#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g44 n LEU 306 N 0.00 0.00 -0.13 2.46 -0.00 -1.26 -4.75 117.00 113.32 2g44 n LEU 306 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2g44 n LEU 306 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2g44 n LEU 306 CO 0.00 0.00 0.64 0.00 -0.00 0.00 0.00 177.39 178.03 2g44 h ALA 307 N 0.00 0.69 0.00 1.47 0.00 -1.98 -2.55 119.26 116.90 2g44 h ALA 307 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2g44 h ALA 307 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2g44 h ALA 307 CO 0.00 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.85 2g44 h LEU 308 N 0.79 0.00 -3.75 0.00 -0.00 -1.97 -3.25 115.31 107.13 2g44 h LEU 308 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.67 2g44 h LEU 308 Cb 0.85 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.33 2g44 h LEU 308 CO 0.07 0.00 0.34 -0.24 -0.00 0.00 0.00 178.44 178.62 2g44 n SER 309 N -2.74 4.11 -4.89 -0.43 2.88 -0.96 -4.95 113.62 106.64 2g44 n SER 309 Ca -0.01 -3.42 -0.27 0.00 -1.33 0.00 0.00 58.87 53.84 2g44 n SER 309 Cb 0.16 -0.75 -0.04 0.00 -0.75 0.00 0.00 64.21 62.82 2g44 n SER 309 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2g44 s LEU 310 N -3.13 4.17 0.77 2.46 2.01 -1.23 -5.04 118.68 118.69 2g44 s LEU 310 Ca 0.54 0.10 -0.12 0.00 0.01 0.00 0.00 54.13 54.66 2g44 s LEU 310 Cb 0.44 -2.76 0.05 0.00 0.01 0.00 0.00 46.19 43.94 2g44 s LEU 310 CO 0.11 0.09 1.14 -0.89 1.01 0.00 0.00 176.35 177.80 2g44 s THR 311 N -1.67 2.65 0.11 5.49 2.01 -1.26 -4.86 115.64 118.11 2g44 s THR 311 Ca 0.33 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.28 2g44 s THR 311 Cb -0.11 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 2g44 s THR 311 CO 0.27 -0.28 1.64 0.00 -0.69 0.00 0.00 174.62 175.56 2g44 h ALA 312 N -0.91 -0.43 -0.03 7.40 0.00 -1.97 0.12 119.26 123.44 2g44 h ALA 312 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2g44 h ALA 312 Cb 1.30 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2g44 h ALA 312 CO 0.65 -0.79 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 2g44 n ASP 313 N -5.38 0.76 0.04 0.00 5.68 -1.26 -2.37 116.55 114.01 2g44 n ASP 313 Ca -0.06 -1.34 -0.04 0.00 -0.50 0.00 0.00 54.79 52.85 2g44 n ASP 313 Cb 0.29 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.16 2g44 n ASP 313 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2g44 h GLN 314 N 1.13 0.00 -0.02 0.11 4.20 -1.77 -3.16 115.11 115.60 2g44 h GLN 314 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2g44 h GLN 314 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2g44 h GLN 314 CO 0.00 0.57 -0.00 0.52 -0.67 0.00 0.00 178.83 179.25 2g44 h MET 315 N 0.00 0.03 -0.04 1.46 2.86 -0.61 -2.60 114.93 116.03 2g44 h MET 315 Ca -0.14 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2g44 h MET 315 Cb 1.75 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.38 2g44 h MET 315 CO 0.08 0.35 -0.08 0.28 1.06 0.00 0.00 176.91 178.60 2g44 h VAL 316 N -0.30 0.78 -0.12 -2.22 2.07 -1.63 -1.97 116.25 112.86 2g44 h VAL 316 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2g44 h VAL 316 Cb 0.34 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2g44 h VAL 316 CO 0.00 0.00 -0.09 0.77 0.02 0.00 0.00 177.57 178.28 2g44 h SER 317 N -0.12 -0.28 -0.70 0.57 4.64 -1.62 0.11 113.55 116.15 2g44 h SER 317 Ca 0.05 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.54 2g44 h SER 317 Cb 0.19 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 2g44 h SER 317 CO -0.12 -0.12 0.30 0.00 -0.87 0.00 0.00 176.83 176.02 2g44 h ALA 318 N 1.01 0.97 -0.08 5.18 0.00 -1.22 -0.10 119.26 125.01 2g44 h ALA 318 Ca 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2g44 h ALA 318 Cb 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2g44 h ALA 318 CO -0.18 -0.16 -0.01 -0.07 0.00 0.00 0.00 179.25 178.83 2g44 h LEU 319 N 0.48 0.15 -1.07 0.00 3.38 -0.82 -1.65 115.31 115.77 2g44 h LEU 319 Ca 0.37 -0.33 0.18 0.00 0.09 0.00 0.00 57.88 58.19 2g44 h LEU 319 Cb 0.49 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2g44 h LEU 319 CO -0.34 0.44 0.62 -0.07 0.09 0.00 0.00 178.44 179.18 2g44 h LEU 320 N -0.15 0.77 -0.77 1.67 3.38 -0.16 -0.12 115.31 119.93 2g44 h LEU 320 Ca 0.02 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2g44 h LEU 320 Cb 0.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2g44 h LEU 320 CO 0.01 0.30 -0.47 0.44 0.09 0.00 0.00 178.44 178.80 2g44 h ASP 321 N 0.76 0.00 1.46 -0.43 3.32 -0.84 -3.18 116.42 117.52 2g44 h ASP 321 Ca 0.55 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.52 2g44 h ASP 321 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2g44 h ASP 321 CO -0.33 0.47 -0.41 0.00 -1.72 0.00 0.00 179.24 177.25 2g44 h ALA 322 N 1.53 0.76 -0.59 3.45 0.00 -0.04 -3.47 119.26 120.89 2g44 h ALA 322 Ca -0.00 -0.37 -0.44 0.00 0.00 0.00 0.00 54.91 54.09 2g44 h ALA 322 Cb 1.03 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.80 2g44 h ALA 322 CO 0.06 0.51 -0.11 0.39 0.00 0.00 0.00 179.25 180.10 2g44 n GLU 323 N -3.24 0.00 -1.97 0.00 -0.58 -0.98 -4.76 120.64 109.10 2g44 n GLU 323 Ca 0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.47 2g44 n GLU 323 Cb 0.67 -0.77 0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2g44 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2g44 s PRO 324 N -0.25 2.70 1.08 3.49 0.04 -1.26 -5.06 135.00 135.74 2g44 s PRO 324 Ca 0.47 0.31 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2g44 s PRO 324 Cb -0.67 -2.05 0.24 0.00 0.04 0.00 0.00 34.50 32.06 2g44 s PRO 324 CO 0.34 -1.08 1.22 -1.25 0.04 0.00 0.00 177.00 176.27 2g44 s PRO 325 N -5.34 -0.29 -0.20 0.56 0.04 -1.26 -5.04 135.00 123.48 2g44 s PRO 325 Ca 0.58 -0.27 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 2g44 s PRO 325 Cb -0.11 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2g44 s PRO 325 CO 0.50 -3.06 0.07 0.42 0.04 0.00 0.00 177.00 174.97 2g44 s ILE 326 N -3.48 4.69 0.15 0.56 1.01 -1.26 -5.10 121.20 117.78 2g44 s ILE 326 Ca 0.73 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 2g44 s ILE 326 Cb -0.06 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 2g44 s ILE 326 CO 0.54 0.42 0.36 -0.76 0.00 0.00 0.00 174.94 175.51 2g44 s LEU 327 N 0.74 4.26 0.24 2.97 1.43 -1.26 -5.04 118.68 122.03 2g44 s LEU 327 Ca 0.04 0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2g44 s LEU 327 Cb -0.13 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2g44 s LEU 327 CO 0.02 0.03 0.47 -0.31 0.23 0.00 0.00 176.35 176.79 2g44 s TYR 328 N -1.72 3.48 0.75 0.29 2.02 -1.26 -4.46 117.35 116.46 2g44 s TYR 328 Ca 0.39 0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 57.53 2g44 s TYR 328 Cb -0.12 -1.97 0.12 0.00 -0.40 0.00 0.00 41.96 39.60 2g44 s TYR 328 CO 0.27 0.28 1.05 -1.54 -1.57 0.00 0.00 175.55 174.03 2g44 s SER 329 N -3.18 4.24 -0.26 2.29 1.04 -1.26 -4.98 113.70 111.59 2g44 s SER 329 Ca 0.41 -0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.82 2g44 s SER 329 Cb -0.11 -0.29 0.59 0.00 0.10 0.00 0.00 66.02 66.31 2g44 s SER 329 CO 0.29 -1.94 1.58 -1.84 0.98 0.00 0.00 173.24 172.31 2g44 n GLU 330 N -2.99 3.14 -1.77 4.02 0.00 -1.26 -4.98 120.64 116.79 2g44 n GLU 330 Ca 0.13 -2.40 -0.43 0.00 0.00 0.00 0.00 57.16 54.47 2g44 n GLU 330 Cb 0.60 -2.02 -0.03 0.00 0.00 0.00 0.00 31.44 29.99 2g44 n GLU 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2g44 s TYR 331 N -2.45 1.47 -0.74 -1.84 6.04 -1.26 -4.94 117.35 113.63 2g44 s TYR 331 Ca 0.43 0.15 -0.25 0.00 0.04 0.00 0.00 57.07 57.44 2g44 s TYR 331 Cb 0.35 -4.06 0.05 0.00 -1.04 0.00 0.00 41.96 37.25 2g44 s TYR 331 CO 0.11 -4.36 1.19 0.34 -1.54 0.00 0.00 175.55 171.29 2g44 s ASP 332 N 5.64 6.20 0.36 4.32 2.15 -1.26 -4.89 116.67 129.18 2g44 s ASP 332 Ca 0.88 -0.73 0.26 0.00 0.43 0.00 0.00 52.55 53.39 2g44 s ASP 332 Cb -0.35 -2.51 1.27 0.00 -0.30 0.00 0.00 42.92 41.03 2g44 s ASP 332 CO 0.36 -1.68 1.78 1.55 -0.17 0.00 0.00 175.17 177.01 2g44 h PRO 333 N 9.84 0.00 -0.00 4.34 0.13 -1.94 -0.82 132.00 143.55 2g44 h PRO 333 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2g44 h PRO 333 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2g44 h PRO 333 CO 1.26 0.00 -0.05 0.25 -0.23 0.00 0.00 178.00 179.23 2g44 n THR 334 N -2.41 0.00 -4.22 1.56 -2.24 -1.26 -4.74 114.28 100.97 2g44 n THR 334 Ca -0.00 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 