#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwx s LEU 335 N 0.00 3.28 0.27 4.31 1.43 -1.26 -4.87 118.68 121.84 2wwx s LEU 335 Ca 0.00 1.95 -0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2wwx s LEU 335 Cb 0.00 -4.54 0.57 0.00 0.03 0.00 0.00 46.19 42.25 2wwx s LEU 335 CO 0.00 -1.76 1.75 1.23 0.23 0.00 0.00 176.35 177.80 2wwx h GLY 336 N -0.32 1.41 1.20 -3.19 0.00 -2.06 -0.44 103.07 99.67 2wwx h GLY 336 Ca -0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2wwx h GLY 336 CO 0.53 -0.09 0.46 -0.24 0.00 0.00 0.00 176.54 177.20 2wwx h VAL 337 N 0.57 1.22 -0.46 4.60 3.04 -1.99 -0.94 116.25 122.28 2wwx h VAL 337 Ca 0.48 -0.50 -0.10 0.00 -1.01 0.00 0.00 66.70 65.57 2wwx h VAL 337 Cb 0.74 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 2wwx h VAL 337 CO -0.40 0.23 -0.12 1.56 -1.01 0.00 0.00 177.57 177.83 2wwx h GLN 338 N 1.08 0.84 -0.05 4.17 4.20 -1.47 -1.12 115.11 122.75 2wwx h GLN 338 Ca 0.28 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2wwx h GLN 338 Cb -0.03 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2wwx h GLN 338 CO -0.05 0.92 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.94 2wwx h ARG 339 N 0.75 0.10 -0.55 1.46 2.43 -0.80 -1.41 114.38 116.35 2wwx h ARG 339 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2wwx h ARG 339 Cb 0.63 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2wwx h ARG 339 CO 0.04 0.39 0.36 0.28 -1.51 0.00 0.00 179.97 179.53 2wwx h VAL 340 N -0.21 1.15 -0.26 0.20 2.07 -1.11 -1.53 116.25 116.55 2wwx h VAL 340 Ca 0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2wwx h VAL 340 Cb 0.35 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2wwx h VAL 340 CO 0.00 0.15 0.15 0.74 0.02 0.00 0.00 177.57 178.63 2wwx h THR 341 N 0.75 1.11 -0.29 2.57 2.02 -1.18 -0.63 112.91 117.25 2wwx h THR 341 Ca 0.20 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2wwx h THR 341 Cb -0.06 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2wwx h THR 341 CO -0.04 0.11 0.18 -0.09 0.37 0.00 0.00 175.52 176.04 2wwx h ARG 342 N 0.32 0.35 -0.43 6.66 2.43 -1.04 0.09 114.38 122.77 2wwx h ARG 342 Ca 0.09 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2wwx h ARG 342 Cb 0.04 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2wwx h ARG 342 CO -0.02 0.23 0.20 0.82 -1.51 0.00 0.00 179.97 179.70 2wwx h ILE 343 N 0.36 1.18 -0.43 1.20 2.04 -1.11 0.84 117.51 121.59 2wwx h ILE 343 Ca 0.11 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2wwx h ILE 343 Cb -0.02 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2wwx h ILE 343 CO -0.04 0.20 0.27 -0.08 0.00 0.00 0.00 178.15 178.50 2wwx h GLU 344 N 0.56 0.53 -0.72 2.37 4.81 -0.92 -0.97 114.58 120.25 2wwx h GLU 344 Ca 0.15 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2wwx h GLU 344 Cb 0.13 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2wwx h GLU 344 CO -0.02 0.35 0.23 -0.91 -0.73 0.00 0.00 179.01 177.94 2wwx h ASN 345 N 0.55 1.04 -0.72 1.04 2.35 -0.64 -1.54 115.58 117.66 2wwx h ASN 345 Ca 0.16 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2wwx h ASN 345 Cb -0.03 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 2wwx h ASN 345 CO -0.06 0.97 0.30 -0.07 -1.65 0.00 0.00 177.43 176.93 2wwx h LEU 346 N 1.06 1.00 -0.59 1.61 3.38 -0.50 0.33 115.31 121.60 2wwx h LEU 346 Ca 0.23 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2wwx h LEU 346 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2wwx h LEU 346 CO -0.01 0.88 0.07 -0.33 0.09 0.00 0.00 178.44 179.15 2wwx h GLU 347 N 1.07 0.99 -0.20 1.13 4.39 -0.93 -0.32 114.58 120.71 2wwx h GLU 347 Ca 0.25 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 2wwx h GLU 347 Cb 0.19 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2wwx h GLU 347 CO -0.02 0.95 -0.46 -0.91 -1.16 0.00 0.00 179.01 177.41 2wwx h ASN 348 N 0.89 0.54 -0.47 1.42 2.35 -0.99 -2.19 115.58 117.13 2wwx h ASN 348 Ca 0.18 -0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 2wwx h ASN 348 Cb 0.45 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2wwx h ASN 348 CO 0.02 0.92 -0.11 0.00 -1.65 0.00 0.00 177.43 176.61 2wwx h ALA 349 N 1.10 0.85 -0.72 -0.83 0.00 -0.72 -1.94 119.26 117.00 2wwx h ALA 349 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2wwx h ALA 349 Cb 0.96 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2wwx h ALA 349 CO 0.08 0.65 0.45 -0.22 0.00 0.00 0.00 179.25 180.21 2wwx h LYS 350 N 0.84 0.84 -0.81 0.00 3.64 -0.90 0.09 116.57 120.27 2wwx h LYS 350 Ca 0.13 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2wwx h LYS 350 Cb 0.65 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2wwx h LYS 350 CO 0.04 0.55 0.43 0.87 -2.27 0.00 0.00 179.45 179.08 2wwx h LYS 351 N 0.86 1.13 -0.44 1.90 1.57 -1.02 0.02 116.57 120.60 2wwx h LYS 351 Ca 0.30 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 2wwx h LYS 351 Cb 0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2wwx h LYS 351 CO -0.12 0.85 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.37 2wwx h LEU 352 N 1.13 0.83 -0.38 2.94 3.38 -0.83 -1.26 115.31 121.12 2wwx h LEU 352 Ca 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wwx h LEU 352 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2wwx h LEU 352 CO -0.04 0.99 0.18 -0.25 0.09 0.00 0.00 178.44 179.41 2wwx h TRP 353 N 0.74 0.55 -0.98 1.13 7.01 -0.59 -2.06 115.95 121.75 2wwx h TRP 353 Ca 0.11 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.16 2wwx h TRP 353 Cb 0.68 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 27.50 2wwx h TRP 353 CO 0.04 0.48 0.63 -0.44 -2.79 0.00 0.00 178.44 176.35 2wwx h ASP 354 N 0.47 0.99 -0.54 2.65 3.32 -0.75 -0.04 116.42 122.52 2wwx h ASP 354 Ca 0.13 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2wwx h ASP 354 Cb 0.14 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2wwx h ASP 354 CO -0.02 0.62 0.19 -1.13 -1.72 0.00 0.00 179.24 177.18 2wwx h ASN 355 N 1.12 0.77 -0.60 6.45 -1.24 -0.89 0.99 115.58 122.17 2wwx h ASN 355 Ca 0.44 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 2wwx h ASN 355 Cb 0.22 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2wwx h ASN 355 CO -0.19 0.75 0.27 0.00 -1.29 0.00 0.00 177.43 176.98 2wwx h ALA 356 N 1.04 0.78 -0.57 1.57 0.00 -0.70 -1.51 119.26 119.87 2wwx h ALA 356 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2wwx h ALA 356 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2wwx h ALA 356 CO -0.01 0.36 0.17 -0.97 0.00 0.00 0.00 179.25 178.80 2wwx h ASN 357 N 0.83 0.80 -0.41 0.00 -1.24 -0.74 -1.38 115.58 113.45 2wwx h ASN 357 Ca 0.20 -0.13 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 2wwx h ASN 357 Cb 0.15 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 2wwx h ASN 357 CO -0.02 0.77 0.11 -1.28 -1.29 0.00 0.00 177.43 175.71 2wwx h SER 358 N 0.84 0.61 -0.77 1.15 0.87 -0.45 -0.96 113.55 114.84 2wwx h SER 358 Ca 0.19 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2wwx h SER 358 Cb 0.26 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2wwx h SER 358 CO -0.01 0.67 0.51 0.24 -0.53 0.00 0.00 176.83 177.72 2wwx h MET 359 N 0.51 1.01 -0.34 2.24 2.86 -0.95 -1.74 114.93 118.53 2wwx h MET 359 Ca 0.13 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2wwx h MET 359 Cb 0.29 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2wwx h MET 359 CO -0.00 0.67 0.18 1.25 1.06 0.00 0.00 176.91 180.07 2wwx h LEU 360 N 1.04 0.28 -1.43 1.22 5.85 -1.11 -1.12 115.31 120.03 2wwx h LEU 360 Ca 0.29 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.03 2wwx h LEU 360 Cb -0.11 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2wwx h LEU 360 CO -0.07 0.20 0.39 -0.08 -0.34 0.00 0.00 178.44 178.55 2wwx h GLU 361 N 0.37 0.75 0.00 1.25 4.57 -0.69 -0.86 114.58 119.98 2wwx h GLU 361 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2wwx h GLU 361 Cb 0.03 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2wwx h GLU 361 CO -0.08 0.50 0.00 1.63 -1.18 0.00 0.00 179.01 179.87 2wwx n LYS 362 N -4.45 0.06 -1.37 1.92 5.02 -0.70 -4.90 118.16 113.73 2wwx n LYS 362 Ca 0.06 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 2wwx n LYS 362 Cb 0.07 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 2wwx n LYS 362 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wwx n GLY 363 N 0.82 1.00 3.48 0.72 0.00 -0.33 -4.97 105.19 105.92 2wwx n GLY 363 Ca 0.06 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 2wwx n GLY 363 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wwx s ASN 364 N -2.87 6.50 0.09 1.61 3.84 -0.46 -4.89 114.94 118.76 2wwx s ASN 364 Ca 0.00 -1.65 -0.24 0.00 0.21 0.00 0.00 52.86 51.18 2wwx s ASN 364 Cb 0.00 -2.45 -0.16 0.00 -0.55 0.00 0.00 41.25 38.10 2wwx s ASN 364 CO 0.00 -1.27 1.72 0.40 -2.79 0.00 0.00 177.10 175.16 2wwx h ILE 365 N 6.09 0.94 -0.62 -5.21 2.04 -1.93 0.10 117.51 118.92 2wwx h ILE 365 Ca 0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2wwx h ILE 365 Cb 1.03 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2wwx h ILE 365 CO 1.20 0.01 0.39 0.28 0.00 0.00 0.00 178.15 180.03 2wwx h SER 366 N -0.11 0.73 -0.58 1.72 0.02 -1.90 -1.61 113.55 111.82 2wwx h SER 366 Ca -0.01 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2wwx h SER 366 Cb 0.09 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2wwx h SER 366 CO 0.02 0.55 -0.00 1.23 -1.14 0.00 0.00 176.83 177.48 2wwx h GLY 367 N 0.84 1.11 0.98 -3.77 0.00 -1.87 -2.08 103.07 98.26 2wwx h GLY 367 Ca 0.22 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2wwx h GLY 367 CO -0.05 0.75 0.12 -1.82 0.00 0.00 0.00 176.54 175.54 2wwx h TYR 368 N 0.91 0.25 -0.80 5.60 3.20 -0.50 -0.77 116.97 124.87 2wwx h TYR 368 Ca 0.16 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2wwx h TYR 368 Cb 0.55 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2wwx h TYR 368 CO 0.04 0.19 0.42 -0.07 -1.64 0.00 0.00 178.16 177.10 2wwx h LEU 369 N 0.24 1.01 -0.38 2.82 3.38 -1.16 0.22 115.31 121.44 2wwx h LEU 369 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wwx h LEU 369 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2wwx h LEU 369 CO -0.01 0.84 0.17 0.50 0.09 0.00 0.00 178.44 180.02 2wwx h LYS 370 N 1.11 0.57 -0.43 1.13 3.64 -1.24 -1.45 116.57 119.89 2wwx h LYS 370 Ca 0.28 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2wwx h LYS 370 Cb 0.07 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2wwx h LYS 370 CO -0.04 0.53 -0.20 0.00 -2.27 0.00 0.00 179.45 177.47 2wwx h ALA 371 N 1.01 0.83 -0.81 5.00 0.00 -0.70 -1.04 119.26 123.54 2wwx h ALA 371 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2wwx h ALA 371 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2wwx h ALA 371 CO -0.01 0.65 0.45 0.00 0.00 0.00 0.00 179.25 180.33 2wwx h ALA 372 N 1.02 1.25 -0.50 0.00 0.00 -0.43 -0.84 119.26 119.76 2wwx h ALA 372 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2wwx h ALA 372 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wwx h ALA 372 CO 0.06 0.61 -0.02 -0.97 0.00 0.00 0.00 179.25 178.92 2wwx h ASN 373 N 1.14 0.89 -0.65 0.00 -1.24 -0.88 -1.60 115.58 113.23 2wwx h ASN 373 Ca 0.29 -0.32 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 2wwx h ASN 373 Cb 0.02 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 2wwx h ASN 373 CO -0.05 0.99 0.24 -0.33 -1.29 0.00 0.00 177.43 176.99 2wwx h GLU 374 N 0.76 1.02 -0.02 6.67 4.39 -0.77 0.53 114.58 127.17 2wwx h GLU 374 Ca 0.14 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2wwx h GLU 374 Cb 0.54 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wwx h GLU 374 CO 0.03 0.86 0.01 1.25 -1.16 0.00 0.00 179.01 180.00 2wwx h LEU 375 N 0.99 0.02 -0.27 1.33 5.85 -1.03 -1.61 115.31 120.60 2wwx h LEU 375 Ca 0.22 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2wwx h LEU 375 Cb 0.25 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2wwx h LEU 375 CO -0.01 0.05 0.15 -0.74 -0.34 0.00 0.00 178.44 177.55 2wwx h HIS 376 N -0.01 0.36 -0.61 1.25 2.76 -0.85 -1.27 115.15 116.78 2wwx h HIS 376 Ca 0.01 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2wwx h HIS 376 Cb 0.03 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 2wwx h HIS 376 CO -0.07 0.30 0.33 0.87 -1.30 0.00 0.00 177.93 178.07 2wwx h LYS 377 N 0.32 0.61 -0.25 5.26 1.57 -0.85 -1.52 116.57 121.71 2wwx h LYS 377 Ca 0.09 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2wwx h LYS 377 Cb 0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2wwx h LYS 377 CO -0.02 0.41 -0.03 0.35 -0.57 0.00 0.00 179.45 179.59 2wwx h PHE 378 N 0.63 0.52 -0.89 -1.35 3.57 -1.04 -0.63 116.94 117.74 2wwx h PHE 378 Ca 0.27 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2wwx h PHE 378 Cb 0.15 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2wwx h PHE 378 CO -0.08 0.66 0.50 0.52 -2.23 0.00 0.00 178.31 177.68 2wwx h MET 379 N 0.23 1.24 -0.11 1.11 2.86 -1.08 -0.71 114.93 118.47 2wwx h MET 379 Ca 0.07 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2wwx h MET 379 Cb 0.47 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wwx h MET 379 CO 0.02 0.89 0.03 0.87 1.06 0.00 0.00 176.91 179.78 2wwx h LYS 380 N 1.25 0.17 -0.92 1.72 1.79 -1.12 -0.17 116.57 119.28 2wwx h LYS 380 Ca 0.32 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.84 2wwx h LYS 380 Cb 0.00 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.56 2wwx h LYS 380 CO -0.05 0.32 0.59 1.49 -1.08 0.00 0.00 179.45 180.71 2wwx h GLU 381 N -0.01 0.93 -0.26 3.15 4.81 -0.78 -2.68 114.58 119.74 2wwx h GLU 381 Ca 0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2wwx h GLU 381 Cb 0.22 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2wwx h GLU 381 CO -0.00 0.62 0.00 1.63 -0.73 0.00 0.00 179.01 180.53 2wwx n LYS 382 N -4.53 2.26 -3.52 1.92 4.76 -0.30 -4.96 118.16 113.79 2wwx n LYS 382 Ca 0.15 -1.88 -0.22 0.00 -2.87 0.00 0.00 58.31 53.49 2wwx n LYS 382 Cb 0.27 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.06 2wwx n LYS 382 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wwx n ASN 383 N 1.13 -5.94 -4.70 4.39 5.03 -0.64 -5.00 115.26 109.52 2wwx n ASN 383 Ca 0.18 -0.51 -0.35 0.00 0.87 0.00 0.00 54.58 54.77 2wwx n ASN 383 Cb 0.53 -4.76 -0.09 0.00 -1.02 0.00 0.00 39.78 34.44 2wwx n ASN 383 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2wwx s LEU 