#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 0.20 -3.44 0.00 5.66 -1.26 -4.96 114.28 110.48 2ka4 n THR 341 Ca 0.00 0.05 -0.19 0.00 -3.05 0.00 0.00 64.05 60.86 2ka4 n THR 341 Cb 0.00 -0.66 0.06 0.00 -1.55 0.00 0.00 70.33 68.19 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 0.71 -0.78 0.29 1.09 0.00 -1.26 -4.76 105.19 100.48 2ka4 n GLY 342 Ca 0.13 0.36 0.16 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.55 0.00 -0.40 1.61 0.13 -2.01 0.23 132.00 130.01 2ka4 h PRO 343 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2ka4 h PRO 343 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2ka4 h PRO 343 CO 0.48 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 2ka4 n THR 344 N -3.49 0.51 0.00 1.56 -2.24 -1.26 -4.52 114.28 104.85 2ka4 n THR 344 Ca -0.02 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2ka4 n THR 344 Cb 0.17 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.26 1.69 -0.91 6.98 0.00 -0.70 -5.11 120.51 123.71 2ka4 n ALA 345 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 2ka4 n ALA 345 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.53 -0.23 -0.31 0.00 -0.08 -0.01 -4.62 116.55 109.76 2ka4 n ASP 346 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.42 2ka4 n ASP 346 Cb 0.25 -0.06 0.31 0.00 2.34 0.00 0.00 41.12 43.97 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 0.48 0.41 -0.09 -0.67 0.11 -1.93 -0.00 132.00 130.31 2ka4 h PRO 347 Ca -0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2ka4 h PRO 347 Cb 0.05 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 2ka4 h PRO 347 CO 0.01 0.27 -0.02 1.49 -0.21 0.00 0.00 178.00 179.54 2ka4 h GLU 348 N 0.43 0.18 -0.42 1.05 4.57 -2.00 -1.63 114.58 116.76 2ka4 h GLU 348 Ca 0.57 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.64 2ka4 h GLU 348 Cb 1.07 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2ka4 h GLU 348 CO -0.52 0.49 0.10 -0.22 -1.18 0.00 0.00 179.01 177.68 2ka4 h LYS 349 N -0.15 0.68 -0.74 1.92 3.64 -1.81 -1.84 116.57 118.27 2ka4 h LYS 349 Ca 0.02 -0.16 0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2ka4 h LYS 349 Cb 0.42 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 2ka4 h LYS 349 CO 0.01 0.69 0.37 -0.09 -2.27 0.00 0.00 179.45 178.16 2ka4 h ARG 350 N 0.55 0.61 -0.23 1.90 1.12 -1.01 -1.08 114.38 116.24 2ka4 h ARG 350 Ca 0.13 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 2ka4 h ARG 350 Cb 0.32 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2ka4 h ARG 350 CO 0.00 0.40 0.11 -0.22 -3.11 0.00 0.00 179.97 177.15 2ka4 h LYS 351 N 0.63 0.33 -0.28 0.20 3.64 -1.09 -2.41 116.57 117.59 2ka4 h LYS 351 Ca 0.37 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2ka4 h LYS 351 Cb 0.39 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2ka4 h LYS 351 CO -0.28 0.34 0.12 -0.07 -2.27 0.00 0.00 179.45 177.29 2ka4 h LEU 352 N 0.23 0.16 -0.44 5.20 3.38 -0.41 -0.35 115.31 123.08 2ka4 h LEU 352 Ca 0.08 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ka4 h LEU 352 Cb 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2ka4 h LEU 352 CO -0.01 0.13 0.04 0.16 0.09 0.00 0.00 178.44 178.84 2ka4 h ILE 353 N 0.25 1.25 -0.54 1.22 3.07 -1.28 -2.54 117.51 118.96 2ka4 h ILE 353 Ca 0.12 -0.96 0.09 0.00 1.55 0.00 0.00 64.86 65.65 2ka4 h ILE 353 Cb 0.06 1.02 -0.07 0.00 -0.27 0.00 0.00 36.82 37.56 2ka4 h ILE 353 CO -0.10 0.33 0.15 1.56 -1.05 0.00 0.00 178.15 179.05 2ka4 h GLN 354 N 0.60 0.30 -0.21 