2g44 n THR 334 Cb 0.12 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 2g44 n THR 334 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g44 s ARG 335 N -2.50 3.56 1.25 -0.78 3.03 -0.32 -5.11 118.95 118.08 2g44 s ARG 335 Ca 0.30 -0.56 -0.18 0.00 2.03 0.00 0.00 55.73 57.31 2g44 s ARG 335 Cb 0.20 -2.96 0.31 0.00 -1.03 0.00 0.00 34.95 31.47 2g44 s ARG 335 CO 0.46 0.06 1.02 -1.25 -1.13 0.00 0.00 175.30 174.46 2g44 s PRO 336 N 0.83 -1.61 -0.00 3.89 0.04 -1.26 -4.92 135.00 131.97 2g44 s PRO 336 Ca -0.01 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.31 2g44 s PRO 336 Cb -0.15 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2g44 s PRO 336 CO 0.02 -4.04 0.12 -0.06 0.04 0.00 0.00 177.00 173.08 2g44 s PHE 337 N -2.60 3.39 0.40 0.56 0.40 -1.26 -5.04 117.98 113.83 2g44 s PHE 337 Ca 0.69 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 57.31 2g44 s PHE 337 Cb -0.16 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 2g44 s PHE 337 CO 0.59 0.59 0.09 -1.54 0.70 0.00 0.00 175.22 175.65 2g44 s SER 338 N -1.86 2.89 0.16 1.36 1.04 -1.26 -5.01 113.70 111.01 2g44 s SER 338 Ca 0.25 -1.59 -0.14 0.00 0.48 0.00 0.00 55.95 54.95 2g44 s SER 338 Cb -0.12 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.39 2g44 s SER 338 CO 0.16 -0.83 1.73 -0.08 0.98 0.00 0.00 173.24 175.20 2g44 h GLU 339 N 1.81 0.76 -0.09 4.02 4.81 -1.99 -1.04 114.58 122.86 2g44 h GLU 339 Ca -0.38 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 2g44 h GLU 339 Cb 1.27 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2g44 h GLU 339 CO 0.63 0.64 -0.58 0.00 -0.73 0.00 0.00 179.01 178.97 2g44 h ALA 340 N 1.08 0.85 -0.18 2.92 0.00 -1.97 -2.21 119.26 119.75 2g44 h ALA 340 Ca 0.18 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2g44 h ALA 340 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2g44 h ALA 340 CO -0.02 0.71 -0.49 0.66 0.00 0.00 0.00 179.25 180.11 2g44 h SER 341 N 0.21 0.74 0.00 0.00 4.64 -1.91 -2.33 113.55 114.89 2g44 h SER 341 Ca -0.00 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2g44 h SER 341 Cb 1.08 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2g44 h SER 341 CO 0.09 1.19 0.00 0.23 -0.87 0.00 0.00 176.83 177.47 2g44 n MET 342 N -4.18 0.00 -0.29 4.77 2.00 -0.41 -0.74 117.12 118.27 2g44 n MET 342 Ca -0.07 0.55 -0.01 0.00 0.00 0.00 0.00 57.70 58.17 2g44 n MET 342 Cb 0.59 -1.27 0.06 0.00 0.00 0.00 0.00 33.22 32.59 2g44 n MET 342 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2g44 h MET 343 N 0.00 -0.05 -0.43 0.03 2.86 -1.52 0.16 114.93 115.99 2g44 h MET 343 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 2g44 h MET 343 Cb 0.00 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.58 2g44 h MET 343 CO 0.00 -0.03 -0.34 0.78 1.06 0.00 0.00 176.91 178.38 2g44 h GLY 344 N -0.05 -0.25 0.88 8.32 0.00 -1.32 0.53 103.07 111.18 2g44 h GLY 344 Ca 0.33 0.43 0.01 0.00 0.00 0.00 0.00 47.33 48.10 2g44 h GLY 344 CO -0.85 -0.20 0.05 1.41 0.00 0.00 0.00 176.54 176.95 2g44 h LEU 345 N -0.25 0.06 -0.77 3.11 3.38 0.14 -0.50 115.31 120.49 2g44 h LEU 345 Ca 0.18 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2g44 h LEU 345 Cb 0.54 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2g44 h LEU 345 CO -0.56 0.06 -0.54 -0.07 0.09 0.00 0.00 178.44 177.42 2g44 h LEU 346 N 0.13 0.23 0.10 1.67 3.38 -0.01 -2.40 115.31 118.41 2g44 h LEU 346 Ca 0.07 -0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 2g44 h LEU 346 Cb 0.04 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 40.75 2g44 h LEU 346 CO -0.07 0.73 -1.21 0.71 0.09 0.00 0.00 178.44 178.69 2g44 h THR 347 N 0.16 1.28 -0.68 0.22 1.35 0.14 -2.09 112.91 113.28 2g44 h THR 347 Ca 0.00 -2.41 0.10 0.00 -0.55 0.00 0.00 66.41 63.55 2g44 h THR 347 Cb 1.01 2.63 -0.08 0.00 -1.73 0.00 0.00 68.15 69.98 2g44 h THR 347 CO 0.08 0.74 0.29 -1.13 -0.25 0.00 0.00 175.52 175.25 2g44 h ASN 348 N 0.30 0.33 0.21 5.36 -0.73 -1.04 -0.24 115.58 119.78 2g44 h ASN 348 Ca -0.18 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.06 2g44 h ASN 348 Cb 1.87 0.03 0.00 0.00 0.27 0.00 0.00 38.32 40.50 2g44 h ASN 348 CO 0.23 0.18 -0.10 0.25 -0.37 0.00 0.00 177.43 177.62 2g44 h LEU 349 N 0.49 -0.24 -0.91 0.34 5.85 -1.44 -2.40 115.31 117.00 2g44 h LEU 349 Ca 0.35 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2g44 h LEU 349 Cb 0.43 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 2g44 h LEU 349 CO -0.31 0.11 0.55 0.00 -0.34 0.00 0.00 178.44 178.45 2g44 h ALA 350 N 0.06 1.32 -0.59 1.25 0.00 -1.16 0.94 119.26 121.09 2g44 h ALA 350 Ca -0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2g44 h ALA 350 Cb 0.45 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2g44 h ALA 350 CO 0.05 0.18 0.33 0.22 0.00 0.00 0.00 179.25 180.03 2g44 h ASP 351 N 0.91 0.51 0.41 0.00 1.82 -0.98 0.18 116.42 119.26 2g44 h ASP 351 Ca 0.44 0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.96 2g44 h ASP 351 Cb 0.39 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 2g44 h ASP 351 CO -0.25 0.34 -0.59 0.03 -1.61 0.00 0.00 179.24 177.17 2g44 h ARG 352 N 0.64 0.18 -0.03 0.28 3.08 -0.69 -2.83 114.38 115.01 2g44 h ARG 352 Ca 0.26 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2g44 h ARG 352 Cb 0.12 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2g44 h ARG 352 CO -0.15 0.72 -0.28 0.93 -1.07 0.00 0.00 179.97 180.12 2g44 h GLU 353 N 0.14 0.06 -0.88 0.04 5.08 -0.24 -3.15 114.58 115.63 2g44 h GLU 353 Ca -0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2g44 h GLU 353 Cb 1.08 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2g44 h GLU 353 CO 0.09 0.34 0.58 -0.07 -1.00 0.00 0.00 179.01 178.95 2g44 h LEU 354 N 0.06 0.95 -0.64 1.33 4.07 -0.71 -2.15 115.31 118.20 2g44 h LEU 354 Ca 0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2g44 h LEU 354 Cb 0.53 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 2g44 h LEU 354 CO 0.04 0.66 0.08 0.58 -1.08 0.00 0.00 178.44 178.71 2g44 h VAL 355 N 1.10 1.26 -0.38 1.22 2.07 -1.64 -2.59 116.25 117.30 2g44 h VAL 355 Ca 0.35 -1.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.64 2g44 h VAL 355 Cb 0.01 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2g44 h VAL 355 CO -0.10 0.40 -0.40 0.45 0.02 0.00 0.00 177.57 177.94 2g44 h HIS 356 N 1.00 1.11 -0.18 1.57 3.86 -1.56 -2.72 115.15 118.23 2g44 h HIS 356 Ca 0.19 -0.34 -0.11 0.00 -1.16 0.00 0.00 60.37 58.96 2g44 h HIS 356 Cb 0.47 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2g44 h HIS 356 CO 0.03 1.16 -0.37 0.00 0.86 0.00 0.00 177.93 179.62 2g44 h MET 357 N 0.75 0.39 -0.09 2.45 3.00 -1.30 0.25 114.93 120.38 2g44 h MET 357 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 59.70 59.58 2g44 h MET 357 Cb 0.99 -0.01 -0.00 0.00 0.00 0.00 0.00 31.60 32.58 2g44 h MET 357 CO 0.10 0.71 0.05 0.82 0.00 0.00 0.00 176.91 178.58 2g44 h ILE 358 N 0.33 1.11 0.00 -0.10 2.04 -1.43 0.56 117.51 120.02 2g44 h ILE 358 Ca 0.04 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2g44 h ILE 358 Cb 0.80 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2g44 h ILE 358 CO 0.06 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.90 2g44 n ASN 359 N -4.96 0.00 0.02 1.72 4.13 -0.81 -1.93 115.26 113.43 2g44 n ASN 359 Ca -0.06 0.45 -0.22 0.00 1.68 0.00 0.00 54.58 56.43 2g44 n ASN 359 Cb 0.08 -0.47 -0.14 0.00 -1.54 0.00 0.00 39.78 37.71 2g44 n ASN 359 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 2g44 h TRP 360 N 0.00 0.54 -0.25 3.10 7.01 0.49 -3.36 115.95 123.48 2g44 h TRP 360 Ca 0.00 -0.39 0.01 0.00 2.11 0.00 0.00 58.89 60.62 2g44 h TRP 360 Cb 0.26 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2g44 h TRP 360 CO 0.00 1.74 0.17 0.00 -2.79 0.00 0.00 178.44 177.55 2g44 h ALA 361 N 0.06 1.87 0.00 2.65 0.00 0.77 -0.89 119.26 123.72 2g44 h ALA 361 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2g44 h ALA 361 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2g44 h ALA 361 CO 0.10 0.10 0.00 0.87 0.00 0.00 0.00 179.25 180.33 2g44 h LYS 362 N 0.29 0.00 -0.47 0.00 1.57 -1.56 -2.88 116.57 113.51 2g44 h LYS 362 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2g44 h LYS 362 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2g44 h LYS 362 CO -0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.40 2g44 n ARG 363 N -2.74 2.98 -3.42 3.15 1.74 -0.35 -4.59 116.66 113.43 2g44 n ARG 363 Ca 0.01 -2.41 -0.39 0.00 -0.77 0.00 0.00 57.85 54.29 2g44 n ARG 363 Cb 0.26 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.11 2g44 n ARG 363 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2g44 s VAL 364 N -1.34 5.19 -0.09 1.55 0.11 -1.09 -4.84 120.40 119.90 2g44 s VAL 364 Ca 0.36 0.53 -0.41 0.00 -2.93 0.00 0.00 61.98 59.53 2g44 s VAL 364 Cb 0.21 -3.68 -0.19 0.00 -1.53 0.00 0.00 36.38 31.19 2g44 s VAL 364 CO 0.20 0.18 1.25 -2.65 -3.33 0.00 0.00 175.10 170.75 2g44 n PRO 365 N 5.22 0.26 0.00 1.54 -0.02 -1.26 -1.75 135.00 138.99 2g44 n PRO 365 Ca -0.09 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2g44 n PRO 365 Cb 0.51 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2g44 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g44 n GLY 366 N 2.28 2.87 0.20 -1.23 0.00 -1.26 -4.89 105.19 103.16 2g44 n GLY 366 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2g44 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2g44 h PHE 367 N 0.00 0.59 0.00 1.61 3.04 -1.63 -1.90 116.94 118.65 2g44 h PHE 367 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2g44 h PHE 367 Cb 0.00 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.31 2g44 h PHE 367 CO 0.00 0.36 0.00 -0.24 -2.02 0.00 0.00 178.31 176.41 2g44 h VAL 368 N 0.63 0.00 0.00 1.41 3.04 -1.81 -1.75 116.25 117.77 2g44 h VAL 368 Ca 0.18 -0.42 -0.05 0.00 -1.01 0.00 0.00 66.70 65.41 2g44 h VAL 368 Cb -0.05 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2g44 h VAL 368 CO -0.05 0.00 -0.22 0.44 -1.01 0.00 0.00 177.57 176.72 2g44 h ASP 369 N 0.00 0.00 -4.11 3.17 3.32 -1.73 -3.45 116.42 113.62 2g44 h ASP 369 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2g44 h ASP 369 Cb 0.44 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.02 2g44 h ASP 369 CO 0.00 0.22 0.37 -0.76 -1.72 0.00 0.00 179.24 177.36 2g44 s LEU 370 N -6.67 3.76 0.79 1.55 1.02 -0.66 -5.01 118.68 113.47 2g44 s LEU 370 Ca 0.01 1.81 -0.14 0.00 0.02 0.00 0.00 54.13 55.84 2g44 s LEU 370 Cb 0.10 -4.54 0.08 0.00 0.02 0.00 0.00 46.19 41.84 2g44 s LEU 370 CO 0.64 -0.76 1.21 0.42 0.02 0.00 0.00 176.35 177.89 2g44 s THR 371 N -2.20 2.06 0.17 5.49 -4.23 -1.26 -4.73 115.64 110.94 2g44 s THR 371 Ca 0.64 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 61.04 2g44 s THR 371 Cb -0.14 -2.47 0.07 0.00 1.34 0.00 0.00 72.50 71.30 2g44 s THR 371 CO 0.24 -0.02 1.73 0.25 -0.54 0.00 0.00 174.62 176.28 2g44 h LEU 372 N -0.80 0.07 -1.16 4.79 7.12 -1.94 -0.61 115.31 122.78 2g44 h LEU 372 Ca -0.47 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 57.57 2g44 h LEU 372 Cb 1.30 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.48 2g44 h LEU 372 CO 0.47 0.07 0.13 -0.74 -0.13 0.00 0.00 178.44 178.24 2g44 h HIS 373 N 0.27 0.73 -0.09 1.25 2.76 -2.00 -0.89 115.15 117.18 2g44 h HIS 373 Ca 0.21 -0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 2g44 h HIS 373 Cb 0.25 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2g44 h HIS 373 CO -0.19 0.61 -0.51 -0.44 -1.30 0.00 0.00 177.93 176.11 2g44 h ASP 374 N 0.70 0.25 -0.34 3.26 3.45 -1.73 -2.49 116.42 119.52 2g44 h ASP 374 Ca 0.16 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 2g44 h ASP 374 Cb 0.24 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 2g44 h ASP 374 CO -0.00 0.72 0.00 1.56 -1.57 0.00 0.00 179.24 179.94 2g44 h GLN 375 N 0.18 0.59 -0.42 3.56 4.20 -0.41 -2.27 115.11 120.53 2g44 h GLN 375 Ca 0.01 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.57 2g44 h GLN 375 Cb 0.96 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 2g44 h GLN 375 CO 0.08 0.72 0.19 0.28 -0.67 0.00 0.00 178.83 179.42 2g44 h VAL 376 N 0.40 0.93 -0.03 -0.54 2.07 -1.15 -2.25 116.25 115.69 2g44 h VAL 376 Ca 0.10 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2g44 h VAL 376 Cb 0.45 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2g44 h VAL 376 CO 0.02 0.07 0.01 -0.74 0.02 0.00 0.00 177.57 176.95 2g44 h HIS 377 N 0.39 0.03 -0.69 1.57 -0.00 -1.34 -0.72 115.15 114.38 2g44 h HIS 377 Ca 0.19 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.62 2g44 h HIS 377 Cb 0.13 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.47 2g44 h HIS 377 CO -0.12 0.09 0.39 -0.07 -0.00 0.00 0.00 177.93 178.23 2g44 h LEU 378 N -0.03 0.59 -0.44 0.26 3.38 -1.28 -2.70 115.31 115.09 2g44 h LEU 378 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2g44 h LEU 378 Cb 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2g44 h LEU 378 CO -0.00 0.38 0.14 -0.07 0.09 0.00 0.00 178.44 178.98 2g44 h LEU 379 N 0.72 0.64 -1.31 1.67 -0.00 -1.17 -1.96 115.31 113.91 2g44 h LEU 379 Ca 0.31 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2g44 h LEU 379 Cb 0.18 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2g44 h LEU 379 CO -0.18 0.67 0.00 -0.62 -0.00 0.00 0.00 178.44 178.31 2g44 n GLU 380 N -4.56 0.01 0.00 1.13 1.02 -0.30 -1.33 120.64 116.61 2g44 n GLU 380 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2g44 n GLU 380 Cb 0.18 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2g44 n GLU 380 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g44 n ALA 382 N 0.65 0.00 -0.33 0.62 0.00 -0.74 -4.80 120.51 115.91 2g44 n ALA 382 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2g44 n ALA 382 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 2g44 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2g44 h TRP 383 N 0.00 0.88 0.00 0.00 5.08 -1.45 0.08 115.95 120.54 2g44 h TRP 383 Ca 0.00 0.04 -0.17 0.00 1.08 0.00 0.00 58.89 59.84 2g44 h TRP 383 Cb 0.00 -0.23 -0.03 0.00 -3.00 0.00 0.00 29.16 25.90 2g44 h TRP 383 CO 0.00 -0.06 -1.04 1.25 -1.28 0.00 0.00 178.44 177.31 2g44 h LEU 384 N 0.44 0.00 -0.52 0.11 5.85 -1.91 -1.10 115.31 118.17 2g44 h LEU 384 Ca 0.65 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.36 2g44 h LEU 384 Cb 1.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2g44 h LEU 384 CO -0.54 0.70 0.27 -0.33 -0.34 0.00 0.00 178.44 178.19 2g44 h GLU 385 N 0.00 0.73 -0.24 1.25 5.08 -1.35 0.24 114.58 120.29 2g44 h GLU 385 Ca -0.09 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2g44 h GLU 385 Cb 1.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2g44 h GLU 385 CO 0.08 0.59 -0.08 0.82 -1.00 0.00 0.00 179.01 179.41 2g44 h ILE 386 N 0.69 1.29 -0.52 3.13 2.04 -1.14 -0.42 117.51 122.58 2g44 h ILE 386 Ca 0.18 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 64.97 2g44 h ILE 386 Cb 0.08 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 2g44 h ILE 386 CO -0.03 0.35 0.25 -0.07 0.00 0.00 0.00 178.15 178.66 2g44 h LEU 387 N 0.21 0.35 -0.35 1.44 4.07 -1.09 -2.43 115.31 117.51 2g44 h LEU 387 Ca 0.06 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2g44 h LEU 387 Cb 0.57 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2g44 h LEU 387 CO 0.03 0.24 0.12 0.24 -1.08 0.00 0.00 178.44 177.99 2g44 h MET 388 N 0.49 0.55 -0.04 1.13 2.86 -0.14 -1.03 114.93 118.75 2g44 h MET 388 Ca 0.23 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 2g44 h MET 388 Cb 0.16 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2g44 h MET 388 CO -0.17 0.56 -0.60 0.97 1.06 0.00 0.00 176.91 178.73 2g44 h ILE 389 N 0.42 1.40 -0.11 -1.22 2.10 -1.08 0.82 117.51 119.84 2g44 h ILE 389 Ca 0.12 -1.99 0.03 0.00 1.08 0.00 0.00 64.86 64.09 2g44 h ILE 389 Cb 0.23 2.03 -0.03 0.00 -1.09 0.00 0.00 36.82 37.97 2g44 h ILE 389 CO -0.01 0.58 -0.05 1.23 -1.08 0.00 0.00 178.15 178.82 2g44 h GLY 390 N 1.59 0.05 0.63 8.18 0.00 -1.26 0.89 103.07 113.15 2g44 h GLY 390 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.43 2g44 h GLY 390 CO 0.09 -0.07 -0.01 -2.00 0.00 0.00 0.00 176.54 174.55 2g44 h LEU 391 N -0.04 -0.10 -1.40 3.11 5.85 -0.65 -0.85 115.31 121.22 2g44 h LEU 391 Ca 0.06 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2g44 h LEU 391 Cb 0.14 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2g44 h LEU 391 CO -0.14 -0.02 0.45 0.58 -0.34 0.00 0.00 178.44 178.97 2g44 h VAL 392 N 0.06 1.05 -0.18 1.05 2.07 -0.64 -2.12 116.25 117.54 2g44 h VAL 392 Ca 0.11 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 2g44 h VAL 392 Cb 0.14 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2g44 h VAL 392 CO -0.19 0.14 -0.35 -0.25 0.02 0.00 0.00 177.57 176.94 2g44 h TRP 393 N 0.75 0.70 0.00 1.57 2.91 0.40 -2.82 