#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 h THR 341 N 0.00 0.00 0.00 0.00 1.35 -1.99 -3.48 112.91 108.79 2ka4 h THR 341 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2ka4 h THR 341 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2ka4 h THR 341 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2ka4 n GLY 342 N -0.12 -1.40 0.28 5.82 0.00 -1.26 -5.01 105.19 103.49 2ka4 n GLY 342 Ca 0.00 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.99 -1.66 132.00 130.08 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 0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.08 2ka4 n THR 344 N -3.90 0.63 -2.21 1.56 -2.24 -1.26 -3.00 114.28 103.86 2ka4 n THR 344 Ca -0.03 0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 2ka4 n THR 344 Cb 0.15 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 -1.28 2.25 -1.52 6.98 0.00 -0.65 -5.06 120.51 121.23 2ka4 n ALA 345 Ca 0.06 -1.49 -0.47 0.00 0.00 0.00 0.00 53.44 51.54 2ka4 n ALA 345 Cb 0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 0.21 2.69 -0.30 0.00 -0.08 -1.06 -1.68 116.55 116.33 2ka4 n ASP 346 Ca 0.01 0.35 0.07 0.00 -1.51 0.00 0.00 54.79 53.71 2ka4 n ASP 346 Cb 0.88 -1.40 0.22 0.00 2.34 0.00 0.00 41.12 43.16 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 13.41 0.65 -0.21 -0.67 0.11 -1.94 -0.40 132.00 142.95 2ka4 h PRO 347 Ca -0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 2ka4 h PRO 347 Cb 1.28 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2ka4 h PRO 347 CO 0.99 0.43 -0.07 1.49 -0.21 0.00 0.00 178.00 180.63 2ka4 h GLU 348 N 0.67 0.42 -0.25 1.05 4.81 -2.00 -1.67 114.58 117.61 2ka4 h GLU 348 Ca 0.46 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2ka4 h GLU 348 Cb 0.63 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2ka4 h GLU 348 CO -0.35 0.68 0.15 -0.22 -0.73 0.00 0.00 179.01 178.54 2ka4 h LYS 349 N 0.13 0.34 -0.83 1.92 3.64 -1.89 -2.27 116.57 117.62 2ka4 h LYS 349 Ca 0.05 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.54 2ka4 h LYS 349 Cb 0.53 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.19 2ka4 h LYS 349 CO 0.02 0.28 0.42 -0.09 -2.27 0.00 0.00 179.45 177.81 2ka4 h ARG 350 N 0.31 0.59 -0.43 1.90 1.12 -1.03 -1.31 114.38 115.53 2ka4 h ARG 350 Ca 0.09 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2ka4 h ARG 350 Cb 0.03 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 2ka4 h ARG 350 CO -0.02 0.39 0.21 -0.22 -3.11 0.00 0.00 179.97 177.23 2ka4 h LYS 351 N 0.61 0.62 -0.06 0.20 3.64 -0.97 -3.03 116.57 117.58 2ka4 h LYS 351 Ca 0.45 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2ka4 h LYS 351 Cb 0.62 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2ka4 h LYS 351 CO -0.36 0.53 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.24 2ka4 h LEU 352 N 0.56 -0.14 -0.74 5.20 3.38 -0.67 -0.77 115.31 122.13 2ka4 h LEU 352 Ca 0.15 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2ka4 h LEU 352 Cb 0.11 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2ka4 h LEU 352 CO -0.02 -0.06 0.29 0.16 0.09 0.00 0.00 178.44 178.90 