL 458 Cb 0.43 -0.87 0.09 0.00 -1.06 0.00 0.00 33.84 32.42 1xp6 n VAL 458 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1xp6 n TYR 459 N -2.20 0.35 -0.90 1.45 4.02 -1.26 -4.38 117.16 114.24 1xp6 n TYR 459 Ca 0.04 0.10 0.08 0.00 -0.01 0.00 0.00 57.90 58.11 1xp6 n TYR 459 Cb 0.32 -0.50 0.25 0.00 -0.02 0.00 0.00 39.34 39.39 1xp6 n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1xp6 n THR 460 N -1.99 2.13 -2.14 -0.72 -2.24 -1.02 -4.98 114.28 103.33 1xp6 n THR 460 Ca 0.03 -1.78 -0.41 0.00 -2.27 0.00 0.00 64.05 59.62 1xp6 n THR 460 Cb 0.43 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1xp6 n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xp6 s PHE 461 N -2.61 3.09 0.00 4.78 0.40 -1.24 -4.92 117.98 117.48 1xp6 s PHE 461 Ca 0.40 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 58.12 1xp6 s PHE 461 Cb 0.31 -3.66 0.00 0.00 0.51 0.00 0.00 43.02 40.18 1xp6 s PHE 461 CO 0.10 -1.83 0.64 1.28 0.70 0.00 0.00 175.22 176.10 1xp6 n LEU 462 N 1.02 0.00 -4.19 -0.37 4.77 -1.26 -4.90 117.00 112.07 1xp6 n LEU 462 Ca 0.01 0.64 -0.26 0.00 -0.03 0.00 0.00 56.01 56.36 1xp6 n LEU 462 Cb 0.42 -0.14 0.23 0.00 -2.33 0.00 0.00 43.42 41.60 1xp6 n LEU 462 CO 0.59 -0.14 0.15 -0.24 -1.33 0.00 0.00 177.39 176.42 1xp6 n SER 463 N -1.25 -3.24 -2.39 -1.43 2.88 -1.26 -5.04 113.62 101.89 1xp6 n SER 463 Ca 0.00 -0.52 -0.03 0.00 -1.33 0.00 0.00 58.87 56.99 1xp6 n SER 463 Cb 0.00 -0.95 0.09 0.00 -0.75 0.00 0.00 64.21 62.59 1xp6 n SER 463 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xp6 n SER 464 N -3.67 -1.08 -4.37 -3.46 7.64 -1.26 -4.94 113.62 102.47 1xp6 n SER 464 Ca 0.08 -2.16 -0.29 0.00 1.01 0.00 0.00 58.87 57.50 1xp6 n SER 464 Cb 0.51 0.51 0.24 0.00 -1.01 0.00 0.00 64.21 64.46 1xp6 n SER 464 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xp6 n THR 465 N -1.18 0.00 0.02 0.44 -2.24 -1.26 -4.63 114.28 105.43 1xp6 n THR 465 Ca -0.17 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 1xp6 n THR 465 Cb 0.85 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1xp6 n THR 465 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xp6 h LEU 466 N -2.60 -0.14 -0.60 3.22 5.85 -2.00 0.12 115.31 119.15 1xp6 h LEU 466 Ca -0.60 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.23 1xp6 h LEU 466 Cb 1.34 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.38 1xp6 h LEU 466 CO 0.46 -0.07 0.26 0.50 -0.34 0.00 0.00 178.44 179.26 1xp6 h LYS 467 N -0.06 0.46 -0.82 1.25 3.64 -1.99 0.13 116.57 119.18 1xp6 h LYS 467 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xp6 h LYS 467 Cb 0.11 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1xp6 h LYS 467 CO -0.09 0.31 0.52 1.03 -2.27 0.00 0.00 179.45 178.95 1xp6 h SER 468 N 0.48 0.96 -0.48 4.20 0.87 -1.74 -0.10 113.55 117.74 1xp6 h SER 468 Ca 0.29 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 1xp6 h SER 468 Cb 0.31 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1xp6 h SER 468 CO -0.26 0.72 0.07 -0.07 -0.53 0.00 0.00 176.83 176.76 1xp6 h LEU 469 N 1.12 0.77 -0.75 2.23 3.38 0.28 -1.84 115.31 120.50 1xp6 h LEU 469 Ca 0.30 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xp6 h LEU 469 Cb -0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1xp6 h LEU 469 CO -0.06 0.84 0.49 -0.33 0.09 0.00 0.00 178.44 179.47 1xp6 h GLU 470 N 