#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 4.07 -0.30 1.61 0.04 -1.26 -4.90 135.00 134.26 2kqb s PRO 364 Ca 0.00 1.67 0.19 0.00 0.04 0.00 0.00 61.00 62.90 2kqb s PRO 364 Cb 0.00 -3.88 0.48 0.00 0.04 0.00 0.00 34.50 31.14 2kqb s PRO 364 CO 0.00 -0.94 1.04 -0.11 0.04 0.00 0.00 177.00 177.03 2kqb n LEU 365 N 7.29 1.82 -4.28 -3.56 7.94 -1.26 -5.04 117.00 119.90 2kqb n LEU 365 Ca 0.16 -3.55 -0.42 0.00 -1.11 0.00 0.00 56.01 51.09 2kqb n LEU 365 Cb 0.45 0.37 -0.08 0.00 0.53 0.00 0.00 43.42 44.69 2kqb n LEU 365 CO 0.60 1.40 -0.02 -0.83 -1.11 0.00 0.00 177.39 177.43 2kqb s GLY 366 N -3.45 2.02 0.27 -3.96 0.00 -1.26 -4.84 107.32 96.10 2kqb s GLY 366 Ca 0.29 -2.31 0.00 0.00 0.00 0.00 0.00 44.72 42.71 2kqb s GLY 366 CO -0.01 1.06 0.00 1.44 0.00 0.00 0.00 173.10 175.59 2kqb n SER 367 N 5.01 -0.02 0.00 1.64 7.64 -1.26 -5.16 113.62 121.47 2kqb n SER 367 Ca -0.10 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2kqb n SER 367 Cb 0.42 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2kqb n SER 367 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kqb n GLY 368 N 1.76 0.13 2.79 0.23 0.00 -1.26 -5.01 105.19 103.83 2kqb n GLY 368 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 2kqb n GLY 368 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kqb s SER 369 N -4.00 1.78 -0.36 1.61 0.15 -1.26 -5.04 113.70 106.58 2kqb s SER 369 Ca 0.00 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 56.62 2kqb s SER 369 Cb 0.00 -0.52 0.39 0.00 -1.71 0.00 0.00 66.02 64.18 2kqb s SER 369 CO 0.00 -0.19 0.81 -0.62 1.20 0.00 0.00 173.24 174.44 2kqb n GLU 370 N 5.11 1.09 -2.66 5.44 1.02 -1.26 -4.90 120.64 124.47 2kqb n GLU 370 Ca -0.08 -3.38 -0.05 0.00 -0.02 0.00 0.00 57.16 53.63 2kqb n GLU 370 Cb 0.50 -1.57 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 2kqb n GLU 370 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kqb n GLY 371 N 0.15 2.78 2.02 0.62 0.00 -1.26 -4.54 105.19 104.96 2kqb n GLY 371 Ca 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.62 -0.45 -3.18 1.61 3.02 -1.26 -5.04 115.26 109.35 2kqb n ASN 372 Ca 0.15 0.19 -0.22 0.00 -0.03 0.00 0.00 54.58 54.67 2kqb n ASN 372 Cb 0.84 0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 40.52 2kqb n ASN 372 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2kqb n LYS 373 N -2.79 0.78 -3.89 3.52 5.02 -1.26 -5.11 118.16 114.43 2kqb n LYS 373 Ca 0.00 -3.23 -0.09 0.00 -2.02 0.00 0.00 58.31 52.97 2kqb n LYS 373 Cb 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 2kqb n LYS 373 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kqb s VAL 374 N -1.46 0.14 -0.92 -0.18 1.01 -1.26 -5.09 120.40 112.63 2kqb s VAL 374 Ca 0.36 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 2kqb s VAL 374 Cb 0.22 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 35.28 2kqb s VAL 374 CO -0.10 -0.64 1.19 -0.54 0.00 0.00 0.00 175.10 175.01 2kqb s LYS 375 N -3.88 3.55 0.68 2.72 1.02 -1.26 -4.85 119.74 117.71 2kqb s LYS 375 Ca 0.07 -1.51 -0.17 0.00 0.02 0.00 0.00 55.97 54.38 2kqb s LYS 375 Cb 0.05 -4.95 0.00 0.00 -0.52 0.00 0.00 37.83 32.41 2kqb s LYS 375 CO -0.09 -1.88 1.15 0.54 -0.92 0.00 0.00 175.35 174.14 2kqb n ARG 376 N 7.23 0.79 -2.80 1.68 1.74 -1.26 -4.95 116.66 119.10 2kqb n ARG 376 Ca 0.23 0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 57.24 2kqb n ARG 376 Cb 0.49 -2.39 -0.05 0.00 -1.02 0.00 0.00 32.46 29.50 