#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5h s SER 451 N 0.00 -0.81 -1.25 1.61 1.04 -1.26 -5.07 113.70 107.96 1i5h s SER 451 Ca 0.00 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 1i5h s SER 451 Cb 0.00 1.23 -0.04 0.00 0.10 0.00 0.00 66.02 67.31 1i5h s SER 451 CO 0.00 -0.11 2.21 -0.81 0.98 0.00 0.00 173.24 175.51 1i5h n PRO 452 N 4.49 2.51 -0.05 4.02 -0.04 -1.26 -4.62 135.00 140.04 1i5h n PRO 452 Ca 0.08 -2.28 -0.10 0.00 -0.04 0.00 0.00 63.50 61.16 1i5h n PRO 452 Cb 0.59 -3.08 -0.09 0.00 -0.04 0.00 0.00 33.50 30.87 1i5h n PRO 452 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1i5h h VAL 453 N 3.99 1.29 -3.73 0.52 2.07 -2.00 -3.47 116.25 114.92 1i5h h VAL 453 Ca 0.56 -1.89 -0.17 0.00 0.82 0.00 0.00 66.70 66.02 1i5h h VAL 453 Cb 0.58 2.40 -0.22 0.00 -1.52 0.00 0.00 31.29 32.53 1i5h h VAL 453 CO 1.87 0.42 -0.61 1.51 0.02 0.00 0.00 177.57 180.79 1i5h s ASP 454 N -5.98 0.11 -0.03 0.57 -4.77 -1.26 -5.04 116.67 100.26 1i5h s ASP 454 Ca -0.14 -0.28 0.01 0.00 -3.30 0.00 0.00 52.55 48.84 1i5h s ASP 454 Cb -0.02 0.15 0.04 0.00 -1.09 0.00 0.00 42.92 42.00 1i5h s ASP 454 CO 0.51 -0.28 0.78 -1.54 0.70 0.00 0.00 175.17 175.34 1i5h n SER 455 N 1.79 -0.75 -1.21 2.11 3.41 -1.26 -4.72 113.62 112.99 1i5h n SER 455 Ca -0.22 -1.48 0.14 0.00 -0.26 0.00 0.00 58.87 57.05 1i5h n SER 455 Cb 0.56 0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1i5h n SER 455 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i5h n ASN 456 N -0.15 -6.47 -4.13 4.04 5.03 -1.26 -4.80 115.26 107.52 1i5h n ASN 456 Ca -0.19 0.76 -0.33 0.00 0.87 0.00 0.00 54.58 55.69 1i5h n ASN 456 Cb 0.60 -3.87 -0.15 0.00 -1.02 0.00 0.00 39.78 35.33 1i5h n ASN 456 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1i5h s ASP 457 N -6.10 3.78 -0.18 6.41 1.11 -1.26 -4.96 116.67 115.47 1i5h s ASP 457 Ca 0.00 -0.90 0.07 0.00 0.18 0.00 0.00 52.55 51.90 1i5h s ASP 457 Cb 0.00 -1.55 -0.16 0.00 1.07 0.00 0.00 42.92 42.29 1i5h s ASP 457 CO 0.00 -0.08 -0.07 0.18 1.18 0.00 0.00 175.17 176.38 1i5h n LEU 458 N 4.58 1.65 0.00 1.23 4.77 -1.26 -5.09 117.00 122.89 1i5h n LEU 458 Ca -0.18 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1i5h n LEU 458 Cb 0.47 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1i5h n LEU 458 CO 0.25 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1i5h n GLY 459 N 2.33 1.12 2.48 -0.72 0.00 -1.26 -4.66 105.19 104.47 1i5h n GLY 459 Ca -0.31 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1i5h n GLY 459 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i5h n PRO 460 N 0.00 3.68 -1.42 1.61 -0.04 -1.26 -4.93 135.00 132.63 1i5h n PRO 460 Ca 0.00 -2.63 0.18 0.00 -0.04 0.00 0.00 63.50 61.01 1i5h n PRO 460 Cb 0.00 -2.89 -0.07 0.00 -0.04 0.00 0.00 33.50 30.51 1i5h n PRO 460 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i5h n LEU 461 N 3.82 -0.86 -4.59 1.53 4.77 -1.26 -4.90 117.00 115.50 1i5h n LEU 461 Ca 0.67 1.97 -0.30 0.00 -0.03 0.00 0.00 56.01 58.31 1i5h n LEU 461 Cb 0.28 -4.60 0.25 0.00 -2.33 0.00 0.00 43.42 37.02 1i5h n LEU 461 CO 0.83 -3.00 0.63 -2.84 -1.33 0.00 0.00 177.39 171.68 1i5h s PRO 462 N -3.22 -1.45 -0.10 3.23 0.02 -1.26 -4.96 135.00 127.26 1i5h s PRO 462 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 61.00 60.54 1i5h s PRO 462 Cb 0.00 -1.58 -0.02 0.00 0.02 0.00 0.00 34.50 32.92 1i5h s PRO 462 CO 0.00 -3.84 1.22 -1.25 -0.33 0.00 0.00 177.00 172.81 1i5h s PRO 463 N -5.50 4.30 0.00 5.54 0.04 -1.26 -3.30 135.00 134.82 1i5h s PRO 463 Ca 0.72 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1i5h s PRO 463 Cb -0.08 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1i5h s PRO 463 CO 0.56 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.45 1i5h n GLY 464 N 3.47 0.93 3.17 0.56 0.00 -1.26 -4.93 105.19 107.12 1i5h n GLY 464 Ca 0.12 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1i5h n GLY 464 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i5h s TRP 465 N -2.67 0.78 -0.07 1.61 0.52 -1.21 0.28 118.94 118.18 1i5h s TRP 465 Ca 0.00 -1.17 -0.16 0.00 0.02 0.00 0.00 56.10 54.80 1i5h s TRP 465 Cb 0.00 -0.42 0.03 0.00 -1.15 0.00 0.00 33.47 31.93 1i5h s TRP 465 CO 0.00 -0.53 0.37 -1.21 0.02 0.00 0.00 176.95 175.60 1i5h s GLU 466 N -4.03 0.62 -0.54 4.98 2.02 0.66 -4.88 118.70 117.53 1i5h s GLU 466 Ca 0.22 0.12 -0.18 0.00 0.02 0.00 0.00 54.97 55.15 1i5h s GLU 466 Cb 0.07 0.28 0.08 0.00 0.10 0.00 0.00 34.13 34.67 1i5h s GLU 466 CO 0.01 -0.14 0.62 -1.83 0.02 0.00 0.00 175.26 173.93 1i5h s GLU 467 N -0.73 3.07 0.04 1.61 -1.05 -1.26 -2.03 118.70 118.34 1i5h s GLU 467 Ca -0.08 -1.17 0.01 0.00 -0.15 0.00 0.00 54.97 53.58 1i5h s GLU 467 Cb -0.04 -4.18 -0.04 0.00 -0.44 0.00 0.00 34.13 29.43 1i5h s GLU 467 CO 0.03 -1.33 0.10 1.03 0.95 0.00 0.00 175.26 176.04 1i5h s ARG 468 N 2.47 3.06 -0.11 -4.83 1.81 -1.08 -4.96 118.95 115.31 1i5h s ARG 468 Ca 0.12 -0.55 -0.21 0.00 -1.72 0.00 0.00 55.73 53.37 1i5h s ARG 468 Cb -0.22 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 1i5h s ARG 468 CO 0.08 0.61 0.59 -0.08 -0.68 0.00 0.00 175.30 175.83 1i5h s THR 469 N -1.31 5.10 0.66 0.02 -1.32 -1.26 -0.43 115.64 117.10 1i5h s THR 469 Ca 0.27 1.19 -0.11 0.00 -1.21 0.00 0.00 61.69 61.83 1i5h s THR 469 Cb -0.12 -3.93 -0.01 0.00 -1.51 0.00 0.00 72.50 66.92 1i5h s THR 469 CO 0.19 0.25 1.05 -2.28 -2.21 0.00 0.00 174.62 171.63 1i5h s HIS 470 N 0.94 3.39 0.61 9.09 2.46 0.03 -4.90 115.29 126.92 1i5h s HIS 470 Ca 0.31 