#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 -0.63 -0.77 1.61 0.01 -1.26 -5.09 113.70 107.58 1i5h s SER 451 Ca 0.00 0.54 -0.25 0.00 1.31 0.00 0.00 55.95 57.55 1i5h s SER 451 Cb 0.00 0.54 -0.16 0.00 0.21 0.00 0.00 66.02 66.61 1i5h s SER 451 CO 0.00 -0.68 2.48 -2.65 0.41 0.00 0.00 173.24 172.80 1i5h n PRO 452 N 0.61 0.50 -2.74 12.44 -0.02 -1.26 -4.69 135.00 139.84 1i5h n PRO 452 Ca -0.18 -0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.08 1i5h n PRO 452 Cb 0.59 -2.56 0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1i5h n PRO 452 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1i5h n VAL 453 N 7.65 0.00 -3.26 -1.45 0.24 -1.26 -4.95 118.33 115.30 1i5h n VAL 453 Ca 0.52 -1.46 -0.23 0.00 -2.04 0.00 0.00 64.34 61.13 1i5h n VAL 453 Cb 0.31 1.48 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 1i5h n VAL 453 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1i5h n ASP 454 N 1.25 -4.20 -0.02 -1.34 2.03 -1.26 -4.86 116.55 108.15 1i5h n ASP 454 Ca 0.08 -0.35 -0.16 0.00 0.52 0.00 0.00 54.79 54.88 1i5h n ASP 454 Cb 0.65 -3.46 -0.09 0.00 -0.72 0.00 0.00 41.12 37.51 1i5h n ASP 454 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1i5h h SER 455 N -1.02 0.56 -0.19 1.67 4.64 -1.93 -3.33 113.55 113.96 1i5h h SER 455 Ca -0.44 -0.67 -0.12 0.00 -0.47 0.00 0.00 61.79 60.09 1i5h h SER 455 Cb 1.30 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.15 1i5h h SER 455 CO 0.53 1.14 -0.41 -0.46 -0.87 0.00 0.00 176.83 176.76 1i5h n ASN 456 N -4.27 2.33 -4.41 4.97 6.94 -1.26 -4.81 115.26 114.75 1i5h n ASN 456 Ca -0.09 -3.86 -0.33 0.00 -0.02 0.00 0.00 54.58 50.28 1i5h n ASN 456 Cb 0.60 -0.54 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 1i5h n ASN 456 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1i5h s ASP 457 N -3.09 3.89 -0.22 0.53 1.01 -1.25 -5.09 116.67 112.44 1i5h s ASP 457 Ca 0.41 -0.29 -0.12 0.00 0.71 0.00 0.00 52.55 53.27 1i5h s ASP 457 Cb 0.39 -1.11 0.07 0.00 1.01 0.00 0.00 42.92 43.27 1i5h s ASP 457 CO -0.04 0.27 0.54 -0.76 0.21 0.00 0.00 175.17 175.39 1i5h s LEU 458 N -0.27 -0.51 0.00 1.23 1.43 -1.26 -4.96 118.68 114.33 1i5h s LEU 458 Ca 0.02 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1i5h s LEU 458 Cb -0.13 1.84 0.00 0.00 0.03 0.00 0.00 46.19 47.93 1i5h s LEU 458 CO 0.03 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1i5h n GLY 459 N 4.31 -0.02 2.60 -3.19 0.00 -1.26 -4.77 105.19 102.87 1i5h n GLY 459 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 1.95 -1.40 1.61 -0.04 -1.26 -4.86 135.00 131.00 1i5h n PRO 460 Ca 0.00 -1.37 0.17 0.00 -0.04 0.00 0.00 63.50 62.27 1i5h n PRO 460 Cb 0.00 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 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 4.14 -0.86 -4.57 1.53 4.77 -1.26 -4.89 117.00 115.86 1i5h n LEU 461 Ca 0.42 1.98 -0.30 0.00 -0.03 0.00 0.00 56.01 58.08 1i5h n LEU 461 Cb 0.15 -4.22 0.23 0.00 -2.33 0.00 0.00 43.42 37.25 1i5h n LEU 461 CO 0.66 -2.68 0.60 -2.84 -1.33 0.00 0.00 177.39 171.81 1i5h s PRO 462 N -3.51 -1.11 0.05 3.23 0.02 -1.26 -4.92 135.00 127.50 1i5h s PRO 462 Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 61.00 60.80 1i5h s PRO 462 Cb 0.00 -1.60 -0.07 0.00 0.02 0.00 0.00 34.50 32.86 1i5h s PRO 462 CO 0.00 -3.67 1.41 -1.25 -0.33 0.00 0.00 177.00 173.16 1i5h s PRO 463 N -5.26 4.29 0.00 5.54 0.04 -1.26 -2.50 135.00 135.86 1i5h s PRO 463 Ca 0.70 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1i5h s PRO 463 Cb -0.12 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1i5h s PRO 463 CO 0.57 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1i5h n GLY 464 N 3.61 1.85 3.94 0.56 0.00 -1.26 -4.90 105.19 108.99 1i5h n GLY 464 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.35 3.23 -0.12 1.61 0.52 -1.04 0.79 118.94 121.57 1i5h s TRP 465 Ca 0.00 0.34 -0.15 0.00 0.02 0.00 0.00 56.10 56.31 1i5h s TRP 465 Cb 0.00 -2.44 0.04 0.00 -1.15 0.00 0.00 33.47 29.92 1i5h s TRP 465 CO 0.00 -0.49 0.40 -1.21 0.02 0.00 0.00 176.95 175.67 1i5h s GLU 466 N -4.68 0.55 -0.54 4.98 0.41 0.88 -4.83 118.70 115.47 1i5h s GLU 466 Ca 0.50 0.41 -0.19 0.00 -0.41 0.00 0.00 54.97 55.28 1i5h s GLU 466 Cb -0.10 0.26 0.08 0.00 -1.78 0.00 0.00 34.13 32.59 1i5h s GLU 466 CO 0.40 -0.10 0.64 -1.83 -0.49 0.00 0.00 175.26 173.88 1i5h s GLU 467 N -0.15 3.07 0.13 1.61 -1.05 -1.26 -1.89 118.70 119.16 1i5h s GLU 467 Ca -0.03 -1.15 0.05 0.00 -0.15 0.00 0.00 54.97 53.69 1i5h s GLU 467 Cb -0.03 -4.19 -0.04 0.00 -0.44 0.00 0.00 34.13 29.43 1i5h s GLU 467 CO 0.02 -1.35 0.05 1.03 0.95 0.00 0.00 175.26 175.96 1i5h s ARG 468 N 2.53 2.67 -0.11 -4.83 1.81 -1.01 -4.96 118.95 115.06 1i5h s ARG 468 Ca 0.12 -0.89 -0.19 0.00 -1.72 0.00 0.00 55.73 53.05 1i5h s ARG 468 Cb -0.22 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.68 1i5h s ARG 468 CO 0.09 0.51 0.52 0.95 -0.68 0.00 0.00 175.30 176.68 1i5h s THR 469 N -1.55 5.16 0.74 0.02 -4.23 -1.26 -0.78 115.64 113.73 1i5h s THR 469 Ca 0.28 1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 1i5h s THR 469 Cb -0.11 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 69.91 1i5h s THR 469 CO 0.20 0.31 1.10 -2.28 -0.54 0.00 0.00 174.62 173.42 1i5h s HIS 470 N 0.67 3.17 0.59 3.99 2.46 0.10 -4.89 115.29 121.38 1i5h s HIS 470 Ca 0.28 1.05 0.29 0.00 0.47 0.00 0.00 55.06 57.15 1i5h s HIS 470 Cb -0.16 -3.12 1.72 0.00 -0.13 0.00 0.00 32.58 30.90 1i5h s HIS 470 CO 0.12 -1.38 2.16 1.15 -2.47 0.00 0.00 174.74 174.31 1i5h h THR 471 N -0.80 0.48 0.00 0.89 2.02 -1.98 0.12 112.91 113.65 1i5h h THR 471 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1i5h h THR 471 Cb 1.26 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1i5h h THR 471 CO 0.63 0.00 -0.54 0.47 0.37 0.00 0.00 175.52 176.45 1i5h n ASP 472 N -3.80 0.54 0.00 4.18 8.00 -1.26 -4.94 116.55 119.26 1i5h n ASP 472 Ca -0.00 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1i5h n ASP 472 Cb 0.24 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 2.48 3.68 0.44 0.00 0.42 -5.07 105.19 108.58 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 -0.54 4.31 -0.43 1.61 0.52 -1.26 -4.51 118.95 118.65 1i5h s ARG 474 Ca 0.00 1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 56.55 1i5h s ARG 474 