2ka4 h ILE 353 N -0.05 1.25 -0.61 1.22 -2.65 -1.54 -1.51 117.51 113.61 2ka4 h ILE 353 Ca 0.04 -0.80 0.07 0.00 1.03 0.00 0.00 64.86 65.20 2ka4 h ILE 353 Cb 0.11 0.39 -0.06 0.00 -2.05 0.00 0.00 36.82 35.22 2ka4 h ILE 353 CO -0.09 0.32 0.31 1.56 0.03 0.00 0.00 178.15 180.27 2ka4 h GLN 354 N 1.06 0.55 -0.12 0.16 4.20 -1.36 -1.20 115.11 118.40 2ka4 h GLN 354 Ca 0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2ka4 h GLN 354 Cb 0.22 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2ka4 h GLN 354 CO -0.02 0.36 0.02 1.96 -0.67 0.00 0.00 178.83 180.48 2ka4 h GLN 355 N 0.56 0.20 -0.60 1.46 4.20 -0.81 -1.70 115.11 118.41 2ka4 h GLN 355 Ca 0.28 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 2ka4 h GLN 355 Cb 0.23 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2ka4 h GLN 355 CO -0.21 0.40 0.26 0.37 -0.67 0.00 0.00 178.83 178.98 2ka4 h GLN 356 N -0.04 0.89 0.36 1.46 4.15 -1.14 -1.33 115.11 119.46 2ka4 h GLN 356 Ca 0.04 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 2ka4 h GLN 356 Cb 0.30 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2ka4 h GLN 356 CO 0.00 0.74 -0.35 1.25 -1.93 0.00 0.00 178.83 178.55 2ka4 h LEU 357 N 0.83 -0.94 -1.08 -2.39 6.46 -1.16 -2.16 115.31 114.87 2ka4 h LEU 357 Ca 0.20 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2ka4 h LEU 357 Cb 0.17 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 2ka4 h LEU 357 CO -0.02 -0.49 0.60 0.58 -0.62 0.00 0.00 178.44 178.49 2ka4 h VAL 358 N -0.73 1.24 -0.96 1.05 2.07 -1.27 -1.96 116.25 115.69 2ka4 h VAL 358 Ca -0.03 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2ka4 h VAL 358 Cb 0.66 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2ka4 h VAL 358 CO -0.05 0.23 0.61 -0.07 0.02 0.00 0.00 177.57 178.31 2ka4 h LEU 359 N 1.25 1.14 -0.35 2.57 3.38 -1.02 -0.72 115.31 121.56 2ka4 h LEU 359 Ca 0.34 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2ka4 h LEU 359 Cb -0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.32 2ka4 h LEU 359 CO -0.07 0.85 0.05 -0.07 0.09 0.00 0.00 178.44 179.29 2ka4 h LEU 360 N 1.32 0.56 -1.22 1.67 3.38 -0.90 -1.26 115.31 118.86 2ka4 h LEU 360 Ca 0.35 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2ka4 h LEU 360 Cb -0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2ka4 h LEU 360 CO -0.07 0.68 0.55 -0.07 0.09 0.00 0.00 178.44 179.62 2ka4 h LEU 361 N 0.41 0.84 0.45 1.67 3.38 -0.93 -1.09 115.31 120.04 2ka4 h LEU 361 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2ka4 h LEU 361 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2ka4 h LEU 361 CO 0.01 0.55 -0.22 -0.74 0.09 0.00 0.00 178.44 178.13 2ka4 h HIS 362 N 0.96 -0.57 -0.93 1.13 2.76 -1.00 -3.35 115.15 114.16 2ka4 h HIS 362 Ca 0.36 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.66 2ka4 h HIS 362 Cb 0.18 0.19 -0.08 0.00 1.55 0.00 0.00 27.41 29.25 2ka4 h HIS 362 CO -0.00 -0.25 0.59 0.00 -1.30 0.00 0.00 177.93 176.97 2ka4 h ALA 363 N -0.76 1.77 0.79 5.26 0.00 -0.92 -0.42 119.26 124.98 2ka4 h ALA 363 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ka4 h ALA 363 