#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 -1.66 0.00 -2.24 -1.26 -4.52 114.28 104.60 2ka4 n THR 341 Ca 0.00 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 2ka4 n THR 341 Cb 0.00 0.52 0.19 0.00 -2.10 0.00 0.00 70.33 68.93 2ka4 n THR 341 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ka4 s GLY 342 N -0.27 1.69 0.41 3.38 0.00 -1.26 -4.40 107.32 106.87 2ka4 s GLY 342 Ca 0.00 -1.00 0.27 0.00 0.00 0.00 0.00 44.72 43.99 2ka4 s GLY 342 CO 0.00 -0.25 1.82 -0.56 0.00 0.00 0.00 173.10 174.10 2ka4 h PRO 343 N -1.82 0.00 0.00 2.90 0.13 -1.99 0.12 132.00 131.34 2ka4 h PRO 343 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ka4 h PRO 343 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ka4 h PRO 343 CO 0.42 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 179.98 2ka4 h THR 344 N 0.00 0.00 0.00 1.56 1.35 -2.01 -3.39 112.91 110.42 2ka4 h THR 344 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2ka4 h THR 344 Cb 0.05 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2ka4 h THR 344 CO 0.00 0.00 -0.11 0.00 -0.25 0.00 0.00 175.52 175.16 2ka4 n ALA 345 N -1.82 1.76 -0.67 6.62 0.00 -0.66 -5.04 120.51 120.71 2ka4 n ALA 345 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2ka4 n ALA 345 Cb 0.33 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.36 -0.02 -0.34 0.00 -0.08 0.33 -4.53 116.55 110.55 2ka4 n ASP 346 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 2ka4 n ASP 346 Cb 0.05 -0.00 0.40 0.00 2.34 0.00 0.00 41.12 43.91 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 0.67 0.54 0.09 -0.67 0.11 -1.86 0.95 132.00 131.83 2ka4 h PRO 347 Ca -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2ka4 h PRO 347 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2ka4 h PRO 347 CO 0.00 0.35 -0.04 1.49 -0.21 0.00 0.00 178.00 179.59 2ka4 h GLU 348 N 0.55 -0.12 -0.41 1.05 4.57 -1.97 -2.87 114.58 115.39 2ka4 h GLU 348 Ca 0.65 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.80 2ka4 h GLU 348 Cb 1.28 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 2ka4 h GLU 348 CO -0.47 0.21 0.12 -0.22 -1.18 0.00 0.00 179.01 177.47 2ka4 h LYS 349 N -0.46 0.64 -0.73 1.92 3.64 -1.78 -2.82 116.57 116.99 2ka4 h LYS 349 Ca -0.01 -0.14 0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2ka4 h LYS 349 Cb 0.38 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.02 2ka4 h LYS 349 CO 0.02 0.65 0.24 -0.09 -2.27 0.00 0.00 179.45 178.00 2ka4 h ARG 350 N 0.52 0.36 -0.51 1.90 1.12 -0.87 -0.82 114.38 116.07 2ka4 h ARG 350 Ca 0.13 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.87 2ka4 h ARG 350 Cb 0.28 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 2ka4 h ARG 350 CO -0.00 0.24 -0.12 -0.22 -3.11 0.00 0.00 179.97 176.75 2ka4 h LYS 351 N 0.37 0.97 -0.22 0.20 3.64 -1.42 -2.90 116.57 117.22 2ka4 h LYS 351 Ca 0.40 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2ka4 h LYS 351 Cb 0.63 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2ka4 h LYS 351 CO -0.43 1.03 0.14 -0.07 -2.27 0.00 0.00 179.45 177.86 2ka4 h LEU 352 N 0.86 0.26 -0.53 5.20 3.38 -0.91 -0.65 115.31 122.92 