#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 h THR 341 N 0.00 0.12 0.00 0.00 1.35 -2.08 -3.41 112.91 108.89 2ka4 h THR 341 Ca 0.00 -0.76 -0.10 0.00 -0.55 0.00 0.00 66.41 64.99 2ka4 h THR 341 Cb 0.00 1.68 -0.10 0.00 -1.73 0.00 0.00 68.15 68.00 2ka4 h THR 341 CO 0.00 0.05 0.10 0.61 -0.25 0.00 0.00 175.52 176.04 2ka4 n GLY 342 N 0.30 -0.80 0.29 5.82 0.00 -1.26 -5.03 105.19 104.50 2ka4 n GLY 342 Ca 0.01 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.43 2ka4 n GLY 342 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka4 h PRO 343 N 1.58 0.00 0.00 1.61 0.13 -2.00 -2.09 132.00 131.23 2ka4 h PRO 343 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ka4 h PRO 343 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ka4 h PRO 343 CO -0.13 0.04 0.00 0.25 -0.23 0.00 0.00 178.00 177.93 2ka4 n THR 344 N -3.81 1.18 -0.59 1.56 -2.24 -1.26 -2.93 114.28 106.18 2ka4 n THR 344 Ca -0.03 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2ka4 n THR 344 Cb 0.13 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 2ka4 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka4 n ALA 345 N -1.58 1.39 -1.37 6.98 0.00 -0.81 -5.09 120.51 120.02 2ka4 n ALA 345 Ca 0.02 -0.68 -0.52 0.00 0.00 0.00 0.00 53.44 52.27 2ka4 n ALA 345 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 2ka4 n ALA 345 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ka4 n ASP 346 N -0.19 0.95 -0.30 0.00 -0.08 -1.06 -4.86 116.55 111.00 2ka4 n ASP 346 Ca 0.00 0.43 0.11 0.00 -1.51 0.00 0.00 54.79 53.81 2ka4 n ASP 346 Cb 0.39 -1.01 0.34 0.00 2.34 0.00 0.00 41.12 43.18 2ka4 n ASP 346 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ka4 h PRO 347 N 11.03 0.75 -0.22 -0.67 0.11 -1.94 -0.48 132.00 140.59 2ka4 h PRO 347 Ca -0.12 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.85 2ka4 h PRO 347 Cb 1.36 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ka4 h PRO 347 CO 1.17 0.50 -0.23 1.49 -0.21 0.00 0.00 178.00 180.72 2ka4 h GLU 348 N 0.78 0.54 -0.24 1.05 4.57 -1.99 -0.38 114.58 118.91 2ka4 h GLU 348 Ca 0.48 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2ka4 h GLU 348 Cb 0.69 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2ka4 h GLU 348 CO -0.24 0.88 0.04 -0.22 -1.18 0.00 0.00 179.01 178.29 2ka4 h LYS 349 N 0.23 0.40 -0.64 1.92 3.64 -1.88 -1.55 116.57 118.69 2ka4 h LYS 349 Ca 0.03 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2ka4 h LYS 349 Cb 0.78 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 2ka4 h LYS 349 CO 0.06 0.52 0.22 -0.09 -2.27 0.00 0.00 179.45 177.88 2ka4 h ARG 350 N 0.21 0.37 -0.63 1.90 2.43 -1.08 -1.11 114.38 116.46 2ka4 h ARG 350 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2ka4 h ARG 350 Cb 0.31 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2ka4 h ARG 350 CO 0.00 0.24 0.34 -0.22 -1.51 0.00 0.00 179.97 178.83 2ka4 h LYS 351 N 0.38 0.87 -0.18 0.20 3.64 -0.90 -2.79 116.57 117.78 2ka4 h LYS 351 Ca 0.33 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2ka4 h LYS 351 Cb 0.46 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2ka4 h LYS 351 CO -0.35 0.66 0.10 -0.07 -2.27 0.00 0.00 179.45 177.52 2ka4 h LEU 352 N 