#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 n THR 341 N 0.00 0.00 -2.70 0.00 5.66 -1.26 -5.01 114.28 110.97 2ka4 n THR 341 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2ka4 n THR 341 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 2ka4 n THR 341 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ka4 n GLY 342 N 0.11 0.45 0.14 1.09 0.00 -1.26 -5.02 105.19 100.70 2ka4 n GLY 342 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2ka4 n GLY 342 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ka4 n PRO 343 N -0.15 0.16 0.22 1.61 -0.04 -1.26 -2.47 135.00 133.07 2ka4 n PRO 343 Ca -0.04 0.53 0.15 0.00 -0.04 0.00 0.00 63.50 64.09 2ka4 n PRO 343 Cb 0.76 -1.90 0.49 0.00 -0.04 0.00 0.00 33.50 32.81 2ka4 n PRO 343 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2ka4 h THR 344 N 0.00 0.00 -3.98 0.52 1.35 -2.05 -3.46 112.91 105.29 2ka4 h THR 344 Ca 0.00 -0.58 -0.48 0.00 -0.55 0.00 0.00 66.41 64.80 2ka4 h THR 344 Cb 0.18 1.53 0.02 0.00 -1.73 0.00 0.00 68.15 68.15 2ka4 h THR 344 CO 0.00 0.00 0.41 0.00 -0.25 0.00 0.00 175.52 175.68 2ka4 s ALA 345 N -3.43 3.06 -0.28 6.62 0.00 -1.03 -5.07 121.76 121.63 2ka4 s ALA 345 Ca 0.04 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2ka4 s ALA 345 Cb 0.08 -3.27 0.18 0.00 0.00 0.00 0.00 23.12 20.11 2ka4 s ALA 345 CO 0.55 -0.24 0.52 0.34 0.00 0.00 0.00 175.76 176.93 2ka4 s ASP 346 N -1.60 -0.79 0.31 0.00 -1.08 -1.26 -5.07 116.67 107.18 2ka4 s ASP 346 Ca 0.59 0.26 0.05 0.00 -0.52 0.00 0.00 52.55 52.93 2ka4 s ASP 346 Cb -0.22 1.71 0.69 0.00 -1.46 0.00 0.00 42.92 43.64 2ka4 s ASP 346 CO 0.27 -0.30 1.84 -0.65 0.52 0.00 0.00 175.17 176.85 2ka4 h PRO 347 N 8.07 0.82 -0.11 4.34 0.11 -1.98 -0.22 132.00 143.03 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 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2ka4 h PRO 347 CO 0.23 0.54 -0.30 1.49 -0.21 0.00 0.00 178.00 179.75 2ka4 h GLU 348 N 0.84 0.39 -0.35 1.05 4.57 -1.99 -2.21 114.58 116.88 2ka4 h GLU 348 Ca 0.49 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2ka4 h GLU 348 Cb 0.65 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2ka4 h GLU 348 CO -0.26 0.90 0.15 -0.22 -1.18 0.00 0.00 179.01 178.39 2ka4 h LYS 349 N -0.04 0.52 -0.52 1.92 3.64 -1.95 -2.90 116.57 117.23 2ka4 h LYS 349 Ca -0.01 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2ka4 h LYS 349 Cb 0.91 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.55 2ka4 h LYS 349 CO 0.06 0.49 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.57 2ka4 h ARG 350 N 0.42 0.04 -0.37 1.90 2.43 -1.06 -0.33 114.38 117.41 2ka4 h ARG 350 Ca 0.12 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 2ka4 h ARG 350 Cb 0.16 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2ka4 h ARG 350 CO -0.01 0.03 0.26 0.87 -1.51 0.00 0.00 179.97 179.61 2ka4 h LYS 351 N 0.05 0.20 0.03 0.20 1.57 -1.22 -0.78 116.57 116.62 2ka4 h LYS 351 Ca 0.26 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2ka4 h LYS 351 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2ka4 h LYS 351 CO -0.49 0.13 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.43 2ka4 h LEU 