#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 0.78 -4.26 0.00 -2.24 -1.26 -4.95 114.28 102.35 2ka4 n THR 341 Ca 0.00 -0.94 -0.18 0.00 -2.27 0.00 0.00 64.05 60.66 2ka4 n THR 341 Cb 0.00 0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.78 2.12 0.58 3.38 0.00 -1.26 -5.06 107.32 105.30 2ka4 s GLY 342 Ca 0.13 -1.98 0.30 0.00 0.00 0.00 0.00 44.72 43.17 2ka4 s GLY 342 CO 0.01 -1.45 2.22 -0.56 0.00 0.00 0.00 173.10 173.32 2ka4 h PRO 343 N 2.26 0.00 0.00 2.90 0.13 -1.98 -2.15 132.00 133.15 2ka4 h PRO 343 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ka4 h PRO 343 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ka4 h PRO 343 CO 0.40 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.45 2ka4 n THR 344 N -3.73 0.99 -2.03 1.56 -2.24 -1.26 -3.08 114.28 104.50 2ka4 n THR 344 Ca -0.03 0.43 0.01 0.00 -2.27 0.00 0.00 64.05 62.19 2ka4 n THR 344 Cb 0.12 -1.38 0.01 0.00 -2.10 0.00 0.00 70.33 66.98 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 -1.74 2.06 -1.41 6.98 0.00 -0.84 -5.01 120.51 120.55 2ka4 n ALA 345 Ca 0.01 -1.22 -0.54 0.00 0.00 0.00 0.00 53.44 51.69 2ka4 n ALA 345 Cb 0.14 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 0.01 1.79 -0.30 0.00 -0.08 -1.01 -4.86 116.55 112.10 2ka4 n ASP 346 Ca 0.01 0.53 0.05 0.00 -1.51 0.00 0.00 54.79 53.87 2ka4 n ASP 346 Cb 0.75 -1.16 0.20 0.00 2.34 0.00 0.00 41.12 43.25 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 11.12 0.75 -0.19 -0.67 0.11 -1.93 -0.26 132.00 140.92 2ka4 h PRO 347 Ca -0.24 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 2ka4 h PRO 347 Cb 1.35 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ka4 h PRO 347 CO 1.03 0.50 -0.37 1.49 -0.21 0.00 0.00 178.00 180.44 2ka4 h GLU 348 N 0.77 0.59 -0.33 1.05 4.57 -1.99 -1.67 114.58 117.57 2ka4 h GLU 348 Ca 0.43 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2ka4 h GLU 348 Cb 0.48 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2ka4 h GLU 348 CO -0.29 0.99 0.16 -0.22 -1.18 0.00 0.00 179.01 178.48 2ka4 h LYS 349 N 0.27 0.48 -0.64 1.92 3.64 -1.91 -1.70 116.57 118.62 2ka4 h LYS 349 Ca 0.01 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.45 2ka4 h LYS 349 Cb 0.97 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.60 2ka4 h LYS 349 CO 0.08 0.44 0.09 -0.09 -2.27 0.00 0.00 179.45 177.70 2ka4 h ARG 350 N 0.40 0.19 -0.23 1.90 2.43 -1.00 -0.59 114.38 117.48 2ka4 h ARG 350 Ca 0.11 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2ka4 h ARG 350 Cb 0.12 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2ka4 h ARG 350 CO -0.01 0.13 -0.18 0.87 -1.51 0.00 0.00 179.97 179.26 2ka4 h LYS 351 N 0.20 0.40 0.07 0.20 1.57 -1.05 -2.66 116.57 115.30 2ka4 h LYS 351 Ca 0.34 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2ka4 h LYS 351 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2ka4 h LYS 351 CO -0.49 0.58 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.87 2ka4 h LEU 352 N 0.37 -0.08 -0.88 2.94 3.38 -0.17 -0.52 115.31 120.35 2ka4 h LEU 352 Ca 