#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 0.00 0.00 -2.24 -1.26 -5.08 114.28 105.70 2ka4 n THR 341 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ka4 n THR 341 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2ka4 n THR 341 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ka4 n GLY 342 N 0.58 -0.57 0.30 3.38 0.00 -1.26 -4.92 105.19 102.69 2ka4 n GLY 342 Ca 0.00 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 0.00 1.61 0.13 -2.00 -0.00 132.00 131.74 2ka4 h PRO 343 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ka4 h PRO 343 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ka4 h PRO 343 CO 0.00 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.05 2ka4 n THR 344 N -3.24 0.82 0.00 1.56 -2.24 -1.26 -4.06 114.28 105.85 2ka4 n THR 344 Ca -0.02 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2ka4 n THR 344 Cb 0.19 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 -1.60 1.79 -0.56 6.98 0.00 -0.70 -4.20 120.51 122.22 2ka4 n ALA 345 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ka4 n ALA 345 Cb 0.22 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.73 0.00 -0.34 0.00 -0.08 -0.10 -4.52 116.55 109.79 2ka4 n ASP 346 Ca 0.00 0.00 0.20 0.00 -1.51 0.00 0.00 54.79 53.48 2ka4 n ASP 346 Cb 0.29 0.00 0.44 0.00 2.34 0.00 0.00 41.12 44.19 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 0.82 0.47 0.05 -0.67 0.11 -1.97 0.36 132.00 131.17 2ka4 h PRO 347 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2ka4 h PRO 347 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2ka4 h PRO 347 CO 0.00 0.31 -0.03 1.49 -0.21 0.00 0.00 178.00 179.57 2ka4 h GLU 348 N 0.49 -0.07 -0.45 1.05 4.57 -2.00 -2.90 114.58 115.26 2ka4 h GLU 348 Ca 0.65 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.82 2ka4 h GLU 348 Cb 1.40 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 2ka4 h GLU 348 CO -0.44 0.33 0.23 -0.22 -1.18 0.00 0.00 179.01 177.73 2ka4 h LYS 349 N -0.48 0.64 -0.85 1.92 3.64 -1.79 -2.92 116.57 116.73 2ka4 h LYS 349 Ca -0.01 -0.09 0.17 0.00 -1.27 0.00 0.00 60.65 59.45 2ka4 h LYS 349 Cb 0.43 -0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 2ka4 h LYS 349 CO 0.01 0.53 0.41 -0.09 -2.27 0.00 0.00 179.45 178.04 2ka4 h ARG 350 N 0.59 0.52 -0.54 1.90 1.12 -0.98 -0.94 114.38 116.05 2ka4 h ARG 350 Ca 0.16 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.90 2ka4 h ARG 350 Cb 0.09 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.91 2ka4 h ARG 350 CO -0.02 0.35 -0.03 -0.22 -3.11 0.00 0.00 179.97 176.93 2ka4 h LYS 351 N 0.54 0.98 -0.05 0.20 3.64 -1.33 -3.01 116.57 117.54 2ka4 h LYS 351 Ca 0.49 -0.33 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2ka4 h LYS 351 Cb 0.77 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2ka4 h LYS 351 CO -0.41 1.00 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.68 2ka4 h LEU 352 N 0.86 -0.06 -0.64 5.20 3.38 -1.02 -0.53 115.31 122.50 2ka4 h LEU 352 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2ka4 h LEU 352 Cb 0.58 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2ka4 h LEU 352 CO 0.03 -0.03 0.25 0.16 0.09 0.00 0.00 178.44 178.95 2ka4 h ILE 353 N -0.01 1.24 -0.45 1.22 -2.65 -1.55 -1.78 117.51 113.52 2ka4 h ILE 353 Ca 0.03 -0.75 0.07 0.00 1.03 0.00 0.00 64.86 65.23 2ka4 h ILE 353 Cb 0.05 0.53 -0.06 0.00 -2.05 0.00 0.00 36.82 35.30 2ka4 h ILE 353 CO -0.05 0.30 0.12 1.56 0.03 0.00 0.00 178.15 180.10 2ka4 h GLN 354 N 0.90 0.26 -0.23 0.16 4.20 -1.35 -0.87 115.11 118.18 2ka4 h