#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 2.64 -0.36 2.61 -1.32 -1.26 -4.95 115.64 113.01 2jwh s THR 422 Ca 0.00 0.59 0.13 0.00 -1.21 0.00 0.00 61.69 61.20 2jwh s THR 422 Cb 0.00 -3.36 0.42 0.00 -1.51 0.00 0.00 72.50 68.05 2jwh s THR 422 CO 0.00 0.10 1.30 1.17 -2.21 0.00 0.00 174.62 174.98 2jwh n LYS 423 N 0.30 1.27 -2.38 7.08 4.81 -1.26 -5.12 118.16 122.87 2jwh n LYS 423 Ca 0.03 -2.10 -0.42 0.00 -0.87 0.00 0.00 58.31 54.94 2jwh n LYS 423 Cb 0.43 -0.30 -0.03 0.00 0.02 0.00 0.00 35.03 35.15 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jwh s ALA 424 N -0.80 3.51 -0.16 3.14 0.00 -1.26 -4.98 121.76 121.21 2jwh s ALA 424 Ca 0.20 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 2jwh s ALA 424 Cb 0.42 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 2jwh s ALA 424 CO -0.07 -0.77 1.23 -1.12 0.00 0.00 0.00 175.76 175.03 2jwh s SER 425 N 1.55 6.97 0.15 0.00 0.01 -1.26 -4.91 113.70 116.21 2jwh s SER 425 Ca 0.59 1.68 -0.07 0.00 1.31 0.00 0.00 55.95 59.46 2jwh s SER 425 Cb -0.27 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 2jwh s SER 425 CO 0.24 -0.73 1.40 0.11 0.41 0.00 0.00 173.24 174.67 2jwh h LYS 426 N 8.05 0.63 -3.09 12.44 1.57 -2.07 -3.49 116.57 130.60 2jwh h LYS 426 Ca -0.27 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 2jwh h LYS 426 Cb 1.11 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jwh h LYS 426 CO 0.96 1.09 -0.65 0.43 -0.57 0.00 0.00 179.45 180.71 2jwh n SER 427 N -3.92 -6.88 0.00 0.86 7.64 -1.26 -5.11 113.62 104.96 2jwh n SER 427 Ca -0.05 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2jwh n SER 427 Cb 0.69 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.37 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 0.87 0.68 3.74 0.23 0.00 -1.26 -5.15 105.19 104.30 2jwh n GLY 428 Ca 0.00 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 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 3.62 0.36 1.61 -7.23 -1.26 -5.00 120.40 112.50 2jwh s VAL 429 Ca 0.00 1.40 -0.27 0.00 -1.81 0.00 0.00 61.98 61.30 2jwh s VAL 429 Cb 0.00 -3.89 -0.09 0.00 0.56 0.00 0.00 36.38 32.96 2jwh s VAL 429 CO 0.00 0.24 1.17 -2.16 -0.31 0.00 0.00 175.10 174.04 2jwh s PRO 430 N -0.41 4.24 -0.28 4.82 0.04 -1.26 -5.04 135.00 137.10 2jwh s PRO 430 Ca 0.51 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 2jwh s PRO 430 Cb -0.32 -2.84 0.11 0.00 0.04 0.00 0.00 34.50 31.49 2jwh s PRO 430 CO 0.37 -0.17 0.97 0.54 0.04 0.00 0.00 177.00 178.75 2jwh s VAL 431 N -1.33 0.00 0.11 -0.36 0.11 -1.26 -5.06 120.40 112.61 2jwh s VAL 431 Ca 0.53 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.42 2jwh s VAL 431 Cb -0.32 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 2jwh s VAL 431 CO 0.40 0.00 1.57 0.74 -3.33 0.00 0.00 175.10 174.48 2jwh h THR 432 N 3.80 1.25 -3.18 5.04 2.02 -2.03 -3.41 