0.85 0.17 -0.75 5.20 3.38 -0.16 0.69 115.31 124.69 2ka4 h LEU 352 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 2ka4 h LEU 352 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2ka4 h LEU 352 CO -0.04 0.12 0.03 0.16 0.09 0.00 0.00 178.44 178.81 2ka4 h ILE 353 N 0.22 1.26 -0.51 1.22 -2.65 -1.49 -1.99 117.51 113.56 2ka4 h ILE 353 Ca 0.07 -1.07 0.04 0.00 1.03 0.00 0.00 64.86 64.93 2ka4 h ILE 353 Cb -0.00 0.77 -0.04 0.00 -2.05 0.00 0.00 36.82 35.50 2ka4 h ILE 353 CO -0.04 0.39 0.28 1.56 0.03 0.00 0.00 178.15 180.37 2ka4 h GLN 354 N 0.91 0.53 -0.14 0.16 4.20 -1.20 -0.63 115.11 118.94 2ka4 h GLN 354 Ca 0.17 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2ka4 h GLN 354 Cb 0.49 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2ka4 h GLN 354 CO 0.02 0.35 0.05 1.96 -0.67 0.00 0.00 178.83 180.54 2ka4 h GLN 355 N 0.55 0.21 -0.43 1.46 4.20 -0.67 -1.59 115.11 118.84 2ka4 h GLN 355 Ca 0.22 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2ka4 h GLN 355 Cb 0.09 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2ka4 h GLN 355 CO -0.13 0.33 0.11 0.37 -0.67 0.00 0.00 178.83 178.84 2ka4 h GLN 356 N 0.06 0.68 -0.18 1.46 4.15 -1.25 -0.68 115.11 119.35 2ka4 h GLN 356 Ca 0.05 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.36 2ka4 h GLN 356 Cb 0.20 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 2ka4 h GLN 356 CO -0.00 0.68 -0.19 1.25 -1.93 0.00 0.00 178.83 178.64 2ka4 h LEU 357 N 0.55 -0.60 -0.74 -2.39 5.85 -1.04 -0.71 115.31 116.24 2ka4 h LEU 357 Ca 0.14 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 2ka4 h LEU 357 Cb 0.30 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2ka4 h LEU 357 CO -0.00 -0.24 0.03 0.58 -0.34 0.00 0.00 178.44 178.47 2ka4 h VAL 358 N -0.22 1.26 -0.93 1.05 2.07 -1.23 -1.92 116.25 116.34 2ka4 h VAL 358 Ca 0.11 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.56 2ka4 h VAL 358 Cb 0.39 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2ka4 h VAL 358 CO -0.30 0.39 0.61 -0.07 0.02 0.00 0.00 177.57 178.21 2ka4 h LEU 359 N 0.92 1.08 -0.30 2.57 3.38 -0.60 0.22 115.31 122.57 2ka4 h LEU 359 Ca 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2ka4 h LEU 359 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2ka4 h LEU 359 CO 0.02 0.79 0.02 -0.07 0.09 0.00 0.00 178.44 179.29 2ka4 h LEU 360 N 1.26 0.49 -0.51 1.67 3.38 -0.90 -0.51 115.31 120.20 2ka4 h LEU 360 Ca 0.34 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2ka4 h LEU 360 Cb -0.13 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 2ka4 h LEU 360 CO -0.07 0.66 0.23 -0.07 0.09 0.00 0.00 178.44 179.27 2ka4 h LEU 361 N 0.31 0.29 0.77 1.67 3.38 -0.88 0.68 115.31 121.53 2ka4 h LEU 361 Ca 0.09 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2ka4 h LEU 361 Cb 0.39 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2ka4 h LEU 361 CO 0.01 0.20 -0.37 -0.74 0.09 0.00 0.00 178.44 177.63 2ka4 h HIS 362 N 0.44 -0.96 -0.53 1.13 2.76 -0.86 -2.75 115.15 114.37 2ka4 h HIS 362 Ca 0.24 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.46 2ka4 h HIS 362 Cb 0.20 0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 2ka4 h HIS 362 CO -0.13 -0.60 