#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlv n SER 305 N 0.00 0.00 -0.31 6.41 7.64 -1.26 -4.91 113.62 121.20 3hlv n SER 305 Ca 0.00 -0.63 -0.03 0.00 1.01 0.00 0.00 58.87 59.22 3hlv n SER 305 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3hlv n SER 305 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hlv h LEU 306 N 0.00 -1.37 -0.15 -3.43 7.12 -2.03 0.38 115.31 115.83 3hlv h LEU 306 Ca 0.00 0.28 -0.01 0.00 0.13 0.00 0.00 57.88 58.28 3hlv h LEU 306 Cb 0.31 0.69 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 3hlv h LEU 306 CO 0.00 -0.30 0.05 0.00 -0.13 0.00 0.00 178.44 178.06 3hlv h ALA 307 N 1.16 0.20 -0.10 1.25 0.00 -1.93 -3.24 119.26 116.60 3hlv h ALA 307 Ca 0.29 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3hlv h ALA 307 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hlv h ALA 307 CO -0.86 -0.19 -0.30 -0.07 0.00 0.00 0.00 179.25 177.83 3hlv h LEU 308 N 0.06 0.18 -3.59 0.00 4.07 -0.81 -2.98 115.31 112.25 3hlv h LEU 308 Ca 0.05 -0.06 -0.32 0.00 0.08 0.00 0.00 57.88 57.63 3hlv h LEU 308 Cb 0.22 -0.05 -0.13 0.00 1.08 0.00 0.00 40.66 41.78 3hlv h LEU 308 CO -0.00 0.48 0.36 -1.54 -1.08 0.00 0.00 178.44 176.66 3hlv n SER 309 N -4.13 6.35 -4.76 -0.43 3.41 0.90 -4.92 113.62 110.04 3hlv n SER 309 Ca -0.01 -3.02 -0.33 0.00 -0.26 0.00 0.00 58.87 55.25 3hlv n SER 309 Cb 0.39 -1.10 -0.07 0.00 -0.26 0.00 0.00 64.21 63.16 3hlv n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hlv s LEU 310 N -1.68 3.82 0.75 1.04 1.43 -1.13 -5.01 118.68 117.91 3hlv s LEU 310 Ca 0.33 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3hlv s LEU 310 Cb 0.25 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 44.29 3hlv s LEU 310 CO -0.03 0.28 1.09 -0.89 0.23 0.00 0.00 176.35 177.02 3hlv s THR 311 N -1.17 3.39 0.17 5.49 2.01 -1.26 -4.89 115.64 119.38 3hlv s THR 311 Ca 0.22 0.45 -0.14 0.00 0.31 0.00 0.00 61.69 62.53 3hlv s THR 311 Cb -0.12 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.19 3hlv s THR 311 CO 0.13 -0.59 1.78 0.00 -0.69 0.00 0.00 174.62 175.25 3hlv h ALA 312 N -0.90 0.58 -0.00 7.40 0.00 -1.96 -0.69 119.26 123.68 3hlv h ALA 312 Ca -0.46 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 3hlv h ALA 312 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hlv h ALA 312 CO 0.60 -0.12 -0.89 -0.44 0.00 0.00 0.00 179.25 178.39 3hlv h ASP 313 N 0.46 0.39 -0.17 0.00 3.45 -1.96 -1.30 116.42 117.30 3hlv h ASP 313 Ca 0.20 -0.31 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 3hlv h ASP 313 Cb 0.10 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3hlv h ASP 313 CO -0.14 1.10 0.03 1.56 -1.57 0.00 0.00 179.24 180.22 3hlv h GLN 314 N 0.17 0.37 0.56 3.56 4.20 -1.91 -1.73 115.11 120.34 3hlv h GLN 314 Ca -0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3hlv h GLN 314 Cb 1.52 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.24 3hlv h GLN 314 CO 0.15 0.38 -0.27 1.98 -0.67 0.00 0.00 178.83 180.40 3hlv h MET 315 N 0.37 -0.72 0.00 1.46 4.05 -0.22 -1.61 114.93 118.25 3hlv h MET 315 Ca 0.09 0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3hlv h MET 315 Cb 0.21 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 3hlv h MET 315 CO 0.00 -0.48 -0.10 -0.24 0.23 0.00 0.00 176.91 176.33 3hlv h VAL 316 N -0.88 0.76 0.72 -5.77 3.04 -1.30 -1.41 116.25 111.42 3hlv h VAL 316 Ca -0.08 -0.38 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 3hlv h VAL 316 Cb 0.57 1.22 0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3hlv h VAL 316 CO 0.13 0.10 -0.35 -1.28 -1.01 0.00 0.00 177.57 175.15 3hlv h SER 317 N 0.00 -0.82 -0.96 3.17 0.87 -1.27 -1.55 113.55 112.99 3hlv h SER 317 Ca -0.00 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 60.76 3hlv h SER 317 Cb 0.22 0.21 -0.11 0.00 -0.44 0.00 0.00 62.40 62.28 3hlv h SER 317 CO 0.01 -0.52 0.54 0.00 -0.53 0.00 0.00 176.83 176.33 3hlv h ALA 318 N -0.86 1.58 -0.41 6.23 0.00 -0.52 -1.73 119.26 123.55 3hlv h ALA 318 Ca -0.10 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3hlv h ALA 318 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hlv h ALA 318 CO 0.16 -0.13 -0.33 -0.07 0.00 0.00 0.00 179.25 178.87 3hlv h LEU 319 N 0.65 0.99 -1.14 0.00 -0.00 -1.25 -2.98 115.31 111.58 3hlv h LEU 319 Ca 0.56 -0.43 -0.04 0.00 -0.00 0.00 0.00 57.88 57.98 3hlv h LEU 319 Cb 0.93 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 3hlv h LEU 319 CO -0.42 1.22 0.20 -0.07 -0.00 0.00 0.00 178.44 179.37 3hlv h LEU 320 N 0.78 0.74 -0.03 1.67 4.07 -0.35 -2.86 115.31 119.32 3hlv h LEU 320 Ca 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3hlv h LEU 320 Cb 0.92 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.47 3hlv h LEU 320 CO 0.09 0.68 -0.79 0.47 -1.08 0.00 0.00 178.44 177.81 3hlv n ASP 321 N -4.32 0.83 0.08 -0.43 9.92 -1.06 -3.10 116.55 118.48 3hlv n ASP 321 Ca 0.04 -0.72 0.13 0.00 -0.53 0.00 0.00 54.79 53.70 3hlv n ASP 321 Cb 0.18 0.69 0.46 0.00 -0.64 0.00 0.00 41.12 41.80 3hlv n ASP 321 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hlv n ALA 322 N -1.45 2.12 -1.54 2.24 0.00 -1.09 -4.90 120.51 115.88 3hlv n ALA 322 Ca 0.05 -0.02 -0.53 0.00 0.00 0.00 0.00 53.44 52.94 3hlv n ALA 322 Cb 0.34 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3hlv n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hlv n GLU 323 N -2.07 0.70 -1.71 0.00 -0.58 -1.17 -4.55 120.64 111.26 3hlv n GLU 323 Ca 0.05 0.25 -0.31 0.00 -0.42 0.00 0.00 57.16 56.73 3hlv n GLU 323 Cb 0.36 -1.75 0.04 0.00 -0.57 0.00 0.00 31.44 29.51 3hlv n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hlv s PRO 324 N -0.03 3.10 0.38 3.49 0.04 -1.26 -5.04 135.00 135.67 3hlv s PRO 324 Ca 0.82 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 3hlv s PRO 324 Cb -1.02 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 3hlv s PRO 324 CO 0.52 -0.94 0.94 -1.25 0.04 0.00 0.00 177.00 176.31 3hlv s PRO 325 N -5.14 4.36 -0.26 0.56 0.04 -1.26 -5.01 135.00 128.29 3hlv s PRO 325 Ca 0.57 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 3hlv s PRO 325 Cb -0.13 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 3hlv s PRO 325 CO 0.54 0.11 1.51 0.42 0.04 0.00 0.00 177.00 179.62 3hlv s ILE 326 N -1.94 3.84 0.78 0.56 1.09 -1.26 -5.02 121.20 119.25 3hlv s ILE 326 Ca 0.57 0.93 -0.11 0.00 -1.10 0.00 0.00 60.65 60.94 3hlv s ILE 326 Cb -0.13 -3.88 0.07 0.00 -1.06 0.00 0.00 42.46 37.46 3hlv s ILE 326 CO 0.18 -0.39 1.15 -0.76 -0.10 0.00 0.00 174.94 175.01 3hlv s LEU 327 N 5.05 2.58 0.38 2.97 1.43 -1.26 -5.01 118.68 124.82 3hlv s LEU 327 Ca 0.66 0.76 0.08 0.00 -1.03 0.00 0.00 54.13 54.60 3hlv s LEU 327 Cb -0.21 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3hlv s LEU 327 CO 0.28 -1.81 0.27 -0.31 0.23 0.00 0.00 176.35 175.00 3hlv s TYR 328 N -3.51 2.74 0.03 0.29 2.02 -1.26 -4.36 117.35 113.31 3hlv s TYR 328 Ca 0.61 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.80 3hlv s TYR 328 Cb -0.11 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 3hlv s TYR 328 CO 0.49 0.12 0.32 0.45 -1.57 0.00 0.00 175.55 175.36 3hlv s SER 329 N -3.99 6.57 0.00 2.29 0.15 -1.26 -4.92 113.70 112.54 3hlv s SER 329 Ca 0.43 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.75 3hlv s SER 329 Cb -0.03 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3hlv s SER 329 CO 0.25 0.23 0.46 1.21 1.20 0.00 0.00 173.24 176.59 3hlv n GLU 330 N 1.12 0.69 -1.74 5.44 2.13 -1.26 -4.85 120.64 122.16 3hlv n GLU 330 Ca -0.10 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.29 3hlv n GLU 330 Cb 0.53 -1.23 -0.03 0.00 0.27 0.00 0.00 31.44 30.98 3hlv n GLU 330 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3hlv s TYR 331 N -1.33 1.42 -0.46 4.31 6.14 -1.26 -4.98 117.35 121.18 3hlv s TYR 331 Ca 0.00 -0.04 -0.05 0.00 0.64 0.00 0.00 57.07 57.62 3hlv s TYR 331 Cb 0.00 -4.11 0.12 0.00 0.42 0.00 0.00 41.96 38.40 3hlv s TYR 331 CO 0.00 -4.74 0.28 0.34 0.64 0.00 0.00 175.55 172.07 3hlv s ASP 332 N 5.24 5.41 0.60 4.32 3.68 -1.26 -5.00 116.67 129.66 3hlv s ASP 332 Ca 0.88 -2.10 0.40 0.00 2.13 0.00 0.00 52.55 53.85 3hlv s ASP 332 Cb -0.37 -1.89 2.00 0.00 -1.45 0.00 0.00 42.92 41.21 3hlv s ASP 332 CO 0.37 -0.57 2.20 1.55 0.13 0.00 0.00 175.17 178.85 3hlv h PRO 333 N 8.05 0.00 -1.84 4.34 0.13 -1.98 -2.85 132.00 137.85 3hlv h PRO 333 Ca -0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.82 3hlv h PRO 333 Cb 1.04 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 3hlv h PRO 333 CO 0.75 0.00 0.13 0.25 -0.23 0.00 