GLN 354 Ca 0.21 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2ka4 h GLN 354 Cb 0.22 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2ka4 h GLN 354 CO -0.02 0.17 0.08 1.96 -0.67 0.00 0.00 178.83 180.35 2ka4 h GLN 355 N 0.26 0.35 -0.50 1.46 4.20 -0.89 -1.85 115.11 118.14 2ka4 h GLN 355 Ca 0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2ka4 h GLN 355 Cb 0.26 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2ka4 h GLN 355 CO -0.26 0.43 0.16 0.37 -0.67 0.00 0.00 178.83 178.86 2ka4 h GLN 356 N 0.20 0.77 0.24 1.46 4.15 -1.15 -1.68 115.11 119.10 2ka4 h GLN 356 Ca 0.07 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.34 2ka4 h GLN 356 Cb 0.22 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2ka4 h GLN 356 CO -0.00 0.72 -0.32 1.25 -1.93 0.00 0.00 178.83 178.55 2ka4 h LEU 357 N 0.68 -0.89 -1.04 -2.39 6.46 -1.06 -1.85 115.31 115.22 2ka4 h LEU 357 Ca 0.16 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 2ka4 h LEU 357 Cb 0.26 0.32 -0.05 0.00 -0.73 0.00 0.00 40.66 40.46 2ka4 h LEU 357 CO -0.01 -0.43 0.63 0.58 -0.62 0.00 0.00 178.44 178.59 2ka4 h VAL 358 N -0.62 1.25 -0.91 1.05 2.07 -1.33 -2.03 116.25 115.73 2ka4 h VAL 358 Ca 0.00 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2ka4 h VAL 358 Cb 0.59 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2ka4 h VAL 358 CO -0.11 0.24 0.61 -0.07 0.02 0.00 0.00 177.57 178.26 2ka4 h LEU 359 N 1.31 1.05 -0.36 2.57 3.38 -0.99 -0.80 115.31 121.47 2ka4 h LEU 359 Ca 0.35 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2ka4 h LEU 359 Cb -0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.33 2ka4 h LEU 359 CO -0.08 0.76 0.10 -0.07 0.09 0.00 0.00 178.44 179.25 2ka4 h LEU 360 N 1.24 0.53 -0.63 1.67 3.38 -0.86 -1.06 115.31 119.58 2ka4 h LEU 360 Ca 0.34 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2ka4 h LEU 360 Cb -0.14 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 2ka4 h LEU 360 CO -0.07 0.60 0.31 -0.07 0.09 0.00 0.00 178.44 179.30 2ka4 h LEU 361 N 0.43 0.42 0.89 1.67 3.38 -0.92 -0.88 115.31 120.30 2ka4 h LEU 361 Ca 0.11 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2ka4 h LEU 361 Cb 0.27 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2ka4 h LEU 361 CO -0.00 0.26 -0.43 -0.74 0.09 0.00 0.00 178.44 177.63 2ka4 h HIS 362 N 0.56 -1.10 -0.98 1.13 2.76 -1.02 -3.28 115.15 113.22 2ka4 h HIS 362 Ca 0.30 -0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.60 2ka4 h HIS 362 Cb 0.26 0.36 -0.10 0.00 1.55 0.00 0.00 27.41 29.49 2ka4 h HIS 362 CO -0.11 -0.69 0.59 0.00 -1.30 0.00 0.00 177.93 176.42 2ka4 h ALA 363 N -1.32 1.56 0.19 5.26 0.00 -0.99 0.15 119.26 124.12 2ka4 h ALA 363 Ca -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ka4 h ALA 363 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ka4 h ALA 363 CO 0.20 0.02 -0.09 1.25 0.00 0.00 0.00 179.25 180.63 2ka4 h HIS 364 N 0.81 -0.24 -0.13 0.00 6.17 -1.25 0.34 115.15 120.85 2ka4 h HIS 364 Ca 0.54 -0.01 -0.12 0.00 0.71 0.00 0.00 60.37 61.49 2ka4 h HIS 364 Cb 0.75 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.75 2ka4 h HIS 364 CO -0.02 -0.15 -0.46 -0.22 0.71 0.00 0.00 177.93 177.79 2ka4 h LYS 365 N -0.26 0.32 -0.28 5.26 3.64 -1.54 -2.91 116.57 120.80 2ka4 h LYS 365 Ca -0.02 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 2ka4 h LYS 365 Cb 0.20 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2ka4 h LYS 365 CO 0.04 0.72 -0.07 0.00 -2.27 0.00 0.00 179.45 177.87 2ka4 h GLN 367 N 0.43 0.39 -0.22 0.00 -0.00 -0.74 -0.80 