#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 s THR 341 N 0.00 0.05 -0.21 0.00 -4.23 -1.26 -5.02 115.64 104.97 2ka4 s THR 341 Ca 0.00 -1.31 -0.28 0.00 -1.18 0.00 0.00 61.69 58.92 2ka4 s THR 341 Cb 0.00 -1.86 0.14 0.00 1.34 0.00 0.00 72.50 72.12 2ka4 s THR 341 CO 0.00 -0.23 1.08 -0.83 -0.54 0.00 0.00 174.62 174.10 2ka4 s GLY 342 N -2.96 -0.15 0.58 3.99 0.00 -1.26 -5.04 107.32 102.48 2ka4 s GLY 342 Ca 0.17 2.39 0.36 0.00 0.00 0.00 0.00 44.72 47.64 2ka4 s GLY 342 CO 0.01 1.31 2.14 -0.56 0.00 0.00 0.00 173.10 176.00 2ka4 h PRO 343 N 2.96 0.00 0.00 2.90 0.13 -2.03 0.41 132.00 136.36 2ka4 h PRO 343 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2ka4 h PRO 343 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ka4 h PRO 343 CO 0.24 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.29 2ka4 n THR 344 N -3.23 0.02 0.00 1.56 -2.24 -1.26 -4.38 114.28 104.76 2ka4 n THR 344 Ca -0.01 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ka4 n THR 344 Cb 0.21 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.46 1.66 -0.42 6.98 0.00 -1.01 -5.12 120.51 121.15 2ka4 n ALA 345 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ka4 n ALA 345 Cb 0.32 0.12 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 -1.40 0.00 -0.30 0.00 -0.08 0.10 -4.52 116.55 110.34 2ka4 n ASP 346 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 2ka4 n ASP 346 Cb 0.16 0.00 0.30 0.00 2.34 0.00 0.00 41.12 43.92 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 0.62 0.24 -0.08 -0.67 0.11 -1.95 0.98 132.00 131.25 2ka4 h PRO 347 Ca 0.00 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 2ka4 h PRO 347 Cb 0.00 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.07 2ka4 h PRO 347 CO 0.00 0.16 -0.65 1.49 -0.21 0.00 0.00 178.00 178.79 2ka4 h GLU 348 N 0.25 0.58 -0.63 1.05 4.57 -1.99 -1.86 114.58 116.54 2ka4 h GLU 348 Ca 0.56 -0.52 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 2ka4 h GLU 348 Cb 1.14 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 2ka4 h GLU 348 CO -0.63 1.14 0.17 -0.22 -1.18 0.00 0.00 179.01 178.29 2ka4 h LYS 349 N 0.19 1.00 -0.60 1.92 3.11 -1.77 -1.81 116.57 118.61 2ka4 h LYS 349 Ca -0.06 -0.23 0.07 0.00 -2.81 0.00 0.00 60.65 57.62 2ka4 h LYS 349 Cb 1.31 -0.14 -0.06 0.00 -1.00 0.00 0.00 32.23 32.35 2ka4 h LYS 349 CO 0.13 0.90 0.28 -0.09 -2.81 0.00 0.00 179.45 177.86 2ka4 h ARG 350 N 0.92 0.49 -0.88 1.90 1.12 -0.85 -1.95 114.38 115.14 2ka4 h ARG 350 Ca 0.20 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.04 2ka4 h ARG 350 Cb 0.34 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.14 2ka4 h ARG 350 CO -0.00 0.33 0.54 -0.22 -3.11 0.00 0.00 179.97 177.50 2ka4 h LYS 351 N 0.51 1.19 -0.04 0.20 3.64 -0.95 -2.87 116.57 118.24 2ka4 h LYS 351 Ca 0.28 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2ka4 h LYS 351 Cb 0.26 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2ka4 h LYS 351 CO -0.23 0.83 0.03 -0.07 -2.27 0.00 0.00 179.45 177.73 2ka4 h LEU 352 N 1.20 0.05 -0.82 5.20 3.38 -0.55 0.05 115.31 123.82 2ka4 h LEU 352 Ca 0.32 