0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2ka4 h LEU 352 Cb 0.54 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2ka4 h LEU 352 CO 0.04 0.24 0.17 0.16 0.09 0.00 0.00 178.44 179.14 2ka4 h ILE 353 N -0.40 1.25 -0.39 1.22 -2.65 -1.54 -1.66 117.51 113.33 2ka4 h ILE 353 Ca -0.01 -0.89 0.04 0.00 1.03 0.00 0.00 64.86 65.04 2ka4 h ILE 353 Cb 0.35 0.57 -0.04 0.00 -2.05 0.00 0.00 36.82 35.65 2ka4 h ILE 353 CO 0.01 0.34 0.15 1.56 0.03 0.00 0.00 178.15 180.24 2ka4 h GLN 354 N 0.95 0.31 -0.27 0.16 4.20 -1.41 -1.74 115.11 117.30 2ka4 h GLN 354 Ca 0.21 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2ka4 h GLN 354 Cb 0.32 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2ka4 h GLN 354 CO -0.00 0.20 -0.19 1.96 -0.67 0.00 0.00 178.83 180.13 2ka4 h GLN 355 N 0.32 0.62 -0.42 1.46 4.20 -0.82 -2.25 115.11 118.22 2ka4 h GLN 355 Ca 0.18 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2ka4 h GLN 355 Cb 0.14 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2ka4 h GLN 355 CO -0.17 0.88 0.20 0.37 -0.67 0.00 0.00 178.83 179.45 2ka4 h GLN 356 N 0.35 0.60 -0.21 1.46 4.15 -1.26 -1.26 115.11 118.93 2ka4 h GLN 356 Ca 0.05 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2ka4 h GLN 356 Cb 0.73 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 2ka4 h GLN 356 CO 0.05 0.52 -0.15 1.25 -1.93 0.00 0.00 178.83 178.58 2ka4 h LEU 357 N 0.53 -0.47 -0.63 -2.39 5.85 -1.30 -1.21 115.31 115.68 2ka4 h LEU 357 Ca 0.14 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 2ka4 h LEU 357 Cb 0.12 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2ka4 h LEU 357 CO -0.02 -0.18 0.09 0.58 -0.34 0.00 0.00 178.44 178.56 2ka4 h VAL 358 N -0.14 1.26 -0.91 1.05 2.07 -1.32 -2.17 116.25 116.10 2ka4 h VAL 358 Ca 0.12 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.63 2ka4 h VAL 358 Cb 0.32 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2ka4 h VAL 358 CO -0.30 0.39 0.60 -0.07 0.02 0.00 0.00 177.57 178.20 2ka4 h LEU 359 N 0.97 1.00 -0.18 2.57 3.38 -0.81 -0.60 115.31 121.65 2ka4 h LEU 359 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ka4 h LEU 359 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2ka4 h LEU 359 CO 0.02 0.70 0.06 -0.07 0.09 0.00 0.00 178.44 179.23 2ka4 h LEU 360 N 1.17 0.26 -1.07 1.67 3.38 -1.06 -1.63 115.31 118.03 2ka4 h LEU 360 Ca 0.36 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2ka4 h LEU 360 Cb -0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2ka4 h LEU 360 CO -0.11 0.38 0.62 -0.07 0.09 0.00 0.00 178.44 179.36 2ka4 h LEU 361 N 0.12 0.99 0.66 1.67 3.38 -0.96 0.41 115.31 121.58 2ka4 h LEU 361 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ka4 h LEU 361 Cb 0.21 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ka4 h LEU 361 CO -0.00 0.64 -0.32 -0.74 0.09 0.00 0.00 178.44 178.11 2ka4 h HIS 362 N 1.13 -0.82 -0.76 1.13 2.76 -1.01 -3.29 115.15 114.29 2ka4 h HIS 362 Ca 0.41 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.68 2ka4 h HIS 362 Cb 0.16 0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.34 