0.36 0.00 -1.30 0.00 0.00 177.93 176.26 2ka4 h ALA 363 N -0.83 1.99 0.37 5.26 0.00 -0.84 0.11 119.26 125.33 2ka4 h ALA 363 Ca -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2ka4 h ALA 363 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ka4 h ALA 363 CO 0.17 -0.10 -0.18 1.25 0.00 0.00 0.00 179.25 180.39 2ka4 h HIS 364 N 0.39 -0.46 -0.78 0.00 6.17 -0.81 0.17 115.15 119.81 2ka4 h HIS 364 Ca 0.24 -0.01 0.12 0.00 0.71 0.00 0.00 60.37 61.43 2ka4 h HIS 364 Cb 0.44 0.15 -0.09 0.00 2.52 0.00 0.00 27.41 30.44 2ka4 h HIS 364 CO -0.00 -0.17 0.38 -0.22 0.71 0.00 0.00 177.93 178.64 2ka4 h LYS 365 N -0.73 0.57 -0.26 5.26 3.11 -1.12 -0.79 116.57 122.61 2ka4 h LYS 365 Ca -0.05 -0.03 -0.17 0.00 -2.81 0.00 0.00 60.65 57.59 2ka4 h LYS 365 Cb 0.51 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2ka4 h LYS 365 CO 0.08 0.38 -0.51 0.00 -2.81 0.00 0.00 179.45 176.59 2ka4 h GLN 367 N 0.58 0.65 -0.96 0.00 -0.00 -0.16 -2.53 115.11 112.68 2ka4 h GLN 367 Ca 0.02 -0.20 0.10 0.00 -0.00 0.00 0.00 58.65 58.57 2ka4 h GLN 367 Cb 1.08 -0.06 -0.07 0.00 0.00 0.00 0.00 27.48 28.43 2ka4 h GLN 367 CO 0.11 0.74 0.62 0.00 0.00 0.00 0.00 178.83 180.29 2ka4 h ARG 368 N 0.59 0.96 0.05 1.69 3.08 -0.93 -0.23 114.38 119.60 2ka4 h ARG 368 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ka4 h ARG 368 Cb 0.53 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2ka4 h ARG 368 CO 0.03 0.64 -0.03 0.00 -1.07 0.00 0.00 179.97 179.54 2ka4 h ARG 369 N 0.99 -0.07 -0.49 0.04 3.08 -1.28 -0.68 114.38 115.96 2ka4 h ARG 369 Ca 0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.42 2ka4 h ARG 369 Cb 0.39 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2ka4 h ARG 369 CO -0.21 -0.05 -0.03 0.93 -1.07 0.00 0.00 179.97 179.54 2ka4 h GLU 370 N -0.07 0.85 -0.18 0.04 5.08 -1.34 -1.01 114.58 117.94 2ka4 h GLU 370 Ca -0.01 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 57.92 2ka4 h GLU 370 Cb 0.06 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2ka4 h GLU 370 CO 0.01 0.87 -0.60 1.96 -1.00 0.00 0.00 179.01 180.25 2ka4 h GLN 371 N 0.78 0.73 -0.38 2.33 1.08 -0.98 -3.27 115.11 115.41 2ka4 h GLN 371 Ca 0.14 -0.54 -0.13 0.00 -1.45 0.00 0.00 58.65 56.67 2ka4 h GLN 371 Cb 0.52 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2ka4 h GLN 371 CO 0.03 1.16 -0.29 0.00 -0.95 0.00 0.00 178.83 178.78 2ka4 h ALA 372 N 0.57 0.78 -3.05 3.87 0.00 -1.07 -3.50 119.26 116.87 2ka4 h ALA 372 Ca -0.02 -0.40 0.35 0.00 0.00 0.00 0.00 54.91 54.83 2ka4 h ALA 372 Cb 1.22 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 2ka4 h ALA 372 CO 0.13 0.65 -0.63 0.27 0.00 0.00 0.00 179.25 179.66 2ka4 n ASN 373 N -4.08 -7.91 0.00 0.00 0.23 -0.39 -4.96 115.26 98.15 2ka4 n ASN 373 Ca -0.01 0.71 0.00 0.00 -0.53 0.00 0.00 54.58 54.75 2ka4 n ASN 373 Cb 0.48 -4.22 0.00 0.00 -2.08 0.00 0.00 39.78 33.95 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ka4 n GLY 374 N -4.01 3.28 0.21 4.83 0.00 -1.26 -4.77 105.19 103.48 2ka4 n GLY 374 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2ka4 n GLY 374 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka4 n GLU 375 N -1.85 0.77 -2.09 1.61 1.02 -1.26 -5.09 120.64 113.74 