0.67 0.96 -0.05 1.13 5.08 -0.56 -1.44 114.58 120.36 1xp6 h GLU 470 Ca 0.14 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1xp6 h GLU 470 Cb 0.40 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xp6 h GLU 470 CO 0.01 0.63 -0.03 0.93 -1.00 0.00 0.00 179.01 179.55 1xp6 h GLU 471 N 0.99 -0.03 -0.86 2.33 4.39 -0.82 -0.69 114.58 119.88 1xp6 h GLU 471 Ca 0.28 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.01 1xp6 h GLU 471 Cb -0.07 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 1xp6 h GLU 471 CO -0.08 -0.02 0.56 0.87 -1.16 0.00 0.00 179.01 179.19 1xp6 h LYS 472 N -0.03 1.09 -0.37 2.33 1.57 -1.13 -0.56 116.57 119.48 1xp6 h LYS 472 Ca 0.03 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1xp6 h LYS 472 Cb 0.08 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1xp6 h LYS 472 CO -0.07 0.72 0.19 0.22 -0.57 0.00 0.00 179.45 179.94 1xp6 h ASP 473 N 1.12 0.28 -0.51 0.86 3.58 -0.89 -1.18 116.42 119.68 1xp6 h ASP 473 Ca 0.33 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1xp6 h ASP 473 Cb -0.07 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1xp6 h ASP 473 CO -0.09 0.21 0.32 -0.74 -2.88 0.00 0.00 179.24 176.05 1xp6 h HIS 474 N 0.38 0.67 -0.55 0.28 2.76 -0.51 -0.72 115.15 117.46 1xp6 h HIS 474 Ca 0.15 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1xp6 h HIS 474 Cb 0.06 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.76 1xp6 h HIS 474 CO -0.10 0.46 0.33 0.82 -1.30 0.00 0.00 177.93 178.14 1xp6 h ILE 475 N 0.69 1.06 -0.26 6.26 2.04 -0.86 0.23 117.51 126.66 1xp6 h ILE 475 Ca 0.18 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1xp6 h ILE 475 Cb -0.02 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1xp6 h ILE 475 CO -0.04 0.12 -0.20 0.45 0.00 0.00 0.00 178.15 178.48 1xp6 h HIS 476 N 0.65 0.51 -0.51 1.37 3.86 -0.88 0.42 115.15 120.57 1xp6 h HIS 476 Ca 0.22 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1xp6 h HIS 476 Cb 0.03 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1xp6 h HIS 476 CO -0.06 0.64 0.12 0.00 0.86 0.00 0.00 177.93 179.49 1xp6 h ARG 477 N 0.42 0.82 -0.51 2.45 3.08 -0.42 -0.86 114.38 119.36 1xp6 h ARG 477 Ca 0.07 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1xp6 h ARG 477 Cb 0.59 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1xp6 h ARG 477 CO 0.04 0.79 -0.15 0.28 -1.07 0.00 0.00 179.97 179.85 1xp6 h VAL 478 N 0.70 1.27 -0.88 2.04 2.07 0.39 -2.51 116.25 119.33 1xp6 h VAL 478 Ca 0.16 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.40 1xp6 h VAL 478 Cb 0.34 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1xp6 h VAL 478 CO 0.00 0.46 0.58 -0.07 0.02 0.00 0.00 177.57 178.56 1xp6 h LEU 479 N 0.88 0.94 -0.83 2.57 3.38 -0.71 -1.10 115.31 120.43 1xp6 h LEU 479 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xp6 h LEU 479 Cb 0.72 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1xp6 h LEU 479 CO 0.06 0.64 0.52 0.44 0.09 0.00 0.00 178.44 180.19 1xp6 h ASP 480 N 1.09 0.98 -0.15 -0.43 3.32 -0.86 0.11 116.42 120.48 1xp6 h ASP 480 Ca 0.35 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.23 1xp6 h ASP 480 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1xp6 h ASP 480 CO -0.11 0.74 -0.29 0.50 -1.72 0.00 0.00 179.24 178.36 1xp6 h LYS 481 N 1.13 0.63 -0.39 3.56 1.63 -0.82 -0.29 116.57 