115.95 119.46 2g44 h TRP 393 Ca 0.29 -0.25 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 2g44 h TRP 393 Cb 0.17 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 2g44 h TRP 393 CO -0.00 0.99 -0.21 0.00 -1.03 0.00 0.00 178.44 178.19 2g44 h ARG 394 N 0.22 0.00 0.00 2.65 3.08 -0.78 -2.85 114.38 116.70 2g44 h ARG 394 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2g44 h ARG 394 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2g44 h ARG 394 CO 0.08 0.21 -0.49 0.43 -1.07 0.00 0.00 179.97 179.13 2g44 n SER 395 N -3.99 0.50 -0.33 7.04 7.64 -0.84 -4.44 113.62 119.21 2g44 n SER 395 Ca -0.02 -0.07 0.20 0.00 1.01 0.00 0.00 58.87 59.98 2g44 n SER 395 Cb 0.29 0.15 0.38 0.00 -1.01 0.00 0.00 64.21 64.03 2g44 n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2g44 h MET 396 N 0.00 0.07 -0.64 1.43 -1.53 -1.25 0.75 114.93 113.75 2g44 h MET 396 Ca 0.00 -0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.17 2g44 h MET 396 Cb 0.57 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.55 2g44 h MET 396 CO 0.00 0.05 0.11 -0.85 0.14 0.00 0.00 176.91 176.36 2g44 n GLU 397 N -5.34 4.41 -3.43 0.39 0.28 -1.26 -4.50 120.64 111.19 2g44 n GLU 397 Ca 0.27 -3.14 -0.26 0.00 -0.16 0.00 0.00 57.16 53.87 2g44 n GLU 397 Cb 0.90 -2.25 -0.08 0.00 1.43 0.00 0.00 31.44 31.44 2g44 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2g44 n HIS 398 N 0.28 2.46 -1.62 -1.84 8.25 0.26 -5.10 115.22 117.91 2g44 n HIS 398 Ca 0.33 -4.00 -0.48 0.00 -0.26 0.00 0.00 57.72 53.31 2g44 n HIS 398 Cb 1.28 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 31.87 2g44 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2g44 n PRO 399 N 1.22 1.57 -0.88 -0.41 -0.02 -1.26 -0.45 135.00 134.78 2g44 n PRO 399 Ca 0.27 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2g44 n PRO 399 Cb 0.43 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2g44 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g44 n GLY 400 N 2.60 0.59 3.31 -1.23 0.00 -1.26 -4.99 105.19 104.21 2g44 n GLY 400 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2g44 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g44 s LYS 401 N -0.41 1.57 -0.29 1.61 3.01 0.40 -3.64 119.74 121.99 2g44 s LYS 401 Ca 0.00 -1.08 -0.07 0.00 -1.01 0.00 0.00 55.97 53.81 2g44 s LYS 401 Cb 0.00 -1.76 0.01 0.00 -1.01 0.00 0.00 37.83 35.06 2g44 s LYS 401 CO 0.00 0.45 0.08 -0.51 0.51 0.00 0.00 175.35 175.88 2g44 s LEU 402 N -1.34 3.84 -1.17 3.17 1.43 0.16 -4.79 118.68 119.98 2g44 s LEU 402 Ca 0.10 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 2g44 s LEU 402 Cb -0.10 -1.89 0.16 0.00 0.03 0.00 0.00 46.19 44.40 2g44 s LEU 402 CO 0.02 -0.19 1.40 -0.22 0.23 0.00 0.00 176.35 177.60 2g44 s LEU 403 N 1.51 5.00 0.36 1.79 0.20 -1.26 0.63 118.68 126.91 2g44 s LEU 403 Ca 0.03 -2.85 0.10 0.00 0.69 0.00 0.00 54.13 52.10 2g44 s LEU 403 Cb -0.17 -2.41 0.70 0.00 -0.43 0.00 0.00 46.19 43.88 2g44 s LEU 403 CO 0.03 -0.81 1.84 -0.26 -0.29 0.00 0.00 176.35 176.86 2g44 h PHE 404 N 7.40 0.14 -1.84 5.38 -1.00 -1.65 -3.44 116.94 121.93 2g44 h PHE 404 Ca 0.30 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 2g44 h PHE 404 Cb 0.89 -0.04 -0.20 0.00 3.61 0.00 0.00 35.95 40.21 2g44 h PHE 404 CO 1.12 0.42 0.33 0.00 -1.61 0.00 0.00 178.31 178.57 2g44 s ALA 405 N -4.37 -1.83 0.58 2.45 0.00 -0.81 -4.93 121.76 112.85 2g44 s ALA 405 Ca -0.04 1.41 0.31 0.00 0.00 0.00 0.00 51.96 53.64 2g44 s ALA 405 Cb 0.15 -0.26 1.34 0.00 0.00 0.00 0.00 23.12 24.34 2g44 s ALA 405 CO 0.74 -0.35 1.67 -1.35 0.00 0.00 0.00 175.76 176.46 2g44 h PRO 406 N 2.80 0.00 -0.03 0.00 0.11 -1.87 0.97 132.00 133.99 2g44 h PRO 406 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2g44 h PRO 406 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2g44 h PRO 406 CO 0.36 0.00 -0.01 0.27 -0.21 0.00 0.00 178.00 178.41 2g44 n ASN 407 N -3.67 2.71 -3.68 -2.05 2.04 -1.26 -4.73 115.26 104.62 2g44 n ASN 407 Ca 0.19 -1.86 -0.29 0.00 -0.44 0.00 0.00 54.58 52.18 2g44 n ASN 407 Cb 1.15 0.01 -0.12 0.00 -2.53 0.00 0.00 39.78 38.29 2g44 n ASN 407 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 2g44 s LEU 408 N -1.74 2.72 -0.37 -4.53 2.96 0.34 -4.94 118.68 113.12 2g44 s LEU 408 Ca 0.24 -2.84 -0.07 0.00 -0.22 0.00 0.00 54.13 51.24 2g44 s LEU 408 Cb 0.17 -1.00 0.06 0.00 0.50 0.00 0.00 46.19 45.92 2g44 s LEU 408 CO 0.27 -0.23 0.16 -0.22 -1.32 0.00 0.00 176.35 175.00 2g44 s LEU 409 N 0.09 4.65 -0.23 -0.68 2.96 -1.24 -1.58 118.68 122.65 2g44 s LEU 409 Ca 0.21 -1.36 -0.11 0.00 -0.22 0.00 0.00 54.13 52.65 2g44 s LEU 409 Cb -0.17 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2g44 s LEU 409 CO -0.05 -0.41 0.18 -0.76 -1.32 0.00 0.00 176.35 173.99 2g44 s LEU 410 N 1.37 4.13 0.44 -0.68 1.02 0.20 -4.86 118.68 120.30 2g44 s LEU 410 Ca 0.01 0.17 -0.22 0.00 0.02 0.00 0.00 54.13 54.10 2g44 s LEU 410 Cb -0.21 -2.14 -0.09 0.00 0.02 0.00 0.00 46.19 43.77 2g44 s LEU 410 CO 0.02 0.07 1.03 -0.62 0.02 0.00 0.00 176.35 176.87 2g44 s ASP 411 N 0.97 6.60 0.52 2.29 3.68 -1.26 0.40 116.67 129.87 2g44 s ASP 411 Ca 0.09 1.96 0.17 0.00 2.13 0.00 0.00 52.55 56.90 2g44 s ASP 411 Cb -0.13 -2.57 1.31 0.00 -1.45 0.00 0.00 42.92 40.08 2g44 s ASP 411 CO 0.04 -0.60 2.15 0.08 0.13 0.00 0.00 175.17 176.97 2g44 h ARG 412 N 2.04 0.00 0.00 4.34 -0.00 -1.97 -0.76 114.38 118.04 2g44 h ARG 412 Ca -0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.43 2g44 h ARG 412 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.17 2g44 h ARG 412 CO 0.61 0.01 -0.31 -0.97 -0.00 0.00 0.00 179.97 179.30 2g44 h ASN 413 N 0.00 0.00 1.20 0.08 -0.00 -1.92 -2.48 115.58 112.46 2g44 h ASN 413 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.25 2g44 h ASN 413 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.33 2g44 h ASN 413 CO 0.00 0.31 -0.23 1.56 -0.00 0.00 0.00 177.43 179.07 2g44 h GLN 414 N 0.00 0.00 -0.00 6.67 4.20 -1.51 -3.11 115.11 121.36 2g44 h GLN 414 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2g44 h GLN 414 Cb 0.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2g44 h GLN 414 CO 0.04 0.23 0.10 0.78 -0.67 0.00 0.00 178.83 179.32 2g44 h GLY 415 N 2.63 0.00 -5.23 3.46 0.00 -1.38 -3.40 103.07 99.14 2g44 h GLY 415 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 2g44 h GLY 415 CO 0.03 0.00 2.51 0.28 0.00 0.00 0.00 176.54 179.36 2g44 n LYS 416 N -3.03 2.27 0.00 4.80 5.02 -1.18 -3.88 118.16 122.16 2g44 n LYS 416 Ca -0.03 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 2g44 n LYS 416 Cb 0.17 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 2g44 n LYS 416 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2g44 n VAL 418 N 3.92 0.00 -2.18 -0.18 0.31 -1.26 -4.91 118.33 114.02 2g44 n VAL 418 Ca 0.48 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.39 2g44 n VAL 418 Cb 0.20 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.10 2g44 n VAL 418 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2g44 s GLU 419 N 0.00 4.32 0.00 5.55 2.12 -1.26 -2.57 118.70 126.85 2g44 s GLU 419 Ca 0.00 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2g44 s GLU 419 Cb 0.00 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2g44 s GLU 419 CO 0.00 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.68 2g44 n GLY 420 N 3.51 2.64 0.25 -1.50 0.00 -1.26 -4.87 105.19 103.96 2g44 n GLY 420 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 2g44 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2g44 h MET 421 N 2.15 0.00 -0.47 1.61 -1.53 -1.72 -3.31 114.93 111.65 2g44 h MET 421 Ca 0.00 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 2g44 h MET 421 Cb 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 2g44 h MET 421 CO 0.00 0.00 -0.03 -0.24 0.14 0.00 0.00 176.91 176.78 2g44 h VAL 422 N 0.00 1.25 -0.42 -5.77 3.04 -1.75 -2.40 116.25 110.19 2g44 h VAL 422 Ca 0.00 -1.05 0.02 0.00 -1.01 0.00 0.00 66.70 64.66 2g44 h VAL 422 Cb 0.68 0.92 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 2g44 h VAL 422 CO 0.00 0.37 0.25 -0.33 -1.01 0.00 0.00 177.57 176.85 2g44 h GLU 423 N 0.74 0.49 -0.77 4.17 3.07 -1.95 -2.36 114.58 117.97 2g44 h GLU 423 Ca 0.14 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2g44 h GLU 423 Cb 0.49 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 2g44 h GLU 423 CO 0.02 0.32 0.40 0.82 -1.40 0.00 0.00 179.01 179.18 2g44 h ILE 424 