#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwh n THR 422 N 0.00 0.00 0.05 2.61 -2.24 -1.26 -5.04 114.28 108.40 2jwh n THR 422 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2jwh n THR 422 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2jwh n THR 422 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2jwh h LYS 423 N 0.00 0.47 -4.97 -0.78 1.57 -2.02 -3.47 116.57 107.37 2jwh h LYS 423 Ca 0.00 -0.44 -0.36 0.00 -1.87 0.00 0.00 60.65 57.98 2jwh h LYS 423 Cb 0.00 0.11 0.11 0.00 0.08 0.00 0.00 32.23 32.53 2jwh h LYS 423 CO 0.00 1.09 -0.59 0.00 -0.57 0.00 0.00 179.45 179.38 2jwh n ALA 424 N -2.54 -1.09 -2.17 3.86 0.00 -1.26 -4.94 120.51 112.37 2jwh n ALA 424 Ca -0.06 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2jwh n ALA 424 Cb 0.78 -4.60 -0.03 0.00 0.00 0.00 0.00 19.45 15.60 2jwh n ALA 424 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jwh s SER 425 N -3.13 7.06 0.23 0.00 1.04 -1.26 -4.93 113.70 112.71 2jwh s SER 425 Ca 0.45 2.18 -0.03 0.00 0.48 0.00 0.00 55.95 59.03 2jwh s SER 425 Cb -0.20 -2.60 0.24 0.00 0.10 0.00 0.00 66.02 63.56 2jwh s SER 425 CO 0.56 -0.43 1.66 0.50 0.98 0.00 0.00 173.24 176.52 2jwh h LYS 426 N 5.84 0.72 -5.95 4.02 3.64 -1.95 -3.47 116.57 119.42 2jwh h LYS 426 Ca -0.43 -0.28 -0.41 0.00 -1.27 0.00 0.00 60.65 58.26 2jwh h LYS 426 Cb 1.21 -0.04 0.09 0.00 -0.41 0.00 0.00 32.23 33.09 2jwh h LYS 426 CO 0.78 0.87 -0.72 0.43 -2.27 0.00 0.00 179.45 178.53 2jwh n SER 427 N -4.12 -5.04 0.00 4.20 7.64 -1.26 -2.47 113.62 112.56 2jwh n SER 427 Ca 0.00 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2jwh n SER 427 Cb 0.41 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.92 2jwh n SER 427 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwh n GLY 428 N -1.79 1.18 2.69 0.23 0.00 -1.26 -4.65 105.19 101.59 2jwh n GLY 428 Ca -0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2jwh n GLY 428 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwh s VAL 429 N 0.00 -0.09 0.23 1.61 -7.23 -1.14 -5.13 120.40 108.64 2jwh s VAL 429 Ca 0.00 0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 2jwh s VAL 429 Cb 0.00 -0.14 -0.09 0.00 0.56 0.00 0.00 36.38 36.70 2jwh s VAL 429 CO 0.00 0.16 1.35 -2.16 -0.31 0.00 0.00 175.10 174.15 2jwh s PRO 430 N 1.96 4.35 -0.40 4.82 0.04 -1.03 -4.95 135.00 139.78 2jwh s PRO 430 Ca 0.02 2.15 0.10 0.00 0.04 0.00 0.00 61.00 63.31 2jwh s PRO 430 Cb -0.12 -3.16 0.35 0.00 0.04 0.00 0.00 34.50 31.61 2jwh s PRO 430 CO -0.03 -0.30 0.96 1.55 0.04 0.00 0.00 177.00 179.22 2jwh n VAL 431 N 2.40 0.02 -0.45 -0.36 3.14 -1.26 -5.10 118.33 116.72 2jwh n VAL 431 Ca 0.06 -2.96 0.00 0.00 -2.96 0.00 0.00 64.34 58.48 2jwh n VAL 431 Cb 0.42 0.63 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 2jwh n VAL 431 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2jwh n THR 432 N 0.20 -2.22 -0.67 1.55 -1.04 -1.26 -4.59 114.28 106.26 2jwh n THR 432 Ca 0.14 0.68 -0.12 0.00 -2.04 0.00 0.00 64.05 62.70 2jwh n THR 432 Cb 0.71 -0.99 -0.08 0.00 -1.82 0.00 0.00 70.33 68.15 2jwh n THR 432 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh n GLN 433 N -0.91 1.54 -1.85 -2.82 3.00 -1.26 -4.52 117.38 110.56 2jwh n GLN 433 Ca 0.00 -0.90 -0.37 0.00 -0.01 0.00 0.00 57.00 55.72 2jwh n GLN 433 Cb 0.00 -2.02 0.01 0.00 0.00 0.00 0.00 30.24 28.23 2jwh n GLN 433 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2jwh n THR 434 N 3.15 3.71 0.00 5.09 5.66 -1.26 -3.19 114.28 127.44 2jwh n THR 434 Ca 0.33 -4.06 0.00 0.00 -3.05 0.00 0.00 64.05 57.27 2jwh n THR 434 Cb 0.42 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 2jwh n THR 434 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jwh n GLN 435 N -0.10 0.00 0.03 1.09 1.13 -1.26 -4.80 117.38 113.47 2jwh n GLN 435 Ca 0.52 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.46 2jwh n GLN 435 Cb 0.32 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.59 2jwh n GLN 435 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2jwh h THR 436 N 0.00 1.09 -3.76 5.09 2.02 -2.01 -3.42 112.91 111.92 2jwh h THR 436 Ca 0.00 -0.32 -0.49 0.00 0.77 0.00 0.00 66.41 66.37 2jwh h THR 436 Cb 0.00 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2jwh h THR 436 CO 0.00 0.08 0.18 0.00 0.37 0.00 0.00 175.52 176.16 2jwh s ALA 437 N -5.64 3.28 0.52 6.16 0.00 -1.26 -5.03 121.76 119.79 2jwh s ALA 437 Ca -0.14 0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 2jwh s ALA 437 Cb 0.05 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 2jwh s ALA 437 CO 0.66 0.27 1.28 0.20 0.00 0.00 0.00 175.76 178.17 2jwh s GLY 438 N -1.96 2.84 0.42 0.00 0.00 -1.26 -4.29 107.32 103.07 2jwh s GLY 438 Ca 0.51 1.17 -0.26 0.00 0.00 0.00 0.00 44.72 46.15 2jwh s GLY 438 CO 0.19 1.67 1.33 0.00 0.00 0.00 0.00 173.10 176.29 2jwh s ALA 439 N -1.40 3.25 -1.16 3.20 0.00 -1.19 -4.76 121.76 119.70 2jwh s ALA 439 Ca 0.69 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.79 2jwh s ALA 439 Cb -0.36 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 2jwh s ALA 439 CO 0.42 -0.92 2.22 -3.47 0.00 0.00 0.00 175.76 174.01 2jwh n ASP 440 N 0.03 4.34 0.14 0.00 2.03 -1.26 -4.62 116.55 117.22 2jwh n ASP 440 Ca 0.04 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.70 2jwh n ASP 440 Cb 0.43 -1.36 0.27 0.00 -0.72 0.00 0.00 41.12 39.74 2jwh n ASP 440 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwh h THR 441 N 3.91 1.33 -2.13 5.18 1.03 -1.99 -3.45 112.91 116.79 2jwh h THR 441 Ca 0.55 -1.57 -0.60 0.00 -0.01 0.00 0.00 66.41 64.79 2jwh h THR 441 Cb 0.51 1.80 0.03 0.00 -1.07 0.00 0.00 68.15 69.42 2jwh h THR 441 CO 1.82 0.45 1.08 0.41 -0.01 0.00 0.00 175.52 179.27 2jwh n THR 442 N -4.00 0.51 -2.63 0.00 -1.04 -1.26 -4.94 114.28 100.92 2jwh n THR 442 Ca -0.02 