1.29 0.31 0.00 0.47 0.00 0.00 55.06 57.45 1i5h s HIS 470 Cb -0.16 -2.83 1.79 0.00 -0.13 0.00 0.00 32.58 31.25 1i5h s HIS 470 CO 0.13 -0.97 2.14 1.15 -2.47 0.00 0.00 174.74 174.72 1i5h h THR 471 N -0.52 0.35 0.00 0.89 2.02 -1.98 0.21 112.91 113.88 1i5h h THR 471 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1i5h h THR 471 Cb 1.21 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1i5h h THR 471 CO 0.60 0.00 -0.50 0.47 0.37 0.00 0.00 175.52 176.46 1i5h n ASP 472 N -3.59 0.51 0.00 4.18 8.00 -1.26 -4.94 116.55 119.46 1i5h n ASP 472 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1i5h n ASP 472 Cb 0.27 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1i5h n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i5h n GLY 473 N 1.45 2.57 3.66 0.44 0.00 0.75 -5.06 105.19 109.00 1i5h n GLY 473 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1i5h n GLY 473 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5h s ARG 474 N -0.52 4.25 -0.42 1.61 0.52 -1.26 -4.53 118.95 118.59 1i5h s ARG 474 Ca 0.00 1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 56.46 1i5h s ARG 474 Cb 0.00 -3.71 0.02 0.00 0.52 0.00 0.00 34.95 31.78 1i5h s ARG 474 CO 0.00 -0.66 1.20 0.54 0.02 0.00 0.00 175.30 176.39 1i5h s VAL 475 N 3.33 4.20 0.31 3.52 0.11 -1.26 -0.79 120.40 129.81 1i5h s VAL 475 Ca 0.50 1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 60.81 1i5h s VAL 475 Cb -0.19 -4.45 0.06 0.00 -1.53 0.00 0.00 36.38 30.27 1i5h s VAL 475 CO 0.11 -0.81 0.42 2.22 -3.33 0.00 0.00 175.10 173.71 1i5h n PHE 476 N 7.83 -3.40 -4.43 1.54 1.16 0.43 -4.85 117.46 115.73 1i5h n PHE 476 Ca 0.13 -0.63 -0.30 0.00 -1.87 0.00 0.00 57.45 54.79 1i5h n PHE 476 Cb 0.48 -0.31 -0.12 0.00 -1.61 0.00 0.00 39.48 37.92 1i5h n PHE 476 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1i5h s PHE 477 N -1.32 2.49 -0.06 2.97 0.40 -1.07 -2.63 117.98 118.77 1i5h s PHE 477 Ca 0.27 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1i5h s PHE 477 Cb -0.01 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.19 1i5h s PHE 477 CO 0.18 0.33 0.14 -1.50 0.70 0.00 0.00 175.22 175.08 1i5h s ILE 478 N -1.06 -0.03 0.12 0.64 2.07 -0.86 -1.04 121.20 121.04 1i5h s ILE 478 Ca 0.16 0.12 -0.04 0.00 -1.41 0.00 0.00 60.65 59.48 1i5h s ILE 478 Cb -0.10 -0.23 -0.05 0.00 0.13 0.00 0.00 42.46 42.21 1i5h s ILE 478 CO 0.08 0.05 0.34 0.54 -1.91 0.00 0.00 174.94 174.04 1i5h s ASN 479 N 0.80 6.46 -0.23 4.50 4.22 -0.96 -0.24 114.94 129.50 1i5h s ASN 479 Ca -0.06 0.52 0.14 0.00 -2.14 0.00 0.00 52.86 51.33 1i5h s ASN 479 Cb -0.08 -2.06 0.71 0.00 1.28 0.00 0.00 41.25 41.09 1i5h s ASN 479 CO -0.04 0.08 1.64 1.41 -2.04 0.00 0.00 177.10 178.15 1i5h n HIS 480 N 0.14 1.73 -0.09 