0.16 4.20 -1.20 -1.08 115.11 117.88 2ka4 h GLN 354 Ca 0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2ka4 h GLN 354 Cb 0.43 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2ka4 h GLN 354 CO 0.01 0.20 0.10 1.96 -0.67 0.00 0.00 178.83 180.44 2ka4 h GLN 355 N 0.31 0.30 -0.54 1.46 4.20 -0.95 -1.28 115.11 118.61 2ka4 h GLN 355 Ca 0.27 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2ka4 h GLN 355 Cb 0.34 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2ka4 h GLN 355 CO -0.31 0.32 0.20 0.37 -0.67 0.00 0.00 178.83 178.74 2ka4 h GLN 356 N 0.21 0.81 0.16 1.46 4.15 -1.25 -1.31 115.11 119.34 2ka4 h GLN 356 Ca 0.07 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.36 2ka4 h GLN 356 Cb 0.11 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 2ka4 h GLN 356 CO -0.01 0.72 -0.38 1.25 -1.93 0.00 0.00 178.83 178.48 2ka4 h LEU 357 N 0.73 -1.09 -0.98 -2.39 6.46 -1.00 -1.74 115.31 115.31 2ka4 h LEU 357 Ca 0.18 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 2ka4 h LEU 357 Cb 0.22 0.40 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 2ka4 h LEU 357 CO -0.01 -0.47 0.36 0.58 -0.62 0.00 0.00 178.44 178.28 2ka4 h VAL 358 N -0.63 1.24 -0.93 1.05 2.07 -1.20 -1.96 116.25 115.88 2ka4 h VAL 358 Ca 0.02 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2ka4 h VAL 358 Cb 0.65 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2ka4 h VAL 358 CO -0.20 0.29 0.59 -0.07 0.02 0.00 0.00 177.57 178.20 2ka4 h LEU 359 N 1.08 1.09 -0.38 2.57 3.38 -0.94 -0.69 115.31 121.43 2ka4 h LEU 359 Ca 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2ka4 h LEU 359 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2ka4 h LEU 359 CO -0.03 0.81 0.07 -0.07 0.09 0.00 0.00 178.44 179.31 2ka4 h LEU 360 N 1.27 0.60 -0.83 1.67 3.38 -0.95 -1.07 115.31 119.38 2ka4 h LEU 360 Ca 0.34 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2ka4 h LEU 360 Cb -0.10 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 2ka4 h LEU 360 CO -0.07 0.70 0.49 -0.07 0.09 0.00 0.00 178.44 179.58 2ka4 h LEU 361 N 0.47 0.74 0.46 1.67 3.38 -0.91 -1.48 115.31 119.65 2ka4 h LEU 361 Ca 0.12 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2ka4 h LEU 361 Cb 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2ka4 h LEU 361 CO 0.01 0.45 -0.22 -0.74 0.09 0.00 0.00 178.44 178.03 2ka4 h HIS 362 N 0.86 -0.57 -0.91 1.13 2.76 -0.99 -3.28 115.15 114.16 2ka4 h HIS 362 Ca 0.38 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.70 2ka4 h HIS 362 Cb 0.26 0.19 -0.10 0.00 1.55 0.00 0.00 27.41 29.31 2ka4 h HIS 362 CO -0.05 -0.25 0.50 0.00 -1.30 0.00 0.00 177.93 176.83 2ka4 h ALA 363 N -0.62 1.41 0.27 5.26 0.00 -0.96 0.52 119.26 125.15 2ka4 h ALA 363 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ka4 h ALA 363 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ka4 h ALA 363 CO 0.10 -0.07 -0.13 1.25 0.00 0.00 0.00 179.25 180.40 2ka4 h HIS 364 N 0.67 -0.33 -0.49 0.00 6.17 -1.39 0.33 115.15 120.11 2ka4 h HIS 364 Ca 0.50 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.56 2ka4 h HIS 364 Cb 0.74 0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.75 2ka4 h HIS 364 CO -0.06 -0.15 0.22 0.87 0.71 0.00 0.00 177.93 179.52 2ka4 h LYS 365 N -0.44 0.69 -0.52 5.26 1.57 -1.48 -0.83 116.57 120.82 2ka4 h LYS 365 Ca -0.04 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2ka4 h LYS 365 Cb 0.33 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2ka4 h LYS 365 CO 