#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcg n SER 305 N 0.00 0.00 0.24 0.53 2.88 -1.26 -4.86 113.62 111.16 1pcg n SER 305 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1pcg n SER 305 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 1pcg n SER 305 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pcg h LEU 306 N 0.00 0.00 -1.76 2.46 6.46 -2.00 -2.95 115.31 117.53 1pcg h LEU 306 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1pcg h LEU 306 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1pcg h LEU 306 CO 0.00 0.07 -0.08 0.00 -0.62 0.00 0.00 178.44 177.81 1pcg h ALA 307 N 1.93 1.80 0.00 1.25 0.00 -1.93 -2.20 119.26 120.11 1pcg h ALA 307 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pcg h ALA 307 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pcg h ALA 307 CO 0.01 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1pcg n LEU 308 N -4.41 0.00 -0.23 0.00 4.77 -1.11 -3.21 117.00 112.80 1pcg n LEU 308 Ca -0.02 0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1pcg n LEU 308 Cb 0.18 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1pcg n LEU 308 CO 0.36 -0.01 0.60 -1.54 -1.33 0.00 0.00 177.39 175.46 1pcg n SER 309 N -1.05 2.64 -4.87 -1.43 3.41 -0.83 -5.03 113.62 106.47 1pcg n SER 309 Ca 0.19 -3.05 -0.31 0.00 -0.26 0.00 0.00 58.87 55.43 1pcg n SER 309 Cb 0.11 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 1pcg n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pcg s LEU 310 N -2.83 3.97 0.28 1.04 1.43 -1.20 -5.08 118.68 116.29 1pcg s LEU 310 Ca 0.33 1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 1pcg s LEU 310 Cb 0.29 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 1pcg s LEU 310 CO 0.04 -0.28 0.55 0.42 0.23 0.00 0.00 176.35 177.31 1pcg s THR 311 N -2.15 5.02 0.33 5.49 -4.23 -1.26 -4.84 115.64 114.00 1pcg s THR 311 Ca 0.51 0.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.23 1pcg s THR 311 Cb -0.10 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 70.38 1pcg s THR 311 CO 0.26 -0.28 1.60 0.00 -0.54 0.00 0.00 174.62 175.66 1pcg h ALA 312 N 1.81 1.70 -0.27 3.99 0.00 -1.94 0.50 119.26 125.06 1pcg h ALA 312 Ca -0.47 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1pcg h ALA 312 Cb 1.19 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1pcg h ALA 312 CO 0.67 -0.70 -0.37 -0.44 0.00 0.00 0.00 179.25 178.41 1pcg h ASP 313 N 0.10 0.63 -0.45 0.00 3.32 -1.96 -0.57 116.42 117.49 1pcg h ASP 313 Ca 0.71 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 57.36 1pcg h ASP 313 Cb 1.67 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 1pcg h ASP 313 CO -0.76 0.94 -0.24 1.56 -1.72 0.00 0.00 179.24 179.02 1pcg h GLN 314 N 0.50 0.95 -0.03 3.56 4.20 -0.50 -1.46 115.11 122.33 1pcg h GLN 314 Ca 0.05 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.35 1pcg h GLN 314 Cb 0.87 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1pcg h GLN 314 CO 0.07 1.09 -0.05 1.98 -0.67 0.00 0.00 178.83 181.25 1pcg h MET 315 N 0.79 -0.08 -0.59 1.46 4.05 -0.50 0.18 114.93 120.25 1pcg h MET 315 Ca 0.10 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1pcg h MET 315 Cb 0.82 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 1pcg h MET 315 CO 0.07 -0.05 0.36 0.28 0.23 0.00 0.00 176.91 177.80 1pcg h VAL 316 N -0.08 1.07 -0.36 -5.77 2.07 -1.04 -2.12 116.25 110.03 1pcg h VAL 316 Ca 0.03 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1pcg h VAL 316 Cb 0.12 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1pcg h VAL 316 CO -0.08 0.13 0.11 0.28 0.02 0.00 0.00 177.57 178.04 1pcg h SER 317 N 0.72 0.11 -0.07 0.57 0.02 -0.71 0.12 113.55 114.31 1pcg h SER 317 Ca 0.24 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1pcg h SER 317 Cb 0.02 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1pcg h SER 317 CO -0.10 0.10 -0.12 0.00 -1.14 0.00 0.00 176.83 175.57 1pcg h ALA 318 N 1.24 -0.08 -0.52 3.77 0.00 -0.16 -1.14 119.26 122.36 1pcg h ALA 318 Ca 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1pcg h ALA 318 Cb 0.15 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pcg h ALA 318 CO -0.18 -0.59 0.01 -0.07 0.00 0.00 0.00 179.25 178.42 1pcg h LEU 319 N -0.17 0.90 -1.54 0.00 3.38 -1.10 -1.16 115.31 115.62 1pcg h LEU 319 Ca 0.07 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1pcg h LEU 319 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pcg h LEU 319 CO -0.17 0.98 -0.05 -0.07 0.09 0.00 0.00 178.44 179.22 1pcg h LEU 320 N 0.79 0.21 -0.39 1.67 3.38 -0.82 -2.59 115.31 117.56 1pcg h LEU 320 Ca 0.15 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1pcg h LEU 320 Cb 0.52 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1pcg h LEU 320 CO 0.03 0.30 -0.54 0.44 0.09 0.00 0.00 178.44 178.75 1pcg h ASP 321 N 0.22 0.84 0.96 -0.43 5.19 -0.75 -3.19 116.42 119.26 1pcg h ASP 321 Ca 0.05 -0.45 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1pcg h ASP 321 Cb 0.25 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1pcg h ASP 321 CO 0.01 1.22 -0.03 0.00 -3.12 0.00 0.00 179.24 177.32 1pcg h ALA 322 N 0.80 1.01 -1.14 3.45 0.00 -0.84 -3.47 119.26 119.08 1pcg h ALA 322 Ca 0.01 -0.03 -0.76 0.00 0.00 0.00 0.00 54.91 54.13 1pcg h ALA 322 Cb 1.13 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.97 1pcg h ALA 322 CO 0.11 0.04 0.11 0.39 0.00 0.00 0.00 179.25 179.90 1pcg n GLU 323 N -3.14 0.23 -1.84 0.00 -0.58 -1.10 -4.64 120.64 109.57 1pcg n GLU 323 Ca 0.00 0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.51 1pcg n GLU 323 Cb 0.31 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.61 1pcg n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1pcg s PRO 324 N 0.03 3.37 0.60 3.49 0.04 -1.26 -5.04 135.00 136.23 1pcg s PRO 324 Ca 0.88 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 1pcg s PRO 324 Cb -1.19 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1pcg s PRO 324 CO 0.55 -0.76 1.13 -1.25 0.04 0.00 0.00 177.00 176.72 1pcg s PRO 325 N -4.89 3.05 -0.56 0.56 0.04 -1.26 -4.97 135.00 126.97 1pcg s PRO 325 Ca 0.57 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.95 1pcg s PRO 325 Cb -0.12 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1pcg s PRO 325 CO 0.50 -1.08 0.84 0.42 0.04 0.00 0.00 177.00 177.71 1pcg s ILE 326 N -1.98 4.55 0.66 0.56 1.01 -1.26 -5.03 121.20 119.71 1pcg s ILE 326 Ca 0.71 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 1pcg s ILE 326 Cb -0.23 -4.50 -0.00 0.00 0.01 0.00 0.00 42.46 37.74 1pcg s ILE 326 CO 0.34 -1.10 1.11 -0.76 0.00 0.00 0.00 174.94 174.53 1pcg s LEU 327 N 3.49 3.39 -0.02 2.97 1.43 -1.26 -4.95 118.68 123.73 1pcg s LEU 327 Ca 0.23 1.99 -0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1pcg s LEU 327 Cb -0.16 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 1pcg s LEU 327 CO 0.14 -1.61 0.04 -0.31 0.23 0.00 0.00 176.35 174.84 1pcg s TYR 328 N -2.35 3.19 0.37 0.29 1.51 -1.26 -4.28 117.35 114.82 1pcg s TYR 328 Ca 0.67 0.17 -0.27 0.00 -1.01 0.00 0.00 57.07 56.62 1pcg s TYR 328 Cb -0.20 -1.73 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 1pcg s TYR 328 CO 0.41 0.51 1.24 0.45 -1.11 0.00 0.00 175.55 177.05 1pcg s SER 329 N -1.47 6.62 -0.84 2.29 0.15 -1.26 -4.95 113.70 114.24 1pcg s SER 329 Ca 0.19 2.53 0.01 0.00 0.70 0.00 0.00 55.95 59.39 1pcg s SER 329 Cb -0.12 -2.63 0.32 0.00 -1.71 0.00 0.00 66.02 61.88 1pcg s SER 329 CO 0.10 -0.62 1.41 -0.62 1.20 0.00 0.00 173.24 174.70 1pcg n GLU 330 N 0.43 4.38 -0.86 5.44 1.02 -1.26 -5.01 120.64 124.78 1pcg n GLU 330 Ca 0.02 -4.74 0.00 0.00 -0.02 0.00 0.00 57.16 52.42 1pcg n GLU 330 Cb 0.44 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1pcg n GLU 330 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1pcg n TYR 331 N 0.02 -0.12 -3.97 -0.32 0.18 -1.26 -5.12 117.16 106.57 1pcg n TYR 331 Ca 0.38 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.86 1pcg n TYR 331 Cb 0.32 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.13 1pcg n TYR 331 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1pcg s ASP 332 N 0.00 4.20 0.56 9.48 2.15 -1.26 -5.01 116.67 126.79 1pcg s ASP 332 Ca 0.00 -1.45 0.25 0.00 0.43 0.00 0.00 52.55 51.78 1pcg s ASP 332 Cb 0.00 -1.34 1.58 0.00 -0.30 0.00 0.00 42.92 42.86 1pcg s ASP 332 CO 0.00 -0.26 2.16 -0.65 -0.17 0.00 0.00 175.17 176.24 1pcg h PRO 333 N 7.85 0.00 -1.75 4.34 0.11 -2.01 -3.08 132.00 137.47 1pcg h PRO 333 Ca -0.15 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.66 1pcg h PRO 333 Cb 1.05 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 1pcg h PRO 333 CO 0.45 0.00 0.27 0.25 -0.21 0.00 0.00 178.00 178.76 1pcg n THR 334 N -4.09 2.80 -4.55 -1.15 -2.24 -1.26 -4.82 114.28 98.97 1pcg n THR 334 Ca -0.01 -1.76 -0.23 0.00 -2.27 0.00 0.00 64.05 59.79 1pcg n THR 334 Cb 0.20 -1.48 -0.16 0.00 -2.10 0.00 0.00 70.33 66.78 1pcg n THR 334 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1pcg s ARG 335 N -1.24 1.44 0.13 -0.78 3.52 -1.17 -5.11 118.95 115.74 1pcg s ARG 335 Ca 0.36 -0.40 -0.35 0.00 -0.13 0.00 0.00 55.73 55.21 1pcg s ARG 335 Cb 0.24 -1.24 -0.16 0.00 -1.56 0.00 0.00 34.95 32.23 1pcg s ARG 335 CO -0.05 0.09 1.36 -2.30 -0.81 0.00 0.00 175.30 173.59 1pcg n PRO 336 N 3.55 1.45 -1.93 5.12 -0.02 -1.26 -4.89 135.00 137.02 1pcg n PRO 336 Ca -0.21 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 1pcg n PRO 336 Cb 0.53 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1pcg n PRO 336 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1pcg s PHE 337 N 0.39 1.78 0.09 6.00 0.08 -1.26 -4.75 117.98 120.31 1pcg s PHE 337 Ca 0.79 0.27 -0.10 0.00 0.12 0.00 0.00 56.93 58.02 1pcg s PHE 337 Cb -0.85 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 37.60 1pcg s PHE 337 CO 0.46 -3.82 0.23 -1.54 -0.10 0.00 0.00 175.22 170.44 1pcg s SER 338 N 4.67 0.06 0.27 1.36 1.04 -1.26 -5.01 113.70 114.83 1pcg s SER 338 Ca 0.79 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.64 1pcg s SER 338 Cb -0.31 0.36 0.63 0.00 0.10 0.00 0.00 66.02 66.80 1pcg s SER 338 CO 0.32 -0.75 1.70 -0.08 0.98 0.00 0.00 173.24 175.41 1pcg h GLU 339 N 2.70 0.36 -0.03 4.02 4.81 -1.91 -0.27 114.58 124.25 1pcg h GLU 339 Ca -0.34 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.70 1pcg h GLU 339 Cb 1.21 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1pcg h GLU 339 CO 0.55 0.24 -0.73 0.00 -0.73 0.00 0.00 179.01 178.33 1pcg h ALA 340 N 1.67 0.71 -0.01 2.92 0.00 -1.90 -2.49 119.26 120.16 1pcg h ALA 340 Ca 0.51 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1pcg h ALA 340 Cb 0.92 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1pcg h ALA 340 CO -0.51 0.83 -0.47 0.66 0.00 0.00 0.00 179.25 179.76 1pcg h SER 341 N 0.12 0.44 0.26 0.00 4.64 -1.61 -2.79 113.55 114.62 1pcg h SER 341 Ca -0.02 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1pcg h SER 341 Cb 1.29 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1pcg h SER 341 CO 0.11 1.12 -0.28 -0.03 -0.87 0.00 0.00 176.83 176.89 1pcg h MET 342 N -0.21 -0.56 -0.63 4.77 -1.53 -1.16 -0.16 114.93 115.46 1pcg h MET 342 Ca -0.05 0.04 0.11 0.00 -3.44 0.00 0.00 59.70 56.36 1pcg h MET 342 Cb 1.18 0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 32.32 1pcg h MET 342 CO 0.09 -0.37 0.42 0.52 0.14 0.00 0.00 176.91 177.71 1pcg h MET 343 N -0.58 0.36 -0.13 0.39 2.07 -1.55 0.13 114.93 115.62 1pcg h MET 343 Ca -0.01 -0.02 -0.16 0.00 -2.07 0.00 0.00 59.70 57.44 1pcg h MET 343 Cb 0.54 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 1pcg h MET 343 CO -0.07 0.24 -0.60 0.78 1.07 0.00 0.00 176.91 178.34 1pcg h GLY 344 N 0.37 0.47 0.61 8.32 0.00 -1.08 -1.23 103.07 110.53 1pcg h GLY 344 Ca 0.30 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1pcg h GLY 344 CO -0.08 0.52 -0.15 -2.00 0.00 0.00 0.00 176.54 174.83 1pcg h LEU 345 N 0.32 -0.36 -0.63 3.11 6.46 0.10 -0.63 115.31 123.68 1pcg h LEU 345 Ca -0.00 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1pcg h LEU 345 Cb 1.13 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 1pcg h LEU 345 CO 0.10 0.04 0.19 -0.07 -0.62 0.00 0.00 178.44 178.08 1pcg h LEU 346 N -0.82 0.93 -1.08 2.25 3.38 -1.19 -2.55 115.31 116.22 1pcg h LEU 346 Ca -0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1pcg h LEU 346 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1pcg h LEU 346 CO 0.07 0.90 -0.45 0.00 0.09 0.00 0.00 178.44 179.05 1pcg h THR 347 N 0.92 1.33 -0.13 0.22 1.03 -1.27 -1.23 112.91 113.78 1pcg h THR 347 Ca 0.20 -1.55 -0.07 0.00 -0.01 0.00 0.00 66.41 64.98 1pcg h THR 347 Cb 0.31 1.83 -0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1pcg h THR 347 CO -0.00 0.45 -0.19 -1.13 -0.01 0.00 0.00 175.52 174.63 1pcg h ASN 348 N 0.02 0.38 0.13 0.00 -0.73 -0.90 -2.31 115.58 112.16 1pcg h ASN 348 Ca -0.00 -0.53 0.01 0.00 1.87 0.00 0.00 56.30 57.65 1pcg h ASN 348 Cb 0.80 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 1pcg h ASN 348 CO 0.06 0.84 -0.13 0.25 -0.37 0.00 0.00 177.43 178.07 1pcg h LEU 349 N -0.06 -0.36 -0.49 0.34 5.85 -1.32 -2.63 115.31 116.65 1pcg h LEU 349 Ca 0.01 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1pcg h LEU 349 Cb 0.75 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 1pcg h LEU 349 CO 0.04 -0.20 0.04 0.00 -0.34 0.00 0.00 178.44 177.98 1pcg h ALA 350 N 0.56 0.49 -0.70 1.25 0.00 -1.25 -0.96 119.26 118.66 1pcg h ALA 350 Ca 0.01 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1pcg h ALA 350 Cb 0.28 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1pcg h ALA 350 CO -0.04 -0.36 0.39 0.22 0.00 0.00 0.00 179.25 179.46 1pcg h ASP 351 N 0.16 0.58 -0.16 0.00 1.82 -1.17 -1.61 116.42 116.04 1pcg h ASP 351 Ca 0.24 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 1pcg h ASP 351 Cb 0.35 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1pcg h ASP 351 CO -0.37 0.37 0.04 0.03 -1.61 0.00 0.00 179.24 177.70 1pcg h ARG 352 N 0.72 0.26 -0.37 0.28 3.08 -0.98 -2.80 114.38 114.58 1pcg h ARG 352 Ca 0.31 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.41 1pcg h ARG 352 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1pcg h ARG 352 CO -0.19 0.40 0.30 0.93 -1.07 0.00 0.00 179.97 180.34 1pcg h GLU 353 N 0.07 0.00 -0.09 0.04 5.08 -0.66 -1.19 114.58 117.83 1pcg h GLU 353 Ca 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1pcg h GLU 353 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pcg h GLU 353 CO 0.00 0.00 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.59 1pcg h LEU 354 N 0.00 0.19 -0.04 1.33 3.38 -1.03 0.29 115.31 119.43 1pcg h LEU 354 Ca 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1pcg h LEU 354 Cb 0.77 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pcg h LEU 354 CO -0.00 0.53 -0.00 0.58 0.09 0.00 0.00 178.44 179.64 1pcg h VAL 355 N 0.16 1.26 -0.38 1.22 2.07 -1.26 -1.83 116.25 117.49 1pcg h VAL 355 Ca 0.02 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1pcg h VAL 355 Cb 0.70 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1pcg h VAL 355 CO 0.05 0.21 -0.02 0.45 0.02 0.00 0.00 177.57 178.28 1pcg h HIS 356 N -0.24 0.64 -0.53 1.57 3.86 -1.49 -2.71 115.15 116.25 1pcg h HIS 356 Ca 0.01 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1pcg h HIS 356 Cb 0.34 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1pcg h HIS 356 CO 0.04 0.63 0.30 1.98 0.86 0.00 0.00 177.93 181.74 1pcg h MET 357 N 0.57 0.58 -0.05 2.45 -1.53 -0.21 0.17 114.93 116.91 1pcg h MET 357 Ca 0.12 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 1pcg h MET 357 Cb 0.40 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.31 1pcg h MET 357 CO 0.02 0.38 -0.04 0.82 0.14 0.00 0.00 176.91 178.23 1pcg h ILE 358 N 0.60 1.06 -0.08 1.77 2.04 -1.02 -0.25 117.51 121.63 1pcg h ILE 358 Ca 0.22 -0.26 -0.23 0.00 1.00 0.00 0.00 64.86 65.59 1pcg h ILE 358 Cb 0.06 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1pcg h ILE 358 CO -0.12 0.08 -0.85 0.78 0.00 0.00 0.00 178.15 178.04 1pcg h ASN 359 N 0.07 0.89 -0.44 1.72 2.35 -0.97 -3.11 115.58 116.08 1pcg h ASN 359 Ca 0.02 -0.68 -0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1pcg h ASN 359 Cb 0.12 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1pcg h ASN 359 CO 0.01 1.44 0.26 -0.25 -1.65 0.00 0.00 177.43 177.23 1pcg h TRP 360 N 0.41 0.59 -0.78 1.19 7.01 -0.17 -2.79 115.95 121.41 1pcg h TRP 360 Ca -0.08 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.01 1pcg h TRP 360 Cb 1.50 -0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 28.29 1pcg h TRP 360 CO 0.10 0.43 0.42 0.00 -2.79 0.00 0.00 178.44 176.60 1pcg h ALA 361 N 1.11 1.10 -0.06 2.65 0.00 -1.09 0.13 119.26 123.09 1pcg h ALA 361 Ca 0.16 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1pcg h ALA 361 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pcg h ALA 361 CO -0.03 0.03 0.11 0.87 0.00 0.00 0.00 179.25 180.23 1pcg h LYS 362 N 0.71 0.00 0.00 0.00 1.57 -1.43 -1.53 116.57 115.89 1pcg h LYS 362 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1pcg h LYS 362 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1pcg h LYS 362 CO -0.26 0.00 -0.66 0.54 -0.57 0.00 0.00 179.45 178.50 1pcg n ARG 363 N -3.50 0.02 -2.36 3.15 1.74 0.02 -4.47 116.66 111.26 1pcg n ARG 363 Ca -0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1pcg n ARG 363 Cb 0.19 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1pcg n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pcg s VAL 364 N -3.01 4.07 0.18 1.55 1.01 -0.58 -4.84 