1.54 8.25 0.14 -3.44 115.22 123.49 1i5h n HIS 480 Ca -0.03 -0.87 -0.23 0.00 -0.26 0.00 0.00 57.72 56.33 1i5h n HIS 480 Cb 0.52 -0.47 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 1i5h n HIS 480 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i5h n ASN 481 N 0.08 1.96 -0.86 0.41 3.02 -1.26 -4.65 115.26 113.96 1i5h n ASN 481 Ca 0.28 0.27 0.04 0.00 -0.03 0.00 0.00 54.58 55.14 1i5h n ASN 481 Cb 1.12 -0.83 0.06 0.00 -0.61 0.00 0.00 39.78 39.52 1i5h n ASN 481 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1i5h n ILE 482 N -4.00 0.63 -3.46 2.41 -5.35 -1.26 -5.05 119.36 103.27 1i5h n ILE 482 Ca -0.40 -1.26 -0.34 0.00 -0.27 0.00 0.00 62.75 60.49 1i5h n ILE 482 Cb 0.86 0.48 0.03 0.00 -1.74 0.00 0.00 39.64 39.27 1i5h n ILE 482 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1i5h n LYS 483 N -0.18 -1.94 -3.67 6.28 4.01 -1.23 -5.00 118.16 116.43 1i5h n LYS 483 Ca 0.08 1.44 -0.10 0.00 -0.51 0.00 0.00 58.31 59.22 1i5h n LYS 483 Cb 0.87 -2.54 -0.11 0.00 -0.51 0.00 0.00 35.03 32.74 1i5h n LYS 483 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i5h s LYS 484 N -2.75 0.31 0.45 1.97 2.20 -1.22 -5.01 119.74 115.69 1i5h s LYS 484 Ca 0.32 0.89 0.03 0.00 -0.36 0.00 0.00 55.97 56.86 1i5h s LYS 484 Cb -0.04 0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1i5h s LYS 484 CO 0.87 -0.22 0.64 -0.08 -0.36 0.00 0.00 175.35 176.19 1i5h s THR 485 N 2.14 3.46 -0.18 3.43 -1.32 -1.26 -2.26 115.64 119.65 1i5h s THR 485 Ca -0.04 -0.75 -0.25 0.00 -1.21 0.00 0.00 61.69 59.44 1i5h s THR 485 Cb -0.11 -3.24 0.06 0.00 -1.51 0.00 0.00 72.50 67.71 1i5h s THR 485 CO -0.12 -0.14 0.66 0.00 -2.21 0.00 0.00 174.62 172.81 1i5h s GLN 486 N -4.49 0.86 0.13 7.08 -2.07 -0.20 -4.98 119.66 115.99 1i5h s GLN 486 Ca 0.51 0.67 -0.12 0.00 -1.82 0.00 0.00 55.36 54.60 1i5h s GLN 486 Cb -0.10 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 1i5h s GLN 486 CO 0.36 -0.17 1.40 -1.49 -1.32 0.00 0.00 175.29 174.06 1i5h h TRP 487 N 4.37 1.11 -3.30 9.60 -0.00 -1.99 -2.83 115.95 122.90 1i5h h TRP 487 Ca -0.28 -0.40 -0.43 0.00 -0.00 0.00 0.00 58.89 57.78 1i5h h TRP 487 Cb 1.16 -0.21 0.20 0.00 -0.00 0.00 0.00 29.16 30.31 1i5h h TRP 487 CO 0.39 1.24 0.02 -2.00 -0.00 0.00 0.00 178.44 178.09 1i5h s GLU 488 N -4.10 -1.17 -0.37 0.49 2.12 -1.26 -4.74 118.70 109.66 1i5h s GLU 488 Ca -0.11 0.58 -0.14 0.00 0.36 0.00 0.00 54.97 55.66 1i5h s GLU 488 Cb 0.10 -1.54 0.00 0.00 0.26 0.00 0.00 34.13 32.95 1i5h s GLU 488 CO 0.89 -3.83 0.30 -0.51 -0.54 0.00 0.00 175.26 171.58 1i5h s ASP 489 N -2.86 6.11 0.22 -1.70 1.01 -1.26 -4.56 116.67 113.64 1i5h s ASP 489 Ca 0.68 -0.59 0.03 0.00 0.71 0.00 0.00 52.55 53.39 1i5h s ASP 489 Cb -0.21 -2.16 0.20 0.00 1.01 0.00 0.00 