0.06 0.55 0.01 0.00 -0.57 0.00 0.00 179.45 179.50 2ka4 h GLN 367 N 0.81 0.56 -0.52 0.00 -0.00 -0.10 -0.70 115.11 115.16 2ka4 h GLN 367 Ca 0.16 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 2ka4 h GLN 367 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.91 2ka4 h GLN 367 CO 0.02 0.79 0.19 0.00 0.00 0.00 0.00 178.83 179.84 2ka4 h ARG 368 N 0.49 0.79 -0.98 1.69 3.08 -0.64 0.27 114.38 119.08 2ka4 h ARG 368 Ca 0.06 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2ka4 h ARG 368 Cb 0.75 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 2ka4 h ARG 368 CO 0.06 0.70 0.62 0.00 -1.07 0.00 0.00 179.97 180.28 2ka4 h ARG 369 N 0.70 1.31 -0.11 0.04 3.08 -0.85 -2.41 114.38 116.14 2ka4 h ARG 369 Ca 0.17 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2ka4 h ARG 369 Cb 0.22 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2ka4 h ARG 369 CO -0.01 0.89 0.02 1.49 -1.07 0.00 0.00 179.97 181.29 2ka4 h GLU 370 N 1.34 0.18 -0.19 0.04 4.81 -0.82 -3.12 114.58 116.82 2ka4 h GLU 370 Ca 0.35 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 2ka4 h GLU 370 Cb -0.11 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2ka4 h GLU 370 CO -0.07 0.38 0.15 0.37 -0.73 0.00 0.00 179.01 179.11 2ka4 h GLN 371 N -0.04 0.00 0.00 1.92 5.75 -0.69 0.14 115.11 122.19 2ka4 h GLN 371 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2ka4 h GLN 371 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2ka4 h GLN 371 CO 0.00 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 2ka4 n ALA 372 N -2.52 1.56 0.00 3.38 0.00 -0.93 -4.06 120.51 117.95 2ka4 n ALA 372 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ka4 n ALA 372 Cb 0.28 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2ka4 n ALA 372 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ka4 n ASN 373 N -1.54 1.45 0.00 0.00 2.85 -0.60 -5.08 115.26 112.35 2ka4 n ASN 373 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2ka4 n ASN 373 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ka4 n GLY 374 N 2.39 3.31 0.74 8.20 0.00 0.41 -4.82 105.19 115.41 2ka4 n GLY 374 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.41 0.04 -1.84 1.61 1.02 -1.26 -4.98 120.64 113.81 2ka4 n GLU 375 Ca 0.00 -1.30 -0.39 0.00 -0.02 0.00 0.00 57.16 55.45 2ka4 n GLU 375 Cb 0.00 -0.40 0.02 0.00 -0.02 0.00 0.00 31.44 31.04 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ka4 s VAL 376 N -0.08 2.17 0.51 2.62 0.11 -1.26 -5.02 120.40 119.46 2ka4 s VAL 376 Ca 0.09 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.15 2ka4 s VAL 376 Cb 0.10 -3.08 -0.06 0.00 -1.53 0.00 0.00 36.38 31.81 2ka4 s VAL 376 CO -0.04 0.01 0.94 -0.13 -3.33 0.00 0.00 175.10 172.54 2ka4 s ARG 377 N -2.62 3.81 0.69 1.54 3.00 -1.26 -5.02 118.95 119.08 2ka4 s ARG 377 Ca 0.65 0.76 -0.17 0.00 0.00 0.00 0.00 55.73 56.97 2ka4 s ARG 377 Cb -0.41 -2.19 0.00 0.00 0.00 0.00 0.00 34.95 32.35 2ka4 s ARG 377 CO 0.51 -0.28 1.16 0.00 0.00 0.00 0.00 175.30 176.69 2ka4 n ALA 378 N -1.81 0.52 -1.00 2.13 0.00 -1.26 -5.03 120.51 114.06 2ka4 n ALA 378 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2ka4 n ALA 378 Cb 0.54 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.12 0.00 -4.68 0.00 3.41 -1.26 -5.14 113.62 105.83 2ka4 n SER 380 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2ka4 n SER 380 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ka4 s LEU 381 N 0.00 4.38 0.54 1.04 2.01 -1.26 -4.91 118.68 120.48 2ka4 s LEU 