112.91 116.40 2jwh h THR 432 Ca -0.28 -0.91 -0.61 0.00 0.77 0.00 0.00 66.41 65.37 2jwh h THR 432 Cb 1.18 1.17 -0.35 0.00 -1.74 0.00 0.00 68.15 68.40 2jwh h THR 432 CO 0.11 0.30 -0.84 -1.10 0.37 0.00 0.00 175.52 174.36 2jwh s GLN 433 N -5.07 2.45 0.28 6.66 -0.21 -1.26 -5.12 119.66 117.38 2jwh s GLN 433 Ca -0.13 -0.63 -0.29 0.00 0.02 0.00 0.00 55.36 54.32 2jwh s GLN 433 Cb 0.09 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 31.89 2jwh s GLN 433 CO 0.77 -0.13 1.11 -0.08 -2.12 0.00 0.00 175.29 174.84 2jwh s THR 434 N 1.16 3.47 0.13 -0.19 -1.32 -1.26 -4.67 115.64 112.96 2jwh s THR 434 Ca -0.02 1.47 0.00 0.00 -1.21 0.00 0.00 61.69 61.93 2jwh s THR 434 Cb -0.14 -3.93 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 2jwh s THR 434 CO -0.06 0.34 0.00 1.67 -2.21 0.00 0.00 174.62 174.37 2jwh n GLN 435 N 1.25 -2.68 -3.33 7.08 7.27 -1.26 -4.94 117.38 120.77 2jwh n GLN 435 Ca -0.01 2.07 -0.41 0.00 0.07 0.00 0.00 57.00 58.73 2jwh n GLN 435 Cb 0.45 -2.07 -0.09 0.00 2.41 0.00 0.00 30.24 30.94 2jwh n GLN 435 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2jwh s THR 436 N -0.70 5.11 -0.28 1.69 2.01 -1.26 -5.02 115.64 117.18 2jwh s THR 436 Ca 0.00 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 2jwh s THR 436 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 68.75 2jwh s THR 436 CO 0.00 -0.09 0.73 0.00 -0.69 0.00 0.00 174.62 174.57 2jwh s ALA 437 N 2.18 -1.94 0.00 7.40 0.00 -1.26 -5.17 121.76 122.97 2jwh s ALA 437 Ca 0.15 2.40 0.00 0.00 0.00 0.00 0.00 51.96 54.51 2jwh s ALA 437 Cb -0.16 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2jwh s ALA 437 CO 0.12 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2jwh n GLY 438 N 4.24 1.53 0.31 0.00 0.00 -1.26 -5.03 105.19 104.98 2jwh n GLY 438 Ca -0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 2jwh n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwh h ALA 439 N 0.00 0.93 -5.74 4.61 0.00 -2.03 -3.47 119.26 113.57 2jwh h ALA 439 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.40 2jwh h ALA 439 Cb 0.00 -0.28 0.15 0.00 0.00 0.00 0.00 17.79 17.66 2jwh h ALA 439 CO 0.00 0.51 -0.75 -3.47 0.00 0.00 0.00 179.25 175.54 2jwh n ASP 440 N -4.40 -3.14 -0.21 0.00 -0.08 -1.26 -4.92 116.55 102.55 2jwh n ASP 440 Ca 0.06 -0.61 -0.09 0.00 -1.51 0.00 0.00 54.79 52.64 2jwh n ASP 440 Cb 0.15 -5.02 0.02 0.00 2.34 0.00 0.00 41.12 38.60 2jwh n ASP 440 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2jwh h THR 441 N -2.11 1.26 -1.49 5.18 1.35 -2.04 -3.46 112.91 111.61 2jwh h THR 441 Ca -0.59 -1.08 0.10 0.00 -0.55 0.00 0.00 66.41 64.29 2jwh h THR 441 Cb 1.35 0.81 -0.25 0.00 -1.73 0.00 0.00 68.15 68.33 2jwh h THR 441 CO 0.52 0.39 0.59 0.28 -0.25 0.00 0.00 175.52 177.06 2jwh s THR 442 N -5.09 0.00 0.00 6.82 -1.32 -1.26 -5.01 115.64 109.78 2jwh s THR 442 Ca -0.12 