N 0.50 1.23 -0.78 3.13 5.03 -1.65 -2.03 117.51 122.94 2g44 h ILE 424 Ca 0.17 -0.61 -0.03 0.00 -0.12 0.00 0.00 64.86 64.27 2g44 h ILE 424 Cb 0.01 0.21 -0.04 0.00 -3.03 0.00 0.00 36.82 33.98 2g44 h ILE 424 CO -0.08 0.27 0.39 -0.26 -0.68 0.00 0.00 178.15 177.79 2g44 h PHE 425 N 1.08 1.11 -0.59 1.37 0.05 -1.20 -1.36 116.94 117.40 2g44 h PHE 425 Ca 0.27 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.96 2g44 h PHE 425 Cb 0.06 -0.35 -0.02 0.00 2.00 0.00 0.00 35.95 37.64 2g44 h PHE 425 CO 0.01 0.80 0.17 -0.44 -0.18 0.00 0.00 178.31 178.68 2g44 h ASP 426 N 1.10 0.88 -0.14 2.17 3.45 -0.86 0.30 116.42 123.32 2g44 h ASP 426 Ca 0.27 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 2g44 h ASP 426 Cb 0.10 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 2g44 h ASP 426 CO -0.04 0.86 0.02 0.24 -1.57 0.00 0.00 179.24 178.76 2g44 h MET 427 N 0.85 0.24 -0.78 3.56 2.86 -1.30 -0.70 114.93 119.66 2g44 h MET 427 Ca 0.19 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2g44 h MET 427 Cb 0.31 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2g44 h MET 427 CO -0.00 0.42 0.51 -0.07 1.06 0.00 0.00 176.91 178.83 2g44 h LEU 428 N 0.02 0.88 -0.34 1.22 3.38 -0.99 -0.76 115.31 118.72 2g44 h LEU 428 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2g44 h LEU 428 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2g44 h LEU 428 CO 0.00 0.63 0.05 -0.07 0.09 0.00 0.00 178.44 179.14 2g44 h LEU 429 N 1.03 0.54 -0.83 1.67 3.38 -0.23 -2.19 115.31 118.69 2g44 h LEU 429 Ca 0.29 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2g44 h LEU 429 Cb -0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2g44 h LEU 429 CO -0.07 0.67 0.55 0.00 0.09 0.00 0.00 178.44 179.68 2g44 h ALA 430 N 0.89 1.05 -0.41 1.53 0.00 -0.47 0.20 119.26 122.04 2g44 h ALA 430 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2g44 h ALA 430 Cb 0.36 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2g44 h ALA 430 CO 0.01 0.45 0.19 1.15 0.00 0.00 0.00 179.25 181.05 2g44 h THR 431 N 1.12 1.19 -0.81 0.00 2.02 -1.10 0.32 112.91 115.65 2g44 h THR 431 Ca 0.30 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2g44 h THR 431 Cb -0.13 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2g44 h THR 431 CO -0.07 0.20 0.52 -1.28 0.37 0.00 0.00 175.52 175.27 2g44 h SER 432 N 0.53 0.94 -0.32 4.18 0.87 -0.88 0.28 113.55 119.14 2g44 h SER 432 Ca 0.14 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2g44 h SER 432 Cb 0.15 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 2g44 h SER 432 CO -0.02 0.69 0.07 0.28 -0.53 0.00 0.00 176.83 177.33 2g44 h SER 433 N 1.09 0.04 -0.11 6.23 0.02 0.03 -2.09 113.55 118.77 2g44 h SER 433 Ca 0.29 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.32 2g44 h SER 433 Cb -0.10 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2g44 h SER 433 CO -0.06 0.06 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.54 2g44 h ARG 434 N 0.19 -0.05 -0.94 3.45 9.65 0.61 0.88 114.38 128.18 2g44 h ARG 434 Ca 0.15 0.00 0.21 0.00 -1.10 0.00 0.00 59.98 59.24 2g44 h ARG 434 Cb 0.15 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.67 2g44 h ARG 434 CO -0.19 -0.03 0.61 0.74 2.80 0.00 0.00 179.97 183.90 2g44 h PHE 435 N -0.05 0.63 -0.01 2.20 0.05 -0.82 -0.67 116.94 118.28 2g44 h PHE 435 Ca 0.06 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 2g44 h PHE 435 Cb 0.14 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 37.90 2g44 h PHE 435 CO -0.18 0.15 -0.04 -0.09 -0.18 0.00 0.00 178.31 177.97 2g44 h ARG 436 N 0.46 0.04 -0.70 1.51 2.43 -0.36 0.15 114.38 117.90 2g44 h ARG 436 Ca 0.50 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.78 2g44 h ARG 436 Cb 1.17 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.60 2g44 h ARG 436 CO -0.22 0.70 -0.20 0.52 -1.51 0.00 0.00 179.97 179.26 2g44 h MET 437 N -0.61 -0.02 0.00 0.20 2.86 -0.32 -0.48 114.93 116.56 2g44 h MET 437 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2g44 h MET 437 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2g44 h MET 437 CO 0.01 -0.01 0.00 -1.33 1.06 0.00 0.00 176.91 176.63 2g44 n MET 438 N -5.47 0.12 -3.52 1.72 2.81 -0.31 -4.94 117.12 107.53 2g44 n MET 438 Ca 0.09 0.12 -0.19 0.00 -1.81 0.00 0.00 57.70 55.91 2g44 n MET 438 Cb 0.36 -1.64 0.07 0.00 -0.71 0.00 0.00 33.22 31.30 2g44 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2g44 n ASN 439 N -1.85 -1.93 -4.65 7.83 5.15 0.35 -4.89 115.26 115.26 2g44 n ASN 439 Ca 0.06 -0.68 -0.44 0.00 -0.60 0.00 0.00 54.58 52.92 2g44 n ASN 439 Cb 0.36 -4.81 -0.02 0.00 -0.53 0.00 0.00 39.78 34.79 2g44 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2g44 n LEU 440 N -4.20 2.84 -4.90 1.20 7.94 -0.25 -5.00 117.00 114.64 2g44 n LEU 440 Ca -0.28 1.18 -0.26 0.00 -1.11 0.00 0.00 56.01 55.54 2g44 n LEU 440 Cb 0.67 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 43.18 2g44 n LEU 440 CO 0.63 -0.77 -0.13 -1.10 -1.11 0.00 0.00 177.39 174.92 2g44 s GLN 441 N -1.24 3.26 0.28 1.96 -1.52 -1.26 -5.00 119.66 116.14 2g44 s GLN 441 Ca 0.61 -0.70 0.01 0.00 -1.95 0.00 0.00 55.36 53.33 2g44 s GLN 441 Cb -0.65 -2.85 0.53 0.00 -0.22 0.00 0.00 33.01 29.82 2g44 s GLN 441 CO 0.57 0.50 1.84 0.78 -0.25 0.00 0.00 175.29 178.73 2g44 h GLY 442 N 2.13 1.63 1.03 3.09 0.00 -1.99 -1.20 103.07 107.76 2g44 h GLY 442 Ca -0.48 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.32 2g44 h GLY 442 CO 0.66 0.18 -0.05 0.83 0.00 0.00 0.00 176.54 178.17 2g44 h GLU 443 N 1.02 0.90 -0.20 4.80 3.07 -1.98 -2.46 114.58 119.73 2g44 h GLU 443 Ca 0.49 -0.31 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2g44 h GLU 443 Cb 0.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2g44 h GLU 443 CO -0.25 0.96 -0.04 0.93 -1.40 0.00 0.00 179.01 179.20 2g44 h GLU 444 N 0.75 0.37 -0.43 2.33 5.08 -1.91 -2.97 114.58 117.81 2g44 h GLU 444 Ca 0.13 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2g44 h GLU 444 Cb 0.58 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 2g44 h GLU 444 CO 0.04 0.62 -0.15 0.35 -1.00 0.00 0.00 179.01 178.87 2g44 h PHE 445 N 0.10 -0.34 -0.11 4.33 3.57 -1.12 0.41 116.94 123.78 2g44 h PHE 445 Ca 0.05 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2g44 h PHE 445 Cb 0.48 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2g44 h PHE 445 CO 0.05 -0.23 -0.03 -0.39 -2.23 0.00 0.00 178.31 175.48 2g44 h VAL 446 N -0.05 1.09 -0.18 1.41 -1.51 -1.49 0.11 116.25 115.63 2g44 h VAL 446 Ca 0.21 -0.38 -0.05 0.00 -1.23 0.00 0.00 66.70 65.25 2g44 h VAL 446 Cb 0.37 1.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2g44 h VAL 446 CO -0.47 0.12 -0.09 0.00 -1.23 0.00 0.00 177.57 175.90 2g44 h LEU 448 N 0.07 0.33 -0.73 0.00 3.38 0.66 -1.79 115.31 117.22 2g44 h LEU 448 Ca 0.04 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2g44 h LEU 448 Cb 0.58 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2g44 h LEU 448 CO 0.03 0.24 0.39 0.50 0.09 0.00 0.00 178.44 179.68 2g44 h LYS 449 N 0.42 0.64 -0.28 1.13 3.64 -0.86 -1.57 116.57 119.70 2g44 h LYS 449 Ca 0.15 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2g44 h LYS 449 Cb 0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2g44 h LYS 449 CO -0.08 0.43 -0.27 0.77 -2.27 0.00 0.00 179.45 178.02 2g44 h SER 450 N 0.66 0.57 -0.19 4.20 0.02 -1.13 -2.70 113.55 114.98 2g44 h SER 450 Ca 0.35 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2g44 h SER 450 Cb 0.34 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2g44 h SER 450 CO -0.25 0.83 0.12 0.40 -1.14 0.00 0.00 176.83 176.78 2g44 h ILE 451 N 0.49 1.04 -0.76 3.27 2.04 -0.61 -1.76 117.51 121.22 2g44 h ILE 451 Ca 0.07 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 65.97 2g44 h ILE 451 Cb 0.73 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 2g44 h ILE 451 CO 0.06 0.04 0.34 0.40 0.00 0.00 0.00 178.15 178.99 2g44 h ILE 452 N 0.24 0.72 -0.57 -0.67 2.04 -1.07 0.39 117.51 118.60 2g44 h ILE 452 Ca 0.07 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2g44 h ILE 452 Cb -0.02 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2g44 h ILE 452 CO -0.03 0.09 0.19 0.25 0.00 0.00 0.00 178.15 178.66 2g44 h LEU 453 N 0.52 0.82 0.00 1.44 5.85 -1.10 -2.50 115.31 120.33 2g44 h LEU 453 Ca 0.40 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2g44 h LEU 453 Cb 0.56 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2g44 