352 N 0.20 -0.04 -0.97 2.94 3.38 -0.88 -1.90 115.31 118.05 2ka4 h LEU 352 Ca 0.17 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2ka4 h LEU 352 Cb 0.41 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2ka4 h LEU 352 CO -0.03 0.66 0.13 0.16 0.09 0.00 0.00 178.44 179.44 2ka4 h ILE 353 N -0.77 1.23 -0.21 1.22 -2.65 -1.38 -1.46 117.51 113.49 2ka4 h ILE 353 Ca -0.00 -0.86 0.04 0.00 1.03 0.00 0.00 64.86 65.07 2ka4 h ILE 353 Cb 0.68 0.67 -0.04 0.00 -2.05 0.00 0.00 36.82 36.07 2ka4 h ILE 353 CO 0.01 0.32 -0.05 1.56 0.03 0.00 0.00 178.15 180.02 2ka4 h GLN 354 N 0.84 0.00 -0.27 0.16 4.20 -1.19 -1.84 115.11 117.01 2ka4 h GLN 354 Ca 0.18 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 2ka4 h GLN 354 Cb 0.32 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2ka4 h GLN 354 CO 0.00 0.00 -0.50 1.96 -0.67 0.00 0.00 178.83 179.62 2ka4 h GLN 355 N 0.00 0.81 -0.57 1.46 4.20 -1.12 -2.28 115.11 117.61 2ka4 h GLN 355 Ca 0.10 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 2ka4 h GLN 355 Cb 0.15 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2ka4 h GLN 355 CO -0.22 1.14 0.27 0.37 -0.67 0.00 0.00 178.83 179.73 2ka4 h GLN 356 N 0.57 0.83 0.46 1.46 4.15 -1.23 -1.48 115.11 119.88 2ka4 h GLN 356 Ca 0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 2ka4 h GLN 356 Cb 1.11 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.63 2ka4 h GLN 356 CO 0.11 0.68 -0.40 1.25 -1.93 0.00 0.00 178.83 178.54 2ka4 h LEU 357 N 0.78 -1.06 -1.01 -2.39 6.46 -1.30 -2.64 115.31 114.15 2ka4 h LEU 357 Ca 0.20 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 58.08 2ka4 h LEU 357 Cb 0.13 0.34 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 2ka4 h LEU 357 CO -0.02 -0.57 0.66 0.58 -0.62 0.00 0.00 178.44 178.47 2ka4 h VAL 358 N -0.86 1.15 -0.73 1.05 2.07 -1.37 -2.09 116.25 115.47 2ka4 h VAL 358 Ca -0.05 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2ka4 h VAL 358 Cb 0.75 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2ka4 h VAL 358 CO -0.03 0.23 0.48 -0.07 0.02 0.00 0.00 177.57 178.20 2ka4 h LEU 359 N 1.25 0.76 -0.27 2.57 3.38 -1.10 -1.26 115.31 120.64 2ka4 h LEU 359 Ca 0.41 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 2ka4 h LEU 359 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ka4 h LEU 359 CO -0.14 0.52 -0.19 -0.07 0.09 0.00 0.00 178.44 178.65 2ka4 h LEU 360 N 0.88 0.64 -0.89 1.67 3.38 -1.03 -1.04 115.31 118.91 2ka4 h LEU 360 Ca 0.29 -0.44 0.11 0.00 0.09 0.00 0.00 57.88 57.92 2ka4 h LEU 360 Cb 0.06 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 2ka4 h LEU 360 CO -0.08 0.94 0.53 -0.07 0.09 0.00 0.00 178.44 179.85 2ka4 h LEU 361 N 0.34 0.76 0.52 1.67 3.38 -0.90 -1.43 115.31 119.65 2ka4 h LEU 361 Ca 0.05 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2ka4 h LEU 361 Cb 0.73 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ka4 h LEU 361 CO 0.05 0.42 -0.25 -0.74 0.09 0.00 0.00 178.44 178.01 2ka4 h HIS 362 N 0.86 -0.64 -0.98 1.13 2.76 -1.18 -3.31 115.15 113.79 2ka4 h HIS 362 Ca 0.44 -0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.80 2ka4 h HIS 362 Cb 0.42 0.21 -0.09 0.00 1.55 0.00 