381 Ca 0.00 2.53 0.40 0.00 0.01 0.00 0.00 54.13 57.06 2ka4 s LEU 381 Cb 0.00 -3.55 1.59 0.00 0.01 0.00 0.00 46.19 44.24 2ka4 s LEU 381 CO 0.00 -0.96 1.74 -0.65 1.01 0.00 0.00 176.35 177.50 2ka4 h PRO 382 N 9.21 0.01 0.00 1.29 0.11 -2.04 -2.80 132.00 137.78 2ka4 h PRO 382 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2ka4 h PRO 382 Cb 1.21 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2ka4 h PRO 382 CO 0.94 0.01 -0.45 0.72 -0.21 0.00 0.00 178.00 179.01 2ka4 n HIS 383 N -4.14 0.00 -0.15 0.65 8.25 -1.26 -4.89 115.22 113.68 2ka4 n HIS 383 Ca 0.30 -0.58 -0.03 0.00 -0.26 0.00 0.00 57.72 57.16 2ka4 n HIS 383 Cb 1.43 -0.12 0.06 0.00 1.12 0.00 0.00 29.99 32.48 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 0.20 0.63 0.05 0.00 -0.00 -1.90 -1.00 114.38 112.35 2ka4 h ARG 385 Ca 0.24 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.98 60.14 2ka4 h ARG 385 Cb 0.33 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 2ka4 h ARG 385 CO -0.34 0.51 -0.02 1.15 -0.00 0.00 0.00 179.97 181.27 2ka4 h THR 386 N 0.63 1.07 -0.35 0.08 2.02 -1.67 -2.01 112.91 112.67 2ka4 h THR 386 Ca 0.15 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2ka4 h THR 386 Cb 0.12 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2ka4 h THR 386 CO -0.02 0.09 0.08 0.24 0.37 0.00 0.00 175.52 176.29 2ka4 h MET 387 N -0.22 0.57 -0.65 6.66 2.86 -1.19 -1.77 114.93 121.19 2ka4 h MET 387 Ca -0.01 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2ka4 h MET 387 Cb 0.20 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2ka4 h MET 387 CO 0.01 0.62 0.36 0.87 1.06 0.00 0.00 176.91 179.84 2ka4 h LYS 388 N 0.42 0.66 -0.62 1.72 1.57 -1.16 0.51 116.57 119.67 2ka4 h LYS 388 Ca 0.11 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2ka4 h LYS 388 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ka4 h LYS 388 CO 0.00 0.44 0.06 -0.91 -0.57 0.00 0.00 179.45 178.47 2ka4 h ASN 389 N 0.68 1.02 -0.29 0.86 2.35 -1.28 -1.30 115.58 117.63 2ka4 h ASN 389 Ca 0.28 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2ka4 h ASN 389 Cb 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2ka4 h ASN 389 CO -0.17 1.04 0.01 0.58 -1.65 0.00 0.00 177.43 177.25 2ka4 h VAL 390 N 0.96 1.25 -0.24 2.81 2.07 -0.76 -1.41 116.25 120.93 2ka4 h VAL 390 Ca 0.18 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2ka4 h VAL 390 Cb 0.48 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2ka4 h VAL 390 CO 0.02 0.29 0.09 -0.07 0.02 0.00 0.00 177.57 177.92 2ka4 h LEU 391 N 0.29 0.34 -0.74 2.57 3.38 -0.89 -0.21 115.31 120.05 2ka4 h LEU 391 Ca 0.08 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2ka4 h LEU 391 Cb 0.41 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2ka4 h LEU 391 CO 0.01 0.42 0.45 -1.13 0.09 0.00 0.00 178.44 178.29 2ka4 h ASN 392 N 0.24 0.73 0.26 -0.43 -1.24 -1.21 -0.33 115.58 113.60 2ka4 h ASN 392 Ca 0.08 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2ka4 h ASN 392 Cb 0.19 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2ka4 h ASN 392 CO -0.01 0.49 -0.12 -0.74 -1.29 0.00 0.00 177.43 175.76 2ka4 h HIS 393 N 0.87 -0.32 -0.91 0.67 2.76 -1.00 -2.97 115.15 114.25 2ka4 h HIS 393 Ca 0.31 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.62 2ka4 h HIS 393 Cb 0.07 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 2ka4 h HIS 393 CO -0.04 -0.19 0.59 0.52 -1.30 0.00 0.00 177.93 177.50 2ka4 h MET 394 N -0.36 0.69 0.00 5.26 2.86 -0.62 0.14 