2ka4 n GLU 375 Ca 0.00 -1.40 -0.41 0.00 -0.02 0.00 0.00 57.16 55.32 2ka4 n GLU 375 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka4 s VAL 376 N -0.93 2.86 -0.17 2.62 1.01 -1.26 -4.95 120.40 119.59 2ka4 s VAL 376 Ca 0.09 0.72 0.16 0.00 0.00 0.00 0.00 61.98 62.95 2ka4 s VAL 376 Cb 0.08 -3.46 0.36 0.00 0.00 0.00 0.00 36.38 33.35 2ka4 s VAL 376 CO 0.01 0.12 1.22 -1.14 0.00 0.00 0.00 175.10 175.30 2ka4 n ARG 377 N 2.34 0.86 0.00 2.72 3.00 -1.26 -5.16 116.66 119.17 2ka4 n ARG 377 Ca 0.06 -2.02 0.00 0.00 -0.00 0.00 0.00 57.85 55.89 2ka4 n ARG 377 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.62 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ka4 n ALA 378 N -0.47 0.00 -2.42 5.13 0.00 -1.26 -5.03 120.51 116.46 2ka4 n ALA 378 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 2ka4 n ALA 378 Cb 0.88 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.26 2ka4 n ALA 378 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 n SER 380 N -1.25 0.00 -4.67 0.00 7.64 -1.26 -5.09 113.62 108.98 2ka4 n SER 380 Ca 0.05 -0.44 -0.42 0.00 1.01 0.00 0.00 58.87 59.07 2ka4 n SER 380 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2ka4 s LEU 381 N 0.00 4.33 0.32 -3.43 1.98 -1.26 -4.91 118.68 115.71 2ka4 s LEU 381 Ca 0.00 2.28 0.24 0.00 -2.89 0.00 0.00 54.13 53.76 2ka4 s LEU 381 Cb 0.00 -3.55 1.09 0.00 0.66 0.00 0.00 46.19 44.39 2ka4 s LEU 381 CO 0.00 -0.88 1.13 -2.65 -1.89 0.00 0.00 176.35 172.07 2ka4 n PRO 382 N 6.42 -0.03 -0.46 0.98 -0.02 -1.26 -2.04 135.00 138.59 2ka4 n PRO 382 Ca 0.16 0.91 0.05 0.00 -2.02 0.00 0.00 63.50 62.60 2ka4 n PRO 382 Cb 0.42 -1.80 0.08 0.00 -0.02 0.00 0.00 33.50 32.19 2ka4 n PRO 382 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ka4 n HIS 383 N -4.14 0.00 -0.05 6.00 8.25 -1.26 -4.87 115.22 119.15 2ka4 n HIS 383 Ca 0.29 -0.62 -0.08 0.00 -0.26 0.00 0.00 57.72 57.05 2ka4 n HIS 383 Cb 1.14 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 32.11 2ka4 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka4 h ARG 385 N -0.25 0.72 0.06 0.00 -0.00 -1.89 -0.30 114.38 112.72 2ka4 h ARG 385 Ca 0.14 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 60.07 2ka4 h ARG 385 Cb 0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 29.97 30.27 2ka4 h ARG 385 CO -0.39 0.48 -0.03 1.15 -0.00 0.00 0.00 179.97 181.17 2ka4 h THR 386 N 0.74 1.13 -0.58 0.08 2.02 -1.71 -2.02 112.91 112.57 2ka4 h THR 386 Ca 0.20 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 2ka4 h THR 386 Cb -0.08 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2ka4 h THR 386 CO -0.04 0.17 0.22 0.24 0.37 0.00 0.00 175.52 176.47 2ka4 h MET 387 N -0.39 0.88 -0.80 6.66 2.86 -1.11 -2.22 114.93 120.81 2ka4 h MET 387 Ca -0.01 -0.17 0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2ka4 h MET 387 Cb 0.34 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 2ka4 h MET 387 CO 0.01 0.77 0.49 0.87 1.06 0.00 0.00 176.91 180.11 2ka4 h LYS 388 N 0.81 0.88 -0.50 1.72 1.57 -1.00 0.17 116.57 120.22 2ka4 h LYS 388 Ca 0.19 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2ka4 h LYS 388 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2ka4 h LYS 388 CO -0.01 0.58 0.17 -0.91 -0.57 0.00 0.00 179.45 178.71 2ka4 h ASN 389 N 0.90 0.72 -0.60 0.86 2.35 -1.16 -0.49 115.58 118.16 2ka4 h ASN 389 Ca 0.35 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 2ka4 h ASN 389 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2ka4 h ASN 389 CO -0.17 0.72 0.11 0.58 -1.65 0.00 0.00 177.43 177.03 2ka4 h VAL 390 N 0.67 1.26 -0.19 2.81 2.07 -0.76 -1.30 116.25 120.82 2ka4 h VAL 390 Ca 0.16 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 2ka4 h VAL 390 Cb 0.25 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2ka4 h VAL 390 CO -0.01 0.36 -0.08 -0.07 0.02 0.00 0.00 177.57 177.79 2ka4 h LEU 391 N 0.88 0.39 -0.82 2.57 3.38 -0.58 0.29 115.31 121.43 2ka4 h LEU 391 Ca 0.18 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2ka4 h LEU 391 Cb 0.40 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2ka4 h LEU 391 CO 0.01 0.71 0.49 0.78 0.09 0.00 0.00 178.44 180.51 2ka4 h ASN 392 N 0.07 0.99 0.07 -0.43 2.35 -1.08 -1.20 115.58 116.35 2ka4 h ASN 392 Ca 0.04 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2ka4 h ASN 392 Cb 0.56 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2ka4 h ASN 392 CO 0.03 0.77 -0.03 -0.74 -1.65 0.00 0.00 177.43 175.80 2ka4 h HIS 393 N 1.13 -0.09 -0.88 1.19 -0.00 -1.06 -2.75 115.15 112.69 2ka4 h HIS 393 Ca 0.29 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.84 2ka4 h HIS 393 Cb -0.03 0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 27.34 2ka4 h HIS 393 CO -0.00 -0.05 0.57 0.52 -0.00 0.00 0.00 177.93 178.97 2ka4 h MET 394 N -0.09 0.49 0.00 5.26 2.86 -0.58 0.48 114.93 123.35 2ka4 h MET 394 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2ka4 h MET 394 Cb 0.07 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2ka4 h MET 394 CO 0.01 0.33 0.00 2.41 1.06 0.00 0.00 176.91 180.72 2ka4 n THR 395 N -4.53 0.06 0.00 2.22 -1.04 -0.48 -3.16 114.28 107.35 2ka4 n THR 395 Ca 0.18 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2ka4 n THR 395 Cb 0.60 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2ka4 n THR 395 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2ka4 n HIS 396 N -1.04 0.00 -0.90 -1.42 8.25 -0.14 -5.09 115.22 114.88 2ka4 n HIS 396 Ca 0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 2ka4 n HIS 396 Cb 0.07 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.33 2ka4 n HIS 396 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka4 n GLN 398 N -4.01 0.00 -0.00 0.00 6.02 -1.26 -4.92 117.38 113.21 2ka4 n GLN 398 Ca 0.10 -0.07 0.15 0.00 -0.01 0.00 0.00 57.00 57.18 2ka4 n GLN 398 Cb 0.53 -0.47 0.88 0.00 1.02 0.00 0.00 30.24 32.20 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka4 n ALA 399 N 0.00 2.67 -0.77 -1.58 0.00 -1.26 -5.02 120.51 114.55 2ka4 n ALA 399 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2ka4 n ALA 399 Cb 0.29 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2ka4 n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka4 n GLY 400 N 0.98 2.20 0.50 0.00 0.00 -1.26 -2.67 105.19 104.93 2ka4 n GLY 400 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ka4 n GLY 400 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ka4 n