#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwh h THR 422 N 0.00 1.30 -1.64 2.61 2.02 -2.05 -3.09 112.91 112.06 2jwh h THR 422 Ca 0.00 -1.53 -0.66 0.00 0.77 0.00 0.00 66.41 64.99 2jwh h THR 422 Cb 0.00 1.54 -0.36 0.00 -1.74 0.00 0.00 68.15 67.59 2jwh h THR 422 CO 0.00 0.48 -0.02 0.29 0.37 0.00 0.00 175.52 176.64 2jwh n LYS 423 N -4.04 3.16 -3.63 6.66 4.76 -1.26 -4.96 118.16 118.85 2jwh n LYS 423 Ca -0.01 -4.08 -0.11 0.00 -2.87 0.00 0.00 58.31 51.23 2jwh n LYS 423 Cb 0.50 -2.26 -0.07 0.00 -1.84 0.00 0.00 35.03 31.36 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jwh s ALA 424 N -3.75 -1.85 0.00 7.82 0.00 -1.17 -5.00 121.76 117.81 2jwh s ALA 424 Ca 0.50 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.61 2jwh s ALA 424 Cb 0.42 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2jwh s ALA 424 CO -0.26 -0.34 0.00 0.45 0.00 0.00 0.00 175.76 175.61 2jwh n SER 425 N 3.18 0.60 -0.13 0.00 2.88 -1.26 -4.36 113.62 114.53 2jwh n SER 425 Ca -0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.28 2jwh n SER 425 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 2jwh n SER 425 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jwh h LYS 426 N 0.00 0.62 -6.96 -1.46 3.11 -2.01 -3.42 116.57 106.46 2jwh h LYS 426 Ca 0.00 -0.16 -0.47 0.00 -2.81 0.00 0.00 60.65 57.21 2jwh h LYS 426 Cb 0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 2jwh h LYS 426 CO 0.00 0.68 0.37 0.45 -2.81 0.00 0.00 179.45 178.14 2jwh s SER 427 N -6.02 6.99 0.33 4.20 0.15 -1.26 -4.92 113.70 113.17 2jwh s SER 427 Ca -0.13 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2jwh s SER 427 Cb 0.10 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2jwh s SER 427 CO 0.77 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2jwh n GLY 428 N 0.17 -1.06 3.46 9.45 0.00 -1.26 -4.72 105.19 111.24 2jwh n GLY 428 Ca 0.05 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2jwh n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jwh s VAL 429 N -1.83 5.12 -0.11 1.61 1.01 -1.26 -5.05 120.40 119.89 2jwh s VAL 429 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2jwh s VAL 429 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2jwh s VAL 429 CO 0.00 -0.22 1.44 -2.84 0.00 0.00 0.00 175.10 173.48 2jwh s PRO 430 N 1.66 4.21 -0.14 2.72 0.02 -1.26 -4.89 135.00 137.32 2jwh s PRO 430 Ca 0.05 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2jwh s PRO 430 Cb -0.19 -3.86 0.14 0.00 0.02 0.00 0.00 34.50 30.61 2jwh s PRO 430 CO 0.09 -0.77 1.63 1.33 -0.33 0.00 0.00 177.00 178.96 2jwh n VAL 431 N 5.42 1.99 -2.03 3.83 0.24 -1.26 -4.84 118.33 121.67 2jwh n VAL 431 Ca 0.15 -0.80 -0.41 0.00 -2.04 0.00 0.00 64.34 61.24 2jwh n VAL 431 Cb 0.44 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 2jwh n VAL 431 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jwh s THR 432 N -1.01 2.62 -0.93 3.34 2.01 -1.26 -4.86 115.64 115.54 2jwh s THR 432 Ca 0.15 0.57 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 2jwh s THR 432 Cb 0.12 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2jwh s THR 432 CO 0.01 0.12 2.35 0.00 -0.69 0.00 0.00 174.62 176.41 2jwh n GLN 433 N 1.43 2.30 0.00 4.92 6.02 -1.26 -2.66 117.38 128.13 2jwh n GLN 433 Ca 0.03 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 2jwh n GLN 433 Cb 0.41 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.24 2jwh n GLN 433 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jwh n THR 434 N 3.85 0.00 -0.91 5.09 -1.04 -1.26 -4.94 114.28 115.07 2jwh n THR 434 Ca 0.49 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.38 2jwh n THR 434 Cb 0.22 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.69 2jwh n THR 434 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh n GLN 435 N -2.16 1.72 -1.86 -2.82 6.02 -1.09 -4.28 117.38 112.92 2jwh n GLN 435 Ca 0.00 -1.11 -0.27 0.00 -0.01 0.00 0.00 57.00 55.61 2jwh n