384 N -6.88 3.64 0.32 3.41 1.43 -0.17 -5.04 118.68 115.39 2wwx s LEU 384 Ca 0.53 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2wwx s LEU 384 Cb -0.23 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2wwx s LEU 384 CO 0.68 0.36 0.15 -1.59 0.23 0.00 0.00 176.35 176.18 2wwx s LYS 385 N -1.04 2.45 0.27 1.70 -2.85 -1.26 -4.52 119.74 114.50 2wwx s LYS 385 Ca 0.15 -1.46 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 2wwx s LYS 385 Cb -0.11 -2.24 0.60 0.00 -2.06 0.00 0.00 37.83 34.02 2wwx s LYS 385 CO 0.04 0.17 1.71 0.93 0.10 0.00 0.00 175.35 178.30 2wwx h GLU 386 N 1.55 0.40 0.00 1.78 3.07 -1.95 0.40 114.58 119.84 2wwx h GLU 386 Ca -0.44 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 2wwx h GLU 386 Cb 1.25 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2wwx h GLU 386 CO 0.62 0.27 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.94 2wwx h ASP 387 N 0.42 0.00 -0.07 1.42 3.32 -1.91 -1.70 116.42 117.90 2wwx h ASP 387 Ca 0.49 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.34 2wwx h ASP 387 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2wwx h ASP 387 CO -0.48 0.11 -0.69 0.44 -1.72 0.00 0.00 179.24 176.90 2wwx h ASP 388 N 0.00 0.81 0.94 6.45 3.45 -1.32 -3.32 116.42 123.43 2wwx h ASP 388 Ca -0.00 -0.50 -0.21 0.00 0.43 0.00 0.00 57.03 56.75 2wwx h ASP 388 Cb 0.21 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 2wwx h ASP 388 CO 0.01 1.28 -1.11 0.25 -1.57 0.00 0.00 179.24 178.10 2wwx h LEU 389 N 0.50 0.00 -0.60 1.55 5.85 -1.16 -3.39 115.31 118.07 2wwx h LEU 389 Ca -0.03 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2wwx h LEU 389 Cb 1.29 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.24 2wwx h LEU 389 CO 0.14 0.90 0.15 -0.09 -0.34 0.00 0.00 178.44 179.20 2wwx h ARG 390 N 0.00 0.29 -0.02 1.25 2.43 -1.24 0.37 114.38 117.45 2wwx h ARG 390 Ca -0.08 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2wwx h ARG 390 Cb 1.75 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2wwx h ARG 390 CO 0.10 0.19 0.02 -1.35 -1.51 0.00 0.00 179.97 177.42 2wwx h PRO 391 N 0.30 0.00 0.00 0.20 0.11 -1.78 -1.49 132.00 129.34 2wwx h PRO 391 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2wwx h PRO 391 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2wwx h PRO 391 CO -0.37 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.81 2wwx n GLU 392 N -3.96 0.19 -0.54 1.05 -0.58 0.11 -3.24 120.64 113.68 2wwx n GLU 392 Ca -0.03 0.30 0.09 0.00 -0.42 0.00 0.00 57.16 57.11 2wwx n GLU 392 Cb 0.11 -1.79 0.33 0.00 -0.57 0.00 0.00 31.44 29.52 2wwx n GLU 392 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wwx n LEU 393 N -2.13 4.47 -0.10 -4.62 4.77 -0.56 -4.64 117.00 114.19 2wwx n LEU 393 Ca 0.04 -2.40 0.09 0.00 -0.03 0.00 0.00 56.01 53.70 2wwx n LEU 393 Cb 0.31 -0.54 0.44 0.00 -2.33 0.00 0.00 43.42 41.30 2wwx n LEU 393 CO 0.24 0.82 1.19 0.77 -1.33 0.00 0.00 177.39 179.07 2wwx h SER 394 N 3.76 0.47 -0.53 -1.43 4.64 -1.65 -1.23 113.55 117.58 2wwx h SER 394 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wwx h SER 394 Cb 1.35 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2wwx h SER 394 CO 0.19 0.30 0.00 -0.90 -0.87 0.00 0.00 176.83 175.55 2wwx n ASP 395 N -4.48 3.73 -4.64 4.97 5.75 -1.26 -4.92 116.55 115.71 2wwx n ASP 395 Ca 0.09 -2.29 -0.28 0.00 -0.01 0.00 0.00 54.79 52.30 2wwx n ASP 395 Cb 0.27 -0.49 -0.08 0.00 -1.03 0.00 0.00 41.12 39.79 2wwx n ASP 395 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2wwx s LYS 396 N -1.68 2.34 -0.00 0.11 -0.14 -0.47 -5.13 119.74 114.77 2wwx s LYS 396 Ca 0.40 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 2wwx s LYS 396 Cb 0.25 -2.37 -0.00 0.00 -1.68 0.00 0.00 37.83 34.03 2wwx s LYS 396 CO 0.21 0.48 -0.01 0.95 -0.76 0.00 0.00 175.35 176.22 2wwx s THR 397 N -1.54 0.11 -0.17 2.17 -4.23 -1.26 -5.05 115.64 105.67 2wwx s THR 397 Ca 0.26 -0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 2wwx s THR 397 Cb -0.10 -0.10 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 2wwx s THR 397 CO 0.17 0.03 0.54 -0.63 -0.54 0.00 0.00 174.62 174.19 2wwx s ILE 398 N -0.04 5.11 0.74 2.99 1.01 -1.26 -5.08 121.20 124.68 2wwx s ILE 398 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.57 2wwx s ILE 398 Cb -0.01 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.64 2wwx s ILE 398 CO -0.00 0.21 1.08 -0.94 0.00 0.00 0.00 174.94 175.29 2wwx s SER 399 N 1.00 4.98 0.30 3.58 1.04 -1.26 -4.79 113.70 118.54 2wwx s SER 399 Ca 0.26 1.40 0.05 0.00 0.48 0.00 0.00 55.95 58.15 2wwx s SER 399 Cb -0.16 -2.21 0.71 0.00 0.10 0.00 0.00 66.02 64.47 2wwx s SER 399 CO 0.10 -1.67 1.78 -0.65 0.98 0.00 0.00 173.24 173.78 2wwx h PRO 400 N -0.88 0.76 -0.13 4.02 0.11 -1.95 0.12 132.00 134.04 2wwx h PRO 400 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wwx h PRO 400 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2wwx h PRO 400 CO 0.59 0.50 0.08 -0.22 -0.21 0.00 0.00 178.00 178.75 2wwx h LYS 401 N 0.78 0.18 -0.53 1.05 3.64 -1.92 -0.36 116.57 119.42 2wwx h LYS 401 Ca 0.57 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.98 2wwx h LYS 401 Cb 0.85 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 2wwx h LYS 401 CO -0.37 0.15 0.27 0.78 -2.27 0.00 0.00 179.45 178.01 2wwx h GLY 402 N 0.15 0.74 1.49 5.01 0.00 -1.58 -1.25 103.07 107.64 2wwx h GLY 402 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2wwx h GLY 402 CO -0.01 0.11 -0.03 -0.97 0.00 0.00 0.00 176.54 175.64 2wwx h TYR 403 N 0.52 0.66 -0.72 5.60 0.05 -0.64 -0.28 116.97 122.16 2wwx h TYR 403 Ca 0.23 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.89 2wwx h TYR 403 Cb 0.14 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 2wwx h TYR 403 CO -0.10 0.65 0.30 0.00 -1.05 0.00 0.00 178.16 177.96 2wwx h ALA 404 N 1.38 0.93 -0.38 3.88 0.00 -0.46 0.58 119.26 125.19 2wwx h ALA 404 Ca 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2wwx h ALA 404 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wwx h ALA 404 CO 0.02 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.61 2wwx h ILE 405 N 1.02 1.26 -0.93 0.00 2.04 -0.84 -0.59 117.51 119.47 2wwx h ILE 405 Ca 0.24 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2wwx h ILE 405 Cb 0.19 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2wwx h ILE 405 CO -0.02 0.34 0.61 -0.07 0.00 0.00 0.00 178.15 179.01 2wwx h LEU 406 N 0.49 1.05 -0.57 1.44 3.38 -0.85 -0.34 115.31 119.92 2wwx h LEU 406 Ca 0.11 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2wwx h LEU 406 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wwx h LEU 406 CO 0.02 0.75 0.04 -0.61 0.09 0.00 0.00 178.44 178.73 2wwx h GLN 407 N 1.24 0.98 -0.62 1.13 4.15 -0.71 0.31 115.11 121.58 2wwx h GLN 407 Ca 0.35 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2wwx h GLN 407 Cb -0.10 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 2wwx h GLN 407 CO -0.09 0.96 0.33 0.77 -1.93 0.00 0.00 178.83 178.87 2wwx h SER 408 N 0.87 0.78 -0.55 -0.69 0.02 -0.62 -0.34 113.55 113.02 2wwx h SER 408 Ca 0.17 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2wwx h SER 408 Cb 0.49 