#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a52 h LEU 306 N 0.00 -0.23 -0.77 2.46 3.38 -2.01 -3.35 115.31 114.79 1a52 h LEU 306 Ca 0.00 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.76 1a52 h LEU 306 Cb 0.00 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 1a52 h LEU 306 CO 0.00 0.29 -0.40 0.00 0.09 0.00 0.00 178.44 178.41 1a52 n ALA 307 N -2.57 -0.36 0.05 1.53 0.00 -1.26 0.10 120.51 117.99 1a52 n ALA 307 Ca -0.08 0.69 0.03 0.00 0.00 0.00 0.00 53.44 54.08 1a52 n ALA 307 Cb 0.26 -0.18 0.15 0.00 0.00 0.00 0.00 19.45 19.67 1a52 n ALA 307 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a52 n LEU 308 N -5.01 0.14 -0.09 0.00 4.77 -1.25 -1.77 117.00 113.78 1a52 n LEU 308 Ca 0.04 0.52 -0.21 0.00 -0.03 0.00 0.00 56.01 56.32 1a52 n LEU 308 Cb 0.23 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.67 1a52 n LEU 308 CO -0.12 -0.57 -0.47 0.28 -1.33 0.00 0.00 177.39 175.18 1a52 h SER 309 N 0.00 0.05 -0.57 -1.43 0.02 0.55 -3.48 113.55 108.70 1a52 h SER 309 Ca 0.00 -0.59 -0.43 0.00 -0.84 0.00 0.00 61.79 59.92 1a52 h SER 309 Cb 0.12 -0.02 0.04 0.00 0.14 0.00 0.00 62.40 62.68 1a52 h SER 309 CO 0.00 1.49 -0.04 0.18 -1.14 0.00 0.00 176.83 177.33 1a52 n LEU 310 N -4.35 -0.15 -4.94 5.07 4.32 -0.73 -4.93 117.00 111.29 1a52 n LEU 310 Ca -0.30 0.66 -0.30 0.00 -0.02 0.00 0.00 56.01 56.05 1a52 n LEU 310 Cb 0.71 -0.53 0.19 0.00 -1.62 0.00 0.00 43.42 42.17 1a52 n LEU 310 CO 0.23 -1.21 0.87 0.42 -1.22 0.00 0.00 177.39 176.48 1a52 s THR 311 N -0.12 2.00 0.11 -5.08 -4.23 -1.26 -4.79 115.64 102.27 1a52 s THR 311 Ca 0.48 -0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 1a52 s THR 311 Cb -0.68 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 1a52 s THR 311 CO 0.32 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 176.13 1a52 h ALA 312 N -1.65 0.04 0.00 3.99 0.00 -1.93 -1.11 119.26 118.60 1a52 h ALA 312 Ca -0.44 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1a52 h ALA 312 Cb 1.23 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1a52 h ALA 312 CO 0.35 -0.50 -0.08 -0.44 0.00 0.00 0.00 179.25 178.58 1a52 h ASP 313 N -0.01 0.00 0.75 0.00 5.19 -1.97 -0.97 116.42 119.42 1a52 h ASP 313 Ca 0.04 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.21 1a52 h ASP 313 Cb 0.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1a52 h ASP 313 CO -0.08 0.08 -1.07 1.56 -3.12 0.00 0.00 179.24 176.61 1a52 h GLN 314 N 0.00 0.16 -0.25 3.56 4.20 -1.81 -2.75 115.11 118.23 1a52 h GLN 314 Ca -0.00 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1a52 h GLN 314 Cb 0.15 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1a52 h GLN 314 CO 0.01 1.08 -0.22 1.98 -0.67 0.00 0.00 178.83 181.01 1a52 h MET 315 N 0.06 0.45 -0.09 1.46 4.05 0.07 -1.68 114.93 119.25 1a52 h MET 315 Ca -0.07 -0.16 -0.14 0.00 -0.28 0.00 0.00 59.70 59.05 1a52 h MET 315 Cb 1.79 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.56 1a52 h MET 315 CO 0.16 0.65 -0.49 0.28 0.23 0.00 0.00 176.91 177.74 1a52 h VAL 316 N 0.41 1.38 -0.47 -5.77 2.07 -1.32 -2.57 116.25 109.98 1a52 h VAL 316 Ca 0.06 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 65.72 1a52 h VAL 316 Cb 0.61 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1a52 h VAL 316 CO 0.04 0.55 0.20 0.28 0.02 0.00 0.00 177.57 178.66 1a52 h SER 317 N 0.07 0.64 0.15 0.57 0.02 -1.41 0.34 113.55 113.94 1a52 h SER 317 Ca -0.04 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1a52 h SER 317 Cb 1.14 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1a52 h SER 317 CO 0.10 0.62 -0.49 0.00 -1.14 0.00 0.00 176.83 175.92 1a52 h ALA 318 N 1.04 -0.99 -0.06 3.77 0.00 -1.36 0.82 119.26 122.49 1a52 h ALA 318 Ca 0.16 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1a52 h ALA 318 Cb 0.17 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1a52 h ALA 318 CO -0.02 -1.10 -0.16 -0.07 0.00 0.00 0.00 179.25 177.91 1a52 h LEU 319 N -0.73 -0.48 -0.99 0.00 3.38 -1.23 -1.26 115.31 114.00 1a52 h LEU 319 Ca -0.01 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1a52 h LEU 319 Cb 0.72 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 1a52 h LEU 319 CO -0.24 -0.21 0.61 -0.07 0.09 0.00 0.00 178.44 178.61 1a52 h LEU 320 N -0.23 0.87 -1.00 1.67 3.38 0.14 -0.89 115.31 119.23 1a52 h LEU 320 Ca 0.07 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1a52 h LEU 320 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1a52 h LEU 320 CO -0.19 0.43 -0.37 0.44 0.09 0.00 0.00 178.44 178.83 1a52 h ASP 321 N 0.92 0.00 0.88 -0.43 5.19 -0.22 -2.86 116.42 119.90 1a52 h ASP 321 Ca 0.51 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1a52 h ASP 321 Cb 0.58 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1a52 h ASP 321 CO -0.30 0.37 -0.02 0.00 -3.12 0.00 0.00 179.24 176.18 1a52 h ALA 322 N 1.63 1.01 -1.48 3.45 0.00 -0.00 -3.46 119.26 120.41 1a52 h ALA 322 Ca -0.00 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 54.15 1a52 h ALA 322 Cb 0.86 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.68 1a52 h ALA 322 CO 0.05 0.02 0.65 0.39 0.00 0.00 0.00 179.25 180.36 1a52 n GLU 323 N -3.13 0.91 -1.38 0.00 -0.58 -1.08 -4.56 120.64 110.82 1a52 n GLU 323 Ca 0.00 0.33 -0.32 0.00 -0.42 0.00 0.00 57.16 56.75 1a52 n GLU 323 Cb 0.28 -1.96 0.08 0.00 -0.57 0.00 0.00 31.44 29.27 1a52 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1a52 s PRO 324 N 2.10 2.32 0.61 3.49 0.04 -1.26 -5.00 135.00 137.29 1a52 s PRO 324 Ca 0.94 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 1a52 s PRO 324 Cb -1.10 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 1a52 s PRO 324 CO 0.60 -1.61 1.18 -2.14 0.04 0.00 0.00 177.00 175.07 1a52 s PRO 325 N -4.56 2.91 -0.10 0.56 0.02 -1.26 -4.97 135.00 127.59 1a52 s PRO 325 Ca 0.64 1.72 -0.23 0.00 0.02 0.00 0.00 61.00 63.16 1a52 s PRO 325 Cb -0.19 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1a52 s PRO 325 CO 0.51 -1.23 0.68 0.42 -0.33 0.00 0.00 177.00 177.05 1a52 s ILE 326 N -1.78 5.04 0.24 2.83 1.01 -1.26 -5.04 121.20 122.24 1a52 s ILE 326 Ca 0.75 1.37 0.03 0.00 0.00 0.00 0.00 60.65 62.80 1a52 s ILE 326 Cb -0.28 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1a52 s ILE 326 CO 0.35 0.21 0.38 -0.76 0.00 0.00 0.00 174.94 175.12 1a52 s LEU 327 N 1.12 4.26 -0.01 2.97 1.43 -1.26 -5.04 118.68 122.15 1a52 s LEU 327 Ca 0.35 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1a52 s LEU 327 Cb -0.17 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1a52 s LEU 327 CO 0.15 -0.08 0.09 -0.31 0.23 0.00 0.00 176.35 176.44 1a52 s TYR 328 N -1.98 3.33 -0.06 0.29 1.51 -1.26 -4.32 117.35 114.86 1a52 s TYR 328 Ca 0.36 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 56.35 1a52 s TYR 328 Cb -0.10 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1a52 s TYR 328 CO 0.30 0.57 1.26 0.45 -1.11 0.00 0.00 175.55 177.02 1a52 s SER 329 N -1.72 6.98 -1.35 2.29 0.15 -1.26 -4.88 113.70 113.91 1a52 s SER 329 Ca 0.23 1.87 -0.11 0.00 0.70 0.00 0.00 55.95 58.64 1a52 s SER 329 Cb -0.12 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 61.75 1a52 s SER 329 CO 0.14 -0.65 2.02 -0.62 1.20 0.00 0.00 173.24 175.33 1a52 n GLU 330 N 5.48 3.31 -4.03 5.44 -0.58 -1.26 -4.91 120.64 124.09 1a52 n GLU 330 Ca 0.12 -3.15 -0.24 0.00 -0.42 0.00 0.00 57.16 53.47 1a52 n GLU 330 Cb 0.45 -3.08 -0.05 0.00 -0.57 0.00 0.00 31.44 28.19 1a52 n GLU 330 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1a52 n TYR 331 N 4.80 0.75 -3.93 -0.32 4.11 -1.26 -5.15 117.16 116.16 1a52 n TYR 331 Ca 0.45 -1.95 -0.35 0.00 -0.00 0.00 0.00 57.90 56.05 1a52 n TYR 331 Cb 0.37 -0.21 -0.14 0.00 -0.00 0.00 0.00 39.34 39.36 1a52 n TYR 331 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1a52 s ASP 332 N -3.11 4.25 0.46 9.48 1.01 -1.26 -4.99 116.67 122.50 1a52 s ASP 332 Ca 0.03 -0.61 0.31 0.00 0.71 0.00 0.00 52.55 52.99 1a52 s ASP 332 Cb 0.00 -1.70 1.34 0.00 1.01 0.00 0.00 42.92 43.58 1a52 s ASP 332 CO 0.02 -0.07 1.92 -0.65 0.21 0.00 0.00 175.17 176.60 1a52 h PRO 333 N 8.07 0.00 0.29 8.23 0.11 -1.98 -3.21 132.00 143.51 1a52 h PRO 333 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1a52 h PRO 333 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1a52 h PRO 333 CO 0.60 0.00 -0.14 1.15 -0.21 0.00 0.00 178.00 179.40 1a52 h THR 334 N 0.00 0.00 -2.95 -1.15 2.02 -2.05 -3.44 112.91 105.34 1a52 h THR 334 Ca 0.00 -0.03 -0.55 0.00 0.77 0.00 0.00 66.41 66.60 1a52 h THR 334 Cb 0.39 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 