2ka4 h LEU 352 Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2ka4 h LEU 352 Cb 0.68 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2ka4 h LEU 352 CO 0.05 0.19 0.09 0.16 0.09 0.00 0.00 178.44 179.03 2ka4 h ILE 353 N 0.30 1.25 -0.43 1.22 -2.65 -1.48 -2.58 117.51 113.14 2ka4 h ILE 353 Ca 0.08 -0.94 0.07 0.00 1.03 0.00 0.00 64.86 65.10 2ka4 h ILE 353 Cb -0.03 0.83 -0.06 0.00 -2.05 0.00 0.00 36.82 35.51 2ka4 h ILE 353 CO -0.02 0.34 0.07 1.56 0.03 0.00 0.00 178.15 180.13 2ka4 h GLN 354 N 0.77 0.19 -0.21 0.16 4.20 -1.30 -1.07 115.11 117.84 2ka4 h GLN 354 Ca 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2ka4 h GLN 354 Cb 0.39 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2ka4 h GLN 354 CO 0.01 0.12 0.11 1.96 -0.67 0.00 0.00 178.83 180.36 2ka4 h GLN 355 N 0.19 0.29 -0.43 1.46 4.20 -1.02 -1.47 115.11 118.33 2ka4 h GLN 355 Ca 0.21 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2ka4 h GLN 355 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2ka4 h GLN 355 CO -0.29 0.30 0.15 0.37 -0.67 0.00 0.00 178.83 178.68 2ka4 h GLN 356 N 0.21 0.67 0.13 1.46 4.15 -1.29 -1.48 115.11 118.97 2ka4 h GLN 356 Ca 0.07 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.37 2ka4 h GLN 356 Cb 0.10 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 2ka4 h GLN 356 CO -0.01 0.64 -0.38 1.25 -1.93 0.00 0.00 178.83 178.40 2ka4 h LEU 357 N 0.56 -1.12 -0.93 -2.39 6.46 -1.04 -1.78 115.31 115.07 2ka4 h LEU 357 Ca 0.14 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2ka4 h LEU 357 Cb 0.24 0.42 -0.05 0.00 -0.73 0.00 0.00 40.66 40.55 2ka4 h LEU 357 CO -0.01 -0.46 0.57 0.58 -0.62 0.00 0.00 178.44 178.50 2ka4 h VAL 358 N -0.62 1.25 -0.97 1.05 2.07 -1.25 -2.18 116.25 115.60 2ka4 h VAL 358 Ca 0.02 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2ka4 h VAL 358 Cb 0.65 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2ka4 h VAL 358 CO -0.22 0.26 0.63 -0.07 0.02 0.00 0.00 177.57 178.20 2ka4 h LEU 359 N 1.28 1.06 -0.38 2.57 3.38 -0.91 -1.12 115.31 121.18 2ka4 h LEU 359 Ca 0.33 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 2ka4 h LEU 359 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2ka4 h LEU 359 CO -0.06 0.73 0.02 -0.07 0.09 0.00 0.00 178.44 179.14 2ka4 h LEU 360 N 1.23 0.65 -0.75 1.67 3.38 -0.92 -1.36 115.31 119.20 2ka4 h LEU 360 Ca 0.38 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2ka4 h LEU 360 Cb -0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2ka4 h LEU 360 CO -0.12 0.78 0.45 -0.07 0.09 0.00 0.00 178.44 179.57 2ka4 h LEU 361 N 0.49 0.70 0.81 1.67 3.38 -0.90 0.44 115.31 121.91 2ka4 h LEU 361 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2ka4 h LEU 361 Cb 0.44 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ka4 h LEU 361 CO 0.02 0.46 -0.39 -0.74 0.09 0.00 0.00 178.44 177.87 2ka4 h HIS 362 N 0.83 -1.01 -0.48 1.13 2.76 -1.12 -3.28 115.15 113.98 2ka4 h HIS 362 Ca 0.32 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.54 2ka4 h HIS 362 Cb 0.14 0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 2ka4 h HIS 362 CO -0.05 -0.62 0.32 0.00 -1.30 0.00 