#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kqb s PRO 364 N 0.00 4.47 -0.04 1.61 0.04 -1.26 -5.04 135.00 134.78 2kqb s PRO 364 Ca 0.00 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2kqb s PRO 364 Cb 0.00 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.30 2kqb s PRO 364 CO 0.00 -0.13 -0.06 -1.17 0.04 0.00 0.00 177.00 175.68 2kqb s LEU 365 N 0.03 1.44 0.00 -3.56 2.96 -1.26 -5.11 118.68 113.19 2kqb s LEU 365 Ca 0.54 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2kqb s LEU 365 Cb -0.32 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 45.87 2kqb s LEU 365 CO 0.35 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 2kqb n GLY 366 N 3.89 3.59 2.61 7.98 0.00 -1.26 -5.09 105.19 116.90 2kqb n GLY 366 Ca -0.24 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 43.83 2kqb n GLY 366 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kqb s SER 367 N 0.00 2.85 -0.22 1.61 1.04 -1.26 -4.96 113.70 112.76 2kqb s SER 367 Ca 0.00 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 2kqb s SER 367 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2kqb s SER 367 CO 0.00 -0.41 0.24 0.61 0.98 0.00 0.00 173.24 174.66 2kqb n GLY 368 N 5.27 -0.76 2.57 7.32 0.00 -1.26 -5.05 105.19 113.28 2kqb n GLY 368 Ca -0.05 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2kqb n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kqb s SER 369 N -2.02 1.65 -0.32 1.61 0.01 -1.26 -4.84 113.70 108.53 2kqb s SER 369 Ca 0.04 -2.18 0.01 0.00 1.31 0.00 0.00 55.95 55.14 2kqb s SER 369 Cb -0.01 0.08 0.10 0.00 0.21 0.00 0.00 66.02 66.40 2kqb s SER 369 CO 0.27 -0.24 0.07 -1.61 0.41 0.00 0.00 173.24 172.15 2kqb s GLU 370 N 0.92 1.06 -0.27 12.44 2.02 -1.25 -4.96 118.70 128.66 2kqb s GLU 370 Ca 0.22 -1.41 0.22 0.00 0.02 0.00 0.00 54.97 54.03 2kqb s GLU 370 Cb -0.12 -2.51 0.50 0.00 0.10 0.00 0.00 34.13 32.09 2kqb s GLU 370 CO -0.06 -0.96 1.10 0.41 0.02 0.00 0.00 175.26 175.77 2kqb n GLY 371 N 4.59 1.74 2.02 -1.39 0.00 -1.26 -4.58 105.19 106.32 2kqb n GLY 371 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2kqb n GLY 371 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kqb n ASN 372 N -0.53 -0.40 -2.84 1.61 3.02 -1.26 -5.07 115.26 109.79 2kqb n ASN 372 Ca 0.07 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.68 2kqb n ASN 372 Cb 0.81 0.54 0.01 0.00 -0.61 0.00 0.00 39.78 40.53 2kqb n ASN 372 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kqb n LYS 373 N -2.74 0.63 -3.93 3.52 3.00 -1.26 -5.15 118.16 112.23 2kqb n LYS 373 Ca 0.00 -2.09 -0.09 0.00 -0.00 0.00 0.00 58.31 56.13 2kqb n LYS 373 Cb 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 35.03 33.49 2kqb n LYS 373 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2kqb s VAL 374 N 0.56 0.15 -0.84 3.15 1.01 -1.26 -5.09 120.40 118.07 2kqb s VAL 374 Ca 0.32 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.70 2kqb s VAL 374 Cb 0.12 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 35.10 2kqb s VAL 374 CO -0.15 -0.66 1.14 -0.54 0.00 0.00 0.00 175.10 174.89 2kqb s LYS 375 N -3.90 3.41 0.81 2.72 1.02 -1.26 -4.90 119.74 117.63 2kqb s LYS 375 Ca 0.08 -1.23 -0.14 0.00 0.02 0.00 0.00 55.97 54.70 2kqb s LYS 375 Cb 0.05 -4.72 0.06 0.00 -0.52 0.00 0.00 37.83 32.71 2kqb s LYS 375 CO -0.09 -1.89 1.06 0.54 -0.92 0.00 0.00 175.35 174.05 2kqb n ARG 376 N 7.56 0.18 -2.91 1.68 1.74 -1.26 -4.96 116.66 118.68 2kqb n ARG 376 Ca 0.15 0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.96 2kqb n ARG 376 Cb 0.48 -2.32 -0.06 0.00 -1.02 0.00 0.00 32.46 29.55 2kqb n ARG 376 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kqb s THR 377 N -2.10 4.37 0.87 0.55 -1.32 -1.25 -4.26 115.64 112.50 2kqb s THR 377 Ca 0.71 1.80 -0.14 0.00 -1.21 0.00 0.00 61.69 62.85 2kqb s THR 377 Cb -0.29 -4.19 -0.01 0.00 -1.51 0.00 0.00 72.50 66.50 2kqb s THR 377 CO 0.53 0.48 0.33 -1.54 -2.21 0.00 0.00 174.62 172.21 2kqb n SER 378 N 1.85 -2.17 -4.84 8.08 3.41 -1.26 0.11 113.62 118.79 2kqb n SER 378 Ca -0.04 0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 58.66 2kqb n SER 378 Cb 0.49 -1.