h LEU 453 CO -0.36 0.79 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.97 2g44 h LEU 454 N 0.79 0.00 0.00 2.25 3.38 -0.65 -3.38 115.31 117.70 2g44 h LEU 454 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2g44 h LEU 454 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2g44 h LEU 454 CO -0.01 0.02 -1.94 -3.20 0.09 0.00 0.00 178.44 173.40 2g44 n ASN 455 N -2.68 0.47 0.07 -0.43 5.15 0.13 -4.38 115.26 113.60 2g44 n ASN 455 Ca 0.02 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.88 2g44 n ASN 455 Cb 0.51 1.81 -0.13 0.00 -0.53 0.00 0.00 39.78 41.44 2g44 n ASN 455 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2g44 h SER 456 N 0.00 0.25 0.39 1.20 0.02 -1.62 -3.32 113.55 110.47 2g44 h SER 456 Ca -0.05 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2g44 h SER 456 Cb 1.03 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2g44 h SER 456 CO 0.00 1.24 -1.17 0.61 -1.14 0.00 0.00 176.83 176.37 2g44 n GLY 457 N 1.51 -1.19 0.31 -3.77 0.00 -1.26 -4.65 105.19 96.14 2g44 n GLY 457 Ca -0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 2g44 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2g44 h VAL 458 N 0.00 1.23 -0.08 1.61 3.04 -1.76 -2.70 116.25 117.58 2g44 h VAL 458 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2g44 h VAL 458 Cb 0.78 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2g44 h VAL 458 CO 0.00 0.25 0.00 -1.22 -1.01 0.00 0.00 177.57 175.59 2g44 n TYR 459 N -4.44 0.12 -1.44 3.17 4.02 -1.26 -2.81 117.16 114.52 2g44 n TYR 459 Ca 0.07 -0.06 0.06 0.00 -0.01 0.00 0.00 57.90 57.96 2g44 n TYR 459 Cb 0.09 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.49 2g44 n TYR 459 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2g44 n THR 460 N -0.23 1.19 0.00 -0.72 5.66 -1.02 -5.24 114.28 113.92 2g44 n THR 460 Ca 0.03 -1.46 0.00 0.00 -3.05 0.00 0.00 64.05 59.56 2g44 n THR 460 Cb 0.09 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 2g44 n THR 460 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2g44 n PHE 461 N -0.88 0.00 -0.30 1.09 3.72 -1.12 -5.14 117.46 114.82 2g44 n PHE 461 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2g44 n PHE 461 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 2g44 n PHE 461 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2g44 n LEU 469 N 0.00 -0.40 -2.19 4.37 7.94 -1.26 -5.16 117.00 120.31 2g44 n LEU 469 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 2g44 n LEU 469 Cb 0.00 -0.20 -0.00 0.00 0.53 0.00 0.00 43.42 43.75 2g44 n LEU 469 CO 0.00 0.00 1.40 -1.84 -1.11 0.00 0.00 177.39 175.84 2g44 n GLU 470 N -0.15 2.12 0.10 1.96 0.00 -1.26 -3.89 120.64 119.52 2g44 n GLU 470 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 57.16 55.11 2g44 n GLU 470 Cb 0.05 -1.89 0.09 0.00 0.00 0.00 0.00 31.44 29.70 2g44 n GLU 470 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2g44 h GLU 471 N 2.19 0.14 -0.02 3.44 4.57 -2.04 -3.23 114.58 119.63 2g44 h GLU 471 Ca 0.35 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2g44 h GLU 471 Cb 0.82 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2g44 h GLU 471 CO 0.85 0.78 -0.28 0.87 -1.18 0.00 0.00 179.01 180.05 2g44 h LYS 472 N 0.09 0.04 -0.65 1.92 1.57 -1.98 -2.68 116.57 114.88 2g44 h LYS 472 Ca -0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2g44 h LYS 472 Cb 1.23 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2g44 h LYS 472 CO 0.10 0.31 0.06 0.22 -0.57 0.00 0.00 179.45 179.57 2g44 h ASP 473 N 0.03 1.07 -0.82 0.86 1.82 -1.86 -1.77 116.42 115.75 2g44 h ASP 473 Ca 0.00 -0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.34 2g44 h ASP 473 Cb 0.51 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 2g44 h ASP 473 CO 0.04 1.09 0.43 -0.74 -1.61 0.00 0.00 179.24 178.45 2g44 h HIS 474 N 1.02 1.15 -0.33 0.28 2.76 -1.60 -0.86 115.15 117.57 2g44 h HIS 474 Ca 0.19 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2g44 h HIS 474 Cb 0.50 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2g44 h HIS 474 CO 0.04 0.81 0.13 0.82 -1.30 0.00 0.00 177.93 178.43 2g44 h ILE 475 N 1.15 1.13 0.01 6.26 2.04 -1.33 -2.23 117.51 124.54 2g44 h ILE 475 Ca 0.29 -0.41 -0.19 0.00 1.00 0.00 0.00 64.86 65.54 2g44 h ILE 475 Cb 0.06 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2g44 h ILE 475 CO -0.04 0.16 -0.90 0.45 0.00 0.00 0.00 178.15 177.82 2g44 h HIS 476 N 0.47 0.13 -0.39 1.37 3.86 -0.45 -1.73 115.15 118.41 2g44 h HIS 476 Ca 0.12 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2g44 h HIS 476 Cb 0.10 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2g44 h HIS 476 CO 0.00 0.93 0.16 0.00 0.86 0.00 0.00 177.93 179.89 2g44 h ARG 477 N 0.04 0.57 -0.49 2.45 3.08 -0.62 -0.83 114.38 118.58 2g44 h ARG 477 Ca -0.03 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 2g44 h ARG 477 Cb 1.56 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 2g44 h ARG 477 CO 0.13 0.54 -0.18 -0.24 -1.07 0.00 0.00 179.97 179.15 2g44 h VAL 478 N 0.48 1.27 -0.68 2.04 3.04 -1.39 -0.30 116.25 120.71 2g44 h VAL 478 Ca 0.13 -1.33 0.14 0.00 -1.01 0.00 0.00 66.70 64.62 2g44 h VAL 478 Cb 0.18 1.07 -0.10 0.00 -2.01 0.00 0.00 31.29 30.43 2g44 h VAL 478 CO -0.01 0.46 0.16 -0.07 -1.01 0.00 0.00 177.57 177.10 2g44 h LEU 479 N 0.85 0.01 -0.63 3.16 4.07 -1.16 0.23 115.31 121.84 2g44 h LEU 479 Ca 0.12 0.13 -0.09 0.00 0.08 0.00 0.00 57.88 58.12 2g44 h LEU 479 Cb 0.74 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 2g44 h LEU 479 CO 0.06 -0.01 0.04 0.44 -1.08 0.00 0.00 178.44 177.89 2g44 h ASP 480 N 0.27 1.06 -0.03 -0.43 3.32 -0.59 -1.07 116.42 118.95 2g44 h ASP 480 Ca 0.37 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2g44 h ASP 480 Cb 0.59 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2g44 h ASP 480 CO -0.46 1.08 -0.07 0.50 -1.72 0.00 0.00 179.24 178.57 2g44 h LYS 481 N 1.00 0.25 0.00 3.56 1.63 -0.04 0.25 116.57 123.21 2g44 h LYS 481 Ca 0.18 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 2g44 h LYS 481 Cb 0.52 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2g44 h LYS 481 CO 0.02 0.33 -0.30 0.82 -3.45 0.00 0.00 179.45 176.88 2g44 h ILE 482 N 0.24 0.53 0.17 2.00 2.04 -0.05 -2.05 117.51 120.39 2g44 h ILE 482 Ca 0.05 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2g44 h ILE 482 Cb 0.28 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2g44 h ILE 482 CO 0.01 0.29 -0.08 0.74 0.00 0.00 0.00 178.15 179.11 2g44 h THR 483 N 0.00 0.86 -0.83 -0.27 2.02 -0.22 -2.47 112.91 112.01 2g44 h THR 483 Ca -0.00 -1.06 0.20 0.00 0.77 0.00 0.00 66.41 66.32 2g44 h THR 483 Cb 1.17 1.42 -0.15 0.00 -1.74 0.00 0.00 68.15 68.85 2g44 h THR 483 CO 0.04 0.21 0.03 0.44 0.37 0.00 0.00 175.52 176.61 2g44 h ASP 484 N -0.83 -0.35 -0.41 4.18 3.32 -1.01 0.13 116.42 121.45 2g44 h ASP 484 Ca -0.02 0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.27 2g44 h ASP 484 Cb 0.52 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2g44 h ASP 484 CO 0.04 -0.22 0.22 0.74 -1.72 0.00 0.00 179.24 178.31 2g44 h THR 485 N 0.09 1.01 -0.50 0.35 2.02 -1.34 0.19 112.91 114.74 2g44 h THR 485 Ca 0.47 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 2g44 h THR 485 Cb 0.87 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2g44 h THR 485 CO -0.73 0.08 0.17 -0.07 0.37 0.00 0.00 175.52 175.34 2g44 h LEU 486 N 0.45 0.71 -0.40 2.58 3.38 -0.54 -1.70 115.31 119.78 2g44 h LEU 486 Ca 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2g44 h LEU 486 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2g44 h LEU 486 CO -0.10 0.71 0.26 0.40 0.09 0.00 0.00 178.44 179.81 2g44 h ILE 487 N 0.67 1.11 -0.66 1.22 1.08 -0.84 -2.21 117.51 117.88 2g44 h ILE 487 Ca 0.16 -0.21 0.10 0.00 -0.39 0.00 0.00 64.86 64.52 2g44 h ILE 487 Cb 0.24 0.53 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 2g44 h ILE 487 CO -0.01 0.11 0.27 -0.74 -0.69 0.00 0.00 178.15 177.09 2g44 h HIS 488 N 0.54 0.47 -0.43 1.37 2.76 -0.54 0.21 115.15 119.53 2g44 h HIS 488 Ca 0.15 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2g44 h HIS 488 Cb -0.05 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 2g44 h HIS 488 CO -0.04 0.12 0.26 -0.07 -1.30 0.00 0.00 177.93 176.89 2g44 h LEU 489 N 0.45 0.51 -0.35 0.26 3.38 -0.90 -2.22 115.31 116.45 2g44 h LEU 489 Ca 0.34 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 