0.00 177.93 176.29 2ka4 h ALA 363 N -1.12 2.01 0.01 5.26 0.00 -0.98 -0.72 119.26 123.71 2ka4 h ALA 363 Ca -0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ka4 h ALA 363 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2ka4 h ALA 363 CO 0.18 -0.10 -0.18 1.25 0.00 0.00 0.00 179.25 180.40 2ka4 h HIS 364 N 0.34 -0.47 0.05 0.00 6.17 -0.97 0.10 115.15 120.37 2ka4 h HIS 364 Ca 0.21 0.02 -0.23 0.00 0.71 0.00 0.00 60.37 61.08 2ka4 h HIS 364 Cb 0.41 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.54 2ka4 h HIS 364 CO -0.00 -0.26 -1.04 -0.22 0.71 0.00 0.00 177.93 177.12 2ka4 h LYS 365 N -0.30 0.22 -0.46 5.26 3.64 -1.63 -3.27 116.57 120.03 2ka4 h LYS 365 Ca 0.05 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 2ka4 h LYS 365 Cb 0.37 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2ka4 h LYS 365 CO -0.17 1.08 0.16 0.00 -2.27 0.00 0.00 179.45 178.25 2ka4 h GLN 367 N 0.67 1.17 -0.31 0.00 4.15 -0.84 0.92 115.11 120.87 2ka4 h GLN 367 Ca 0.16 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 2ka4 h GLN 367 Cb 0.18 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2ka4 h GLN 367 CO -0.01 0.83 0.05 0.00 -1.93 0.00 0.00 178.83 177.77 2ka4 h ARG 368 N 1.18 0.51 -0.46 1.69 3.08 -1.42 -0.99 114.38 117.96 2ka4 h ARG 368 Ca 0.31 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2ka4 h ARG 368 Cb -0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2ka4 h ARG 368 CO -0.06 0.60 0.25 -0.09 -1.07 0.00 0.00 179.97 179.60 2ka4 h ARG 369 N 0.33 0.48 -0.07 0.04 2.43 -0.85 -1.80 114.38 114.94 2ka4 h ARG 369 Ca 0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2ka4 h ARG 369 Cb 0.34 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2ka4 h ARG 369 CO 0.01 0.31 -0.03 1.49 -1.51 0.00 0.00 179.97 180.24 2ka4 h GLU 370 N 0.49 0.14 -0.22 0.20 4.81 -0.75 -3.20 114.58 116.05 2ka4 h GLU 370 Ca 0.20 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2ka4 h GLU 370 Cb 0.08 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2ka4 h GLU 370 CO -0.12 0.51 0.00 1.96 -0.73 0.00 0.00 179.01 180.63 2ka4 h GLN 371 N -0.24 0.32 0.00 1.92 1.08 -1.14 -2.04 115.11 115.01 2ka4 h GLN 371 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2ka4 h GLN 371 Cb 0.47 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2ka4 h GLN 371 CO 0.01 0.35 0.00 0.00 -0.95 0.00 0.00 178.83 178.24 2ka4 h ALA 372 N 1.70 1.00 -0.21 3.87 0.00 -1.31 -2.25 119.26 122.06 2ka4 h ALA 372 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2ka4 h ALA 372 Cb 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.70 2ka4 h ALA 372 CO 0.00 0.00 -0.90 -1.71 0.00 0.00 0.00 179.25 176.65 2ka4 n ASN 373 N -2.34 1.86 0.00 0.00 5.15 -0.81 -5.07 115.26 114.05 2ka4 n ASN 373 Ca -0.01 -2.71 0.00 0.00 -0.60 0.00 0.00 54.58 51.27 2ka4 n ASN 373 Cb 0.08 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ka4 n GLY 374 N -0.31 1.39 1.06 8.20 0.00 -0.85 -3.03 105.19 111.64 2ka4 n GLY 374 Ca 0.15 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 2ka4 n GLY 374 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ka4 n GLU 375 N 0.00 0.00 -1.60 