122.03 1xp6 h LYS 481 Ca 0.30 -0.27 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 1xp6 h LYS 481 Cb -0.08 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1xp6 h LYS 481 CO -0.06 0.85 -0.14 0.82 -3.45 0.00 0.00 179.45 177.47 1xp6 h ILE 482 N 0.54 1.26 0.11 2.00 2.04 -0.78 0.50 117.51 123.18 1xp6 h ILE 482 Ca 0.07 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1xp6 h ILE 482 Cb 0.78 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1xp6 h ILE 482 CO 0.06 0.40 -0.05 0.74 0.00 0.00 0.00 178.15 179.30 1xp6 h THR 483 N 0.64 0.89 -0.89 -0.27 2.02 -0.44 -1.26 112.91 113.61 1xp6 h THR 483 Ca 0.11 -0.03 0.19 0.00 0.77 0.00 0.00 66.41 67.45 1xp6 h THR 483 Cb 0.60 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 1xp6 h THR 483 CO 0.04 0.01 0.58 0.44 0.37 0.00 0.00 175.52 176.96 1xp6 h ASP 484 N -0.16 0.46 -0.24 4.18 3.32 -0.60 -2.18 116.42 121.20 1xp6 h ASP 484 Ca -0.02 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1xp6 h ASP 484 Cb 0.13 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1xp6 h ASP 484 CO 0.03 0.20 -0.12 0.74 -1.72 0.00 0.00 179.24 178.36 1xp6 h THR 485 N 0.47 1.30 -0.61 0.35 2.02 0.01 -1.82 112.91 114.63 1xp6 h THR 485 Ca 0.46 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1xp6 h THR 485 Cb 1.05 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1xp6 h THR 485 CO -0.19 0.37 0.40 -0.07 0.37 0.00 0.00 175.52 176.41 1xp6 h LEU 486 N 0.21 0.69 -0.88 2.58 3.38 -0.70 0.91 115.31 121.50 1xp6 h LEU 486 Ca 0.05 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1xp6 h LEU 486 Cb 0.63 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xp6 h LEU 486 CO 0.04 0.49 -0.23 0.40 0.09 0.00 0.00 178.44 179.24 1xp6 h ILE 487 N 0.81 1.26 -0.42 1.22 1.08 -1.41 -1.23 117.51 118.83 1xp6 h ILE 487 Ca 0.23 -1.26 -0.02 0.00 -0.39 0.00 0.00 64.86 63.41 1xp6 h ILE 487 Cb -0.08 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1xp6 h ILE 487 CO -0.06 0.41 0.18 -0.74 -0.69 0.00 0.00 178.15 177.25 1xp6 h HIS 488 N 0.51 0.63 -0.53 1.37 -0.00 -0.67 0.84 115.15 117.29 1xp6 h HIS 488 Ca 0.08 -0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 1xp6 h HIS 488 Cb 0.67 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.84 1xp6 h HIS 488 CO 0.03 0.54 0.24 -0.07 -0.00 0.00 0.00 177.93 178.67 1xp6 h LEU 489 N 0.53 0.32 -0.44 0.26 3.38 -0.63 0.65 115.31 119.37 1xp6 h LEU 489 Ca 0.14 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1xp6 h LEU 489 Cb 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xp6 h LEU 489 CO -0.01 0.21 -0.64 0.24 0.09 0.00 0.00 178.44 178.33 1xp6 h MET 490 N 0.47 0.52 -0.29 1.13 2.86 -0.63 -2.32 114.93 116.66 1xp6 h MET 490 Ca 0.25 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1xp6 h MET 490 Cb 0.21 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1xp6 h MET 490 CO -0.20 0.99 -0.11 0.00 1.06 0.00 0.00 176.91 178.65 1xp6 h ALA 491 N 0.92 0.41 -0.26 6.32 0.00 -0.62 -2.32 119.26 123.72 1xp6 h ALA 491 Ca -0.01 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xp6 h ALA 491 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1xp6 h ALA 491 CO 0.12 0.27 0.25 -0.22 0.00 0.00 0.00 179.25 179.66 1xp6 h LYS 492 N 0.35 0.00 -0.00 0.00 3.64 -0.71 0.26 116.57 120.11 1xp6 h LYS 492 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xp6 