2g44 h LEU 489 Cb 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2g44 h LEU 489 CO -0.32 0.42 -0.59 0.24 0.09 0.00 0.00 178.44 178.27 2g44 h MET 490 N 0.57 0.75 -0.12 1.13 2.86 -0.72 -1.10 114.93 118.29 2g44 h MET 490 Ca 0.15 -0.50 0.05 0.00 -2.06 0.00 0.00 59.70 57.34 2g44 h MET 490 Cb -0.00 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 2g44 h MET 490 CO -0.03 1.12 -0.26 0.00 1.06 0.00 0.00 176.91 178.80 2g44 h ALA 491 N 0.76 -0.27 -0.00 6.32 0.00 -0.48 -1.83 119.26 123.76 2g44 h ALA 491 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2g44 h ALA 491 Cb 1.19 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2g44 h ALA 491 CO 0.12 -0.73 -0.03 0.36 0.00 0.00 0.00 179.25 178.97 2g44 n LYS 492 N -5.38 0.61 0.00 0.00 -0.00 -0.85 -1.62 118.16 110.92 2g44 n LYS 492 Ca -0.03 -0.07 0.15 0.00 -0.00 0.00 0.00 58.31 58.35 2g44 n LYS 492 Cb 0.30 -1.50 0.77 0.00 -0.00 0.00 0.00 35.03 34.59 2g44 n LYS 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2g44 n ALA 493 N -1.13 2.50 -0.33 0.58 0.00 -0.43 -4.91 120.51 116.79 2g44 n ALA 493 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2g44 n ALA 493 Cb 0.23 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2g44 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g44 n GLY 494 N 1.27 0.82 3.77 0.00 0.00 -0.64 -5.06 105.19 105.35 2g44 n GLY 494 Ca 0.15 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2g44 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g44 s LEU 495 N 0.00 4.36 0.72 0.99 2.01 -0.88 -5.04 118.68 120.85 2g44 s LEU 495 Ca 0.00 2.07 -0.12 0.00 0.01 0.00 0.00 54.13 56.09 2g44 s LEU 495 Cb 0.00 -3.91 0.03 0.00 0.01 0.00 0.00 46.19 42.32 2g44 s LEU 495 CO 0.00 -0.24 1.10 0.28 1.01 0.00 0.00 176.35 178.50 2g44 s THR 496 N -1.44 3.35 0.22 5.49 -1.32 -1.26 -4.70 115.64 115.98 2g44 s THR 496 Ca 0.50 0.51 -0.09 0.00 -1.21 0.00 0.00 61.69 61.41 2g44 s THR 496 Cb -0.25 -3.03 0.20 0.00 -1.51 0.00 0.00 72.50 67.91 2g44 s THR 496 CO 0.32 -0.50 1.69 0.25 -2.21 0.00 0.00 174.62 174.16 2g44 h LEU 497 N -0.61 -0.08 -0.68 9.08 5.85 -1.99 0.79 115.31 127.66 2g44 h LEU 497 Ca -0.45 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 2g44 h LEU 497 Cb 1.24 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 2g44 h LEU 497 CO 0.53 -0.05 0.14 -0.61 -0.34 0.00 0.00 178.44 178.12 2g44 h GLN 498 N 0.22 1.11 0.00 1.25 4.15 -2.01 -2.64 115.11 117.19 2g44 h GLN 498 Ca 0.35 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2g44 h GLN 498 Cb 0.56 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 2g44 h GLN 498 CO -0.48 0.99 -0.10 1.96 -1.93 0.00 0.00 178.83 179.28 2g44 h GLN 499 N 1.03 0.00 -0.09 1.69 4.20 -1.32 -2.13 115.11 118.50 2g44 h GLN 499 Ca 0.21 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.68 2g44 h GLN 499 Cb 0.40 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.19 2g44 h GLN 499 CO 0.01 0.10 -0.88 1.96 -0.67 0.00 0.00 178.83 179.34 2g44 h GLN 500 N 0.00 0.75 -0.24 1.46 4.20 -0.59 -2.68 115.11 118.01 2g44 h GLN 500 Ca -0.00 -0.69 -0.03 0.00 0.06 0.00 0.00 58.65 57.99 2g44 h GLN 500 Cb 0.41 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2g44 h GLN 500 CO 0.01 1.28 0.03 0.45 -0.67 0.00 0.00 178.83 179.93 2g44 h HIS 501 N 0.46 0.43 -0.03 2.96 3.86 -1.22 -1.81 115.15 119.81 2g44 h HIS 501 Ca -0.09 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2g44 h HIS 501 Cb 1.52 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.87 2g44 h HIS 501 CO 0.10 0.54 0.01 1.96 0.86 0.00 0.00 177.93 181.40 2g44 h GLN 502 N 0.20 0.04 -0.20 2.45 4.20 -1.48 -0.71 115.11 119.60 2g44 h GLN 502 Ca 0.07 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2g44 h GLN 502 Cb 0.35 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2g44 h GLN 502 CO 0.01 0.08 0.12 -0.09 -0.67 0.00 0.00 178.83 178.28 2g44 h ARG 503 N -0.02 0.27 -0.58 1.46 2.43 -1.49 0.31 114.38 116.75 2g44 h ARG 503 Ca 0.01 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 2g44 h ARG 503 Cb 0.06 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 2g44 h ARG 503 CO -0.00 0.22 0.19 1.25 -1.51 0.00 0.00 179.97 180.12 2g44 h LEU 504 N 0.24 0.16 -0.54 3.80 7.12 -1.13 0.98 115.31 125.93 2g44 h LEU 504 Ca 0.07 0.08 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 2g44 h LEU 504 Cb 0.02 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 2g44 h LEU 504 CO -0.01 0.10 0.13 0.00 -0.13 0.00 0.00 178.44 178.53 2g44 h ALA 505 N 1.41 0.72 -0.90 1.25 0.00 -0.65 -2.35 119.26 118.73 2g44 h ALA 505 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2g44 h ALA 505 Cb 0.37 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2g44 h ALA 505 CO -0.32 0.42 0.59 1.96 0.00 0.00 0.00 179.25 181.91 2g44 h GLN 506 N 0.77 1.20 0.35 0.00 4.20 0.13 -0.19 115.11 121.57 2g44 h GLN 506 Ca 0.17 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2g44 h GLN 506 Cb 0.35 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2g44 h GLN 506 CO 0.00 0.80 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.72 2g44 h LEU 507 N 1.23 -0.40 -2.00 1.46 3.38 -0.81 -2.99 115.31 115.19 2g44 h LEU 507 Ca 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2g44 h LEU 507 Cb -0.13 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2g44 h LEU 507 CO -0.07 -0.07 -0.10 -0.07 0.09 0.00 0.00 178.44 178.22 2g44 h LEU 508 N -0.76 0.00 -1.02 1.67 3.38 -1.32 -1.65 115.31 115.62 2g44 h LEU 508 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2g44 h LEU 508 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2g44 h LEU 508 CO 0.08 0.10 -0.49 -0.07 0.09 0.00 0.00 178.44 178.15 2g44 h LEU 509 N 0.00 0.01 -0.99 1.67 3.38 -0.96 -2.94 115.31 115.47 2g44 h LEU 509 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2g44 h LEU 509 Cb 0.26 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2g44 h LEU 509 CO 0.01 0.50 0.06 0.40 0.09 0.00 0.00 178.44 179.50 2g44 h ILE 510 N 0.01 1.23 -0.20 1.22 2.04 -1.15 -1.85 117.51 118.81 2g44 h ILE 510 Ca -0.00 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.02 2g44 h ILE 510 Cb 0.87 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2g44 h ILE 510 CO 0.06 0.32 0.20 -0.07 0.00 0.00 0.00 178.15 178.67 2g44 h LEU 511 N 0.75 0.00 -0.41 1.44 3.38 -1.51 0.28 115.31 119.23 2g44 h LEU 511 Ca 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2g44 h LEU 511 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2g44 h LEU 511 CO 0.01 0.00 -0.02 -1.28 0.09 0.00 0.00 178.44 177.24 2g44 h SER 512 N 0.00 0.73 0.20 -0.43 0.87 -1.43 -0.19 113.55 113.30 2g44 h SER 512 Ca 0.09 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 2g44 h SER 512 Cb 0.50 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2g44 h SER 512 CO -0.00 0.87 -0.50 -0.74 -0.53 0.00 0.00 176.83 175.93 2g44 h HIS 513 N 0.56 0.43 -0.03 2.24 -0.00 -0.59 -2.43 115.15 115.33 2g44 h HIS 513 Ca 0.11 -0.14 -0.08 0.00 -0.00 0.00 0.00 60.37 60.26 2g44 h HIS 513 Cb 0.51 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2g44 h HIS 513 CO 0.04 0.78 -0.36 0.82 -0.00 0.00 0.00 177.93 179.22 2g44 h ILE 514 N 0.28 1.27 -0.57 6.26 2.04 -0.81 -0.04 117.51 125.93 2g44 h ILE 514 Ca 0.01 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 2g44 h ILE 514 Cb 0.98 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 2g44 h ILE 514 CO 0.08 0.37 0.01 -0.09 0.00 0.00 0.00 178.15 178.53 2g44 h ARG 515 N 0.05 0.99 -0.19 2.37 9.65 -0.65 -2.46 114.38 124.15 2g44 h ARG 515 Ca 0.00 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 2g44 h ARG 515 Cb 0.66 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 2g44 h ARG 515 CO 0.05 0.98 0.07 1.25 2.80 0.00 0.00 179.97 185.13 2g44 h HIS 516 N 0.88 0.29 -0.69 2.20 2.76 -0.87 -0.67 115.15 119.06 2g44 h HIS 516 Ca 0.16 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 2g44 h HIS 516 Cb 0.53 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.34 2g44 h HIS 516 CO 0.04 0.35 0.39 0.52 -1.30 0.00 0.00 177.93 177.93 2g44 h MET 517 N 0.15 0.70 -0.53 5.26 2.86 -0.99 -0.88 114.93 121.50 2g44 h MET 517 Ca 0.06 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2g44 h MET 517 Cb 0.18 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2g44 h MET 517 CO -0.00 0.47 0.04 1.03 1.06 0.00 0.00 176.91 179.50 2g44 h SER 518 N 0.73 0.89 0.43 1.22 0.87 -1.22 0.45 113.55 116.92 