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 -1.62 4.40 0.56 0.55 -1.32 -1.26 -4.30 115.64 112.66 2kqb s THR 377 Ca 0.78 1.97 -0.19 0.00 -1.21 0.00 0.00 61.69 63.05 2kqb s THR 377 Cb -0.36 -4.28 -0.07 0.00 -1.51 0.00 0.00 72.50 66.28 2kqb s THR 377 CO 0.45 0.40 0.75 -0.24 -2.21 0.00 0.00 174.62 173.77 2kqb n SER 378 N 2.30 -0.09 -4.75 8.08 2.88 -1.26 0.11 113.62 120.88 2kqb n SER 378 Ca -0.00 0.80 -0.30 0.00 -1.33 0.00 0.00 58.87 58.03 2kqb n SER 378 Cb 0.49 -1.27 0.11 0.00 -0.75 0.00 0.00 64.21 62.78 2kqb n SER 378 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kqb h MET 380 N -1.30 0.13 0.00 0.00 2.86 -1.92 -2.25 114.93 112.45 2kqb h MET 380 Ca -0.47 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.06 2kqb h MET 380 Cb 1.26 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2kqb h MET 380 CO 0.55 0.23 -0.74 1.88 1.06 0.00 0.00 176.91 179.89 2kqb h TYR 381 N 0.13 0.00 0.00 -0.22 0.05 -1.92 -3.48 116.97 111.52 2kqb h TYR 381 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2kqb h TYR 381 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2kqb h TYR 381 CO 0.00 0.35 0.00 0.41 -1.05 0.00 0.00 178.16 177.87 2kqb n GLY 382 N 1.24 1.31 0.34 3.88 0.00 -0.85 -2.59 105.19 108.53 2kqb n GLY 382 Ca -0.01 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.43 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 2.58 3.01 -0.70 4.61 0.00 -1.26 -4.07 120.51 124.67 2kqb n ALA 383 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 53.44 53.00 2kqb n ALA 383 Cb 0.00 -0.49 0.21 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.08 3.47 -4.53 0.00 3.02 -1.07 -5.05 115.26 111.02 2kqb n ASN 384 Ca 0.06 -2.66 -0.45 0.00 -0.03 0.00 0.00 54.58 51.50 2kqb n ASN 384 Cb 0.30 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.02 0.00 -1.71 0.00 0.18 -1.26 -5.05 117.16 109.30 2kqb n TYR 386 Ca 0.11 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.52 2kqb n TYR 386 Cb 0.32 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.34 2kqb n TYR 386 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 2kqb n ARG 387 N -2.41 1.16 -3.55 -3.48 0.00 -1.26 -4.97 116.66 102.15 2kqb n ARG 387 Ca 0.00 0.45 -0.27 0.00 -0.00 0.00 0.00 57.85 58.03 2kqb n ARG 387 Cb 0.46 -2.49 -0.09 0.00 -0.00 0.00 0.00 32.46 30.33 2kqb n ARG 387 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2kqb n LYS 388 N -1.67 1.72 -4.31 2.89 2.85 -1.26 -5.08 118.16 113.30 2kqb n LYS 388 Ca 0.15 -4.20 -0.30 0.00 -1.05 0.00 0.00 58.31 52.90 2kqb n LYS 388 Cb 0.47 -2.04 -0.10 0.00 -0.65 0.00 0.00 35.03 32.72 2kqb n LYS 388 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2kqb s ASN 389 N -1.62 4.45 0.00 -5.58 -0.87 -1.26 -5.08 114.94 104.98 2kqb s ASN 389 Ca 0.33 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 2kqb s ASN 389 Cb 0.07 -0.90 0.00 0.00 -0.02 0.00 0.00 41.25 40.40 2kqb s ASN 389 CO -0.10 0.21 0.42 -0.81 -2.57 0.00 0.00 177.10 174.24 2kqb n PRO 390 N 0.95 0.00 -0.40 -0.60 -0.04 -1.26 -3.44 135.00 130.21 2kqb n PRO 390 Ca -0.14 0.33 0.39 0.00 -0.04 0.00 0.00 63.50 64.04 2kqb n PRO 390 Cb 0.52 -1.08 0.66 0.00 -0.04 0.00 0.00 33.50 33.57 2kqb n PRO 390 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kqb h VAL 391 N 0.00 0.09 -0.34 0.52 2.07 -2.01 0.81 116.25 117.39 2kqb h VAL 391 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2kqb h VAL 391 Cb 0.00 