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ka4 h ALA 363 CO 0.10 -0.02 -0.48 1.25 0.00 0.00 0.00 179.25 180.10 2ka4 h HIS 364 N 0.75 -1.26 -0.09 0.00 6.17 -1.33 0.39 115.15 119.77 2ka4 h HIS 364 Ca 0.47 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.45 2ka4 h HIS 364 Cb 0.71 0.45 -0.01 0.00 2.52 0.00 0.00 27.41 31.07 2ka4 h HIS 364 CO -0.00 -0.72 -0.36 -0.22 0.71 0.00 0.00 177.93 177.34 2ka4 h LYS 365 N -1.19 0.19 -0.54 5.26 3.64 -1.64 -2.55 116.57 119.74 2ka4 h LYS 365 Ca -0.11 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2ka4 h LYS 365 Cb 0.95 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 2ka4 h LYS 365 CO 0.12 0.53 0.19 0.00 -2.27 0.00 0.00 179.45 178.01 2ka4 h GLN 367 N 0.77 0.00 0.11 0.00 5.75 -0.49 -2.11 115.11 119.15 2ka4 h GLN 367 Ca 0.18 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.33 2ka4 h GLN 367 Cb 0.20 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2ka4 h GLN 367 CO -0.01 0.00 -1.95 0.54 -2.65 0.00 0.00 178.83 174.76 2ka4 n ARG 368 N -2.39 0.75 -0.20 1.69 5.12 -0.43 -3.89 116.66 117.31 2ka4 n ARG 368 Ca 0.01 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 2ka4 n ARG 368 Cb 0.22 -1.72 0.11 0.00 -1.16 0.00 0.00 32.46 29.90 2ka4 n ARG 368 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2ka4 h ARG 369 N 0.06 0.35 -0.28 5.56 1.12 -0.55 0.76 114.38 121.41 2ka4 h ARG 369 Ca -0.40 -0.02 0.03 0.00 -1.11 0.00 0.00 59.98 58.47 2ka4 h ARG 369 Cb 2.03 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 31.89 2ka4 h ARG 369 CO 0.09 0.23 0.11 0.93 -3.11 0.00 0.00 179.97 178.23 2ka4 h GLU 370 N 0.36 0.24 -0.42 0.20 5.08 -1.57 -1.39 114.58 117.09 2ka4 h GLU 370 Ca 0.31 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2ka4 h GLU 370 Cb 0.40 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ka4 h GLU 370 CO -0.33 0.16 -0.21 0.37 -1.00 0.00 0.00 179.01 178.00 2ka4 h GLN 371 N 0.25 0.88 -0.60 2.33 5.75 -1.53 -2.92 115.11 119.26 2ka4 h GLN 371 Ca 0.12 -0.39 -0.10 0.00 -0.15 0.00 0.00 58.65 58.14 2ka4 h GLN 371 Cb 0.07 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2ka4 h GLN 371 CO -0.11 1.03 -0.00 0.00 -2.65 0.00 0.00 178.83 177.11 2ka4 h ALA 372 N 0.82 0.86 0.00 3.38 0.00 -0.75 -3.01 119.26 120.56 2ka4 h ALA 372 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2ka4 h ALA 372 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2ka4 h ALA 372 CO 0.06 0.67 -0.30 -0.97 0.00 0.00 0.00 179.25 178.71 2ka4 h ASN 373 N 0.96 0.00 -0.11 0.00 -1.24 -1.29 -3.47 115.58 110.44 2ka4 h ASN 373 Ca 0.17 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 2ka4 h ASN 373 Cb 0.55 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 2ka4 h ASN 373 CO 0.03 0.30 -0.04 0.61 -1.29 0.00 0.00 177.43 177.03 2ka4 n GLY 374 N 0.23 0.39 3.50 1.57 0.00 -1.10 -4.95 105.19 104.82 2ka4 n GLY 374 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2ka4 n GLY 374 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ka4 s GLU 375 N -1.58 0.75 -0.06 1.61 2.56 -1.26 -5.09 118.70 115.64 2ka4 s GLU 375 