0.00 178.00 178.90 3hlv n THR 334 N -3.00 2.49 -3.72 1.56 -2.24 -1.26 -4.76 114.28 103.34 3hlv n THR 334 Ca -0.02 -1.20 -0.13 0.00 -2.27 0.00 0.00 64.05 60.44 3hlv n THR 334 Cb 0.14 -1.51 -0.07 0.00 -2.10 0.00 0.00 70.33 66.79 3hlv n THR 334 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3hlv s ARG 335 N -0.63 0.81 0.45 -0.78 6.06 -1.08 -5.17 118.95 118.61 3hlv s ARG 335 Ca 0.23 -0.35 -0.23 0.00 -2.50 0.00 0.00 55.73 52.88 3hlv s ARG 335 Cb 0.15 0.36 -0.08 0.00 0.06 0.00 0.00 34.95 35.44 3hlv s ARG 335 CO -0.02 -0.26 1.14 -2.14 -2.50 0.00 0.00 175.30 171.52 3hlv s PRO 336 N -2.15 3.85 -0.46 5.12 0.02 -1.26 -4.99 135.00 135.12 3hlv s PRO 336 Ca -0.08 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 3hlv s PRO 336 Cb -0.02 -2.43 0.03 0.00 0.02 0.00 0.00 34.50 32.10 3hlv s PRO 336 CO -0.01 -0.46 0.90 0.12 -0.33 0.00 0.00 177.00 177.23 3hlv s PHE 337 N -1.58 2.93 0.39 6.54 2.19 -1.26 -4.94 117.98 122.24 3hlv s PHE 337 Ca 0.62 0.32 0.07 0.00 0.33 0.00 0.00 56.93 58.28 3hlv s PHE 337 Cb -0.27 -3.92 -0.00 0.00 -1.31 0.00 0.00 43.02 37.52 3hlv s PHE 337 CO 0.33 -1.09 0.50 -1.12 1.83 0.00 0.00 175.22 175.66 3hlv s SER 338 N 2.27 5.67 0.20 6.13 0.01 -1.26 -4.97 113.70 121.75 3hlv s SER 338 Ca 0.35 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.17 3hlv s SER 338 Cb -0.11 -0.86 0.13 0.00 0.21 0.00 0.00 66.02 65.40 3hlv s SER 338 CO 0.25 -0.61 1.60 -0.08 0.41 0.00 0.00 173.24 174.81 3hlv h GLU 339 N 0.81 0.82 0.07 12.44 4.81 -1.97 -1.82 114.58 129.73 3hlv h GLU 339 Ca -0.42 -0.35 -0.24 0.00 -0.13 0.00 0.00 59.36 58.22 3hlv h GLU 339 Cb 1.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3hlv h GLU 339 CO 0.50 0.98 -1.11 0.00 -0.73 0.00 0.00 179.01 178.65 3hlv h ALA 340 N 1.01 0.24 0.70 2.92 0.00 -1.90 -2.25 119.26 119.98 3hlv h ALA 340 Ca 0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 3hlv h ALA 340 Cb 0.78 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hlv h ALA 340 CO 0.06 1.03 -0.33 1.03 0.00 0.00 0.00 179.25 181.04 3hlv h SER 341 N 0.07 -0.79 1.67 0.00 0.87 -1.90 -2.19 113.55 111.28 3hlv h SER 341 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3hlv h SER 341 Cb 1.83 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 3hlv h SER 341 CO 0.17 -0.50 0.00 0.00 -0.53 0.00 0.00 176.83 175.98 3hlv h MET 342 N -1.05 0.00 0.01 2.24 -0.00 -1.45 0.38 114.93 115.06 3hlv h MET 342 Ca -0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.41 3hlv h MET 342 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.33 3hlv h MET 342 CO 0.16 0.00 -0.87 1.98 -0.00 0.00 0.00 176.91 178.18 3hlv h MET 343 N 0.00 0.13 -0.15 -0.10 -1.53 -1.45 -2.79 114.93 109.03 3hlv h MET 343 Ca 0.00 -0.14 -0.21 0.00 -3.44 0.00 0.00 59.70 55.90 3hlv h MET 343 Cb 0.84 0.04 0.01 0.00 -0.55 0.00 0.00 31.60 31.94 3hlv h MET 343 CO 0.00 0.91 -0.75 0.78 0.14 0.00 0.00 176.91 177.99 3hlv h GLY 344 N 2.07 0.80 0.94 1.39 0.00 -0.68 -2.27 103.07 105.32 3hlv h GLY 344 Ca -0.03 -1.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.18 3hlv h GLY 344 CO 0.13 0.99 -0.13 1.41 0.00 0.00 0.00 176.54 178.94 3hlv h LEU 345 N 0.50 -0.31 -0.03 3.11 4.07 -0.99 -1.79 115.31 119.87 3hlv h LEU 345 Ca -0.04 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3hlv h LEU 345 Cb 1.37 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.20 3hlv h LEU 345 CO 0.15 -0.20 0.02 -0.07 -1.08 0.00 0.00 178.44 177.25 3hlv h LEU 346 N -0.32 0.03 -0.62 1.67 3.38 -1.52 -0.58 115.31 117.34 3hlv h LEU 346 Ca -0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hlv h LEU 346 Cb 0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hlv h LEU 346 CO 0.02 0.05 0.24 0.71 0.09 0.00 0.00 178.44 179.55 3hlv h THR 347 N 0.01 1.24 -0.01 0.22 1.35 -1.47 0.32 112.91 114.56 3hlv h THR 347 Ca 0.01 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 65.14 3hlv h THR 347 Cb 0.02 0.56 -0.04 0.00 -1.73 0.00 0.00 68.15 66.96 3hlv h THR 347 CO -0.00 0.29 -0.40 -1.13 -0.25 0.00 0.00 175.52 174.03 3hlv h ASN 348 N 0.87 -1.25 -0.76 5.36 -0.00 -1.23 0.31 115.58 118.88 3hlv h ASN 348 Ca 0.21 0.14 0.17 0.00 -0.00 0.00 0.00 56.30 56.82 3hlv h ASN 348 Cb 0.22 0.48 -0.13 0.00 -0.00 0.00 0.00 38.32 38.88 3hlv h ASN 348 CO -0.02 -0.39 -0.00 0.25 -0.00 0.00 0.00 177.43 177.28 3hlv h LEU 349 N -0.50 -0.36 0.23 0.34 5.85 -0.99 -2.21 115.31 117.67 3hlv h LEU 349 Ca 0.01 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3hlv h LEU 349 Cb 0.54 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3hlv h LEU 349 CO -0.28 -0.19 -0.11 0.00 -0.34 0.00 0.00 178.44 177.53 3hlv h ALA 350 N 1.72 -0.31 -0.94 1.25 0.00 0.01 -2.28 119.26 118.70 3hlv h ALA 350 Ca 0.42 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.42 3hlv h ALA 350 Cb 0.73 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 3hlv h ALA 350 CO -0.68 -0.58 0.48 0.22 0.00 0.00 0.00 179.25 178.70 3hlv h ASP 351 N -0.51 0.49 1.34 0.00 3.58 -0.05 0.19 116.42 121.46 3hlv h ASP 351 Ca -0.03 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3hlv h ASP 351 Cb 0.38 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 3hlv h ASP 351 CO 0.05 0.05 -0.15 0.03 -2.88 0.00 0.00 179.24 176.34 3hlv h ARG 352 N 0.48 0.00 0.00 0.28 3.08 -1.28 -3.12 114.38 113.82 3hlv h ARG 352 Ca 0.60 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.50 3hlv h ARG 352 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3hlv h ARG 352 CO -0.50 0.15 -0.94 1.49 -1.07 0.00 0.00 179.97 179.10 3hlv h GLU 353 N 0.00 0.00 -0.04 0.04 4.81 -0.09 -3.27 114.58 116.03 3hlv h GLU 353 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3hlv h GLU 353 Cb 0.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3hlv h GLU 353 CO 0.02 0.45 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.43 3hlv h LEU 354 N 0.00 0.06 -0.46 1.64 4.07 -1.12 -2.03 115.31 117.47 3hlv h LEU 354 Ca -0.07 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.71 3hlv h LEU 354 Cb 1.51 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 3hlv h LEU 354 CO 0.06 0.32 -0.76 0.58 -1.08 0.00 0.00 178.44 177.55 3hlv h VAL 355 N 0.06 1.54 0.22 1.22 2.07 -1.66 -1.54 116.25 118.15 3hlv h VAL 355 Ca 0.01 -2.63 -0.32 0.00 0.82 0.00 0.00 66.70 64.58 3hlv h VAL 355 Cb 0.48 2.42 0.03 0.00 -1.52 0.00 0.00 31.29 32.70 3hlv h VAL 355 CO 0.03 0.75 -1.45 0.45 0.02 0.00 0.00 177.57 177.38 3hlv h HIS 356 N 0.00 0.83 -0.96 1.57 3.86 -1.66 -3.24 115.15 115.56 3hlv h HIS 356 Ca -0.01 -0.61 0.15 0.00 -1.16 0.00 0.00 60.37 58.75 3hlv h HIS 356 Cb 1.36 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.70 3hlv h HIS 356 CO 0.00 1.50 0.57 1.98 0.86 0.00 0.00 177.93 182.84 3hlv h MET 357 N 0.12 0.79 0.00 2.45 -1.53 -1.28 -0.58 114.93 114.90 3hlv h MET 357 Ca -0.23 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 55.95 3hlv h MET 357 Cb 2.12 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 32.98 3hlv h MET 357 CO 0.25 0.52 -0.15 0.82 0.14 0.00 0.00 176.91 178.50 3hlv h ILE 358 N 0.82 0.49 0.17 1.77 2.04 -1.31 0.67 117.51 122.16 3hlv h ILE 358 Ca 0.51 -0.74 -0.33 0.00 1.00 0.00 0.00 64.86 65.30 3hlv h ILE 358 Cb 0.66 1.51 0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3hlv h ILE 358 CO -0.33 0.14 -1.62 0.78 0.00 0.00 0.00 178.15 177.12 3hlv h ASN 359 N 0.00 0.57 -0.34 1.72 2.35 -1.32 -3.16 115.58 115.39 3hlv h ASN 359 Ca -0.00 -0.78 -0.00 0.00 -0.55 0.00 0.00 56.30 54.97 3hlv h ASN 359 Cb 0.49 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3hlv h ASN 359 CO 0.02 1.64 0.21 -0.25 -1.65 0.00 0.00 177.43 177.40 3hlv h TRP 360 N 0.10 0.45 0.35 1.19 7.01 -0.78 -2.32 115.95 121.95 3hlv h TRP 360 Ca -0.29 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.71 3hlv h TRP 360 Cb 2.08 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.96 3hlv h TRP 360 CO 0.09 0.32 -0.52 0.00 -2.79 0.00 0.00 178.44 175.55 3hlv h ALA 361 N 1.09 -1.09 -0.45 2.65 0.00 -0.98 0.23 119.26 120.70 3hlv h ALA 361 Ca 0.12 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.00 3hlv h ALA 361 Cb 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hlv h ALA 361 CO -0.02 -1.17 0.52 0.87 0.00 0.00 0.00 179.25 179.45 3hlv h LYS 362 N -0.91 0.00 -0.01 0.00 1.57 -1.52 0.38 116.57 116.08 3hlv h LYS 362 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hlv h LYS 362 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3hlv h LYS 362 CO -0.15 0.00 -0.02 0.54 -0.57 0.00 0.00 179.45 179.25 3hlv n ARG 363 N -3.62 1.44 -2.98 3.15 