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2wwx h SER 408 CO 0.02 0.66 0.18 -0.07 -1.14 0.00 0.00 176.83 176.47 2wwx h LEU 409 N 0.84 0.79 0.06 5.07 -0.00 -0.94 -1.11 115.31 120.03 2wwx h LEU 409 Ca 0.22 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2wwx h LEU 409 Cb 0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2wwx h LEU 409 CO -0.03 0.79 -0.03 -0.25 -0.00 0.00 0.00 178.44 178.92 2wwx h TRP 410 N 0.76 -0.07 -0.44 1.13 7.01 -0.69 0.39 115.95 124.03 2wwx h TRP 410 Ca 0.18 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 2wwx h TRP 410 Cb 0.27 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 2wwx h TRP 410 CO 0.02 0.01 0.21 0.78 -2.79 0.00 0.00 178.44 176.67 2wwx h GLY 411 N -0.13 0.68 0.88 2.65 0.00 -1.02 0.42 103.07 106.55 2wwx h GLY 411 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2wwx h GLY 411 CO 0.01 0.32 -0.01 0.00 0.00 0.00 0.00 176.54 176.86 2wwx h ALA 412 N 1.06 0.39 -0.67 3.60 0.00 -1.10 -0.41 119.26 122.13 2wwx h ALA 412 Ca 0.15 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2wwx h ALA 412 Cb 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2wwx h ALA 412 CO -0.02 0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.51 2wwx h ALA 413 N 0.82 0.89 -0.05 0.00 0.00 -0.84 0.73 119.26 120.81 2wwx h ALA 413 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wwx h ALA 413 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wwx h ALA 413 CO 0.02 0.65 0.02 1.03 0.00 0.00 0.00 179.25 180.96 2wwx h SER 414 N 1.03 0.02 -0.67 0.00 0.87 -0.78 0.57 113.55 114.59 2wwx h SER 414 Ca 0.21 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2wwx h SER 414 Cb 0.43 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2wwx h SER 414 CO 0.01 0.02 0.24 0.44 -0.53 0.00 0.00 176.83 177.01 2wwx h ASP 415 N 0.04 0.95 -0.23 6.23 3.32 -0.91 -2.70 116.42 123.12 2wwx h ASP 415 Ca 0.02 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 2wwx h ASP 415 Cb 0.01 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 2wwx h ASP 415 CO -0.02 0.88 -0.29 0.22 -1.72 0.00 0.00 179.24 178.32 2wwx h TYR 416 N 0.96 0.73 -0.81 4.55 -0.00 -0.69 0.30 116.97 122.01 2wwx h TYR 416 Ca 0.22 -0.23 0.09 0.00 -0.00 0.00 0.00 58.73 58.80 2wwx h TYR 416 Cb 0.26 -0.15 -0.07 0.00 -0.00 0.00 0.00 36.73 36.77 2wwx h TYR 416 CO 0.02 0.96 0.47 1.03 -0.00 0.00 0.00 178.16 180.63 2wwx h SER 417 N 0.30 0.68 -0.22 -2.11 0.87 -0.78 0.56 113.55 112.84 2wwx h SER 417 Ca 0.03 0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 2wwx h SER 417 Cb 0.86 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2wwx h SER 417 CO 0.07 0.40 -0.63 0.03 -0.53 0.00 0.00 176.83 176.17 2wwx h ARG 418 N 0.80 0.84 -0.15 2.24 3.08 -1.37 -3.10 114.38 116.72 2wwx h ARG 418 Ca 0.39 -0.59 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 2wwx h ARG 418 Cb 0.32 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2wwx h ARG 418 CO -0.23 1.21 -0.22 0.00 -1.07 0.00 0.00 179.97 179.66 2wwx h ALA 419 N 0.65 1.34 0.00 0.04 0.00 -0.33 -2.11 119.26 118.85 2wwx h ALA 419 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wwx h ALA 419 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wwx h ALA 419 CO 0.14 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2wwx n ALA 420 N -2.48 2.49 -2.88 0.00 0.00 0.13 -3.96 120.51 113.80 2wwx n ALA 420 Ca -0.01 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 2wwx n ALA 420 Cb 0.35 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2wwx n ALA 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwx s ALA 421 N -2.51 3.27 0.35 0.00 0.00 -0.80 -4.44 121.76 117.64 2wwx s ALA 421 Ca 0.30 -1.84 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2wwx s ALA 421 Cb 0.20 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2wwx s ALA 421 CO 0.44 -2.41 0.06 0.95 0.00 0.00 0.00 175.76 174.81 2wwx s THR 422 N 3.29 1.14 0.47 0.00 -4.23 -0.61 -4.96 115.64 110.75 2wwx s THR 422 Ca 0.18 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.86 2wwx s THR 422 Cb -0.19 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.15 2wwx s THR 422 CO 0.11 0.00 2.06 -0.07 -0.54 0.00 0.00 174.62 176.17 2wwx h LEU 423 N 2.03 0.00 0.10 4.79 3.38 -1.97 -2.72 115.31 120.92 2wwx h LEU 423 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2wwx h LEU 423 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2wwx h LEU 423 CO 0.69 0.12 -0.05 0.74 0.09 0.00 0.00 178.44 180.02 2wwx h THR 424 N 0.00 1.08 -1.89 0.22 2.02 -1.97 -3.46 112.91 108.90 2wwx h THR 424 Ca -0.00 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 2wwx h THR 424 Cb 0.21 1.52 -0.21 0.00 -1.74 0.00 0.00 68.15 67.92 2wwx h THR 424 CO 0.02 0.17 0.25 -1.83 0.37 0.00 0.00 175.52 174.49 2wwx s GLU 425 N -4.88 0.84 0.00 6.66 4.04 -1.03 -4.95 118.70 119.39 2wwx s GLU 425 Ca -0.15 0.57 0.03 0.00 0.04 0.00 0.00 54.97 55.46 2wwx s GLU 425 Cb 0.03 0.40 0.05 0.00 0.02 0.00 0.00 34.13 34.63 2wwx s GLU 425 CO 0.63 -0.19 0.91 -1.13 -1.84 0.00 0.00 175.26 173.64 2wwx n SER 426 N 1.73 0.07 -0.01 0.83 3.41 -1.25 -1.57 113.62 116.84 2wwx n SER 426 Ca -0.15 -1.78 -0.05 0.00 -0.26 0.00 0.00 58.87 56.63 2wwx n SER 426 Cb 0.56 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 2wwx n SER 426 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wwx n THR 427 N 0.06 1.00 -0.02 6.66 -1.04 -1.26 -4.65 114.28 115.03 2wwx n THR 427 Ca -0.00 0.17 -0.11 0.00 -2.04 0.00 0.00 64.05 62.07 2wwx n THR 427 Cb 0.71 -1.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.39 2wwx n THR 427 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2wwx h VAL 428 N -0.28 1.17 -0.12 12.58 2.07 -1.92 -1.59 116.25 128.16 2wwx h VAL 428 Ca -0.07 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 2wwx h VAL 428 Cb 0.60 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2wwx h VAL 428 CO -0.04 0.35 -0.01 -0.08 0.02 0.00 0.00 177.57 177.81 2wwx h GLU 429 N -0.88 0.22 -0.97 1.57 4.81 -1.90 -0.88 114.58 116.54 2wwx h GLU 429 Ca -0.01 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2wwx h GLU 429 Cb 0.63 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 2wwx h GLU 429 CO 0.01 0.48 0.64 -1.35 -0.73 0.00 0.00 179.01 178.06 2wwx h PRO 430 N -0.07 1.16 -0.12 0.92 0.11 -1.78 -1.73 132.00 130.50 2wwx h PRO 430 Ca 0.03 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2wwx h PRO 430 Cb 0.39 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2wwx h PRO 430 CO 0.01 0.77 0.08 0.78 -0.21 0.00 0.00 178.00 179.43 2wwx h GLY 431 N 1.20 0.18 0.98 -0.55 0.00 -1.05 0.42 103.07 104.25 2wwx h GLY 431 Ca 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 2wwx h GLY 431 CO -0.13 0.07 0.26 1.41 0.00 0.00 0.00 176.54 178.14 2wwx h LEU 432 N 0.14 0.57 -0.45 3.11 3.38 -0.92 -0.27 115.31 120.87 2wwx h LEU 432 Ca 0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2wwx h LEU 432 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wwx h LEU 432 CO -0.01 0.49 -0.02 0.58 0.09 0.00 0.00 178.44 179.56 2wwx h VAL 433 N 0.61 1.26 -0.56 1.22 2.07 -1.19 -2.20 116.25 117.46 2wwx h VAL 433 Ca 0.16 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 2wwx h VAL 433 Cb 0.04 