1.61 2.13 -1.22 -4.19 120.64 117.37 2ka4 n GLU 375 Ca 0.00 -1.15 -0.46 0.00 0.66 0.00 0.00 57.16 56.22 2ka4 n GLU 375 Cb 0.00 0.30 -0.02 0.00 0.27 0.00 0.00 31.44 31.99 2ka4 n GLU 375 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2ka4 n VAL 376 N 0.12 1.60 -0.21 6.31 3.14 -1.17 -4.91 118.33 123.21 2ka4 n VAL 376 Ca -0.17 -0.40 -0.12 0.00 -2.96 0.00 0.00 64.34 60.69 2ka4 n VAL 376 Cb 0.79 -1.01 0.10 0.00 -1.06 0.00 0.00 33.84 32.66 2ka4 n VAL 376 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2ka4 n ARG 377 N 1.12 1.74 0.16 1.45 3.00 -1.26 -4.61 116.66 118.27 2ka4 n ARG 377 Ca 0.11 -1.65 0.13 0.00 -0.01 0.00 0.00 57.85 56.43 2ka4 n ARG 377 Cb 0.30 -1.66 0.55 0.00 0.00 0.00 0.00 32.46 31.65 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ka4 h ALA 378 N 1.52 1.00 -4.13 7.54 0.00 -2.02 -3.46 119.26 119.72 2ka4 h ALA 378 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.89 2ka4 h ALA 378 Cb 2.00 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.91 2ka4 h ALA 378 CO 0.59 0.00 0.27 0.00 0.00 0.00 0.00 179.25 180.11 2ka4 n SER 380 N -3.47 0.00 -4.69 0.00 3.41 -1.26 -5.12 113.62 102.48 2ka4 n SER 380 Ca 0.13 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.72 2ka4 n SER 380 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ka4 s LEU 381 N 0.00 4.40 0.59 1.04 1.98 -1.26 -4.89 118.68 120.54 2ka4 s LEU 381 Ca 0.00 2.71 0.31 0.00 -2.89 0.00 0.00 54.13 54.26 2ka4 s LEU 381 Cb 0.00 -3.56 1.29 0.00 0.66 0.00 0.00 46.19 44.58 2ka4 s LEU 381 CO 0.00 -0.99 1.63 -0.65 -1.89 0.00 0.00 176.35 174.46 2ka4 h PRO 382 N 8.63 0.00 0.00 0.98 0.11 -2.04 -2.21 132.00 137.47 2ka4 h PRO 382 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ka4 h PRO 382 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ka4 h PRO 382 CO 0.94 0.00 -0.22 0.72 -0.21 0.00 0.00 178.00 179.24 2ka4 n HIS 383 N -3.59 0.00 -0.04 0.65 8.25 -1.26 -4.86 115.22 114.37 2ka4 n HIS 383 Ca 0.19 -0.48 -0.08 0.00 -0.26 0.00 0.00 57.72 57.08 2ka4 n HIS 383 Cb 1.17 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 32.17 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 -0.18 1.16 -0.02 0.00 -0.00 -1.89 -0.09 114.38 113.37 2ka4 h ARG 385 Ca 0.13 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.98 60.04 2ka4 h ARG 385 Cb 0.37 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.97 30.07 2ka4 h ARG 385 CO -0.32 0.77 0.01 1.15 -0.00 0.00 0.00 179.97 181.57 2ka4 h THR 386 N 1.20 1.12 -0.29 0.08 2.02 -1.65 -1.96 112.91 113.43 2ka4 h THR 386 Ca 0.42 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2ka4 h THR 386 Cb 0.12 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2ka4 h THR 386 CO -0.16 0.10 0.04 0.24 0.37 0.00 0.00 175.52 176.10 2ka4 h MET 387 N -0.12 0.48 -0.86 6.66 2.86 -0.94 -2.54 114.93 120.47 2ka4 h MET 387 Ca 0.01 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 2ka4 h MET 387 Cb 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 2ka4 h MET 387 CO -0.00 0.60 0.50 0.87 1.06 0.00 0.00 176.91 179.94 2ka4 h LYS 388 N 0.30 0.81 -0.31 1.72 1.57 -0.94 0.23 116.57 119.95 2ka4 h LYS 388 