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2ka4 h LEU 352 Cb -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2ka4 h LEU 352 CO -0.06 0.05 0.36 0.16 0.09 0.00 0.00 178.44 179.04 2ka4 h ILE 353 N 0.04 1.26 -0.45 1.22 -2.65 -1.50 -1.69 117.51 113.74 2ka4 h ILE 353 Ca 0.01 -0.77 0.04 0.00 1.03 0.00 0.00 64.86 65.17 2ka4 h ILE 353 Cb 0.01 0.25 -0.04 0.00 -2.05 0.00 0.00 36.82 34.99 2ka4 h ILE 353 CO -0.00 0.32 0.22 1.56 0.03 0.00 0.00 178.15 180.28 2ka4 h GLN 354 N 1.17 0.43 -0.17 0.16 4.20 -1.26 -0.91 115.11 118.73 2ka4 h GLN 354 Ca 0.28 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2ka4 h GLN 354 Cb 0.16 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2ka4 h GLN 354 CO -0.03 0.28 0.07 1.96 -0.67 0.00 0.00 178.83 180.45 2ka4 h GLN 355 N 0.44 0.25 -0.36 1.46 4.20 -0.67 -1.53 115.11 118.90 2ka4 h GLN 355 Ca 0.20 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 2ka4 h GLN 355 Cb 0.11 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2ka4 h GLN 355 CO -0.14 0.32 0.10 0.37 -0.67 0.00 0.00 178.83 178.80 2ka4 h GLN 356 N 0.13 0.56 -0.43 1.46 4.15 -1.21 -1.15 115.11 118.63 2ka4 h GLN 356 Ca 0.06 -0.13 0.07 0.00 0.77 0.00 0.00 58.65 59.42 2ka4 h GLN 356 Cb 0.16 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 2ka4 h GLN 356 CO -0.01 0.60 0.06 1.25 -1.93 0.00 0.00 178.83 178.80 2ka4 h LEU 357 N 0.42 -0.05 -0.56 -2.39 5.85 -1.08 -0.96 115.31 116.54 2ka4 h LEU 357 Ca 0.11 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2ka4 h LEU 357 Cb 0.28 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2ka4 h LEU 357 CO -0.00 0.01 -0.28 0.58 -0.34 0.00 0.00 178.44 178.41 2ka4 h VAL 358 N 0.18 1.27 -0.87 1.05 2.07 -1.21 -1.80 116.25 116.94 2ka4 h VAL 358 Ca 0.21 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 2ka4 h VAL 358 Cb 0.27 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2ka4 h VAL 358 CO -0.30 0.48 0.53 -0.07 0.02 0.00 0.00 177.57 178.23 2ka4 h LEU 359 N 0.73 1.05 -0.23 2.57 3.38 -0.68 -0.15 115.31 121.97 2ka4 h LEU 359 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ka4 h LEU 359 Cb 0.83 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ka4 h LEU 359 CO 0.07 0.80 0.09 -0.07 0.09 0.00 0.00 178.44 179.42 2ka4 h LEU 360 N 1.20 0.32 -0.99 1.67 3.38 -1.08 -1.64 115.31 118.17 2ka4 h LEU 360 Ca 0.31 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2ka4 h LEU 360 Cb -0.06 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 2ka4 h LEU 360 CO -0.06 0.41 0.63 -0.07 0.09 0.00 0.00 178.44 179.44 2ka4 h LEU 361 N 0.21 0.96 0.57 1.67 3.38 -0.89 0.74 115.31 121.96 2ka4 h LEU 361 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2ka4 h LEU 361 Cb 0.19 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ka4 h LEU 361 CO -0.01 0.57 -0.27 -0.74 0.09 0.00 0.00 178.44 178.08 2ka4 h HIS 362 N 1.07 -0.71 -0.66 1.13 2.76 -0.87 -3.27 115.15 114.60 2ka4 h HIS 362 Ca 0.46 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.71 2ka4 h HIS 362 Cb 0.32 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 2ka4 h HIS 362 CO -0.01 -0.38 0.44 0.00 -1.30 0.00 0.00 177.93 176.68 2ka4 h ALA 363 N -0.78 1.95 -0.75 5.26 0.00 -1.01 -0.55 119.26 123.39 2ka4 h ALA 363 Ca -0.08 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2ka4 h ALA 363 Cb 0.65 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2ka4 h ALA 363 CO 0.13 -0.10 0.32 1.25 0.00 0.00 0.00 179.25 180.85 2ka4 h HIS 364 N 0.50 0.54 0.08 0.00 6.17 -0.90 0.12 115.15 121.66 2ka4 h HIS 364 Ca 0.31 0.03 -0.34 0.00 0.71 0.00 0.00 60.37 61.08 2ka4 h HIS 364 Cb 0.53 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.31 2ka4 h HIS 364 CO -0.00 0.10 -1.88 1.17 0.71 0.00 0.00 177.93 178.03 2ka4 n LYS 365 N -4.97 0.71 -0.11 5.26 3.00 -1.00 -4.19 118.16 116.86 2ka4 n LYS 365 Ca 0.14 0.28 0.01 0.00 -0.00 0.00 0.00 58.31 58.74 2ka4 n LYS 365 Cb 0.39 -1.75 0.31 0.00 0.00 0.00 0.00 35.03 33.99 2ka4 n LYS 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ka4 h GLN 367 N 0.78 0.50 -0.38 0.00 4.15 -1.15 -2.02 115.11 116.99 2ka4 h GLN 367 Ca 0.20 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.43 2ka4 h GLN 367 Cb -0.02 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2ka4 h GLN 367 CO -0.04 0.39 -0.36 0.00 -1.93 0.00 0.00 178.83 176.89 2ka4 h ARG 368 N 0.51 0.89 -0.36 1.69 2.47 -1.31 -0.65 114.38 117.61 2ka4 h ARG 368 Ca 0.13 -0.45 0.03 0.00 -1.26 0.00 0.00 59.98 58.43 2ka4 h ARG 368 Cb 0.04 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 2ka4 h ARG 368 CO -0.02 1.09 0.17 0.00 0.56 0.00 0.00 179.97 181.77 2ka4 h ARG 369 N 0.73 0.34 -0.08 0.04 3.08 -0.66 -1.06 114.38 116.77 2ka4 h ARG 369 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2ka4 h ARG 369 Cb 0.93 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2ka4 h ARG 369 CO 0.09 0.23 -0.02 0.93 -1.07 0.00 0.00 179.97 180.13 2ka4 h GLU 370 N 0.35 0.16 -0.92 0.04 5.08 -1.38 -3.20 114.58 114.71 2ka4 h GLU 370 Ca 0.15 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2ka4 h GLU 370 Cb 0.08 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2ka4 h GLU 370 CO -0.12 0.47 0.59 0.37 -1.00 0.00 0.00 179.01 179.32 2ka4 h GLN 371 N -0.17 0.78 0.00 2.33 4.15 -0.93 0.13 115.11 121.40 2ka4 h GLN 371 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2ka4 h GLN 371 Cb 0.41 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2ka4 h GLN 371 CO 0.01 0.52 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 2ka4 n ALA 372 N -2.40 2.17 0.00 3.38 0.00 -0.42 -4.50 120.51 118.74 2ka4 n ALA 372 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2ka4 n ALA 372 Cb 0.41 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2ka4 n ALA 372 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ka4 n ASN 373 N -1.50 1.10 0.00 0.00 3.02 -0.81 -5.06 115.26 112.01 2ka4 n ASN 373 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2ka4 n ASN 373 Cb 0.30 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ka4 n GLY 374 N 1.83 0.57 0.70 7.41 0.00 0.40 -4.80 105.19 111.30 2ka4 n GLY 374 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ka4 n GLY 374 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ka4 