66.87 1a52 h THR 334 CO 0.00 0.00 0.84 0.54 0.37 0.00 0.00 175.52 177.27 1a52 n ARG 335 N -3.15 2.53 0.00 6.66 1.74 -1.21 -5.05 116.66 118.18 1a52 n ARG 335 Ca -0.05 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1a52 n ARG 335 Cb 0.15 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 28.92 1a52 n ARG 335 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a52 n PRO 336 N 2.58 2.75 -3.62 5.56 -0.04 -1.26 -4.93 135.00 136.05 1a52 n PRO 336 Ca 0.11 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1a52 n PRO 336 Cb 0.35 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.65 1a52 n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a52 s PHE 337 N 0.00 -0.15 0.10 0.54 0.08 -1.26 -4.97 117.98 112.32 1a52 s PHE 337 Ca 0.00 0.38 0.10 0.00 0.12 0.00 0.00 56.93 57.53 1a52 s PHE 337 Cb 0.00 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 1a52 s PHE 337 CO 0.00 -0.38 -0.27 -1.12 -0.10 0.00 0.00 175.22 173.35 1a52 s SER 338 N 2.28 3.26 0.13 1.36 0.01 -1.26 -4.93 113.70 114.55 1a52 s SER 338 Ca 0.04 -0.68 -0.11 0.00 1.31 0.00 0.00 55.95 56.51 1a52 s SER 338 Cb -0.13 -0.25 0.12 0.00 0.21 0.00 0.00 66.02 65.97 1a52 s SER 338 CO -0.08 0.21 0.88 1.21 0.41 0.00 0.00 173.24 175.88 1a52 n GLU 339 N 1.26 -0.14 0.09 12.44 0.00 -1.01 0.27 120.64 133.55 1a52 n GLU 339 Ca -0.18 0.88 -0.06 0.00 0.00 0.00 0.00 57.16 57.80 1a52 n GLU 339 Cb 0.53 -1.30 0.05 0.00 0.00 0.00 0.00 31.44 30.71 1a52 n GLU 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a52 h ALA 340 N 0.75 0.67 0.16 4.31 0.00 -1.96 -2.86 119.26 120.33 1a52 h ALA 340 Ca 0.19 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1a52 h ALA 340 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1a52 h ALA 340 CO -0.56 0.86 -0.08 1.03 0.00 0.00 0.00 179.25 180.50 1a52 h SER 341 N 0.11 -0.18 0.87 0.00 0.87 0.35 -3.00 113.55 112.57 1a52 h SER 341 Ca -0.03 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1a52 h SER 341 Cb 1.35 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1a52 h SER 341 CO 0.11 -0.06 -0.42 -0.03 -0.53 0.00 0.00 176.83 175.90 1a52 h MET 342 N -0.28 -1.12 -0.91 2.24 -1.53 -0.32 -2.72 114.93 110.29 1a52 h MET 342 Ca -0.02 0.08 0.23 0.00 -3.44 0.00 0.00 59.70 56.54 1a52 h MET 342 Cb 0.22 0.26 -0.17 0.00 -0.55 0.00 0.00 31.60 31.36 1a52 h MET 342 CO 0.04 -0.74 -0.05 -1.33 0.14 0.00 0.00 176.91 174.96 1a52 n MET 343 N -5.56 -0.08 0.20 0.39 2.81 -1.08 0.16 117.12 113.96 1a52 n MET 343 Ca -0.15 1.38 0.07 0.00 -1.81 0.00 0.00 57.70 57.19 1a52 n MET 343 Cb 0.46 -2.15 0.39 0.00 -0.71 0.00 0.00 33.22 31.22 1a52 n MET 343 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1a52 h GLY 344 N 0.00 0.00 0.78 3.03 0.00 -1.46 0.13 103.07 105.55 1a52 h GLY 344 Ca 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.77 1a52 h GLY 344 CO -0.88 0.00 -0.20 -2.00 0.00 0.00 0.00 176.54 173.46 1a52 h LEU 345 N 0.00 0.45 -0.35 3.11 5.85 0.18 -1.31 115.31 123.24 1a52 h LEU 345 Ca -0.00 -0.51 -0.19 0.00 0.84 0.00 0.00 57.88 58.02 1a52 h LEU 345 Cb 0.81 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1a52 h LEU 345 CO 0.04 0.87 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.24 1a52 h LEU 346 N 0.05 0.67 -0.44 2.25 3.38 -0.95 -3.16 115.31 117.10 1a52 h LEU 346 Ca 0.02 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1a52 h LEU 346 Cb 0.76 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1a52 h LEU 346 CO 0.05 1.17 0.10 0.74 0.09 0.00 0.00 178.44 180.59 1a52 h THR 347 N 0.40 1.24 -0.19 0.22 2.02 -0.71 -1.12 112.91 114.77 1a52 h THR 347 Ca -0.03 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1a52 h THR 347 Cb 1.29 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1a52 h THR 347 CO 0.13 0.30 0.03 0.78 0.37 0.00 0.00 175.52 177.13 1a52 h ASN 348 N 0.59 0.30 -0.62 4.18 2.35 -1.32 -0.22 115.58 120.83 1a52 h ASN 348 Ca 0.14 -0.25 0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1a52 h ASN 348 Cb 0.34 -0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.53 1a52 h ASN 348 CO 0.00 0.48 0.07 0.25 -1.65 0.00 0.00 177.43 176.58 1a52 h LEU 349 N 0.11 -0.13 -0.18 1.61 5.85 -1.50 0.77 115.31 121.84 1a52 h LEU 349 Ca 0.06 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1a52 h LEU 349 Cb 0.30 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1a52 h LEU 349 CO 0.00 -0.06 0.09 0.00 -0.34 0.00 0.00 178.44 178.13 1a52 h ALA 350 N 1.54 0.24 -0.00 1.25 0.00 -0.87 0.10 119.26 121.52 1a52 h ALA 350 Ca 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1a52 h ALA 350 Cb 0.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a52 h ALA 350 CO -0.48 -0.20 -0.09 -0.44 0.00 0.00 0.00 179.25 178.04 1a52 h ASP 351 N 0.17 0.01 0.12 0.00 3.32 0.22 0.13 116.42 120.39 1a52 h ASP 351 Ca 0.06 -0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.82 1a52 h ASP 351 Cb 0.12 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.69 1a52 h ASP 351 CO -0.01 0.10 -1.23 -0.09 -1.72 0.00 0.00 179.24 176.29 1a52 h ARG 352 N 0.01 0.62 0.00 3.56 2.43 -0.56 -2.94 114.38 117.50 1a52 h ARG 352 Ca 0.00 -0.83 -0.03 0.00 -0.81 0.00 0.00 59.98 58.31 1a52 h ARG 352 Cb 0.16 0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1a52 h ARG 352 CO 0.01 1.38 -0.17 0.93 -1.51 0.00 0.00 179.97 180.61 1a52 h GLU 353 N 0.25 0.00 -0.04 0.20 5.08 -0.05 -2.51 114.58 117.51 1a52 h GLU 353 Ca -0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1a52 h GLU 353 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1a52 h GLU 353 CO 0.24 0.17 0.00 1.25 -1.00 0.00 0.00 179.01 179.67 1a52 h LEU 354 N 0.00 0.06 -0.95 1.33 5.85 -0.71 0.11 115.31 121.00 1a52 h LEU 354 Ca -0.00 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.52 1a52 h LEU 354 Cb 0.45 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1a52 h LEU 354 CO 0.02 0.32 0.60 0.58 -0.34 0.00 0.00 178.44 179.62 1a52 h VAL 355 N -0.20 1.02 0.00 1.05 2.07 -1.27 -1.05 116.25 117.87 1a52 h VAL 355 Ca 0.01 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1a52 h VAL 355 Cb 0.29 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1a52 h VAL 355 CO 0.00 0.19 -0.58 0.45 0.02 0.00 0.00 177.57 177.65 1a52 h HIS 356 N 1.05 0.00 -0.37 1.57 3.86 -1.28 -2.93 115.15 117.05 1a52 h HIS 356 Ca 0.43 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.62 1a52 h HIS 356 Cb 0.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1a52 h HIS 356 CO -0.02 0.58 0.14 1.98 0.86 0.00 0.00 177.93 181.48 1a52 h MET 357 N 0.00 0.52 -0.72 2.45 -1.53 0.53 -2.03 114.93 114.15 1a52 h MET 357 Ca -0.01 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.15 1a52 h MET 357 Cb 1.07 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.99 1a52 h MET 357 CO 0.08 0.43 0.30 0.82 0.14 0.00 0.00 176.91 178.68 1a52 h ILE 358 N 0.52 1.25 -0.47 1.77 1.08 -1.24 0.15 117.51 120.56 1a52 h ILE 358 Ca 0.13 -0.76 -0.08 0.00 -0.39 0.00 0.00 64.86 63.76 1a52 h ILE 358 Cb 0.11 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 1a52 h ILE 358 CO -0.01 0.31 -0.02 0.78 -0.69 0.00 0.00 178.15 178.52 1a52 h ASN 359 N 1.03 0.77 0.25 1.72 -0.26 -1.45 -2.91 115.58 114.72 1a52 h ASN 359 Ca 0.24 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1a52 h ASN 359 Cb 0.20 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1a52 h ASN 359 CO -0.02 0.84 -0.12 -0.25 -1.06 0.00 0.00 177.43 176.82 1a52 h TRP 360 N 0.74 -0.31 -0.97 1.19 7.01 -0.93 -3.14 115.95 119.53 1a52 h TRP 360 Ca 0.14 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.32 1a52 h TRP 360 Cb 0.47 0.10 -0.11 0.00 -2.10 0.00 0.00 29.16 27.53 1a52 h TRP 360 CO 0.02 0.04 0.57 0.00 -2.79 0.00 0.00 178.44 176.28 1a52 h ALA 361 N -0.13 1.60 0.00 2.65 0.00 -0.73 0.12 119.26 122.76 1a52 h ALA 361 Ca -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1a52 h ALA 361 Cb 0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a52 h ALA 361 CO 0.06 -0.10 -0.03 0.87 0.00 0.00 0.00 179.25 180.05 1a52 h LYS 362 N 0.70 0.00 -0.02 0.00 1.57 -1.48 -2.23 116.57 115.11 1a52 h LYS 362 Ca 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 1a52 h LYS 362 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1a52 h LYS 362 CO -0.40 0.03 -0.01 0.54 -0.57 0.00 0.00 179.45 179.04 1a52 n ARG 363 N -3.25 1.95 -2.79 3.15 1.74 0.39 -4.58 116.66 113.28 1a52 n ARG 363 Ca -0.01 -1.41 -0.42 0.00 -0.77 0.00 0.00 57.85 55.24 1a52 n ARG 363 Cb 0.20 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1a52 