LYS 401 N 10.48 0.75 -0.15 1.61 5.02 -1.26 -3.40 118.16 131.21 2ka4 n LYS 401 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2ka4 n LYS 401 Cb 0.00 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka4 n ALA 402 N 0.12 1.55 -1.46 7.82 0.00 -1.09 -4.91 120.51 122.55 2ka4 n ALA 402 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 53.44 52.16 2ka4 n ALA 402 Cb 0.19 -0.18 0.08 0.00 0.00 0.00 0.00 19.45 19.54 2ka4 n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 h GLN 404 N -0.01 0.00 -6.37 0.00 4.20 -1.95 -3.41 115.11 107.57 2ka4 h GLN 404 Ca -0.48 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.65 2ka4 h GLN 404 Cb 1.34 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.03 2ka4 h GLN 404 CO 0.48 0.25 0.73 0.08 -0.67 0.00 0.00 178.83 179.70 2ka4 s VAL 405 N -3.73 4.38 0.26 -0.54 1.01 -1.26 -4.95 120.40 115.58 2ka4 s VAL 405 Ca -0.00 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 2ka4 s VAL 405 Cb 0.11 -4.49 0.24 0.00 0.00 0.00 0.00 36.38 32.24 2ka4 s VAL 405 CO 0.64 -0.86 1.73 0.00 0.00 0.00 0.00 175.10 176.62 2ka4 h ALA 406 N 9.03 1.22 -0.02 5.51 0.00 -2.01 -2.35 119.26 130.64 2ka4 h ALA 406 Ca -0.23 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2ka4 h ALA 406 Cb 1.07 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2ka4 h ALA 406 CO 1.06 -0.21 -0.78 0.45 0.00 0.00 0.00 179.25 179.78 2ka4 h HIS 407 N 0.48 0.24 0.50 0.00 3.86 -1.95 -3.23 115.15 115.05 2ka4 h HIS 407 Ca 0.46 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 2ka4 h HIS 407 Cb 0.74 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2ka4 h HIS 407 CO -0.14 0.88 -0.29 0.00 0.86 0.00 0.00 177.93 179.24 2ka4 h ALA 409 N -1.52 1.37 -0.16 0.00 0.00 -1.72 -0.21 119.26 117.02 2ka4 h ALA 409 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ka4 h ALA 409 Cb 0.58 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ka4 h ALA 409 CO 0.08 0.52 0.05 0.77 0.00 0.00 0.00 179.25 180.67 2ka4 h SER 410 N 1.24 0.22 -0.40 0.00 0.02 -1.57 -2.61 113.55 110.46 2ka4 h SER 410 Ca 0.41 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2ka4 h SER 410 Cb 0.05 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2ka4 h SER 410 CO -0.14 0.36 0.25 0.28 -1.14 0.00 0.00 176.83 176.45 2ka4 h SER 411 N 0.08 0.43 -0.84 3.07 0.02 -0.52 0.62 113.55 116.41 2ka4 h SER 411 Ca 0.05 -0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.13 2ka4 h SER 411 Cb 0.21 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.56 2ka4 h SER 411 CO -0.00 0.31 0.44 0.03 -1.14 0.00 0.00 176.83 176.46 2ka4 h ARG 412 N 0.52 0.62 -0.07 3.45 3.08 -0.98 -1.02 114.38 119.98 2ka4 h ARG 412 Ca 0.15 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 2ka4 h ARG 412 Cb -0.04 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.88 2ka4 h ARG 412 CO -0.04 0.41 -0.50 0.37 -1.07 0.00 0.00 179.97 179.14 2ka4 h GLN 413 N 0.64 0.45 -0.64 0.04 5.75 -1.10 -3.35 115.11 116.91 2ka4 h GLN 413 Ca 0.45 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2ka4 h GLN 413 Cb 0.60 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 2ka4 h GLN 413 CO -0.34 1.04 0.38 0.97 -2.65 0.00 0.00 178.83 178.22 2ka4 h