h LYS 492 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1xp6 h LYS 492 CO 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 179.45 177.15 1xp6 n ALA 493 N -2.41 2.62 -0.93 5.00 0.00 -0.89 -4.93 120.51 118.97 1xp6 n ALA 493 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xp6 n ALA 493 Cb 0.39 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1xp6 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xp6 n GLY 494 N 1.34 0.45 3.76 0.00 0.00 0.92 -5.05 105.19 106.61 1xp6 n GLY 494 Ca 0.12 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1xp6 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xp6 s LEU 495 N 0.00 3.81 0.95 0.99 1.43 -1.08 -5.02 118.68 119.76 1xp6 s LEU 495 Ca 0.00 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 1xp6 s LEU 495 Cb 0.00 -4.46 0.16 0.00 0.03 0.00 0.00 46.19 41.92 1xp6 s LEU 495 CO 0.00 -1.28 1.09 0.42 0.23 0.00 0.00 176.35 176.82 1xp6 s THR 496 N -1.61 2.37 0.20 5.49 -4.23 -1.26 -4.71 115.64 111.90 1xp6 s THR 496 Ca 0.71 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.22 1xp6 s THR 496 Cb -0.29 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.13 1xp6 s THR 496 CO 0.33 -0.16 1.66 0.25 -0.54 0.00 0.00 174.62 176.17 1xp6 h LEU 497 N -1.73 -0.31 -0.64 4.79 5.85 -1.99 0.11 115.31 121.40 1xp6 h LEU 497 Ca -0.52 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1xp6 h LEU 497 Cb 1.31 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 1xp6 h LEU 497 CO 0.56 -0.12 0.39 -0.61 -0.34 0.00 0.00 178.44 178.32 1xp6 h GLN 498 N 0.09 0.86 0.00 1.25 4.15 -2.01 -2.20 115.11 117.25 1xp6 h GLN 498 Ca 0.29 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.56 1xp6 h GLN 498 Cb 0.45 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1xp6 h GLN 498 CO -0.50 0.61 -0.33 1.96 -1.93 0.00 0.00 178.83 178.64 1xp6 h GLN 499 N 0.86 0.00 0.18 1.69 4.20 -1.62 -2.13 115.11 118.29 1xp6 h GLN 499 Ca 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1xp6 h GLN 499 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1xp6 h GLN 499 CO -0.04 0.33 -0.09 1.96 -0.67 0.00 0.00 178.83 180.32 1xp6 h GLN 500 N 0.00 -0.23 -0.13 1.46 4.20 -0.20 0.21 115.11 120.42 1xp6 h GLN 500 Ca -0.00 0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.55 1xp6 h GLN 500 Cb 0.60 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1xp6 h GLN 500 CO 0.04 -0.10 -0.66 1.12 -0.67 0.00 0.00 178.83 178.56 1xp6 h HIS 501 N -0.31 0.65 -0.48 2.96 2.07 -1.35 0.11 115.15 118.80 1xp6 h HIS 501 Ca -0.02 -0.26 0.01 0.00 -2.85 0.00 0.00 60.37 57.24 1xp6 h HIS 501 Cb 0.24 -0.11 -0.03 0.00 2.57 0.00 0.00 27.41 30.08 1xp6 h HIS 501 CO -0.05 1.02 0.31 1.96 -3.07 0.00 0.00 177.93 178.10 1xp6 h GLN 502 N 0.36 0.60 -0.36 5.12 4.20 -1.33 -1.28 115.11 122.42 1xp6 h GLN 502 Ca -0.02 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1xp6 h GLN 502 Cb 1.23 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1xp6 h GLN 502 CO 0.12 0.40 -0.37 -0.09 -0.67 0.00 0.00 178.83 178.22 1xp6 h ARG 503 N 0.62 0.85 -0.51 1.46 2.43 -0.03 -0.75 114.38 118.45 1xp6 h ARG 503 Ca 0.18 -0.43 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1xp6 h ARG 503 Cb -0.04 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1xp6 h ARG 503 CO -0.06 1.07 0.26 1.25 -1.51 0.00 0.00 179.97 180.98 1xp6 