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a52 s VAL 364 N -2.02 4.88 -0.38 1.55 1.01 -0.84 -4.81 120.40 119.79 1a52 s VAL 364 Ca 0.33 1.87 -0.43 0.00 0.00 0.00 0.00 61.98 63.75 1a52 s VAL 364 Cb 0.20 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 32.18 1a52 s VAL 364 CO 0.33 0.11 1.75 -2.65 0.00 0.00 0.00 175.10 174.63 1a52 n PRO 365 N 4.45 0.67 -0.07 2.72 -0.02 -1.26 -1.16 135.00 140.33 1a52 n PRO 365 Ca 0.05 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1a52 n PRO 365 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1a52 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a52 n GLY 366 N 4.49 2.24 0.21 -1.23 0.00 -1.26 -4.91 105.19 104.74 1a52 n GLY 366 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 1a52 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a52 h PHE 367 N 0.00 0.76 0.00 1.61 3.57 -1.42 -2.77 116.94 118.70 1a52 h PHE 367 Ca 0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1a52 h PHE 367 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1a52 h PHE 367 CO 0.00 0.80 0.00 0.28 -2.23 0.00 0.00 178.31 177.16 1a52 n VAL 368 N -4.44 0.47 0.28 1.41 0.31 -1.26 -2.08 118.33 113.02 1a52 n VAL 368 Ca -0.01 -0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.49 1a52 n VAL 368 Cb 0.30 -0.71 0.79 0.00 -0.91 0.00 0.00 33.84 33.31 1a52 n VAL 368 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1a52 h ASP 369 N 0.00 0.00 -4.53 4.52 3.32 -1.86 -3.44 116.42 114.43 1a52 h ASP 369 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1a52 h ASP 369 Cb 0.50 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.15 1a52 h ASP 369 CO 0.00 0.05 0.39 -0.76 -1.72 0.00 0.00 179.24 177.20 1a52 s LEU 370 N -6.44 2.49 0.32 1.55 1.43 -0.88 -5.05 118.68 112.10 1a52 s LEU 370 Ca -0.01 0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 53.70 1a52 s LEU 370 Cb 0.11 -3.40 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 1a52 s LEU 370 CO 0.53 -1.92 1.02 -0.89 0.23 0.00 0.00 176.35 175.33 1a52 s THR 371 N -3.49 3.81 0.16 5.49 2.01 -1.26 -4.88 115.64 117.48 1a52 s THR 371 Ca 0.62 1.61 -0.23 0.00 0.31 0.00 0.00 61.69 64.00 1a52 s THR 371 Cb -0.12 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.51 1a52 s THR 371 CO 0.50 0.23 1.60 0.25 -0.69 0.00 0.00 174.62 176.51 1a52 h LEU 372 N 3.33 -1.07 -1.65 4.42 5.85 -1.96 0.28 115.31 124.50 1a52 h LEU 372 Ca -0.47 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1a52 h LEU 372 Cb 1.21 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 1a52 h LEU 372 CO 0.65 -0.32 0.27 0.45 -0.34 0.00 0.00 178.44 179.16 1a52 h HIS 373 N -0.25 0.44 -0.01 1.25 3.86 -1.99 0.85 115.15 119.30 1a52 h HIS 373 Ca 0.17 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 1a52 h HIS 373 Cb 0.54 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1a52 h HIS 373 CO -0.53 0.27 -0.55 -0.44 0.86 0.00 0.00 177.93 177.53 1a52 h ASP 374 N 0.47 0.03 -0.17 2.45 5.19 -1.29 -0.63 116.42 122.47 1a52 h ASP 374 Ca 0.16 -0.02 -0.20 0.00 -0.62 0.00 0.00 57.03 56.36 1a52 h ASP 374 Cb 0.07 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.58 1a52 h ASP 374 CO -0.04 0.58 -0.67 1.56 -3.12 0.00 0.00 179.24 177.55 1a52 h GLN 375 N 0.02 0.75 -0.17 3.56 4.20 0.15 -1.41 115.11 122.22 1a52 h GLN 375 Ca -0.00 -0.58 -0.10 0.00 0.06 0.00 0.00 58.65 58.02 1a52 h GLN 375 Cb 0.98 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1a52 h GLN 375 CO 0.07 1.20 -0.33 0.28 -0.67 0.00 0.00 178.83 179.38 1a52 h VAL 376 N 0.47 1.28 -0.47 -0.54 2.07 -0.81 -2.12 116.25 116.14 1a52 h VAL 376 Ca -0.04 -1.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 1a52 h VAL 376 Cb 1.30 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1a52 h VAL 376 CO 0.14 0.42 -0.20 -0.74 0.02 0.00 0.00 177.57 177.21 1a52 h HIS 377 N 0.29 1.07 -0.14 1.57 -0.00 -0.96 -1.76 115.15 115.22 1a52 h HIS 377 Ca 0.04 -0.25 -0.03 0.00 -0.00 0.00 0.00 60.37 60.13 1a52 h HIS 377 Cb 0.73 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1a52 h HIS 377 CO 0.02 1.05 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.89 1a52 h LEU 378 N 0.81 0.27 -1.51 0.26 3.38 -0.95 -2.52 115.31 115.05 1a52 h LEU 378 Ca 0.11 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1a52 h LEU 378 Cb 0.76 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1a52 h LEU 378 CO 0.06 0.57 -0.18 -0.07 0.09 0.00 0.00 178.44 178.92 1a52 h LEU 379 N -0.04 0.00 0.00 1.67 3.38 -1.41 -2.23 115.31 116.67 1a52 h LEU 379 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1a52 h LEU 379 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a52 h LEU 379 CO 0.01 0.18 -0.46 -0.08 0.09 0.00 0.00 178.44 178.18 1a52 h GLU 380 N 0.00 0.00 0.00 1.13 4.81 -1.20 0.67 114.58 120.00 1a52 h GLU 380 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a52 h GLU 380 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1a52 h GLU 380 CO 0.02 0.26 -1.02 0.00 -0.73 0.00 0.00 179.01 177.54 1a52 n ALA 382 N -1.94 1.66 -0.30 0.00 0.00 -0.86 -4.82 120.51 114.25 1a52 n ALA 382 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1a52 n ALA 382 Cb 0.47 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.10 1a52 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1a52 h TRP 383 N 0.00 -0.18 0.00 0.00 5.08 -1.09 0.17 115.95 119.93 1a52 h TRP 383 Ca 0.00 0.07 -0.08 0.00 1.08 0.00 0.00 58.89 59.96 1a52 h TRP 383 Cb 0.00 0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.36 1a52 h TRP 383 CO 0.00 -0.33 -0.39 1.25 -1.28 0.00 0.00 178.44 177.69 1a52 h LEU 384 N 0.05 0.00 -0.23 0.11 5.85 -1.87 -0.96 115.31 118.25 1a52 h LEU 384 Ca 0.46 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.13 1a52 h LEU 384 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1a52 h LEU 384 CO -0.81 0.39 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.27 1a52 h GLU 385 N 0.00 0.46 -0.27 1.25 5.08 -1.08 -0.84 114.58 119.19 1a52 h GLU 385 Ca -0.00 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1a52 h GLU 385 Cb 0.78 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1a52 h GLU 385 CO 0.05 0.72 0.07 0.82 -1.00 0.00 0.00 179.01 179.67 1a52 h ILE 386 N 0.18 0.90 -0.76 3.13 2.04 -0.61 0.61 117.51 123.00 1a52 h ILE 386 Ca 0.05 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1a52 h ILE 386 Cb 0.57 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1a52 h ILE 386 CO 0.03 0.03 0.31 -0.07 0.00 0.00 0.00 178.15 178.46 1a52 h LEU 387 N 0.18 1.04 -0.84 1.44 3.38 -1.11 -2.41 115.31 116.99 1a52 h LEU 387 Ca 0.12 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a52 h LEU 387 Cb 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1a52 h LEU 387 CO -0.14 0.92 0.55 0.24 0.09 0.00 0.00 178.44 180.09 1a52 h MET 388 N 1.09 1.05 -0.39 1.13 2.86 -0.23 0.10 114.93 120.55 1a52 h MET 388 Ca 0.25 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.71 1a52 h MET 388 Cb 0.20 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1a52 h MET 388 CO -0.02 0.70 -0.24 0.97 1.06 0.00 0.00 176.91 179.37 1a52 h ILE 389 N 1.09 1.27 0.05 -1.22 2.10 -0.61 -1.44 117.51 118.74 1a52 h ILE 389 Ca 0.32 -1.36 -0.00 0.00 1.08 0.00 0.00 64.86 64.89 1a52 h ILE 389 Cb -0.06 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 1a52 h ILE 389 CO -0.09 0.46 -0.02 1.23 -1.08 0.00 0.00 178.15 178.64 1a52 h GLY 390 N 0.95 -0.07 0.28 8.18 0.00 -1.03 -0.98 103.07 110.40 1a52 h GLY 390 Ca 0.09 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1a52 h GLY 390 CO 0.06 -0.02 0.34 -2.00 0.00 0.00 0.00 176.54 174.92 1a52 h LEU 391 N -0.26 0.39 -0.36 3.11 5.85 -0.87 -0.73 115.31 122.44 1a52 h LEU 391 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1a52 h LEU 391 Cb 0.23 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1a52 h LEU 391 CO 0.01 0.18 0.20 0.58 -0.34 0.00 0.00 178.44 179.07 1a52 h VAL 392 N 0.53 1.14 0.26 1.05 2.07 -1.11 -1.85 116.25 118.33 1a52 h VAL 392 Ca 0.40 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1a52 h VAL 392 Cb 0.54 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1a52 h VAL 392 CO -0.35 0.14 -0.27 -0.25 0.02 0.00 0.00 177.57 176.86 1a52 h TRP 393 N 0.45 -0.71 -0.37 1.57 2.91 -0.12 -2.33 115.95 117.35 1a52 h TRP 393 Ca 0.13 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.26 1a52 h TRP 393 Cb 0.05 0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1a52 h TRP 393 CO -0.03 -0.39 0.27 0.00 -1.03 0.00 0.00 178.44 177.26 1a52 h ARG 394 N -0.56 0.00 -0.00 2.65 3.08 -1.10 -1.90 114.38 116.55 1a52 h ARG 394 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a52 h ARG 394 Cb 0.52 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1a52 h ARG 394 CO -0.06 0.00 -0.04 0.43 -1.07 0.00 0.00 179.97 179.22 1a52 n SER 395 N -4.43 0.18 -0.17 7.04 7.64 -0.70 -4.13 113.62 119.05 1a52 n SER 395 Ca 0.06 -0.37 -0.01 0.00 1.01 0.00 0.00 58.87 59.55 1a52 n SER 395 Cb 0.45 -0.18 0.08 0.00 -1.01 0.00 0.00 64.21 63.55 1a52 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1a52 h MET 396 N 0.21 0.23 0.00 1.43 2.86 -1.25 0.61 114.93 119.03 1a52 h MET 396 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1a52 h MET 396 Cb 0.29 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1a52 h MET 396 CO 0.00 0.15 0.00 0.39 1.06 0.00 0.00 176.91 178.51 1a52 n GLU 397 N -5.12 0.51 -3.27 1.72 -0.58 -1.26 -4.06 120.64 108.58 1a52 n GLU 397 Ca 0.06 0.02 -0.25 0.00 -0.42 0.00 0.00 57.16 56.57 1a52 n GLU 397 Cb 0.27 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.57 1a52 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1a52 n HIS 398 N -1.04 1.85 -1.56 -0.32 8.25 0.21 -5.09 115.22 117.50 1a52 n HIS 398 Ca 0.12 -3.88 -0.56 0.00 -0.26 0.00 0.00 57.72 53.14 1a52 n HIS 398 Cb 0.07 -0.46 -0.07 0.00 1.12 0.00 0.00 29.99 30.65 1a52 n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1a52 n PRO 399 N 0.91 0.55 -0.53 -0.41 -0.04 -1.26 -0.31 135.00 133.91 1a52 n PRO 399 Ca 0.26 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1a52 n PRO 399 Cb 0.48 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1a52 n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a52 n GLY 400 N 2.23 1.68 3.46 0.55 0.00 -1.26 -5.00 105.19 106.85 1a52 n GLY 400 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1a52 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a52 s LYS 401 N -0.10 1.77 -0.17 1.61 1.02 0.57 -3.33 119.74 121.11 1a52 s LYS 401 Ca 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 53.96 1a52 s LYS 401 Cb 0.00 -0.62 0.04 0.00 -0.52 0.00 0.00 37.83 36.73 1a52 s LYS 401 CO 0.00 -0.37 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.47 1a52 s LEU 402 N -3.52 1.85 -1.17 3.17 1.43 -0.23 -4.82 118.68 115.38 1a52 s LEU 402 Ca 0.30 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1a52 s LEU 402 Cb 0.05 -1.05 0.14 0.00 0.03 0.00 0.00 46.19 45.36 1a52 s LEU 402 CO 0.15 -0.15 1.45 -0.22 0.23 0.00 0.00 176.35 177.80 1a52 s LEU 403 N 1.53 4.71 0.22 1.79 2.96 -1.26 -2.26 118.68 126.38 1a52 s LEU 403 Ca 0.01 -2.64 -0.09 0.00 -0.22 0.00 0.00 54.13 51.19 1a52 s LEU 403 Cb -0.15 -2.45 0.22 0.00 0.50 0.00 0.00 46.19 44.31 1a52 s LEU 403 CO -0.08 -0.93 1.86 -0.26 -1.32 0.00 0.00 176.35 175.62 1a52 h PHE 404 N 7.67 0.92 -3.41 5.38 -1.00 -1.69 -3.44 116.94 121.38 1a52 h PHE 404 Ca 0.31 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 61.07 1a52 h PHE 404 Cb 0.91 -0.30 -0.12 0.00 3.61 0.00 0.00 35.95 40.05 1a52 h PHE 404 CO 1.19 0.53 -0.05 0.00 -1.61 0.00 0.00 178.31 178.37 1a52 s ALA 405 N -6.11 -0.82 0.28 2.45 0.00 -0.93 -4.96 121.76 111.67 1a52 s ALA 405 Ca -0.13 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1a52 s ALA 405 Cb 0.16 0.79 0.67 0.00 0.00 0.00 0.00 23.12 24.74 1a52 s ALA 405 CO 0.78 -0.72 1.71 -1.35 0.00 0.00 0.00 175.76 176.18 1a52 h PRO 406 N 2.31 0.42 -0.51 0.00 0.11 -1.87 -0.27 132.00 132.19 1a52 h PRO 406 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1a52 h PRO 406 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1a52 h PRO 406 CO 0.42 0.28 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 1a52 n ASN 407 N -5.02 2.79 -3.64 -2.05 0.23 -1.26 -4.68 115.26 101.63 1a52 n ASN 407 Ca 0.20 -1.99 -0.28 0.00 -0.53 0.00 0.00 54.58 51.98 1a52 n ASN 407 Cb 0.60 -0.34 -0.16 0.00 -2.08 0.00 0.00 39.78 37.80 1a52 n ASN 407 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1a52 s LEU 408 N -1.03 1.06 -0.50 -4.53 2.96 -0.11 -4.93 118.68 111.60 1a52 s LEU 408 Ca 0.35 -1.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.11 1a52 s LEU 408 Cb 0.18 -0.51 0.14 0.00 0.50 0.00 0.00 46.19 46.51 1a52 s LEU 408 CO 0.24 -0.39 0.30 -0.22 -1.32 0.00 0.00 176.35 174.96 1a52 s LEU 409 N 1.94 3.18 0.03 -0.68 2.96 -1.26 -1.78 118.68 123.07 1a52 s LEU 409 Ca 0.06 -2.96 -0.21 0.00 -0.22 0.00 0.00 54.13 50.81 1a52 s LEU 409 Cb -0.17 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.30 1a52 s LEU 409 CO -0.24 -0.22 0.61 -0.76 -1.32 0.00 0.00 176.35 174.42 1a52 s LEU 410 N -0.11 4.45 0.64 -0.68 1.02 -0.96 -4.84 118.68 118.22 1a52 s LEU 410 Ca 0.21 1.23 0.01 0.00 0.02 0.00 0.00 54.13 55.59 1a52 s LEU 410 Cb -0.18 -2.95 0.09 0.00 0.02 0.00 0.00 46.19 43.17 1a52 s LEU 410 CO -0.05 0.14 0.89 1.51 0.02 0.00 0.00 176.35 178.87 1a52 s ASP 411 N -0.45 4.75 0.00 2.29 1.47 -1.26 -1.07 116.67 122.40 1a52 s ASP 411 Ca 0.31 -0.30 0.00 0.00 1.18 0.00 0.00 52.55 53.74 1a52 s ASP 411 Cb -0.19 -0.28 0.00 0.00 -0.34 0.00 0.00 42.92 42.12 1a52 s ASP 411 CO 0.18 -1.55 0.58 -1.14 0.68 0.00 0.00 175.17 173.92 1a52 n ARG 412 N -2.60 0.00 -0.27 2.11 0.63 -1.21 -2.53 116.66 112.80 1a52 n ARG 412 Ca 0.13 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 1a52 n ARG 412 Cb 0.60 -1.04 0.04 0.00 0.45 0.00 0.00 32.46 32.52 1a52 n ARG 412 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a52 n ASN 413 N -1.49 -0.42 0.00 6.15 3.02 -1.26 0.04 115.26 121.30 1a52 n ASN 413 Ca 0.00 1.22 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 1a52 n ASN 413 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1a52 n ASN 413 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a52 n GLN 414 N -5.05 0.00 0.03 3.52 6.02 -1.05 0.34 117.38 121.19 1a52 n GLN 414 Ca 0.08 0.13 -0.20 0.00 -0.01 0.00 0.00 57.00 56.99 1a52 n GLN 414 Cb 0.29 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.77 1a52 n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1a52 h GLY 415 N 0.00 0.31 1.41 1.08 0.00 -0.49 -3.14 103.07 102.24 1a52 h GLY 415 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1a52 h GLY 415 CO 0.00 0.69 0.12 0.28 0.00 0.00 0.00 176.54 177.62 1a52 n LYS 416 N -4.10 0.00 0.00 4.80 5.02 0.15 -0.15 118.16 123.88 1a52 n LYS 416 Ca -0.17 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1a52 n LYS 416 Cb 0.83 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1a52 n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a52 s VAL 418 N -1.17 -0.00 0.27 0.00 1.01 0.78 -2.39 120.40 118.89 1a52 s VAL 418 Ca 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 1a52 s VAL 418 Cb 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 36.38 35.34 1a52 s VAL 418 CO 0.00 0.00 1.45 1.21 0.00 0.00 0.00 175.10 177.76 1a52 n GLU 419 N 3.42 2.24 -4.13 2.72 2.13 -1.26 -3.10 120.64 122.66 1a52 n GLU 419 Ca -0.17 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 1a52 n GLU 419 Cb 0.57 -2.48 -0.08 0.00 0.27 0.00 0.00 31.44 29.71 1a52 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a52 n GLY 420 N 2.01 -0.17 0.03 8.31 0.00 -1.26 -4.81 105.19 109.29 1a52 n GLY 420 Ca 0.10 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1a52 n GLY 420 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a52 n MET 421 N -4.03 2.01 0.02 1.61 1.56 -1.18 -4.63 117.12 112.48 1a52 n MET 421 Ca -0.18 -1.38 -0.19 0.00 -0.27 0.00 0.00 57.70 55.68 1a52 n MET 421 Cb 0.56 -0.92 -0.10 0.00 2.15 0.00 0.00 33.22 34.91 1a52 n MET 421 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1a52 h VAL 422 N 0.96 1.32 -0.25 1.12 2.07 -1.81 -2.98 116.25 116.68 1a52 h VAL 422 Ca 0.00 -2.13 0.06 0.00 0.82 0.00 0.00 66.70 65.45 1a52 h VAL 422 Cb 0.70 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 1a52 h VAL 422 CO 0.00 0.65 -0.11 -0.33 0.02 0.00 0.00 177.57 177.79 1a52 h GLU 423 N 0.27 -0.08 0.00 1.57 3.07 -1.98 0.28 114.58 117.71 1a52 h GLU 423 Ca -0.10 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 1a52 h GLU 423 Cb 1.51 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.43 1a52 h GLU 423 CO 0.17 -0.05 -0.29 0.82 -1.40 0.00 0.00 179.01 178.26 1a52 h ILE 424 N -0.08 1.01 0.12 3.13 2.04 -1.85 -2.56 117.51 119.32 1a52 h ILE 424 Ca 0.13 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1a52 h ILE 424 Cb 0.28 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1a52 h ILE 424 CO -0.30 0.29 -0.06 -0.26 0.00 0.00 0.00 178.15 177.81 1a52 h PHE 425 N 0.00 -0.16 -0.62 1.37 -1.00 -1.04 -1.51 116.94 113.99 1a52 h PHE 425 Ca -0.00 