#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwh s THR 422 N 0.00 3.45 0.00 2.61 2.01 -1.26 -4.59 115.64 117.86 2jwh s THR 422 Ca 0.00 0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2jwh s THR 422 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.01 2jwh s THR 422 CO 0.00 -0.02 0.00 1.17 -0.69 0.00 0.00 174.62 175.08 2jwh n LYS 423 N 5.97 0.00 0.00 4.92 4.81 -1.26 -4.99 118.16 127.60 2jwh n LYS 423 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2jwh n LYS 423 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jwh n ALA 424 N -0.48 0.80 -3.31 3.14 0.00 -1.26 -5.04 120.51 114.36 2jwh n ALA 424 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2jwh n ALA 424 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2jwh n ALA 424 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jwh n SER 425 N -1.03 -6.10 0.00 0.00 7.64 -1.26 -4.52 113.62 108.34 2jwh n SER 425 Ca 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2jwh n SER 425 Cb 0.00 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.33 2jwh n SER 425 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jwh n LYS 426 N -4.46 0.00 -1.04 1.43 2.85 -1.26 -5.16 118.16 110.52 2jwh n LYS 426 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2jwh n LYS 426 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 2jwh n LYS 426 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jwh n SER 427 N -0.39 -6.05 -0.02 -5.58 7.64 -1.26 -4.83 113.62 103.12 2jwh n SER 427 Ca 0.00 0.79 -0.11 0.00 1.01 0.00 0.00 58.87 60.56 2jwh n SER 427 Cb 0.00 -2.63 -0.05 0.00 -1.01 0.00 0.00 64.21 60.52 2jwh n SER 427 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jwh h GLY 428 N 1.34 0.19 -3.65 0.23 0.00 -2.01 -3.42 103.07 95.75 2jwh h GLY 428 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 47.33 46.71 2jwh h GLY 428 CO 0.00 0.09 -0.02 -1.34 0.00 0.00 0.00 176.54 175.27 2jwh s VAL 429 N -5.78 4.78 0.43 4.60 -7.23 -1.26 -4.98 120.40 110.95 2jwh s VAL 429 Ca -0.13 0.86 0.11 0.00 -1.81 0.00 0.00 61.98 61.01 2jwh s VAL 429 Cb 0.07 -3.71 0.21 0.00 0.56 0.00 0.00 36.38 33.51 2jwh s VAL 429 CO 0.69 0.07 2.00 -0.65 -0.31 0.00 0.00 175.10 176.90 2jwh h PRO 430 N 3.02 0.19 -5.55 4.82 0.11 -1.90 -3.47 132.00 129.23 2jwh h PRO 430 Ca -0.48 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 2jwh h PRO 430 Cb 1.18 -0.03 0.17 0.00 0.11 0.00 0.00 31.00 32.43 2jwh h PRO 430 CO 0.66 0.25 -0.78 0.28 -0.21 0.00 0.00 178.00 178.21 2jwh n VAL 431 N -4.38 -6.66 -1.95 3.15 0.31 -1.26 -4.91 118.33 102.64 2jwh n VAL 431 Ca -0.01 -0.69 -0.42 0.00 -0.01 0.00 0.00 64.34 63.21 2jwh n VAL 431 Cb 0.19 -5.32 -0.03 0.00 -0.91 0.00 0.00 33.84 27.77 2jwh n VAL 431 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2jwh s THR 432 N -3.36 2.96 -0.12 2.52 2.01 -1.26 -4.93 115.64 113.45 2jwh s THR 432 Ca 0.11 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.43 2jwh s THR 432 Cb -0.01 -3.33 -0.17 0.00 0.01 0.00 0.00 72.50 68.99 2jwh s THR 432 CO 0.72 0.01 0.53 -0.61 -0.69 0.00 0.00 174.62 174.58 2jwh h GLN 433 N 7.81 -0.01 -1.42 4.92 4.15 -2.05 -3.49 115.11 125.02 2jwh h GLN 433 Ca -0.42 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.10 2jwh h GLN 433 Cb 1.20 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.61 2jwh h GLN 433 CO 0.92 0.64 0.61 -0.08 -1.93 0.00 0.00 178.83 178.99 2jwh s THR 434 N -2.07 0.00 -0.32 2.39 -1.32 -1.26 -5.07 115.64 107.98 2jwh s THR 434 Ca -0.13 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.53 2jwh s THR 434 Cb -0.02 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.43 2jwh s THR 434 CO 0.46 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.92 2jwh n GLN 435 N 1.83 1.27 -4.23 7.08 6.02 -1.26 -5.00 117.38 123.09 2jwh n GLN 435 Ca -0.11 -3.07 -0.31 0.00 -0.01 0.00 