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2ka4 h LYS 388 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2ka4 h LYS 388 CO 0.01 0.53 0.12 -0.91 -0.57 0.00 0.00 179.45 178.63 2ka4 h ASN 389 N 0.83 0.43 -0.57 0.86 2.35 -1.28 -1.34 115.58 116.87 2ka4 h ASN 389 Ca 0.41 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 2ka4 h ASN 389 Cb 0.38 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2ka4 h ASN 389 CO -0.25 0.48 0.06 0.58 -1.65 0.00 0.00 177.43 176.65 2ka4 h VAL 390 N 0.35 1.26 -0.07 2.81 2.07 -0.91 -2.47 116.25 119.29 2ka4 h VAL 390 Ca 0.10 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2ka4 h VAL 390 Cb 0.19 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2ka4 h VAL 390 CO -0.01 0.37 -0.01 -0.07 0.02 0.00 0.00 177.57 177.87 2ka4 h LEU 391 N 0.86 0.13 -1.02 2.57 3.38 -0.53 0.31 115.31 121.01 2ka4 h LEU 391 Ca 0.17 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2ka4 h LEU 391 Cb 0.46 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2ka4 h LEU 391 CO 0.02 0.46 0.66 -1.13 0.09 0.00 0.00 178.44 178.53 2ka4 h ASN 392 N -0.21 1.10 0.30 -0.43 -1.24 -1.29 -1.57 115.58 112.25 2ka4 h ASN 392 Ca 0.02 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2ka4 h ASN 392 Cb 0.40 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.20 2ka4 h ASN 392 CO 0.01 0.76 -0.14 -0.74 -1.29 0.00 0.00 177.43 176.02 2ka4 h HIS 393 N 1.28 -0.37 -0.91 0.67 2.76 -1.30 -3.15 115.15 114.13 2ka4 h HIS 393 Ca 0.39 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.75 2ka4 h HIS 393 Cb -0.02 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 2ka4 h HIS 393 CO -0.00 -0.15 0.60 0.52 -1.30 0.00 0.00 177.93 177.60 2ka4 h MET 394 N -0.53 0.47 0.00 5.26 2.86 -0.58 0.42 114.93 122.84 2ka4 h MET 394 Ca -0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2ka4 h MET 394 Cb 0.39 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2ka4 h MET 394 CO 0.07 0.31 0.00 2.41 1.06 0.00 0.00 176.91 180.76 2ka4 n THR 395 N -4.55 1.11 0.00 2.22 -1.04 -0.62 -3.34 114.28 108.05 2ka4 n THR 395 Ca 0.20 0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 2ka4 n THR 395 Cb 0.65 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 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 -2.07 0.00 -1.77 -1.42 8.25 -0.46 -5.09 115.22 112.66 2ka4 n HIS 396 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2ka4 n HIS 396 Cb 0.11 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 2.30 -0.38 0.22 0.00 6.02 -1.26 -4.71 117.38 119.57 2ka4 n GLN 398 Ca 0.09 -0.39 0.12 0.00 -0.01 0.00 0.00 57.00 56.81 2ka4 n GLN 398 Cb 0.37 -0.88 0.21 0.00 1.02 0.00 0.00 30.24 30.96 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka4 h ALA 399 N 0.00 0.99 -0.02 -1.58 0.00 -1.94 -3.48 119.26 113.22 2ka4 h ALA 399 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ka4 h ALA 399 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ka4 h ALA 399 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2ka4 n GLY 400 N 1.01 1.99 0.08 0.00 0.00 -1.26 -1.43 105.19 105.58 2ka4 n GLY 400 Ca 0.04 0.47 0.04 0.00 0.00 0.00 0.00 46.02 46.57 