42.92 41.76 1i5h s ASP 489 CO 0.62 -0.36 1.53 1.55 0.21 0.00 0.00 175.17 178.72 1i5h h PRO 490 N 8.56 0.27 0.00 8.23 0.13 -1.94 -2.41 132.00 144.84 1i5h h PRO 490 Ca -0.29 -0.19 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1i5h h PRO 490 Cb 1.14 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1i5h h PRO 490 CO 0.69 0.81 -0.28 0.07 -0.23 0.00 0.00 178.00 179.06 1i5h h ARG 491 N 0.20 0.00 0.00 0.86 0.11 -1.95 -3.07 114.38 110.53 1i5h h ARG 491 Ca -0.01 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.84 1i5h h ARG 491 Cb 1.15 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 1i5h h ARG 491 CO 0.10 0.28 -1.29 1.98 0.10 0.00 0.00 179.97 181.14 1i5h h MET 492 N 0.00 0.00 -0.75 0.08 4.05 -1.87 -3.34 114.93 113.11 1i5h h MET 492 Ca -0.00 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 1i5h h MET 492 Cb 0.89 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.60 1i5h h MET 492 CO 0.04 0.68 0.33 0.37 0.23 0.00 0.00 176.91 178.55 1i5h h GLN 493 N 0.00 0.50 -6.61 0.39 4.15 -1.33 -3.40 115.11 108.82 1i5h h GLN 493 Ca -0.14 -0.03 -0.52 0.00 0.77 0.00 0.00 58.65 58.73 1i5h h GLN 493 Cb 1.82 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.40 1i5h h GLN 493 CO 0.10 0.33 0.47 0.54 -1.93 0.00 0.00 178.83 178.33 1i5h s ASN 494 N -5.41 7.28 -0.65 -0.69 4.22 -1.25 -3.76 114.94 114.69 1i5h s ASN 494 Ca -0.12 2.01 -0.03 0.00 -2.14 0.00 0.00 52.86 52.58 1i5h s ASN 494 Cb 0.20 -2.60 -0.03 0.00 1.28 0.00 0.00 41.25 40.10 1i5h s ASN 494 CO 0.76 -0.23 0.56 0.52 -2.04 0.00 0.00 177.10 176.67 1i5h n VAL 495 N 2.72 -5.29 0.00 3.54 0.31 -1.26 -4.79 118.33 113.56 1i5h n VAL 495 Ca 0.04 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1i5h n VAL 495 Cb 0.47 -4.82 0.00 0.00 -0.91 0.00 0.00 33.84 28.58 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5h n ALA 496 N -2.62 0.00 -3.62 3.52 0.00 -1.25 -4.21 120.51 112.33 1i5h n ALA 496 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 1i5h n ALA 496 Cb 0.58 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.07 1i5h n ALA 496 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1i5h n ILE 497 N -1.40 -5.59 -2.39 0.00 5.41 -1.25 -4.90 119.36 109.25 1i5h n ILE 497 Ca 0.00 -0.75 -0.42 0.00 1.00 0.00 0.00 62.75 62.57 1i5h n ILE 497 Cb 0.00 -4.37 -0.03 0.00 -0.71 0.00 0.00 39.64 34.53 1i5h n ILE 497 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1i5h s THR 498 N -3.58 4.05 0.00 1.39 -4.23 -1.26 -5.20 115.64 106.82 1i5h s THR 498 Ca 0.19 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 1i5h s THR 498 Cb -0.05 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1i5h s THR 498 CO 0.81 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.52