0.00 57.00 53.50 2jwh n GLN 435 Cb 0.56 -1.12 -0.07 0.00 1.02 0.00 0.00 30.24 30.64 2jwh n GLN 435 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2jwh n THR 436 N -0.28 -1.50 0.19 5.09 5.66 -1.26 -4.84 114.28 117.35 2jwh n THR 436 Ca 0.06 -0.40 0.04 0.00 -3.05 0.00 0.00 64.05 60.70 2jwh n THR 436 Cb 0.82 -1.49 0.39 0.00 -1.55 0.00 0.00 70.33 68.50 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jwh h ALA 437 N 0.82 1.33 -0.29 1.79 0.00 -2.02 -3.09 119.26 117.81 2jwh h ALA 437 Ca -0.64 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2jwh h ALA 437 Cb 1.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jwh h ALA 437 CO 0.71 0.44 -0.14 0.78 0.00 0.00 0.00 179.25 181.05 2jwh h GLY 438 N 1.20 0.65 -1.82 0.00 0.00 -2.04 -3.45 103.07 97.61 2jwh h GLY 438 Ca -0.00 -0.59 -0.52 0.00 0.00 0.00 0.00 47.33 46.22 2jwh h GLY 438 CO 0.05 0.53 0.40 0.00 0.00 0.00 0.00 176.54 177.52 2jwh s ALA 439 N -4.60 2.40 0.00 3.60 0.00 -1.17 -4.88 121.76 117.11 2jwh s ALA 439 Ca -0.13 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2jwh s ALA 439 Cb 0.08 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2jwh s ALA 439 CO 0.79 -1.38 1.53 -0.25 0.00 0.00 0.00 175.76 176.44 2jwh n ASP 440 N -2.26 4.17 0.00 0.00 9.92 -1.26 -4.82 116.55 122.31 2jwh n ASP 440 Ca 0.12 -2.13 0.00 0.00 -0.53 0.00 0.00 54.79 52.25 2jwh n ASP 440 Cb 0.51 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 2jwh n ASP 440 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2jwh n THR 441 N 1.23 0.00 -3.26 -3.53 -1.04 -1.26 -4.29 114.28 102.13 2jwh n THR 441 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2jwh n THR 441 Cb 0.45 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.92 2jwh n THR 441 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jwh s THR 442 N 0.00 -0.75 -1.11 12.58 2.01 -1.26 -5.08 115.64 122.03 2jwh s THR 442 Ca 0.00 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 2jwh s THR 442 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2jwh s THR 442 CO 0.00 -0.16 1.75 0.00 -0.69 0.00 0.00 174.62 175.52 2jwh s ALA 443 N 2.64 2.45 -0.19 7.40 0.00 -1.26 -4.79 121.76 128.02 2jwh s ALA 443 Ca 0.12 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 49.82 2jwh s ALA 443 Cb -0.13 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.39 2jwh s ALA 443 CO -0.25 -4.15 0.73 0.39 0.00 0.00 0.00 175.76 172.48 2jwh n GLU 444 N 8.61 0.80 0.04 0.00 1.02 -1.26 -1.87 120.64 127.98 2jwh n GLU 444 Ca 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.56 2jwh n GLU 444 Cb 0.48 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.35 0.00 -0.08 3.49 1.79 -1.98 -3.32 116.57 116.82 2jwh h LYS 445 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2jwh h LYS 445 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2jwh h LYS 445 CO 0.00 0.29 -0.38 0.00 -1.08 0.00 0.00 179.45 178.29 2jwh s LYS 447 N -3.65 3.96 0.00 0.00 2.47 -1.17 -1.45 119.74 119.89 2jwh s LYS 447 Ca -0.14 2.47 0.00 0.00 -1.56 0.00 0.00 55.97 56.74 2jwh s LYS 447 Cb 0.04 -4.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 2jwh s LYS 447 CO 0.79 -1.16 0.00 0.41 0.16 0.00 0.00 175.35 175.55 2jwh n GLY 448 N 4.74 1.51 3.77 5.54 0.00 -1.26 -4.98 105.19 114.52 2jwh n GLY 448 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2jwh n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwh s LYS 449 N -0.07 4.00 0.98 1.61 1.02 -0.53 -5.04 119.74 121.70 2jwh s LYS 449 Ca 0.00 1.90 -0.16 0.00 0.02 0.00 0.00 55.97 57.73 2jwh s LYS 449 Cb 0.00 -2.66 0.19 0.00 -0.52 0.00 0.00 37.83 34.84 2jwh s LYS 449 CO 0.00 -0.39 1.25 0.20 -0.92 0.00 0.00 175.35 175.49 2jwh s GLY 450 N -1.07 1.70 0.21 -3.33 0.00 -1.26 -4.28 107.32 99.29 2jwh s GLY 450 Ca 0.58 -1.