h LEU 504 N 0.70 0.37 -0.47 3.80 5.85 -0.65 -0.47 115.31 124.44 1xp6 h LEU 504 Ca 0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1xp6 h LEU 504 Cb 0.94 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1xp6 h LEU 504 CO 0.09 0.25 0.17 0.00 -0.34 0.00 0.00 178.44 178.61 1xp6 h ALA 505 N 1.28 0.61 -0.49 1.25 0.00 -0.88 -0.70 119.26 120.32 1xp6 h ALA 505 Ca 0.23 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1xp6 h ALA 505 Cb 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1xp6 h ALA 505 CO -0.16 0.24 0.22 1.96 0.00 0.00 0.00 179.25 181.51 1xp6 h GLN 506 N 0.62 0.42 -0.31 0.00 4.20 -0.70 -0.52 115.11 118.82 1xp6 h GLN 506 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1xp6 h GLN 506 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1xp6 h GLN 506 CO -0.01 0.28 0.15 -0.07 -0.67 0.00 0.00 178.83 178.51 1xp6 h LEU 507 N 0.43 0.41 -0.95 1.46 3.38 -0.83 -2.70 115.31 116.50 1xp6 h LEU 507 Ca 0.23 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1xp6 h LEU 507 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xp6 h LEU 507 CO -0.19 0.42 -0.44 -0.07 0.09 0.00 0.00 178.44 178.25 1xp6 h LEU 508 N 0.37 0.19 -0.96 1.67 3.38 -0.82 -2.74 115.31 116.41 1xp6 h LEU 508 Ca 0.11 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1xp6 h LEU 508 Cb 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xp6 h LEU 508 CO -0.01 0.61 -0.52 -0.07 0.09 0.00 0.00 178.44 178.54 1xp6 h LEU 509 N 0.15 0.00 -1.90 1.67 3.38 -0.98 -2.07 115.31 115.57 1xp6 h LEU 509 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xp6 h LEU 509 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1xp6 h LEU 509 CO 0.07 0.52 0.11 0.40 0.09 0.00 0.00 178.44 179.63 1xp6 h ILE 510 N 0.00 0.99 0.00 1.22 2.04 -1.16 -1.58 117.51 119.02 1xp6 h ILE 510 Ca -0.01 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1xp6 h ILE 510 Cb 0.92 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1xp6 h ILE 510 CO 0.07 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 178.07 1xp6 h LEU 511 N 0.14 0.00 -0.80 1.44 3.38 -1.37 -0.27 115.31 117.84 1xp6 h LEU 511 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1xp6 h LEU 511 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xp6 h LEU 511 CO -0.01 0.10 -0.09 -1.28 0.09 0.00 0.00 178.44 177.25 1xp6 h SER 512 N 0.00 0.80 -0.26 -0.43 0.87 -1.34 -1.47 113.55 111.71 1xp6 h SER 512 Ca -0.00 -0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 1xp6 h SER 512 Cb 0.19 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1xp6 h SER 512 CO 0.01 0.92 -0.29 0.45 -0.53 0.00 0.00 176.83 177.39 1xp6 h HIS 513 N 0.74 0.89 -0.41 2.24 3.86 -1.09 -1.98 115.15 119.39 1xp6 h HIS 513 Ca 0.13 -0.22 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1xp6 h HIS 513 Cb 0.57 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1xp6 h HIS 513 CO 0.03 0.96 -0.23 0.82 0.86 0.00 0.00 177.93 180.38 1xp6 h ILE 514 N 0.66 1.27 -0.49 2.45 2.04 -1.07 -0.03 117.51 122.34 1xp6 h ILE 514 Ca 0.08 -1.35 0.06 0.00 1.00 0.00 0.00 64.86 64.64 1xp6 h ILE 514 Cb 0.81 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1xp6 h ILE 514 CO 0.07 0.46 0.20 -0.09 0.00 0.00 0.00 178.15 178.79 1xp6 h ARG 515 N 0.72 0.39 -0.29 2.37 9.65 -1.14 -0.44 114.38 125.64 1xp6 h ARG 515 Ca 0.10 