0.00 27.41 29.50 2ka4 h HIS 362 CO -0.04 -0.38 0.62 0.00 -1.30 0.00 0.00 177.93 176.83 2ka4 h ALA 363 N -1.12 1.91 0.90 5.26 0.00 -1.00 -0.09 119.26 125.13 2ka4 h ALA 363 Ca -0.07 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ka4 h ALA 363 Cb 0.55 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ka4 h ALA 363 CO 0.12 -0.27 -0.44 1.25 0.00 0.00 0.00 179.25 179.90 2ka4 h HIS 364 N 0.61 -1.15 -0.02 0.00 6.17 -1.39 -0.54 115.15 118.82 2ka4 h HIS 364 Ca 0.55 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.55 2ka4 h HIS 364 Cb 1.07 0.38 -0.01 0.00 2.52 0.00 0.00 27.41 31.38 2ka4 h HIS 364 CO -0.00 -0.71 -0.24 1.57 0.71 0.00 0.00 177.93 179.25 2ka4 h LYS 365 N -1.23 0.04 -0.44 5.26 2.10 -1.54 -2.57 116.57 118.19 2ka4 h LYS 365 Ca -0.12 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.47 2ka4 h LYS 365 Cb 0.94 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 2ka4 h LYS 365 CO 0.20 0.28 0.10 0.00 -2.00 0.00 0.00 179.45 178.03 2ka4 h GLN 367 N 0.58 0.22 -0.13 0.00 -0.00 -0.72 -0.58 115.11 114.47 2ka4 h GLN 367 Ca 0.14 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.66 2ka4 h GLN 367 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.77 2ka4 h GLN 367 CO 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 178.83 178.75 2ka4 h ARG 368 N 0.22 0.44 -0.09 1.69 2.47 -1.06 -3.25 114.38 114.80 2ka4 h ARG 368 Ca 0.05 -0.30 -0.05 0.00 -1.26 0.00 0.00 59.98 58.43 2ka4 h ARG 368 Cb 0.12 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2ka4 h ARG 368 CO -0.00 0.91 -0.16 0.07 0.56 0.00 0.00 179.97 181.35 2ka4 h ARG 369 N 0.04 0.14 -0.73 0.04 0.11 -0.63 -2.61 114.38 110.73 2ka4 h ARG 369 Ca -0.00 -0.03 0.17 0.00 0.10 0.00 0.00 59.98 60.21 2ka4 h ARG 369 Cb 0.92 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.93 2ka4 h ARG 369 CO 0.07 0.31 0.50 1.49 0.10 0.00 0.00 179.97 182.43 2ka4 h GLU 370 N 0.13 0.26 -0.08 0.08 4.81 -1.15 -2.07 114.58 116.56 2ka4 h GLU 370 Ca 0.03 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2ka4 h GLU 370 Cb 0.37 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2ka4 h GLU 370 CO 0.02 0.17 0.12 1.96 -0.73 0.00 0.00 179.01 180.55 2ka4 h GLN 371 N 0.27 0.00 0.00 1.92 4.20 -1.55 -0.99 115.11 118.95 2ka4 h GLN 371 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2ka4 h GLN 371 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2ka4 h GLN 371 CO -0.08 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.08 2ka4 h ALA 372 N 1.84 1.00 0.00 3.87 0.00 -1.57 -2.97 119.26 121.42 2ka4 h ALA 372 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ka4 h ALA 372 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka4 h ALA 372 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2ka4 n ASN 373 N -2.36 1.09 0.00 0.00 4.13 -0.44 -5.06 115.26 112.63 2ka4 n ASN 373 Ca 0.01 -1.53 0.00 0.00 1.68 0.00 0.00 54.58 54.74 2ka4 n ASN 373 Cb 0.18 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ka4 n GLY 374 N -0.27 1.36 3.09 7.41 0.00 -0.84 -4.72 105.19 111.23 2ka4 n GLY 374 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2ka4 n GLY 374 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ka4 