n GLU 375 N -1.91 0.00 -1.73 1.61 0.28 -1.26 -5.11 120.64 112.52 2ka4 n GLU 375 Ca 0.00 -0.90 -0.42 0.00 -0.16 0.00 0.00 57.16 55.68 2ka4 n GLU 375 Cb 0.05 -0.21 -0.01 0.00 1.43 0.00 0.00 31.44 32.70 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2ka4 n VAL 376 N 0.08 1.74 -2.80 3.84 0.31 -1.26 -4.95 118.33 115.29 2ka4 n VAL 376 Ca -0.01 -0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 63.88 2ka4 n VAL 376 Cb 0.72 -1.77 0.05 0.00 -0.91 0.00 0.00 33.84 31.93 2ka4 n VAL 376 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2ka4 n ARG 377 N 0.92 1.72 -1.68 5.55 0.00 -1.26 -4.92 116.66 116.99 2ka4 n ARG 377 Ca 0.05 -3.47 -0.10 0.00 -0.00 0.00 0.00 57.85 54.33 2ka4 n ARG 377 Cb 0.37 -1.56 0.08 0.00 -0.00 0.00 0.00 32.46 31.34 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ka4 n ALA 378 N -0.56 4.07 -2.69 2.89 0.00 -1.26 -5.05 120.51 117.90 2ka4 n ALA 378 Ca 0.08 -3.39 -0.09 0.00 0.00 0.00 0.00 53.44 50.05 2ka4 n ALA 378 Cb 0.82 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 2ka4 n ALA 378 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 n SER 380 N 1.07 0.00 -4.67 0.00 7.64 -1.26 -5.11 113.62 111.28 2ka4 n SER 380 Ca -0.20 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.25 2ka4 n SER 380 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 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 4.39 0.55 -3.43 2.01 -1.26 -4.90 118.68 116.03 2ka4 s LEU 381 Ca 0.00 2.53 0.41 0.00 0.01 0.00 0.00 54.13 57.08 2ka4 s LEU 381 Cb 0.00 -3.54 1.61 0.00 0.01 0.00 0.00 46.19 44.27 2ka4 s LEU 381 CO 0.00 -0.98 1.73 -0.65 1.01 0.00 0.00 176.35 177.45 2ka4 h PRO 382 N 9.65 0.01 0.00 1.29 0.11 -2.04 -2.71 132.00 138.30 2ka4 h PRO 382 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2ka4 h PRO 382 Cb 1.21 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2ka4 h PRO 382 CO 0.94 0.00 -0.41 0.72 -0.21 0.00 0.00 178.00 179.05 2ka4 n HIS 383 N -4.11 0.00 -0.11 0.65 8.25 -1.26 -4.88 115.22 113.75 2ka4 n HIS 383 Ca 0.32 -0.56 -0.05 0.00 -0.26 0.00 0.00 57.72 57.17 2ka4 n HIS 383 Cb 1.50 -0.12 0.02 0.00 1.12 0.00 0.00 29.99 32.51 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 0.04 0.74 0.03 0.00 -0.00 -1.90 -0.32 114.38 112.97 2ka4 h ARG 385 Ca 0.19 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 60.12 2ka4 h ARG 385 Cb 0.28 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.08 2ka4 h ARG 385 CO -0.36 0.49 -0.01 1.15 -0.00 0.00 0.00 179.97 181.24 2ka4 h THR 386 N 0.76 1.13 -0.36 0.08 2.02 -1.67 -1.92 112.91 112.97 2ka4 h THR 386 Ca 0.21 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2ka4 h THR 386 Cb -0.07 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2ka4 h THR 386 CO -0.05 0.13 0.10 0.24 0.37 0.00 0.00 175.52 176.31 2ka4 h MET 387 N -0.26 0.56 -0.79 6.66 2.86 -1.10 -1.77 114.93 121.09 2ka4 h MET 387 Ca -0.00 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2ka4 h MET 387 Cb 0.25 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 2ka4 h MET 387 CO 0.01 0.59 0.47 0.87 1.06 0.00 0.00 