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 54.97 55.64 2ka4 s GLU 375 Cb 0.00 0.36 0.02 0.00 2.00 0.00 0.00 34.13 36.51 2ka4 s GLU 375 CO 0.00 -0.12 0.16 0.08 -0.56 0.00 0.00 175.26 174.82 2ka4 s VAL 376 N 0.06 -0.00 0.00 3.70 1.01 -1.26 -4.90 120.40 119.01 2ka4 s VAL 376 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2ka4 s VAL 376 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2ka4 s VAL 376 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 175.10 175.66 2ka4 n ARG 377 N 3.01 0.06 -3.36 2.72 3.00 -1.26 -5.17 116.66 115.66 2ka4 n ARG 377 Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.64 2ka4 n ARG 377 Cb 0.59 -0.54 0.02 0.00 0.00 0.00 0.00 32.46 32.53 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 -1.43 -1.46 -3.00 7.54 0.00 -1.26 -5.19 120.51 115.71 2ka4 n ALA 378 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2ka4 n ALA 378 Cb 0.04 0.87 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.04 0.30 -4.63 0.00 3.41 -1.26 -5.06 113.62 105.33 2ka4 n SER 380 Ca 0.00 -0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 57.43 2ka4 n SER 380 Cb 0.00 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ka4 s LEU 381 N -0.18 4.06 0.51 1.04 2.01 -1.26 -5.01 118.68 119.84 2ka4 s LEU 381 Ca 0.00 0.06 0.38 0.00 0.01 0.00 0.00 54.13 54.59 2ka4 s LEU 381 Cb 0.00 -2.10 1.55 0.00 0.01 0.00 0.00 46.19 45.65 2ka4 s LEU 381 CO 0.00 0.03 1.69 -0.65 1.01 0.00 0.00 176.35 178.43 2ka4 h PRO 382 N 7.76 0.05 0.00 1.29 0.11 -2.04 -2.74 132.00 136.43 2ka4 h PRO 382 Ca -0.37 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 2ka4 h PRO 382 Cb 1.18 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2ka4 h PRO 382 CO 0.62 0.04 -0.42 0.72 -0.21 0.00 0.00 178.00 178.75 2ka4 n HIS 383 N -4.25 0.00 -0.13 0.65 8.25 -1.26 -4.87 115.22 113.61 2ka4 n HIS 383 Ca 0.34 -0.63 -0.04 0.00 -0.26 0.00 0.00 57.72 57.13 2ka4 n HIS 383 Cb 1.51 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 32.53 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 0.57 0.01 0.00 -0.00 -1.89 -0.72 114.38 112.53 2ka4 h ARG 385 Ca 0.22 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.98 60.15 2ka4 h ARG 385 Cb 0.29 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.13 2ka4 h ARG 385 CO -0.31 0.40 -0.01 1.15 -0.00 0.00 0.00 179.97 181.21 2ka4 h THR 386 N 0.58 1.16 -0.40 0.08 2.02 -1.63 -1.85 112.91 112.86 2ka4 h THR 386 Ca 0.15 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2ka4 h THR 386 Cb -0.01 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2ka4 h THR 386 CO -0.03 0.13 0.15 0.24 0.37 0.00 0.00 175.52 176.38 2ka4 h MET 387 N -0.24 0.60 -0.62 6.66 2.86 -1.07 -1.20 114.93 121.92 2ka4 h MET 387 Ca -0.00 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2ka4 h MET 387 Cb 0.23 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2ka4 h MET 387 CO 0.00 0.58 0.36 0.87 1.06 0.00 0.00 176.91 179.79 2ka4 h LYS 388 N 0.50 0.68 -0.58 1.72 1.57 -1.11 0.80 116.57 120.16 2ka4 h LYS 388 Ca 0.13 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2ka4 h LYS 388 