ILE 414 N 0.00 1.19 -0.34 2.39 2.10 -0.27 -3.08 117.51 119.50 2ka4 h ILE 414 Ca -0.04 -0.44 0.06 0.00 1.08 0.00 0.00 64.86 65.51 2ka4 h ILE 414 Cb 1.16 0.33 -0.05 0.00 -1.09 0.00 0.00 36.82 37.17 2ka4 h ILE 414 CO 0.10 0.20 0.03 0.40 -1.08 0.00 0.00 178.15 177.80 2ka4 h ILE 415 N 0.87 0.78 -0.08 2.19 2.04 -1.36 -2.51 117.51 119.45 2ka4 h ILE 415 Ca 0.23 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2ka4 h ILE 415 Cb -0.01 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2ka4 h ILE 415 CO -0.04 0.03 0.14 0.28 0.00 0.00 0.00 178.15 178.56 2ka4 h SER 416 N 0.14 0.00 0.40 1.72 0.02 -1.66 -2.55 113.55 111.62 2ka4 h SER 416 Ca 0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ka4 h SER 416 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2ka4 h SER 416 CO -0.25 0.00 -0.19 -0.74 -1.14 0.00 0.00 176.83 174.51 2ka4 h HIS 417 N 0.00 -0.50 0.00 3.45 -0.00 -1.52 -3.24 115.15 113.33 2ka4 h HIS 417 Ca 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2ka4 h HIS 417 Cb 0.32 0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.90 2ka4 h HIS 417 CO 0.00 -0.21 -0.06 2.35 -0.00 0.00 0.00 177.93 180.00 2ka4 h TRP 418 N -1.05 0.00 0.00 5.26 2.91 -1.63 -0.61 115.95 120.83 2ka4 h TRP 418 Ca -0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2ka4 h TRP 418 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2ka4 h TRP 418 CO 0.02 0.06 0.00 0.87 -1.03 0.00 0.00 178.44 178.36 2ka4 h LYS 419 N 0.00 0.00 0.00 2.65 1.57 -1.52 -3.36 116.57 115.91 2ka4 h LYS 419 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ka4 h LYS 419 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2ka4 h LYS 419 CO 0.01 0.00 -0.57 0.09 -0.57 0.00 0.00 179.45 178.41 2ka4 n ASN 420 N -3.08 2.86 -4.77 0.86 3.02 -0.71 -5.09 115.26 108.36 2ka4 n ASN 420 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.18 2ka4 n ASN 420 Cb 0.16 0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.66 2ka4 n ASN 420 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka4 n THR 422 N -1.32 0.00 -1.67 0.00 -2.24 -1.26 -4.95 114.28 102.84 2ka4 n THR 422 Ca 0.12 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.45 2ka4 n THR 422 Cb 0.50 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2ka4 n THR 422 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2ka4 n ARG 423 N -0.25 2.55 0.00 -0.78 1.85 -1.26 -4.88 116.66 113.88 2ka4 n ARG 423 Ca 0.00 0.93 0.02 0.00 -1.00 0.00 0.00 57.85 57.80 2ka4 n ARG 423 Cb 0.00 -2.85 0.11 0.00 -1.05 0.00 0.00 32.46 28.67 2ka4 n ARG 423 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2ka4 n HIS 424 N 7.21 0.00 -0.00 2.89 1.44 -1.26 -2.48 115.22 123.02 2ka4 n HIS 424 Ca 0.21 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.94 2ka4 n HIS 424 Cb 0.36 -0.34 0.04 0.00 0.12 0.00 0.00 29.99 30.17 2ka4 n HIS 424 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2ka4 n ASP 425 N -1.34 2.04 -4.64 4.39 5.75 -1.26 -4.78 116.55 116.71 2ka4 n ASP 425 Ca 0.02 -1.78 -0.53 0.00 -0.01 0.00 0.00 54.79 52.49 2ka4 n ASP 425 Cb 0.04 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 2ka4 n ASP 425 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ka4 h