176.91 179.91 2ka4 h LYS 388 N 0.42 0.82 -0.30 1.72 1.57 -1.02 0.12 116.57 119.90 2ka4 h LYS 388 Ca 0.11 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2ka4 h LYS 388 Cb 0.27 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2ka4 h LYS 388 CO -0.00 0.54 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.51 2ka4 h ASN 389 N 0.85 0.52 -0.56 0.86 2.35 -1.25 -1.84 115.58 116.51 2ka4 h ASN 389 Ca 0.35 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2ka4 h ASN 389 Cb 0.21 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 2ka4 h ASN 389 CO -0.19 0.71 0.31 0.58 -1.65 0.00 0.00 177.43 177.19 2ka4 h VAL 390 N 0.33 1.18 -0.21 2.81 2.07 -0.71 -1.55 116.25 120.18 2ka4 h VAL 390 Ca 0.08 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2ka4 h VAL 390 Cb 0.44 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2ka4 h VAL 390 CO 0.02 0.20 0.01 -0.07 0.02 0.00 0.00 177.57 177.75 2ka4 h LEU 391 N 0.76 0.35 -0.87 2.57 3.38 -0.77 0.68 115.31 121.40 2ka4 h LEU 391 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ka4 h LEU 391 Cb 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2ka4 h LEU 391 CO -0.03 0.55 0.55 -1.13 0.09 0.00 0.00 178.44 178.47 2ka4 h ASN 392 N 0.13 1.02 0.34 -0.43 -1.24 -1.28 -1.88 115.58 112.25 2ka4 h ASN 392 Ca 0.06 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 2ka4 h ASN 392 Cb 0.36 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2ka4 h ASN 392 CO 0.01 0.77 -0.16 -0.74 -1.29 0.00 0.00 177.43 176.01 2ka4 h HIS 393 N 1.19 -0.42 -1.00 0.67 2.76 -1.13 -3.19 115.15 114.02 2ka4 h HIS 393 Ca 0.32 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.72 2ka4 h HIS 393 Cb -0.09 0.14 -0.12 0.00 1.55 0.00 0.00 27.41 28.88 2ka4 h HIS 393 CO -0.01 -0.17 0.59 0.52 -1.30 0.00 0.00 177.93 177.56 2ka4 h MET 394 N -0.61 0.57 0.00 5.26 2.86 -0.67 -1.10 114.93 121.24 2ka4 h MET 394 Ca -0.05 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2ka4 h MET 394 Cb 0.44 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2ka4 h MET 394 CO 0.08 0.38 -0.01 1.15 1.06 0.00 0.00 176.91 179.57 2ka4 h THR 395 N 0.59 0.41 0.00 2.22 2.02 -1.33 -3.16 112.91 113.65 2ka4 h THR 395 Ca 0.64 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.79 2ka4 h THR 395 Cb 1.20 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2ka4 h THR 395 CO -0.47 0.01 0.00 1.41 0.37 0.00 0.00 175.52 176.83 2ka4 n HIS 396 N -3.66 0.00 -1.02 3.16 8.25 -0.54 -5.11 115.22 116.30 2ka4 n HIS 396 Ca -0.03 -0.18 -0.33 0.00 -0.26 0.00 0.00 57.72 56.92 2ka4 n HIS 396 Cb 0.09 -0.02 0.13 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 -3.05 1.75 0.07 0.00 6.02 -1.26 -4.86 117.38 116.04 2ka4 n GLN 398 Ca 0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 2ka4 n GLN 398 Cb 0.51 -0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 -0.15 2.76 0.00 -1.58 0.00 -1.26 -4.99 120.51 115.29 2ka4 n ALA 399 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2ka4 n ALA 399 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.24 1.10 0.12 0.00 0.00 -1.26 -1.11 105.19 105.29 