2ka4 h HIS 362 CO -0.00 -0.47 0.50 0.00 -1.30 0.00 0.00 177.93 176.66 2ka4 h ALA 363 N -0.94 1.93 -0.76 5.26 0.00 -0.98 -0.65 119.26 123.12 2ka4 h ALA 363 Ca -0.09 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2ka4 h ALA 363 Cb 0.72 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2ka4 h ALA 363 CO 0.15 -0.11 0.40 1.25 0.00 0.00 0.00 179.25 180.94 2ka4 h HIS 364 N 0.57 0.72 0.06 0.00 6.17 -0.98 -0.53 115.15 121.15 2ka4 h HIS 364 Ca 0.36 0.03 -0.32 0.00 0.71 0.00 0.00 60.37 61.16 2ka4 h HIS 364 Cb 0.63 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.32 2ka4 h HIS 364 CO -0.00 0.26 -1.75 -0.22 0.71 0.00 0.00 177.93 176.93 2ka4 h LYS 365 N 0.66 0.13 -0.66 5.26 3.64 -1.57 -3.37 116.57 120.67 2ka4 h LYS 365 Ca 0.38 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2ka4 h LYS 365 Cb 0.40 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2ka4 h LYS 365 CO -0.27 0.85 0.34 0.00 -2.27 0.00 0.00 179.45 178.10 2ka4 h GLN 367 N 0.92 0.80 0.00 0.00 -0.00 -1.26 -1.73 115.11 113.83 2ka4 h GLN 367 Ca 0.23 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.80 2ka4 h GLN 367 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 27.35 2ka4 h GLN 367 CO -0.03 0.53 -0.15 0.00 0.00 0.00 0.00 178.83 179.18 2ka4 h ARG 368 N 0.83 0.00 0.11 1.69 2.47 -1.46 -1.52 114.38 116.50 2ka4 h ARG 368 Ca 0.29 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 2ka4 h ARG 368 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2ka4 h ARG 368 CO -0.09 0.15 -0.05 0.00 0.56 0.00 0.00 179.97 180.54 2ka4 h ARG 369 N 0.00 -0.14 -0.29 0.04 3.08 -1.24 -3.31 114.38 112.52 2ka4 h ARG 369 Ca -0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2ka4 h ARG 369 Cb 0.30 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2ka4 h ARG 369 CO 0.02 0.32 0.16 0.93 -1.07 0.00 0.00 179.97 180.33 2ka4 h GLU 370 N -0.68 0.32 -0.03 0.04 5.08 -1.23 -0.47 114.58 117.60 2ka4 h GLU 370 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ka4 h GLU 370 Cb 0.53 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2ka4 h GLU 370 CO 0.02 0.21 0.03 -0.56 -1.00 0.00 0.00 179.01 177.72 2ka4 h GLN 371 N 0.33 0.00 0.09 2.33 3.07 -1.43 0.14 115.11 119.64 2ka4 h GLN 371 Ca 0.11 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.51 2ka4 h GLN 371 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 2ka4 h GLN 371 CO -0.06 0.00 -1.90 0.00 0.09 0.00 0.00 178.83 176.96 2ka4 h ALA 372 N 1.97 0.52 -0.27 0.06 0.00 -1.58 -3.40 119.26 116.57 2ka4 h ALA 372 Ca 0.02 -1.40 -0.15 0.00 0.00 0.00 0.00 54.91 53.37 2ka4 h ALA 372 Cb 0.08 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ka4 h ALA 372 CO -0.00 1.38 -0.43 -0.97 0.00 0.00 0.00 179.25 179.24 2ka4 h ASN 373 N 0.05 0.84 0.00 0.00 -1.24 -0.63 -3.46 115.58 111.14 2ka4 h ASN 373 Ca -0.38 -0.52 0.00 0.00 0.71 0.00 0.00 56.30 56.11 2ka4 h ASN 373 Cb 2.03 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.84 2ka4 h ASN 373 CO 0.09 1.20 0.00 0.61 -1.29 0.00 0.00 177.43 178.04 2ka4 n GLY 374 N 0.32 0.00 3.79 1.57 0.00 -0.45 -5.01 105.19 105.42 2ka4 n GLY 374 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -5.81 -3.97 1.61 1.02 0.35 -5.00 120.64 108.84 2ka4 n GLU 375 Ca 0.00 0.64 -0.09 0.00 -0.02 0.00 0.00 57.16 57.69 2ka4 n GLU 375 Cb 0.00 -5.56 -0.10 0.00 -0.02 0.00 0.00 31.44 25.76 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 -3.28 0.12 -0.14 2.62 0.11 -1.26 -4.99 120.40 113.59 2ka4 s VAL 376 Ca 0.63 -1.02 -0.32 0.00 -2.93 0.00 0.00 61.98 58.34 2ka4 s VAL 376 Cb -0.31 -0.54 -0.09 0.00 -1.53 0.00 0.00 36.38 33.91 2ka4 s VAL 376 CO 0.77 -0.56 2.06 0.54 -3.33 0.00 0.00 175.10 174.58 2ka4 n ARG 377 N 1.27 2.09 -2.69 1.54 5.12 -1.26 -4.78 116.66 117.95 2ka4 n ARG 377 Ca -0.22 0.69 -0.06 0.00 -1.93 0.00 0.00 57.85 56.33 2ka4 n ARG 377 Cb 0.56 -2.89 0.04 0.00 -1.16 0.00 0.00 32.46 29.01 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ka4 n ALA 378 N 8.96 3.20 -3.82 7.54 0.00 -1.26 -5.10 120.51 130.03 2ka4 n ALA 378 Ca 0.27 -3.05 -0.12 0.00 0.00 0.00 0.00 53.44 50.54 2ka4 n ALA 378 Cb 0.36 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.00 0.09 -4.69 0.00 7.64 -1.26 -5.07 113.62 108.33 2ka4 n SER 380 Ca -0.01 -0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.05 2ka4 n SER 380 Cb 0.28 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2ka4 s LEU 381 N -0.41 4.38 0.54 -3.43 1.98 -1.26 -4.89 118.68 115.59 2ka4 s LEU 381 Ca 0.00 2.59 0.48 0.00 -2.89 0.00 0.00 54.13 54.31 2ka4 s LEU 381 Cb 0.00 -3.56 1.70 0.00 0.66 0.00 0.00 46.19 44.98 2ka4 s LEU 381 CO 0.00 -0.93 1.54 -2.65 -1.89 0.00 0.00 176.35 172.42 2ka4 n PRO 382 N 5.60 -0.00 -0.47 0.98 -0.02 -1.26 -1.66 135.00 138.16 2ka4 n PRO 382 Ca 0.16 1.09 0.05 0.00 -2.02 0.00 0.00 63.50 62.78 2ka4 n PRO 382 Cb 0.40 -2.47 0.07 0.00 -0.02 0.00 0.00 33.50 31.48 2ka4 n PRO 382 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ka4 n HIS 383 N -3.97 0.00 -0.07 6.00 8.25 -1.26 -4.89 115.22 119.29 2ka4 n HIS 383 Ca 0.44 -0.55 -0.07 0.00 -0.26 0.00 0.00 57.72 57.28 2ka4 n HIS 383 Cb 1.96 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 32.95 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 -0.03 0.83 -0.05 0.00 -0.00 -1.90 0.01 114.38 113.24 2ka4 h ARG 385 Ca 0.13 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.98 60.06 2ka4 h ARG 385 Cb 0.23 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.97 30.02 2ka4 h ARG 385 CO -0.29 0.55 0.01 1.15 -0.00 0.00 0.00 179.97 181.39 2ka4 h THR 386 N 0.86 1.17 -0.29 0.08 2.02 -1.71 -1.14 112.91 113.90 2ka4 h THR 386 Ca 0.25 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2ka4 h THR 386 Cb -0.05 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2ka4 h THR 386 CO -0.06 0.14 0.07 0.24 0.37 0.00 0.00 175.52 176.28 2ka4 h MET 387 N -0.12 0.46 -0.74 6.66 2.86 -1.03 -2.15 114.93 120.87 2ka4 h MET 387 Ca 0.02 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2ka4 h MET 387 Cb 0.21 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 2ka4 h MET 387 CO -0.00 0.54 0.42 0.87 1.06 0.00 0.00 176.91 179.80 2ka4 h LYS 388 N 