s GLU 375 N 0.00 0.23 -0.28 1.61 2.02 -1.25 -4.52 118.70 116.50 2ka4 s GLU 375 Ca 0.00 0.63 -0.16 0.00 0.02 0.00 0.00 54.97 55.46 2ka4 s GLU 375 Cb 0.00 -0.08 0.11 0.00 0.10 0.00 0.00 34.13 34.26 2ka4 s GLU 375 CO 0.00 -0.18 0.82 0.54 0.02 0.00 0.00 175.26 176.46 2ka4 s VAL 376 N 1.51 -0.01 -0.07 2.63 0.11 -1.26 -5.05 120.40 118.26 2ka4 s VAL 376 Ca -0.07 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 2ka4 s VAL 376 Cb -0.10 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.91 2ka4 s VAL 376 CO -0.09 0.00 1.05 0.54 -3.33 0.00 0.00 175.10 173.27 2ka4 n ARG 377 N 4.05 1.18 0.40 1.54 5.12 -1.26 -4.85 116.66 122.84 2ka4 n ARG 377 Ca -0.19 -1.93 -0.16 0.00 -1.93 0.00 0.00 57.85 53.63 2ka4 n ARG 377 Cb 0.58 -1.14 -0.08 0.00 -1.16 0.00 0.00 32.46 30.67 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ka4 h ALA 378 N 0.00 -1.04 0.00 7.54 0.00 -2.01 -3.45 119.26 120.30 2ka4 h ALA 378 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ka4 h ALA 378 Cb 1.01 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2ka4 h ALA 378 CO 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 179.25 178.28 2ka4 n SER 380 N -2.74 0.00 -4.69 0.00 7.64 -1.26 -5.10 113.62 107.47 2ka4 n SER 380 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2ka4 n SER 380 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ka4 s LEU 381 N 0.00 4.24 0.55 -3.43 2.01 -1.26 -4.96 118.68 115.83 2ka4 s LEU 381 Ca 0.00 1.57 0.41 0.00 0.01 0.00 0.00 54.13 56.12 2ka4 s LEU 381 Cb 0.00 -3.56 1.61 0.00 0.01 0.00 0.00 46.19 44.25 2ka4 s LEU 381 CO 0.00 -0.48 1.73 -0.65 1.01 0.00 0.00 176.35 177.95 2ka4 h PRO 382 N 7.18 0.01 0.00 1.29 0.11 -1.99 -2.51 132.00 136.09 2ka4 h PRO 382 Ca -0.31 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 2ka4 h PRO 382 Cb 1.14 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2ka4 h PRO 382 CO 0.87 0.00 -0.24 0.72 -0.21 0.00 0.00 178.00 179.14 2ka4 n HIS 383 N -4.11 0.00 -0.09 0.65 8.25 -1.26 -4.86 115.22 113.80 2ka4 n HIS 383 Ca 0.32 -0.66 -0.06 0.00 -0.26 0.00 0.00 57.72 57.06 2ka4 n HIS 383 Cb 1.50 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 32.50 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 0.06 0.62 0.10 0.00 -0.00 -1.88 -1.17 114.38 112.12 2ka4 h ARG 385 Ca 0.16 -0.14 -0.00 0.00 -0.00 0.00 0.00 59.98 60.00 2ka4 h ARG 385 Cb 0.23 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.11 2ka4 h ARG 385 CO -0.29 0.63 -0.05 1.15 -0.00 0.00 0.00 179.97 181.41 2ka4 h THR 386 N 0.59 0.92 -0.32 0.08 2.02 -1.69 -2.03 112.91 112.49 2ka4 h THR 386 Ca 0.13 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 2ka4 h THR 386 Cb 0.34 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2ka4 h THR 386 CO 0.01 0.01 -0.04 0.24 0.37 0.00 0.00 175.52 176.12 2ka4 h MET 387 N -0.15 0.59 -0.86 6.66 2.86 -1.08 -2.46 114.93 120.48 2ka4 h MET 387 Ca -0.01 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2ka4 h MET 387 Cb 0.12 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 2ka4 h MET 387 CO 0.02 0.75 0.52 0.87 1.06 0.00 0.00 176.91 180.13 2ka4 h LYS 388 N 0.37 0.90 -0.47 1.72 