2g44 h SER 518 Ca 0.30 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2g44 h SER 518 Cb 0.17 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2g44 h SER 518 CO -0.17 0.95 -0.28 0.78 -0.53 0.00 0.00 176.83 177.58 2g44 h ASN 519 N 0.79 -0.70 -0.47 6.23 -0.26 -0.65 0.42 115.58 120.94 2g44 h ASN 519 Ca 0.16 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 56.01 2g44 h ASN 519 Cb 0.47 0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.89 2g44 h ASN 519 CO 0.02 -0.43 0.13 0.11 -1.06 0.00 0.00 177.43 176.19 2g44 h LYS 520 N -0.68 0.27 -0.15 0.81 6.56 -1.08 -2.42 116.57 119.88 2g44 h LYS 520 Ca -0.05 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2g44 h LYS 520 Cb 0.57 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2g44 h LYS 520 CO 0.04 0.18 0.08 0.78 -2.06 0.00 0.00 179.45 178.46 2g44 h GLY 521 N 0.28 0.23 -0.33 3.86 0.00 0.13 -2.00 103.07 105.23 2g44 h GLY 521 Ca 0.23 -0.11 0.14 0.00 0.00 0.00 0.00 47.33 47.60 2g44 h GLY 521 CO -0.27 0.10 -0.12 1.98 0.00 0.00 0.00 176.54 178.23 2g44 h MET 522 N 0.13 0.03 -0.48 4.80 -1.53 0.16 0.41 114.93 118.44 2g44 h MET 522 Ca 0.05 -0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.26 2g44 h MET 522 Cb 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.12 2g44 h MET 522 CO -0.01 0.02 0.07 0.93 0.14 0.00 0.00 176.91 178.06 2g44 h GLU 523 N 0.03 0.74 -0.67 0.39 4.39 -1.05 -1.51 114.58 116.90 2g44 h GLU 523 Ca 0.34 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2g44 h GLU 523 Cb 0.54 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2g44 h GLU 523 CO -0.68 0.71 0.40 1.25 -1.16 0.00 0.00 179.01 179.53 2g44 h HIS 524 N 0.71 0.89 -0.04 4.33 2.76 -0.24 0.25 115.15 123.82 2g44 h HIS 524 Ca 0.15 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2g44 h HIS 524 Cb 0.34 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2g44 h HIS 524 CO 0.02 0.61 0.01 1.25 -1.30 0.00 0.00 177.93 178.52 2g44 h LEU 525 N 0.91 0.06 -0.72 0.26 6.46 -0.64 0.62 115.31 122.27 2g44 h LEU 525 Ca 0.24 -0.22 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 2g44 h LEU 525 Cb -0.01 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 39.84 2g44 h LEU 525 CO -0.04 0.26 0.38 0.22 -0.62 0.00 0.00 178.44 178.63 2g44 h TYR 526 N -0.14 0.68 0.06 1.25 3.20 -1.19 -0.88 116.97 119.95 2g44 h TYR 526 Ca 0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2g44 h TYR 526 Cb 0.22 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2g44 h TYR 526 CO -0.00 0.27 -0.15 1.03 -1.64 0.00 0.00 178.16 177.67 2g44 h SER 527 N 0.65 -0.43 -0.28 -2.11 0.87 -0.57 -2.67 113.55 109.02 2g44 h SER 527 Ca 0.35 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.98 2g44 h SER 527 Cb 0.33 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2g44 h SER 527 CO -0.25 -0.22 0.18 0.24 -0.53 0.00 0.00 176.83 176.26 2g44 h MET 528 N -0.28 0.30 -1.15 2.24 2.86 -0.08 -0.36 114.93 118.45 2g44 h MET 528 Ca 0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2g44 h MET 528 Cb 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2g44 h MET 528 CO -0.11 0.20 0.00 0.36 1.06 0.00 0.00 176.91 178.42 2g44 n LYS 529 N -4.50 0.79 0.00 1.72 2.85 -0.41 -2.13 118.16 116.49 2g44 n LYS 529 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2g44 n LYS 529 Cb 0.12 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 2g44 n LYS 529 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2g44 n LYS 531 N 0.54 0.00 -3.97 -1.58 3.00 -0.15 -4.52 118.16 111.48 2g44 n LYS 531 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 2g44 n LYS 531 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.40 2g44 n LYS 531 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2g44 n ASN 532 N 0.00 -2.84 0.15 3.14 4.05 -0.90 -4.88 115.26 113.97 2g44 n ASN 532 Ca 0.00 -0.90 -0.24 0.00 0.45 0.00 0.00 54.58 53.89 2g44 n ASN 532 Cb 0.00 -3.43 -0.16 0.00 1.23 0.00 0.00 39.78 37.42 2g44 n ASN 532 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 177.26 175.83 2g44 h VAL 533 N -1.85 1.29 -3.52 3.44 3.04 -1.71 -3.45 116.25 113.48 2g44 h VAL 533 Ca -0.60 -2.72 -0.20 0.00 -1.01 0.00 0.00 66.70 62.18 2g44 h VAL 533 Cb 1.38 3.04 -0.26 0.00 -2.01 0.00 0.00 31.29 33.43 2g44 h VAL 533 CO 0.67 0.82 -0.60 0.54 -1.01 0.00 0.00 177.57 177.99 2g44 s VAL 534 N -2.60 0.01 -0.23 1.51 0.11 -1.26 -4.78 120.40 113.16 2g44 s VAL 534 Ca -0.09 -0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.56 2g44 s VAL 534 Cb 0.04 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 2g44 s VAL 534 CO 0.94 -0.06 1.05 -2.84 -3.33 0.00 0.00 175.10 170.86 2g44 s PRO 535 N -0.16 4.25 0.44 1.54 0.02 -1.26 -4.74 135.00 135.09 2g44 s PRO 535 Ca -0.02 1.35 -0.12 0.00 0.02 0.00 0.00 61.00 62.23 2g44 s PRO 535 Cb -0.02 -3.65 -0.07 0.00 0.02 0.00 0.00 34.50 30.78 2g44 s PRO 535 CO 0.00 -0.65 0.84 -0.51 -0.33 0.00 0.00 177.00 176.35 2g44 s LEU 536 N 3.24 3.75 1.29 -5.54 2.01 -1.26 -5.01 118.68 117.17 2g44 s LEU 536 Ca 0.45 1.26 -0.19 0.00 0.01 0.00 0.00 54.13 55.65 2g44 s LEU 536 Cb -0.15 -4.16 0.30 0.00 0.01 0.00 0.00 46.19 42.18 2g44 s LEU 536 CO 0.07 -0.47 0.72 -1.54 1.01 0.00 0.00 176.35 176.14 2g44 n SER 537 N -1.43 -3.25 0.13 2.29 3.41 -1.26 -4.76 113.62 108.75 2g44 n SER 537 Ca 0.04 -0.55 0.12 0.00 -0.26 0.00 0.00 58.87 58.22 2g44 n SER 537 Cb 0.54 -1.01 0.19 0.00 -0.26 0.00 0.00 64.21 63.66 2g44 n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2g44 h ASP 538 N -3.11 0.00 0.02 4.04 3.32 -1.98 -2.54 116.42 116.16 2g44 h ASP 538 Ca -0.44 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 2g44 h ASP 538 Cb 1.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 2g44 h ASP 538 CO 0.30 0.03 -0.29 0.25 -1.72 0.00 0.00 179.24 177.81 2g44 h LEU 539 N 0.00 0.22 -0.39 1.55 6.46 -1.97 -3.01 115.31 118.16 2g44 h LEU 539 Ca 0.00 -0.84 0.08 0.00 -0.12 0.00 0.00 57.88 57.00 2g44 h LEU 539 Cb 0.88 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.66 2g44 h LEU 539 CO 0.00 1.03 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.66 2g44 h LEU 540 N -0.57 -0.46 -1.77 2.25 3.38 -1.92 -0.01 115.31 116.22 2g44 h LEU 540 Ca -0.04 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2g44 h LEU 540 Cb 1.10 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2g44 h LEU 540 CO 0.06 -0.16 -0.05 0.17 0.09 0.00 0.00 178.44 178.54 2g44 h LEU 541 N -0.04 0.00 0.01 1.67 8.10 -1.55 0.88 115.31 124.38 2g44 h LEU 541 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.18 2g44 h LEU 541 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2g44 h LEU 541 CO -0.43 0.05 -0.00 -0.33 -4.11 0.00 0.00 178.44 173.62 2g44 h GLU 542 N 0.00 -0.01 -0.50 0.17 5.08 -1.16 -2.45 114.58 115.71 2g44 h GLU 542 Ca -0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2g44 h GLU 542 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2g44 h GLU 542 CO 0.01 0.85 0.35 0.52 -1.00 0.00 0.00 179.01 179.73 2g44 h MET 543 N -0.94 0.18 0.01 2.33 2.86 -0.65 -1.62 114.93 117.10 2g44 h MET 543 Ca -0.00 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 2g44 h MET 543 Cb 0.86 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.49 2g44 h MET 543 CO 0.00 0.12 -0.70 1.25 1.06 0.00 0.00 176.91 178.65 2g44 h LEU 544 N 0.19 0.60 -1.03 1.22 7.12 -0.90 -3.25 115.31 119.25 2g44 h LEU 544 Ca 0.24 -0.77 0.00 0.00 0.13 0.00 0.00 57.88 57.48 2g44 h LEU 544 Cb 0.68 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 2g44 h LEU 544 CO -0.04 1.29 0.00 0.44 -0.13 0.00 0.00 178.44 180.00 2g44 h ASP 545 N -0.03 0.00 -0.18 1.25 3.32 -0.90 -2.64 116.42 117.23 2g44 h ASP 545 Ca -0.09 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2g44 h ASP 545 Cb 1.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 2g44 h ASP 545 CO 0.14 0.00 0.12 0.00 -1.72 0.00 0.00 179.24 177.78 2g44 h ALA 546 N 2.10 1.92 0.00 3.45 0.00 -1.35 -2.52 119.26 122.87 2g44 h ALA 546 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2g44 h ALA 546 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2g44 h ALA 546 CO 0.00 0.06 -0.15 0.45 0.00 0.00 0.00 179.25 179.60 2g44 h HIS 547 N 0.20 0.00 0.00 0.00 3.86 -1.62 -3.53 115.15 114.07 2g44 h HIS 547 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2g44 h HIS 547 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2g44 h HIS 547 CO -0.00 0.00 0.00 2.89 0.86 0.00 0.00 177.93 181.68