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.00 1xp6 h ARG 515 Cb 0.75 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 1xp6 h ARG 515 CO 0.06 0.26 -0.00 1.25 2.80 0.00 0.00 179.97 184.33 1xp6 h HIS 516 N 0.40 -0.02 -0.65 2.20 2.76 -0.69 0.11 115.15 119.26 1xp6 h HIS 516 Ca 0.23 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 1xp6 h HIS 516 Cb 0.21 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1xp6 h HIS 516 CO -0.14 -0.05 0.12 0.52 -1.30 0.00 0.00 177.93 177.08 1xp6 h MET 517 N 0.08 1.06 -0.23 5.26 2.86 -0.62 -1.21 114.93 122.13 1xp6 h MET 517 Ca 0.14 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1xp6 h MET 517 Cb 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1xp6 h MET 517 CO -0.24 0.98 0.14 1.03 1.06 0.00 0.00 176.91 179.88 1xp6 h SER 518 N 0.98 0.22 -0.52 1.22 0.87 -0.67 0.17 113.55 115.83 1xp6 h SER 518 Ca 0.20 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1xp6 h SER 518 Cb 0.42 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1xp6 h SER 518 CO 0.01 0.16 0.34 0.78 -0.53 0.00 0.00 176.83 177.59 1xp6 h ASN 519 N 0.28 0.58 -0.11 6.23 2.35 -0.63 0.47 115.58 124.74 1xp6 h ASN 519 Ca 0.09 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 1xp6 h ASN 519 Cb -0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1xp6 h ASN 519 CO -0.04 0.42 -0.36 0.11 -1.65 0.00 0.00 177.43 175.91 1xp6 h LYS 520 N 0.69 0.62 -0.23 0.81 1.79 -1.11 -1.90 116.57 117.25 1xp6 h LYS 520 Ca 0.20 -0.30 -0.15 0.00 -2.18 0.00 0.00 60.65 58.22 1xp6 h LYS 520 Cb -0.06 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1xp6 h LYS 520 CO -0.05 0.89 -0.48 0.78 -1.08 0.00 0.00 179.45 179.50 1xp6 h GLY 521 N 1.01 0.68 1.17 3.86 0.00 -0.13 0.06 103.07 109.72 1xp6 h GLY 521 Ca 0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 1xp6 h GLY 521 CO 0.07 0.66 0.27 -0.33 0.00 0.00 0.00 176.54 177.21 1xp6 h MET 522 N 0.49 1.05 -0.68 4.80 2.86 0.20 0.38 114.93 124.03 1xp6 h MET 522 Ca 0.03 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1xp6 h MET 522 Cb 1.02 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1xp6 h MET 522 CO 0.10 0.86 0.38 0.93 1.06 0.00 0.00 176.91 180.24 1xp6 h GLU 523 N 1.02 0.94 -0.20 1.72 5.08 -1.14 -1.26 114.58 120.75 1xp6 h GLU 523 Ca 0.24 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1xp6 h GLU 523 Cb 0.22 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xp6 h GLU 523 CO -0.02 0.70 -0.19 1.25 -1.00 0.00 0.00 179.01 179.76 1xp6 h HIS 524 N 0.93 0.58 -0.71 4.33 2.76 -0.37 -2.96 115.15 119.70 1xp6 h HIS 524 Ca 0.24 -0.17 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1xp6 h HIS 524 Cb 0.03 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 1xp6 h HIS 524 CO -0.01 0.83 0.47 -0.07 -1.30 0.00 0.00 177.93 177.85 1xp6 h LEU 525 N 0.16 0.69 -4.52 0.26 3.38 -0.14 -3.09 115.31 112.04 1xp6 h LEU 525 Ca 0.03 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 1xp6 h LEU 525 Cb 0.73 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xp6 h LEU 525 CO 0.05 0.46 1.16 -1.22 0.09 0.00 0.00 178.44 178.97 1xp6 n TYR 526 N -4.47 0.79 -0.53 1.13 0.53 -0.49 -1.86 117.16 112.26 1xp6 n TYR 526 Ca 0.10 -1.84 0.00 0.00 -1.02 0.00 0.00 57.90 55.13 1xp6 n TYR 526 Cb 0.18 -1.74 0.00 0.00 -1.03 0.00 0.00 39.34 36.75 1xp6 n TYR 526 