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2kqb h VAL 391 CO 0.00 0.00 -0.16 -0.74 0.02 0.00 0.00 177.57 176.69 2kqb h HIS 392 N 0.00 0.67 0.00 1.57 6.17 -1.97 -2.16 115.15 119.43 2kqb h HIS 392 Ca 0.66 -0.12 -0.03 0.00 0.71 0.00 0.00 60.37 61.59 2kqb h HIS 392 Cb 3.04 -0.17 -0.00 0.00 2.52 0.00 0.00 27.41 32.79 2kqb h HIS 392 CO 0.00 0.73 -0.13 0.74 0.71 0.00 0.00 177.93 179.98 2kqb h PHE 393 N 0.55 0.00 0.00 5.26 0.04 0.64 -1.12 116.94 122.31 2kqb h PHE 393 Ca 0.09 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 2kqb h PHE 393 Cb 0.58 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2kqb h PHE 393 CO 0.02 0.13 -0.53 1.96 -0.60 0.00 0.00 178.31 179.30 2kqb h GLN 394 N 0.00 0.00 0.06 1.51 7.50 -1.41 -3.33 115.11 119.44 2kqb h GLN 394 Ca -0.00 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 2kqb h GLN 394 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.74 2kqb h GLN 394 CO 0.02 0.53 -1.98 0.72 -1.50 0.00 0.00 178.83 176.62 2kqb n HIS 395 N -3.42 0.93 -4.73 2.96 8.25 -0.83 -4.28 115.22 114.10 2kqb n HIS 395 Ca 0.00 0.25 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 2kqb n HIS 395 Cb 0.66 -1.14 -0.13 0.00 1.12 0.00 0.00 29.99 30.49 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 -2.56 2.47 0.44 4.41 0.40 -0.49 -4.01 117.98 118.65 2kqb s PHE 396 Ca -0.16 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 2kqb s PHE 396 Cb 0.07 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.18 2kqb s PHE 396 CO 0.78 0.21 0.61 0.45 0.70 0.00 0.00 175.22 177.97 2kqb s SER 397 N -1.39 5.62 0.05 1.36 0.15 0.30 -4.53 113.70 115.27 2kqb s SER 397 Ca 0.14 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 2kqb s SER 397 Cb -0.10 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 2kqb s SER 397 CO 0.04 -0.80 -0.01 -1.00 1.20 0.00 0.00 173.24 172.67 2kqb s HIS 398 N -2.44 0.45 0.35 3.44 3.76 -1.26 -1.05 115.29 118.54 2kqb s HIS 398 Ca 0.53 -0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 2kqb s HIS 398 Cb -0.10 -0.33 -0.11 0.00 1.11 0.00 0.00 32.58 33.15 2kqb s HIS 398 CO 0.34 -0.36 1.45 -1.25 -0.85 0.00 0.00 174.74 174.07 2kqb s PRO 399 N -3.50 4.18 0.00 8.40 0.04 -1.26 -2.15 135.00 140.72 2kqb s PRO 399 Ca 0.03 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2kqb s PRO 399 Cb 0.05 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2kqb s PRO 399 CO -0.08 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2kqb n GLY 400 N 0.81 0.49 3.59 0.56 0.00 -1.26 -5.06 105.19 104.32 2kqb n GLY 400 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2kqb n GLY 400 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kqb s ASP 401 N -2.76 4.82 0.60 1.61 1.01 -0.91 -4.99 116.67 116.04 2kqb s ASP 401 Ca 0.00 0.00 0.29 0.00 0.71 0.00 0.00 52.55 53.55 2kqb s ASP 401 Cb 0.00 -1.36 1.27 0.00 1.01 0.00 0.00 42.92 43.84 2kqb s ASP 401 CO 0.00 0.33 1.65 0.28 0.21 0.00 0.00 175.17 177.64 2kqb h SER 402 N 5.50 0.00 -0.49 0.27 0.02 -1.97 -0.11 113.55 116.76 2kqb h SER 402 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2kqb h SER 402 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kqb h SER 402 CO 0.55 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.71 2kqb n ASP 403 N -3.52 3.79 -4.61 3.07 8.00 -1.26 -5.02 116.55 117.00 2kqb n ASP 403 Ca 0.15 -2.29 -0.47 0.00 0.71 0.00 0.00 54.79 52.89 2kqb n ASP 403 Cb 1.05 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 