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 2jwh n THR 442 Cb 0.48 -1.90 -0.04 0.00 -1.82 0.00 0.00 70.33 67.06 2jwh n THR 442 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh s ALA 443 N 3.61 3.27 -0.56 2.41 0.00 -1.26 -4.89 121.76 124.35 2jwh s ALA 443 Ca 0.90 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 2jwh s ALA 443 Cb -0.65 -3.34 0.46 0.00 0.00 0.00 0.00 23.12 19.60 2jwh s ALA 443 CO 0.48 -0.20 1.98 -1.91 0.00 0.00 0.00 175.76 176.11 2jwh n GLU 444 N 3.24 2.43 0.06 0.00 2.13 -1.26 -3.41 120.64 123.82 2jwh n GLU 444 Ca 0.05 -2.93 -0.23 0.00 0.66 0.00 0.00 57.16 54.71 2jwh n GLU 444 Cb 0.49 -2.15 -0.15 0.00 0.27 0.00 0.00 31.44 29.90 2jwh n GLU 444 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2jwh h LYS 445 N 1.64 0.37 0.03 5.31 1.57 -1.98 -3.37 116.57 120.15 2jwh h LYS 445 Ca 0.56 -0.63 -0.34 0.00 -1.87 0.00 0.00 60.65 58.37 2jwh h LYS 445 Cb 1.33 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.83 2jwh h LYS 445 CO 1.34 1.30 -2.02 0.00 -0.57 0.00 0.00 179.45 179.50 2jwh n LYS 447 N -3.13 2.46 0.00 0.00 3.00 -1.22 -0.95 118.16 118.32 2jwh n LYS 447 Ca -0.28 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 2jwh n LYS 447 Cb 1.06 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 33.12 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 4.89 0.64 3.78 3.14 0.00 -1.26 -4.79 105.19 111.58 2jwh n GLY 448 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 3.98 0.85 1.61 1.02 -0.12 -5.00 119.74 122.07 2jwh s LYS 449 Ca 0.00 1.60 -0.12 0.00 0.02 0.00 0.00 55.97 57.47 2jwh s LYS 449 Cb 0.00 -2.45 0.13 0.00 -0.52 0.00 0.00 37.83 34.99 2jwh s LYS 449 CO 0.00 -0.32 1.20 0.20 -0.92 0.00 0.00 175.35 175.50 2jwh s GLY 450 N -1.52 1.69 0.37 -3.33 0.00 -1.26 -4.26 107.32 99.01 2jwh s GLY 450 Ca 0.61 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 44.41 2jwh s GLY 450 CO 0.30 -0.40 1.92 -2.09 0.00 0.00 0.00 173.10 172.83 2jwh h GLU 451 N -1.18 0.38 -1.46 2.90 4.57 -1.97 0.34 114.58 118.16 2jwh h GLU 451 Ca -0.44 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 57.57 2jwh h GLU 451 Cb 1.29 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2jwh h GLU 451 CO 0.52 0.43 0.12 0.36 -1.18 0.00 0.00 179.01 179.27 2jwh n LYS 452 N -4.31 1.23 0.02 1.92 2.85 -1.26 -3.86 118.16 114.76 2jwh n LYS 452 Ca 0.00 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.77 2jwh n LYS 452 Cb 0.23 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 2jwh n LYS 452 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jwh n ASP 453 N 0.72 -0.41 -4.66 -5.58 2.03 -0.77 -5.10 116.55 102.78 2jwh n ASP 453 Ca 0.10 0.09 -0.43 0.00 0.52 0.00 0.00 54.79 55.07 2jwh n ASP 453 Cb 0.60 0.83 -0.02 0.00 -0.72 0.00 0.00 41.12 41.80 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 3.53 4.28 0.07 0.00 -2.85 -1.26 -4.80 119.74 118.69 2jwh s LYS 455 