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.18 2jwh s GLY 450 CO 0.40 -0.29 1.80 -2.09 0.00 0.00 0.00 173.10 172.92 2jwh h GLU 451 N -1.71 0.61 -0.65 2.90 4.81 -1.96 0.18 114.58 118.75 2jwh h GLU 451 Ca -0.45 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.67 2jwh h GLU 451 Cb 1.27 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2jwh h GLU 451 CO 0.43 0.41 0.13 1.57 -0.73 0.00 0.00 179.01 180.82 2jwh h LYS 452 N 0.63 1.07 -0.27 1.92 2.10 -2.04 -3.10 116.57 116.88 2jwh h LYS 452 Ca 0.30 -0.27 -0.10 0.00 -2.00 0.00 0.00 60.65 58.58 2jwh h LYS 452 Cb 0.22 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2jwh h LYS 452 CO -0.20 0.97 -0.22 -0.44 -2.00 0.00 0.00 179.45 177.57 2jwh h ASP 453 N 0.99 0.65 -2.10 7.07 3.32 -1.73 -3.43 116.42 121.19 2jwh h ASP 453 Ca 0.20 -0.45 -0.58 0.00 0.02 0.00 0.00 57.03 56.22 2jwh h ASP 453 Cb 0.40 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jwh h ASP 453 CO 0.01 0.97 1.44 0.00 -1.72 0.00 0.00 179.24 179.93 2jwh s LYS 455 N 6.05 4.42 0.09 0.00 1.02 -1.26 -4.93 119.74 125.13 2jwh s LYS 455 Ca 0.97 1.16 -0.22 0.00 0.02 0.00 0.00 55.97 57.90 2jwh s LYS 455 Cb -0.33 -3.51 -0.12 0.00 -0.52 0.00 0.00 37.83 33.35 2jwh s LYS 455 CO 0.36 -0.17 1.69 0.77 -0.92 0.00 0.00 175.35 177.08 2jwh h SER 456 N 7.02 0.11 -0.14 2.83 0.02 -1.93 0.59 113.55 122.06 2jwh h SER 456 Ca -0.35 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2jwh h SER 456 Cb 1.17 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2jwh h SER 456 CO 0.80 0.15 0.11 1.55 -1.14 0.00 0.00 176.83 178.30 2jwh h PRO 457 N 0.07 0.00 0.07 3.45 0.13 -2.03 -2.87 132.00 130.82 2jwh h PRO 457 Ca 0.03 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.92 2jwh h PRO 457 Cb 0.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 2jwh h PRO 457 CO -0.01 0.00 -1.29 -0.44 -0.23 0.00 0.00 178.00 176.03 2jwh h ASP 458 N 0.00 0.24 -4.56 1.44 5.19 -1.85 -3.48 116.42 113.40 2jwh h ASP 458 Ca 0.06 -0.78 -0.18 0.00 -0.62 0.00 0.00 57.03 55.51 2jwh h ASP 458 Cb 0.29 -0.08 -0.23 0.00 0.18 0.00 0.00 39.33 39.48 2jwh h ASP 458 CO -0.00 1.55 -0.67 0.00 -3.12 0.00 0.00 179.24 176.99 2jwh s LYS 460 N -0.96 3.61 -0.54 0.00 2.47 -0.36 -3.89 119.74 120.07 2jwh s LYS 460 Ca -0.10 0.09 -0.26 0.00 -1.56 0.00 0.00 55.97 54.14 2jwh s LYS 460 Cb -0.06 -3.86 0.03 0.00 -1.46 0.00 0.00 37.83 32.48 2jwh s LYS 460 CO -0.00 -0.91 1.02 -0.46 0.16 0.00 0.00 175.35 175.16 2jwh s TRP 461 N 3.06 2.76 -0.02 4.03 -0.11 -1.26 -2.54 118.94 124.86 2jwh s TRP 461 Ca 0.29 0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.84 2jwh s TRP 461 Cb -0.13 -4.21 0.02 0.00 -1.50 0.00 0.00 33.47 27.65 2jwh s TRP 461 CO 0.18 -1.37 0.00 -1.21 -4.62 0.00 0.00 176.95 169.93 2jwh s GLU 462 N 4.24 0.20 -1.26 5.86 2.02 -0.53 -4.86 118.70 124.36 2jwh s GLU 462 Ca 0.36 0.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.34 2jwh s GLU 462 Cb -0.10 -0.35 0.01 0.00 0.10 0.00 0.00 34.13 33.78 2jwh s GLU 462 CO 0.23 -0.10 1.09 0.41 0.02 0.00 0.00 175.26 176.92 2jwh n GLY 463 N 3.88 -0.44 3.08 -1.39 0.00 -1.26 -2.41 105.19 106.65 2jwh n GLY 463 Ca -0.24 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.82 -0.46 3.20 -0.02 0.00 -1.26 -4.99 105.19 99.84 2jwh n GLY 464 Ca -0.03 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.19 -0.07 -0.14 2.61 2.01 -1.01 -5.04 115.64 110.81 2jwh s THR 465 Ca 0.35 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 2jwh s THR 465 Cb -0.15 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2jwh s THR 465 CO 0.44 0.05 0.68 0.00 -0.69 0.00 0.00 174.62 175.09 2jwh s LYS 467 N 1.43 0.55 0.00 0.00 -2.85 -1.05 -3.02 119.74 114.79 2jwh s LYS 467 Ca 0.34 0.39 0.28 0.00 -1.00 0.00 0.00 55.97 55.98 2jwh s LYS 467 Cb -0.17 0.26 1.03 0.00 -2.06 0.00 0.00 37.83 36.90 2jwh s LYS 467 CO 0.14 -0.10 1.74 -3.47 0.10 0.00 0.00 175.35 173.76