2kqb n ASP 403 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kqb n TYR 404 N 0.72 1.55 0.04 1.24 9.36 -0.06 -4.12 117.16 125.90 2kqb n TYR 404 Ca 0.19 0.61 -0.00 0.00 3.32 0.00 0.00 57.90 62.03 2kqb n TYR 404 Cb 0.67 -2.33 -0.07 0.00 -0.63 0.00 0.00 39.34 36.98 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 3.43 0.00 0.00 2.98 0.00 -1.89 -3.49 103.07 104.10 2kqb h GLY 405 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2kqb h GLY 405 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 2kqb n GLY 406 N 1.38 0.60 2.70 4.60 0.00 -1.26 -4.89 105.19 108.32 2kqb n GLY 406 Ca -0.08 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.25 -0.42 1.61 1.01 -1.26 -4.88 120.40 116.22 2kqb s VAL 407 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2kqb s VAL 407 Cb 0.00 -0.84 0.17 0.00 0.00 0.00 0.00 36.38 35.72 2kqb s VAL 407 CO 0.00 -0.64 0.56 0.00 0.00 0.00 0.00 175.10 175.02 2kqb s GLN 408 N 1.60 0.81 -1.07 2.72 -2.07 -1.26 -5.06 119.66 115.33 2kqb s GLN 408 Ca 0.15 -0.63 -0.04 0.00 -1.82 0.00 0.00 55.36 53.02 2kqb s GLN 408 Cb -0.16 -0.22 0.31 0.00 -1.09 0.00 0.00 33.01 31.85 2kqb s GLN 408 CO -0.11 -1.22 1.49 -0.89 -1.32 0.00 0.00 175.29 173.24 2kqb n ILE 409 N 4.08 5.34 -3.63 3.63 5.41 -1.26 -4.86 119.36 128.07 2kqb n ILE 409 Ca 0.13 -5.94 -0.28 0.00 1.00 0.00 0.00 62.75 57.66 2kqb n ILE 409 Cb 0.53 -2.06 -0.10 0.00 -0.71 0.00 0.00 39.64 37.30 2kqb n ILE 409 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2kqb n VAL 410 N 1.27 2.10 -0.66 1.39 0.31 -1.26 -4.76 118.33 116.71 2kqb n VAL 410 Ca 0.26 -5.08 0.00 0.00 -0.01 0.00 0.00 64.34 59.51 2kqb n VAL 410 Cb 0.33 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2kqb n VAL 410 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kqb n GLY 411 N 1.34 0.78 0.31 2.92 0.00 -1.26 -5.02 105.19 104.26 2kqb n GLY 411 Ca 0.26 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2kqb n GLY 411 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kqb h GLN 412 N 0.00 -0.44 -0.12 1.61 4.20 -1.89 -3.39 115.11 115.09 2kqb h GLN 412 Ca 0.00 0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 2kqb h GLN 412 Cb 0.40 0.10 -0.29 0.00 0.30 0.00 0.00 27.48 27.99 2kqb h GLN 412 CO 0.00 -0.29 -0.75 -0.25 -0.67 0.00 0.00 178.83 176.87 2kqb n ASP 413 N -4.39 0.23 -3.66 1.46 8.00 -1.26 -5.02 116.55 111.91 2kqb n ASP 413 Ca -0.05 -2.05 -0.26 0.00 0.71 0.00 0.00 54.79 53.14 2kqb n ASP 413 Cb 0.26 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.37 2kqb n ASP 413 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kqb n GLU 414 N -0.32 -2.52 -3.16 -1.24 -0.58 -1.26 -4.94 120.64 106.62 2kqb n GLU 414 Ca -0.06 0.55 -0.25 0.00 -0.42 0.00 0.00 57.16 56.98 2kqb n GLU 414 Cb 0.90 -4.66 -0.05 0.00 -0.57 0.00 0.00 31.44 27.06 2kqb n GLU 414 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2kqb n THR 415 N -4.10 1.73 -1.43 2.62 5.66 -1.26 -4.89 114.28 112.60 2kqb n THR 415 Ca -0.17 -5.07 -0.33 0.00 -3.05 0.00 0.00 64.05 55.43 2kqb n THR 415 Cb 0.63 -1.48 0.07 0.00 -1.55 0.00 0.00 70.33 68.00 2kqb n THR 415 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kqb n ASP 416 N 0.41 7.13 -0.15 1.09 9.92 -1.26 -5.13 116.55 128.56 2kqb n ASP 416 Ca 0.28 -3.78 0.02 0.00 -0.53 0.00 0.00 54.79 50.78 2kqb n ASP 416 Cb 0.47 -0.88 0.02 0.00 -0.64 0.00 0.00 41.12 40.09 2kqb n ASP 416 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80