120.40 118.79 1pcg s VAL 364 Ca 0.10 1.38 -0.32 0.00 0.00 0.00 0.00 61.98 63.14 1pcg s VAL 364 Cb 0.17 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 1pcg s VAL 364 CO 0.75 -0.05 1.11 -2.65 0.00 0.00 0.00 175.10 174.27 1pcg n PRO 365 N 5.79 1.11 0.00 2.72 -0.02 -1.26 -1.18 135.00 142.16 1pcg n PRO 365 Ca 0.13 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1pcg n PRO 365 Cb 0.45 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1pcg n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pcg n GLY 366 N 1.90 2.96 0.50 -1.23 0.00 -1.26 -4.91 105.19 103.16 1pcg n GLY 366 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1pcg n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pcg h PHE 367 N 0.00 -1.22 0.00 1.61 3.57 -1.43 -2.97 116.94 116.50 1pcg h PHE 367 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1pcg h PHE 367 Cb 0.00 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1pcg h PHE 367 CO 0.00 -0.72 0.05 -0.39 -2.23 0.00 0.00 178.31 175.01 1pcg h VAL 368 N -1.22 0.00 0.00 1.41 -1.51 -1.78 -0.70 116.25 112.45 1pcg h VAL 368 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1pcg h VAL 368 Cb 0.96 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1pcg h VAL 368 CO 0.16 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.97 1pcg n ASP 369 N -2.66 0.63 -4.87 4.19 8.00 -1.12 -4.77 116.55 115.95 1pcg n ASP 369 Ca -0.02 0.65 -0.31 0.00 0.71 0.00 0.00 54.79 55.82 1pcg n ASP 369 Cb 0.10 -0.78 -0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1pcg n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pcg s LEU 370 N -4.38 3.37 0.77 0.64 1.43 -0.27 -5.05 118.68 115.20 1pcg s LEU 370 Ca 0.05 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1pcg s LEU 370 Cb 0.09 -4.38 0.06 0.00 0.03 0.00 0.00 46.19 41.99 1pcg s LEU 370 CO 0.40 -0.77 1.09 0.42 0.23 0.00 0.00 176.35 177.72 1pcg s THR 371 N -3.00 3.26 0.22 5.49 -4.23 -1.26 -4.79 115.64 111.34 1pcg s THR 371 Ca 0.55 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 61.40 1pcg s THR 371 Cb -0.11 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1pcg s THR 371 CO 0.48 -0.53 1.83 0.25 -0.54 0.00 0.00 174.62 176.11 1pcg h LEU 372 N -1.11 0.68 -0.58 4.79 5.85 -1.96 0.02 115.31 123.00 1pcg h LEU 372 Ca -0.44 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1pcg h LEU 372 Cb 1.23 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1pcg h LEU 372 CO 0.51 0.43 0.31 -0.74 -0.34 0.00 0.00 178.44 178.61 1pcg h HIS 373 N 0.81 0.80 -0.32 1.25 2.76 -1.99 -0.64 115.15 117.82 1pcg h HIS 373 Ca 0.34 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.36 1pcg h HIS 373 Cb 0.19 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1pcg h HIS 373 CO -0.06 0.59 -0.29 -0.44 -1.30 0.00 0.00 177.93 176.43 1pcg h ASP 374 N 0.78 0.69 -0.56 3.26 3.32 -1.77 -1.36 116.42 120.78 1pcg h ASP 374 Ca 0.20 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pcg h ASP 374 Cb 0.06 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1pcg h ASP 374 CO -0.03 0.94 0.29 1.56 -1.72 0.00 0.00 179.24 180.28 1pcg h GLN 375 N 0.57 0.78 -0.33 3.56 4.20 -0.62 -0.07 115.11 123.21 1pcg h GLN 375 Ca 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1pcg h GLN 375 Cb 0.78 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1pcg h GLN 375 CO 0.06 0.62 0.18 0.28 -0.67 0.00 0.00 178.83 179.30 1pcg h VAL 376 N 0.75 1.13 0.47 -0.54 2.07 -0.95 -2.34 116.25 116.84 1pcg h VAL 376 Ca 0.19 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1pcg h VAL 376 Cb 0.07 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1pcg h VAL 376 CO -0.03 0.13 -0.27 -0.74 0.02 0.00 0.00 177.57 176.68 1pcg h HIS 377 N 0.41 -0.71 -0.51 1.57 -0.00 -0.82 -0.29 115.15 114.79 1pcg h HIS 377 Ca 0.11 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.58 1pcg h HIS 377 Cb 0.05 0.25 -0.10 0.00 -0.00 0.00 0.00 27.41 27.61 1pcg h HIS 377 CO -0.03 -0.42 -0.15 -0.07 -0.00 0.00 0.00 177.93 177.26 1pcg h LEU 378 N -0.70 -0.55 -1.01 0.26 3.38 -0.94 -0.23 115.31 115.53 1pcg h LEU 378 Ca -0.06 0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1pcg h LEU 378 Cb 0.56 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1pcg h LEU 378 CO 0.07 -0.19 -0.10 -0.07 0.09 0.00 0.00 178.44 178.24 1pcg h LEU 379 N -0.03 0.58 -1.28 1.67 3.38 -1.17 -1.53 115.31 116.93 1pcg h LEU 379 Ca 0.24 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1pcg h LEU 379 Cb 0.40 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1pcg h LEU 379 CO -0.54 0.72 -0.35 -0.33 0.09 0.00 0.00 178.44 178.03 1pcg h GLU 380 N 0.56 0.00 -0.00 1.13 5.08 0.10 -0.91 114.58 120.54 1pcg h GLU 380 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1pcg h GLU 380 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1pcg h GLU 380 CO 0.03 0.35 -0.37 0.45 -1.00 0.00 0.00 179.01 178.47 1pcg n SER 381 N -4.00 0.58 0.00 1.42 2.88 -0.21 -4.42 113.62 109.86 1pcg n SER 381 Ca -0.02 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1pcg n SER 381 Cb 0.40 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1pcg n SER 381 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcg n ALA 382 N -1.26 0.67 -0.34 -1.46 0.00 -0.64 -4.70 120.51 112.78 1pcg n ALA 382 Ca 0.08 -0.09 0.17 0.00 0.00 0.00 0.00 53.44 53.60 1pcg n ALA 382 Cb 0.33 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.18 1pcg n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1pcg h TRP 383 N 0.00 0.93 0.09 0.00 5.08 -1.38 -1.03 115.95 119.64 1pcg h TRP 383 Ca 0.00 0.03 -0.26 0.00 1.08 0.00 0.00 58.89 59.74 1pcg h TRP 383 Cb 0.22 -0.27 0.01 0.00 -3.00 0.00 0.00 29.16 26.11 1pcg h TRP 383 CO 0.00 0.13 -1.15 1.25 -1.28 0.00 0.00 178.44 177.39 1pcg h LEU 384 N 0.59 0.54 -0.89 0.11 5.85 -1.90 -1.87 115.31 117.75 1pcg h LEU 384 Ca 0.60 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1pcg h LEU 384 Cb 1.17 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1pcg h LEU 384 CO -0.38 1.36 0.50 -0.33 -0.34 0.00 0.00 178.44 179.24 1pcg h GLU 385 N 0.15 1.23 -0.47 1.25 5.08 -1.67 0.21 114.58 120.37 1pcg h GLU 385 Ca -0.13 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1pcg h GLU 385 Cb 1.84 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1pcg h GLU 385 CO 0.20 0.89 0.03 0.82 -1.00 0.00 0.00 179.01 179.94 1pcg h ILE 386 N 1.23 1.26 -0.59 3.13 2.04 -1.19 0.33 117.51 123.73 1pcg h ILE 386 Ca 0.31 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1pcg h ILE 386 Cb 0.01 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1pcg h ILE 386 CO -0.05 0.35 0.09 -0.07 0.00 0.00 0.00 178.15 178.47 1pcg h LEU 387 N 0.66 0.90 -0.08 1.44 3.38 -0.98 -1.79 115.31 118.85 1pcg h LEU 387 Ca 0.14 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1pcg h LEU 387 Cb 0.46 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pcg h LEU 387 CO 0.02 0.91 -0.09 0.24 0.09 0.00 0.00 178.44 179.61 1pcg h MET 388 N 0.89 0.20 -0.24 1.13 2.86 -0.56 -0.67 114.93 118.54 1pcg h MET 388 Ca 0.18 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1pcg h MET 388 Cb 0.40 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1pcg h MET 388 CO 0.01 0.64 -0.07 0.97 1.06 0.00 0.00 176.91 179.52 1pcg h ILE 389 N -0.23 1.19 -0.62 -1.22 2.10 -0.30 0.18 117.51 118.61 1pcg h ILE 389 Ca 0.01 -0.79 -0.06 0.00 1.08 0.00 0.00 64.86 65.10 1pcg h ILE 389 Cb 0.61 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.40 1pcg h ILE 389 CO 0.02 0.26 0.14 1.23 -1.08 0.00 0.00 178.15 178.72 1pcg h GLY 390 N 0.78 1.07 0.96 8.18 0.00 -1.27 -1.41 103.07 111.39 1pcg h GLY 390 Ca 0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1pcg h GLY 390 CO 0.02 0.63 -0.43 -2.00 0.00 0.00 0.00 176.54 174.76 1pcg h LEU 391 N 0.91 -1.02 -1.53 3.11 5.85 -0.00 -2.45 115.31 120.17 1pcg h LEU 391 Ca 0.19 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.12 1pcg h LEU 391 Cb 0.37 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1pcg h LEU 391 CO 0.00 -0.70 0.56 -0.37 -0.34 0.00 0.00 178.44 177.60 1pcg h VAL 392 N -1.26 0.73 0.22 1.05 -1.51 -0.97 -2.17 116.25 112.34 1pcg h VAL 392 Ca -0.12 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 1pcg h VAL 392 Cb 0.92 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1pcg h VAL 392 CO 0.20 0.08 -0.11 -0.25 -1.23 0.00 0.00 177.57 176.26 1pcg h TRP 393 N 0.42 -0.28 0.00 5.19 2.91 -1.07 -2.53 115.95 120.59 1pcg h TRP 393 Ca 0.43 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.44 1pcg h TRP 393 Cb 1.03 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 1pcg h TRP 393 CO -0.00 -0.00 0.00 2.89 -1.03 0.00 0.00 178.44 180.30 1pcg n ARG 394 N -5.12 0.98 -0.01 2.65 1.85 -0.94 -2.39 116.66 113.69 1pcg n ARG 394 Ca -0.09 