PRO 427 N 5.66 0.00 0.00 0.00 0.11 -1.98 -1.03 132.00 134.77 2ka4 h PRO 427 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2ka4 h PRO 427 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2ka4 h PRO 427 CO 0.85 0.00 -1.29 0.28 -0.21 0.00 0.00 178.00 177.63 2ka4 n VAL 428 N -3.30 0.29 0.24 3.15 0.31 -1.26 -4.72 118.33 113.04 2ka4 n VAL 428 Ca 0.03 -0.09 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 2ka4 n VAL 428 Cb 0.53 -1.12 0.56 0.00 -0.91 0.00 0.00 33.84 32.90 2ka4 n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka4 n LEU 430 N -3.37 -0.79 -0.03 0.00 7.94 -0.39 -0.34 117.00 120.01 2ka4 n LEU 430 Ca -0.00 1.70 0.07 0.00 -1.11 0.00 0.00 56.01 56.66 2ka4 n LEU 430 Cb 0.37 -0.32 0.45 0.00 0.53 0.00 0.00 43.42 44.45 2ka4 n LEU 430 CO 0.31 -1.46 1.17 1.55 -1.11 0.00 0.00 177.39 177.85 2ka4 h PRO 431 N 0.00 0.49 -0.09 1.96 0.13 -1.86 0.30 132.00 132.93 2ka4 h PRO 431 Ca 0.26 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.18 2ka4 h PRO 431 Cb 0.50 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.53 2ka4 h PRO 431 CO -0.94 0.33 -0.62 -0.07 -0.23 0.00 0.00 178.00 176.47 2ka4 h LEU 432 N 0.51 0.70 -1.22 1.56 4.07 -0.93 0.98 115.31 120.98 2ka4 h LEU 432 Ca 0.20 -0.67 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 2ka4 h LEU 432 Cb 0.16 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 2ka4 h LEU 432 CO -0.05 1.26 0.39 0.11 -1.08 0.00 0.00 178.44 179.07 2ka4 h LYS 433 N 0.20 0.92 -0.01 1.13 1.57 -0.41 -2.27 116.57 117.70 2ka4 h LYS 433 Ca -0.05 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2ka4 h LYS 433 Cb 1.28 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2ka4 h LYS 433 CO 0.13 0.66 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.69 2ka4 h ASN 434 N 0.94 0.03 -0.85 0.86 -0.73 -0.93 -3.02 115.58 111.88 2ka4 h ASN 434 Ca 0.24 -0.49 0.25 0.00 1.87 0.00 0.00 56.30 58.16 2ka4 h ASN 434 Cb -0.01 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.54 2ka4 h ASN 434 CO -0.04 0.52 0.79 0.00 -0.37 0.00 0.00 177.43 178.32 2ka4 h ALA 435 N 0.51 2.69 0.00 1.57 0.00 -0.25 -0.91 119.26 122.87 2ka4 h ALA 435 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ka4 h ALA 435 Cb 0.51 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ka4 h ALA 435 CO 0.00 -1.22 -0.20 0.45 0.00 0.00 0.00 179.25 178.28 2ka4 n SER 436 N -3.74 1.98 -2.52 0.00 2.88 -0.95 -4.71 113.62 106.56 2ka4 n SER 436 Ca 0.18 -3.20 -0.00 0.00 -1.33 0.00 0.00 58.87 54.51 2ka4 n SER 436 Cb 1.08 -0.44 0.06 0.00 -0.75 0.00 0.00 64.21 64.16 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ka4 n ASP 437 N -1.20 0.61 0.00 -3.46 2.03 -0.35 -4.95 116.55 109.23 2ka4 n ASP 437 Ca 0.15 -2.06 0.04 0.00 0.52 0.00 0.00 54.79 53.44 2ka4 n ASP 437 Cb 0.67 -0.13 0.19 0.00 -0.72 0.00 0.00 41.12 41.14 2ka4 n ASP 437 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ka4 n LYS 438 N -0.65 0.11 0.00 -0.67 4.76 -1.19 -4.93 118.16 115.58 2ka4 n LYS 438 Ca -0.01 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2ka4 n LYS 438 Cb 0.86 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 2ka4 n LYS 438 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57