2ka4 n GLY 400 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 0.09 -0.01 1.61 2.85 -1.26 -1.77 118.16 119.67 2ka4 n LYS 401 Ca 0.00 0.56 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 2ka4 n LYS 401 Cb 0.00 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 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 -1.61 1.75 -1.74 0.58 0.00 -0.26 -5.10 120.51 114.12 2ka4 n ALA 402 Ca -0.01 -0.92 -0.39 0.00 0.00 0.00 0.00 53.44 52.12 2ka4 n ALA 402 Cb 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 1.61 0.00 -6.51 0.00 4.20 -1.95 -3.43 115.11 109.03 2ka4 h GLN 404 Ca -0.51 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.65 2ka4 h GLN 404 Cb 1.30 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.00 2ka4 h GLN 404 CO 0.58 0.00 0.96 0.08 -0.67 0.00 0.00 178.83 179.77 2ka4 s VAL 405 N -3.28 4.02 0.55 -0.54 1.01 -1.26 -4.92 120.40 115.97 2ka4 s VAL 405 Ca 0.06 0.82 0.27 0.00 0.00 0.00 0.00 61.98 63.14 2ka4 s VAL 405 Cb 0.08 -4.73 0.41 0.00 0.00 0.00 0.00 36.38 32.14 2ka4 s VAL 405 CO 0.61 -1.37 1.96 0.00 0.00 0.00 0.00 175.10 176.30 2ka4 h ALA 406 N 9.57 2.47 0.00 5.51 0.00 -2.03 -2.43 119.26 132.36 2ka4 h ALA 406 Ca -0.25 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2ka4 h ALA 406 Cb 1.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2ka4 h ALA 406 CO 1.19 -0.73 -1.32 0.72 0.00 0.00 0.00 179.25 179.10 2ka4 n HIS 407 N -4.21 0.99 0.02 0.00 8.25 -1.26 -4.43 115.22 114.59 2ka4 n HIS 407 Ca 0.11 0.32 -0.01 0.00 -0.26 0.00 0.00 57.72 57.88 2ka4 n HIS 407 Cb 0.67 -1.07 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 2ka4 n HIS 407 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka4 h ALA 409 N -1.66 1.54 -0.13 0.00 0.00 -1.81 -0.05 119.26 117.15 2ka4 h ALA 409 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ka4 h ALA 409 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ka4 h ALA 409 CO -0.01 0.25 -0.00 0.77 0.00 0.00 0.00 179.25 180.26 2ka4 h SER 410 N 0.99 0.23 -0.24 0.00 0.02 -1.76 -2.86 113.55 109.92 2ka4 h SER 410 Ca 0.46 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ka4 h SER 410 Cb 0.40 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2ka4 h SER 410 CO -0.21 0.49 0.11 0.28 -1.14 0.00 0.00 176.83 176.35 2ka4 h SER 411 N -0.04 0.15 -0.98 3.07 0.02 -0.47 0.52 113.55 115.81 2ka4 h SER 411 Ca 0.04 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.21 2ka4 h SER 411 Cb 0.38 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.81 2ka4 h SER 411 CO 0.01 0.12 0.62 0.03 -1.14 0.00 0.00 176.83 176.46 2ka4 h ARG 412 N 0.23 0.59 0.21 3.45 2.47 -1.03 -1.62 114.38 118.67 2ka4 h ARG 412 Ca 0.10 -0.04 -0.33 0.00 -1.26 0.00 0.00 59.98 58.46 2ka4 h ARG 412 Cb 0.04 -0.13 0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2ka4 h ARG 412 CO -0.08 0.39 -1.53 0.37 0.56 0.00 0.00 179.97 179.67 2ka4 h GLN 413 N 0.60 0.44 -0.63 0.04 5.75 -1.22 -3.34 115.11 116.76 2ka4 h GLN 413 Ca 0.55 -0.75 0.05 0.00 -0.15 0.00 0.00 58.65 58.35 2ka4 h GLN 413 Cb 1.08 0.28 -0.05 0.00 1.07 0.00 0.00 27.48 29.86 2ka4 h GLN 413 