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.82 1pcg n ARG 394 Cb 0.22 -1.13 0.06 0.00 -1.05 0.00 0.00 32.46 30.56 1pcg n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1pcg n SER 395 N -0.63 2.14 -0.01 2.89 7.64 -0.86 -4.61 113.62 120.18 1pcg n SER 395 Ca 0.06 -1.57 -0.09 0.00 1.01 0.00 0.00 58.87 58.28 1pcg n SER 395 Cb 0.03 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1pcg n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1pcg h MET 396 N 2.51 -0.16 -1.80 1.43 2.86 -1.09 -2.56 114.93 116.12 1pcg h MET 396 Ca 0.00 0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 1pcg h MET 396 Cb 0.55 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.18 1pcg h MET 396 CO 0.00 -0.11 0.17 0.39 1.06 0.00 0.00 176.91 178.42 1pcg n GLU 397 N -5.29 1.46 -2.87 1.72 1.02 -1.26 -4.26 120.64 111.16 1pcg n GLU 397 Ca -0.03 -0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 56.18 1pcg n GLU 397 Cb 0.21 -1.37 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1pcg n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pcg n HIS 398 N 1.05 -1.78 -0.94 -0.32 8.25 -0.97 -5.12 115.22 115.39 1pcg n HIS 398 Ca 0.17 -2.66 -0.34 0.00 -0.26 0.00 0.00 57.72 54.63 1pcg n HIS 398 Cb 0.56 0.94 -0.03 0.00 1.12 0.00 0.00 29.99 32.57 1pcg n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1pcg n PRO 399 N 0.26 0.00 -0.91 -0.41 -0.02 -1.26 -0.28 135.00 132.38 1pcg n PRO 399 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1pcg n PRO 399 Cb 0.70 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 1pcg n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pcg n GLY 400 N 1.18 0.05 3.16 -1.23 0.00 -1.26 -4.95 105.19 102.15 1pcg n GLY 400 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1pcg n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcg s LYS 401 N -1.67 0.80 -0.23 1.61 1.02 0.62 -3.90 119.74 117.99 1pcg s LYS 401 Ca 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 1pcg s LYS 401 Cb 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1pcg s LYS 401 CO 0.00 0.09 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.95 1pcg s LEU 402 N -2.26 2.91 -1.21 3.17 1.43 0.16 -4.79 118.68 118.08 1pcg s LEU 402 Ca 0.03 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.47 1pcg s LEU 402 Cb -0.04 -1.69 0.20 0.00 0.03 0.00 0.00 46.19 44.69 1pcg s LEU 402 CO 0.00 -0.05 1.64 -0.11 0.23 0.00 0.00 176.35 178.06 1pcg n LEU 403 N 4.75 6.18 -0.26 1.79 0.00 -1.26 -1.24 117.00 126.95 1pcg n LEU 403 Ca -0.18 -4.74 0.11 0.00 0.00 0.00 0.00 56.01 51.20 1pcg n LEU 403 Cb 0.50 -1.47 0.36 0.00 0.00 0.00 0.00 43.42 42.81 1pcg n LEU 403 CO 0.28 1.28 1.22 -0.26 0.00 0.00 0.00 177.39 179.91 1pcg h PHE 404 N 6.09 0.83 -3.71 1.96 0.04 -1.77 -3.44 116.94 116.94 1pcg h PHE 404 Ca 0.32 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.04 1pcg h PHE 404 Cb 0.70 -0.26 -0.12 0.00 2.20 0.00 0.00 35.95 38.47 1pcg h PHE 404 CO 1.13 0.33 -0.22 0.00 -0.60 0.00 0.00 178.31 178.95 1pcg s ALA 405 N -5.70 -0.28 0.49 2.45 0.00 -1.06 -4.97 121.76 112.69 1pcg s ALA 405 Ca -0.10 -0.69 0.27 0.00 0.00 0.00 0.00 51.96 51.44 1pcg s ALA 405 Cb 0.22 0.85 1.54 0.00 0.00 0.00 0.00 23.12 25.73 1pcg s ALA 405 CO 0.79 -0.69 2.13 -1.35 0.00 0.00 0.00 175.76 176.64 1pcg h PRO 406 N 2.44 0.00 -0.54 0.00 0.11 -1.85 -1.81 132.00 130.35 1pcg h PRO 406 Ca -0.31 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.47 1pcg h PRO 406 Cb 1.24 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.15 1pcg h PRO 406 CO 0.45 0.08 -0.07 0.27 -0.21 0.00 0.00 178.00 178.52 1pcg n ASN 407 N -3.81 3.61 -2.75 -2.05 6.94 -1.26 -4.74 115.26 111.19 1pcg n ASN 407 Ca -0.02 -3.78 -0.05 0.00 -0.02 0.00 0.00 54.58 50.70 1pcg n ASN 407 Cb 0.18 -0.64 0.02 0.00 -2.36 0.00 0.00 39.78 36.98 1pcg n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1pcg n LEU 408 N -1.03 -3.27 -4.41 -4.53 7.94 -0.68 -4.77 117.00 106.25 1pcg n LEU 408 Ca 0.40 -2.96 -0.39 0.00 -1.11 0.00 0.00 56.01 51.96 1pcg n LEU 408 Cb 1.01 0.77 -0.12 0.00 0.53 0.00 0.00 43.42 45.62 1pcg n LEU 408 CO 0.32 1.93 -0.21 -0.22 -1.11 0.00 0.00 177.39 178.11 1pcg s LEU 409 N 0.49 4.15 0.33 -1.96 2.96 -1.26 -2.05 118.68 121.34 1pcg s LEU 409 Ca 0.30 -0.62 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 1pcg s LEU 409 Cb 0.06 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1pcg s LEU 409 CO -0.10 -0.22 0.09 -0.76 -1.32 0.00 0.00 176.35 174.04 1pcg s LEU 410 N 1.59 3.18 0.22 -0.68 1.43 -0.37 -4.93 118.68 119.12 1pcg s LEU 410 Ca 0.04 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1pcg s LEU 410 Cb -0.17 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1pcg s LEU 410 CO 0.06 -0.25 -0.01 1.51 0.23 0.00 0.00 176.35 177.89 1pcg s ASP 411 N -3.79 1.71 0.14 2.29 1.47 -1.26 0.36 116.67 117.58 1pcg s ASP 411 Ca 0.36 -1.20 -0.05 0.00 1.18 0.00 0.00 52.55 52.83 1pcg s ASP 411 Cb -0.02 0.03 0.20 0.00 -0.34 0.00 0.00 42.92 42.79 1pcg s ASP 411 CO 0.21 -0.51 0.79 -1.14 0.68 0.00 0.00 175.17 175.20 1pcg n ARG 412 N -0.38 -0.07 0.05 2.11 0.63 -1.25 -0.32 116.66 117.43 1pcg n ARG 412 Ca -0.05 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1pcg n ARG 412 Cb 0.64 -1.18 0.32 0.00 0.45 0.00 0.00 32.46 32.68 1pcg n ARG 412 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1pcg h ASN 413 N 0.00 0.37 0.49 6.15 2.35 -1.96 -1.23 115.58 121.76 1pcg h ASN 413 Ca 0.22 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1pcg h ASN 413 Cb 0.35 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1pcg h ASN 413 CO -0.52 0.52 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1pcg n GLN 414 N -4.24 0.21 0.10 0.81 6.02 0.56 -2.22 117.38 118.61 1pcg n GLN 414 Ca 0.00 0.11 -0.16 0.00 -0.01 0.00 0.00 57.00 56.94 1pcg n GLN 414 Cb 0.29 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.92 1pcg n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pcg h GLY 415 N 3.47 0.37 1.73 1.08 0.00 -1.16 -3.03 103.07 105.52 1pcg h GLY 415 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1pcg h GLY 415 CO 0.00 0.77 0.10 0.50 0.00 0.00 0.00 176.54 177.92 1pcg h LYS 416 N 0.11 0.00 -0.14 4.80 1.57 -1.44 -0.77 116.57 120.70 1pcg h LYS 416 Ca -0.14 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1pcg h LYS 416 Cb 1.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 1pcg h LYS 416 CO 0.20 0.00 0.18 1.03 -0.57 0.00 0.00 179.45 180.29 1pcg h SER 417 N 0.00 0.00 -4.25 0.86 0.87 -1.66 -3.41 113.55 105.96 1pcg h SER 417 Ca 0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1pcg h SER 417 Cb 0.21 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.91 1pcg h SER 417 CO 0.00 0.00 -0.86 -0.69 -0.53 0.00 0.00 176.83 174.75 1pcg s VAL 418 N -4.55 1.94 0.25 2.23 1.01 -0.29 -3.12 120.40 117.86 1pcg s VAL 418 Ca -0.05 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 1pcg s VAL 418 Cb 0.15 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 1pcg s VAL 418 CO 0.52 0.25 1.49 -0.70 0.00 0.00 0.00 175.10 176.65 1pcg s GLU 419 N -1.34 4.23 -1.14 2.72 2.12 -1.26 -2.57 118.70 121.46 1pcg s GLU 419 Ca 0.10 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.80 1pcg s GLU 419 Cb -0.10 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1pcg s GLU 419 CO 0.02 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 1pcg n GLY 420 N 2.34 1.04 0.14 -1.50 0.00 -1.26 -4.85 105.19 101.10 1pcg n GLY 420 Ca 0.08 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1pcg n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1pcg h MET 421 N 0.02 0.31 -0.65 1.61 -1.53 -1.74 -3.39 114.93 109.56 1pcg h MET 421 Ca -0.22 -0.53 0.11 0.00 -3.44 0.00 0.00 59.70 55.62 1pcg h MET 421 Cb 1.14 0.20 -0.08 0.00 -0.55 0.00 0.00 31.60 32.31 1pcg h MET 421 CO 0.32 1.25 0.25 0.28 0.14 0.00 0.00 176.91 179.15 1pcg h VAL 422 N -0.05 0.74 -0.42 -5.77 2.07 -1.75 -0.96 116.25 110.11 1pcg h VAL 422 Ca -0.36 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1pcg h VAL 422 Cb 1.97 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 1pcg h VAL 422 CO 0.11 0.08 -0.05 1.05 0.02 0.00 0.00 177.57 178.78 1pcg h GLU 423 N 0.43 0.05 -0.75 1.57 9.09 -1.96 0.14 114.58 123.15 1pcg h GLU 423 Ca 0.34 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.71 1pcg h GLU 423 Cb 0.44 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.49 1pcg h GLU 423 CO -0.33 0.04 0.35 0.82 0.05 0.00 0.00 179.01 179.94 1pcg h ILE 424 N 0.06 1.24 -0.77 -1.06 2.04 -1.50 -1.61 117.51 115.90 1pcg h ILE 424 Ca 0.21 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1pcg h ILE 424 Cb 0.31 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1pcg h ILE 424 CO -0.39 0.29 0.36 -0.26 0.00 0.00 0.00 178.15 178.15 1pcg h PHE 425 N 1.07 1.13 -0.68 1.37 0.05 0.21 -0.74 116.94 119.35 1pcg h PHE 425 Ca 0.26 -0.06 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 1pcg h PHE 425 Cb 0.12 -0.35 -0.03 0.00 2.00 0.00 0.00 35.95 37.69 1pcg h PHE 425 CO 0.01 0.84 0.36 -0.44 -0.18 0.00 0.00 178.31 178.90 1pcg h ASP 426 N 1.10 0.86 -0.19 2.17 3.32 -0.25 0.51 116.42 123.94 1pcg h ASP 426 Ca 0.26 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1pcg h ASP 426 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1pcg h ASP 426 CO -0.03 0.72 0.09 0.24 -1.72 0.00 0.00 179.24 178.54 1pcg h MET 427 N 0.94 0.28 -0.13 3.56 2.86 -0.88 0.38 114.93 121.94 1pcg h MET 427 Ca 0.24 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1pcg h MET 427 Cb 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1pcg h MET 427 CO -0.04 0.32 -0.00 -0.07 1.06 0.00 0.00 176.91 178.18 1pcg h LEU 428 N 0.17 -0.06 -0.86 1.22 3.38 -0.79 -0.53 115.31 117.84 1pcg h LEU 428 Ca 0.06 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1pcg h LEU 428 Cb 0.14 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1pcg h LEU 428 CO -0.01 -0.01 0.56 -0.07 0.09 0.00 0.00 178.44 179.00 1pcg h LEU 429 N 0.04 0.93 -0.39 1.67 3.38 -0.72 0.17 115.31 120.39 1pcg h LEU 429 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1pcg h LEU 429 Cb 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1pcg h LEU 429 CO -0.10 0.65 0.18 0.00 0.09 0.00 0.00 178.44 179.25 1pcg h ALA 430 N 1.35 0.48 -0.28 1.53 0.00 0.57 0.85 119.26 123.76 1pcg h ALA 430 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pcg h ALA 430 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pcg h ALA 430 CO -0.11 -0.20 0.18 1.15 0.00 0.00 0.00 179.25 180.28 1pcg h THR 431 N 0.36 1.08 -0.56 0.00 2.02 -0.44 -1.17 112.91 114.21 1pcg h THR 431 Ca 0.17 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1pcg h THR 431 Cb 0.10 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1pcg h THR 431 CO -0.14 0.08 0.23 -1.28 0.37 0.00 0.00 175.52 174.78 1pcg h SER 432 N 0.37 0.26 -0.89 4.18 0.87 -0.38 -0.15 113.55 117.82 1pcg h SER 432 Ca 0.10 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1pcg h SER 432 Cb -0.03 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1pcg h SER 432 CO -0.02 0.17 0.57 0.28 -0.53 0.00 0.00 176.83 177.31 1pcg h SER 433 N 0.43 1.03 -0.53 6.23 0.02 -0.34 -1.34 113.55 119.06 1pcg h SER 433 Ca 0.27 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1pcg h SER 433 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1pcg h SER 433 CO -0.25 0.76 0.27 -0.09 -1.14 0.00 0.00 176.83 176.38 1pcg h ARG 434 N 1.21 0.76 -0.60 3.45 9.65 -0.03 0.94 114.38 129.75 1pcg h ARG 434 Ca 0.32 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 59.07 1pcg h ARG 434 Cb -0.12 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.30 1pcg h ARG 434 CO -0.07 0.61 0.25 0.74 2.80 0.00 0.00 179.97 184.31 1pcg h PHE 435 N 0.71 0.90 0.26 2.20 0.04 -0.58 -0.63 116.94 119.84 1pcg h PHE 435 Ca 0.18 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1pcg h PHE 435 Cb 0.10 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1pcg h PHE 435 CO -0.01 0.71 -0.19 -0.09 -0.60 0.00 0.00 178.31 178.13 1pcg h ARG 436 N 0.82 -0.44 -0.92 1.51 2.43 -0.88 0.68 114.38 117.58 1pcg h ARG 436 Ca 0.20 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.57 1pcg h ARG 436 Cb 0.18 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1pcg h ARG 436 CO -0.02 -0.29 0.52 1.98 -1.51 0.00 0.00 179.97 180.65 1pcg h MET 437 N -0.45 0.68 -0.00 0.20 4.05 -0.62 0.26 114.93 119.04 1pcg h MET 437 Ca -0.02 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1pcg h MET 437 Cb 0.39 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1pcg h MET 437 CO 0.00 0.45 -0.12 -1.33 0.23 0.00 0.00 176.91 176.14 1pcg n MET 438 N -4.82 0.41 -3.62 0.39 2.81 -0.26 -4.95 117.12 107.08 1pcg n MET 438 Ca 0.20 -0.11 -0.22 0.00 -1.81 0.00 0.00 57.70 55.76 1pcg n MET 438 Cb 0.49 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.55 1pcg n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1pcg n ASN 439 N -1.20 -2.57 -4.76 7.83 2.85 0.18 -4.89 115.26 112.70 1pcg n ASN 439 Ca 0.12 -0.82 -0.41 0.00 -0.11 0.00 0.00 54.58 53.35 1pcg n ASN 439 Cb 0.29 -4.18 -0.01 0.00 1.24 0.00 0.00 39.78 37.12 1pcg n ASN 439 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1pcg s LEU 440 N -6.45 4.34 0.27 1.20 2.96 -0.90 -5.00 118.68 115.10 1pcg s LEU 440 Ca 0.13 2.98 -0.00 0.00 -0.22 0.00 0.00 54.13 57.03 1pcg s LEU 440 Cb -0.03 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1pcg s LEU 440 CO 0.80 -0.88 0.47 -1.10 -1.32 0.00 0.00 176.35 174.33 1pcg s GLN 441 N -1.32 3.51 0.28 1.98 -1.52 -1.26 -4.95 119.66 116.38 1pcg s GLN 441 Ca 0.58 -0.33 -0.03 0.00 -1.95 0.00 0.00 55.36 53.62 1pcg s GLN 441 Cb -0.47 -2.75 0.39 0.00 -0.22 0.00 0.00 33.01 29.96 1pcg s GLN 441 CO 0.55 0.28 1.90 0.78 -0.25 0.00 0.00 175.29 178.56 1pcg h GLY 442 N 1.41 1.11 1.12 3.09 0.00 -1.99 0.20 103.07 108.01 1pcg h GLY 442 Ca -0.49 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.31 1pcg h GLY 442 CO 0.64 0.48 0.38 0.83 0.00 0.00 0.00 176.54 178.87 1pcg h GLU 443 N 1.04 1.13 -0.16 4.80 3.07 -1.98 -2.02 114.58 120.47 1pcg h GLU 443 Ca 0.26 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1pcg h GLU 443 Cb 0.03 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1pcg h GLU 443 CO -0.04 0.87 -0.12 0.93 -1.40 0.00 0.00 179.01 179.25 1pcg h GLU 444 N 1.12 0.37 -0.39 2.33 5.08 -1.70 -3.04 114.58 118.36 1pcg h GLU 444 Ca 0.27 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1pcg h GLU 444 Cb 0.12 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 1pcg h GLU 444 CO -0.03 0.72 -0.24 0.35 -1.00 0.00 0.00 179.01 178.81 1pcg h PHE 445 N 0.03 -0.62 0.00 4.33 3.57 -0.30 -0.89 116.94 123.05 1pcg h PHE 445 Ca 0.03 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1pcg h PHE 445 Cb 0.63 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1pcg h PHE 445 CO 0.08 -0.31 -0.17 -0.39 -2.23 0.00 0.00 178.31 175.28 1pcg h VAL 446 N -0.17 0.85 -0.22 1.41 -1.51 -1.41 -1.39 116.25 113.80 1pcg h VAL 446 Ca 0.19 -0.65 -0.16 0.00 -1.23 0.00 0.00 66.70 64.85 1pcg h VAL 446 Cb 0.47 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1pcg h VAL 446 CO -0.49 0.17 -0.51 0.00 -1.23 0.00 0.00 177.57 175.50 1pcg h LEU 448 N 0.49 0.19 -1.06 0.00 3.38 -0.30 -2.15 115.31 115.86 1pcg h LEU 448 Ca 0.02 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.68 1pcg h LEU 448 Cb 1.06 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 1pcg h LEU 448 CO 0.10 0.52 0.63 0.50 0.09 0.00 0.00 178.44 180.28 1pcg h LYS 449 N -0.14 1.11 -0.47 1.13 3.64 -1.31 -0.52 116.57 120.02 1pcg h LYS 449 Ca 0.02 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1pcg h LYS 449 Cb 0.44 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1pcg h LYS 449 CO 0.01 0.73 -0.17 0.77 -2.27 0.00 0.00 179.45 178.52 1pcg h SER 450 N 1.14 0.94 -0.75 4.20 0.02 -1.43 -1.48 113.55 116.18 1pcg h SER 450 Ca 0.41 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1pcg h SER 450 Cb 0.14 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1pcg h SER 450 CO -0.15 1.09 0.46 0.40 -1.14 0.00 0.00 176.83 177.48 1pcg h ILE 451 N 0.81 1.21 0.18 3.27 2.04 -0.62 -1.38 117.51 123.02 1pcg h ILE 451 Ca 0.12 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1pcg h ILE 451 Cb 0.72 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1pcg h ILE 451 CO 0.06 0.22 -0.09 0.40 0.00 0.00 0.00 178.15 178.74 1pcg h ILE 452 N 1.04 0.91 -0.99 -0.67 2.04 -0.59 0.27 117.51 119.52 1pcg h ILE 452 Ca 0.27 -0.48 0.14 0.00 1.00 0.00 0.00 64.86 65.79 1pcg h ILE 452 Cb -0.04 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 1pcg h ILE 452 CO -0.05 0.11 0.62 0.25 0.00 0.00 0.00 178.15 179.08 1pcg h LEU 453 N -0.48 0.85 0.02 1.44 5.85 -0.96 -1.42 115.31 120.60 1pcg h LEU 453 Ca -0.03 0.06 -0.29 0.00 0.84 0.00 0.00 57.88 58.47 1pcg h LEU 453 Cb 0.37 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1pcg h LEU 453 CO 0.04 0.41 -1.60 -0.07 -0.34 0.00 0.00 178.44 176.88 1pcg h LEU 454 N 0.89 0.08 0.04 2.25 3.38 -1.15 -3.40 115.31 117.39 1pcg h LEU 454 Ca 0.51 -0.14 -0.29 0.00 0.09 0.00 0.00 57.88 58.05 1pcg h LEU 454 Cb 0.63 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1pcg h LEU 454 CO -0.28 1.12 -1.57 -1.13 0.09 0.00 0.00 178.44 176.67 1pcg h ASN 455 N 0.01 0.13 -0.51 -0.43 -0.73 -0.26 -3.39 115.58 110.41 1pcg h ASN 455 Ca -0.25 -0.23 0.10 0.00 1.87 0.00 0.00 56.30 57.80 1pcg h ASN 455 Cb 1.98 -0.04 -0.10 0.00 0.27 0.00 0.00 38.32 40.42 1pcg h ASN 455 CO 0.10 1.20 -0.16 0.28 -0.37 0.00 0.00 177.43 178.47 1pcg h SER 456 N 0.02 -0.57 -0.41 