2ka4 n GLY 400 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ka4 n LYS 401 N 6.54 0.06 0.00 1.61 2.85 -1.26 -1.63 118.16 126.32 2ka4 n LYS 401 Ca 0.00 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 2ka4 n LYS 401 Cb 0.00 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.55 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ka4 n ALA 402 N -1.52 2.01 -1.74 0.58 0.00 -0.52 -5.08 120.51 114.24 2ka4 n ALA 402 Ca -0.01 -0.97 -0.37 0.00 0.00 0.00 0.00 53.44 52.09 2ka4 n ALA 402 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.66 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 0.98 0.00 -5.92 0.00 3.07 -1.96 -3.44 115.11 107.84 2ka4 h GLN 404 Ca -0.51 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 57.62 2ka4 h GLN 404 Cb 1.31 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 28.76 2ka4 h GLN 404 CO 0.55 0.00 0.44 0.08 0.09 0.00 0.00 178.83 179.99 2ka4 s VAL 405 N -3.13 4.58 0.36 1.86 1.01 -1.26 -4.95 120.40 118.87 2ka4 s VAL 405 Ca 0.10 0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.74 2ka4 s VAL 405 Cb 0.10 -4.36 0.33 0.00 0.00 0.00 0.00 36.38 32.45 2ka4 s VAL 405 CO 0.62 -0.75 1.86 0.00 0.00 0.00 0.00 175.10 176.83 2ka4 h ALA 406 N 9.00 1.89 0.00 5.51 0.00 -2.02 -2.55 119.26 131.08 2ka4 h ALA 406 Ca -0.24 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 2ka4 h ALA 406 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ka4 h ALA 406 CO 0.98 -0.14 -0.73 0.45 0.00 0.00 0.00 179.25 179.81 2ka4 h HIS 407 N 0.65 0.00 0.15 0.00 3.86 -1.98 -3.36 115.15 114.46 2ka4 h HIS 407 Ca 0.46 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.66 2ka4 h HIS 407 Cb 0.81 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 2ka4 h HIS 407 CO -0.00 0.62 -0.10 0.00 0.86 0.00 0.00 177.93 179.31 2ka4 h ALA 409 N -1.73 1.58 0.25 0.00 0.00 -1.79 -0.44 119.26 117.13 2ka4 h ALA 409 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ka4 h ALA 409 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ka4 h ALA 409 CO 0.02 0.39 -0.12 1.03 0.00 0.00 0.00 179.25 180.56 2ka4 h SER 410 N 0.80 -0.28 -0.51 0.00 0.87 -1.69 -2.38 113.55 110.35 2ka4 h SER 410 Ca 0.22 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2ka4 h SER 410 Cb -0.09 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 2ka4 h SER 410 CO -0.05 -0.11 0.30 0.28 -0.53 0.00 0.00 176.83 176.72 2ka4 h SER 411 N -0.44 0.47 -0.75 6.23 0.02 -0.49 0.64 113.55 119.23 2ka4 h SER 411 Ca -0.03 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2ka4 h SER 411 Cb 0.33 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 2ka4 h SER 411 CO 0.06 0.33 0.43 0.03 -1.14 0.00 0.00 176.83 176.54 2ka4 h ARG 412 N 0.59 0.74 -0.17 3.45 3.08 -1.03 -1.76 114.38 119.28 2ka4 h ARG 412 Ca 0.21 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 60.04 2ka4 h ARG 412 Cb 0.04 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.93 2ka4 h ARG 412 CO -0.10 0.49 -0.56 0.37 -1.07 0.00 0.00 179.97 179.09 2ka4 h GLN 413 N 0.76 0.67 -0.79 0.04 5.75 -1.06 -3.28 115.11 117.20 2ka4 h GLN 413 Ca 0.34 -0.50 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2ka4 