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2wwx h VAL 433 CO -0.03 0.37 0.14 0.28 0.02 0.00 0.00 177.57 178.35 2wwx h SER 434 N 0.65 0.80 -0.80 0.57 0.02 -0.78 -1.72 113.55 112.29 2wwx h SER 434 Ca 0.12 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2wwx h SER 434 Cb 0.53 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 2wwx h SER 434 CO 0.03 0.78 0.39 0.00 -1.14 0.00 0.00 176.83 176.89 2wwx h ALA 435 N 1.32 1.16 -0.53 3.77 0.00 -0.76 0.43 119.26 124.65 2wwx h ALA 435 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wwx h ALA 435 Cb 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2wwx h ALA 435 CO -0.00 0.64 0.30 0.28 0.00 0.00 0.00 179.25 180.47 2wwx h VAL 436 N 1.15 1.17 -0.58 0.00 2.07 -0.80 0.56 116.25 119.83 2wwx h VAL 436 Ca 0.28 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2wwx h VAL 436 Cb 0.11 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wwx h VAL 436 CO -0.04 0.18 0.29 -1.13 0.02 0.00 0.00 177.57 176.89 2wwx h ASN 437 N 0.71 0.75 -0.45 0.57 -0.73 -0.79 -1.70 115.58 113.94 2wwx h ASN 437 Ca 0.19 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.17 2wwx h ASN 437 Cb 0.02 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 2wwx h ASN 437 CO -0.03 0.66 0.03 0.50 -0.37 0.00 0.00 177.43 178.22 2wwx h LYS 438 N 0.78 0.84 -0.67 6.67 3.64 -0.57 -0.72 116.57 126.53 2wwx h LYS 438 Ca 0.20 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2wwx h LYS 438 Cb 0.10 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2wwx h LYS 438 CO -0.03 0.82 0.27 1.98 -2.27 0.00 0.00 179.45 180.22 2wwx h MET 439 N 0.79 1.00 -0.52 1.90 4.05 -0.42 -0.45 114.93 121.28 2wwx h MET 439 Ca 0.16 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 2wwx h MET 439 Cb 0.43 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2wwx h MET 439 CO 0.02 0.84 -0.06 1.03 0.23 0.00 0.00 176.91 178.96 2wwx h SER 440 N 0.95 0.95 -0.94 1.39 0.87 -0.99 -2.74 113.55 113.04 2wwx h SER 440 Ca 0.22 -0.34 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2wwx h SER 440 Cb 0.21 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 2wwx h SER 440 CO -0.02 1.06 0.61 0.00 -0.53 0.00 0.00 176.83 177.96 2wwx h ALA 441 N 0.92 1.47 -0.59 6.23 0.00 -0.83 -2.12 119.26 124.35 2wwx h ALA 441 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wwx h ALA 441 Cb 0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2wwx h ALA 441 CO 0.04 0.39 0.37 0.35 0.00 0.00 0.00 179.25 180.39 2wwx h PHE 442 N 1.09 0.69 -0.71 0.00 3.57 -0.85 0.43 116.94 121.15 2wwx h PHE 442 Ca 0.41 0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.01 2wwx h PHE 442 Cb 0.19 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 2wwx h PHE 442 CO -0.00 0.40 0.37 0.35 -2.23 0.00 0.00 178.31 177.20 2wwx h PHE 443 N 0.73 0.67 -0.29 0.41 3.57 -1.10 -1.57 116.94 119.35 2wwx h PHE 443 Ca 0.24 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 2wwx h PHE 443 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2wwx h PHE 443 CO -0.05 0.26 -0.45 0.52 -2.23 0.00 0.00 178.31 176.36 2wwx h MET 444 N 0.64 0.73 0.00 1.11 2.86 -1.11 -3.04 114.93 116.12 2wwx h MET 444 Ca 0.34 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2wwx h MET 444 Cb 0.32 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2wwx h MET 444 CO -0.25 1.03 -0.17 -0.44 1.06 0.00 0.00 176.91 178.14 2wwx h ASP 445 N 0.59 0.00 0.30 1.22 3.32 -0.32 0.12 116.42 121.65 2wwx h ASP 445 Ca 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2wwx h ASP 445 Cb 1.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2wwx h ASP 445 CO 0.10 0.17 -0.24 0.00 -1.72 0.00 0.00 179.24 177.54 2wwx n LYS 447 N -4.09 0.67 -4.61 0.00 3.00 -0.52 -3.05 118.16 109.55 2wwx n LYS 447 Ca -0.02 0.08 -0.34 0.00 -0.00 0.00 0.00 58.31 58.03 2wwx n LYS 447 Cb 0.31 -1.52 -0.11 0.00 0.00 0.00 0.00 35.03 33.70 2wwx n LYS 447 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wwx s LEU 448 N -6.08 3.18 0.74 3.14 1.43 0.30 -4.98 118.68 116.42 2wwx s LEU 448 Ca -0.24 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2wwx s LEU 448 Cb 0.08 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.64 2wwx s LEU 448 CO 0.70 0.36 1.07 -0.94 0.23 0.00 0.00 176.35 177.78 2wwx s SER 449 N -0.82 4.93 0.14 2.29 1.04 -1.26 -4.57 113.70 115.44 2wwx s SER 449 Ca 0.13 1.60 -0.35 0.00 0.48 0.00 0.00 55.95 57.81 2wwx s SER 449 Cb -0.11 -2.41 -0.16 0.00 0.10 0.00 0.00 66.02 63.45 2wwx s SER 449 CO 0.02 -1.73 1.30 -2.65 0.98 0.00 0.00 173.24 171.16 2wwx n PRO 450 N -3.31 1.32 -0.83 4.02 -0.02 -1.26 -1.83 135.00 133.09 2wwx n PRO 450 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2wwx n PRO 450 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2wwx n PRO 450 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wwx n ASN 451 N 2.40 -2.27 -4.72 2.55 3.02 -1.26 -4.98 115.26 110.01 2wwx n ASN 451 Ca 0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 2wwx n ASN 451 Cb 0.23 -1.93 -0.03 0.00 -0.61 0.00 0.00 39.78 37.44 2wwx n ASN 451 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2wwx s GLU 452 N -0.91 4.27 0.26 3.52 2.12 -0.76 -4.98 118.70 122.22 2wwx s GLU 452 Ca 0.00 2.21 -0.21 0.00 0.36 0.00 0.00 54.97 57.33 2wwx s GLU 452 Cb 0.00 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.10 2wwx s GLU 452 CO 0.00 -0.52 0.78 1.03 -0.54 0.00 0.00 175.26 176.02 2wwx s ARG 453 N 1.10 4.32 0.68 4.30 1.81 -1.26 -4.91 118.95 124.99 2wwx s ARG 453 Ca 0.67 0.98 -0.15 0.00 -1.72 0.00 0.00 55.73 55.50 2wwx s ARG 453 Cb -0.40 -2.82 0.01 0.00 -0.45 0.00 0.00 34.95 31.29 2wwx s ARG 453 CO 0.31 0.34 1.14 0.00 -0.68 0.00 0.00 175.30 176.41 2wwx s ALA 454 N -1.59 2.36 -0.61 2.13 0.00 -1.26 -5.02 121.76 117.78 2wwx s ALA 454 Ca 0.46 0.68 0.06 0.00 0.00 0.00 0.00 51.96 53.16 2wwx s ALA 454 Cb -0.17 -3.37 0.27 0.00 0.00 0.00 0.00 23.12 19.85 2wwx s ALA 454 CO 0.21 -1.45 0.76 0.25 0.00 0.00 0.00 175.76 175.54 2wwx n THR 455 N -2.44 2.19 -2.17 0.00 -2.24 -1.26 -5.10 114.28 103.26 2wwx n THR 455 Ca 0.11 -5.17 -0.38 0.00 -2.27 0.00 0.00 64.05 56.34 2wwx n THR 455 Cb 0.51 -1.95 -0.00 0.00 -2.10 0.00 0.00 70.33 66.79 2wwx n THR 455 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2wwx s PRO 456 N -2.53 3.75 -0.22 -0.78 0.04 -1.26 -4.22 135.00 129.78 2wwx s PRO 456 Ca 0.41 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 2wwx s PRO 456 Cb 0.17 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2wwx s PRO 456 CO -0.04 -0.59 1.78 0.34 0.04 0.00 0.00 177.00 178.53 2wwx s ASP 457 N -1.19 6.14 0.31 6.66 -1.08 -0.43 -4.87 116.67 122.21 2wwx s ASP 457 Ca 0.63 1.68 0.25 0.00 -0.52 0.00 0.00 52.55 54.59 2wwx s ASP 457 Cb -0.32 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 39.68 2wwx s ASP 457 CO 0.39 -1.45 1.76 1.55 0.52 0.00 0.00 175.17 177.94 2wwx h PRO 458 N 11.85 0.00 -0.00 4.34 0.13 -1.92 -2.83 132.00 143.56 2wwx h PRO 458 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2wwx h PRO 458 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wwx h PRO 458 CO 1.00 0.00 -0.69 -0.25 -0.23 0.00 0.00 178.00 177.83 2wwx n ASP 459 N -2.39 1.13 -4.55 1.44 9.92 -1.26 -4.85 