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1xp6 n SER 527 N 3.03 0.00 -2.83 7.72 3.41 -1.17 -5.01 113.62 118.77 1xp6 n SER 527 Ca 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 59.04 1xp6 n SER 527 Cb 0.57 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 1xp6 n SER 527 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1xp6 n MET 528 N 0.00 0.83 0.01 4.33 2.81 -0.78 -5.07 117.12 119.25 1xp6 n MET 528 Ca 0.00 -0.89 -0.19 0.00 -1.81 0.00 0.00 57.70 54.82 1xp6 n MET 528 Cb 0.00 -0.08 -0.14 0.00 -0.71 0.00 0.00 33.22 32.29 1xp6 n MET 528 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1xp6 h LYS 529 N 0.00 0.22 0.00 0.03 -0.00 -1.98 -3.45 116.57 111.39 1xp6 h LYS 529 Ca -0.08 -0.38 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1xp6 h LYS 529 Cb 0.36 0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.73 1xp6 h LYS 529 CO 0.11 1.07 0.00 0.00 -0.00 0.00 0.00 179.45 180.63 1xp6 n LYS 531 N 0.00 0.00 -0.07 0.00 0.00 -1.26 -5.01 118.16 111.81 1xp6 n LYS 531 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1xp6 n LYS 531 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1xp6 n LYS 531 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1xp6 n ASN 532 N 0.00 0.00 -4.77 3.14 4.05 -1.26 -5.10 115.26 111.33 1xp6 n ASN 532 Ca 0.00 -1.11 -0.39 0.00 0.45 0.00 0.00 54.58 53.54 1xp6 n ASN 532 Cb 0.00 -0.02 -0.05 0.00 1.23 0.00 0.00 39.78 40.94 1xp6 n ASN 532 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xp6 s VAL 533 N 0.00 3.76 0.28 3.44 1.01 -1.26 -4.70 120.40 122.92 1xp6 s VAL 533 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1xp6 s VAL 533 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1xp6 s VAL 533 CO 0.00 0.23 0.00 0.52 0.00 0.00 0.00 175.10 175.85 1xp6 n VAL 534 N 0.73 -3.91 -1.89 2.92 0.31 -1.26 -4.79 118.33 110.44 1xp6 n VAL 534 Ca 0.01 1.81 -0.40 0.00 -0.01 0.00 0.00 64.34 65.75 1xp6 n VAL 534 Cb 0.47 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1xp6 n VAL 534 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1xp6 s PRO 535 N -1.89 3.93 0.29 5.55 0.02 -1.26 -4.86 135.00 136.78 1xp6 s PRO 535 Ca 0.00 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.42 1xp6 s PRO 535 Cb 0.00 -2.80 0.54 0.00 0.02 0.00 0.00 34.50 32.26 1xp6 s PRO 535 CO 0.00 -0.61 1.87 1.25 -0.33 0.00 0.00 177.00 179.18 1xp6 h LEU 536 N 2.69 0.92 -0.07 -5.54 5.85 -1.93 -2.42 115.31 114.81 1xp6 h LEU 536 Ca -0.50 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1xp6 h LEU 536 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1xp6 h LEU 536 CO 0.63 0.54 -0.07 0.22 -0.34 0.00 0.00 178.44 179.42 1xp6 h TYR 537 N 1.01 -0.16 -0.93 1.25 5.03 -1.96 -0.37 116.97 120.85 1xp6 h TYR 537 Ca 0.45 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.85 1xp6 h TYR 537 Cb 0.37 0.08 -0.07 0.00 1.55 0.00 0.00 36.73 38.66 1xp6 h TYR 537 CO -0.00 -0.11 0.58 -0.44 -1.32 0.00 0.00 178.16 176.88 1xp6 h ASP 538 N -0.08 0.90 -0.22 -2.11 3.32 -1.83 0.17 116.42 116.58 1xp6 h ASP 538 Ca 0.05 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1xp6 h ASP 538 Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1xp6 h ASP 538 CO -0.12 0.55 -0.40 0.25 -1.72 0.00 0.00 179.24 177.79 1xp6 h LEU 539 N 1.02 0.81 -0.58 1.55 5.85 -0.92 -2.02 115.31 121.03 1xp6 h LEU 539 Ca 0.42 