h GLN 413 Cb 0.25 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 2ka4 h GLN 413 CO -0.21 1.12 0.46 0.97 -2.65 0.00 0.00 178.83 178.53 2ka4 h ILE 414 N 0.36 1.23 -0.26 2.39 2.10 -0.48 -2.93 117.51 119.91 2ka4 h ILE 414 Ca -0.02 -0.51 -0.00 0.00 1.08 0.00 0.00 64.86 65.40 2ka4 h ILE 414 Cb 1.19 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.04 2ka4 h ILE 414 CO 0.12 0.24 0.16 0.40 -1.08 0.00 0.00 178.15 177.99 2ka4 h ILE 415 N 1.08 1.10 -0.20 2.19 2.04 -1.46 -2.97 117.51 119.29 2ka4 h ILE 415 Ca 0.28 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2ka4 h ILE 415 Cb -0.02 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2ka4 h ILE 415 CO -0.05 0.10 0.22 0.28 0.00 0.00 0.00 178.15 178.70 2ka4 h SER 416 N 0.33 0.00 0.48 1.72 0.02 -1.58 -1.93 113.55 112.60 2ka4 h SER 416 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2ka4 h SER 416 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2ka4 h SER 416 CO -0.02 0.00 -0.23 -0.74 -1.14 0.00 0.00 176.83 174.70 2ka4 h HIS 417 N 0.00 -0.60 -0.43 3.45 -0.00 -1.50 -3.30 115.15 112.77 2ka4 h HIS 417 Ca 0.10 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 2ka4 h HIS 417 Cb 0.54 0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 2ka4 h HIS 417 CO 0.00 -0.37 0.29 2.35 -0.00 0.00 0.00 177.93 180.20 2ka4 h TRP 418 N -1.05 0.28 -0.06 5.26 2.91 -1.61 -0.68 115.95 121.00 2ka4 h TRP 418 Ca -0.07 0.01 0.02 0.00 1.13 0.00 0.00 58.89 59.98 2ka4 h TRP 418 Cb 0.50 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 2ka4 h TRP 418 CO 0.01 0.15 0.13 0.87 -1.03 0.00 0.00 178.44 178.57 2ka4 h LYS 419 N 0.28 0.00 0.00 2.65 1.57 -1.43 -3.34 116.57 116.30 2ka4 h LYS 419 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2ka4 h LYS 419 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ka4 h LYS 419 CO -0.04 0.00 -0.54 0.09 -0.57 0.00 0.00 179.45 178.39 2ka4 n ASN 420 N -3.36 2.68 -4.77 0.86 3.02 -0.56 -5.09 115.26 108.05 2ka4 n ASN 420 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 2ka4 n ASN 420 Cb 0.21 0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 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 1.03 0.00 -1.65 0.00 -2.24 -1.26 -4.95 114.28 105.21 2ka4 n THR 422 Ca 0.01 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2ka4 n THR 422 Cb 0.41 1.32 -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 -0.18 3.81 0.00 -0.78 3.52 -1.26 -4.89 118.95 119.17 2ka4 s ARG 423 Ca 0.00 2.43 0.09 0.00 -0.13 0.00 0.00 55.73 58.11 2ka4 s ARG 423 Cb 0.00 -4.23 0.41 0.00 -1.56 0.00 0.00 34.95 29.57 2ka4 s ARG 423 CO 0.00 -1.33 1.23 -2.39 -0.81 0.00 0.00 175.30 172.00 2ka4 n HIS 424 N 8.90 0.00 -0.88 5.12 1.44 -1.26 -2.80 115.22 125.74 2ka4 n HIS 424 Ca 0.23 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.97 2ka4 n HIS 424 Cb 0.42 -0.41 0.05 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 -1.41 1.40 -4.68 4.39 5.75 -1.26 -4.87 116.55 115.87 2ka4 n ASP 425 Ca 0.03 -2.17 -0.46 0.00 -0.01 0.00 0.00 54.79 52.18 2ka4 n ASP 425 Cb 0.09 -0.17 -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 7.06 0.89 0.04 0.00 0.13 -1.97 -1.44 132.00 136.71 2ka4 h PRO 427 Ca -0.46 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2ka4 h PRO 427 Cb 1.25 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ka4 h PRO 427 CO 0.91 0.64 -0.02 0.28 -0.23 0.00 0.00 178.00 179.58 2ka4 h VAL 428 N 0.89 1.34 0.00 1.56 2.07 -1.90 -3.35 116.25 116.87 2ka4 h VAL 428 Ca 0.24 -1.