CO -0.31 1.36 0.36 0.97 -2.65 0.00 0.00 178.83 178.55 2ka4 h ILE 414 N 0.04 0.99 -0.44 2.39 2.10 -0.18 -2.56 117.51 119.86 2ka4 h ILE 414 Ca -0.29 -0.23 0.05 0.00 1.08 0.00 0.00 64.86 65.47 2ka4 h ILE 414 Cb 2.06 0.26 -0.05 0.00 -1.09 0.00 0.00 36.82 38.01 2ka4 h ILE 414 CO 0.21 0.12 0.17 0.40 -1.08 0.00 0.00 178.15 177.97 2ka4 h ILE 415 N 0.67 0.88 -0.23 2.19 2.04 -1.50 -2.66 117.51 118.91 2ka4 h ILE 415 Ca 0.27 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 66.08 2ka4 h ILE 415 Cb 0.13 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2ka4 h ILE 415 CO -0.16 0.06 0.19 0.28 0.00 0.00 0.00 178.15 178.53 2ka4 h SER 416 N 0.35 0.00 0.30 1.72 0.02 -1.57 -1.94 113.55 112.41 2ka4 h SER 416 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2ka4 h SER 416 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2ka4 h SER 416 CO -0.19 0.00 -0.14 -0.74 -1.14 0.00 0.00 176.83 174.62 2ka4 h HIS 417 N 0.00 -0.37 -0.45 3.45 -0.00 -1.43 -3.27 115.15 113.08 2ka4 h HIS 417 Ca 0.11 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 2ka4 h HIS 417 Cb 0.49 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.00 2ka4 h HIS 417 CO 0.00 -0.04 0.30 2.35 -0.00 0.00 0.00 177.93 180.54 2ka4 h TRP 418 N -0.96 0.46 0.00 5.26 -0.00 -1.55 -0.10 115.95 119.06 2ka4 h TRP 418 Ca -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 2ka4 h TRP 418 Cb 0.50 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.50 2ka4 h TRP 418 CO 0.04 0.27 0.00 0.87 -0.00 0.00 0.00 178.44 179.62 2ka4 h LYS 419 N 0.48 0.00 0.00 2.65 1.79 -1.43 -3.32 116.57 116.74 2ka4 h LYS 419 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2ka4 h LYS 419 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2ka4 h LYS 419 CO -0.05 0.00 -0.45 0.09 -1.08 0.00 0.00 179.45 177.96 2ka4 n ASN 420 N -2.53 2.26 -4.72 0.86 3.02 -0.50 -5.08 115.26 108.57 2ka4 n ASN 420 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2ka4 n ASN 420 Cb 0.06 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 3.59 0.28 -0.82 0.00 -2.24 -1.26 -4.93 114.28 108.90 2ka4 n THR 422 Ca 0.10 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 2ka4 n THR 422 Cb 0.43 1.08 0.18 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.28 0.53 0.00 -0.78 1.81 -1.26 -4.99 118.95 113.98 2ka4 s ARG 423 Ca 0.00 1.11 0.15 0.00 -1.72 0.00 0.00 55.73 55.27 2ka4 s ARG 423 Cb 0.00 -1.70 0.18 0.00 -0.45 0.00 0.00 34.95 32.97 2ka4 s ARG 423 CO 0.00 -2.82 1.05 -2.39 -0.68 0.00 0.00 175.30 170.46 2ka4 n HIS 424 N -4.32 0.11 -1.04 -0.53 1.44 -1.26 -4.62 115.22 105.00 2ka4 n HIS 424 Ca 0.08 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2ka4 n HIS 424 Cb 0.54 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 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 0.88 0.00 -4.67 4.39 5.75 -1.26 -4.95 116.55 116.69 2ka4 n ASP 425 Ca 0.10 -1.00 -0.47 0.00 -0.01 0.00 0.00 54.79 53.41 2ka4 n ASP 425 Cb 0.41 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 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 7.45 0.63 0.00 0.00 0.13 -2.01 -0.93 