GLN 435 Cb 0.00 -1.62 0.03 0.00 1.02 0.00 0.00 30.24 29.68 2jwh n GLN 435 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jwh n THR 436 N 1.29 2.81 -2.50 5.09 -1.04 -1.26 -4.91 114.28 113.76 2jwh n THR 436 Ca 0.27 -3.91 -0.38 0.00 -2.04 0.00 0.00 64.05 57.99 2jwh n THR 436 Cb 0.63 -1.15 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh s ALA 437 N -3.66 3.23 -0.29 2.41 0.00 -1.26 -4.94 121.76 117.25 2jwh s ALA 437 Ca 0.54 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 2jwh s ALA 437 Cb 0.44 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 20.26 2jwh s ALA 437 CO 0.02 -0.20 2.79 0.41 0.00 0.00 0.00 175.76 178.77 2jwh n GLY 438 N 0.74 3.85 2.35 0.00 0.00 -1.26 -4.65 105.19 106.22 2jwh n GLY 438 Ca 0.02 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2jwh n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwh n ALA 439 N 1.21 6.98 -3.55 4.61 0.00 -1.26 -4.57 120.51 123.94 2jwh n ALA 439 Ca 0.41 -3.39 -0.23 0.00 0.00 0.00 0.00 53.44 50.23 2jwh n ALA 439 Cb 0.64 -2.83 0.08 0.00 0.00 0.00 0.00 19.45 17.34 2jwh n ALA 439 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jwh n ASP 440 N 2.39 -5.89 -0.04 0.00 2.03 -1.26 -4.90 116.55 108.87 2jwh n ASP 440 Ca 0.64 -0.53 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 2jwh n ASP 440 Cb 0.39 -4.89 -0.05 0.00 -0.72 0.00 0.00 41.12 35.84 2jwh n ASP 440 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2jwh h THR 441 N -2.56 1.28 -3.41 5.18 2.02 -1.82 -3.46 112.91 110.13 2jwh h THR 441 Ca -0.55 -1.88 -0.07 0.00 0.77 0.00 0.00 66.41 64.68 2jwh h THR 441 Cb 1.36 1.84 -0.14 0.00 -1.74 0.00 0.00 68.15 69.46 2jwh h THR 441 CO 0.54 0.60 -0.17 -0.89 0.37 0.00 0.00 175.52 175.97 2jwh s THR 442 N -3.90 0.09 0.51 3.16 2.01 -1.26 -5.03 115.64 111.22 2jwh s THR 442 Ca -0.10 -0.71 0.18 0.00 0.31 0.00 0.00 61.69 61.37 2jwh s THR 442 Cb 0.09 -1.13 0.26 0.00 0.01 0.00 0.00 72.50 71.74 2jwh s THR 442 CO 0.90 -0.39 2.13 0.00 -0.69 0.00 0.00 174.62 176.56 2jwh h ALA 443 N 2.70 1.82 -4.43 7.40 0.00 -2.00 -3.47 119.26 121.27 2jwh h ALA 443 Ca -0.33 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2jwh h ALA 443 Cb 1.23 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.10 2jwh h ALA 443 CO 0.48 0.06 -0.40 0.39 0.00 0.00 0.00 179.25 179.79 2jwh n GLU 444 N -4.33 -1.20 0.03 0.00 1.02 -1.26 -4.97 120.64 109.93 2jwh n GLU 444 Ca -0.03 0.63 -0.06 0.00 -0.02 0.00 0.00 57.16 57.68 2jwh n GLU 444 Cb 0.13 -4.04 -0.11 0.00 -0.02 0.00 0.00 31.44 27.40 2jwh n GLU 444 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jwh h LYS 445 N -0.44 0.00 0.11 3.49 6.56 -2.00 -3.32 116.57 120.97 2jwh h LYS 445 Ca -0.28 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.04 2jwh h LYS 445 Cb 1.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 2jwh h LYS 445 CO 0.24 0.66 -1.20 0.00 -2.06 0.00 0.00 179.45 177.10 2jwh n LYS 447 N -3.55 1.20 -2.78 0.00 3.00 -1.25 -1.58 118.16 113.20 2jwh n LYS 447 Ca -0.08 0.44 -0.21 0.00 -0.00 0.00 0.00 58.31 58.46 2jwh n LYS 447 Cb 1.00 -2.12 0.02 0.00 0.00 0.00 0.00 35.03 33.93 2jwh n LYS 447 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jwh n GLY 448 N 3.84 -0.44 0.16 3.14 0.00 -1.24 -4.89 105.19 105.76 2jwh n GLY 448 Ca 0.25 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2jwh n GLY 448 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jwh h LYS 449 N -0.89 0.00 0.00 1.61 2.10 -1.59 -3.50 116.57 114.30 2jwh h LYS 449 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2jwh h LYS 449 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2jwh h LYS 449 CO 0.54 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.40 2jwh n GLY 450 N 1.14 2.41 0.25 0.07 0.00 -1.26 -4.64 105.19 103.17 2jwh n GLY 450 Ca 0.02 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 2jwh n GLY 450 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jwh h GLU 451 N 0.00 