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 2jwh s THR 442 Cb 0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 2jwh s THR 442 CO 0.84 0.00 2.18 0.00 -2.21 0.00 0.00 174.62 175.43 2jwh n ALA 443 N 1.01 4.26 -3.13 11.08 0.00 -1.26 -4.69 120.51 127.77 2jwh n ALA 443 Ca -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.10 2jwh n ALA 443 Cb 0.58 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.90 2jwh n ALA 443 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jwh n GLU 444 N 1.61 -1.55 -0.17 0.00 -0.58 -1.26 -4.89 120.64 113.80 2jwh n GLU 444 Ca 0.05 1.31 0.12 0.00 -0.42 0.00 0.00 57.16 58.21 2jwh n GLU 444 Cb 0.55 -5.68 0.44 0.00 -0.57 0.00 0.00 31.44 26.18 2jwh n GLU 444 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jwh h LYS 445 N 0.02 0.53 0.12 3.49 3.64 -1.98 -3.01 116.57 119.38 2jwh h LYS 445 Ca -0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2jwh h LYS 445 Cb 1.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2jwh h LYS 445 CO 0.34 0.35 -0.06 0.00 -2.27 0.00 0.00 179.45 177.81 2jwh n LYS 447 N -4.89 -1.15 -3.31 0.00 4.81 -1.14 -2.46 118.16 110.01 2jwh n LYS 447 Ca -0.02 0.74 -0.22 0.00 -0.87 0.00 0.00 58.31 57.93 2jwh n LYS 447 Cb 0.07 -1.36 -0.01 0.00 0.02 0.00 0.00 35.03 33.75 2jwh n LYS 447 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jwh n GLY 448 N -0.61 -0.48 3.85 3.14 0.00 0.04 -4.84 105.19 106.29 2jwh n GLY 448 Ca -0.13 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2jwh n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwh s LYS 449 N -5.95 4.03 0.65 1.61 -2.85 -1.03 -4.66 119.74 111.54 2jwh s LYS 449 Ca 0.37 0.69 -0.17 0.00 -1.00 0.00 0.00 55.97 55.86 2jwh s LYS 449 Cb -0.20 -2.48 -0.03 0.00 -2.06 0.00 0.00 37.83 33.07 2jwh s LYS 449 CO 0.46 0.18 0.99 0.41 0.10 0.00 0.00 175.35 177.49 2jwh n GLY 450 N -0.26 -0.28 0.35 0.59 0.00 -1.26 -4.37 105.19 99.96 2jwh n GLY 450 Ca 0.03 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 0.22 0.38 -0.72 1.61 4.81 -1.95 0.70 114.58 119.63 2jwh h GLU 451 Ca -0.48 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2jwh h GLU 451 Cb 1.35 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2jwh h GLU 451 CO 0.50 0.25 0.37 0.87 -0.73 0.00 0.00 179.01 180.27 2jwh h LYS 452 N 0.40 1.00 0.05 1.92 1.79 -2.03 -2.96 116.57 116.74 2jwh h LYS 452 Ca 0.26 -0.12 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 2jwh h LYS 452 Cb 0.51 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2jwh h LYS 452 CO -0.07 0.75 -0.41 -0.44 -1.08 0.00 0.00 179.45 178.20 2jwh h ASP 453 N 1.01 0.16 -3.40 0.86 3.32 -1.39 -3.45 116.42 113.53 2jwh h ASP 453 Ca 0.25 -0.94 -0.59 0.00 0.02 0.00 0.00 57.03 55.76 2jwh h ASP 453 Cb 0.06 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 2jwh h ASP 453 CO -0.04 1.19 0.54 0.00 -1.72 0.00 0.00 179.24 