0.30 0.74 -0.35 1.72 1.57 -0.92 0.17 116.57 119.80 2ka4 h LYS 388 Ca 0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2ka4 h LYS 388 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2ka4 h LYS 388 CO 0.00 0.49 0.12 -0.91 -0.57 0.00 0.00 179.45 178.58 2ka4 h ASN 389 N 0.76 0.50 -0.62 0.86 2.35 -1.12 -1.31 115.58 117.00 2ka4 h ASN 389 Ca 0.34 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2ka4 h ASN 389 Cb 0.23 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2ka4 h ASN 389 CO -0.20 0.56 0.12 0.58 -1.65 0.00 0.00 177.43 176.83 2ka4 h VAL 390 N 0.41 1.26 -0.17 2.81 2.07 -0.77 -1.91 116.25 119.95 2ka4 h VAL 390 Ca 0.11 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 2ka4 h VAL 390 Cb 0.23 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2ka4 h VAL 390 CO -0.01 0.37 -0.16 -0.07 0.02 0.00 0.00 177.57 177.72 2ka4 h LEU 391 N 0.98 0.44 -0.96 2.57 3.38 -0.57 -0.04 115.31 121.11 2ka4 h LEU 391 Ca 0.20 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2ka4 h LEU 391 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ka4 h LEU 391 CO 0.01 0.83 0.07 0.78 0.09 0.00 0.00 178.44 180.21 2ka4 h ASN 392 N 0.06 0.78 -0.03 -0.43 2.35 -1.26 -1.92 115.58 115.14 2ka4 h ASN 392 Ca 0.03 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2ka4 h ASN 392 Cb 0.70 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2ka4 h ASN 392 CO 0.04 0.81 0.02 -0.74 -1.65 0.00 0.00 177.43 175.91 2ka4 h HIS 393 N 0.79 0.04 -1.00 1.19 2.76 -1.19 -2.81 115.15 114.93 2ka4 h HIS 393 Ca 0.16 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.52 2ka4 h HIS 393 Cb 0.38 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 29.22 2ka4 h HIS 393 CO 0.02 0.07 0.62 0.52 -1.30 0.00 0.00 177.93 177.85 2ka4 h MET 394 N 0.00 0.75 0.00 5.26 2.86 -0.69 0.31 114.93 123.42 2ka4 h MET 394 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2ka4 h MET 394 Cb 0.04 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2ka4 h MET 394 CO -0.00 0.50 0.00 2.41 1.06 0.00 0.00 176.91 180.87 2ka4 n THR 395 N -4.73 0.63 0.00 2.22 -1.04 -0.75 -2.89 114.28 107.73 2ka4 n THR 395 Ca 0.23 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 2ka4 n THR 395 Cb 0.55 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 -1.22 0.00 -1.93 -1.42 8.25 -0.35 -5.09 115.22 113.46 2ka4 n HIS 396 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 2ka4 n HIS 396 Cb 0.06 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 -0.67 0.16 0.00 0.00 6.02 -1.26 -4.88 117.38 116.75 2ka4 n GLN 398 Ca 0.08 -0.37 0.14 0.00 -0.01 0.00 0.00 57.00 56.84 2ka4 n GLN 398 Cb 0.45 -0.58 0.57 0.00 1.02 0.00 0.00 30.24 31.71 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 -0.04 2.79 -0.71 -1.58 0.00 -1.26 -5.03 120.51 114.67 2ka4 n ALA 399 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2ka4 n ALA 399 Cb 0.34 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.33 2.81 0.00 0.00 0.00 -1.26 -2.42 105.19 105.65 2ka4 n GLY 400 Ca 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 