Ca 0.61 1.66 -0.18 0.00 -1.00 0.00 0.00 55.97 57.06 2jwh s LYS 455 Cb -0.26 -3.68 -0.12 0.00 -2.06 0.00 0.00 37.83 31.71 2jwh s LYS 455 CO 0.20 -0.61 1.39 0.77 0.10 0.00 0.00 175.35 177.20 2jwh h SER 456 N 7.90 0.53 -0.96 0.03 0.02 -1.94 0.84 113.55 119.97 2jwh h SER 456 Ca -0.29 -0.47 0.06 0.00 -0.84 0.00 0.00 61.79 60.26 2jwh h SER 456 Cb 1.12 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 2jwh h SER 456 CO 0.94 0.89 0.61 -0.65 -1.14 0.00 0.00 176.83 177.47 2jwh h PRO 457 N 0.18 1.08 0.16 3.45 0.11 -2.00 -3.03 132.00 131.95 2jwh h PRO 457 Ca 0.04 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.85 2jwh h PRO 457 Cb 0.73 -0.24 0.02 0.00 0.11 0.00 0.00 31.00 31.62 2jwh h PRO 457 CO 0.05 0.71 -1.03 0.22 -0.21 0.00 0.00 178.00 177.74 2jwh h ASP 458 N 1.11 0.54 -3.81 -2.05 3.58 -1.98 -3.46 116.42 110.35 2jwh h ASP 458 Ca 0.41 -0.94 -0.65 0.00 0.42 0.00 0.00 57.03 56.27 2jwh h ASP 458 Cb 0.17 -0.18 -0.32 0.00 1.72 0.00 0.00 39.33 40.73 2jwh h ASP 458 CO -0.17 1.49 -0.87 0.00 -2.88 0.00 0.00 179.24 176.80 2jwh s LYS 460 N 0.03 4.27 -0.11 0.00 1.02 0.67 -3.90 119.74 121.72 2jwh s LYS 460 Ca -0.08 2.34 0.03 0.00 0.02 0.00 0.00 55.97 58.29 2jwh s LYS 460 Cb -0.14 -3.05 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2jwh s LYS 460 CO 0.05 -0.35 -0.22 -0.46 -0.92 0.00 0.00 175.35 173.44 2jwh s TRP 461 N -0.81 2.60 -0.29 3.18 -0.11 -1.26 -0.58 118.94 121.67 2jwh s TRP 461 Ca 0.53 -1.04 -0.18 0.00 1.22 0.00 0.00 56.10 56.64 2jwh s TRP 461 Cb -0.42 -1.74 0.15 0.00 -1.50 0.00 0.00 33.47 29.96 2jwh s TRP 461 CO 0.53 -0.42 1.02 -2.00 -4.62 0.00 0.00 176.95 171.46 2jwh s GLU 462 N 0.39 0.36 -1.25 5.86 2.12 -1.00 -4.98 118.70 120.21 2jwh s GLU 462 Ca -0.17 0.58 -0.05 0.00 0.36 0.00 0.00 54.97 55.69 2jwh s GLU 462 Cb -0.17 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.32 2jwh s GLU 462 CO 0.07 -0.07 0.68 0.41 -0.54 0.00 0.00 175.26 175.81 2jwh n GLY 463 N 3.34 -0.32 3.45 -1.50 0.00 -1.26 -2.90 105.19 106.01 2jwh n GLY 463 Ca -0.17 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.53 -0.46 3.63 -0.02 0.00 -1.26 -5.00 105.19 100.55 2jwh n GLY 464 Ca -0.06 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2jwh n GLY 464 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jwh s THR 465 N -3.29 0.00 0.10 2.61 -1.32 -1.14 -5.05 115.64 107.54 2jwh s THR 465 Ca 0.54 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.89 2jwh s THR 465 Cb -0.24 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.69 2jwh s THR 465 CO 0.67 0.00 0.49 0.00 -2.21 0.00 0.00 174.62 173.57 2jwh s LYS 467 N -1.79 0.58 0.00 0.00 0.00 0.25 -3.60 119.74 115.18 2jwh s LYS 467 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 55.97 56.32 2jwh s LYS 467 Cb -0.15 0.26 0.00 0.00 0.00 0.00 0.00 37.83 37.94 2jwh s LYS 467 CO 0.18 -0.14 0.12 -3.47 0.00 0.00 0.00 175.35 172.05