1.15 0.02 -1.44 -3.13 113.55 109.18 1pcg h SER 456 Ca -0.24 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1pcg h SER 456 Cb 1.97 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.87 1pcg h SER 456 CO 0.11 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 1pcg n GLY 457 N -1.38 3.00 0.20 -3.77 0.00 -1.26 -4.60 105.19 97.37 1pcg n GLY 457 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1pcg n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pcg h VAL 458 N 2.50 1.31 -0.15 1.61 3.04 -1.74 -2.18 116.25 120.65 1pcg h VAL 458 Ca 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1pcg h VAL 458 Cb 1.00 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1pcg h VAL 458 CO 0.08 0.47 0.00 -1.22 -1.01 0.00 0.00 177.57 175.89 1pcg n TYR 459 N -4.01 0.20 -1.82 3.17 4.01 -1.26 -3.50 117.16 113.95 1pcg n TYR 459 Ca -0.02 -0.10 0.05 0.00 -0.16 0.00 0.00 57.90 57.68 1pcg n TYR 459 Cb 0.50 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.66 1pcg n TYR 459 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1pcg n THR 460 N -0.05 1.35 0.00 -0.72 -2.24 -0.83 -4.99 114.28 106.80 1pcg n THR 460 Ca 0.09 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1pcg n THR 460 Cb 0.17 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1pcg n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pcg n PHE 461 N -0.61 0.00 -1.37 4.78 3.72 -1.19 -5.06 117.46 117.74 1pcg n PHE 461 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1pcg n PHE 461 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 1pcg n PHE 461 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pcg n LEU 462 N 0.00 0.00 -3.16 4.37 4.77 -1.26 -5.14 117.00 116.58 1pcg n LEU 462 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1pcg n LEU 462 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pcg n LEU 462 CO 0.00 0.00 0.13 -0.55 -1.33 0.00 0.00 177.39 175.64 1pcg s SER 464 N 1.36 -1.52 0.74 -1.43 0.15 -1.26 -4.89 113.70 106.85 1pcg s SER 464 Ca 0.00 -0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 1pcg s SER 464 Cb 0.00 1.95 0.10 0.00 -1.71 0.00 0.00 66.02 66.36 1pcg s SER 464 CO 0.00 -0.25 1.04 0.42 1.20 0.00 0.00 173.24 175.65 1pcg s THR 465 N 2.56 2.22 0.29 6.45 -4.23 -1.26 -4.97 115.64 116.71 1pcg s THR 465 Ca 0.13 -0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.39 1pcg s THR 465 Cb -0.08 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 1pcg s THR 465 CO -0.21 0.00 1.65 -0.07 -0.54 0.00 0.00 174.62 175.46 1pcg h LEU 466 N -0.70 0.00 -0.31 4.79 3.38 -2.01 -3.04 115.31 117.43 1pcg h LEU 466 Ca -0.42 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1pcg h LEU 466 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1pcg h LEU 466 CO 0.49 0.57 0.08 0.50 0.09 0.00 0.00 178.44 180.18 1pcg h LYS 467 N 0.00 0.48 -0.28 1.13 1.63 -2.00 -2.81 116.57 114.72 1pcg h LYS 467 Ca -0.01 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1pcg h LYS 467 Cb 1.01 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 1pcg h LYS 467 CO 0.07 0.54 0.18 0.66 -3.45 0.00 0.00 179.45 177.46 1pcg h SER 468 N 0.33 0.32 -0.36 4.20 4.64 -1.89 -1.26 113.55 119.54 1pcg h SER 468 Ca 0.10 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1pcg h SER 468 Cb 0.27 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1pcg h SER 468 CO -0.00 0.23 0.10 -0.07 -0.87 0.00 0.00 176.83 176.23 1pcg h LEU 469 N 0.38 0.53 -0.99 5.97 3.38 -1.47 -0.15 115.31 122.95 1pcg h LEU 469 Ca 0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1pcg h LEU 469 Cb -0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1pcg h LEU 469 CO -0.02 0.61 0.14 -0.33 0.09 0.00 0.00 178.44 178.93 1pcg h GLU 470 N 0.43 0.88 0.48 1.13 4.39 -1.23 -0.40 114.58 120.26 1pcg h GLU 470 Ca 0.12 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1pcg h GLU 470 Cb 0.27 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1pcg h GLU 470 CO -0.00 0.78 -0.23 0.93 -1.16 0.00 0.00 179.01 179.33 1pcg h GLU 471 N 0.84 -0.63 -0.85 2.33 4.39 -0.85 -0.20 114.58 119.61 1pcg h GLU 471 Ca 0.19 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.02 1pcg h GLU 471 Cb 0.30 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 1pcg h GLU 471 CO -0.00 -0.37 0.55 0.87 -1.16 0.00 0.00 179.01 178.90 1pcg h LYS 472 N -0.75 0.80 -0.35 2.33 1.57 -0.88 0.19 116.57 119.48 1pcg h LYS 472 Ca -0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1pcg h LYS 472 Cb 0.55 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1pcg h LYS 472 CO 0.11 0.53 0.18 0.22 -0.57 0.00 0.00 179.45 179.92 1pcg h ASP 473 N 0.83 0.45 -0.14 0.86 3.58 -0.73 -2.01 116.42 119.25 1pcg h ASP 473 Ca 0.39 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.74 1pcg h ASP 473 Cb 0.42 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1pcg h ASP 473 CO -0.16 0.43 0.07 -0.74 -2.88 0.00 0.00 179.24 175.96 1pcg h HIS 474 N 0.44 0.13 -0.39 0.28 2.76 0.26 -2.23 115.15 116.39 1pcg h HIS 474 Ca 0.12 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 1pcg h HIS 474 Cb 0.09 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.96 1pcg h HIS 474 CO -0.02 0.08 0.09 0.82 -1.30 0.00 0.00 177.93 177.60 1pcg h ILE 475 N 0.15 0.81 -0.14 6.26 2.04 -0.85 -1.60 117.51 124.19 1pcg h ILE 475 Ca 0.06 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1pcg h ILE 475 Cb 0.01 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1pcg h ILE 475 CO -0.04 0.04 -0.03 0.45 0.00 0.00 0.00 178.15 178.57 1pcg h HIS 476 N 0.22 0.20 -0.51 1.37 3.86 -1.18 0.08 115.15 119.19 1pcg h HIS 476 Ca 0.19 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 1pcg h HIS 476 Cb 0.21 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1pcg h HIS 476 CO -0.19 0.24 -0.17 0.00 0.86 0.00 0.00 177.93 178.67 1pcg h ARG 477 N 0.20 1.02 -0.18 2.45 3.08 -0.69 -1.53 114.38 118.72 1pcg h ARG 477 Ca 0.05 -0.41 -0.15 0.00 0.07 0.00 0.00 59.98 59.54 1pcg h ARG 477 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1pcg h ARG 477 CO 0.01 1.10 -0.50 0.28 -1.07 0.00 0.00 179.97 179.79 1pcg h VAL 478 N 0.89 1.32 -0.55 2.04 2.07 -0.67 -1.53 116.25 119.83 1pcg h VAL 478 Ca 0.12 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 1pcg h VAL 478 Cb 0.75 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1pcg h VAL 478 CO 0.06 0.53 0.11 -0.07 0.02 0.00 0.00 177.57 178.23 1pcg h LEU 479 N 0.40 0.85 -0.55 2.57 3.38 -0.88 -0.62 115.31 120.44 1pcg h LEU 479 Ca 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1pcg h LEU 479 Cb 1.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1pcg h LEU 479 CO 0.09 0.87 0.25 0.44 0.09 0.00 0.00 178.44 180.18 1pcg h ASP 480 N 0.78 0.74 -0.65 -0.43 3.32 -1.11 -0.87 116.42 118.20 1pcg h ASP 480 Ca 0.17 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.12 1pcg h ASP 480 Cb 0.37 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1pcg h ASP 480 CO 0.01 0.69 0.37 0.50 -1.72 0.00 0.00 179.24 179.08 1pcg h LYS 481 N 0.75 0.67 -0.16 3.56 1.63 -0.97 -0.07 116.57 121.98 1pcg h LYS 481 Ca 0.19 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.86 1pcg h LYS 481 Cb 0.16 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1pcg h LYS 481 CO -0.02 0.44 -0.27 0.82 -3.45 0.00 0.00 179.45 176.98 1pcg h ILE 482 N 0.69 1.25 -0.55 2.00 2.04 -0.57 -1.74 117.51 120.63 1pcg h ILE 482 Ca 0.29 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 1pcg h ILE 482 Cb 0.16 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pcg h ILE 482 CO -0.17 0.37 -0.05 0.74 0.00 0.00 0.00 178.15 179.04 1pcg h THR 483 N 0.27 1.27 -0.76 -0.27 2.02 -0.05 -1.44 112.91 113.96 1pcg h THR 483 Ca 0.04 -1.18 0.09 0.00 0.77 0.00 0.00 66.41 66.13 1pcg h THR 483 Cb 0.62 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 1pcg h THR 483 CO 0.04 0.42 0.41 0.44 0.37 0.00 0.00 175.52 177.20 1pcg h ASP 484 N 0.88 0.57 -0.59 4.18 3.32 -0.44 -1.57 116.42 122.77 1pcg h ASP 484 Ca 0.15 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1pcg h ASP 484 Cb 0.60 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1pcg h ASP 484 CO 0.04 0.33 0.09 0.74 -1.72 0.00 0.00 179.24 178.72 1pcg h THR 485 N 0.70 1.26 -0.26 0.35 2.02 -0.81 -1.06 112.91 115.11 1pcg h THR 485 Ca 0.36 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1pcg h THR 485 Cb 0.34 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1pcg h THR 485 CO -0.25 0.37 0.03 -0.07 0.37 0.00 0.00 175.52 175.98 1pcg h LEU 486 N 0.95 0.41 -0.62 2.58 3.38 -0.50 -1.43 115.31 120.09 1pcg h LEU 486 Ca 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pcg h LEU 486 Cb 0.42 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1pcg h LEU 486 CO 0.01 0.58 0.40 0.40 0.09 0.00 0.00 178.44 179.92 