14.00 0.10 -0.15 1.61 2.85 -1.26 -2.91 118.16 132.40 2ka4 n LYS 401 Ca 0.00 0.22 0.05 0.00 -1.05 0.00 0.00 58.31 57.53 2ka4 n LYS 401 Cb 0.00 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.01 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 -1.29 2.21 -1.69 0.58 0.00 -1.01 -4.97 120.51 114.33 2ka4 n ALA 402 Ca 0.03 -1.06 -0.39 0.00 0.00 0.00 0.00 53.44 52.02 2ka4 n ALA 402 Cb 0.06 -0.41 0.04 0.00 0.00 0.00 0.00 19.45 19.14 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 1.29 0.00 -6.54 0.00 4.20 -1.95 -3.44 115.11 108.66 2ka4 h GLN 404 Ca -0.49 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.65 2ka4 h GLN 404 Cb 1.32 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.04 2ka4 h GLN 404 CO 0.56 0.05 0.92 0.08 -0.67 0.00 0.00 178.83 179.77 2ka4 s VAL 405 N -3.32 4.26 0.40 -0.54 1.01 -1.26 -4.94 120.40 116.02 2ka4 s VAL 405 Ca 0.05 1.36 0.18 0.00 0.00 0.00 0.00 61.98 63.57 2ka4 s VAL 405 Cb 0.06 -4.47 0.39 0.00 0.00 0.00 0.00 36.38 32.36 2ka4 s VAL 405 CO 0.64 -0.78 1.80 0.00 0.00 0.00 0.00 175.10 176.77 2ka4 h ALA 406 N 9.02 2.21 0.00 5.51 0.00 -2.03 -2.41 119.26 131.56 2ka4 h ALA 406 Ca -0.23 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2ka4 h ALA 406 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2ka4 h ALA 406 CO 1.09 -0.57 -1.36 0.72 0.00 0.00 0.00 179.25 179.13 2ka4 n HIS 407 N -4.57 0.99 0.24 0.00 8.25 -1.26 -4.31 115.22 114.56 2ka4 n HIS 407 Ca 0.23 0.32 -0.10 0.00 -0.26 0.00 0.00 57.72 57.92 2ka4 n HIS 407 Cb 0.80 -1.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.68 1.81 -0.12 0.00 0.00 -1.80 -0.72 119.26 116.75 2ka4 h ALA 409 Ca -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ka4 h ALA 409 Cb 0.48 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ka4 h ALA 409 CO 0.10 0.07 -0.04 0.77 0.00 0.00 0.00 179.25 180.15 2ka4 h SER 410 N 0.61 0.25 -0.51 0.00 0.02 -1.74 -3.03 113.55 109.16 2ka4 h SER 410 Ca 0.29 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2ka4 h SER 410 Cb 0.34 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2ka4 h SER 410 CO -0.09 0.57 0.26 0.28 -1.14 0.00 0.00 176.83 176.71 2ka4 h SER 411 N -0.08 0.39 -0.81 3.07 0.02 -0.32 0.85 113.55 116.66 2ka4 h SER 411 Ca 0.03 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.17 2ka4 h SER 411 Cb 0.47 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.85 2ka4 h SER 411 CO 0.01 0.27 0.35 0.03 -1.14 0.00 0.00 176.83 176.35 2ka4 h ARG 412 N 0.52 0.46 0.13 3.45 3.08 -1.16 -1.33 114.38 119.52 2ka4 h ARG 412 Ca 0.22 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 60.03 2ka4 h ARG 412 Cb 0.11 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.08 2ka4 h ARG 412 CO -0.14 0.30 -0.89 0.37 -1.07 0.00 0.00 179.97 178.54 2ka4 h GLN 413 N 0.47 0.37 -0.65 0.04 5.75 -1.33 -3.33 115.11 116.44 2ka4 h GLN 413 Ca 0.46 -0.58 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2ka4 h GLN 413 Cb 0.74 0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.44 2ka4 h GLN 413 CO -0.43 1.26 0.34 0.97 -2.65 0.00 