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2ka4 h LYS 388 CO -0.01 0.45 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.35 2ka4 h ASN 389 N 0.70 1.06 -0.35 0.86 2.35 -1.23 -1.54 115.58 117.43 2ka4 h ASN 389 Ca 0.26 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2ka4 h ASN 389 Cb 0.08 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2ka4 h ASN 389 CO -0.13 1.13 0.08 0.58 -1.65 0.00 0.00 177.43 177.45 2ka4 h VAL 390 N 0.96 1.22 -0.32 2.81 2.07 -0.67 -0.98 116.25 121.34 2ka4 h VAL 390 Ca 0.16 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2ka4 h VAL 390 Cb 0.63 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2ka4 h VAL 390 CO 0.04 0.26 0.10 -0.07 0.02 0.00 0.00 177.57 177.92 2ka4 h LEU 391 N 0.41 0.46 -0.64 2.57 3.38 -0.84 0.14 115.31 120.79 2ka4 h LEU 391 Ca 0.11 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2ka4 h LEU 391 Cb 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2ka4 h LEU 391 CO 0.00 0.55 0.41 -1.13 0.09 0.00 0.00 178.44 178.36 2ka4 h ASN 392 N 0.35 0.69 0.34 -0.43 -0.73 -1.23 -1.48 115.58 113.09 2ka4 h ASN 392 Ca 0.10 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 2ka4 h ASN 392 Cb 0.25 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2ka4 h ASN 392 CO -0.00 0.48 -0.16 -0.74 -0.37 0.00 0.00 177.43 176.64 2ka4 h HIS 393 N 0.82 -0.42 -0.94 0.67 2.76 -0.94 -3.00 115.15 114.11 2ka4 h HIS 393 Ca 0.25 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.61 2ka4 h HIS 393 Cb -0.03 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 28.99 2ka4 h HIS 393 CO -0.04 -0.26 0.61 0.52 -1.30 0.00 0.00 177.93 177.46 2ka4 h MET 394 N -0.45 0.49 0.00 5.26 2.86 -0.71 0.69 114.93 123.06 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 0.35 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2ka4 h MET 394 CO 0.08 0.32 0.00 1.15 1.06 0.00 0.00 176.91 179.52 2ka4 h THR 395 N 0.50 0.00 0.00 2.22 2.02 -1.12 -3.21 112.91 113.32 2ka4 h THR 395 Ca 0.50 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2ka4 h THR 395 Cb 1.11 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2ka4 h THR 395 CO -0.23 0.00 -0.61 1.41 0.37 0.00 0.00 175.52 176.47 2ka4 n HIS 396 N -2.58 0.00 -1.91 3.16 8.25 -0.29 -5.07 115.22 116.77 2ka4 n HIS 396 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2ka4 n HIS 396 Cb 0.19 0.00 0.01 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 -0.12 0.09 0.00 0.00 6.02 -1.26 -4.89 117.38 117.22 2ka4 n GLN 398 Ca 0.05 -0.67 0.13 0.00 -0.01 0.00 0.00 57.00 56.50 2ka4 n GLN 398 Cb 0.43 -0.52 0.67 0.00 1.02 0.00 0.00 30.24 31.84 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 -0.02 2.32 -0.98 -1.58 0.00 -1.26 -5.01 120.51 113.98 2ka4 n ALA 399 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2ka4 n ALA 399 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2ka4 n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka4 n GLY 400 N 0.82 3.23 0.03 0.00 0.00 -1.26 -2.51 105.19 105.50 2ka4 n GLY 400 Ca 0.14 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2ka4 n GLY 400 