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.89 1a52 h PHE 425 Cb 0.59 0.05 -0.09 0.00 3.61 0.00 0.00 35.95 40.12 1a52 h PHE 425 CO 0.00 0.25 0.16 -0.44 -1.61 0.00 0.00 178.31 176.66 1a52 h ASP 426 N -0.61 0.05 -0.72 2.17 3.32 -0.85 1.14 116.42 120.93 1a52 h ASP 426 Ca -0.02 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1a52 h ASP 426 Cb 0.47 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1a52 h ASP 426 CO 0.03 0.03 0.40 0.24 -1.72 0.00 0.00 179.24 178.22 1a52 h MET 427 N 0.29 0.99 -0.28 3.56 2.86 -1.42 0.71 114.93 121.64 1a52 h MET 427 Ca 0.33 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1a52 h MET 427 Cb 0.49 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1a52 h MET 427 CO -0.40 0.73 0.02 -0.07 1.06 0.00 0.00 176.91 178.25 1a52 h LEU 428 N 0.98 0.47 -0.38 1.22 3.38 0.11 -0.40 115.31 120.69 1a52 h LEU 428 Ca 0.25 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1a52 h LEU 428 Cb 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1a52 h LEU 428 CO -0.04 0.64 0.21 -0.07 0.09 0.00 0.00 178.44 179.26 1a52 h LEU 429 N 0.29 0.32 -0.89 1.67 3.38 0.22 0.24 115.31 120.54 1a52 h LEU 429 Ca 0.08 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1a52 h LEU 429 Cb 0.38 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1a52 h LEU 429 CO 0.01 0.23 0.57 0.00 0.09 0.00 0.00 178.44 179.35 1a52 h ALA 430 N 1.19 1.18 0.09 1.53 0.00 0.60 0.10 119.26 123.95 1a52 h ALA 430 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a52 h ALA 430 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1a52 h ALA 430 CO -0.09 0.42 -0.04 1.15 0.00 0.00 0.00 179.25 180.68 1a52 h THR 431 N 1.11 1.01 -0.71 0.00 2.02 -0.24 -0.20 112.91 115.90 1a52 h THR 431 Ca 0.36 -0.36 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1a52 h THR 431 Cb 0.03 1.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 1a52 h THR 431 CO -0.13 0.09 0.33 -1.28 0.37 0.00 0.00 175.52 174.90 1a52 h SER 432 N -0.28 0.40 -0.83 4.18 0.87 -0.52 -0.82 113.55 116.55 1a52 h SER 432 Ca -0.01 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1a52 h SER 432 Cb 0.24 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 1a52 h SER 432 CO 0.02 0.21 0.54 -1.28 -0.53 0.00 0.00 176.83 175.79 1a52 h SER 433 N 0.55 0.90 -0.20 6.23 0.87 -0.54 -0.83 113.55 120.53 1a52 h SER 433 Ca 0.36 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1a52 h SER 433 Cb 0.44 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1a52 h SER 433 CO -0.31 0.63 0.06 -0.09 -0.53 0.00 0.00 176.83 176.59 1a52 h ARG 434 N 1.06 0.32 -0.80 2.24 9.65 0.14 -2.15 114.38 124.84 1a52 h ARG 434 Ca 0.32 -0.07 0.09 0.00 -1.10 0.00 0.00 59.98 59.22 1a52 h ARG 434 Cb -0.03 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 1a52 h ARG 434 CO -0.10 0.43 0.52 0.74 2.80 0.00 0.00 179.97 184.36 1a52 h PHE 435 N 0.14 0.80 0.18 2.20 0.04 -0.73 -2.00 116.94 117.58 1a52 h PHE 435 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1a52 h PHE 435 Cb 0.25 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1a52 h PHE 435 CO 0.01 0.38 -0.09 -0.09 -0.60 0.00 0.00 178.31 177.92 1a52 h ARG 436 N 0.76 -0.24 0.00 1.51 2.43 -0.67 -1.16 114.38 117.01 1a52 h ARG 436 Ca 0.36 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1a52 h ARG 436 Cb 0.41 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1a52 h ARG 436 CO -0.14 -0.01 -0.08 0.52 -1.51 0.00 0.00 179.97 178.75 1a52 h MET 437 N -0.43 0.00 -0.01 0.20 2.86 -1.07 -0.68 114.93 115.80 1a52 h MET 437 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1a52 h MET 437 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1a52 h MET 437 CO 0.04 0.08 -0.13 -1.33 1.06 0.00 0.00 176.91 176.63 1a52 n MET 438 N -3.33 1.09 -3.64 1.72 2.81 -0.78 -4.95 117.12 110.04 1a52 n MET 438 Ca -0.01 -0.57 -0.27 0.00 -1.81 0.00 0.00 57.70 55.04 1a52 n MET 438 Cb 0.26 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.32 1a52 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1a52 n ASN 439 N -0.46 -4.56 -4.76 7.83 4.05 -0.26 -4.86 115.26 112.24 1a52 n ASN 439 Ca 0.15 -0.94 -0.41 0.00 0.45 0.00 0.00 54.58 53.83 1a52 n ASN 439 Cb 0.32 -3.74 -0.01 0.00 1.23 0.00 0.00 39.78 37.58 1a52 n ASN 439 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1a52 s LEU 440 N -6.37 4.34 0.17 1.20 2.96 -0.49 -4.99 118.68 115.50 1a52 s LEU 440 Ca 0.37 2.98 -0.00 0.00 -0.22 0.00 0.00 54.13 57.26 1a52 s LEU 440 Cb -0.12 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1a52 s LEU 440 CO 0.84 -0.91 0.35 -1.10 -1.32 0.00 0.00 176.35 174.20 1a52 s GLN 441 N -0.82 3.50 0.35 1.98 -1.52 -1.26 -4.96 119.66 116.94 1a52 s GLN 441 Ca 0.61 -0.38 0.02 0.00 -1.95 0.00 0.00 55.36 53.66 1a52 s GLN 441 Cb -0.48 -2.89 0.63 0.00 -0.22 0.00 0.00 33.01 30.05 1a52 s GLN 441 CO 0.51 0.46 2.00 0.78 -0.25 0.00 0.00 175.29 178.79 1a52 h GLY 442 N 2.23 0.92 1.12 3.09 0.00 -1.98 0.35 103.07 108.80 1a52 h GLY 442 Ca -0.48 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.44 1a52 h GLY 442 CO 0.69 0.32 0.14 0.83 0.00 0.00 0.00 176.54 178.53 1a52 h GLU 443 N 0.87 1.08 -0.12 4.80 3.07 -1.98 -1.94 114.58 120.36 1a52 h GLU 443 Ca 0.25 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1a52 h GLU 443 Cb -0.07 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 1a52 h GLU 443 CO -0.06 0.97 0.02 0.93 -1.40 0.00 0.00 179.01 179.48 1a52 h GLU 444 N 1.02 0.20 -0.27 2.33 5.08 -1.39 -3.05 114.58 118.50 1a52 h GLU 444 Ca 0.21 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1a52 h GLU 444 Cb 0.40 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1a52 h GLU 444 CO 0.01 0.38 -0.29 0.35 -1.00 0.00 0.00 179.01 178.46 1a52 h PHE 445 N -0.01 -0.78 0.00 4.33 3.57 -0.12 -1.96 116.94 121.97 1a52 h PHE 445 Ca 0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1a52 h PHE 445 Cb 0.27 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1a52 h PHE 445 CO 0.01 -0.36 -0.17 -0.39 -2.23 0.00 0.00 178.31 175.18 1a52 h VAL 446 N -0.28 0.78 -0.20 1.41 -1.51 -1.41 -1.77 116.25 113.28 1a52 h VAL 446 Ca 0.14 -0.67 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 1a52 h VAL 446 Cb 0.51 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1a52 h VAL 446 CO -0.43 0.17 -0.01 0.00 -1.23 0.00 0.00 177.57 176.06 1a52 h LEU 448 N 0.11 0.95 -0.19 0.00 3.38 -0.93 -0.20 115.31 118.42 1a52 h LEU 448 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1a52 h LEU 448 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1a52 h LEU 448 CO 0.01 0.67 0.10 0.50 0.09 0.00 0.00 178.44 179.81 1a52 h LYS 449 N 1.12 0.27 -0.04 1.13 3.64 -1.34 -1.13 116.57 120.22 1a52 h LYS 449 Ca 0.32 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1a52 h LYS 449 Cb -0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1a52 h LYS 449 CO -0.08 0.29 -0.21 0.77 -2.27 0.00 0.00 179.45 177.95 1a52 h SER 450 N 0.19 0.06 0.09 4.20 0.02 -1.19 -1.22 113.55 115.69 1a52 h SER 450 Ca 0.07 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1a52 h SER 450 Cb 0.10 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1a52 h SER 450 CO -0.01 0.27 -0.04 0.40 -1.14 0.00 0.00 176.83 176.31 1a52 h ILE 451 N 0.06 1.09 -0.70 3.27 2.04 -0.48 -1.97 117.51 120.83 1a52 h ILE 451 Ca 0.01 -0.64 0.13 0.00 1.00 0.00 0.00 64.86 65.36 1a52 h ILE 451 Cb 0.40 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 1a52 h ILE 451 CO 0.03 0.16 0.24 0.40 0.00 0.00 0.00 178.15 178.98 1a52 h ILE 452 N -0.41 0.66 0.32 -0.67 2.04 -0.57 0.60 117.51 119.48 1a52 h ILE 452 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1a52 h ILE 452 Cb 0.35 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1a52 h ILE 452 CO 0.02 0.07 -0.23 0.25 0.00 0.00 0.00 178.15 178.26 1a52 h LEU 453 N 0.38 -0.59 -0.80 1.44 5.85 -1.11 -1.92 115.31 118.56 1a52 h LEU 453 Ca 0.38 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 59.01 1a52 h LEU 453 Cb 0.56 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1a52 h LEU 453 CO -0.40 -0.36 -0.53 -0.07 -0.34 0.00 0.00 178.44 176.75 1a52 h LEU 454 N -0.55 0.21 0.00 2.25 3.38 -0.55 -3.37 115.31 116.67 1a52 h LEU 454 Ca -0.03 -0.11 -0.35 0.00 0.09 0.00 0.00 57.88 57.49 1a52 h LEU 454 Cb 0.47 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1a52 h LEU 454 CO 0.01 0.70 -2.23 -3.20 0.09 0.00 0.00 178.44 173.81 1a52 n ASN 455 N -3.93 0.23 0.21 -0.43 2.85 0.20 -4.33 115.26 110.06 1a52 n ASN 455 Ca -0.02 0.10 0.15 0.00 -0.11 0.00 0.00 54.58 54.70 1a52 n ASN 455 Cb 0.56 0.73 0.72 0.00 1.24 0.00 0.00 39.78 43.02 1a52 n ASN 455 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1a52 h SER 456 N 0.00 0.00 -0.06 1.20 0.02 -1.51 -3.01 113.55 110.19 1a52 h SER 456 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1a52 h SER 456 Cb 2.