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1xp6 h LEU 539 Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1xp6 h LEU 539 CO -0.20 1.11 0.11 -0.07 -0.34 0.00 0.00 178.44 179.06 1xp6 h LEU 540 N 0.62 0.90 -0.62 2.25 3.38 -0.67 -2.77 115.31 118.40 1xp6 h LEU 540 Ca 0.05 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xp6 h LEU 540 Cb 0.96 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1xp6 h LEU 540 CO 0.09 0.92 0.41 0.25 0.09 0.00 0.00 178.44 180.20 1xp6 h LEU 541 N 0.84 0.72 -0.16 1.67 5.85 -0.30 0.64 115.31 124.57 1xp6 h LEU 541 Ca 0.18 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1xp6 h LEU 541 Cb 0.39 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1xp6 h LEU 541 CO 0.01 0.52 0.03 -0.33 -0.34 0.00 0.00 178.44 178.33 1xp6 h GLU 542 N 0.85 0.10 -0.55 1.25 4.39 -1.31 0.91 114.58 120.21 1xp6 h GLU 542 Ca 0.23 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1xp6 h GLU 542 Cb -0.09 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1xp6 h GLU 542 CO -0.05 0.06 0.28 0.52 -1.16 0.00 0.00 179.01 178.66 1xp6 h MET 543 N 0.10 0.78 0.07 2.33 2.86 -1.20 -3.20 114.93 116.68 1xp6 h MET 543 Ca 0.07 -0.11 -0.28 0.00 -2.06 0.00 0.00 59.70 57.32 1xp6 h MET 543 Cb 0.06 -0.14 0.02 0.00 0.06 0.00 0.00 31.60 31.60 1xp6 h MET 543 CO -0.09 0.63 -1.15 -0.07 1.06 0.00 0.00 176.91 177.29 1xp6 h LEU 544 N 0.74 0.83 -5.78 1.22 3.38 -0.66 -3.38 115.31 111.66 1xp6 h LEU 544 Ca 0.19 -0.73 -0.64 0.00 0.09 0.00 0.00 57.88 56.79 1xp6 h LEU 544 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xp6 h LEU 544 CO -0.03 1.53 3.05 -0.67 0.09 0.00 0.00 178.44 182.42 1xp6 n ASP 545 N -3.79 4.90 -4.85 -0.43 2.03 0.31 -4.94 116.55 109.77 1xp6 n ASP 545 Ca -0.12 -2.67 -0.32 0.00 0.52 0.00 0.00 54.79 52.21 1xp6 n ASP 545 Cb 0.94 -1.43 -0.05 0.00 -0.72 0.00 0.00 41.12 39.85 1xp6 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xp6 s ALA 546 N 3.38 3.24 0.90 -1.67 0.00 -1.26 -4.90 121.76 121.44 1xp6 s ALA 546 Ca 0.54 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 1xp6 s ALA 546 Cb 0.14 -2.87 0.13 0.00 0.00 0.00 0.00 23.12 20.52 1xp6 s ALA 546 CO -0.03 0.11 0.78 -2.39 0.00 0.00 0.00 175.76 174.23 1xp6 n HIS 547 N -0.87 -3.78 -1.56 0.00 1.44 -1.26 -5.00 115.22 104.20 1xp6 n HIS 547 Ca 0.04 -0.82 0.03 0.00 -2.01 0.00 0.00 57.72 54.96 1xp6 n HIS 547 Cb 0.54 -0.59 0.21 0.00 0.12 0.00 0.00 29.99 30.26 1xp6 n HIS 547 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xp6 n ARG 548 N -2.60 1.67 0.09 -1.40 1.74 -1.26 -4.74 116.66 110.15 1xp6 n ARG 548 Ca 0.10 -3.28 -0.12 0.00 -0.77 0.00 0.00 57.85 53.78 1xp6 n ARG 548 Cb 0.36 -1.68 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 1xp6 n ARG 548 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xp6 h LEU 549 N 1.01 0.29 -2.92 0.55 3.38 -2.05 -2.99 115.31 112.57 1xp6 h LEU 549 Ca 0.07 -0.29 -0.21 0.00 0.09 0.00 0.00 57.88 57.54 1xp6 h LEU 549 Cb 1.20 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1xp6 h LEU 549 CO 0.12 1.19 0.26 1.41 0.09 0.00 0.00 178.44 181.52 1xp6 n HIS 550 N -3.52 1.14 1.03 1.13 8.25 -1.26 -5.35 115.22 116.64 1xp6 n HIS 550 Ca -0.05 -1.22 0.08 0.00 -0.26 0.00 0.00 57.72 56.27 1xp6 n HIS 550 Cb 0.95 -0.61 0.49 0.00 1.12 0.00 0.00 29.99 31.94 1xp6 n HIS 550 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98