116.55 115.99 2wwx n ASP 459 Ca 0.02 -0.94 -0.43 0.00 -0.53 0.00 0.00 54.79 52.91 2wwx n ASP 459 Cb 0.23 0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 41.29 2wwx n ASP 459 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2wwx s PHE 460 N -2.82 2.89 -0.10 1.24 5.36 -1.07 -5.02 117.98 118.46 2wwx s PHE 460 Ca 0.13 0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.29 2wwx s PHE 460 Cb 0.17 -3.96 -0.04 0.00 -0.34 0.00 0.00 43.02 38.86 2wwx s PHE 460 CO 0.73 -1.16 0.04 0.15 -1.46 0.00 0.00 175.22 173.51 2wwx s LYS 461 N 3.75 3.19 0.03 10.12 1.02 -1.26 -4.84 119.74 131.74 2wwx s LYS 461 Ca 0.34 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 56.06 2wwx s LYS 461 Cb -0.11 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 2wwx s LYS 461 CO 0.24 0.67 -0.23 0.08 -0.92 0.00 0.00 175.35 175.19 2wwx s VAL 462 N -0.76 2.42 0.19 3.17 1.01 -1.26 -5.11 120.40 120.05 2wwx s VAL 462 Ca 0.12 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 2wwx s VAL 462 Cb -0.12 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.21 2wwx s VAL 462 CO 0.02 0.41 1.48 -0.83 0.00 0.00 0.00 175.10 176.18 2wwx s GLY 463 N -1.18 1.95 0.31 4.51 0.00 -1.26 -4.91 107.32 106.75 2wwx s GLY 463 Ca 0.12 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.16 2wwx s GLY 463 CO 0.03 2.43 1.92 1.70 0.00 0.00 0.00 173.10 179.17 2wwx h LYS 464 N 6.07 0.95 -0.60 2.90 3.64 -1.99 -1.42 116.57 126.13 2wwx h LYS 464 Ca -0.44 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2wwx h LYS 464 Cb 1.21 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2wwx h LYS 464 CO 0.85 0.63 0.25 0.66 -2.27 0.00 0.00 179.45 179.57 2wwx h SER 465 N 0.98 0.78 -0.36 4.20 4.64 -1.99 -0.12 113.55 121.68 2wwx h SER 465 Ca 0.38 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 2wwx h SER 465 Cb 0.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2wwx h SER 465 CO -0.14 0.69 -0.13 0.11 -0.87 0.00 0.00 176.83 176.49 2wwx h LYS 466 N 0.85 0.72 -0.36 4.77 1.79 -1.69 -2.23 116.57 120.41 2wwx h LYS 466 Ca 0.21 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2wwx h LYS 466 Cb 0.14 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2wwx h LYS 466 CO -0.02 0.89 0.20 0.82 -1.08 0.00 0.00 179.45 180.26 2wwx h ILE 467 N 0.51 1.15 -0.52 1.86 1.08 -0.91 -1.61 117.51 119.07 2wwx h ILE 467 Ca 0.09 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2wwx h ILE 467 Cb 0.66 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2wwx h ILE 467 CO 0.04 0.15 0.30 -0.07 -0.69 0.00 0.00 178.15 177.89 2wwx h LEU 468 N 0.46 0.64 -0.67 1.44 3.38 -1.01 -0.54 115.31 119.01 2wwx h LEU 468 Ca 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wwx h LEU 468 Cb 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2wwx h LEU 468 CO -0.02 0.53 0.41 0.58 0.09 0.00 0.00 178.44 180.02 2wwx h VAL 469 N 0.70 1.19 -0.38 1.22 2.07 -1.28 -0.50 116.25 119.27 2wwx h VAL 469 Ca 0.19 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2wwx h VAL 469 Cb 0.01 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 2wwx h VAL 469 CO -0.03 0.20 0.11 1.23 0.02 0.00 0.00 177.57 179.10 2wwx h GLY 470 N 0.92 0.47 0.82 2.17 0.00 -0.79 0.11 103.07 106.77 2wwx h GLY 470 Ca 0.24 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.54 2wwx h GLY 470 CO -0.05 0.00 0.03 -2.22 0.00 0.00 0.00 176.54 174.30 2wwx h ILE 471 N 0.25 0.93 -0.92 2.60 2.04 -0.71 -1.85 117.51 119.86 2wwx h ILE 471 Ca 0.18 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 2wwx h ILE 471 Cb 0.18 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2wwx h ILE 471 CO -0.21 0.02 0.51 0.24 0.00 0.00 0.00 178.15 178.71 2wwx h MET 472 N 0.09 1.27 -0.63 2.37 2.86 -0.73 0.21 114.93 120.38 2wwx h MET 472 Ca 0.07 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2wwx h MET 472 Cb 0.07 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 2wwx h MET 472 CO -0.10 0.92 0.26 1.96 1.06 0.00 0.00 176.91 181.01 2wwx h GLN 473 N 1.28 0.94 -0.34 1.72 4.20 -0.63 0.14 115.11 122.42 2wwx h GLN 473 Ca 0.32 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 2wwx h GLN 473 Cb 0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2wwx h GLN 473 CO -0.05 0.79 0.02 0.35 -0.67 0.00 0.00 178.83 179.26 2wwx h PHE 474 N 0.88 0.64 -0.84 2.96 3.57 -0.93 -1.97 116.94 121.26 2wwx h PHE 474 Ca 0.21 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2wwx h PHE 474 Cb 0.19 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 2wwx h PHE 474 CO 0.01 0.69 0.53 0.82 -2.23 0.00 0.00 178.31 178.13 2wwx h ILE 475 N 0.41 1.09 -0.68 1.41 2.04 -0.81 -1.47 117.51 119.50 2wwx h ILE 475 Ca 0.10 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.68 2wwx h ILE 475 Cb 0.42 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 2wwx h ILE 475 CO 0.01 0.18 0.38 0.50 0.00 0.00 0.00 178.15 179.22 2wwx h LYS 476 N 1.00 0.67 -0.60 2.37 3.64 -0.74 0.84 116.57 123.75 2wwx h LYS 476 Ca 0.35 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2wwx h LYS 476 Cb 0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2wwx h LYS 476 CO -0.14 0.44 0.08 -0.44 -2.27 0.00 0.00 179.45 177.12 2wwx h ASP 477 N 0.69 0.93 0.03 4.20 3.32 -0.53 -3.30 116.42 121.76 2wwx h ASP 477 Ca 0.31 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2wwx h ASP 477 Cb 0.21 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2wwx h ASP 477 CO -0.19 0.94 -1.44 1.33 -1.72 0.00 0.00 179.24 178.16 2wwx n VAL 478 N -4.22 0.01 -1.88 -1.35 0.24 -0.65 -4.95 118.33 105.54 2wwx n VAL 478 Ca 0.04 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.34 61.71 2wwx n VAL 478 Cb 0.28 0.50 0.02 0.00 -1.47 0.00 0.00 33.84 33.18 2wwx n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wwx s ALA 479 N -3.24 3.12 0.36 2.33 0.00 0.26 -4.95 121.76 119.63 2wwx s ALA 479 Ca 0.01 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 2wwx s ALA 479 Cb 0.15 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 2wwx s ALA 479 CO 0.88 -1.12 1.44 -0.51 0.00 0.00 0.00 175.76 176.46 2wwx s ASP 480 N -0.73 6.46 0.60 0.00 1.01 -1.26 -4.89 116.67 117.86 2wwx s ASP 480 Ca 0.63 2.95 0.29 0.00 0.71 0.00 0.00 52.55 57.13 2wwx s ASP 480 Cb -0.41 -2.66 1.61 0.00 1.01 0.00 0.00 42.92 42.47 2wwx s ASP 480 CO 0.51 -0.79 2.01 -0.65 0.21 0.00 0.00 175.17 176.46 2wwx h PRO 481 N 3.21 0.00 -0.01 8.23 0.11 -1.95 -0.99 132.00 140.59 2wwx h PRO 481 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wwx h PRO 481 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wwx h PRO 481 CO 0.65 0.00 -0.15 0.25 -0.21 0.00 0.00 178.00 178.54 2wwx n THR 482 N -3.63 0.00 -1.90 -1.15 -2.24 -1.26 -4.90 114.28 99.21 2wwx n THR 482 Ca 0.03 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 2wwx n THR 482 Cb 0.45 0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 69.33 2wwx n THR 482 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wwx s SER 483 N -2.25 6.41 0.01 3.42 0.15 -0.38 -4.93 113.70 116.12 2wwx s SER 483 Ca 0.29 2.93 0.04 0.00 0.70 0.00 0.00 55.95 59.91 2wwx s SER 483 Cb 0.20 -2.66 -0.01 0.00 -1.71 0.00 0.00 66.02 61.83 2wwx s SER 483 CO 0.43 -0.81 -0.13 -0.54 1.20 0.00 0.00 173.24 173.39 2wwx s LYS 484 N -2.06 0.99 -0.32 5.44 1.02 -1.26 -0.67 119.74 122.89 2wwx s LYS 484 Ca 0.53 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.88 2wwx s LYS 484 Cb -0.44 -0.