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.73 1a52 h SER 456 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 1a52 n GLY 457 N -0.80 1.58 0.19 -3.77 0.00 -1.26 -4.74 105.19 96.39 1a52 n GLY 457 Ca -0.01 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1a52 n GLY 457 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1a52 h VAL 458 N 0.52 0.63 -0.01 1.61 -1.51 -1.72 -3.25 116.25 112.52 1a52 h VAL 458 Ca 0.00 -1.56 -0.22 0.00 -1.23 0.00 0.00 66.70 63.69 1a52 h VAL 458 Cb 0.41 2.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1a52 h VAL 458 CO 0.00 0.31 -0.91 1.88 -1.23 0.00 0.00 177.57 177.62 1a52 h TYR 459 N 0.00 0.56 -0.21 5.19 0.05 -1.85 -3.19 116.97 117.52 1a52 h TYR 459 Ca -0.00 -0.30 -0.13 0.00 0.05 0.00 0.00 58.73 58.35 1a52 h TYR 459 Cb 1.04 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.65 1a52 h TYR 459 CO 0.00 1.11 0.17 0.25 -1.05 0.00 0.00 178.16 178.64 1a52 n THR 460 N -3.74 2.02 -3.95 -2.88 -2.24 -1.23 -4.83 114.28 97.43 1a52 n THR 460 Ca -0.06 -0.79 -0.36 0.00 -2.27 0.00 0.00 64.05 60.57 1a52 n THR 460 Cb 0.82 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1a52 n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1a52 s PHE 461 N -0.76 3.52 -1.08 4.78 0.40 -1.21 -5.02 117.98 118.60 1a52 s PHE 461 Ca 0.13 0.43 -0.18 0.00 -0.60 0.00 0.00 56.93 56.71 1a52 s PHE 461 Cb 0.10 -1.89 0.11 0.00 0.51 0.00 0.00 43.02 41.86 1a52 s PHE 461 CO 0.01 0.68 1.39 -1.17 0.70 0.00 0.00 175.22 176.82 1a52 s LEU 462 N -1.26 4.46 0.00 -0.37 2.96 -1.26 -4.86 118.68 118.36 1a52 s LEU 462 Ca 0.18 -2.21 -0.03 0.00 -0.22 0.00 0.00 54.13 51.85 1a52 s LEU 462 Cb -0.12 -2.47 -0.13 0.00 0.50 0.00 0.00 46.19 43.96 1a52 s LEU 462 CO 0.08 -1.11 2.35 -1.54 -1.32 0.00 0.00 176.35 174.81 1a52 n SER 463 N 7.22 3.84 0.01 3.68 3.41 -1.26 -4.25 113.62 126.26 1a52 n SER 463 Ca 0.34 -2.15 0.11 0.00 -0.26 0.00 0.00 58.87 56.90 1a52 n SER 463 Cb 0.47 -0.97 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1a52 n SER 463 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a52 n SER 464 N 2.32 0.72 -4.45 4.04 3.41 -1.26 -4.87 113.62 113.53 1a52 n SER 464 Ca 0.21 -0.56 -0.22 0.00 -0.26 0.00 0.00 58.87 58.04 1a52 n SER 464 Cb 0.57 0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 65.17 1a52 n SER 464 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1a52 s THR 465 N -3.06 1.89 0.09 6.66 -4.23 -1.26 -5.08 115.64 110.66 1a52 s THR 465 Ca 0.07 -2.19 -0.21 0.00 -1.18 0.00 0.00 61.69 58.19 1a52 s THR 465 Cb 0.16 -2.43 -0.11 0.00 1.34 0.00 0.00 72.50 71.46 1a52 s THR 465 CO 0.80 -0.32 1.69 0.25 -0.54 0.00 0.00 174.62 176.50 1a52 h LEU 466 N 2.25 0.16 -2.12 4.79 5.85 -1.97 -2.67 115.31 121.59 1a52 h LEU 466 Ca -0.40 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1a52 h LEU 466 Cb 1.24 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1a52 h LEU 466 CO 0.67 0.20 -0.05 0.50 -0.34 0.00 0.00 178.44 179.42 1a52 h LYS 467 N 0.11 0.00 0.00 1.25 3.64 -1.98 -1.77 116.57 117.83 1a52 h LYS 467 Ca 0.05 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 1a52 h LYS 467 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1a52 h LYS 467 CO -0.01 0.05 -0.94 1.03 -2.27 0.00 0.00 179.45 177.31 1a52 h SER 468 N 0.00 0.49 0.71 4.20 0.87 -1.83 -0.31 113.55 117.69 1a52 h SER 468 Ca -0.00 -0.40 -0.24 0.00 -1.23 0.00 0.00 61.79 59.93 1a52 h SER 468 Cb 0.28 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1a52 h SER 468 CO 0.01 1.20 -1.07 -0.07 -0.53 0.00 0.00 176.83 176.36 1a52 h LEU 469 N 0.21 0.27 -0.75 2.23 4.07 -1.18 -1.87 115.31 118.29 1a52 h LEU 469 Ca -0.08 -0.26 -0.11 0.00 0.08 0.00 0.00 57.88 57.51 1a52 h LEU 469 Cb 1.58 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.22 1a52 h LEU 469 CO 0.16 1.16 -0.50 -0.33 -1.08 0.00 0.00 178.44 177.85 1a52 h GLU 470 N 0.07 0.00 -0.25 1.13 5.08 -1.38 -0.39 114.58 118.84 1a52 h GLU 470 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1a52 h GLU 470 Cb 1.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1a52 h GLU 470 CO 0.16 0.50 -0.04 1.49 -1.00 0.00 0.00 179.01 180.13 1a52 h GLU 471 N 0.00 0.46 -0.21 2.33 4.57 -0.90 -2.70 114.58 118.13 1a52 h GLU 471 Ca -0.01 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 57.91 1a52 h GLU 471 Cb 1.05 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1a52 h GLU 471 CO 0.07 0.67 -0.29 0.87 -1.18 0.00 0.00 179.01 179.15 1a52 h LYS 472 N 0.22 0.42 -0.16 1.92 1.57 -1.01 -2.93 116.57 116.59 1a52 h LYS 472 Ca 0.06 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1a52 h LYS 472 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1a52 h LYS 472 CO 0.02 0.67 0.04 -0.44 -0.57 0.00 0.00 179.45 179.17 1a52 h ASP 473 N 0.37 0.24 -0.76 0.86 3.32 -0.96 -1.97 116.42 117.52 1a52 h ASP 473 Ca 0.05 -0.23 0.11 0.00 0.02 0.00 0.00 57.03 56.97 1a52 h ASP 473 Cb 0.70 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.11 1a52 h ASP 473 CO 0.05 0.42 0.38 -0.74 -1.72 0.00 0.00 179.24 177.63 1a52 h HIS 474 N 0.06 0.68 -0.84 4.55 2.76 -1.47 -0.36 115.15 120.53 1a52 h HIS 474 Ca 0.05 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1a52 h HIS 474 Cb 0.27 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1a52 h HIS 474 CO 0.01 0.22 0.45 0.82 -1.30 0.00 0.00 177.93 178.13 1a52 h ILE 475 N 0.62 1.25 0.00 6.26 2.04 -1.32 -2.40 117.51 123.96 1a52 h ILE 475 Ca 0.39 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1a52 h ILE 475 Cb 0.45 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1a52 h ILE 475 CO -0.30 0.28 -0.22 0.45 0.00 0.00 0.00 178.15 178.36 1a52 h HIS 476 N 1.17 0.00 -0.02 1.37 3.86 -0.47 -1.93 115.15 119.13 1a52 h HIS 476 Ca 0.29 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.30 1a52 h HIS 476 Cb 0.04 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.53 1a52 h HIS 476 CO 0.01 0.22 -0.78 0.00 0.86 0.00 0.00 177.93 178.24 1a52 h ARG 477 N 0.00 0.56 -0.37 2.45 3.08 -0.76 -0.73 114.38 118.61 1a52 h ARG 477 Ca -0.00 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.46 1a52 h ARG 477 Cb 0.84 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1a52 h ARG 477 CO 0.03 1.20 0.21 0.28 -1.07 0.00 0.00 179.97 180.61 1a52 h VAL 478 N 0.15 1.14 -0.51 2.04 2.07 -1.39 0.28 116.25 120.03 1a52 h VAL 478 Ca -0.09 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1a52 h VAL 478 Cb 1.46 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1a52 h VAL 478 CO 0.15 0.15 0.16 -0.07 0.02 0.00 0.00 177.57 177.98 1a52 h LEU 479 N 0.47 0.14 -0.73 2.57 3.38 -1.31 0.12 115.31 119.95 1a52 h LEU 479 Ca 0.13 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1a52 h LEU 479 Cb 0.05 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1a52 h LEU 479 CO -0.02 0.11 0.48 0.44 0.09 0.00 0.00 178.44 179.53 1a52 h ASP 480 N 0.33 0.81 -0.89 -0.43 3.32 -0.38 -1.30 116.42 117.88 1a52 h ASP 480 Ca 0.25 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.34 1a52 h ASP 480 Cb 0.28 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1a52 h ASP 480 CO -0.27 0.57 0.58 0.50 -1.72 0.00 0.00 179.24 178.91 1a52 h LYS 481 N 0.96 1.02 -0.21 3.56 1.63 0.49 0.84 116.57 124.85 1a52 h LYS 481 Ca 0.28 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.88 1a52 h LYS 481 Cb -0.06 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.34 1a52 h LYS 481 CO -0.08 0.67 -0.47 0.82 -3.45 0.00 0.00 179.45 176.94 1a52 h ILE 482 N 1.05 1.31 0.09 2.00 2.04 0.11 -1.42 117.51 122.68 1a52 h ILE 482 Ca 0.37 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1a52 h ILE 482 Cb 0.13 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1a52 h ILE 482 CO -0.13 0.52 -0.04 0.74 0.00 0.00 0.00 178.15 179.24 1a52 h THR 483 N 0.43 1.04 -0.66 -0.27 2.02 -0.38 0.81 112.91 115.90 1a52 h THR 483 Ca 0.02 -0.46 0.14 0.00 0.77 0.00 0.00 66.41 66.89 1a52 h THR 483 Cb 0.99 1.34 -0.11 0.00 -1.74 0.00 0.00 68.15 68.62 1a52 h THR 483 CO 0.09 0.11 -0.03 0.44 0.37 0.00 0.00 175.52 176.50 1a52 h ASP 484 N -0.32 -0.35 -0.44 4.18 3.32 -0.74 -0.03 116.42 122.03 1a52 h ASP 484 Ca -0.01 0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1a52 h ASP 484 Cb 0.27 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1a52 