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.28 2kqb n SER 378 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kqb h MET 380 N -0.03 0.12 0.05 0.00 -0.00 -1.92 -2.55 114.93 110.59 2kqb h MET 380 Ca -0.45 -0.02 -0.24 0.00 -0.00 0.00 0.00 59.70 58.99 2kqb h MET 380 Cb 1.20 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.76 2kqb h MET 380 CO 0.60 0.19 -1.16 1.88 -0.00 0.00 0.00 176.91 178.42 2kqb h TYR 381 N 0.12 0.17 0.00 -0.10 0.05 -1.93 -3.48 116.97 111.80 2kqb h TYR 381 Ca 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2kqb h TYR 381 Cb 0.19 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2kqb h TYR 381 CO 0.00 1.11 0.00 0.41 -1.05 0.00 0.00 178.16 178.63 2kqb n GLY 382 N 1.44 2.01 0.50 3.88 0.00 -0.96 -3.17 105.19 108.88 2kqb n GLY 382 Ca -0.05 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2kqb n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kqb n ALA 383 N 2.30 2.69 -0.86 4.61 0.00 -1.26 -4.10 120.51 123.90 2kqb n ALA 383 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 52.95 2kqb n ALA 383 Cb 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 19.45 19.12 2kqb n ALA 383 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kqb n ASN 384 N 0.47 2.93 -4.53 0.00 3.02 -1.19 -5.06 115.26 110.90 2kqb n ASN 384 Ca 0.08 -2.87 -0.48 0.00 -0.03 0.00 0.00 54.58 51.28 2kqb n ASN 384 Cb 0.35 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2kqb n ASN 384 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kqb n TYR 386 N 0.64 0.00 -1.78 0.00 0.18 -1.26 -5.03 117.16 109.91 2kqb n TYR 386 Ca 0.14 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.55 2kqb n TYR 386 Cb 0.26 -0.24 0.06 0.00 -0.38 0.00 0.00 39.34 39.04 2kqb n TYR 386 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2kqb s ARG 387 N -2.13 2.64 -0.57 -3.48 3.03 -1.26 -4.97 118.95 112.21 2kqb s ARG 387 Ca -0.09 2.05 0.07 0.00 2.03 0.00 0.00 55.73 59.79 2kqb s ARG 387 Cb 0.02 -1.88 0.26 0.00 -1.03 0.00 0.00 34.95 32.32 2kqb s ARG 387 CO 0.14 -1.52 0.71 0.36 -1.13 0.00 0.00 175.30 173.86 2kqb n LYS 388 N -1.81 2.11 -4.17 3.89 2.85 -1.26 -5.08 118.16 114.69 2kqb n LYS 388 Ca 0.15 -4.31 -0.29 0.00 -1.05 0.00 0.00 58.31 52.81 2kqb n LYS 388 Cb 0.48 -2.00 -0.08 0.00 -0.65 0.00 0.00 35.03 32.78 2kqb n LYS 388 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2kqb s ASN 389 N -2.24 4.84 -0.01 -5.58 2.47 -1.26 -5.07 114.94 108.10 2kqb s ASN 389 Ca 0.39 -0.29 -0.02 0.00 0.42 0.00 0.00 52.86 53.36 2kqb s ASN 389 Cb 0.17 -1.08 -0.01 0.00 -1.45 0.00 0.00 41.25 38.88 2kqb s ASN 389 CO -0.04 0.14 0.32 1.55 -3.72 0.00 0.00 177.10 175.35 2kqb h PRO 390 N 3.18 -0.07 -1.75 0.43 0.13 -2.01 -3.25 132.00 128.65 2kqb h PRO 390 Ca -0.48 0.00 0.53 0.00 -0.87 0.00 0.00 66.00 65.19 2kqb h PRO 390 Cb 1.18 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2kqb h PRO 390 CO 0.58 -0.05 1.22 -0.24 -0.23 0.00 0.00 178.00 179.28 2kqb h VAL 391 N -0.21 0.03 -0.45 1.56 3.04 -2.00 0.83 116.25 119.04 2kqb h VAL 391 Ca -0.01 -0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.55 2kqb h VAL 391 Cb 0.06 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.34 2kqb h VAL 391 CO 0.01 0.00 -0.22 -0.74 -1.01 0.00 0.00 177.57 175.62 2kqb h HIS 392 N 0.01 1.05 -0.21 3.17 6.17 -1.97 -2.63 115.15 120.75 2kqb h HIS 392 Ca 0.91 -0.25 -0.00 0.00 0.71 0.00 0.00 60.37 61.73 2kqb h HIS 392 Cb 3.40 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 33.07 2kqb h HIS 392 CO -0.00 1.04 0.11 0.74 0.71 0.00 0.00 177.93 180.53 2kqb h PHE 393 N 0.80 0.27 0.00 5.26 0.04 0.66 0.28 116.94 124.24 2kqb h PHE 393 Ca 0.11 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 2kqb h PHE 393 Cb 0.77 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2kqb h PHE 393 CO 0.05 0.19 -0.53 1.96 -0.60 0.00 0.00 178.31 179.38 2kqb h GLN 394 N 0.28 0.00 0.04 1.51 7.50 -1.37 -3.32 115.11 119.74 2kqb h GLN 394 Ca 0.07 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.88 2kqb h GLN 394 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.50 2kqb h GLN 394 CO -0.01 0.53 -2.03 0.72 -1.50 0.00 0.00 178.83 176.54 2kqb n HIS 395 N -3.47 0.75 -4.89 2.96 8.25 -0.74 -3.77 115.22 114.30 2kqb n HIS 395 Ca 0.00 0.21 -0.33 0.00 -0.26 0.00 0.00 57.72 57.35 2kqb n HIS 395 Cb 0.64 -1.12 -0.13 0.00 1.12 0.00 0.00 29.99 30.50 2kqb n HIS 395 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2kqb s PHE 396 N -2.55 2.70 0.49 4.41 0.40 0.01 -3.93 117.98 119.51 2kqb s PHE 396 Ca -0.15 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.00 2kqb s PHE 396 Cb 0.07 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.98 2kqb s PHE 396 CO 0.78 0.19 0.73 0.45 0.70 0.00 0.00 175.22 178.07 2kqb s SER 397 N -0.76 5.71 0.07 1.36 0.15 0.30 -4.53 113.70 115.99 2kqb s SER 397 Ca 0.12 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.12 2kqb s SER 397 Cb -0.11 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 2kqb s SER 397 CO 0.01 -0.83 -0.05 -1.00 1.20 0.00 0.00 173.24 172.56 2kqb s HIS 398 N -2.68 0.66 0.38 3.44 3.76 -1.26 -0.20 115.29 119.39 2kqb s HIS 398 Ca 0.51 -0.89 -0.28 0.00 -0.15 0.00 0.00 55.06 54.24 2kqb s HIS 398 Cb -0.10 -0.42 -0.10 0.00 1.11 0.00 0.00 32.58 33.06 2kqb s HIS 398 CO 0.40 -0.24 1.42 -1.25 -0.85 0.00 0.00 174.74 174.22 2kqb s PRO 399 N -3.39 4.11 0.00 8.40 0.04 -1.26 -2.20 135.00 140.70 2kqb s PRO 399 Ca 0.05 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2kqb s PRO 399 Cb 0.03 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2kqb s PRO 399 CO -0.06 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2kqb n GLY 400 N 0.57 0.59 3.59 0.56 0.00 -1.26 -5.06 105.19 104.18 2kqb n GLY 400 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2kqb n GLY 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kqb s ASP 401 N -2.90 4.65 0.58 1.61 -1.08 -0.94 -5.00 116.67 113.59 2kqb s ASP 401 Ca 0.00 -0.09 0.30 0.00 -0.52 0.00 0.00 52.55 52.23 2kqb s ASP 401 Cb 0.00 -1.12 1.44 0.00 -1.46 0.00 0.00 42.92 41.78 2kqb s ASP 401 CO 0.00 0.32 1.84 -1.28 0.52 0.00 0.00 175.17 176.57 2kqb h SER 402 N 4.82 0.00 -0.60 -0.34 0.87 -1.97 -1.04 113.55 115.28 2kqb h SER 402 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2kqb h SER 402 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kqb h SER 402 CO 0.53 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.30 2kqb n ASP 403 N -3.80 3.67 -4.64 6.23 9.92 -1.26 -5.00 116.55 121.67 2kqb n ASP 403 Ca 0.12 -1.99 -0.56 0.00 -0.53 0.00 0.00 54.79 51.84 2kqb n ASP 403 Cb 0.82 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.84 2kqb n ASP 