179.21 2jwh s LYS 455 N 3.19 4.19 0.12 0.00 -0.14 -1.26 -4.54 119.74 121.30 2jwh s LYS 455 Ca 0.36 0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 55.50 2jwh s LYS 455 Cb -0.13 -3.24 -0.06 0.00 -1.68 0.00 0.00 37.83 32.71 2jwh s LYS 455 CO 0.14 0.63 1.75 1.03 -0.76 0.00 0.00 175.35 178.14 2jwh h SER 456 N 4.58 0.08 -0.15 2.83 0.87 -1.91 0.37 113.55 120.23 2jwh h SER 456 Ca -0.50 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.12 2jwh h SER 456 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2jwh h SER 456 CO 0.64 0.07 0.11 1.55 -0.53 0.00 0.00 176.83 178.67 2jwh h PRO 457 N 0.16 0.00 0.16 2.24 0.13 -2.02 -2.67 132.00 130.00 2jwh h PRO 457 Ca 0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.91 2jwh h PRO 457 Cb 0.04 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.18 2jwh h PRO 457 CO -0.07 0.00 -1.42 0.22 -0.23 0.00 0.00 178.00 176.50 2jwh h ASP 458 N 0.00 0.53 -4.96 1.44 3.58 -1.82 -3.48 116.42 111.71 2jwh h ASP 458 Ca 0.07 -0.90 -0.16 0.00 0.42 0.00 0.00 57.03 56.45 2jwh h ASP 458 Cb 0.28 -0.17 -0.21 0.00 1.72 0.00 0.00 39.33 40.95 2jwh h ASP 458 CO -0.00 1.64 -0.63 0.00 -2.88 0.00 0.00 179.24 177.37 2jwh s LYS 460 N -1.41 4.71 -0.15 0.00 2.20 -0.41 -3.87 119.74 120.81 2jwh s LYS 460 Ca -0.15 1.50 -0.05 0.00 -0.36 0.00 0.00 55.97 56.90 2jwh s LYS 460 Cb -0.09 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2jwh s LYS 460 CO -0.00 0.25 0.01 -0.46 -0.36 0.00 0.00 175.35 174.79 2jwh s TRP 461 N -0.23 3.16 -0.57 4.03 -0.11 -1.26 -1.40 118.94 122.56 2jwh s TRP 461 Ca 0.46 -0.03 0.05 0.00 1.22 0.00 0.00 56.10 57.80 2jwh s TRP 461 Cb -0.25 -1.97 0.17 0.00 -1.50 0.00 0.00 33.47 29.93 2jwh s TRP 461 CO 0.31 0.17 0.42 0.39 -4.62 0.00 0.00 176.95 173.62 2jwh n GLU 462 N 3.19 1.05 0.00 5.86 1.02 -0.31 -4.97 120.64 126.48 2jwh n GLU 462 Ca -0.17 -3.86 0.00 0.00 -0.02 0.00 0.00 57.16 53.11 2jwh n GLU 462 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2jwh n GLU 462 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jwh n GLY 463 N 2.37 1.39 2.11 0.62 0.00 -1.26 -3.35 105.19 107.07 2jwh n GLY 463 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.51 3.53 -0.02 0.00 -1.26 -5.11 105.19 103.84 2jwh n GLY 464 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.16 0.00 0.01 2.61 -1.32 -1.21 -4.99 115.64 110.58 2jwh s THR 465 Ca 0.08 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 2jwh s THR 465 Cb 0.30 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 2jwh s THR 465 CO -0.08 -0.01 0.08 0.00 -2.21 0.00 0.00 174.62 172.39 2jwh s LYS 467 N -1.80 1.04 0.00 0.00 -2.85 -0.49 -0.78 119.74 114.86 2jwh s LYS 467 Ca 0.23 -0.35 0.09 0.00 -1.00 0.00 0.00 55.97 54.94 2jwh s LYS 467 Cb -0.12 0.48 0.54 0.00 -2.06 0.00 0.00 37.83 36.68 2jwh s LYS 467 CO 0.15 -0.45 0.99 -3.47 0.10 0.00 0.00 175.35 172.67