115.11 114.18 2ka4 h GLN 367 Ca 0.09 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2ka4 h GLN 367 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 2ka4 h GLN 367 CO 0.02 0.55 -0.07 0.00 0.00 0.00 0.00 178.83 179.33 2ka4 h ARG 368 N 0.36 0.44 -0.51 1.69 2.47 -1.21 -2.84 114.38 114.78 2ka4 h ARG 368 Ca 0.07 -0.18 0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2ka4 h ARG 368 Cb 0.50 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 2ka4 h ARG 368 CO 0.03 0.69 0.16 -0.09 0.56 0.00 0.00 179.97 181.33 2ka4 h ARG 369 N 0.16 0.32 -0.21 0.04 1.12 -0.68 0.27 114.38 115.40 2ka4 h ARG 369 Ca 0.05 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2ka4 h ARG 369 Cb 0.54 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 2ka4 h ARG 369 CO 0.02 0.21 0.14 0.93 -3.11 0.00 0.00 179.97 178.17 2ka4 h GLU 370 N 0.33 0.28 -0.39 0.20 5.08 -1.16 -1.24 114.58 117.68 2ka4 h GLU 370 Ca 0.25 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2ka4 h GLU 370 Cb 0.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2ka4 h GLU 370 CO -0.27 0.18 -0.22 1.96 -1.00 0.00 0.00 179.01 179.66 2ka4 h GLN 371 N 0.28 0.77 -0.64 2.33 1.08 -1.23 -1.03 115.11 116.66 2ka4 h GLN 371 Ca 0.08 -0.30 -0.08 0.00 -1.45 0.00 0.00 58.65 56.89 2ka4 h GLN 371 Cb -0.03 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 2ka4 h GLN 371 CO -0.02 0.92 0.07 0.00 -0.95 0.00 0.00 178.83 178.85 2ka4 h ALA 372 N 1.08 0.91 -0.12 3.87 0.00 -0.80 -3.14 119.26 121.07 2ka4 h ALA 372 Ca 0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2ka4 h ALA 372 Cb 0.72 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ka4 h ALA 372 CO 0.06 0.66 -0.20 -0.97 0.00 0.00 0.00 179.25 178.80 2ka4 h ASN 373 N 1.01 0.38 0.00 0.00 -0.73 -1.15 -3.48 115.58 111.61 2ka4 h ASN 373 Ca 0.19 -0.54 0.00 0.00 1.87 0.00 0.00 56.30 57.82 2ka4 h ASN 373 Cb 0.47 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2ka4 h ASN 373 CO 0.02 0.85 0.00 0.61 -0.37 0.00 0.00 177.43 178.54 2ka4 n GLY 374 N 0.38 2.66 2.53 1.57 0.00 -0.40 -4.76 105.19 107.16 2ka4 n GLY 374 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 1.32 -1.63 1.61 2.13 -1.26 -5.05 120.64 115.76 2ka4 n GLU 375 Ca 0.00 -2.60 -0.41 0.00 0.66 0.00 0.00 57.16 54.81 2ka4 n GLU 375 Cb 0.00 -0.77 0.02 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.67 2.63 -0.12 6.31 3.14 -1.26 -4.99 118.33 123.36 2ka4 n VAL 376 Ca -0.01 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.62 2ka4 n VAL 376 Cb 0.86 -1.24 -0.09 0.00 -1.06 0.00 0.00 33.84 32.31 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 -0.03 0.52 -1.93 1.45 3.00 -1.26 -5.12 116.66 113.29 2ka4 n ARG 377 Ca 0.09 0.21 -0.02 0.00 -0.01 0.00 0.00 57.85 58.12 2ka4 n ARG 377 Cb 0.40 -1.38 0.01 0.00 0.00 0.00 0.00 32.46 31.49 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 -3.96 -0.61 -3.06 7.54 0.00 -1.26 -5.20 120.51 113.97 2ka4 n ALA 378 Ca -0.47 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2ka4 n ALA 378 Cb 0.85 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.60 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 -2.24 0.19 -4.66 0.00 7.64 -1.26 -5.06 113.62 108.22 2ka4 n SER 380 Ca 0.00 -0.52 -0.39 0.00 1.01 0.00 0.00 58.87 58.98 2ka4 n SER 380 Cb 0.00 0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.77 4.14 0.49 -3.43 2.01 -1.26 -5.00 118.68 114.86 2ka4 s LEU 381 Ca 0.00 0.53 0.33 0.00 0.01 0.00 0.00 54.13 54.99 2ka4 s LEU 381 Cb 0.00 -2.55 1.45 0.00 0.01 0.00 0.00 46.19 45.09 2ka4 s LEU 381 CO 