1.74 0.00 -4.54 116.66 111.86 3hlv n ARG 363 Ca 0.08 -0.69 -0.41 0.00 -0.77 0.00 0.00 57.85 56.06 3hlv n ARG 363 Cb 0.70 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 3hlv n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hlv s VAL 364 N -2.04 4.92 0.25 1.55 1.01 0.13 -4.85 120.40 121.37 3hlv s VAL 364 Ca 0.39 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.51 3hlv s VAL 364 Cb 0.21 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 3hlv s VAL 364 CO 0.36 0.03 1.36 -2.65 0.00 0.00 0.00 175.10 174.20 3hlv n PRO 365 N 5.35 1.95 0.00 2.72 -0.02 -1.26 -1.41 135.00 142.32 3hlv n PRO 365 Ca 0.03 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3hlv n PRO 365 Cb 0.49 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3hlv n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hlv n GLY 366 N 1.97 2.69 0.12 -1.23 0.00 -1.26 -4.90 105.19 102.58 3hlv n GLY 366 Ca 0.11 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 3hlv n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hlv h PHE 367 N 0.00 -0.10 0.00 1.61 3.57 -1.53 -1.94 116.94 118.55 3hlv h PHE 367 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hlv h PHE 367 Cb 0.00 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3hlv h PHE 367 CO 0.00 -0.09 0.00 1.33 -2.23 0.00 0.00 178.31 177.32 3hlv n VAL 368 N -5.21 1.05 1.71 1.41 0.24 -1.26 -1.54 118.33 114.73 3hlv n VAL 368 Ca -0.01 0.26 0.15 0.00 -2.04 0.00 0.00 64.34 62.70 3hlv n VAL 368 Cb 0.15 -1.06 0.77 0.00 -1.47 0.00 0.00 33.84 32.23 3hlv n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3hlv n ASP 369 N -1.43 0.42 -4.90 -1.34 10.43 -0.73 -4.84 116.55 114.16 3hlv n ASP 369 Ca 0.04 -0.94 -0.30 0.00 2.57 0.00 0.00 54.79 56.16 3hlv n ASP 369 Cb 0.12 -0.04 -0.04 0.00 1.84 0.00 0.00 41.12 43.00 3hlv n ASP 369 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hlv s LEU 370 N -2.15 4.20 0.81 0.64 2.01 -0.59 -5.09 118.68 118.51 3hlv s LEU 370 Ca 0.40 0.66 -0.11 0.00 0.01 0.00 0.00 54.13 55.09 3hlv s LEU 370 Cb 0.21 -3.41 0.08 0.00 0.01 0.00 0.00 46.19 43.08 3hlv s LEU 370 CO 0.39 -0.03 1.09 0.42 1.01 0.00 0.00 176.35 179.23 3hlv s THR 371 N -1.80 3.07 0.53 5.49 -4.23 -1.26 -4.73 115.64 112.71 3hlv s THR 371 Ca 0.43 0.35 0.19 0.00 -1.18 0.00 0.00 61.69 61.47 3hlv s THR 371 Cb -0.11 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.04 3hlv s THR 371 CO 0.25 -0.45 2.13 -0.07 -0.54 0.00 0.00 174.62 175.94 3hlv h LEU 372 N -1.19 0.00 -0.85 4.79 -0.00 -1.98 0.36 115.31 116.43 3hlv h LEU 372 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.32 3hlv h LEU 372 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 3hlv h LEU 372 CO 0.57 0.00 -0.14 -0.74 -0.00 0.00 0.00 178.44 178.12 3hlv h HIS 373 N 0.00 0.77 0.12 1.13 2.76 -1.98 0.27 115.15 118.22 3hlv h HIS 373 Ca 0.05 -0.14 -0.28 0.00 -2.20 0.00 0.00 60.37 57.79 3hlv h HIS 373 Cb 0.19 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3hlv h HIS 373 CO 0.00 0.80 -1.33 -0.44 -1.30 0.00 0.00 177.93 175.66 3hlv h ASP 374 N 0.63 0.41 -0.26 3.26 3.32 -1.36 -1.71 116.42 120.71 3hlv h ASP 374 Ca 0.10 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 3hlv h ASP 374 Cb 0.60 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3hlv h ASP 374 CO 0.04 1.38 -0.11 1.56 -1.72 0.00 0.00 179.24 180.39 3hlv h GLN 375 N 0.07 0.54 -0.67 3.56 4.20 -0.96 -0.36 115.11 121.50 3hlv h GLN 375 Ca -0.17 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3hlv h GLN 375 Cb 1.99 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.72 3hlv h GLN 375 CO 0.19 0.78 0.42 -0.24 -0.67 0.00 0.00 178.83 179.31 3hlv h VAL 376 N 0.28 1.18 -0.35 -0.54 3.04 -0.52 -1.41 116.25 117.93 3hlv h VAL 376 Ca 0.06 -0.38 -0.14 0.00 -1.01 0.00 0.00 66.70 65.23 3hlv h VAL 376 Cb 0.62 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 3hlv h VAL 376 CO 0.04 0.19 -0.31 -0.74 -1.01 0.00 0.00 177.57 175.73 3hlv h HIS 377 N 0.91 0.99 -0.80 3.17 -0.00 -1.16 0.14 115.15 118.39 3hlv h HIS 377 Ca 0.24 -0.29 -0.04 0.00 -0.00 0.00 0.00 60.37 60.29 3hlv h HIS 377 Cb -0.06 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 3hlv h HIS 377 CO -0.02 1.08 0.36 -0.07 -0.00 0.00 0.00 177.93 179.28 3hlv h LEU 378 N 0.61 1.07 0.07 0.26 4.07 -1.00 -1.78 115.31 118.61 3hlv h LEU 378 Ca 0.06 -0.15 -0.27 0.00 0.08 0.00 0.00 57.88 57.60 3hlv h LEU 378 Cb 0.89 -0.28 0.01 0.00 1.08 0.00 0.00 40.66 42.37 3hlv h LEU 378 CO 0.08 0.93 -1.20 0.25 -1.08 0.00 0.00 178.44 177.42 3hlv h LEU 379 N 1.15 0.53 -0.50 1.67 5.85 -1.04 -2.11 115.31 120.86 3hlv h LEU 379 Ca 0.27 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3hlv h LEU 379 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3hlv h LEU 379 CO -0.03 1.38 0.22 -0.33 -0.34 0.00 0.00 178.44 179.34 3hlv h GLU 380 N 0.13 0.74 0.00 1.25 5.08 -0.69 -2.34 114.58 118.75 3hlv h GLU 380 Ca -0.14 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hlv h GLU 380 Cb 1.89 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.02 3hlv h GLU 380 CO 0.20 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 3hlv n ALA 382 N -1.94 2.44 0.09 0.00 0.00 -0.80 -4.81 120.51 115.49 3hlv n ALA 382 Ca 0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 3hlv n ALA 382 Cb 0.45 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 3hlv n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3hlv h TRP 383 N 0.19 -0.13 0.00 0.00 5.08 -1.58 -1.58 115.95 117.93 3hlv h TRP 383 Ca 0.00 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.93 3hlv h TRP 383 Cb 0.10 0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.29 3hlv h TRP 383 CO 0.00 -0.07 -0.15 1.25 -1.28 0.00 0.00 178.44 178.19 3hlv h LEU 384 N -0.16 0.00 -0.32 0.11 5.85 -1.87 -1.72 115.31 117.20 3hlv h LEU 384 Ca -0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 3hlv h LEU 384 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hlv h LEU 384 CO 0.02 0.15 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.69 3hlv h GLU 385 N 0.00 0.75 -0.23 1.25 5.08 -1.73 -1.27 114.58 118.43 3hlv h GLU 385 Ca -0.00 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 3hlv h GLU 385 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3hlv h GLU 385 CO 0.02 0.99 -0.31 0.82 -1.00 0.00 0.00 179.01 179.53 3hlv h ILE 386 N 0.51 1.28 -0.43 3.13 2.04 -1.02 -0.07 117.51 122.96 3hlv h ILE 386 Ca 0.06 -1.37 -0.12 0.00 1.00 0.00 0.00 64.86 64.43 3hlv h ILE 386 Cb 0.82 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3hlv h ILE 386 CO 0.07 0.43 -0.21 -0.07 0.00 0.00 0.00 178.15 178.37 3hlv h LEU 387 N 0.40 0.87 -0.23 1.44 3.38 -1.27 -2.64 115.31 117.26 3hlv h LEU 387 Ca 0.05 -0.32 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 3hlv h LEU 387 Cb 0.74 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3hlv h LEU 387 CO 0.06 1.05 -0.91 0.24 0.09 0.00 0.00 178.44 178.97 3hlv h MET 388 N 0.74 0.24 0.00 1.13 2.86 -0.97 -2.18 114.93 116.76 3hlv h MET 388 Ca 0.10 -0.27 -0.15 0.00 -2.06 0.00 0.00 59.70 57.32 3hlv h MET 388 Cb 0.75 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3hlv h MET 388 CO 0.06 1.00 -0.70 0.97 1.06 0.00 0.00 176.91 179.30 3hlv h ILE 389 N 0.13 1.37 -0.11 -1.22 2.10 -1.02 -2.90 117.51 115.87 3hlv h ILE 389 Ca -0.06 -2.53 -0.03 0.00 1.08 0.00 0.00 64.86 63.32 3hlv h ILE 389 Cb 1.55 2.41 -0.00 0.00 -1.09 0.00 0.00 36.82 39.69 3hlv h ILE 389 CO 0.14 0.69 -0.06 1.23 -1.08 0.00 0.00 178.15 179.07 3hlv h GLY 390 N 2.55 0.26 0.90 8.18 0.00 -1.44 -2.82 103.07 110.70 3hlv h GLY 390 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.19 3hlv h GLY 390 CO 0.09 0.22 0.47 -2.00 0.00 0.00 0.00 176.54 175.31 3hlv h LEU 391 N -0.13 0.50 -0.01 3.11 5.85 -1.40 -1.59 115.31 121.64 3hlv h LEU 391 Ca 0.02 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.49 3hlv h LEU 391 Cb 0.54 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.49 3hlv h LEU 391 CO 0.02 0.30 -1.08 0.58 -0.34 0.00 0.00 178.44 177.92 3hlv h VAL 392 N 0.55 1.32 0.10 1.05 2.07 -1.52 -2.56 116.25 117.27 3hlv h VAL 392 Ca 0.33 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.47 3hlv h VAL 392 Cb 0.54 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 3hlv h VAL 392 CO -0.11 0.73 -0.14 -0.25 0.02 0.00 0.00 177.57 177.81 3hlv h TRP 393 N 0.31 -0.37 -0.55 1.57 2.91 -1.22 -2.78 115.95 115.81 3hlv h TRP 393 Ca -0.13 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.01 3hlv h TRP 393 Cb 1.73 0.15 -0.10 0.00 -0.51 0.00 0.00 29.16 