1pcg h ILE 487 N 0.23 1.17 -0.80 1.22 1.08 -1.18 -1.10 117.51 118.13 1pcg h ILE 487 Ca 0.08 -0.34 0.05 0.00 -0.39 0.00 0.00 64.86 64.26 1pcg h ILE 487 Cb 0.35 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 34.32 1pcg h ILE 487 CO 0.01 0.17 0.49 -0.74 -0.69 0.00 0.00 178.15 177.39 1pcg h HIS 488 N 0.84 0.91 -0.32 1.37 2.76 -0.97 0.25 115.15 120.00 1pcg h HIS 488 Ca 0.23 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1pcg h HIS 488 Cb -0.07 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 1pcg h HIS 488 CO -0.03 0.47 0.14 -0.07 -1.30 0.00 0.00 177.93 177.15 1pcg h LEU 489 N 0.91 0.43 -0.91 0.26 3.38 -0.76 -1.75 115.31 116.87 1pcg h LEU 489 Ca 0.35 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1pcg h LEU 489 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1pcg h LEU 489 CO -0.16 0.45 0.08 0.24 0.09 0.00 0.00 178.44 179.14 1pcg h MET 490 N 0.37 0.88 -0.16 1.13 2.86 -0.19 -1.74 114.93 118.09 1pcg h MET 490 Ca 0.11 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1pcg h MET 490 Cb 0.15 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1pcg h MET 490 CO -0.01 0.82 -0.08 0.00 1.06 0.00 0.00 176.91 178.70 1pcg h ALA 491 N 1.25 0.22 -0.06 6.32 0.00 -0.42 -2.40 119.26 124.16 1pcg h ALA 491 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pcg h ALA 491 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pcg h ALA 491 CO 0.01 0.03 0.01 0.87 0.00 0.00 0.00 179.25 180.17 1pcg h LYS 492 N -0.00 0.09 0.00 0.00 1.57 -1.22 0.28 116.57 117.28 1pcg h LYS 492 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pcg h LYS 492 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1pcg h LYS 492 CO 0.02 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1pcg n ALA 493 N -2.52 1.85 -0.26 3.86 0.00 -0.66 -4.90 120.51 117.88 1pcg n ALA 493 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1pcg n ALA 493 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1pcg n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcg n GLY 494 N 0.41 0.86 3.81 0.00 0.00 0.98 -5.08 105.19 106.17 1pcg n GLY 494 Ca 0.04 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1pcg n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pcg s LEU 495 N 0.00 3.91 0.00 0.99 1.43 -0.92 -5.03 118.68 119.06 1pcg s LEU 495 Ca 0.00 1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 54.72 1pcg s LEU 495 Cb 0.00 -4.52 0.31 0.00 0.03 0.00 0.00 46.19 42.01 1pcg s LEU 495 CO 0.00 -0.57 1.11 0.35 0.23 0.00 0.00 176.35 177.47 1pcg n THR 496 N -0.74 0.00 -0.08 5.49 -2.24 -1.26 -4.65 114.28 110.80 1pcg n THR 496 Ca 0.08 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 1pcg n THR 496 Cb 0.53 -1.25 0.11 0.00 -2.10 0.00 0.00 70.33 67.62 1pcg n THR 496 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pcg h LEU 497 N 0.00 0.76 -0.24 3.22 3.38 -2.00 -1.85 115.31 118.59 1pcg h LEU 497 Ca -0.42 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.17 1pcg h LEU 497 Cb 1.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1pcg h LEU 497 CO 0.27 0.94 -0.35 -0.61 0.09 0.00 0.00 178.44 178.79 1pcg h GLN 498 N 0.67 0.67 -0.33 1.13 4.15 -2.00 -2.90 115.11 116.49 1pcg h GLN 498 Ca 0.10 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 59.09 1pcg h GLN 498 Cb 0.68 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1pcg h GLN 498 CO 0.05 1.00 0.04 1.96 -1.93 0.00 0.00 178.83 179.96 1pcg h GLN 499 N 0.38 0.49 0.04 1.69 4.20 -1.88 -2.00 115.11 118.03 1pcg h GLN 499 Ca 0.03 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1pcg h GLN 499 Cb 0.93 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1pcg h GLN 499 CO 0.08 0.49 -0.02 1.96 -0.67 0.00 0.00 178.83 180.67 1pcg h GLN 500 N 0.48 -0.05 -0.31 1.46 4.20 -1.25 -1.11 115.11 118.54 1pcg h GLN 500 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1pcg h GLN 500 Cb 0.25 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1pcg h GLN 500 CO 0.00 0.02 0.14 0.45 -0.67 0.00 0.00 178.83 178.77 1pcg h HIS 501 N -0.11 0.45 -0.48 2.96 3.86 -1.29 -0.90 115.15 119.63 1pcg h HIS 501 Ca -0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1pcg h HIS 501 Cb 0.10 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1pcg h HIS 501 CO -0.06 0.42 0.27 1.96 0.86 0.00 0.00 177.93 181.38 1pcg h GLN 502 N 0.35 0.66 -0.07 2.45 4.20 -1.34 -1.08 115.11 120.28 1pcg h GLN 502 Ca 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1pcg h GLN 502 Cb 0.14 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1pcg h GLN 502 CO -0.01 0.51 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.56 1pcg h ARG 503 N 0.64 0.13 -0.87 1.46 2.43 -1.12 0.84 114.38 117.89 1pcg h ARG 503 Ca 0.17 -0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.47 1pcg h ARG 503 Cb 0.03 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 1pcg h ARG 503 CO -0.03 0.42 0.44 1.25 -1.51 0.00 0.00 179.97 180.53 1pcg h LEU 504 N -0.16 0.49 -0.11 3.80 5.85 -1.05 0.21 115.31 124.34 1pcg h LEU 504 Ca 0.02 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1pcg h LEU 504 Cb 0.36 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1pcg h LEU 504 CO 0.00 0.16 -0.04 0.00 -0.34 0.00 0.00 178.44 178.22 1pcg h ALA 505 N 1.61 0.15 -0.66 1.25 0.00 -0.91 -1.90 119.26 118.80 1pcg h ALA 505 Ca 0.50 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1pcg h ALA 505 Cb 0.79 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1pcg h ALA 505 CO -0.41 -0.09 0.34 1.96 0.00 0.00 0.00 179.25 181.06 1pcg h GLN 506 N -0.12 0.60 -0.06 0.00 4.20 0.93 0.66 115.11 121.32 1pcg h GLN 506 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1pcg h GLN 506 Cb 0.48 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1pcg h GLN 506 CO 0.01 0.40 0.01 -0.07 -0.67 0.00 0.00 178.83 178.51 1pcg h LEU 507 N 0.62 0.09 -1.49 1.46 3.38 -0.63 -2.45 115.31 116.30 1pcg h LEU 507 Ca 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1pcg h LEU 507 Cb 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1pcg h LEU 507 CO -0.22 0.31 0.17 -0.07 0.09 0.00 0.00 178.44 178.72 1pcg h LEU 508 N -0.12 0.45 -0.97 1.67 3.38 -0.94 -1.11 115.31 117.67 1pcg h LEU 508 Ca 0.02 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1pcg h LEU 508 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pcg h LEU 508 CO 0.00 0.40 -0.23 -0.07 0.09 0.00 0.00 178.44 178.63 1pcg h LEU 509 N 0.51 0.48 -1.91 1.67 3.38 -0.73 -2.02 115.31 116.69 1pcg h LEU 509 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1pcg h LEU 509 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1pcg h LEU 509 CO -0.02 0.71 -0.12 0.40 0.09 0.00 0.00 178.44 179.50 1pcg h ILE 510 N 0.43 0.79 -0.42 1.22 2.04 -0.71 -2.24 117.51 118.62 1pcg h ILE 510 Ca 0.07 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1pcg h ILE 510 Cb 0.63 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1pcg h ILE 510 CO 0.05 0.12 0.14 -0.07 0.00 0.00 0.00 178.15 178.38 1pcg h LEU 511 N 0.00 0.55 -0.86 1.44 3.38 -1.15 -1.77 115.31 116.90 1pcg h LEU 511 Ca -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1pcg h LEU 511 Cb 0.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pcg h LEU 511 CO 0.02 0.52 -0.09 0.77 0.09 0.00 0.00 178.44 179.74 1pcg h SER 512 N 0.60 0.00 0.27 -0.43 4.64 -1.47 -0.98 113.55 116.19 1pcg h SER 512 Ca 0.14 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.23 1pcg h SER 512 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1pcg h SER 512 CO -0.01 0.09 -0.97 0.45 -0.87 0.00 0.00 176.83 175.52 1pcg h HIS 513 N 0.00 0.70 -0.28 4.77 3.86 -1.38 -2.31 115.15 120.51 1pcg h HIS 513 Ca -0.00 -0.38 -0.09 0.00 -1.16 0.00 0.00 60.37 58.74 1pcg h HIS 513 Cb 0.77 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 1pcg h HIS 513 CO 0.00 1.21 -0.20 0.82 0.86 0.00 0.00 177.93 180.62 1pcg h ILE 514 N 0.26 1.25 -0.48 2.45 2.04 -0.69 -0.20 117.51 122.15 1pcg h ILE 514 Ca -0.09 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1pcg h ILE 514 Cb 1.61 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 1pcg h ILE 514 CO 0.17 0.38 0.19 -0.09 0.00 0.00 0.00 178.15 178.80 1pcg h ARG 515 N 0.45 0.72 -0.01 2.37 9.65 -1.13 -0.72 114.38 125.72 1pcg h ARG 515 Ca 0.07 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1pcg h ARG 515 Cb 0.61 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1pcg h ARG 515 CO 0.04 0.65 -0.01 1.25 2.80 0.00 0.00 179.97 184.70 1pcg h HIS 516 N 0.64 -0.03 -0.84 2.20 2.76 -0.88 -1.45 115.15 117.55 1pcg h HIS 516 Ca 0.16 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.41 1pcg h HIS 516 Cb 0.20 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.12 1pcg h HIS 516 CO 0.00 -0.02 0.54 0.52 -1.30 0.00 0.00 177.93 177.68 1pcg