0.00 -0.12 1.73 -0.65 1.01 0.00 0.00 176.35 178.32 2ka4 h PRO 382 N 7.50 0.11 0.00 1.29 0.11 -2.04 -2.50 132.00 136.46 2ka4 h PRO 382 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2ka4 h PRO 382 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ka4 h PRO 382 CO 0.71 0.07 -0.08 0.72 -0.21 0.00 0.00 178.00 179.21 2ka4 n HIS 383 N -4.35 0.00 -0.10 0.65 8.25 -1.26 -4.81 115.22 113.60 2ka4 n HIS 383 Ca 0.30 -0.77 -0.06 0.00 -0.26 0.00 0.00 57.72 56.94 2ka4 n HIS 383 Cb 1.30 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 32.29 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 0.05 0.19 0.09 0.00 -0.00 -1.87 -0.52 114.38 112.33 2ka4 h ARG 385 Ca 0.17 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 60.10 2ka4 h ARG 385 Cb 0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.19 2ka4 h ARG 385 CO -0.32 0.32 -0.05 1.15 -0.00 0.00 0.00 179.97 181.08 2ka4 h THR 386 N 0.19 1.08 -0.27 0.08 2.02 -1.60 -2.16 112.91 112.25 2ka4 h THR 386 Ca 0.04 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 2ka4 h THR 386 Cb 0.32 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2ka4 h THR 386 CO 0.02 0.16 0.10 0.24 0.37 0.00 0.00 175.52 176.41 2ka4 h MET 387 N -0.43 0.41 -0.87 6.66 2.86 -1.06 -2.33 114.93 120.17 2ka4 h MET 387 Ca -0.01 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2ka4 h MET 387 Cb 0.36 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 2ka4 h MET 387 CO 0.02 0.45 0.53 0.87 1.06 0.00 0.00 176.91 179.85 2ka4 h LYS 388 N 0.29 0.92 -0.44 1.72 1.57 -1.09 0.20 116.57 119.74 2ka4 h LYS 388 Ca 0.09 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2ka4 h LYS 388 Cb 0.20 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2ka4 h LYS 388 CO -0.01 0.61 0.10 -0.91 -0.57 0.00 0.00 179.45 178.67 2ka4 h ASN 389 N 0.95 0.68 -0.47 0.86 2.35 -1.28 -1.39 115.58 117.28 2ka4 h ASN 389 Ca 0.39 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2ka4 h ASN 389 Cb 0.24 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2ka4 h ASN 389 CO -0.20 0.74 -0.09 0.58 -1.65 0.00 0.00 177.43 176.81 2ka4 h VAL 390 N 0.58 1.26 0.00 2.81 2.07 -0.82 -2.49 116.25 119.66 2ka4 h VAL 390 Ca 0.14 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2ka4 h VAL 390 Cb 0.33 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2ka4 h VAL 390 CO 0.00 0.43 -0.00 -0.07 0.02 0.00 0.00 177.57 177.95 2ka4 h LEU 391 N 0.84 -0.00 -1.41 2.57 3.38 -0.54 -0.64 115.31 119.50 2ka4 h LEU 391 Ca 0.14 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2ka4 h LEU 391 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2ka4 h LEU 391 CO 0.04 0.45 0.42 0.78 0.09 0.00 0.00 178.44 180.22 2ka4 h ASN 392 N -0.46 0.67 0.16 -0.43 2.35 -1.30 -1.15 115.58 115.42 2ka4 h ASN 392 Ca -0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2ka4 h ASN 392 Cb 0.45 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2ka4 h ASN 392 CO 0.00 0.47 -0.08 -0.74 -1.65 0.00 0.00 177.43 175.44 2ka4 h HIS 393 N 0.79 -0.20 -0.79 1.19 2.76 -1.32 -3.08 115.15 114.50 2ka4 h HIS 393 Ca 0.25 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.57 2ka4 h HIS 393 Cb 0.02 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 2ka4 h HIS 393 CO -0.00 0.02 0.53 0.52 -1.30 0.00 0.00 177.93 177.70 2ka4 h MET 394 N -0.39 0.42 0.00 5.26 2.86 -0.48 0.01 114.93 122.60 2ka4 h MET 394 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2ka4 h MET 394 Cb 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2ka4 h MET 394 CO 0.04 0.27 0.00 2.41 