30.44 3hlv h TRP 393 CO 0.09 -0.22 -0.03 0.00 -1.03 0.00 0.00 178.44 177.25 3hlv h ARG 394 N -0.29 0.08 -0.62 2.65 3.08 -1.22 -2.25 114.38 115.80 3hlv h ARG 394 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hlv h ARG 394 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hlv h ARG 394 CO -0.07 0.06 0.00 -1.13 -1.07 0.00 0.00 179.97 177.76 3hlv n SER 395 N -5.29 3.39 0.25 7.04 3.41 -0.97 -4.51 113.62 116.93 3hlv n SER 395 Ca 0.07 -2.34 -0.14 0.00 -0.26 0.00 0.00 58.87 56.20 3hlv n SER 395 Cb 0.31 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 3hlv n SER 395 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3hlv h MET 396 N 2.65 -0.77 -1.06 4.33 4.05 -1.11 -1.40 114.93 121.62 3hlv h MET 396 Ca 0.00 0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 3hlv h MET 396 Cb 1.10 0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 32.02 3hlv h MET 396 CO 0.18 -0.51 0.11 0.39 0.23 0.00 0.00 176.91 177.30 3hlv n GLU 397 N -4.71 1.20 -3.56 0.39 4.71 -1.26 -3.99 120.64 113.42 3hlv n GLU 397 Ca -0.10 -0.47 -0.27 0.00 -0.01 0.00 0.00 57.16 56.31 3hlv n GLU 397 Cb 0.35 -1.18 -0.10 0.00 -1.01 0.00 0.00 31.44 29.50 3hlv n GLU 397 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3hlv n HIS 398 N 0.31 2.03 -1.92 -0.32 8.25 -0.53 -5.11 115.22 117.94 3hlv n HIS 398 Ca 0.09 -3.96 -0.40 0.00 -0.26 0.00 0.00 57.72 53.19 3hlv n HIS 398 Cb 0.67 -0.39 0.01 0.00 1.12 0.00 0.00 29.99 31.40 3hlv n HIS 398 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3hlv s PRO 399 N -1.42 3.78 0.00 -0.41 0.02 -1.26 -1.24 135.00 134.47 3hlv s PRO 399 Ca 0.32 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3hlv s PRO 399 Cb 0.06 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.90 3hlv s PRO 399 CO -0.12 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 3hlv n GLY 400 N 0.62 2.17 3.34 0.52 0.00 -1.26 -5.00 105.19 105.58 3hlv n GLY 400 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3hlv n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlv s LYS 401 N -0.37 1.32 -0.20 1.61 1.02 -0.37 -3.89 119.74 118.85 3hlv s LYS 401 Ca 0.00 -1.58 0.01 0.00 0.02 0.00 0.00 55.97 54.42 3hlv s LYS 401 Cb 0.00 -1.11 0.04 0.00 -0.52 0.00 0.00 37.83 36.24 3hlv s LYS 401 CO 0.00 0.18 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.99 3hlv s LEU 402 N -3.30 2.38 -0.89 3.17 1.43 0.74 -4.77 118.68 117.43 3hlv s LEU 402 Ca 0.22 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 52.22 3hlv s LEU 402 Cb -0.01 -1.29 0.13 0.00 0.03 0.00 0.00 46.19 45.05 3hlv s LEU 402 CO 0.07 -0.14 1.08 -0.22 0.23 0.00 0.00 176.35 177.37 3hlv s LEU 403 N 1.36 5.10 0.09 1.79 2.96 -1.26 -1.29 118.68 127.42 3hlv s LEU 403 Ca -0.01 -1.97 -0.16 0.00 -0.22 0.00 0.00 54.13 51.76 3hlv s LEU 403 Cb -0.16 -2.39 -0.09 0.00 0.50 0.00 0.00 46.19 44.05 3hlv s LEU 403 CO -0.08 -1.07 1.42 -0.26 -1.32 0.00 0.00 176.35 175.04 3hlv h PHE 404 N 8.85 0.73 -3.16 5.38 -1.00 -1.50 -3.42 116.94 122.82 3hlv h PHE 404 Ca 0.11 -0.21 -0.11 0.00 2.81 0.00 0.00 57.97 60.56 3hlv h PHE 404 Cb 1.03 -0.16 -0.19 0.00 3.61 0.00 0.00 35.95 40.24 3hlv h PHE 404 CO 1.13 0.91 -0.29 0.00 -1.61 0.00 0.00 178.31 178.45 3hlv s ALA 405 N -4.44 -0.70 -0.33 2.45 0.00 -0.91 -4.88 121.76 112.95 3hlv s ALA 405 Ca -0.13 0.19 0.18 0.00 0.00 0.00 0.00 51.96 52.19 3hlv s ALA 405 Cb 0.08 0.14 0.96 0.00 0.00 0.00 0.00 23.12 24.30 3hlv s ALA 405 CO 0.81 -0.29 1.54 -2.30 0.00 0.00 0.00 175.76 175.51 3hlv n PRO 406 N 1.11 0.11 -0.08 0.00 -0.02 -1.26 0.14 135.00 135.01 3hlv n PRO 406 Ca -0.21 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 3hlv n PRO 406 Cb 0.57 -1.89 0.09 0.00 -0.02 0.00 0.00 33.50 32.25 3hlv n PRO 406 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hlv n ASN 407 N -2.12 2.33 -3.64 2.55 0.23 -1.26 -4.74 115.26 108.61 3hlv n ASN 407 Ca -0.01 -1.73 -0.29 0.00 -0.53 0.00 0.00 54.58 52.02 3hlv n ASN 407 Cb 0.04 -0.11 -0.12 0.00 -2.08 0.00 0.00 39.78 37.51 3hlv n ASN 407 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3hlv s LEU 408 N -0.90 2.44 -0.29 -4.53 2.96 0.38 -4.89 118.68 113.86 3hlv s LEU 408 Ca 0.16 -2.77 -0.00 0.00 -0.22 0.00 0.00 54.13 51.29 3hlv s LEU 408 Cb 0.09 -0.90 0.06 0.00 0.50 0.00 0.00 46.19 45.94 3hlv s LEU 408 CO 0.12 -0.24 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.67 3hlv s LEU 409 N 0.21 3.81 0.29 -0.68 2.96 -1.24 -1.21 118.68 122.82 3hlv s LEU 409 Ca 0.21 -1.34 0.07 0.00 -0.22 0.00 0.00 54.13 52.85 3hlv s LEU 409 Cb -0.17 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3hlv s LEU 409 CO -0.05 -0.25 0.23 -0.76 -1.32 0.00 0.00 176.35 174.20 3hlv s LEU 410 N 1.20 3.65 0.00 -0.68 1.02 -0.41 -4.90 118.68 118.56 3hlv s LEU 410 Ca -0.06 -0.41 0.03 0.00 0.02 0.00 0.00 54.13 53.71 3hlv s LEU 410 Cb -0.20 -2.22 -0.01 0.00 0.02 0.00 0.00 46.19 43.78 3hlv s LEU 410 CO -0.02 -0.19 0.09 -0.90 0.02 0.00 0.00 176.35 175.35 3hlv n ASP 411 N -1.25 1.03 -0.26 2.29 5.75 -1.26 -0.19 116.55 122.67 3hlv n ASP 411 Ca -0.05 -2.30 -0.10 0.00 -0.01 0.00 0.00 54.79 52.33 3hlv n ASP 411 Cb 0.59 0.64 -0.08 0.00 -1.03 0.00 0.00 41.12 41.23 3hlv n ASP 411 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3hlv h ARG 412 N 0.00 -0.13 -0.76 0.11 1.12 -1.98 -2.51 114.38 110.23 3hlv h ARG 412 Ca -0.19 0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.64 3hlv h ARG 412 Cb 0.73 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.68 3hlv h ARG 412 CO 0.30 -0.09 0.28 -0.91 -3.11 0.00 0.00 179.97 176.44 3hlv h ASN 413 N -0.14 1.05 -0.06 -3.80 -0.26 -1.98 -1.78 115.58 108.61 3hlv h ASN 413 Ca 0.10 -0.17 0.02 0.00 -0.56 0.00 0.00 56.30 55.69 3hlv h ASN 413 Cb 0.41 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3hlv h ASN 413 CO -0.67 0.94 0.05 1.56 -1.06 0.00 0.00 177.43 178.25 3hlv h GLN 414 N 1.11 0.00 -0.28 0.81 4.20 -1.87 0.11 115.11 119.19 3hlv h GLN 414 Ca 0.25 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 3hlv h GLN 414 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3hlv h GLN 414 CO -0.02 0.00 -0.08 0.78 -0.67 0.00 0.00 178.83 178.84 3hlv h GLY 415 N 0.00 0.48 2.00 3.46 0.00 -1.10 -2.77 103.07 105.14 3hlv h GLY 415 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3hlv h GLY 415 CO -0.00 0.29 0.00 0.28 0.00 0.00 0.00 176.54 177.11 3hlv n LYS 416 N -4.24 0.09 0.32 4.80 5.02 0.37 -2.48 118.16 122.03 3hlv n LYS 416 Ca 0.01 0.49 0.20 0.00 -2.02 0.00 0.00 58.31 56.99 3hlv n LYS 416 Cb 0.28 -1.74 1.03 0.00 -0.02 0.00 0.00 35.03 34.59 3hlv n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hlv s VAL 418 N -4.06 1.23 0.24 0.00 -7.23 -1.04 -3.85 120.40 105.69 3hlv s VAL 418 Ca -0.03 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 3hlv s VAL 418 Cb 0.12 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.91 3hlv s VAL 418 CO 0.47 0.20 0.98 -1.83 -0.31 0.00 0.00 175.10 174.60 3hlv s GLU 419 N -0.74 4.80 0.00 4.82 -1.05 -1.26 -2.80 118.70 122.46 3hlv s GLU 419 Ca 0.05 1.56 0.00 0.00 -0.15 0.00 0.00 54.97 56.42 3hlv s GLU 419 Cb -0.07 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.35 3hlv s GLU 419 CO 0.00 0.43 0.00 0.41 0.95 0.00 0.00 175.26 177.05 3hlv n GLY 420 N 1.50 3.13 0.18 -3.83 0.00 -1.26 -4.89 105.19 100.02 3hlv n GLY 420 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3hlv n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hlv h MET 421 N 1.53 0.17 -0.20 1.61 -1.53 -1.76 -3.31 114.93 111.44 3hlv h MET 421 Ca 0.00 -0.09 -0.17 0.00 -3.44 0.00 0.00 59.70 56.00 3hlv h MET 421 Cb 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3hlv h MET 421 CO 0.00 0.61 -0.56 -0.24 0.14 0.00 0.00 176.91 176.86 3hlv h VAL 422 N 0.14 1.31 -0.75 -5.77 3.04 -1.76 -1.08 116.25 111.37 3hlv h VAL 422 Ca 0.01 -1.81 0.08 0.00 -1.01 0.00 0.00 66.70 63.97 3hlv h VAL 422 Cb 0.89 1.77 -0.07 0.00 -2.01 0.00 0.00 31.29 31.88 3hlv h VAL 422 CO 0.07 0.57 0.41 -0.08 -1.01 0.00 0.00 177.57 177.53 3hlv h GLU 423 N 0.46 0.70 -0.14 4.17 4.57 -1.96 0.24 114.58 122.62 3hlv h GLU 423 Ca 0.01 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.97 3hlv h GLU 423 Cb 1.12 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 3hlv h GLU 423 CO 0.11 0.46 -0.63 0.82 -1.18 0.00 0.00 179.01 178.59 3hlv h ILE 424 N 0.72 1.34 0.15 2.32 5.03 -1.62 -2.40 117.51 123.05 3hlv h ILE 424 Ca 0.36 -1.93 0.02 0.00 -0.12 0.00 0.00 64.86 63.18 3hlv h ILE 424 Cb 0.30 1.91 -0.03 0.00 -3.03 0.00 0.00 36.82 35.97 3hlv h ILE 424 CO -0.23 0.59 -0.30 -0.26 -0.68 0.00 