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 2ka4 h VAL 428 Cb -0.02 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2ka4 h VAL 428 CO -0.04 0.39 -0.45 0.00 0.02 0.00 0.00 177.57 177.48 2ka4 h LEU 430 N 0.00 -1.37 -1.57 0.00 5.85 -1.39 0.19 115.31 117.02 2ka4 h LEU 430 Ca -0.00 0.29 0.05 0.00 0.84 0.00 0.00 57.88 59.05 2ka4 h LEU 430 Cb 0.85 0.71 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 2ka4 h LEU 430 CO 0.06 -0.29 0.36 1.55 -0.34 0.00 0.00 178.44 179.77 2ka4 h PRO 431 N -0.05 0.53 -0.07 5.25 0.13 -1.82 -0.00 132.00 135.96 2ka4 h PRO 431 Ca 0.31 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 65.25 2ka4 h PRO 431 Cb 0.58 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.60 2ka4 h PRO 431 CO -0.89 0.35 -0.58 -0.07 -0.23 0.00 0.00 178.00 176.57 2ka4 h LEU 432 N 0.54 0.63 -1.80 1.56 4.07 -1.07 0.27 115.31 119.51 2ka4 h LEU 432 Ca 0.23 -0.68 -0.00 0.00 0.08 0.00 0.00 57.88 57.50 2ka4 h LEU 432 Cb 0.21 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2ka4 h LEU 432 CO -0.06 1.21 0.08 0.11 -1.08 0.00 0.00 178.44 178.70 2ka4 h LYS 433 N 0.09 0.21 0.05 1.13 1.57 -0.38 -1.34 116.57 117.90 2ka4 h LYS 433 Ca -0.05 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 2ka4 h LYS 433 Cb 1.24 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.52 2ka4 h LYS 433 CO 0.12 0.16 -0.60 -0.97 -0.57 0.00 0.00 179.45 177.58 2ka4 h ASN 434 N 0.21 0.44 -0.16 0.86 -0.73 -0.97 -2.92 115.58 112.31 2ka4 h ASN 434 Ca 0.06 -0.85 0.05 0.00 1.87 0.00 0.00 56.30 57.42 2ka4 h ASN 434 Cb 0.01 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 2ka4 h ASN 434 CO -0.01 1.24 0.23 0.00 -0.37 0.00 0.00 177.43 178.52 2ka4 h ALA 435 N 0.20 1.68 -0.25 1.57 0.00 -0.27 -1.97 119.26 120.22 2ka4 h ALA 435 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ka4 h ALA 435 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ka4 h ALA 435 CO 0.12 -0.31 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 2ka4 n SER 436 N -3.58 2.70 -4.82 0.00 3.41 -0.57 -5.05 113.62 105.73 2ka4 n SER 436 Ca 0.01 -2.05 -0.32 0.00 -0.26 0.00 0.00 58.87 56.25 2ka4 n SER 436 Cb 0.34 -0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ka4 s ASP 437 N -1.06 6.03 0.51 4.04 -1.08 -0.74 -5.00 116.67 119.37 2ka4 s ASP 437 Ca 0.18 1.72 0.30 0.00 -0.52 0.00 0.00 52.55 54.22 2ka4 s ASP 437 Cb 0.10 -2.52 1.15 0.00 -1.46 0.00 0.00 42.92 40.18 2ka4 s ASP 437 CO 0.11 -1.00 1.91 0.11 0.52 0.00 0.00 175.17 176.82 2ka4 h LYS 438 N 0.51 0.00 0.00 4.34 1.79 -1.92 -3.50 116.57 117.79 2ka4 h LYS 438 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2ka4 h LYS 438 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2ka4 h LYS 438 CO 0.59 0.08 0.00 -2.13 -1.08 0.00 0.00 179.45 176.91