1.06 0.00 0.00 176.91 180.69 2ka4 n THR 395 N -4.49 1.09 0.00 2.22 -1.04 -0.49 -3.19 114.28 108.39 2ka4 n THR 395 Ca 0.16 0.52 0.00 0.00 -2.04 0.00 0.00 64.05 62.69 2ka4 n THR 395 Cb 0.56 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 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 -2.11 0.00 -2.01 -1.42 8.25 -0.60 -5.06 115.22 112.28 2ka4 n HIS 396 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2ka4 n HIS 396 Cb 0.10 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 1.43 -0.44 0.20 0.00 6.02 -1.26 -4.78 117.38 118.56 2ka4 n GLN 398 Ca 0.03 -0.34 0.07 0.00 -0.01 0.00 0.00 57.00 56.76 2ka4 n GLN 398 Cb 0.41 -0.79 0.32 0.00 1.02 0.00 0.00 30.24 31.20 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka4 h ALA 399 N 0.00 0.93 -0.37 -1.58 0.00 -1.94 -3.48 119.26 112.83 2ka4 h ALA 399 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ka4 h ALA 399 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ka4 h ALA 399 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2ka4 n GLY 400 N 0.45 2.46 0.38 0.00 0.00 -1.26 -1.17 105.19 106.04 2ka4 n GLY 400 Ca 0.01 0.37 0.20 0.00 0.00 0.00 0.00 46.02 46.59 2ka4 n GLY 400 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ka4 h LYS 401 N 0.00 0.00 -0.10 1.61 3.64 -1.92 -1.52 116.57 118.27 2ka4 h LYS 401 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ka4 h LYS 401 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2ka4 h LYS 401 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2ka4 n ALA 402 N -2.41 2.50 -0.72 5.00 0.00 -0.32 -4.99 120.51 119.57 2ka4 n ALA 402 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 2ka4 n ALA 402 Cb 0.56 -0.99 0.21 0.00 0.00 0.00 0.00 19.45 19.23 2ka4 n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 n GLN 404 N -4.53 3.49 -2.83 0.00 1.13 -1.26 -4.94 117.38 108.44 2ka4 n GLN 404 Ca 0.06 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 2ka4 n GLN 404 Cb 0.54 -1.00 -0.04 0.00 0.11 0.00 0.00 30.24 29.85 2ka4 n GLN 404 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ka4 s VAL 405 N -1.95 4.73 0.31 5.09 1.01 -1.26 -4.97 120.40 123.35 2ka4 s VAL 405 Ca 0.04 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.56 2ka4 s VAL 405 Cb 0.08 -4.22 0.30 0.00 0.00 0.00 0.00 36.38 32.54 2ka4 s VAL 405 CO 0.42 -0.25 1.85 0.00 0.00 0.00 0.00 175.10 177.11 2ka4 h ALA 406 N 7.94 1.64 0.00 5.51 0.00 -2.03 -2.95 119.26 129.36 2ka4 h ALA 406 Ca -0.23 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 2ka4 h ALA 406 Cb 1.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2ka4 h ALA 406 CO 0.93 0.12 -1.31 0.45 0.00 0.00 0.00 179.25 179.44 2ka4 h HIS 407 N 0.88 0.00 0.36 0.00 3.86 -2.00 -3.39 115.15 114.86 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 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2ka4 h HIS 407 CO -0.00 0.66 -0.35 0.00 0.86 0.00 0.00 177.93 179.10 2ka4 h ALA 409 N -1.19 1.18 -0.24 0.00 0.00 -1.78 -1.37 119.26 115.86 2ka4 h ALA 409 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2ka4 h ALA 409 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ka4 h ALA 409 CO -0.04 0.49 0.02 0.77 0.00 0.00 0.00 179.25 180.49 2ka4 h SER 410 N 1.18 0.40 -0.52 0.00 0.02 -1.75 -3.13 113.55 109.74 2ka4 h SER 410 Ca 0.35 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2ka4 h SER 410 Cb -0.05 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 2ka4 h SER 410 CO -0.10 0.59 0.27 0.28 -1.14 0.00 0.00 176.83 176.73 2ka4 h SER 411 N 0.20 0.40 -1.01 3.07 0.02 -0.78 0.28 113.55 115.73 2ka4 h SER 411 Ca 0.07 0.03 0.25 0.00 -0.84 0.00 0.00 61.79 61.29 2ka4 h SER 411 Cb 0.38 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.78 2ka4 h SER 411 CO 0.01 0.27 0.65 -0.09 -1.14 0.00 0.00 176.83 176.54 2ka4 h ARG 412 N 0.53 0.41 0.12 3.45 9.65 -1.21 -1.69 114.38 125.64 2ka4 h ARG 412 Ca 0.23 -0.02 -0.35 0.00 -1.10 0.00 0.00 59.98 58.73 2ka4 h ARG 412 Cb 0.13 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2ka4 h ARG 412 CO -0.15 0.27 -1.90 0.37 2.80 0.00 0.00 179.97 181.36 2ka4 h GLN 413 N 0.42 0.24 -0.96 0.20 5.75 -1.38 -3.37 115.11 116.02 2ka4 h GLN 413 Ca 0.56 -0.42 0.06 0.00 -0.15 0.00 0.00 58.65 58.71 2ka4 h GLN 413 Cb 1.39 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 30.03 2ka4 h GLN 413 CO -0.27 1.20 0.62 0.97 -2.65 0.00 0.00 178.83 178.69 2ka4 h ILE 414 N -0.05 1.09 -0.13 2.39 2.10 -0.39 -2.54 117.51 119.98 2ka4 h ILE 414 Ca -0.41 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.14 2ka4 h ILE 414 Cb 1.96 -0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 2ka4 h ILE 414 CO 0.06 0.21 0.08 0.40 -1.08 0.00 0.00 178.15 177.82 2ka4 h ILE 415 N 1.13 1.04 -0.04 2.19 2.04 -1.53 -2.92 117.51 119.42 2ka4 h ILE 415 Ca 0.41 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 66.18 2ka4 h ILE 415 Cb 0.14 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2ka4 h ILE 415 CO -0.16 0.04 0.05 0.28 0.00 0.00 0.00 178.15 178.36 2ka4 h SER 416 N 0.16 0.00 0.24 1.72 0.02 -1.62 -2.95 113.55 111.13 2ka4 h SER 416 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2ka4 h SER 416 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2ka4 h SER 416 CO -0.01 0.00 -0.12 -0.74 -1.14 0.00 0.00 176.83 174.82 2ka4 h HIS 417 N 0.00 -0.30 -0.10 3.45 -0.00 -1.40 -3.24 115.15 113.55 2ka4 h HIS 417 Ca 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2ka4 h HIS 417 Cb 0.12 0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2ka4 h HIS 417 CO 0.00 0.07 0.07 2.35 -0.00 0.00 0.00 177.93 180.42 2ka4 h TRP 418 N -0.78 0.07 0.00 5.26 -0.00 -1.62 -0.58 115.95 118.31 2ka4 h TRP 418 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 2ka4 h TRP 418 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 2ka4 h TRP 418 CO 0.05 0.04 0.00 0.87 -0.00 0.00 0.00 178.44 179.40 2ka4 h LYS 419 N 0.08 0.00 0.00 2.65 1.57 -1.55 -3.37 116.57 115.95 2ka4 h LYS 419 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2ka4 h LYS 419 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2ka4 h LYS 419 CO -0.01 0.00 -0.39 0.09 -0.57 0.00 0.00 179.45 178.57 2ka4 n ASN 420 N -2.41 1.96 -4.57 0.86 3.02 -0.51 -5.04 115.26 108.57 2ka4 n ASN 420 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 2ka4 n ASN 420 Cb 0.17 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 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 7.29 0.00 -1.79 0.00 -2.24 -1.26 -4.94 114.28 111.34 2ka4 n THR 422 Ca 0.21 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 2ka4 n THR 422 Cb 0.50 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2ka4 n THR 422 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ka4 s ARG 423 N -2.82 4.16 0.00 -0.78 0.52 -1.26 -4.91 118.95 113.86 2ka4 s ARG 423 Ca 0.17 2.50 0.26 0.00 -0.52 0.00 0.00 55.73 58.14 2ka4 s ARG 423 Cb 0.18 -3.74 1.40 0.00 0.52 0.00 0.00 34.95 33.31 2ka4 s ARG 423 CO 0.60 -0.84 1.89 -2.39 0.02 0.00 0.00 175.30 174.58 2ka4 n HIS 424 N 6.16 0.00 -0.31 -0.53 1.44 -1.26 -3.70 115.22 117.02 2ka4 n HIS 424 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2ka4 