0.00 178.15 177.27 3hlv h PHE 425 N 0.38 -0.80 -0.62 1.37 -1.00 -0.39 -1.08 116.94 114.80 3hlv h PHE 425 Ca -0.01 0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.91 3hlv h PHE 425 Cb 1.19 0.33 -0.12 0.00 3.61 0.00 0.00 35.95 40.96 3hlv h PHE 425 CO 0.05 -0.41 -0.15 -0.44 -1.61 0.00 0.00 178.31 175.75 3hlv h ASP 426 N -0.54 -0.57 0.00 2.17 3.32 -0.40 0.16 116.42 120.56 3hlv h ASP 426 Ca 0.02 0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3hlv h ASP 426 Cb 0.55 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3hlv h ASP 426 CO -0.15 -0.20 -0.00 0.24 -1.72 0.00 0.00 179.24 177.40 3hlv h MET 427 N 0.00 -0.00 -0.87 3.56 2.86 -1.35 -1.77 114.93 117.35 3hlv h MET 427 Ca 0.30 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.15 3hlv h MET 427 Cb 0.46 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 3hlv h MET 427 CO -0.64 0.29 0.35 -0.07 1.06 0.00 0.00 176.91 177.91 3hlv h LEU 428 N -0.30 0.27 -0.07 1.22 3.38 -0.61 0.19 115.31 119.39 3hlv h LEU 428 Ca -0.00 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hlv h LEU 428 Cb 0.30 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hlv h LEU 428 CO 0.00 -0.01 0.02 -0.07 0.09 0.00 0.00 178.44 178.47 3hlv h LEU 429 N 0.38 0.11 -0.71 1.67 3.38 -0.54 -2.24 115.31 117.35 3hlv h LEU 429 Ca 0.54 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.33 3hlv h LEU 429 Cb 1.00 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 3hlv h LEU 429 CO -0.53 0.32 0.40 0.00 0.09 0.00 0.00 178.44 178.72 3hlv h ALA 430 N 0.79 0.96 -0.52 1.53 0.00 -0.36 -0.99 119.26 120.68 3hlv h ALA 430 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hlv h ALA 430 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hlv h ALA 430 CO 0.00 0.07 0.34 1.15 0.00 0.00 0.00 179.25 180.80 3hlv h THR 431 N 0.72 1.14 -0.08 0.00 2.02 -0.51 -1.51 112.91 114.69 3hlv h THR 431 Ca 0.32 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3hlv h THR 431 Cb 0.22 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3hlv h THR 431 CO -0.20 0.13 -0.05 -1.28 0.37 0.00 0.00 175.52 174.49 3hlv h SER 432 N 0.71 0.18 -0.72 4.18 0.87 -0.65 -2.55 113.55 115.56 3hlv h SER 432 Ca 0.19 -0.45 0.10 0.00 -1.23 0.00 0.00 61.79 60.40 3hlv h SER 432 Cb -0.07 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 61.76 3hlv h SER 432 CO -0.04 0.59 0.35 -1.28 -0.53 0.00 0.00 176.83 175.92 3hlv h SER 433 N -0.23 0.44 -0.01 6.23 0.87 -0.93 -1.70 113.55 118.22 3hlv h SER 433 Ca 0.02 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3hlv h SER 433 Cb 0.53 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3hlv h SER 433 CO 0.01 0.24 -0.09 -0.09 -0.53 0.00 0.00 176.83 176.37 3hlv h ARG 434 N 0.58 0.24 0.00 2.24 9.65 -1.22 0.13 114.38 126.00 3hlv h ARG 434 Ca 0.37 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.08 3hlv h ARG 434 Cb 0.42 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3hlv h ARG 434 CO -0.29 0.35 -0.54 0.74 2.80 0.00 0.00 179.97 183.03 3hlv h PHE 435 N 0.23 0.00 0.13 2.20 0.05 -0.90 -1.43 116.94 117.23 3hlv h PHE 435 Ca 0.05 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.63 3hlv h PHE 435 Cb 0.32 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.28 3hlv h PHE 435 CO 0.00 0.54 -0.98 -0.09 -0.18 0.00 0.00 178.31 177.60 3hlv h ARG 436 N 0.00 0.28 -0.64 1.51 2.43 -0.75 0.52 114.38 117.74 3hlv h ARG 436 Ca -0.01 -0.49 0.11 0.00 -0.81 0.00 0.00 59.98 58.79 3hlv h ARG 436 Cb 1.02 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.67 3hlv h ARG 436 CO 0.07 1.23 0.21 0.52 -1.51 0.00 0.00 179.97 180.50 3hlv h MET 437 N -0.36 0.36 -0.00 0.20 2.86 -0.80 -1.59 114.93 115.60 3hlv h MET 437 Ca -0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3hlv h MET 437 Cb 1.68 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.25 3hlv h MET 437 CO 0.12 0.24 -0.04 -0.12 1.06 0.00 0.00 176.91 178.18 3hlv n MET 438 N -5.04 0.74 -3.48 1.72 0.00 -0.54 -4.95 117.12 105.57 3hlv n MET 438 Ca 0.10 -0.13 -0.23 0.00 -0.00 0.00 0.00 57.70 57.44 3hlv n MET 438 Cb 0.32 -1.50 0.06 0.00 0.00 0.00 0.00 33.22 32.10 3hlv n MET 438 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hlv n ASN 439 N -1.02 -5.53 -4.73 6.12 4.05 -0.55 -4.89 115.26 108.71 3hlv n ASN 439 Ca 0.17 -0.85 -0.42 0.00 0.45 0.00 0.00 54.58 53.93 3hlv n ASN 439 Cb 0.22 -4.31 -0.03 0.00 1.23 0.00 0.00 39.78 36.89 3hlv n ASN 439 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3hlv s LEU 440 N -5.99 4.37 0.33 1.20 1.98 0.07 -5.01 118.68 115.62 3hlv s LEU 440 Ca 0.42 2.73 -0.02 0.00 -2.89 0.00 0.00 54.13 54.37 3hlv s LEU 440 Cb -0.10 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.10 3hlv s LEU 440 CO 0.80 -0.86 0.57 -1.10 -1.89 0.00 0.00 176.35 173.87 3hlv s GLN 441 N 0.78 3.55 0.43 1.98 -1.52 -1.26 -4.98 119.66 118.64 3hlv s GLN 441 Ca 0.69 -0.13 0.22 0.00 -1.95 0.00 0.00 55.36 54.19 3hlv s GLN 441 Cb -0.46 -2.63 0.93 0.00 -0.22 0.00 0.00 33.01 30.63 3hlv s GLN 441 CO 0.35 0.15 1.84 0.78 -0.25 0.00 0.00 175.29 178.16 3hlv h GLY 442 N 1.15 0.00 2.00 3.09 0.00 -1.98 -0.34 103.07 106.98 3hlv h GLY 442 Ca -0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3hlv h GLY 442 CO 0.64 0.00 -0.29 0.83 0.00 0.00 0.00 176.54 177.72 3hlv h GLU 443 N 0.00 0.00 0.01 4.80 3.07 -1.97 -2.13 114.58 118.35 3hlv h GLU 443 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 3hlv h GLU 443 Cb 0.71 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 3hlv h GLU 443 CO 0.03 0.29 -0.98 0.93 -1.40 0.00 0.00 179.01 177.89 3hlv h GLU 444 N 0.00 0.02 -0.02 2.33 5.08 -1.67 -3.32 114.58 117.00 3hlv h GLU 444 Ca -0.00 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 3hlv h GLU 444 Cb 1.15 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.43 3hlv h GLU 444 CO 0.04 0.98 -0.82 0.35 -1.00 0.00 0.00 179.01 178.56 3hlv h PHE 445 N 0.01 0.87 0.00 4.33 3.57 -0.82 -2.67 116.94 122.23 3hlv h PHE 445 Ca -0.02 -0.46 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 3hlv h PHE 445 Cb 1.72 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 3hlv h PHE 445 CO 0.01 1.28 -0.20 -0.39 -2.23 0.00 0.00 178.31 176.78 3hlv h VAL 446 N 0.21 0.55 0.06 1.41 -1.51 -1.55 -1.22 116.25 114.20 3hlv h VAL 446 Ca -0.10 -0.97 -0.10 0.00 -1.23 0.00 0.00 66.70 64.30 3hlv h VAL 446 Cb 1.49 1.66 0.01 0.00 -2.13 0.00 0.00 31.29 32.32 3hlv h VAL 446 CO 0.16 0.20 -0.44 0.00 -1.23 0.00 0.00 177.57 176.26 3hlv h LEU 448 N -0.57 -0.62 -0.67 0.00 3.38 -1.37 -0.42 115.31 115.04 3hlv h LEU 448 Ca -0.07 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.15 3hlv h LEU 448 Cb 1.29 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 42.35 3hlv h LEU 448 CO 0.08 -0.21 0.32 0.50 0.09 0.00 0.00 178.44 179.23 3hlv h LYS 449 N -0.06 0.55 -0.14 1.13 3.64 -1.26 -0.72 116.57 119.71 3hlv h LYS 449 Ca 0.24 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3hlv h LYS 449 Cb 0.43 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3hlv h LYS 449 CO -0.55 0.36 -0.32 0.77 -2.27 0.00 0.00 179.45 177.45 3hlv h SER 450 N 0.57 0.28 -0.35 4.20 0.02 -1.00 -2.55 113.55 114.72 3hlv h SER 450 Ca 0.32 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3hlv h SER 450 Cb 0.32 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3hlv h SER 450 CO -0.25 0.59 -0.20 0.40 -1.14 0.00 0.00 176.83 176.23 3hlv h ILE 451 N 0.24 1.29 -0.30 3.27 2.04 -0.26 -2.64 117.51 121.15 3hlv h ILE 451 Ca 0.03 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3hlv h ILE 451 Cb 0.68 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3hlv h ILE 451 CO 0.05 0.43 0.14 0.40 0.00 0.00 0.00 178.15 179.17 3hlv h ILE 452 N 0.53 1.11 0.59 -0.67 2.04 -0.99 0.19 117.51 120.31 3hlv h ILE 452 Ca 0.07 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3hlv h ILE 452 Cb 0.74 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3hlv h ILE 452 CO 0.06 0.13 -0.28 0.25 0.00 0.00 0.00 178.15 178.30 3hlv h LEU 453 N 0.42 -0.67 -0.41 1.44 5.85 -1.32 -3.11 115.31 117.51 3hlv h LEU 453 Ca 0.11 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3hlv h LEU 453 Cb 0.06 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hlv h LEU 453 CO -0.01 -0.32 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.68 3hlv h LEU 454 N -1.10 0.72 0.02 2.25 3.38 -1.32 -3.34 115.31 115.92 3hlv h LEU 454 Ca -0.08 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 3hlv h LEU 454 Cb 0.61 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hlv h LEU 454 CO 