0.00 178.83 178.31 2ka4 h ILE 414 N -0.21 0.92 0.31 2.39 2.10 -0.38 -2.70 117.51 119.93 2ka4 h ILE 414 Ca -0.15 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2ka4 h ILE 414 Cb 1.67 0.25 -0.03 0.00 -1.09 0.00 0.00 36.82 37.62 2ka4 h ILE 414 CO 0.17 0.11 -0.44 0.40 -1.08 0.00 0.00 178.15 177.31 2ka4 h ILE 415 N 0.61 0.12 -0.42 2.19 2.04 -1.42 -2.94 117.51 117.70 2ka4 h ILE 415 Ca 0.30 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.28 2ka4 h ILE 415 Cb 0.23 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2ka4 h ILE 415 CO -0.21 0.00 0.38 0.28 0.00 0.00 0.00 178.15 178.61 2ka4 h SER 416 N -0.81 0.00 0.45 1.72 0.02 -1.59 -1.97 113.55 111.38 2ka4 h SER 416 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2ka4 h SER 416 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2ka4 h SER 416 CO -0.14 0.00 -0.22 -0.74 -1.14 0.00 0.00 176.83 174.59 2ka4 h HIS 417 N 0.00 -0.56 -0.93 3.45 -0.00 -1.42 -3.19 115.15 112.50 2ka4 h HIS 417 Ca 0.20 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.64 2ka4 h HIS 417 Cb 0.96 0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 28.49 2ka4 h HIS 417 CO 0.00 -0.35 0.57 2.35 -0.00 0.00 0.00 177.93 180.51 2ka4 h TRP 418 N -0.83 1.05 0.00 5.26 2.91 -1.51 -0.10 115.95 122.74 2ka4 h TRP 418 Ca -0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2ka4 h TRP 418 Cb 0.46 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 2ka4 h TRP 418 CO 0.05 0.48 0.00 1.63 -1.03 0.00 0.00 178.44 179.57 2ka4 n LYS 419 N -4.62 0.00 0.00 2.65 4.76 -0.77 -3.78 118.16 116.40 2ka4 n LYS 419 Ca 0.15 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2ka4 n LYS 419 Cb 0.25 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ka4 n ASN 420 N -1.49 2.37 -4.62 4.39 3.02 -0.69 -5.06 115.26 113.17 2ka4 n ASN 420 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 2ka4 n ASN 420 Cb 0.09 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 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 7.00 0.00 -1.77 0.00 -2.24 -1.26 -4.94 114.28 111.07 2ka4 n THR 422 Ca 0.25 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.60 2ka4 n THR 422 Cb 0.44 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.98 3.79 0.00 -0.78 0.52 -1.26 -4.89 118.95 113.35 2ka4 s ARG 423 Ca 0.11 2.22 0.16 0.00 -0.52 0.00 0.00 55.73 57.70 2ka4 s ARG 423 Cb 0.17 -4.18 0.83 0.00 0.52 0.00 0.00 34.95 32.29 2ka4 s ARG 423 CO 0.71 -1.33 1.42 -2.39 0.02 0.00 0.00 175.30 173.72 2ka4 n HIS 424 N 8.84 0.00 -0.81 -0.53 1.44 -1.26 -3.13 115.22 119.77 2ka4 n HIS 424 Ca 0.22 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.96 2ka4 n HIS 424 Cb 0.43 -0.21 0.05 0.00 0.12 0.00 0.00 29.99 30.37 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 -1.21 1.49 -4.69 4.39 5.75 -1.26 -4.85 116.55 116.17 2ka4 n ASP 425 Ca 0.09 -2.19 -0.45 0.00 -0.01 0.00 0.00 54.79 52.23 2ka4 n ASP 425 Cb 0.11 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 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 5.97 0.00 0.00 0.00 0.11 -1.98 -1.69 132.00 