n HIS 424 Cb 0.40 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.33 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 -1.18 1.43 -4.71 4.39 5.75 -1.26 -4.91 116.55 116.05 2ka4 n ASP 425 Ca 0.15 -1.73 -0.43 0.00 -0.01 0.00 0.00 54.79 52.76 2ka4 n ASP 425 Cb 0.16 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 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 5.36 0.83 0.06 0.00 0.13 -1.97 -2.40 132.00 134.02 2ka4 h PRO 427 Ca -0.45 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2ka4 h PRO 427 Cb 1.23 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ka4 h PRO 427 CO 0.84 0.67 -0.03 0.28 -0.23 0.00 0.00 178.00 179.53 2ka4 h VAL 428 N 0.79 1.20 0.00 1.56 2.07 -1.91 -3.33 116.25 116.63 2ka4 h VAL 428 Ca 0.20 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 2ka4 h VAL 428 Cb 0.10 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2ka4 h VAL 428 CO -0.03 0.34 -0.19 0.00 0.02 0.00 0.00 177.57 177.71 2ka4 h LEU 430 N 0.00 -2.03 -1.01 0.00 7.12 -1.54 0.14 115.31 117.99 2ka4 h LEU 430 Ca -0.00 0.32 0.10 0.00 0.13 0.00 0.00 57.88 58.43 2ka4 h LEU 430 Cb 0.48 0.91 -0.08 0.00 -0.53 0.00 0.00 40.66 41.45 2ka4 h LEU 430 CO 0.02 -0.25 0.64 1.55 -0.13 0.00 0.00 178.44 180.27 2ka4 h PRO 431 N -0.04 1.04 -0.42 5.25 0.13 -1.83 0.11 132.00 136.24 2ka4 h PRO 431 Ca 0.18 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 2ka4 h PRO 431 Cb 0.45 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2ka4 h PRO 431 CO -0.91 0.69 -0.17 -0.07 -0.23 0.00 0.00 178.00 177.31 2ka4 h LEU 432 N 1.07 0.87 -1.75 1.56 4.07 -1.22 0.15 115.31 120.06 2ka4 h LEU 432 Ca 0.47 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 2ka4 h LEU 432 Cb 0.36 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 2ka4 h LEU 432 CO -0.23 1.07 -0.16 0.11 -1.08 0.00 0.00 178.44 178.15 2ka4 h LYS 433 N 0.67 0.00 0.17 1.13 1.57 -0.23 -2.26 116.57 117.62 2ka4 h LYS 433 Ca 0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.63 2ka4 h LYS 433 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.05 2ka4 h LYS 433 CO 0.05 0.16 -1.11 -0.97 -0.57 0.00 0.00 179.45 177.02 2ka4 h ASN 434 N 0.00 0.55 0.00 0.86 -0.73 -0.74 -2.70 115.58 112.83 2ka4 h ASN 434 Ca -0.00 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.24 2ka4 h ASN 434 Cb 0.40 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.81 2ka4 h ASN 434 CO 0.02 1.52 0.03 0.00 -0.37 0.00 0.00 177.43 178.63 2ka4 n ALA 435 N -2.74 0.99 -1.90 1.57 0.00 0.49 -2.43 120.51 116.48 2ka4 n ALA 435 Ca -0.17 0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2ka4 n ALA 435 Cb 0.91 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 19.17 2ka4 n ALA 435 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ka4 n SER 436 N -2.12 0.32 -1.12 0.00 3.41 -0.89 -5.06 113.62 108.17 2ka4 n SER 436 Ca -0.01 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 2ka4 n SER 436 Cb 0.06 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -0.16 -6.46 0.27 4.04 -0.08 -1.02 -4.85 116.55 108.29 2ka4 n ASP 437 Ca 0.02 0.82 0.16 0.00 -1.51 0.00 0.00 54.79 54.28 2ka4 n ASP 437 Cb 0.71 -2.70 0.90 0.00 2.34 0.00 0.00 41.12 42.37 2ka4 n ASP 437 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2ka4 h LYS 438 N 1.73 0.00 0.00 -0.67 1.79 -1.78 -3.45 116.57 114.19 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 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2ka4 h LYS 438 CO 0.00 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.24