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ka4 n LYS 401 N 13.97 0.06 -0.24 1.61 5.02 -1.26 -3.34 118.16 133.97 2ka4 n LYS 401 Ca 0.00 0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.62 2ka4 n LYS 401 Cb 0.00 -1.60 0.27 0.00 -0.02 0.00 0.00 35.03 33.68 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka4 n ALA 402 N -1.58 2.43 -1.67 7.82 0.00 -1.04 -5.01 120.51 121.45 2ka4 n ALA 402 Ca 0.04 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 2ka4 n ALA 402 Cb 0.24 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 2.66 0.00 -5.64 0.00 5.75 -1.95 -3.42 115.11 112.51 2ka4 h GLN 404 Ca -0.44 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.43 2ka4 h GLN 404 Cb 1.30 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.71 2ka4 h GLN 404 CO 0.64 0.07 0.50 0.08 -2.65 0.00 0.00 178.83 177.48 2ka4 s VAL 405 N -3.41 4.42 0.46 2.39 1.01 -1.26 -4.94 120.40 119.07 2ka4 s VAL 405 Ca 0.04 0.01 0.21 0.00 0.00 0.00 0.00 61.98 62.24 2ka4 s VAL 405 Cb 0.07 -4.56 0.40 0.00 0.00 0.00 0.00 36.38 32.30 2ka4 s VAL 405 CO 0.63 -1.18 1.88 0.00 0.00 0.00 0.00 175.10 176.43 2ka4 h ALA 406 N 9.35 2.37 0.00 5.51 0.00 -2.02 -1.62 119.26 132.84 2ka4 h ALA 406 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ka4 h ALA 406 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ka4 h ALA 406 CO 1.10 -0.62 -0.38 0.45 0.00 0.00 0.00 179.25 179.80 2ka4 h HIS 407 N 0.28 0.00 0.28 0.00 3.86 -1.97 -3.35 115.15 114.24 2ka4 h HIS 407 Ca 0.43 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 2ka4 h HIS 407 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2ka4 h HIS 407 CO -0.00 0.00 -0.13 0.00 0.86 0.00 0.00 177.93 178.66 2ka4 h ALA 409 N -1.68 1.84 0.14 0.00 0.00 -1.77 -0.63 119.26 117.16 2ka4 h ALA 409 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ka4 h ALA 409 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ka4 h ALA 409 CO 0.06 0.09 -0.07 0.66 0.00 0.00 0.00 179.25 179.99 2ka4 h SER 410 N 0.52 -0.16 -0.61 0.00 4.64 -1.70 -3.10 113.55 113.14 2ka4 h SER 410 Ca 0.22 -0.33 0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2ka4 h SER 410 Cb 0.23 0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 2ka4 h SER 410 CO -0.06 0.27 0.21 0.28 -0.87 0.00 0.00 176.83 176.66 2ka4 h SER 411 N -0.63 0.19 -0.90 4.97 0.02 -0.92 0.81 113.55 117.09 2ka4 h SER 411 Ca -0.02 0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.19 2ka4 h SER 411 Cb 0.48 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 2ka4 h SER 411 CO 0.03 0.11 0.58 0.03 -1.14 0.00 0.00 176.83 176.45 2ka4 h ARG 412 N 0.38 0.53 0.14 3.45 3.08 -1.18 -2.03 114.38 118.77 2ka4 h ARG 412 Ca 0.31 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 60.04 2ka4 h ARG 412 Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2ka4 h ARG 412 CO -0.32 0.35 -1.46 0.37 -1.07 0.00 0.00 179.97 177.85 2ka4 h GLN 413 N 0.55 0.30 -0.87 0.04 5.75 -1.23 -3.38 115.11 116.27 2ka4 h GLN 413 Ca 0.47 -0.52 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2ka4 h GLN 413 Cb 0.95 0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 2ka4 h