0.13 0.86 -0.55 -1.13 0.09 0.00 0.00 178.44 177.83 3hlv h ASN 455 N 0.56 0.46 -0.40 -0.43 -0.73 -0.77 -3.33 115.58 110.95 3hlv h ASN 455 Ca 0.11 -0.79 0.05 0.00 1.87 0.00 0.00 56.30 57.55 3hlv h ASN 455 Cb 0.50 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 3hlv h ASN 455 CO 0.02 1.19 0.27 0.28 -0.37 0.00 0.00 177.43 178.83 3hlv h SER 456 N -0.23 0.27 -0.01 1.15 0.02 -1.66 -0.69 113.55 112.39 3hlv h SER 456 Ca -0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3hlv h SER 456 Cb 1.30 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3hlv h SER 456 CO 0.11 0.18 -0.58 0.61 -1.14 0.00 0.00 176.83 176.00 3hlv n GLY 457 N -1.53 -0.22 0.33 -3.77 0.00 -1.26 -4.67 105.19 94.07 3hlv n GLY 457 Ca 0.05 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.56 3hlv n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hlv h VAL 458 N 1.68 0.98 -0.00 1.61 3.04 -1.22 -1.07 116.25 121.26 3hlv h VAL 458 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3hlv h VAL 458 Cb 0.65 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3hlv h VAL 458 CO 0.00 0.08 -0.23 0.00 -1.01 0.00 0.00 177.57 176.41 3hlv n TYR 459 N -4.48 0.00 -0.76 3.17 4.11 -1.26 -2.51 117.16 115.43 3hlv n TYR 459 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.04 3hlv n TYR 459 Cb 0.23 -0.26 0.28 0.00 -0.00 0.00 0.00 39.34 39.59 3hlv n TYR 459 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 3hlv n THR 460 N -1.18 2.03 0.00 -3.48 5.66 -0.41 -4.44 114.28 112.46 3hlv n THR 460 Ca 0.10 -1.53 0.00 0.00 -3.05 0.00 0.00 64.05 59.57 3hlv n THR 460 Cb 0.32 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 3hlv n THR 460 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3hlv n PHE 461 N 0.12 0.00 0.00 1.09 -1.74 -1.21 -5.13 117.46 110.59 3hlv n PHE 461 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 3hlv n PHE 461 Cb 0.85 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.85 3hlv n PHE 461 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 3hlv n LEU 462 N -0.99 0.00 -2.18 5.98 7.94 -1.05 -4.93 117.00 121.77 3hlv n LEU 462 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3hlv n LEU 462 Cb 0.09 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.02 3hlv n LEU 462 CO 0.00 0.00 -0.16 -1.54 -1.11 0.00 0.00 177.39 174.58 3hlv n SER 468 N 0.00 -4.02 -0.55 1.96 3.41 -1.26 -3.96 113.62 109.20 3hlv n SER 468 Ca 0.00 0.21 0.45 0.00 -0.26 0.00 0.00 58.87 59.27 3hlv n SER 468 Cb 0.00 -3.48 0.76 0.00 -0.26 0.00 0.00 64.21 61.23 3hlv n SER 468 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 3hlv h LEU 469 N 0.00 0.07 0.00 1.04 -0.00 -1.99 0.09 115.31 114.52 3hlv h LEU 469 Ca -0.31 0.04 -0.18 0.00 -0.00 0.00 0.00 57.88 57.43 3hlv h LEU 469 Cb 1.15 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 3hlv h LEU 469 CO 0.38 -0.05 -2.05 -0.62 -0.00 0.00 0.00 178.44 176.11 3hlv n GLU 470 N -4.20 0.67 0.06 0.17 -0.58 -1.26 -3.14 120.64 112.36 3hlv n GLU 470 Ca 0.38 -0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.95 3hlv n GLU 470 Cb 1.69 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 30.90 3hlv n GLU 470 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3hlv h GLU 471 N 0.00 -0.16 0.00 3.49 5.08 -1.85 -3.22 114.58 117.92 3hlv h GLU 471 Ca -0.26 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hlv h GLU 471 Cb 1.62 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3hlv h GLU 471 CO 0.02 0.17 0.00 1.17 -1.00 0.00 0.00 179.01 179.37 3hlv n LYS 472 N -5.01 0.00 0.00 2.33 4.81 -0.01 -0.98 118.16 119.30 3hlv n LYS 472 Ca -0.09 0.37 0.06 0.00 -0.87 0.00 0.00 58.31 57.78 3hlv n LYS 472 Cb 0.22 -0.60 0.26 0.00 0.02 0.00 0.00 35.03 34.92 3hlv n LYS 472 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hlv n ASP 473 N -1.73 0.00 0.10 3.14 10.43 -1.19 -1.89 116.55 125.41 3hlv n ASP 473 Ca 0.00 0.41 0.07 0.00 2.57 0.00 0.00 54.79 57.84 3hlv n ASP 473 Cb 0.00 -0.45 -0.01 0.00 1.84 0.00 0.00 41.12 42.50 3hlv n ASP 473 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 3hlv h HIS 474 N 0.00 0.00 -0.34 1.24 -0.00 -1.06 -0.22 115.15 114.76 3hlv h HIS 474 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.20 3hlv h HIS 474 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3hlv h HIS 474 CO 0.00 0.23 -0.43 0.82 -0.00 0.00 0.00 177.93 178.55 3hlv h ILE 475 N 0.00 1.28 -0.28 6.26 2.04 -0.95 -2.83 117.51 123.02 3hlv h ILE 475 Ca -0.05 -1.61 -0.08 0.00 1.00 0.00 0.00 64.86 64.11 3hlv h ILE 475 Cb 1.23 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3hlv h ILE 475 CO 0.02 0.53 -0.17 0.45 0.00 0.00 0.00 178.15 178.98 3hlv h HIS 476 N 0.71 0.54 0.00 1.37 3.86 -1.33 -1.91 115.15 118.39 3hlv h HIS 476 Ca 0.05 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3hlv h HIS 476 Cb 1.02 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 3hlv h HIS 476 CO 0.06 0.64 -0.15 0.00 0.86 0.00 0.00 177.93 179.35 3hlv h ARG 477 N 0.45 0.00 0.17 2.45 2.47 -0.98 -1.90 114.38 117.04 3hlv h ARG 477 Ca 0.08 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.45 3hlv h ARG 477 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 3hlv h ARG 477 CO 0.04 0.15 -1.76 0.28 0.56 0.00 0.00 179.97 179.23 3hlv h VAL 478 N 0.00 0.89 -0.29 2.04 2.07 -1.26 -3.11 116.25 116.60 3hlv h VAL 478 Ca -0.00 -2.47 -0.03 0.00 0.82 0.00 0.00 66.70 65.01 3hlv h VAL 478 Cb 0.88 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 3hlv h VAL 478 CO 0.02 0.85 0.04 0.25 0.02 0.00 0.00 177.57 178.75 3hlv h LEU 479 N 0.07 0.38 0.51 2.57 5.85 -1.23 -0.64 115.31 122.81 3hlv h LEU 479 Ca -0.36 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3hlv h LEU 479 Cb 2.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.00 3hlv h LEU 479 CO 0.15 0.42 -0.24 0.44 -0.34 0.00 0.00 178.44 178.87 3hlv h ASP 480 N 0.41 -0.58 -0.93 1.25 3.45 -1.45 -2.79 116.42 115.79 3hlv h ASP 480 Ca 0.10 -0.06 0.23 0.00 0.43 0.00 0.00 57.03 57.73 3hlv h ASP 480 Cb 0.21 0.15 -0.17 0.00 -0.56 0.00 0.00 39.33 38.96 3hlv h ASP 480 CO 0.00 -0.27 -0.06 0.29 -1.57 0.00 0.00 179.24 177.62 3hlv n LYS 481 N -5.31 -0.08 0.03 3.56 4.76 -0.74 -1.27 118.16 119.12 3hlv n LYS 481 Ca -0.11 1.41 -0.02 0.00 -2.87 0.00 0.00 58.31 56.71 3hlv n LYS 481 Cb 0.31 -2.20 0.24 0.00 -1.84 0.00 0.00 35.03 31.54 3hlv n LYS 481 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3hlv h ILE 482 N 0.00 1.25 -0.05 -0.18 2.04 -0.92 0.20 117.51 119.86 3hlv h ILE 482 Ca 0.52 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.07 3hlv h ILE 482 Cb 1.00 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3hlv h ILE 482 CO -0.90 0.37 -0.56 0.71 0.00 0.00 0.00 178.15 177.78 3hlv h THR 483 N 0.39 1.38 0.38 -0.27 1.35 -0.92 0.28 112.91 115.50 3hlv h THR 483 Ca 0.06 -1.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.01 3hlv h THR 483 Cb 0.61 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3hlv h THR 483 CO 0.04 0.55 -0.18 0.44 -0.25 0.00 0.00 175.52 176.12 3hlv h ASP 484 N 0.11 -0.43 -0.34 5.36 5.19 -0.49 -1.05 116.42 124.77 3hlv h ASP 484 Ca -0.00 -0.09 0.07 0.00 -0.62 0.00 0.00 57.03 56.39 3hlv h ASP 484 Cb 1.02 0.11 -0.08 0.00 0.18 0.00 0.00 39.33 40.55 3hlv h ASP 484 CO 0.08 -0.15 -0.30 0.74 -3.12 0.00 0.00 179.24 176.49 3hlv h THR 485 N -0.72 0.28 -0.80 0.35 2.02 -0.54 -0.29 112.91 113.22 3hlv h THR 485 Ca -0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.25 3hlv h THR 485 Cb 0.50 0.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 3hlv h THR 485 CO 0.09 0.00 0.40 0.25 0.37 0.00 0.00 175.52 176.63 3hlv h LEU 486 N -0.26 0.51 -0.05 2.58 5.85 -0.30 -1.48 115.31 122.15 3hlv h LEU 486 Ca 0.16 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3hlv h LEU 486 Cb 0.52 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hlv h LEU 486 CO -0.49 0.25 -0.03 0.40 -0.34 0.00 0.00 178.44 178.23 3hlv h ILE 487 N 0.63 1.34 -0.38 4.05 1.08 -0.79 -2.76 117.51 120.67 3hlv h ILE 487 Ca 0.42 -1.06 0.11 0.00 -0.39 0.00 0.00 64.86 63.94 3hlv h ILE 487 Cb 0.52 1.93 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 3hlv h ILE 487 CO -0.32 0.29 0.44 -0.74 -0.69 0.00 0.00 178.15 177.12 3hlv h HIS 488 N -0.28 0.00 0.17 1.37 2.76 -0.56 0.55 115.15 119.16 3hlv h HIS 488 Ca 0.01 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.89 3hlv h HIS 488 Cb 0.48 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.46 3hlv h HIS 488 CO 0.07 0.00 -1.32 -0.07 -1.30 0.00 0.00 177.93 175.31 3hlv h LEU 489 N 0.00 0.59 -0.26 0.26 3.38 -1.10 -2.89 115.31 115.28 3hlv h LEU 489 Ca 0.18 -0.62 -0.20 0.00 0.09 0.00 0.00 57.88 57.32 3hlv h LEU 489 Cb 1.