0.83 -1.86 1.61 4.81 -1.92 0.46 114.58 118.51 2jwh h GLU 451 Ca 0.00 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 2jwh h GLU 451 Cb 0.00 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 2jwh h GLU 451 CO 0.00 0.73 0.10 1.63 -0.73 0.00 0.00 179.01 180.73 2jwh n LYS 452 N -4.50 1.47 0.00 1.92 5.02 -1.26 -3.16 118.16 117.65 2jwh n LYS 452 Ca 0.03 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 2jwh n LYS 452 Cb 0.17 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2jwh n LYS 452 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jwh n ASP 453 N 1.26 0.00 -4.03 4.39 2.03 -1.00 -5.02 116.55 114.18 2jwh n ASP 453 Ca 0.18 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.09 2jwh n ASP 453 Cb 0.58 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 2jwh n ASP 453 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwh s LYS 455 N 4.72 4.34 0.18 0.00 1.02 -1.26 -4.67 119.74 124.07 2jwh s LYS 455 Ca 0.56 2.11 -0.16 0.00 0.02 0.00 0.00 55.97 58.51 2jwh s LYS 455 Cb 0.09 -3.20 0.14 0.00 -0.52 0.00 0.00 37.83 34.35 2jwh s LYS 455 CO 0.06 -0.36 1.65 0.77 -0.92 0.00 0.00 175.35 176.55 2jwh h SER 456 N 5.86 -0.49 -0.08 2.83 0.02 -1.92 0.72 113.55 120.48 2jwh h SER 456 Ca -0.44 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2jwh h SER 456 Cb 1.21 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 2jwh h SER 456 CO 0.81 -0.17 0.01 1.55 -1.14 0.00 0.00 176.83 177.89 2jwh h PRO 457 N -0.02 0.20 0.13 3.45 0.13 -2.02 -3.01 132.00 130.87 2jwh h PRO 457 Ca 0.23 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 65.10 2jwh h PRO 457 Cb 0.37 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.47 2jwh h PRO 457 CO -0.50 0.22 -1.15 0.22 -0.23 0.00 0.00 178.00 176.56 2jwh h ASP 458 N 0.20 0.42 -4.57 1.44 3.58 -1.62 -3.48 116.42 112.40 2jwh h ASP 458 Ca 0.05 -0.89 -0.12 0.00 0.42 0.00 0.00 57.03 56.49 2jwh h ASP 458 Cb 0.12 -0.14 -0.22 0.00 1.72 0.00 0.00 39.33 40.82 2jwh h ASP 458 CO 0.00 1.52 -0.26 0.00 -2.88 0.00 0.00 179.24 177.62 2jwh s LYS 460 N -0.76 4.40 -0.41 0.00 2.20 -0.80 -3.50 119.74 120.87 2jwh s LYS 460 Ca -0.08 0.89 -0.17 0.00 -0.36 0.00 0.00 55.97 56.25 2jwh s LYS 460 Cb -0.04 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2jwh s LYS 460 CO 0.03 -0.03 0.45 -0.46 -0.36 0.00 0.00 175.35 174.98 2jwh s TRP 461 N 1.13 3.17 -0.11 4.03 -0.11 -1.26 -0.61 118.94 125.17 2jwh s TRP 461 Ca 0.37 -0.26 -0.04 0.00 1.22 0.00 0.00 56.10 57.40 2jwh s TRP 461 Cb -0.17 -2.90 -0.11 0.00 -1.50 0.00 0.00 33.47 28.78 2jwh s TRP 461 CO 0.17 -0.67 3.00 -1.91 -4.62 0.00 0.00 176.95 172.92 2jwh n GLU 462 N 5.64 1.86 -3.46 5.86 4.07 0.15 -4.68 120.64 130.08 2jwh n GLU 462 Ca -0.07 -1.11 -0.25 0.00 -0.06 0.00 0.00 57.16 55.68 2jwh n GLU 462 Cb 0.48 -1.79 0.05 0.00 -0.06 0.00 0.00 31.44 30.12 2jwh n GLU 462 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jwh n GLY 463 N 1.80 -0.53 0.00 8.31 0.00 -1.26 -3.92 105.19 109.59 2jwh n GLY 463 Ca 0.34 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2jwh n GLY 463 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwh n GLY 464 N -1.74 2.55 3.14 -0.02 0.00 -1.26 -5.12 105.19 102.74 2jwh n GLY 464 Ca -0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2jwh n GLY 464 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwh s THR 465 N 0.00 1.72 0.16 2.61 2.01 -1.25 -4.95 115.64 115.94 2jwh s THR 465 Ca 0.00 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 60.91 2jwh s THR 465 Cb 0.00 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 70.92 2jwh s THR 465 CO 0.00 0.49 0.87 0.00 -0.69 0.00 0.00 174.62 175.28 2jwh s LYS 467 N -0.75 0.14 0.00 0.00 -2.85 0.22 -3.62 119.74 112.87 2jwh s LYS 467 Ca 0.40 0.03 0.15 0.00 -1.00 0.00 0.00 55.97 55.55 2jwh s LYS 467 Cb -0.24 0.06 0.88 0.00 -2.06 0.00 0.00 37.83 36.48 2jwh s LYS 467 CO 0.28 -0.02 1.30 -0.25 0.10 0.00 0.00 175.35 176.76