GLN 413 CO -0.21 1.25 0.57 0.97 -2.65 0.00 0.00 178.83 178.76 2ka4 h ILE 414 N -0.18 1.16 -0.28 2.39 2.10 -0.45 -2.89 117.51 119.37 2ka4 h ILE 414 Ca -0.30 -0.38 0.02 0.00 1.08 0.00 0.00 64.86 65.27 2ka4 h ILE 414 Cb 1.86 -0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.52 2ka4 h ILE 414 CO 0.11 0.20 0.15 0.40 -1.08 0.00 0.00 178.15 177.93 2ka4 h ILE 415 N 1.12 1.00 -0.07 2.19 2.04 -1.58 -2.78 117.51 119.43 2ka4 h ILE 415 Ca 0.34 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 66.12 2ka4 h ILE 415 Cb -0.03 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ka4 h ILE 415 CO -0.11 0.06 0.11 0.28 0.00 0.00 0.00 178.15 178.49 2ka4 h SER 416 N 0.31 0.00 0.27 1.72 0.02 -1.68 -2.95 113.55 111.23 2ka4 h SER 416 Ca 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 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 -0.07 0.00 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.75 2ka4 h HIS 417 N 0.00 -0.33 0.00 3.45 -0.00 -1.53 -3.24 115.15 113.50 2ka4 h HIS 417 Ca 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2ka4 h HIS 417 Cb 0.25 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2ka4 h HIS 417 CO 0.00 0.03 -0.08 2.35 -0.00 0.00 0.00 177.93 180.24 2ka4 h TRP 418 N -0.82 0.00 0.00 5.26 2.91 -1.65 -0.62 115.95 121.03 2ka4 h TRP 418 Ca -0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.98 2ka4 h TRP 418 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2ka4 h TRP 418 CO 0.04 0.08 0.00 1.63 -1.03 0.00 0.00 178.44 179.16 2ka4 n LYS 419 N -4.28 0.06 0.00 2.65 5.02 -1.13 -4.19 118.16 116.30 2ka4 n LYS 419 Ca -0.03 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2ka4 n LYS 419 Cb 0.16 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ka4 n ASN 420 N -1.74 2.34 -4.77 4.39 3.02 -0.65 -5.09 115.26 112.76 2ka4 n ASN 420 Ca 0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.22 2ka4 n ASN 420 Cb 0.18 0.18 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2ka4 n ASN 420 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka4 n THR 422 N -0.96 0.00 -1.74 0.00 -2.24 -1.26 -4.94 114.28 103.14 2ka4 n THR 422 Ca 0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 2ka4 n THR 422 Cb 0.50 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.00 4.11 0.00 -0.78 6.06 -1.26 -4.90 118.95 122.18 2ka4 s ARG 423 Ca 0.00 2.51 0.02 0.00 -2.50 0.00 0.00 55.73 55.76 2ka4 s ARG 423 Cb 0.00 -4.14 0.10 0.00 0.06 0.00 0.00 34.95 30.98 2ka4 s ARG 423 CO 0.00 -0.98 1.07 -2.39 -2.50 0.00 0.00 175.30 170.51 2ka4 n HIS 424 N 7.61 0.00 -1.00 5.12 1.44 -1.26 -2.64 115.22 124.49 2ka4 n HIS 424 Ca 0.20 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.95 2ka4 n HIS 424 Cb 0.42 -0.50 0.06 0.00 0.12 0.00 0.00 29.99 30.09 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 -1.50 1.45 -4.66 4.39 5.68 -1.26 -4.82 116.55 115.83 2ka4 n ASP 425 Ca 0.01 -2.31 -0.50 0.00 -0.50 0.00 0.00 54.79 51.48 2ka4 n ASP 425 Cb 0.03 -0.22 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 2ka4 n ASP 425 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ka4 h PRO 