134.41 2ka4 h PRO 427 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2ka4 h PRO 427 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2ka4 h PRO 427 CO 0.89 0.00 -1.28 0.28 -0.21 0.00 0.00 178.00 177.69 2ka4 n VAL 428 N -2.91 0.28 0.14 3.15 0.31 -1.26 -4.71 118.33 113.32 2ka4 n VAL 428 Ca -0.02 -0.11 0.01 0.00 -0.01 0.00 0.00 64.34 64.20 2ka4 n VAL 428 Cb 0.18 -0.69 0.15 0.00 -0.91 0.00 0.00 33.84 32.57 2ka4 n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka4 h LEU 430 N 0.00 -1.49 -1.74 0.00 5.85 -1.59 0.23 115.31 116.57 2ka4 h LEU 430 Ca -0.01 0.30 0.01 0.00 0.84 0.00 0.00 57.88 59.02 2ka4 h LEU 430 Cb 1.19 0.75 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 2ka4 h LEU 430 CO 0.08 -0.29 0.18 1.55 -0.34 0.00 0.00 178.44 179.62 2ka4 h PRO 431 N -0.04 0.35 -0.05 5.25 0.13 -1.86 -0.17 132.00 135.61 2ka4 h PRO 431 Ca 0.30 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 65.17 2ka4 h PRO 431 Cb 0.57 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.63 2ka4 h PRO 431 CO -0.92 0.23 -0.92 -0.07 -0.23 0.00 0.00 178.00 176.08 2ka4 h LEU 432 N 0.36 0.82 -1.55 1.56 4.07 -1.04 -0.81 115.31 118.73 2ka4 h LEU 432 Ca 0.10 -0.61 -0.04 0.00 0.08 0.00 0.00 57.88 57.42 2ka4 h LEU 432 Cb -0.01 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 2ka4 h LEU 432 CO -0.02 1.41 -0.10 0.11 -1.08 0.00 0.00 178.44 178.76 2ka4 h LYS 433 N 0.40 0.17 0.25 1.13 1.57 -0.11 0.40 116.57 120.38 2ka4 h LYS 433 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2ka4 h LYS 433 Cb 1.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2ka4 h LYS 433 CO 0.18 0.28 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.31 2ka4 h ASN 434 N 0.17 -0.29 -0.90 0.86 2.35 -1.01 -3.34 115.58 113.41 2ka4 h ASN 434 Ca 0.04 -0.23 0.22 0.00 -0.55 0.00 0.00 56.30 55.77 2ka4 h ASN 434 Cb 0.28 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.60 2ka4 h ASN 434 CO 0.02 0.20 0.40 0.00 -1.65 0.00 0.00 177.43 176.40 2ka4 h ALA 435 N -0.48 1.45 -0.16 -0.83 0.00 -0.53 0.15 119.26 118.85 2ka4 h ALA 435 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ka4 h ALA 435 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ka4 h ALA 435 CO 0.06 -0.34 0.00 0.45 0.00 0.00 0.00 179.25 179.42 2ka4 n SER 436 N -5.03 0.91 0.06 0.00 2.88 0.08 -4.48 113.62 108.03 2ka4 n SER 436 Ca 0.22 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 2ka4 n SER 436 Cb 0.66 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ka4 n ASP 437 N -0.01 -0.39 -3.38 -3.46 2.03 -0.59 -5.07 116.55 105.68 2ka4 n ASP 437 Ca 0.06 0.23 -0.16 0.00 0.52 0.00 0.00 54.79 55.43 2ka4 n ASP 437 Cb 0.15 0.50 -0.09 0.00 -0.72 0.00 0.00 41.12 40.96 2ka4 n ASP 437 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ka4 s LYS 438 N -2.00 0.41 0.00 -0.67 -0.14 0.41 -5.12 119.74 112.63 2ka4 s LYS 438 Ca 0.00 -0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 2ka4 s LYS 438 Cb 0.00 -0.62 0.00 0.00 -1.68 0.00 0.00 37.83 35.53 2ka4 s LYS 438 CO 0.00 -1.07 0.27 0.54 -0.76 0.00 0.00 175.35 174.33