114.93 122.90 2ka4 h MET 394 Ca -0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2ka4 h MET 394 Cb 0.28 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2ka4 h MET 394 CO 0.06 0.46 0.00 2.41 1.06 0.00 0.00 176.91 180.90 2ka4 n THR 395 N -4.58 0.00 0.00 2.22 -1.04 -0.17 -3.09 114.28 107.62 2ka4 n THR 395 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2ka4 n THR 395 Cb 0.48 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -0.93 0.00 -2.09 -1.42 8.25 -0.32 -5.08 115.22 113.63 2ka4 n HIS 396 Ca 0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.18 2ka4 n HIS 396 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 0.62 1.07 0.00 0.00 6.02 -1.26 -4.70 117.38 119.12 2ka4 n GLN 398 Ca 0.01 -1.05 0.12 0.00 -0.01 0.00 0.00 57.00 56.08 2ka4 n GLN 398 Cb 0.42 -1.02 0.64 0.00 1.02 0.00 0.00 30.24 31.30 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 -0.20 2.28 -0.85 -1.58 0.00 -1.26 -4.95 120.51 113.95 2ka4 n ALA 399 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2ka4 n ALA 399 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.86 0.23 0.14 0.00 0.00 -1.26 -1.56 105.19 103.60 2ka4 n GLY 400 Ca 0.12 0.63 0.06 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 1.20 -0.14 1.61 5.02 -1.26 -4.42 118.16 120.17 2ka4 n LYS 401 Ca 0.00 -2.02 0.04 0.00 -2.02 0.00 0.00 58.31 54.30 2ka4 n LYS 401 Cb 0.00 -1.19 0.05 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 -0.52 0.00 0.00 177.40 176.88 2ka4 n ALA 402 N -0.96 1.93 -0.87 7.82 0.00 -0.60 -4.93 120.51 122.90 2ka4 n ALA 402 Ca 0.10 -1.50 -0.31 0.00 0.00 0.00 0.00 53.44 51.73 2ka4 n ALA 402 Cb 0.59 -0.25 0.15 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.71 0.00 -6.37 0.00 4.20 -1.99 -3.45 115.11 105.80 2ka4 h GLN 404 Ca -0.45 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.69 2ka4 h GLN 404 Cb 1.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.98 2ka4 h GLN 404 CO 0.46 0.16 0.86 0.08 -0.67 0.00 0.00 178.83 179.72 2ka4 s VAL 405 N -3.15 4.45 0.27 -0.54 1.01 -1.26 -4.95 120.40 116.23 2ka4 s VAL 405 Ca 0.03 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2ka4 s VAL 405 Cb 0.07 -4.43 0.26 0.00 0.00 0.00 0.00 36.38 32.29 2ka4 s VAL 405 CO 0.73 -0.55 1.80 0.00 0.00 0.00 0.00 175.10 177.08 2ka4 h ALA 406 N 8.31 1.41 0.00 5.51 0.00 -2.04 -2.60 119.26 129.86 2ka4 h ALA 406 Ca -0.21 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2ka4 h ALA 406 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ka4 h ALA 406 CO 1.05 0.07 -0.44 0.45 0.00 0.00 0.00 179.25 180.38 2ka4 h HIS 407 N 0.82 0.00 0.17 0.00 3.86 -1.98 -3.36 115.15 114.66 2ka4 h HIS 407 Ca 0.48 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 2ka4 h HIS 407 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2ka4 h HIS 407 CO -0.04 0.14 -0.08 0.00 0.86 0.00 0.00 177.93 178.81 2ka4 h ALA 409 N -1.88 1.54 0.21 0.00 0.00 -1.77 -0.28 119.26 117.08 2ka4 h ALA 409 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ka4 h ALA 409 Cb 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ka4 h ALA 409 CO 0.04 0.42 -0.10 0.66 0.00 0.00 0.00 179.25 180.26 2ka4 h SER 410 N 0.89 -0.24 -0.65 0.00 4.64 -1.71 -2.72 113.55 113.77 2ka4 h SER 410 Ca 0.25 -0.17 0.09 0.00 -0.47 0.00 0.00 61.79 61.50 2ka4 h SER 410 Cb -0.06 0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 2ka4 h SER 410 CO -0.06 0.04 0.28 0.28 -0.87 0.00 0.00 176.83 176.50 2ka4 h SER 411 N -0.52 0.33 -0.85 4.97 