h ASP 484 CO 0.02 -0.15 0.27 0.74 -1.72 0.00 0.00 179.24 178.39 1a52 h THR 485 N 0.09 1.06 -0.30 0.35 2.02 -0.72 0.05 112.91 115.45 1a52 h THR 485 Ca 0.34 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1a52 h THR 485 Cb 0.57 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1a52 h THR 485 CO -0.59 0.10 0.18 -0.07 0.37 0.00 0.00 175.52 175.51 1a52 h LEU 486 N 0.54 0.29 -1.19 2.58 3.38 0.89 -1.58 115.31 120.21 1a52 h LEU 486 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1a52 h LEU 486 Cb -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1a52 h LEU 486 CO -0.07 0.21 0.28 0.40 0.09 0.00 0.00 178.44 179.35 1a52 h ILE 487 N 0.37 1.20 -0.09 1.22 1.08 -0.81 -1.49 117.51 118.98 1a52 h ILE 487 Ca 0.12 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1a52 h ILE 487 Cb -0.00 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 1a52 h ILE 487 CO -0.05 0.24 0.04 -0.74 -0.69 0.00 0.00 178.15 176.95 1a52 h HIS 488 N 0.84 0.13 -0.81 1.37 2.76 -0.60 0.11 115.15 118.94 1a52 h HIS 488 Ca 0.21 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.44 1a52 h HIS 488 Cb 0.10 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 1a52 h HIS 488 CO 0.01 0.19 0.53 -0.07 -1.30 0.00 0.00 177.93 177.29 1a52 h LEU 489 N 0.02 0.76 -0.08 0.26 3.38 -0.87 0.82 115.31 119.61 1a52 h LEU 489 Ca 0.03 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1a52 h LEU 489 Cb 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1a52 h LEU 489 CO -0.00 0.48 -1.02 0.24 0.09 0.00 0.00 178.44 178.23 1a52 h MET 490 N 0.86 0.48 0.31 1.13 2.86 -0.94 -1.94 114.93 117.68 1a52 h MET 490 Ca 0.36 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1a52 h MET 490 Cb 0.28 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1a52 h MET 490 CO -0.13 1.19 -0.15 0.00 1.06 0.00 0.00 176.91 178.88 1a52 h ALA 491 N 0.61 -0.41 -0.91 6.32 0.00 -0.16 -2.37 119.26 122.33 1a52 h ALA 491 Ca -0.11 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1a52 h ALA 491 Cb 1.67 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.53 1a52 h ALA 491 CO 0.18 -0.71 0.52 -0.22 0.00 0.00 0.00 179.25 179.02 1a52 h LYS 492 N -0.46 0.71 0.00 0.00 3.64 -0.89 0.95 116.57 120.52 1a52 h LYS 492 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1a52 h LYS 492 Cb 0.35 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1a52 h LYS 492 CO 0.07 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 1a52 n ALA 493 N -2.38 2.22 -0.81 5.00 0.00 -0.73 -4.87 120.51 118.94 1a52 n ALA 493 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1a52 n ALA 493 Cb 0.45 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1a52 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a52 n GLY 494 N 0.27 0.55 3.83 0.00 0.00 0.33 -5.06 105.19 105.11 1a52 n GLY 494 Ca 0.14 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1a52 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a52 s LEU 495 N 0.00 3.29 0.85 0.99 1.02 -0.93 -5.03 118.68 118.87 1a52 s LEU 495 Ca 0.00 1.61 -0.12 0.00 0.02 0.00 0.00 54.13 55.64 1a52 s LEU 495 Cb 0.00 -4.50 0.10 0.00 0.02 0.00 0.00 46.19 41.81 1a52 s LEU 495 CO 0.00 -1.16 1.12 0.42 0.02 0.00 0.00 176.35 176.76 1a52 s THR 496 N -2.89 2.46 0.47 5.49 -4.23 -1.26 -4.69 115.64 110.99 1a52 s THR 496 Ca 0.59 0.15 0.12 0.00 -1.18 0.00 0.00 61.69 61.37 1a52 s THR 496 Cb -0.13 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.04 1a52 s THR 496 CO 0.48 -0.20 2.11 -0.07 -0.54 0.00 0.00 174.62 176.40 1a52 h LEU 497 N -1.27 0.20 0.49 4.79 3.38 -1.98 0.25 115.31 121.16 1a52 h LEU 497 Ca -0.49 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1a52 h LEU 497 Cb 1.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1a52 h LEU 497 CO 0.61 0.14 -0.23 -0.61 0.09 0.00 0.00 178.44 178.44 1a52 h GLN 498 N 0.23 -0.63 -1.00 1.13 4.15 -2.00 -1.41 115.11 115.59 1a52 h GLN 498 Ca 0.06 0.04 0.18 0.00 0.77 0.00 0.00 58.65 59.70 1a52 h GLN 498 Cb -0.02 0.14 -0.10 0.00 0.21 0.00 0.00 27.48 27.71 1a52 h GLN 498 CO -0.01 -0.33 0.62 1.96 -1.93 0.00 0.00 178.83 179.13 1a52 h GLN 499 N -1.04 0.78 0.16 1.69 4.20 -1.86 0.14 115.11 119.18 1a52 h GLN 499 Ca -0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1a52 h GLN 499 Cb 0.59 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1a52 h GLN 499 CO 0.11 0.52 -0.19 1.96 -0.67 0.00 0.00 178.83 180.56 1a52 h GLN 500 N 0.80 -0.34 -0.99 1.46 4.20 -0.14 0.33 115.11 120.42 1a52 h GLN 500 Ca 0.56 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.43 1a52 h GLN 500 Cb 0.83 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.60 1a52 h GLN 500 CO -0.35 -0.23 0.62 0.45 -0.67 0.00 0.00 178.83 178.65 1a52 h HIS 501 N -0.36 1.09 -0.58 2.96 3.86 -0.82 -0.95 115.15 120.35 1a52 h HIS 501 Ca -0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1a52 h HIS 501 Cb 0.32 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 1a52 h HIS 501 CO -0.18 0.39 0.26 0.93 0.86 0.00 0.00 177.93 180.19 1a52 h GLU 502 N 0.91 0.85 -0.05 2.45 5.08 -0.27 -1.74 114.58 121.81 1a52 h GLU 502 Ca 0.51 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1a52 h GLU 502 Cb 0.61 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1a52 h GLU 502 CO -0.28 0.70 -0.66 -0.09 -1.00 0.00 0.00 179.01 177.68 1a52 h ARG 503 N 0.79 0.23 -0.34 2.33 2.43 0.54 -1.94 114.38 118.42 1a52 h ARG 503 Ca 0.20 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1a52 h ARG 503 Cb 0.15 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1a52 h ARG 503 CO -0.02 0.81 -0.04 1.25 -1.51 0.00 0.00 179.97 180.45 1a52 h LEU 504 N 0.16 0.52 -0.16 3.80 5.85 -0.80 -1.58 115.31 123.09 1a52 h LEU 504 Ca -0.01 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 1a52 h LEU 504 Cb 1.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1a52 h LEU 504 CO 0.10 0.61 -0.39 0.00 -0.34 0.00 0.00 178.44 178.42 1a52 h ALA 505 N 1.45 0.27 -0.67 1.25 0.00 -1.04 -0.86 119.26 119.65 1a52 h ALA 505 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1a52 h ALA 505 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1a52 h ALA 505 CO 0.02 0.36 0.29 1.96 0.00 0.00 0.00 179.25 181.88 1a52 h GLN 506 N 0.20 0.99 -0.28 0.00 4.20 -1.23 -0.60 115.11 118.39 1a52 h GLN 506 Ca -0.00 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1a52 h GLN 506 Cb 1.00 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1a52 h GLN 506 CO 0.09 0.81 0.10 -0.07 -0.67 0.00 0.00 178.83 179.09 1a52 h LEU 507 N 0.95 0.39 -0.72 1.46 3.38 -1.25 -2.65 115.31 116.86 1a52 h LEU 507 Ca 0.23 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1a52 h LEU 507 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1a52 h LEU 507 CO -0.02 0.46 -0.20 -0.07 0.09 0.00 0.00 178.44 178.70 1a52 h LEU 508 N 0.30 0.77 -1.79 1.67 3.38 -0.96 -2.72 115.31 115.97 1a52 h LEU 508 Ca 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1a52 h LEU 508 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1a52 h LEU 508 CO -0.01 0.96 -0.15 -0.07 0.09 0.00 0.00 178.44 179.26 1a52 h LEU 509 N 0.67 0.00 -0.44 1.67 3.38 -1.06 -1.78 115.31 117.75 1a52 h LEU 509 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1a52 h LEU 509 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1a52 h LEU 509 CO 0.05 0.15 -0.09 0.40 0.09 0.00 0.00 178.44 179.05 1a52 h ILE 510 N 0.00 1.27 -0.90 1.22 2.04 -1.15 -1.34 117.51 118.66 1a52 h ILE 510 Ca -0.00 -1.19 0.26 0.00 1.00 0.00 0.00 64.86 64.93 1a52 h ILE 510 Cb 0.31 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1a52 h ILE 510 CO 0.02 0.41 0.77 -0.07 0.00 0.00 0.00 178.15 179.28 1a52 h LEU 511 N 0.67 0.00 0.18 1.44 3.38 -1.22 0.73 115.31 120.49 1a52 h LEU 511 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1a52 h LEU 511 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1a52 h LEU 511 CO 0.04 0.00 -0.09 -1.28 0.09 0.00 0.00 178.44 177.20 1a52 h SER 512 N 0.00 -0.21 0.02 -0.43 0.87 -1.21 -0.47 113.55 112.13 1a52 h SER 512 Ca 0.43 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1a52 h SER 512 Cb 1.97 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1a52 h SER 512 CO -0.00 0.17 -0.02 -0.74 -0.53 0.00 0.00 176.83 175.71 1a52 h HIS 513 N -0.61 0.00 -0.32 2.24 -0.00 0.46 0.55 115.15 117.47 1a52 h HIS 513 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.23 1a52 h HIS 513 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1a52 h HIS 513 CO 0.04 0.02 -0.24 0.82 -0.00 0.00 0.00 177.93 178.57 1a52 h ILE 514 N 0.00 1.29 -0.87 6.26 2.04 -0.77 -0.84 117.51 124.62 1a52 h ILE 514 Ca -0.00 -1.38 0.11 0.00 1.00 0.00 0.00 64.86 64.58 1a52 h ILE 514 Cb 0.03 1.