h MET 517 N -0.02 0.85 -0.24 5.26 2.86 -0.79 -1.55 114.93 121.30 1pcg h MET 517 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1pcg h MET 517 Cb 0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1pcg h MET 517 CO -0.02 0.56 0.16 1.03 1.06 0.00 0.00 176.91 179.70 1pcg h SER 518 N 0.87 0.28 -0.59 1.22 0.87 -0.49 0.20 113.55 115.92 1pcg h SER 518 Ca 0.37 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1pcg h SER 518 Cb 0.31 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1pcg h SER 518 CO -0.14 0.21 0.36 0.78 -0.53 0.00 0.00 176.83 177.52 1pcg h ASN 519 N 0.32 0.69 -0.33 6.23 2.35 -0.34 -0.36 115.58 124.14 1pcg h ASN 519 Ca 0.09 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1pcg h ASN 519 Cb -0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1pcg h ASN 519 CO -0.02 0.53 0.11 0.11 -1.65 0.00 0.00 177.43 176.51 1pcg h LYS 520 N 0.79 0.52 -0.58 0.81 1.79 -1.14 -2.48 116.57 116.28 1pcg h LYS 520 Ca 0.21 -0.11 0.04 0.00 -2.18 0.00 0.00 60.65 58.61 1pcg h LYS 520 Cb -0.04 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 1pcg h LYS 520 CO -0.04 0.55 0.38 0.78 -1.08 0.00 0.00 179.45 180.04 1pcg h GLY 521 N 0.39 0.75 0.75 3.86 0.00 -0.56 0.11 103.07 108.36 1pcg h GLY 521 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1pcg h GLY 521 CO -0.00 0.22 0.00 -0.33 0.00 0.00 0.00 176.54 176.43 1pcg h MET 522 N 0.65 0.15 -0.68 4.80 2.86 -0.81 0.19 114.93 122.09 1pcg h MET 522 Ca 0.24 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1pcg h MET 522 Cb 0.13 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1pcg h MET 522 CO -0.06 0.41 0.39 0.93 1.06 0.00 0.00 176.91 179.64 1pcg h GLU 523 N -0.13 0.72 0.10 1.72 5.08 -0.94 0.54 114.58 121.66 1pcg h GLU 523 Ca 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pcg h GLU 523 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1pcg h GLU 523 CO 0.00 0.48 -0.05 1.25 -1.00 0.00 0.00 179.01 179.69 1pcg h HIS 524 N 0.74 -0.12 -0.52 4.33 2.76 -0.85 -0.45 115.15 121.03 1pcg h HIS 524 Ca 0.30 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.52 1pcg h HIS 524 Cb 0.14 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1pcg h HIS 524 CO -0.07 0.07 0.24 1.25 -1.30 0.00 0.00 177.93 178.13 1pcg h LEU 525 N -0.29 0.33 -0.95 0.26 5.85 -0.59 -0.37 115.31 119.55 1pcg h LEU 525 Ca -0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1pcg h LEU 525 Cb 0.25 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1pcg h LEU 525 CO 0.02 0.22 0.31 0.22 -0.34 0.00 0.00 178.44 178.87 1pcg h TYR 526 N 0.47 1.08 -0.26 1.25 3.20 -0.76 -1.27 116.97 120.68 1pcg h TYR 526 Ca 0.24 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1pcg h TYR 526 Cb 0.18 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1pcg h TYR 526 CO -0.12 0.81 -0.09 0.66 -1.64 0.00 0.00 178.16 177.78 1pcg h SER 527 N 1.05 0.53 -0.10 -2.11 4.64 -0.35 -2.28 113.55 114.94 1pcg h SER 527 Ca 0.25 -0.38 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1pcg h SER 527 Cb 0.17 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1pcg h SER 527 CO -0.02 0.79 0.09 0.24 -0.87 0.00 0.00 176.83 177.06 1pcg h MET 528 N 0.26 0.00 0.00 4.77 2.86 -0.76 0.57 114.93 122.64 1pcg h MET 528 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1pcg h MET 528 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1pcg h MET 528 CO 0.03 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.17 1pcg n LYS 529 N -4.14 0.20 0.02 1.72 4.81 -0.51 -2.08 118.16 118.18 1pcg n LYS 529 Ca -0.01 0.25 -0.15 0.00 -0.87 0.00 0.00 58.31 57.53 1pcg n LYS 529 Cb 0.20 -1.77 -0.14 0.00 0.02 0.00 0.00 35.03 33.34 1pcg n LYS 529 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1pcg h SER 530 N 0.00 0.26 0.77 3.14 0.02 0.48 -3.28 113.55 114.93 1pcg h SER 530 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1pcg h SER 530 Cb 0.57 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1pcg h SER 530 CO 0.00 1.41 0.00 0.29 -1.14 0.00 0.00 176.83 177.39 1pcg n LYS 531 N -3.33 0.05 -3.07 3.45 5.02 -0.75 -4.93 118.16 114.59 1pcg n LYS 531 Ca -0.20 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 1pcg n LYS 531 Cb 1.04 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.60 1pcg n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pcg n ASN 532 N -1.47 -4.01 -0.50 4.39 3.02 -0.89 -4.95 115.26 110.86 1pcg n ASN 532 Ca 0.07 -0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.35 1pcg n ASN 532 Cb 0.27 -3.17 0.16 0.00 -0.61 0.00 0.00 39.78 36.43 1pcg n ASN 532 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1pcg n VAL 533 N -3.72 1.59 -3.98 2.41 0.24 -0.90 -4.94 118.33 109.02 1pcg n VAL 533 Ca -0.03 -1.52 -0.34 0.00 -2.04 0.00 0.00 64.34 60.40 1pcg n VAL 533 Cb 0.55 0.12 -0.15 0.00 -1.47 0.00 0.00 33.84 32.89 1pcg n VAL 533 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1pcg s VAL 534 N -1.95 2.73 0.63 3.34 1.01 -1.26 -4.31 120.40 120.61 1pcg s VAL 534 Ca 0.27 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1pcg s VAL 534 Cb 0.20 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1pcg s VAL 534 CO 0.08 0.21 1.12 -2.65 0.00 0.00 0.00 175.10 173.86 1pcg n PRO 535 N 4.64 0.96 -1.28 2.72 -0.02 -1.26 -4.82 135.00 135.94 1pcg n PRO 535 Ca -0.17 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.31 1pcg n PRO 535 Cb 0.47 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1pcg n PRO 535 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1pcg n LEU 536 N -1.38 6.03 -4.61 2.45 -0.00 -1.26 -4.90 117.00 113.33 1pcg n LEU 536 Ca 0.15 -3.57 -0.43 0.00 -0.00 0.00 0.00 56.01 52.16 1pcg n LEU 536 Cb 0.48 -1.37 -0.02 0.00 -0.00 0.00 0.00 43.42 42.51 1pcg n LEU 536 CO 0.48 0.76 1.17 -0.31 -0.00 0.00 0.00 177.39 179.50 1pcg s TYR 537 N 3.57 2.56 0.18 1.47 2.02 -1.26 -4.94 117.35 120.96 1pcg s TYR 537 Ca 0.53 0.77 -0.21 0.00 -0.37 0.00 0.00 57.07 57.79 1pcg s TYR 537 Cb 0.14 -4.13 0.12 0.00 -0.40 0.00 0.00 41.96 37.69 1pcg s TYR 537 CO -0.01 -1.81 1.59 -0.44 -1.57 0.00 0.00 175.55 173.32 1pcg h ASP 538 N 9.92 -1.08 0.11 2.29 3.32 -2.00 -1.34 116.42 127.65 1pcg h ASP 538 Ca -0.27 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1pcg h ASP 538 Cb 1.10 0.54 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1pcg h ASP 538 CO 1.06 -0.30 -0.05 0.25 -1.72 0.00 0.00 179.24 178.48 1pcg h LEU 539 N -0.17 -0.13 -0.17 1.55 5.85 -1.94 -2.55 115.31 117.76 1pcg h LEU 539 Ca 0.23 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1pcg h LEU 539 Cb 0.54 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1pcg h LEU 539 CO -0.64 0.31 -0.19 0.25 -0.34 0.00 0.00 178.44 177.82 1pcg h LEU 540 N -0.60 -0.60 -0.98 2.25 5.85 -1.86 -0.84 115.31 118.53 1pcg h LEU 540 Ca -0.02 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.94 1pcg h LEU 540 Cb 0.47 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 1pcg h LEU 540 CO 0.03 -0.24 0.60 -0.07 -0.34 0.00 0.00 178.44 178.42 1pcg h LEU 541 N -0.22 0.87 0.28 2.25 3.38 -1.30 0.25 115.31 120.81 1pcg h LEU 541 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1pcg h LEU 541 Cb 0.39 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1pcg h LEU 541 CO -0.30 0.45 -0.13 -0.08 0.09 0.00 0.00 178.44 178.47 1pcg h GLU 542 N 0.94 -0.36 -0.09 1.13 4.81 -0.85 -0.28 114.58 119.88 1pcg h GLU 542 Ca 0.49 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.76 1pcg h GLU 542 Cb 0.51 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1pcg h GLU 542 CO -0.28 -0.20 0.06 0.52 -0.73 0.00 0.00 179.01 178.38 1pcg h MET 543 N -0.42 0.07 0.00 1.92 2.86 -0.49 -0.44 114.93 118.43 1pcg h MET 543 Ca -0.04 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1pcg h MET 543 Cb 0.32 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1pcg h MET 543 CO 0.06 0.05 -0.28 1.25 1.06 0.00 0.00 176.91 179.05 1pcg h LEU 544 N 0.08 0.00 0.00 1.22 5.85 -0.58 -3.15 115.31 118.72 1pcg h LEU 544 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1pcg h LEU 544 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1pcg h LEU 544 CO -0.01 0.28 -0.22 -0.78 -0.34 0.00 0.00 178.44 177.38 1pcg h ASP 545 N 0.00 0.00 -0.37 1.25 1.82 0.63 -3.32 116.42 116.43 1pcg h ASP 545 Ca -0.00 -0.04 0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1pcg h ASP 545 Cb 1.20 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.12 1pcg h ASP 545 CO 0.04 0.02 -0.45 0.00 -1.61 0.00 0.00 179.24 177.23 1pcg h ALA 546 N 2.31 -0.51 0.00 -0.78 0.00 -1.39 -3.51 119.26 115.38 1pcg h ALA 546 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pcg h ALA 546 Cb 0.84 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1pcg h ALA 546 CO 0.00 -0.91 0.00 0.72 0.00 0.00 0.00 179.25 179.06