0.02 -0.96 0.34 113.55 116.88 2ka4 h SER 411 Ca -0.03 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2ka4 h SER 411 Cb 0.39 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 2ka4 h SER 411 CO 0.05 0.19 0.55 -0.09 -1.14 0.00 0.00 176.83 176.40 2ka4 h ARG 412 N 0.49 0.92 0.00 3.45 2.43 -1.01 -2.01 114.38 118.66 2ka4 h ARG 412 Ca 0.32 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2ka4 h ARG 412 Cb 0.36 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2ka4 h ARG 412 CO -0.28 0.61 -0.56 0.37 -1.51 0.00 0.00 179.97 178.59 2ka4 h GLN 413 N 0.95 0.37 -0.59 0.20 5.75 -1.08 -3.35 115.11 117.37 2ka4 h GLN 413 Ca 0.36 -0.41 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2ka4 h GLN 413 Cb 0.21 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2ka4 h GLN 413 CO -0.13 1.09 0.39 0.97 -2.65 0.00 0.00 178.83 178.49 2ka4 h ILE 414 N -0.17 1.15 -0.53 2.39 2.10 -0.55 -3.00 117.51 118.90 2ka4 h ILE 414 Ca -0.07 -0.27 0.01 0.00 1.08 0.00 0.00 64.86 65.60 2ka4 h ILE 414 Cb 1.29 0.29 -0.03 0.00 -1.09 0.00 0.00 36.82 37.28 2ka4 h ILE 414 CO 0.11 0.14 0.35 0.40 -1.08 0.00 0.00 178.15 178.08 2ka4 h ILE 415 N 0.79 1.14 0.00 2.19 2.04 -1.55 -2.74 117.51 119.39 2ka4 h ILE 415 Ca 0.21 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2ka4 h ILE 415 Cb -0.09 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2ka4 h ILE 415 CO -0.05 0.13 -0.00 0.28 0.00 0.00 0.00 178.15 178.51 2ka4 h SER 416 N 0.72 0.00 0.33 1.72 0.02 -1.65 -3.03 113.55 111.65 2ka4 h SER 416 Ca 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2ka4 h SER 416 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2ka4 h SER 416 CO -0.04 0.00 -0.16 -0.74 -1.14 0.00 0.00 176.83 174.75 2ka4 h HIS 417 N 0.00 -0.41 -0.38 3.45 -0.00 -1.50 -3.25 115.15 113.06 2ka4 h HIS 417 Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 2ka4 h HIS 417 Cb 0.03 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 2ka4 h HIS 417 CO 0.00 -0.07 0.26 2.35 -0.00 0.00 0.00 177.93 180.48 2ka4 h TRP 418 N -0.86 0.25 0.00 5.26 2.91 -1.66 -0.76 115.95 121.09 2ka4 h TRP 418 Ca -0.04 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.98 2ka4 h TRP 418 Cb 0.52 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2ka4 h TRP 418 CO 0.03 0.13 0.00 1.63 -1.03 0.00 0.00 178.44 179.20 2ka4 n LYS 419 N -4.47 0.10 0.00 2.65 5.02 -1.16 -4.17 118.16 116.13 2ka4 n LYS 419 Ca 0.05 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2ka4 n LYS 419 Cb 0.28 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ka4 n ASN 420 N -1.90 2.55 -4.77 4.39 3.02 -0.64 -5.09 115.26 112.82 2ka4 n ASN 420 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 2ka4 n ASN 420 Cb 0.19 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.64 0.00 -1.78 0.00 -2.24 -1.26 -4.95 114.28 104.70 2ka4 n THR 422 Ca 0.01 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2ka4 n THR 422 Cb 0.44 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.16 4.04 0.00 -0.78 3.52 -1.26 -4.90 118.95 119.41 2ka4 s ARG 423 Ca 0.00 2.40 0.11 0.00 -0.13 0.00 0.00 55.73 58.11 2ka4 s ARG 423 Cb 0.00 -4.13 0.51 0.00 -1.56 0.00 0.00 34.95 29.77 2ka4 s ARG 423 CO 0.00 -1.05 1.33 -2.39 -0.81 0.00 0.00 175.30 172.38 2ka4 n HIS 424 N 7.87 0.00 -0.87 5.12 1.44 -1.26 -2.86 115.22 124.66 2ka4 n HIS 424 Ca 0.20 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.95 2ka4 n HIS 424 Cb 0.42 -0.44 0.06 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.44 