403 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kqb n TYR 404 N 1.42 1.69 0.10 1.24 9.36 -0.40 -4.23 117.16 126.34 2kqb n TYR 404 Ca 0.21 0.65 -0.04 0.00 3.32 0.00 0.00 57.90 62.05 2kqb n TYR 404 Cb 0.58 -2.36 0.02 0.00 -0.63 0.00 0.00 39.34 36.95 2kqb n TYR 404 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2kqb h GLY 405 N 5.57 0.00 0.00 2.98 0.00 -1.89 -3.49 103.07 106.24 2kqb h GLY 405 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2kqb h GLY 405 CO 0.86 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.01 2kqb n GLY 406 N 0.86 0.49 2.54 4.60 0.00 -1.26 -4.87 105.19 107.55 2kqb n GLY 406 Ca -0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 2kqb n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kqb s VAL 407 N 0.00 0.35 -0.43 1.61 1.01 -1.26 -4.87 120.40 116.81 2kqb s VAL 407 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.38 2kqb s VAL 407 Cb 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 36.38 35.25 2kqb s VAL 407 CO 0.00 -0.90 0.24 -1.10 0.00 0.00 0.00 175.10 173.35 2kqb s GLN 408 N 1.21 1.17 -1.00 2.72 -0.21 -1.26 -5.03 119.66 117.26 2kqb s GLN 408 Ca 0.15 -1.92 -0.02 0.00 0.02 0.00 0.00 55.36 53.59 2kqb s GLN 408 Cb -0.21 -2.14 0.30 0.00 1.00 0.00 0.00 33.01 31.95 2kqb s GLN 408 CO -0.09 -1.18 1.33 -0.89 -2.12 0.00 0.00 175.29 172.34 2kqb n ILE 409 N 3.57 4.77 -3.72 1.08 5.41 -1.26 -4.87 119.36 124.34 2kqb n ILE 409 Ca 0.10 -5.79 -0.33 0.00 1.00 0.00 0.00 62.75 57.73 2kqb n ILE 409 Cb 0.35 -2.10 -0.08 0.00 -0.71 0.00 0.00 39.64 37.10 2kqb n ILE 409 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2kqb s VAL 410 N -2.67 3.90 0.00 1.39 1.01 -1.26 -4.81 120.40 117.96 2kqb s VAL 410 Ca 0.32 -4.03 0.00 0.00 0.00 0.00 0.00 61.98 58.28 2kqb s VAL 410 Cb 0.06 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2kqb s VAL 410 CO 0.08 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 174.72 2kqb n GLY 411 N 2.18 2.21 5.00 4.51 0.00 -1.26 -4.92 105.19 112.91 2kqb n GLY 411 Ca 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2kqb n GLY 411 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kqb n GLN 412 N 0.00 0.00 -1.41 1.61 1.13 -1.26 -4.38 117.38 113.06 2kqb n GLN 412 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 2kqb n GLN 412 Cb 0.00 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.43 2kqb n GLN 412 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kqb n ASP 413 N 3.47 6.69 -2.78 1.08 8.00 -1.26 -4.58 116.55 127.17 2kqb n ASP 413 Ca 0.00 -3.77 -0.11 0.00 0.71 0.00 0.00 54.79 51.63 2kqb n ASP 413 Cb 0.00 -0.85 0.03 0.00 -0.02 0.00 0.00 41.12 40.28 2kqb n ASP 413 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kqb n GLU 414 N -0.92 1.11 -3.12 -1.24 2.13 -1.26 -4.99 120.64 112.36 2kqb n GLU 414 Ca 0.58 -3.10 -0.32 0.00 0.66 0.00 0.00 57.16 54.98 2kqb n GLU 414 Cb 0.82 -1.22 -0.04 0.00 0.27 0.00 0.00 31.44 31.28 2kqb n GLU 414 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2kqb n THR 415 N -0.03 3.63 -3.92 6.31 -2.24 -1.26 -4.95 114.28 111.83 2kqb n THR 415 Ca 0.11 -5.56 -0.29 0.00 -2.27 0.00 0.00 64.05 56.04 2kqb n THR 415 Cb 0.79 -1.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.04 2kqb n THR 415 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kqb s ASP 416 N -2.46 4.62 0.00 3.42 1.11 -1.26 -5.14 116.67 116.97 2kqb s ASP 416 Ca 0.40 -3.46 0.00 0.00 0.18 0.00 0.00 52.55 49.67 2kqb s ASP 416 Cb 0.17 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.51 2kqb s ASP 416 CO -0.03 -0.16 0.27 -0.67 1.18 0.00 0.00 175.17 175.76