1.57 -1.15 0.14 116.57 119.64 2ka4 h LYS 388 Ca 0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2ka4 h LYS 388 Cb 0.51 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2ka4 h LYS 388 CO 0.02 0.59 0.16 -0.91 -0.57 0.00 0.00 179.45 178.75 2ka4 h ASN 389 N 0.92 0.67 -0.55 0.86 2.35 -1.29 -1.50 115.58 117.04 2ka4 h ASN 389 Ca 0.39 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2ka4 h ASN 389 Cb 0.25 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2ka4 h ASN 389 CO -0.20 0.68 0.03 0.58 -1.65 0.00 0.00 177.43 176.87 2ka4 h VAL 390 N 0.61 1.26 -0.20 2.81 2.07 -0.89 -1.90 116.25 120.02 2ka4 h VAL 390 Ca 0.15 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2ka4 h VAL 390 Cb 0.24 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ka4 h VAL 390 CO -0.01 0.38 0.02 -0.07 0.02 0.00 0.00 177.57 177.91 2ka4 h LEU 391 N 0.83 0.33 -0.51 2.57 3.38 -0.67 0.60 115.31 121.83 2ka4 h LEU 391 Ca 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2ka4 h LEU 391 Cb 0.50 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2ka4 h LEU 391 CO 0.02 0.53 0.28 -1.13 0.09 0.00 0.00 178.44 178.23 2ka4 h ASN 392 N 0.11 0.63 0.18 -0.43 -0.73 -1.30 -2.00 115.58 112.05 2ka4 h ASN 392 Ca 0.06 -0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.14 2ka4 h ASN 392 Cb 0.35 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 2ka4 h ASN 392 CO 0.01 0.55 -0.25 -0.74 -0.37 0.00 0.00 177.43 176.62 2ka4 h HIS 393 N 0.67 -0.68 -1.01 0.67 2.76 -1.17 -2.73 115.15 113.67 2ka4 h HIS 393 Ca 0.18 0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.59 2ka4 h HIS 393 Cb 0.05 0.28 -0.10 0.00 1.55 0.00 0.00 27.41 29.19 2ka4 h HIS 393 CO -0.02 -0.36 0.64 0.52 -1.30 0.00 0.00 177.93 177.41 2ka4 h MET 394 N -0.50 0.49 0.00 5.26 2.86 -0.69 0.13 114.93 122.47 2ka4 h MET 394 Ca 0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 2ka4 h MET 394 Cb 0.49 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2ka4 h MET 394 CO -0.11 0.32 -0.38 1.15 1.06 0.00 0.00 176.91 178.96 2ka4 h THR 395 N 0.50 0.94 0.00 2.22 2.02 -1.05 -3.19 112.91 114.35 2ka4 h THR 395 Ca 0.58 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2ka4 h THR 395 Cb 1.28 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2ka4 h THR 395 CO -0.32 0.37 -1.91 1.41 0.37 0.00 0.00 175.52 175.45 2ka4 n HIS 396 N -3.60 0.00 -0.85 3.16 8.25 -0.38 -5.00 115.22 116.80 2ka4 n HIS 396 Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 2ka4 n HIS 396 Cb 0.49 -0.45 0.16 0.00 1.12 0.00 0.00 29.99 31.31 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 -4.16 0.00 -0.00 0.00 6.02 -1.26 -4.93 117.38 113.04 2ka4 n GLN 398 Ca 0.09 -0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.19 2ka4 n GLN 398 Cb 0.53 -0.41 0.79 0.00 1.02 0.00 0.00 30.24 32.16 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 2.65 -0.75 -1.58 0.00 -1.26 -5.02 120.51 114.54 2ka4 n ALA 399 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2ka4 n ALA 399 Cb 0.27 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.99 2.49 0.30 0.00 0.00 -1.26 -2.66 105.19 105.05 2ka4 n GLY 400 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2ka4 