1.58 -4.68 4.39 5.75 -1.26 -4.86 116.55 116.03 2ka4 n ASP 425 Ca 0.03 -2.32 -0.46 0.00 -0.01 0.00 0.00 54.79 52.03 2ka4 n ASP 425 Cb 0.12 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 39.96 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 6.83 1.20 0.02 0.00 0.13 -1.97 -1.61 132.00 136.60 2ka4 h PRO 427 Ca -0.46 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2ka4 h PRO 427 Cb 1.25 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2ka4 h PRO 427 CO 0.91 0.86 -0.01 0.28 -0.23 0.00 0.00 178.00 179.81 2ka4 h VAL 428 N 1.21 1.36 0.00 1.56 2.07 -1.91 -3.37 116.25 117.17 2ka4 h VAL 428 Ca 0.31 -1.87 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 2ka4 h VAL 428 Cb -0.00 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2ka4 h VAL 428 CO -0.05 0.43 -0.46 0.00 0.02 0.00 0.00 177.57 177.51 2ka4 h LEU 430 N 0.00 -1.28 -1.40 0.00 5.85 -1.45 0.23 115.31 117.26 2ka4 h LEU 430 Ca -0.00 0.27 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2ka4 h LEU 430 Cb 0.87 0.67 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 2ka4 h LEU 430 CO 0.06 -0.29 0.45 1.55 -0.34 0.00 0.00 178.44 179.87 2ka4 h PRO 431 N -0.06 0.72 -0.16 5.25 0.13 -1.83 0.66 132.00 136.71 2ka4 h PRO 431 Ca 0.31 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.22 2ka4 h PRO 431 Cb 0.58 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 31.56 2ka4 h PRO 431 CO -0.86 0.48 -0.57 -0.07 -0.23 0.00 0.00 178.00 176.74 2ka4 h LEU 432 N 0.75 0.78 -1.70 1.56 4.07 -1.06 0.73 115.31 120.43 2ka4 h LEU 432 Ca 0.29 -0.61 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 2ka4 h LEU 432 Cb 0.20 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2ka4 h LEU 432 CO -0.09 1.25 -0.05 0.11 -1.08 0.00 0.00 178.44 178.58 2ka4 h LYS 433 N 0.35 0.12 0.03 1.13 1.57 -0.27 -1.39 116.57 118.12 2ka4 h LYS 433 Ca -0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2ka4 h LYS 433 Cb 1.20 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.50 2ka4 h LYS 433 CO 0.12 0.19 -0.46 -0.91 -0.57 0.00 0.00 179.45 177.82 2ka4 h ASN 434 N 0.12 0.35 -0.20 0.86 2.35 -0.80 -3.18 115.58 115.08 2ka4 h ASN 434 Ca 0.03 -0.84 0.06 0.00 -0.55 0.00 0.00 56.30 55.00 2ka4 h ASN 434 Cb 0.18 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2ka4 h ASN 434 CO 0.01 1.15 0.30 0.00 -1.65 0.00 0.00 177.43 177.23 2ka4 h ALA 435 N 0.20 1.74 -0.37 -0.83 0.00 -0.30 -1.30 119.26 118.41 2ka4 h ALA 435 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ka4 h ALA 435 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ka4 h ALA 435 CO 0.09 -0.40 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 2ka4 n SER 436 N -3.51 3.14 -0.82 0.00 3.41 -0.57 -4.49 113.62 110.78 2ka4 n SER 436 Ca 0.02 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2ka4 n SER 436 Cb 0.42 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.48 0.12 -4.74 4.04 2.03 -0.66 -5.05 116.55 112.77 2ka4 n ASP 437 Ca 0.14 -1.79 -0.41 0.00 0.52 0.00 0.00 54.79 53.25 2ka4 n ASP 437 Cb 0.50 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.75 2ka4 n ASP 437 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2ka4 s LYS 438 N 0.00 4.56 0.00 -0.67 2.47 -0.58 -4.98 119.74 120.54 2ka4 s LYS 438 Ca 0.09 1.79 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 2ka4 s LYS 438 Cb 0.10 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2ka4 s LYS 438 CO -0.04 0.04 0.38 -2.13 0.16 0.00 0.00 175.35 173.75