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 1a52 h ILE 514 CO 0.00 0.45 0.51 -0.09 0.00 0.00 0.00 178.15 179.02 1a52 h ARG 515 N 0.48 0.80 0.21 2.37 9.65 0.77 0.37 114.38 129.04 1a52 h ARG 515 Ca 0.06 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1a52 h ARG 515 Cb 0.79 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1a52 h ARG 515 CO 0.06 0.53 -0.12 1.25 2.80 0.00 0.00 179.97 184.50 1a52 h HIS 516 N 0.83 -0.31 -1.27 2.20 2.76 -0.82 -1.70 115.15 116.84 1a52 h HIS 516 Ca 0.43 -0.00 0.39 0.00 -2.20 0.00 0.00 60.37 58.98 1a52 h HIS 516 Cb 0.42 0.11 -0.11 0.00 1.55 0.00 0.00 27.41 29.38 1a52 h HIS 516 CO -0.05 -0.18 0.84 0.52 -1.30 0.00 0.00 177.93 177.76 1a52 h MET 517 N -0.30 0.15 0.09 5.26 2.86 -0.74 0.46 114.93 122.72 1a52 h MET 517 Ca -0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1a52 h MET 517 Cb 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1a52 h MET 517 CO 0.04 0.10 -0.04 1.03 1.06 0.00 0.00 176.91 179.09 1a52 h SER 518 N 0.16 -0.11 -0.74 1.22 0.87 -0.40 0.28 113.55 114.83 1a52 h SER 518 Ca 0.74 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1a52 h SER 518 Cb 2.32 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 64.28 1a52 h SER 518 CO -0.32 0.08 0.44 0.78 -0.53 0.00 0.00 176.83 177.28 1a52 h ASN 519 N -0.29 0.88 -0.43 6.23 2.35 0.79 0.36 115.58 125.48 1a52 h ASN 519 Ca -0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1a52 h ASN 519 Cb 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1a52 h ASN 519 CO 0.02 0.69 0.28 0.11 -1.65 0.00 0.00 177.43 176.88 1a52 h LYS 520 N 1.00 0.57 -0.26 0.81 1.79 -1.13 -0.78 116.57 118.58 1a52 h LYS 520 Ca 0.26 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1a52 h LYS 520 Cb -0.03 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 1a52 h LYS 520 CO -0.05 0.38 0.15 0.78 -1.08 0.00 0.00 179.45 179.64 1a52 h GLY 521 N 0.58 0.35 0.39 3.86 0.00 0.55 -0.85 103.07 107.96 1a52 h GLY 521 Ca 0.16 -0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.48 1a52 h GLY 521 CO -0.03 0.10 0.39 -0.33 0.00 0.00 0.00 176.54 176.67 1a52 h MET 522 N 0.31 0.60 0.07 4.80 2.86 0.14 0.19 114.93 123.91 1a52 h MET 522 Ca 0.10 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1a52 h MET 522 Cb -0.01 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1a52 h MET 522 CO -0.05 0.40 -0.03 0.93 1.06 0.00 0.00 176.91 179.22 1a52 h GLU 523 N 0.62 -0.09 -0.65 1.72 5.08 -0.46 -2.47 114.58 118.33 1a52 h GLU 523 Ca 0.39 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1a52 h GLU 523 Cb 0.46 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1a52 h GLU 523 CO -0.30 0.05 0.36 1.25 -1.00 0.00 0.00 179.01 179.36 1a52 h HIS 524 N -0.22 0.87 0.41 4.33 2.76 -0.48 -1.91 115.15 120.90 1a52 h HIS 524 Ca -0.01 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1a52 h HIS 524 Cb 0.18 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1a52 h HIS 524 CO -0.03 0.60 -0.20 1.25 -1.30 0.00 0.00 177.93 178.25 1a52 h LEU 525 N 0.90 -0.46 -1.43 0.26 5.85 -0.49 -2.82 115.31 117.12 1a52 h LEU 525 Ca 0.23 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1a52 h LEU 525 Cb 0.02 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1a52 h LEU 525 CO -0.04 -0.19 0.14 1.88 -0.34 0.00 0.00 178.44 179.89 1a52 h TYR 526 N -0.73 0.52 0.00 1.25 0.05 -1.36 -0.21 116.97 116.48 1a52 h TYR 526 Ca -0.06 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1a52 h TYR 526 Cb 0.51 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1a52 h TYR 526 CO -0.01 0.42 -0.16 0.66 -1.05 0.00 0.00 178.16 178.03 1a52 h SER 527 N 0.53 0.00 -0.16 3.88 4.64 -1.30 -1.92 113.55 119.21 1a52 h SER 527 Ca 0.13 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 1a52 h SER 527 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1a52 h SER 527 CO -0.01 0.16 -0.31 0.24 -0.87 0.00 0.00 176.83 176.03 1a52 h MET 528 N 0.00 0.50 0.00 4.77 2.86 -0.78 -2.67 114.93 119.60 1a52 h MET 528 Ca -0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1a52 h MET 528 Cb 0.31 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1a52 h MET 528 CO 0.02 0.93 0.00 1.63 1.06 0.00 0.00 176.91 180.55 1a52 n LYS 529 N -4.36 0.13 -0.04 1.72 5.02 -0.77 -1.67 118.16 118.18 1a52 n LYS 529 Ca -0.06 0.53 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1a52 n LYS 529 Cb 0.48 -1.85 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1a52 n LYS 529 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a52 n LYS 531 N -4.13 0.00 -1.54 0.00 5.02 -1.03 -4.69 118.16 111.80 1a52 n LYS 531 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 1a52 n LYS 531 Cb 0.08 -0.14 -0.08 0.00 -0.02 0.00 0.00 35.03 34.86 1a52 n LYS 531 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1a52 n ASN 532 N 0.00 1.39 0.00 4.39 2.85 -0.67 -4.55 115.26 118.67 1a52 n ASN 532 Ca 0.00 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 1a52 n ASN 532 Cb 0.00 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 39.67 1a52 n ASN 532 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1a52 n VAL 533 N 7.81 0.00 -2.15 3.44 0.31 -1.26 -4.32 118.33 122.16 1a52 n VAL 533 Ca 0.49 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.39 1a52 n VAL 533 Cb 0.37 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.27 1a52 n VAL 533 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a52 s VAL 534 N 0.00 3.76 0.35 2.52 1.01 -1.26 -4.93 120.40 121.85 1a52 s VAL 534 Ca 0.00 0.98 0.20 0.00 0.00 0.00 0.00 61.98 63.17 1a52 s VAL 534 Cb 0.00 -3.63 0.34 0.00 0.00 0.00 0.00 36.38 33.08 1a52 s VAL 534 CO 0.00 -0.07 1.47 -2.65 0.00 0.00 0.00 175.10 173.86 1a52 n PRO 535 N 6.60 -0.05 0.00 2.72 -0.02 -1.26 -4.68 135.00 138.30 1a52 n PRO 535 Ca 0.16 1.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.92 1a52 n PRO 535 Cb 0.43 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1a52 n PRO 535 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1a52 n LEU 536 N -5.08 0.00 -0.27 2.45 -0.00 -1.26 -0.82 117.00 112.03 1a52 n LEU 536 Ca 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.34 1a52 n LEU 536 Cb 1.22 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.68 1a52 n LEU 536 CO 0.02 0.00 0.63 0.10 -0.00 0.00 0.00 177.39 178.14 1a52 h TYR 537 N 0.00 -0.87 -0.35 1.47 -0.00 -1.99 0.16 116.97 115.39 1a52 h TYR 537 Ca 0.00 0.08 0.05 0.00 -0.00 0.00 0.00 58.73 58.87 1a52 h TYR 537 Cb 0.00 0.49 -0.05 0.00 -0.00 0.00 0.00 36.73 37.17 1a52 h TYR 537 CO 0.00 -0.38 0.05 0.38 -0.00 0.00 0.00 178.16 178.21 1a52 h ASP 538 N -0.08 -0.02 0.07 0.10 -0.00 -1.34 0.24 116.42 115.39 1a52 h ASP 538 Ca 0.30 0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.39 1a52 h ASP 538 Cb 0.57 0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 39.99 1a52 h ASP 538 CO -0.80 0.03 -0.03 -0.07 -0.00 0.00 0.00 179.24 178.36 1a52 h LEU 539 N 0.17 0.00 0.14 0.15 3.38 -0.97 -1.39 115.31 116.79 1a52 h LEU 539 Ca 0.17 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 1a52 h LEU 539 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1a52 h LEU 539 CO -0.23 0.03 -1.31 -0.07 0.09 0.00 0.00 178.44 176.95 1a52 h LEU 540 N 0.00 0.45 -0.36 1.67 3.38 0.52 -2.86 115.31 118.11 1a52 h LEU 540 Ca -0.00 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.14 1a52 h LEU 540 Cb 0.07 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1a52 h LEU 540 CO 0.00 1.59 0.01 -0.07 0.09 0.00 0.00 178.44 180.06 1a52 h LEU 541 N -0.25 -0.12 0.00 1.67 -0.00 -0.25 0.28 115.31 116.64 1a52 h LEU 541 Ca -0.27 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1a52 h LEU 541 Cb 1.79 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1a52 h LEU 541 CO 0.11 -0.02 0.00 -1.84 -0.00 0.00 0.00 178.44 176.68 1a52 n GLU 542 N -5.17 0.00 -0.18 1.13 0.00 -0.55 -3.06 120.64 112.81 1a52 n GLU 542 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.30 1a52 n GLU 542 Cb 0.18 -0.44 0.23 0.00 0.00 0.00 0.00 31.44 31.41 1a52 n GLU 542 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a52 n MET 543 N 0.00 -0.04 0.00 3.44 2.00 -1.08 -5.10 117.12 116.34 1a52 n MET 543 Ca 0.00 0.77 0.11 0.00 0.00 0.00 0.00 57.70 58.58 1a52 n MET 543 Cb 0.00 -1.29 0.67 0.00 0.00 0.00 0.00 33.22 32.60 1a52 n MET 543 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25