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hlv h LEU 489 CO -0.00 1.48 -0.67 0.24 0.09 0.00 0.00 178.44 179.58 3hlv h MET 490 N 0.11 0.78 -0.32 1.13 2.86 0.21 -0.92 114.93 118.78 3hlv h MET 490 Ca -0.18 -0.57 0.07 0.00 -2.06 0.00 0.00 59.70 56.97 3hlv h MET 490 Cb 2.03 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 33.72 3hlv h MET 490 CO 0.23 1.19 -0.15 0.00 1.06 0.00 0.00 176.91 179.24 3hlv h ALA 491 N 0.67 0.10 0.00 6.32 0.00 -0.73 -0.51 119.26 125.11 3hlv h ALA 491 Ca -0.02 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3hlv h ALA 491 Cb 1.28 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3hlv h ALA 491 CO 0.14 -0.54 -0.46 -0.22 0.00 0.00 0.00 179.25 178.17 3hlv h LYS 492 N -0.10 0.00 0.00 0.00 1.63 -1.26 0.76 116.57 117.60 3hlv h LYS 492 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3hlv h LYS 492 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3hlv h LYS 492 CO -0.38 0.46 0.00 0.00 -3.45 0.00 0.00 179.45 176.08 3hlv n ALA 493 N -2.42 1.85 -1.39 5.00 0.00 -0.38 -4.88 120.51 118.31 3hlv n ALA 493 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hlv n ALA 493 Cb 0.50 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hlv n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hlv n GLY 494 N 0.33 0.84 3.77 0.00 0.00 0.26 -5.06 105.19 105.33 3hlv n GLY 494 Ca 0.05 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3hlv n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hlv s LEU 495 N 0.00 4.56 0.44 0.99 1.02 -0.21 -5.02 118.68 120.46 3hlv s LEU 495 Ca 0.00 1.59 -0.24 0.00 0.02 0.00 0.00 54.13 55.50 3hlv s LEU 495 Cb 0.00 -3.27 -0.08 0.00 0.02 0.00 0.00 46.19 42.87 3hlv s LEU 495 CO 0.00 0.17 1.19 0.42 0.02 0.00 0.00 176.35 178.15 3hlv s THR 496 N -0.90 3.01 0.52 5.49 -4.23 -1.26 -4.40 115.64 113.87 3hlv s THR 496 Ca 0.36 0.80 0.44 0.00 -1.18 0.00 0.00 61.69 62.11 3hlv s THR 496 Cb -0.22 -3.42 0.66 0.00 1.34 0.00 0.00 72.50 70.86 3hlv s THR 496 CO 0.25 0.03 1.57 0.25 -0.54 0.00 0.00 174.62 176.18 3hlv h LEU 497 N 2.24 0.07 0.00 4.79 6.46 -1.97 0.49 115.31 127.39 3hlv h LEU 497 Ca -0.49 0.06 -0.22 0.00 -0.12 0.00 0.00 57.88 57.10 3hlv h LEU 497 Cb 1.25 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 3hlv h LEU 497 CO 0.61 -0.09 -1.27 1.56 -0.62 0.00 0.00 178.44 178.62 3hlv h GLN 498 N 0.00 0.00 -0.32 1.25 4.20 -2.00 -3.15 115.11 115.09 3hlv h GLN 498 Ca 0.93 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 59.48 3hlv h GLN 498 Cb 3.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 31.25 3hlv h GLN 498 CO -0.17 0.62 -0.43 1.96 -0.67 0.00 0.00 178.83 180.14 3hlv h GLN 499 N 0.00 0.81 -0.02 1.46 4.20 -0.52 -2.29 115.11 118.75 3hlv h GLN 499 Ca -0.14 -0.44 0.03 0.00 0.06 0.00 0.00 58.65 58.16 3hlv h GLN 499 Cb 1.78 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.53 3hlv h GLN 499 CO 0.09 1.08 -0.43 1.96 -0.67 0.00 0.00 178.83 180.85 3hlv h GLN 500 N 0.65 -0.55 -0.01 1.46 4.20 -0.82 0.41 115.11 120.44 3hlv h GLN 500 Ca 0.04 0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3hlv h GLN 500 Cb 1.00 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3hlv h GLN 500 CO 0.10 -0.37 -0.66 1.12 -0.67 0.00 0.00 178.83 178.35 3hlv h HIS 501 N -0.57 0.07 -0.34 2.96 2.07 -1.65 -1.64 115.15 116.04 3hlv h HIS 501 Ca 0.05 -0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 3hlv h HIS 501 Cb 0.66 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.61 3hlv h HIS 501 CO -0.45 0.69 0.18 1.96 -3.07 0.00 0.00 177.93 177.25 3hlv h GLN 502 N 0.03 0.48 -0.07 5.12 4.20 -0.93 -2.25 115.11 121.70 3hlv h GLN 502 Ca -0.01 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.43 3hlv h GLN 502 Cb 1.17 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.87 3hlv h GLN 502 CO 0.09 0.41 -0.78 -0.09 -0.67 0.00 0.00 178.83 177.79 3hlv h ARG 503 N 0.43 0.65 -0.89 1.46 2.43 -0.96 -2.51 114.38 114.98 3hlv h ARG 503 Ca 0.12 -0.61 0.24 0.00 -0.81 0.00 0.00 59.98 58.92 3hlv h ARG 503 Cb 0.08 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 29.64 3hlv h ARG 503 CO -0.02 1.22 0.32 1.25 -1.51 0.00 0.00 179.97 181.23 3hlv h LEU 504 N 0.30 0.16 -0.48 3.80 5.85 -1.24 0.97 115.31 124.67 3hlv h LEU 504 Ca -0.08 0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3hlv h LEU 504 Cb 1.44 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 3hlv h LEU 504 CO 0.16 -0.10 -0.54 0.00 -0.34 0.00 0.00 178.44 177.62 3hlv h ALA 505 N 1.76 0.65 -0.41 1.25 0.00 -1.28 -2.37 119.26 118.87 3hlv h ALA 505 Ca 0.57 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hlv h ALA 505 Cb 1.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3hlv h ALA 505 CO -0.60 0.69 0.22 1.96 0.00 0.00 0.00 179.25 181.51 3hlv h GLN 506 N 0.48 0.57 -0.01 0.00 4.20 -0.49 -1.35 115.11 118.52 3hlv h GLN 506 Ca 0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hlv h GLN 506 Cb 1.10 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 3hlv h GLN 506 CO 0.11 0.47 0.00 -0.07 -0.67 0.00 0.00 178.83 178.67 3hlv h LEU 507 N 0.52 0.01 -1.42 1.46 3.38 -0.89 -2.95 115.31 115.43 3hlv h LEU 507 Ca 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hlv h LEU 507 Cb 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hlv h LEU 507 CO -0.02 0.08 -0.05 -0.07 0.09 0.00 0.00 178.44 178.47 3hlv h LEU 508 N -0.06 0.00 0.00 1.67 4.07 -1.31 -2.07 115.31 117.61 3hlv h LEU 508 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 3hlv h LEU 508 Cb 0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 3hlv h LEU 508 CO -0.00 0.05 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.10 3hlv h LEU 509 N 0.00 0.00 0.02 1.67 4.07 -1.11 -3.14 115.31 116.82 3hlv h LEU 509 Ca -0.00 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.69 3hlv h LEU 509 Cb 0.55 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.31 3hlv h LEU 509 CO 0.01 0.15 -1.07 0.40 -1.08 0.00 0.00 178.44 176.85 3hlv h ILE 510 N 0.00 1.28 -0.65 1.22 5.03 -1.21 -3.18 117.51 120.00 3hlv h ILE 510 Ca -0.01 -2.28 0.19 0.00 -0.12 0.00 0.00 64.86 62.65 3hlv h ILE 510 Cb 1.12 2.44 -0.03 0.00 -3.03 0.00 0.00 36.82 37.32 3hlv h ILE 510 CO 0.02 0.70 0.78 -0.07 -0.68 0.00 0.00 178.15 178.90 3hlv h LEU 511 N 0.37 0.00 -0.00 1.44 3.38 -1.47 0.99 115.31 120.01 3hlv h LEU 511 Ca -0.14 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.56 3hlv h LEU 511 Cb 1.73 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.50 3hlv h LEU 511 CO 0.21 0.00 -1.11 -1.28 0.09 0.00 0.00 178.44 176.35 3hlv h SER 512 N 0.00 0.72 -0.20 -0.43 0.87 -1.66 -1.03 113.55 111.82 3hlv h SER 512 Ca 0.31 -0.63 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 3hlv h SER 512 Cb 1.86 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.58 3hlv h SER 512 CO -0.00 1.44 -0.06 0.45 -0.53 0.00 0.00 176.83 178.13 3hlv h HIS 513 N 0.26 0.56 -0.16 2.24 3.86 0.80 -1.08 115.15 121.64 3hlv h HIS 513 Ca -0.14 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.86 3hlv h HIS 513 Cb 1.77 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 30.08 3hlv h HIS 513 CO 0.09 0.59 -0.51 0.82 0.86 0.00 0.00 177.93 179.78 3hlv h ILE 514 N 0.50 1.33 0.00 2.45 2.04 -0.81 -0.33 117.51 122.69 3hlv h ILE 514 Ca 0.10 -1.76 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 3hlv h ILE 514 Cb 0.42 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3hlv h ILE 514 CO 0.02 0.54 -0.38 -0.09 0.00 0.00 0.00 178.15 178.24 3hlv h ARG 515 N 0.35 0.00 -0.06 2.37 9.65 -0.80 -1.14 114.38 124.75 3hlv h ARG 515 Ca 0.01 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.70 3hlv h ARG 515 Cb 1.02 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.62 3hlv h ARG 515 CO 0.09 0.38 -0.72 1.25 2.80 0.00 0.00 179.97 183.77 3hlv h HIS 516 N 0.00 0.83 0.45 2.20 2.76 -0.70 -2.79 115.15 117.90 3hlv h HIS 516 Ca -0.00 -0.41 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 3hlv h HIS 516 Cb 0.77 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.63 3hlv h HIS 516 CO 0.00 1.23 -0.21 0.52 -1.30 0.00 0.00 177.93 178.16 3hlv h MET 517 N 0.20 -0.58 -0.91 5.26 2.86 -1.00 -2.37 114.93 118.39 3hlv h MET 517 Ca -0.07 0.04 0.25 0.00 -2.06 0.00 0.00 59.70 57.85 3hlv h MET 517 Cb 1.39 0.13 -0.14 0.00 0.06 0.00 0.00 31.60 33.04 3hlv h MET 517 CO 0.14 -0.35 0.36 1.03 1.06 0.00 0.00 176.91 179.16 3hlv h SER 518 N -0.67 0.23 -0.34 