427 N 6.65 0.00 0.00 0.00 0.10 -1.98 -1.19 132.00 135.58 2ka4 h PRO 427 Ca -0.47 0.00 -0.10 0.00 0.10 0.00 0.00 66.00 65.53 2ka4 h PRO 427 Cb 1.29 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.37 2ka4 h PRO 427 CO 0.89 0.00 -1.39 0.28 0.10 0.00 0.00 178.00 177.87 2ka4 n VAL 428 N -3.22 0.40 0.17 3.15 0.31 -1.26 -4.68 118.33 113.20 2ka4 n VAL 428 Ca 0.02 -0.16 0.04 0.00 -0.01 0.00 0.00 64.34 64.23 2ka4 n VAL 428 Cb 0.51 -0.76 0.28 0.00 -0.91 0.00 0.00 33.84 32.96 2ka4 n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka4 n LEU 430 N -3.57 -0.93 0.02 0.00 -0.00 -0.46 -0.56 117.00 111.50 2ka4 n LEU 430 Ca -0.00 1.76 0.08 0.00 -0.00 0.00 0.00 56.01 57.85 2ka4 n LEU 430 Cb 0.54 -0.28 0.50 0.00 -0.00 0.00 0.00 43.42 44.19 2ka4 n LEU 430 CO 0.38 -1.48 1.15 1.55 -0.00 0.00 0.00 177.39 179.00 2ka4 h PRO 431 N 0.00 0.37 -0.06 1.96 0.13 -1.87 0.23 132.00 132.75 2ka4 h PRO 431 Ca 0.21 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 2ka4 h PRO 431 Cb 0.46 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.52 2ka4 h PRO 431 CO -0.95 0.24 -0.37 -0.07 -0.23 0.00 0.00 178.00 176.63 2ka4 h LEU 432 N 0.38 0.44 -2.27 1.56 4.07 -1.15 0.11 115.31 118.44 2ka4 h LEU 432 Ca 0.17 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2ka4 h LEU 432 Cb 0.18 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 2ka4 h LEU 432 CO -0.04 1.03 0.01 0.11 -1.08 0.00 0.00 178.44 178.47 2ka4 h LYS 433 N -0.13 0.00 0.14 1.13 1.57 -0.33 -1.04 116.57 117.91 2ka4 h LYS 433 Ca -0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.49 2ka4 h LYS 433 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.35 2ka4 h LYS 433 CO 0.08 0.00 -1.29 -0.97 -0.57 0.00 0.00 179.45 176.70 2ka4 h ASN 434 N 0.00 0.45 -0.38 0.86 -0.73 -0.93 -2.96 115.58 111.90 2ka4 h ASN 434 Ca 0.00 -0.89 0.11 0.00 1.87 0.00 0.00 56.30 57.39 2ka4 h ASN 434 Cb 0.02 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 2ka4 h ASN 434 CO -0.00 1.58 0.30 0.00 -0.37 0.00 0.00 177.43 178.94 2ka4 h ALA 435 N 0.01 2.28 -0.31 1.57 0.00 -0.07 -2.39 119.26 120.35 2ka4 h ALA 435 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ka4 h ALA 435 Cb 1.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2ka4 h ALA 435 CO 0.11 -0.49 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 2ka4 n SER 436 N -4.26 2.82 -4.63 0.00 3.41 -0.46 -5.05 113.62 105.45 2ka4 n SER 436 Ca 0.06 -1.97 -0.30 0.00 -0.26 0.00 0.00 58.87 56.40 2ka4 n SER 436 Cb 0.48 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.99 2.53 0.00 4.04 2.15 -0.90 -4.88 116.67 118.62 2ka4 s ASP 437 Ca 0.21 1.75 -0.02 0.00 0.43 0.00 0.00 52.55 54.93 2ka4 s ASP 437 Cb 0.11 -2.37 -0.08 0.00 -0.30 0.00 0.00 42.92 40.28 2ka4 s ASP 437 CO 0.15 -3.27 1.86 0.29 -0.17 0.00 0.00 175.17 174.02 2ka4 n LYS 438 N -4.32 0.94 0.00 4.34 4.76 -1.26 -5.07 118.16 117.55 2ka4 n LYS 438 Ca 0.07 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 2ka4 n LYS 438 Cb 0.54 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2ka4 n LYS 438 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57