132.00 137.27 2ka4 h PRO 427 Ca -0.47 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2ka4 h PRO 427 Cb 1.26 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2ka4 h PRO 427 CO 0.91 0.42 -0.34 0.28 -0.23 0.00 0.00 178.00 179.04 2ka4 h VAL 428 N 0.65 1.18 0.00 1.56 2.07 -1.91 -3.39 116.25 116.42 2ka4 h VAL 428 Ca 0.41 -2.01 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 2ka4 h VAL 428 Cb 0.48 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2ka4 h VAL 428 CO -0.30 0.40 -0.38 0.00 0.02 0.00 0.00 177.57 177.31 2ka4 n LEU 430 N -3.67 -0.66 -0.23 0.00 7.94 -0.36 -0.33 117.00 119.69 2ka4 n LEU 430 Ca -0.01 1.60 0.06 0.00 -1.11 0.00 0.00 56.01 56.55 2ka4 n LEU 430 Cb 0.48 -0.34 0.32 0.00 0.53 0.00 0.00 43.42 44.41 2ka4 n LEU 430 CO 0.37 -1.41 1.23 1.55 -1.11 0.00 0.00 177.39 178.02 2ka4 h PRO 431 N 0.00 0.81 -0.08 1.96 0.13 -1.86 -0.33 132.00 132.62 2ka4 h PRO 431 Ca 0.29 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 65.22 2ka4 h PRO 431 Cb 0.51 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.47 2ka4 h PRO 431 CO -0.90 0.53 -0.50 -0.07 -0.23 0.00 0.00 178.00 176.83 2ka4 h LEU 432 N 0.83 0.59 -1.41 1.56 4.07 -0.93 0.39 115.31 120.41 2ka4 h LEU 432 Ca 0.35 -0.66 0.07 0.00 0.08 0.00 0.00 57.88 57.71 2ka4 h LEU 432 Cb 0.29 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2ka4 h LEU 432 CO -0.13 1.16 0.46 0.11 -1.08 0.00 0.00 178.44 178.96 2ka4 h LYS 433 N 0.06 0.69 -0.01 1.13 1.79 -0.51 -1.39 116.57 118.34 2ka4 h LYS 433 Ca -0.04 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 2ka4 h LYS 433 Cb 1.16 -0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.66 2ka4 h LYS 433 CO 0.10 0.46 -0.28 -0.97 -1.08 0.00 0.00 179.45 177.68 2ka4 h ASN 434 N 0.72 0.28 -0.29 0.86 -0.73 -1.04 -2.40 115.58 112.97 2ka4 h ASN 434 Ca 0.30 -0.74 0.08 0.00 1.87 0.00 0.00 56.30 57.82 2ka4 h ASN 434 Cb 0.27 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2ka4 h ASN 434 CO -0.10 0.98 0.34 0.00 -0.37 0.00 0.00 177.43 178.28 2ka4 h ALA 435 N 0.30 1.92 -0.00 1.57 0.00 -0.24 -2.19 119.26 120.62 2ka4 h ALA 435 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ka4 h ALA 435 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ka4 h ALA 435 CO 0.06 -0.49 0.00 -1.13 0.00 0.00 0.00 179.25 177.68 2ka4 n SER 436 N -3.66 2.14 -4.71 0.00 3.41 -0.59 -5.07 113.62 105.14 2ka4 n SER 436 Ca 0.04 -2.39 -0.31 0.00 -0.26 0.00 0.00 58.87 55.96 2ka4 n SER 436 Cb 0.49 -0.15 0.14 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.66 3.50 -0.31 4.04 -1.08 -0.83 -5.02 116.67 115.32 2ka4 s ASP 437 Ca 0.12 2.02 0.18 0.00 -0.52 0.00 0.00 52.55 54.34 2ka4 s ASP 437 Cb 0.10 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 2ka4 s ASP 437 CO 0.01 -2.70 1.15 1.17 0.52 0.00 0.00 175.17 175.32 2ka4 n LYS 438 N -3.97 1.42 0.00 4.34 3.00 -1.26 -5.07 118.16 116.63 2ka4 n LYS 438 Ca 0.10 -2.88 0.00 0.00 -0.00 0.00 0.00 58.31 55.53 2ka4 n LYS 438 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.56 2ka4 n LYS 438 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94