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.92 2wwx s LYS 484 CO 0.59 0.26 0.11 0.42 -0.92 0.00 0.00 175.35 175.81 2wwx s ILE 485 N -0.49 4.03 0.00 2.17 1.01 0.10 -4.80 121.20 123.22 2wwx s ILE 485 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2wwx s ILE 485 Cb -0.06 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2wwx s ILE 485 CO 0.00 -0.05 0.00 1.87 0.00 0.00 0.00 174.94 176.76 2wwx n TRP 486 N 4.87 0.00 1.06 3.97 -0.00 -1.26 -1.63 117.44 124.46 2wwx n TRP 486 Ca -0.13 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.48 2wwx n TRP 486 Cb 0.47 0.00 0.34 0.00 -0.00 0.00 0.00 31.31 32.12 2wwx n TRP 486 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 2wwx n MET 487 N 14.00 1.91 -4.43 5.87 2.81 -1.26 -4.90 117.12 131.12 2wwx n MET 487 Ca 0.00 -1.37 -0.33 0.00 -1.81 0.00 0.00 57.70 54.19 2wwx n MET 487 Cb 0.00 -1.43 -0.10 0.00 -0.71 0.00 0.00 33.22 30.98 2wwx n MET 487 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2wwx s HIS 488 N -1.77 3.02 0.22 2.03 3.76 -0.65 -4.55 115.29 117.36 2wwx s HIS 488 Ca 0.34 0.07 -0.32 0.00 -0.15 0.00 0.00 55.06 55.00 2wwx s HIS 488 Cb 0.19 -1.70 -0.14 0.00 1.11 0.00 0.00 32.58 32.04 2wwx s HIS 488 CO 0.28 0.41 1.41 -1.71 -0.85 0.00 0.00 174.74 174.28 2wwx n ASN 489 N 1.83 2.64 0.01 1.40 2.85 -0.29 -0.72 115.26 122.98 2wwx n ASN 489 Ca -0.17 1.13 -0.12 0.00 -0.11 0.00 0.00 54.58 55.32 2wwx n ASN 489 Cb 0.53 -1.40 -0.07 0.00 1.24 0.00 0.00 39.78 40.08 2wwx n ASN 489 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2wwx h THR 490 N 3.10 1.10 -0.59 -0.44 2.02 -1.21 0.49 112.91 117.38 2wwx h THR 490 Ca -0.45 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 66.50 2wwx h THR 490 Cb 1.28 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 2wwx h THR 490 CO 0.77 0.08 0.33 0.11 0.37 0.00 0.00 175.52 177.18 2wwx h LYS 491 N -0.05 0.61 -0.41 6.66 1.57 -1.87 -0.12 116.57 122.96 2wwx h LYS 491 Ca 0.01 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2wwx h LYS 491 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2wwx h LYS 491 CO -0.00 0.40 -0.14 0.00 -0.57 0.00 0.00 179.45 179.15 2wwx h ALA 492 N 1.30 0.99 -0.35 3.86 0.00 -1.80 -1.61 119.26 121.66 2wwx h ALA 492 Ca 0.26 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2wwx h ALA 492 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wwx h ALA 492 CO -0.15 0.60 -0.28 1.25 0.00 0.00 0.00 179.25 180.67 2wwx h LEU 493 N 0.67 0.74 -0.33 0.00 5.85 -0.44 -0.89 115.31 120.92 2wwx h LEU 493 Ca 0.11 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2wwx h LEU 493 Cb 0.61 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2wwx h LEU 493 CO 0.04 0.98 0.15 0.24 -0.34 0.00 0.00 178.44 179.51 2wwx h MET 494 N 0.62 0.31 -0.95 1.25 2.86 -0.64 0.44 114.93 118.82 2wwx h MET 494 Ca 0.08 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2wwx h MET 494 Cb 0.78 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 2wwx h MET 494 CO 0.06 0.20 0.61 -0.91 1.06 0.00 0.00 176.91 177.94 2wwx h ASN 495 N 0.31 1.02 -0.37 1.22 -0.26 -1.04 0.18 115.58 116.64 2wwx h ASN 495 Ca 0.14 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2wwx h ASN 495 Cb 0.07 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 2wwx h ASN 495 CO -0.11 0.69 0.16 -0.74 -1.06 0.00 0.00 177.43 176.36 2wwx h HIS 496 N 1.18 0.55 -0.19 1.19 2.76 -0.62 -1.36 115.15 118.66 2wwx h HIS 496 Ca 0.38 -0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.36 2wwx h HIS 496 Cb 0.03 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2wwx h HIS 496 CO -0.01 0.49 -0.54 0.87 -1.30 0.00 0.00 177.93 177.44 2wwx h LYS 497 N 0.45 0.55 -0.31 5.26 1.57 -0.55 -1.15 116.57 122.39 2wwx h LYS 497 Ca 0.12 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2wwx h LYS 497 Cb 0.17 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2wwx h LYS 497 CO -0.01 0.95 0.13 0.82 -0.57 0.00 0.00 179.45 180.77 2wwx h ILE 498 N 0.42 0.96 -0.84 1.86 2.04 -0.88 -0.38 117.51 120.69 2wwx h ILE 498 Ca 0.01 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2wwx h ILE 498 Cb 1.08 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2wwx h ILE 498 CO 0.10 0.05 0.41 0.00 0.00 0.00 0.00 178.15 178.71 2wwx h ALA 499 N 1.18 1.09 -0.47 1.87 0.00 -1.06 -0.51 119.26 121.35 2wwx h ALA 499 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wwx h ALA 499 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wwx h ALA 499 CO -0.11 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.06 2wwx h ALA 500 N 1.22 0.60 -0.67 0.00 0.00 -0.75 -0.14 119.26 119.52 2wwx h ALA 500 Ca 0.29 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2wwx h ALA 500 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2wwx h ALA 500 CO -0.04 0.11 0.20 0.82 0.00 0.00 0.00 179.25 180.34 2wwx h ILE 501 N 0.62 1.25 -0.37 0.00 2.04 -0.74 -1.74 117.51 118.59 2wwx h ILE 501 Ca 0.17 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 2wwx h ILE 501 Cb 0.03 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2wwx h ILE 501 CO -0.03 0.34 0.01 1.56 0.00 0.00 0.00 178.15 180.03 2wwx h GLN 502 N 0.97 0.57 -0.44 2.37 4.20 -0.68 -1.20 115.11 120.90 2wwx h GLN 502 Ca 0.21 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2wwx h GLN 502 Cb 0.31 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2wwx h GLN 502 CO -0.01 0.59 -0.05 0.87 -0.67 0.00 0.00 178.83 179.56 2wwx h LYS 503 N 0.55 0.75 -0.61 1.46 1.57 -0.69 -0.07 116.57 119.53 2wwx h LYS 503 Ca 0.12 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2wwx h LYS 503 Cb 0.34 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2wwx h LYS 503 CO 0.01 0.80 0.32 -0.07 -0.57 0.00 0.00 179.45 179.94 2wwx h LEU 504 N 0.70 0.77 -0.50 2.94 3.38 -0.65 -2.33 115.31 119.62 2wwx h LEU 504 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2wwx h LEU 504 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2wwx h LEU 504 CO 0.03 0.65 0.22 -0.33 0.09 0.00 0.00 178.44 179.10 2wwx h GLU 505 N 0.83 0.73 -0.12 1.13 5.08 -0.82 0.11 114.58 121.52 2wwx h GLU 505 Ca 0.21 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2wwx h GLU 505 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2wwx h GLU 505 CO -0.03 0.63 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.45 2wwx h ARG 506 N 0.66 0.17 -0.72 2.33 2.43 -0.84 -2.51 114.38 115.91 2wwx h ARG 506 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2wwx h ARG 506 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2wwx h ARG 506 CO -0.02 0.25 0.00 -1.13 -1.51 0.00 0.00 179.97 177.56 2wwx n SER 507 N -4.37 4.21 -3.69 -3.80 3.41 -0.89 -4.95 113.62 103.54 2wwx n SER 507 Ca -0.01 -2.14 -0.27 0.00 -0.26 0.00 0.00 58.87 56.19 2wwx n SER 507 Cb 0.20 -0.52 0.05 0.00 -0.26 0.00 0.00 64.21 63.67 2wwx n SER 507 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wwx n ASN 508 N 1.51 -5.55 -0.80 4.04 3.02 -0.94 -4.92 115.26 111.62 2wwx n ASN 508 Ca 0.25 -0.63 0.03 0.00 -0.03 0.00 0.00 54.58 54.21 2wwx n ASN 508 Cb 0.71 -4.40 0.18 0.00 -0.61 0.00 0.00 39.78 35.66 2wwx n ASN 508 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wwx n ASN 509 N -2.86 1.96 -4.62 6.41 5.15 0.35 -5.00 115.26 116.65 2wwx n ASN 509 Ca 0.02 -3.77 -0.40 0.00 -0.60 0.00 0.00 54.58 49.82 2wwx n ASN 509 Cb 0.55 -0.50 -0.07 0.00 -0.53 0.00 0.00 39.78 39.23 2wwx n ASN 509 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wwx s VAL 510 N -3.18 5.00 0.26 3.44 1.01 -1.25 -4.78 120.40 120.91 2wwx s VAL 510 Ca 0.39 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 2wwx s VAL 510 Cb 0.37 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2wwx s VAL 510 CO -0.07 0.04 0.50 0.54 0.00 0.00 0.00 175.10 176.11 2wwx s ASN 511 N 1.48 -0.02 0.46 3.32 2.20 -1.26 -5.03 114.94 116.10 2wwx s ASN 511 Ca 0.25 -0.97 0.16 0.00 -0.94 0.00 0.00 52.86 51.36 2wwx s ASN 511 Cb -0.16 0.61 1.11 0.00 -2.00 0.00 0.00 41.25 40.81 2wwx s ASN 511 CO 0.09 -1.18 1.99 0.44 -2.94 0.00 0.00 177.10 175.50 2wwx h ASP 512 N 2.23 0.28 -0.05 3.54 3.32 -1.99 -0.33 116.42 123.42 2wwx h ASP 512 Ca -0.26 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 2wwx h ASP 512 Cb 1.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2wwx h ASP 512 CO 0.35 0.17 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.78 2wwx h GLU 513 N 0.31 0.21 -0.29 3.56 4.81 -1.97 -0.52 114.58 120.68 2wwx h GLU 513 Ca 0.26 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2wwx h GLU 513 Cb 0.60 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2wwx h GLU 513 CO -0.06 0.79 -0.25 1.79 -0.73 0.00 0.00 179.01 180.55 2wwx h THR 514 N -0.33 1.27 -0.10 0.32 1.35 -1.75 -1.65 112.91 112.02 2wwx h THR 514 Ca -0.01 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.53 2wwx h THR 514 Cb 0.82 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2wwx h THR 514 CO 0.04 0.42 0.02 -0.07 -0.25 0.00 0.00 175.52 175.68 2wwx h LEU 515 N 0.50 0.16 -1.20 3.87 3.38 -1.12 -3.02 115.31 117.88 2wwx h LEU 515 Ca 0.07 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 57.94 2wwx h LEU 515 Cb 0.70 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 2wwx h LEU 515 CO 0.05 0.37 0.59 -0.08 0.09 0.00 0.00 178.44 179.46 2wwx h GLU 516 N -0.05 0.75 -0.66 1.13 4.57 -0.90 -0.45 114.58 118.98 2wwx h GLU 516 Ca 0.03 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2wwx h GLU 516 Cb 0.27 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2wwx h GLU 516 CO 0.00 0.50 0.31 0.77 -1.18 0.00 0.00 179.01 179.40 2wwx h SER 517 N 0.77 0.85 -0.11 1.04 0.02 -1.19 0.09 113.55 115.01 2wwx h SER 517 Ca 0.47 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.28 2wwx h SER 517 Cb 0.68 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2wwx h SER 517 CO -0.23 0.73 -0.10 0.58 -1.14 0.00 0.00 176.83 176.66 2wwx h VAL 518 N 0.93 1.35 -0.70 2.27 2.07 -1.13 -2.88 116.25 118.15 2wwx h VAL 518 Ca 0.23 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 2wwx h VAL 518 Cb 0.11 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2wwx h VAL 518 CO -0.03 0.36 0.37 -0.07 0.02 0.00 0.00 177.57 178.22 2wwx h LEU 519 N -0.12 0.88 0.00 2.57 3.38 -0.70 -2.58 115.31 118.74 2wwx h LEU 519 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wwx h LEU 519 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wwx h LEU 519 CO 0.03 0.72 -0.28 -1.54 0.09 0.00 0.00 178.44 177.46 2wwx n SER 520 N -4.35 0.33 -4.76 -0.43 3.41 -0.02 -3.89 113.62 103.90 2wwx n SER 520 Ca 0.07 0.13 -0.41 0.00 -0.26 0.00 0.00 58.87 58.40 2wwx n SER 520 Cb 0.11 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2wwx n SER 520 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wwx s SER 521 N -3.18 6.87 -0.18 4.04 0.15 -0.98 -4.88 113.70 115.54 2wwx s SER 521 Ca 0.12 2.59 0.17 0.00 0.70 0.00 0.00 55.95 59.53 2wwx s SER 521 Cb 0.17 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 62.32 2wwx s SER 521 CO 0.63 -0.47 1.37 0.29 1.20 0.00 0.00 173.24 176.26 2wwx n LYS 522 N 1.05 2.48 -3.54 5.44 4.76 -1.26 -4.97 118.16 122.12 2wwx n LYS 522 Ca 0.00 -2.82 -0.25 0.00 -2.87 0.00 0.00 58.31 52.38 2wwx n LYS 522 Cb 0.42 -1.77 0.06 0.00 -1.84 0.00 0.00 35.03 31.90 2wwx n LYS 522 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wwx n GLY 523 N -0.76 -0.53 0.13 0.72 0.00 -1.26 -4.82 105.19 98.66 2wwx n GLY 523 Ca 0.21 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.57 2wwx n GLY 523 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wwx h GLU 524 N -2.27 0.00 -0.19 1.61 5.08 -1.99 -2.76 114.58 114.07 2wwx h GLU 524 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2wwx h GLU 524 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2wwx h GLU 524 CO 0.58 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 2wwx n ASN 525 N -2.32 2.80 -4.77 1.42 4.13 -1.26 -4.99 115.26 110.27 2wwx n ASN 525 Ca 0.03 -1.82 -0.39 0.00 1.68 0.00 0.00 54.58 54.08 2wwx n ASN 525 Cb 0.32 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.41 2wwx n ASN 525 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wwx s LEU 526 N -1.34 4.40 0.41 3.41 1.43 -1.04 -4.94 118.68 121.01 2wwx s LEU 526 Ca 0.26 2.31 0.28 0.00 -1.03 0.00 0.00 54.13 55.95 2wwx s LEU 526 Cb 0.16 -3.79 1.01 0.00 0.03 0.00 0.00 46.19 43.60 2wwx s LEU 526 CO 0.23 -0.36 1.82 0.77 0.23 0.00 0.00 176.35 179.04 2wwx h SER 527 N 3.32 0.00 -4.72 2.29 4.64 -1.94 -3.44 113.55 113.70 2wwx h SER 527 Ca -0.48 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.59 2wwx h SER 527 Cb 1.22 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.09 2wwx h SER 527 CO 0.65 0.00 -0.73 -0.70 -0.87 0.00 0.00 176.83 175.18 2wwx s GLU 528 N -3.42 0.46 0.12 4.77 2.56 -1.26 -5.13 118.70 116.80 2wwx s GLU 528 Ca 0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 54.97 54.04 2wwx s GLU 528 Cb 0.09 -0.21 -0.07 0.00 2.00 0.00 0.00 34.13 35.94 2wwx s GLU 528 CO 0.53 0.03 1.21 0.71 -0.56 0.00 0.00 175.26 177.18 2wwx s TYR 529 N -1.26 3.43 0.19 5.30 2.02 -1.26 -4.99 117.35 120.77 2wwx s TYR 529 Ca -0.10 1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 57.64 2wwx s TYR 529 Cb -0.09 -3.44 -0.08 0.00 -0.40 0.00 0.00 41.96 37.96 2wwx s TYR 529 CO 0.00 -1.29 1.04 -0.51 -1.57 0.00 0.00 175.55 173.22 2wwx s LEU 530 N 0.43 4.53 0.23 -1.29 1.43 -1.26 -4.97 118.68 117.77 2wwx s LEU 530 Ca 0.56 2.03 0.09 0.00 -1.03 0.00 0.00 54.13 55.78 2wwx s LEU 530 Cb -0.31 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 2wwx s LEU 530 CO 0.33 -0.11 -0.16 -0.94 0.23 0.00 0.00 176.35 175.69 2wwx s SER 531 N -0.37 2.86 -0.18 2.29 1.04 -1.26 -1.14 113.70 116.94 2wwx s SER 531 Ca 0.47 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 2wwx s SER 531 Cb -0.28 -0.18 -0.21 0.00 0.10 0.00 0.00 66.02 65.44 2wwx s SER 531 CO 0.34 -0.11 0.16 0.00 0.98 0.00 0.00 173.24 174.60 2wwx n TYR 532 N -0.45 0.87 -0.82 5.02 9.36 -1.26 -4.76 117.16 125.12 2wwx n TYR 532 Ca -0.07 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.39 2wwx n TYR 532 Cb 0.60 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 38.21 2wwx n TYR 532 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71