n GLY 400 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ka4 n LYS 401 N 13.26 0.66 -0.18 1.61 4.81 -1.26 -3.42 118.16 133.64 2ka4 n LYS 401 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2ka4 n LYS 401 Cb 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 33.87 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka4 n ALA 402 N -0.10 1.67 -1.49 3.14 0.00 -1.09 -4.92 120.51 117.72 2ka4 n ALA 402 Ca 0.00 -1.05 -0.36 0.00 0.00 0.00 0.00 53.44 52.03 2ka4 n ALA 402 Cb 0.10 -0.22 0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 0.06 0.00 -6.46 0.00 4.20 -1.95 -3.43 115.11 107.52 2ka4 h GLN 404 Ca -0.48 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.66 2ka4 h GLN 404 Cb 1.34 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.06 2ka4 h GLN 404 CO 0.49 0.27 0.92 0.08 -0.67 0.00 0.00 178.83 179.91 2ka4 s VAL 405 N -3.61 4.28 0.27 -0.54 1.01 -1.26 -4.94 120.40 115.61 2ka4 s VAL 405 Ca 0.01 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2ka4 s VAL 405 Cb 0.10 -4.40 0.26 0.00 0.00 0.00 0.00 36.38 32.34 2ka4 s VAL 405 CO 0.65 -0.67 1.72 0.00 0.00 0.00 0.00 175.10 176.80 2ka4 h ALA 406 N 8.92 1.28 0.00 5.51 0.00 -2.02 -2.10 119.26 130.84 2ka4 h ALA 406 Ca -0.23 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ka4 h ALA 406 Cb 1.07 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ka4 h ALA 406 CO 1.07 -0.25 -0.41 0.45 0.00 0.00 0.00 179.25 180.10 2ka4 h HIS 407 N 0.45 0.00 0.23 0.00 3.86 -1.96 -3.34 115.15 114.39 2ka4 h HIS 407 Ca 0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.69 2ka4 h HIS 407 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2ka4 h HIS 407 CO -0.14 0.00 -0.11 0.00 0.86 0.00 0.00 177.93 178.53 2ka4 h ALA 409 N -1.74 1.89 0.14 0.00 0.00 -1.75 -0.00 119.26 117.79 2ka4 h ALA 409 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ka4 h ALA 409 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ka4 h ALA 409 CO 0.05 -0.10 -0.07 0.66 0.00 0.00 0.00 179.25 179.79 2ka4 h SER 410 N 0.62 -0.16 -0.71 0.00 4.64 -1.68 -3.12 113.55 113.13 2ka4 h SER 410 Ca 0.40 -0.36 0.11 0.00 -0.47 0.00 0.00 61.79 61.48 2ka4 h SER 410 Cb 0.68 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.73 2ka4 h SER 410 CO -0.16 0.32 0.31 0.28 -0.87 0.00 0.00 176.83 176.70 2ka4 h SER 411 N -0.70 0.34 -0.94 4.97 0.02 -0.82 0.82 113.55 117.24 2ka4 h SER 411 Ca -0.02 0.08 0.17 0.00 -0.84 0.00 0.00 61.79 61.18 2ka4 h SER 411 Cb 0.51 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 2ka4 h SER 411 CO 0.03 0.17 0.60 -0.09 -1.14 0.00 0.00 176.83 176.41 2ka4 h ARG 412 N 0.50 0.66 0.15 3.45 2.43 -1.07 -1.78 114.38 118.72 2ka4 h ARG 412 Ca 0.37 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 59.22 2ka4 h ARG 412 Cb 0.48 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2ka4 h ARG 412 CO -0.33 0.43 -1.38 0.37 -1.51 0.00 0.00 179.97 177.55 2ka4 h GLN 413 N 0.68 0.32 -0.93 0.20 5.75 -1.27 -3.36 115.11 116.50 2ka4 h GLN 413 Ca 0.50 -0.54 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2ka4 h GLN 413 Cb 0.86 0.20 -0.05 0.00 1.07 0.00 0.00 27.48 29.56 2ka4 h GLN 