1.22 0.87 -1.28 0.13 113.55 113.71 3hlv h SER 518 Ca -0.06 0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 3hlv h SER 518 Cb 0.50 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3hlv h SER 518 CO 0.10 -0.10 -0.44 0.78 -0.53 0.00 0.00 176.83 176.65 3hlv h ASN 519 N 0.30 0.98 -0.20 6.23 -0.26 -1.42 0.96 115.58 122.17 3hlv h ASN 519 Ca 0.59 -0.49 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 3hlv h ASN 519 Cb 1.21 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 38.19 3hlv h ASN 519 CO -0.60 1.28 -0.04 0.11 -1.06 0.00 0.00 177.43 177.12 3hlv h LYS 520 N 0.70 0.38 -0.43 0.81 1.79 -0.63 -1.95 116.57 117.24 3hlv h LYS 520 Ca 0.04 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 3hlv h LYS 520 Cb 1.04 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 3hlv h LYS 520 CO 0.10 0.63 -0.00 0.78 -1.08 0.00 0.00 179.45 179.88 3hlv h GLY 521 N 0.11 0.76 2.00 3.86 0.00 -0.78 0.52 103.07 109.53 3hlv h GLY 521 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3hlv h GLY 521 CO 0.02 0.45 -0.20 1.98 0.00 0.00 0.00 176.54 178.80 3hlv h MET 522 N 0.66 0.01 0.09 4.80 1.85 -0.69 0.35 114.93 122.00 3hlv h MET 522 Ca 0.13 -0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.93 3hlv h MET 522 Cb 0.42 -0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.47 3hlv h MET 522 CO 0.02 0.20 -1.19 0.93 -0.40 0.00 0.00 176.91 176.47 3hlv h GLU 523 N 0.01 0.64 0.07 0.39 5.08 -0.49 -2.53 114.58 117.75 3hlv h GLU 523 Ca -0.00 -0.81 -0.00 0.00 -1.00 0.00 0.00 59.36 57.55 3hlv h GLU 523 Cb 0.35 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hlv h GLU 523 CO 0.03 1.36 -0.04 1.25 -1.00 0.00 0.00 179.01 180.61 3hlv h HIS 524 N 0.31 -0.09 -0.70 4.33 2.76 -0.58 -2.45 115.15 118.72 3hlv h HIS 524 Ca -0.17 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.13 3hlv h HIS 524 Cb 1.85 0.03 -0.09 0.00 1.55 0.00 0.00 27.41 30.75 3hlv h HIS 524 CO 0.11 0.12 0.23 1.25 -1.30 0.00 0.00 177.93 178.34 3hlv h LEU 525 N -0.29 0.16 -1.47 0.26 5.85 -0.37 0.17 115.31 119.61 3hlv h LEU 525 Ca -0.01 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3hlv h LEU 525 Cb 0.25 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3hlv h LEU 525 CO 0.02 0.06 -0.10 0.22 -0.34 0.00 0.00 178.44 178.30 3hlv h TYR 526 N 0.37 0.23 -0.48 1.25 5.03 -1.32 -2.30 116.97 119.75 3hlv h TYR 526 Ca 0.38 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.58 3hlv h TYR 526 Cb 0.58 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 3hlv h TYR 526 CO -0.20 0.32 -0.05 0.77 -1.32 0.00 0.00 178.16 177.69 3hlv h SER 527 N 0.21 0.87 -0.58 -2.11 0.02 -0.50 -2.60 113.55 108.87 3hlv h SER 527 Ca 0.05 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 3hlv h SER 527 Cb 0.31 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3hlv h SER 527 CO 0.02 0.99 0.31 0.24 -1.14 0.00 0.00 176.83 177.24 3hlv h MET 528 N 0.72 0.81 0.00 3.45 2.86 -0.84 0.26 114.93 122.19 3hlv h MET 528 Ca 0.13 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3hlv h MET 528 Cb 0.57 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3hlv h MET 528 CO 0.03 0.63 -0.03 -0.22 1.06 0.00 0.00 176.91 178.38 3hlv h LYS 529 N 0.78 0.00 0.00 1.72 3.64 -1.40 0.59 116.57 121.89 3hlv h LYS 529 Ca 0.20 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3hlv h LYS 529 Cb 0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3hlv h LYS 529 CO -0.03 0.03 -1.42 0.00 -2.27 0.00 0.00 179.45 175.76 3hlv n LYS 531 N -2.62 3.24 -2.23 0.00 3.00 0.76 -4.99 118.16 115.33 3hlv n LYS 531 Ca -0.05 -2.62 -0.12 0.00 -0.00 0.00 0.00 58.31 55.52 3hlv n LYS 531 Cb 0.65 -1.75 -0.01 0.00 0.00 0.00 0.00 35.03 33.91 3hlv n LYS 531 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3hlv n ASN 532 N 1.22 -3.66 -0.07 3.14 3.02 0.17 -4.84 115.26 114.24 3hlv n ASN 532 Ca 0.24 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.87 3hlv n ASN 532 Cb 0.76 -3.18 -0.05 0.00 -0.61 0.00 0.00 39.78 36.70 3hlv n ASN 532 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3hlv h VAL 533 N 0.00 1.31 -3.97 2.41 -1.51 -1.80 -3.45 116.25 109.25 3hlv h VAL 533 Ca -0.27 -1.61 -0.42 0.00 -1.23 0.00 0.00 66.70 63.16 3hlv h VAL 533 Cb 1.12 1.77 -0.22 0.00 -2.13 0.00 0.00 31.29 31.83 3hlv h VAL 533 CO 0.34 0.51 -0.78 0.68 -1.23 0.00 0.00 177.57 177.08 3hlv s VAL 534 N -4.12 1.11 0.46 7.19 -7.23 -1.26 -4.77 120.40 111.77 3hlv s VAL 534 Ca -0.12 -1.23 -0.20 0.00 -1.81 0.00 0.00 61.98 58.62 3hlv s VAL 534 Cb 0.08 -1.05 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 3hlv s VAL 534 CO 0.84 -0.17 0.98 -2.84 -0.31 0.00 0.00 175.10 173.60 3hlv s PRO 535 N -1.59 4.07 -0.05 4.82 0.02 -1.26 -4.74 135.00 136.28 3hlv s PRO 535 Ca -0.01 1.15 0.04 0.00 0.02 0.00 0.00 61.00 62.19 3hlv s PRO 535 Cb -0.09 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.28 3hlv s PRO 535 CO 0.02 -0.17 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.86 3hlv s LEU 536 N -3.42 1.84 0.05 -5.54 1.43 -1.26 -4.98 118.68 106.80 3hlv s LEU 536 Ca 0.63 -0.32 -0.38 0.00 -1.03 0.00 0.00 54.13 53.02 3hlv s LEU 536 Cb -0.11 -0.89 -0.18 0.00 0.03 0.00 0.00 46.19 45.04 3hlv s LEU 536 CO 0.18 0.11 1.23 -0.24 0.23 0.00 0.00 176.35 177.86 3hlv n SER 537 N 3.34 0.97 -0.15 2.29 2.88 -1.26 -4.64 113.62 117.05 3hlv n SER 537 Ca -0.19 1.14 0.28 0.00 -1.33 0.00 0.00 58.87 58.76 3hlv n SER 537 Cb 0.53 -1.08 0.62 0.00 -0.75 0.00 0.00 64.21 63.53 3hlv n SER 537 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3hlv h ASP 538 N 3.91 0.00 -0.13 -3.46 5.19 -1.99 0.68 116.42 120.62 3hlv h ASP 538 Ca -0.49 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.76 3hlv h ASP 538 Cb 1.37 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.89 3hlv h ASP 538 CO 0.72 0.00 -0.55 0.25 -3.12 0.00 0.00 179.24 176.55 3hlv h LEU 539 N 0.00 0.71 -1.33 1.55 5.85 -2.00 -2.83 115.31 117.26 3hlv h LEU 539 Ca 0.42 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3hlv h LEU 539 Cb 2.23 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 3hlv h LEU 539 CO -0.00 1.21 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.13 3hlv h LEU 540 N 0.24 0.30 -1.25 2.25 3.38 0.01 -2.11 115.31 118.13 3hlv h LEU 540 Ca -0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hlv h LEU 540 Cb 1.18 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3hlv h LEU 540 CO 0.11 0.45 0.03 -0.07 0.09 0.00 0.00 178.44 179.05 3hlv h LEU 541 N 0.30 0.50 -0.46 1.67 3.38 -1.23 -1.50 115.31 117.99 3hlv h LEU 541 Ca 0.06 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3hlv h LEU 541 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hlv h LEU 541 CO 0.02 0.55 -0.28 -0.33 0.09 0.00 0.00 178.44 178.49 3hlv h GLU 542 N 0.52 0.00 0.23 1.13 5.08 -1.14 -2.59 114.58 117.82 3hlv h GLU 542 Ca 0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.14 3hlv h GLU 542 Cb 0.29 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.57 3hlv h GLU 542 CO 0.01 0.28 -1.53 0.52 -1.00 0.00 0.00 179.01 177.29 3hlv h MET 543 N 0.00 0.49 0.00 2.33 2.86 -0.96 -3.01 114.93 116.64 3hlv h MET 543 Ca -0.00 -0.84 -0.12 0.00 -2.06 0.00 0.00 59.70 56.68 3hlv h MET 543 Cb 1.04 0.31 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 3hlv h MET 543 CO 0.04 1.40 -0.55 1.25 1.06 0.00 0.00 176.91 180.10 3hlv h LEU 544 N 0.13 0.00 0.00 1.22 6.46 -1.33 -2.99 115.31 118.80 3hlv h LEU 544 Ca -0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3hlv h LEU 544 Cb 2.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 3hlv h LEU 544 CO 0.25 0.55 -0.19 -0.78 -0.62 0.00 0.00 178.44 177.65 3hlv h ASP 545 N 0.00 0.00 1.26 1.25 3.58 -1.52 -1.83 116.42 119.16 3hlv h ASP 545 Ca -0.01 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 3hlv h ASP 545 Cb 1.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 3hlv h ASP 545 CO 0.07 0.03 -0.20 0.00 -2.88 0.00 0.00 179.24 176.25 3hlv h ALA 546 N 2.43 0.94 -2.26 -0.78 0.00 -1.38 -3.44 119.26 114.77 3hlv h ALA 546 Ca 0.00 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 54.25 3hlv h ALA 546 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hlv h ALA 546 CO 0.00 0.25 -0.37 -1.01 0.00 0.00 0.00 179.25 178.12 3hlv s HIS 547 N -3.43 3.47 0.00 0.00 3.76 -0.69 -5.02 115.29 113.38 3hlv s HIS 547 Ca 0.03 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 3hlv s HIS 547 Cb 0.08 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.10 3hlv s HIS 547 CO 0.65 0.37 0.00 -2.13 -0.85 0.00 0.00 174.74 172.78