413 CO -0.25 1.26 0.61 0.97 -2.65 0.00 0.00 178.83 178.76 2ka4 h ILE 414 N -0.18 1.19 -0.43 2.39 2.10 -0.36 -2.66 117.51 119.56 2ka4 h ILE 414 Ca -0.28 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.24 2ka4 h ILE 414 Cb 1.85 -0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 37.44 2ka4 h ILE 414 CO 0.12 0.22 0.24 0.40 -1.08 0.00 0.00 178.15 178.05 2ka4 h ILE 415 N 1.21 1.15 -0.11 2.19 2.04 -1.54 -2.85 117.51 119.60 2ka4 h ILE 415 Ca 0.36 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2ka4 h ILE 415 Cb -0.06 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2ka4 h ILE 415 CO -0.10 0.16 0.10 0.28 0.00 0.00 0.00 178.15 178.59 2ka4 h SER 416 N 0.56 0.00 0.32 1.72 0.02 -1.62 -2.41 113.55 112.13 2ka4 h SER 416 Ca 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2ka4 h SER 416 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2ka4 h SER 416 CO -0.02 0.00 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.77 2ka4 h HIS 417 N 0.00 -0.39 -0.22 3.45 -0.00 -1.43 -3.25 115.15 113.31 2ka4 h HIS 417 Ca 0.05 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2ka4 h HIS 417 Cb 0.25 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 2ka4 h HIS 417 CO 0.00 -0.05 0.15 2.35 -0.00 0.00 0.00 177.93 180.38 2ka4 h TRP 418 N -0.89 0.23 0.00 5.26 -0.00 -1.59 -0.36 115.95 118.60 2ka4 h TRP 418 Ca -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2ka4 h TRP 418 Cb 0.52 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 29.60 2ka4 h TRP 418 CO 0.04 0.14 0.00 1.63 -0.00 0.00 0.00 178.44 180.25 2ka4 n LYS 419 N -4.50 0.14 0.00 2.65 4.76 -0.92 -4.11 118.16 116.17 2ka4 n LYS 419 Ca 0.01 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2ka4 n LYS 419 Cb 0.11 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ka4 n ASN 420 N -2.16 1.84 -4.77 4.39 3.02 -0.56 -5.08 115.26 111.94 2ka4 n ASN 420 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2ka4 n ASN 420 Cb 0.11 0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.00 0.00 -1.78 0.00 -2.24 -1.26 -4.96 114.28 104.04 2ka4 n THR 422 Ca 0.04 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2ka4 n THR 422 Cb 0.45 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 2ka4 n THR 422 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2ka4 s ARG 423 N -0.10 3.89 0.00 -0.78 3.52 -1.26 -4.90 118.95 119.32 2ka4 s ARG 423 Ca 0.00 2.29 0.10 0.00 -0.13 0.00 0.00 55.73 57.98 2ka4 s ARG 423 Cb 0.00 -4.16 0.43 0.00 -1.56 0.00 0.00 34.95 29.66 2ka4 s ARG 423 CO 0.00 -1.22 1.28 -2.39 -0.81 0.00 0.00 175.30 172.15 2ka4 n HIS 424 N 8.46 0.00 -0.81 5.12 1.44 -1.26 -2.81 115.22 125.36 2ka4 n HIS 424 Ca 0.21 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.96 2ka4 n HIS 424 Cb 0.43 -0.45 0.05 0.00 0.12 0.00 0.00 29.99 30.14 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 -1.45 1.59 -4.68 4.39 5.75 -1.26 -4.87 116.55 116.03 2ka4 n ASP 425 Ca 0.03 -2.27 -0.45 0.00 -0.01 0.00 0.00 54.79 52.08 2ka4 n ASP 425 Cb 0.10 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 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 7.40 0.73 0.06 0.00 0.13 -1.96 -0.98 132.00 137.37 2ka4 h PRO 427 Ca -0.46 -0.19 -0.09 0.00 -0.87 0.00 0.00 66.00 64.39 2ka4 h PRO 427 Cb 1.25 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2ka4 h PRO 427 CO 0.92 0.75 -0.42 0.28 -0.23 0.00 0.00 178.00 179.30 2ka4 h VAL 428 N 0.68 1.62 0.00 1.56 2.07 -1.91 -3.36 116.25 116.91 2ka4 h VAL 428 Ca 0.13 -2.41 -0.11 0.00 0.82 0.00 0.00 66.70 65.13 2ka4 h VAL 428 Cb 0.43 3.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 2ka4 h VAL 428 CO 0.02 0.64 -0.52 0.00 0.02 0.00 0.00 177.57 177.73 2ka4 h LEU 430 N 0.00 -1.29 -1.51 0.00 5.85 -1.32 0.20 115.31 117.23 2ka4 h LEU 430 Ca -0.01 0.28 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2ka4 h LEU 430 Cb 0.94 0.68 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 2ka4 h LEU 430 CO 0.07 -0.29 0.35 1.55 -0.34 0.00 0.00 178.44 179.77 2ka4 h PRO 431 N -0.06 0.63 -0.18 5.25 0.13 -1.82 0.66 132.00 136.61 2ka4 h PRO 431 Ca 0.31 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.24 2ka4 h PRO 431 Cb 0.58 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2ka4 h PRO 431 CO -0.87 0.42 -0.54 -0.07 -0.23 0.00 0.00 178.00 176.71 2ka4 h LEU 432 N 0.65 0.79 -0.83 1.56 4.07 -1.05 0.87 115.31 121.37 2ka4 h LEU 432 Ca 0.20 -0.59 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 2ka4 h LEU 432 Cb 0.01 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 2ka4 h LEU 432 CO -0.05 1.24 0.45 0.11 -1.08 0.00 0.00 178.44 179.11 2ka4 h LYS 433 N 0.38 1.16 -0.42 1.13 1.57 -0.42 -2.24 116.57 117.72 2ka4 h LYS 433 Ca -0.02 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 2ka4 h LYS 433 Cb 1.16 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2ka4 h LYS 433 CO 0.12 0.85 -0.19 -0.97 -0.57 0.00 0.00 179.45 178.69 2ka4 h ASN 434 N 1.15 0.89 -0.12 0.86 -0.73 -0.83 -0.86 115.58 115.95 2ka4 h ASN 434 Ca 0.29 -0.40 0.03 0.00 1.87 0.00 0.00 56.30 58.10 2ka4 h ASN 434 Cb 0.03 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.37 2ka4 h ASN 434 CO -0.05 1.09 0.15 0.00 -0.37 0.00 0.00 177.43 178.25 2ka4 h ALA 435 N 0.83 1.66 0.00 1.57 0.00 -0.32 -3.19 119.26 119.81 2ka4 h ALA 435 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2ka4 h ALA 435 Cb 0.75 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2ka4 h ALA 435 CO 0.06 -0.21 -1.43 -1.13 0.00 0.00 0.00 179.25 176.55 2ka4 n SER 436 N -3.72 3.19 0.00 0.00 3.41 -0.89 -4.59 113.62 111.01 2ka4 n SER 436 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2ka4 n SER 436 Cb 0.25 1.06 0.28 0.00 -0.26 0.00 0.00 64.21 65.54 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ka4 n ASP 437 N -2.00 0.00 0.09 4.04 2.03 -0.34 -3.78 116.55 116.59 2ka4 n ASP 437 Ca -0.06 0.28 0.20 0.00 0.52 0.00 0.00 54.79 55.73 2ka4 n ASP 437 Cb 0.45 -0.38 0.75 0.00 -0.72 0.00 0.00 41.12 41.22 2ka4 n ASP 437 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ka4 h LYS 438 N 0.00 0.00 0.00 -0.67 1.79 -1.81 -3.51 116.57 112.37 2ka4 h LYS 438 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ka4 h LYS 438 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2ka4 h LYS 438 CO 0.00 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.24