Cb 0.00 -3.63 0.02 0.00 0.52 0.00 0.00 34.95 31.86 1i5h s ARG 474 CO 0.00 -0.54 1.15 0.54 0.02 0.00 0.00 175.30 176.47 1i5h s VAL 475 N 2.70 4.25 0.68 3.52 0.11 -1.26 -0.72 120.40 129.68 1i5h s VAL 475 Ca 0.54 1.33 -0.00 0.00 -2.93 0.00 0.00 61.98 60.92 1i5h s VAL 475 Cb -0.23 -4.52 0.10 0.00 -1.53 0.00 0.00 36.38 30.20 1i5h s VAL 475 CO 0.18 -0.85 0.94 0.72 -3.33 0.00 0.00 175.10 172.76 1i5h s PHE 476 N 4.33 1.88 0.07 1.54 -0.12 0.04 -4.86 117.98 120.85 1i5h s PHE 476 Ca 0.48 -0.22 0.03 0.00 -0.05 0.00 0.00 56.93 57.18 1i5h s PHE 476 Cb -0.09 -2.92 -0.04 0.00 -0.63 0.00 0.00 43.02 39.34 1i5h s PHE 476 CO 0.28 -1.51 0.04 -0.06 -0.05 0.00 0.00 175.22 173.92 1i5h s PHE 477 N -3.05 3.12 -0.13 3.49 0.40 -1.03 -2.39 117.98 118.39 1i5h s PHE 477 Ca 0.64 0.05 -0.05 0.00 -0.60 0.00 0.00 56.93 56.97 1i5h s PHE 477 Cb -0.06 -1.61 0.06 0.00 0.51 0.00 0.00 43.02 41.92 1i5h s PHE 477 CO 0.43 0.50 0.27 -1.50 0.70 0.00 0.00 175.22 175.62 1i5h s ILE 478 N -1.31 -0.26 0.20 0.64 2.07 -0.79 -1.05 121.20 120.70 1i5h s ILE 478 Ca 0.26 0.21 -0.03 0.00 -1.41 0.00 0.00 60.65 59.68 1i5h s ILE 478 Cb -0.12 -0.44 -0.05 0.00 0.13 0.00 0.00 42.46 41.98 1i5h s ILE 478 CO 0.19 0.09 0.42 0.54 -1.91 0.00 0.00 174.94 174.27 1i5h s ASN 479 N 1.92 6.45 -0.00 4.50 4.22 -0.98 -0.08 114.94 130.96 1i5h s ASN 479 Ca -0.04 0.55 0.19 0.00 -2.14 0.00 0.00 52.86 51.43 1i5h s ASN 479 Cb -0.11 -2.08 -0.22 0.00 1.28 0.00 0.00 41.25 40.13 1i5h s ASN 479 CO -0.09 -0.04 0.76 1.41 -2.04 0.00 0.00 177.10 177.10 1i5h n HIS 480 N -0.42 0.00 -0.02 1.54 8.25 0.24 -2.68 115.22 122.12 1i5h n HIS 480 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 1i5h n HIS 480 Cb 0.53 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 1i5h n HIS 480 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1i5h h ASN 481 N 0.00 -0.14 0.00 0.41 2.35 -1.93 -3.28 115.58 112.99 1i5h h ASN 481 Ca 0.00 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1i5h h ASN 481 Cb 0.50 0.10 -0.11 0.00 0.05 0.00 0.00 38.32 38.86 1i5h h ASN 481 CO 0.00 -0.05 -0.53 2.30 -1.65 0.00 0.00 177.43 177.50 1i5h n ILE 482 N -5.17 0.92 -3.51 2.81 -5.35 -1.26 -5.05 119.36 102.75 1i5h n ILE 482 Ca -0.03 -1.51 -0.39 0.00 -0.27 0.00 0.00 62.75 60.55 1i5h n ILE 482 Cb 0.10 0.30 0.04 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.44 -1.93 -3.67 6.28 4.01 -1.18 -5.00 118.16 116.23 1i5h n LYS 483 Ca 0.09 1.42 -0.09 0.00 -0.51 0.00 0.00 58.31 59.23 1i5h n LYS 483 Cb 0.81 -2.11 -0.10 0.00 -0.51 0.00 0.00 35.03 33.12 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 -2.52 0.34 0.43 1.97 2.20 -1.09 -5.00 119.74 116.06 1i5h s LYS 484 Ca 0.37 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.99 1i5h s LYS 484 Cb -0.04 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1i5h s LYS 484 CO 0.88 -0.23 0.62 -0.08 -0.36 0.00 0.00 175.35 176.18 1i5h s THR 485 N 2.31 3.78 -0.08 3.43 -1.32 -1.26 -2.32 115.64 120.18 1i5h s THR 485 Ca -0.04 -0.70 -0.28 0.00 -1.21 0.00 0.00 61.69 59.46 1i5h s THR 485 Cb -0.11 -3.37 0.06 0.00 -1.51 0.00 0.00 72.50 67.58 1i5h s THR 485 CO -0.13 -0.22 0.64 0.00 -2.21 0.00 0.00 174.62 172.71 1i5h s GLN 486 N -4.46 0.98 0.09 7.08 -2.07 -0.22 -4.98 119.66 116.09 1i5h s GLN 486 Ca 0.49 0.32 -0.14 0.00 -1.82 0.00 0.00 55.36 54.21 1i5h s GLN 486 Cb -0.10 0.46 -0.15 0.00 -1.09 0.00 0.00 33.01 32.13 1i5h s GLN 486 CO 0.36 -0.28 1.30 -1.49 -1.32 0.00 0.00 175.29 173.85 1i5h h TRP 487 N 3.40 0.96 -2.54 9.60 -0.00 -1.98 -2.72 115.95 122.67 1i5h h TRP 487 Ca -0.28 -0.41 -0.29 0.00 -0.00 0.00 0.00 58.89 57.92 1i5h h TRP 487 Cb 1.15 -0.15 0.17 0.00 -0.00 0.00 0.00 29.16 30.32 1i5h h TRP 487 CO 0.40 1.22 -0.12 -1.91 -0.00 0.00 0.00 178.44 178.03 1i5h n GLU 488 N -4.05 -4.13 -3.89 0.49 4.07 -1.26 -4.73 120.64 107.14 1i5h n GLU 488 Ca -0.07 -1.16 -0.35 0.00 -0.06 0.00 0.00 57.16 55.52 1i5h n GLU 488 Cb 0.68 -1.46 -0.14 0.00 -0.06 0.00 0.00 31.44 30.46 1i5h n GLU 488 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1i5h s ASP 489 N -2.95 4.57 0.13 4.31 1.01 -1.26 -4.55 116.67 117.93 1i5h s ASP 489 Ca 0.53 -0.78 0.00 0.00 0.71 0.00 0.00 52.55 53.00 1i5h s ASP 489 Cb -0.09 -1.74 -0.13 0.00 1.01 0.00 0.00 42.92 41.98 1i5h s ASP 489 CO 0.44 -0.14 1.28 1.55 0.21 0.00 0.00 175.17 178.51 1i5h h PRO 490 N 8.09 0.22 0.00 8.23 0.13 -1.95 -3.23 132.00 143.49 1i5h h PRO 490 Ca -0.33 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1i5h h PRO 490 Cb 1.12 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1i5h h PRO 490 CO 0.58 1.06 0.00 0.07 -0.23 0.00 0.00 178.00 179.48 1i5h h ARG 491 N 0.10 0.00 0.00 0.86 0.11 -2.00 -2.87 114.38 110.58 1i5h h ARG 491 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1i5h h ARG 491 Cb 1.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.77 1i5h h ARG 491 CO 0.16 0.00 -0.20 1.98 0.10 0.00 0.00 179.97 182.00 1i5h h MET 492 N 0.00 0.00 -2.55 0.08 4.05 -1.99 -3.36 114.93 111.16 1i5h h MET 492 Ca 0.00 0.00 -0.79 0.00 -0.28 0.00 0.00 59.70 58.63 1i5h h MET 492 Cb 0.57 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 31.14 1i5h h MET 492 CO 0.00 0.00 1.44 1.04 0.23 0.00 0.00 176.91 179.62 1i5h n GLN 493 N -2.37 4.94 0.00 0.39 3.00 -1.08 -4.76 117.38 117.49 1i5h n GLN 493 Ca 0.04 -4.25 0.00 0.00 -0.01 0.00 0.00 57.00 52.79 1i5h n GLN 493 Cb 0.45 -2.55 0.00 0.00 0.00 0.00 0.00 30.24 28.14 1i5h n GLN 493 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1i5h n ASN 494 N 0.93 0.00 -2.68 1.08 3.02 -1.26 -4.87 115.26 111.47 1i5h n ASN 494 Ca 0.47 0.46 -0.03 0.00 -0.03 0.00 0.00 54.58 55.45 1i5h n ASN 494 Cb 0.28 -0.39 0.12 0.00 -0.61 0.00 0.00 39.78 39.18 1i5h n ASN 494 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1i5h n VAL 495 N -1.66 0.08 -3.74 2.41 0.24 -1.26 -5.11 118.33 109.29 1i5h n VAL 495 Ca 0.00 -1.24 -0.02 0.00 -2.04 0.00 0.00 64.34 61.04 1i5h n VAL 495 Cb 0.00 1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.37 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i5h s ALA 496 N -0.09 -1.78 0.00 2.33 0.00 -1.26 -5.11 121.76 115.84 1i5h s ALA 496 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1i5h s ALA 496 Cb 0.43 0.60 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1i5h s ALA 496 CO -0.11 -1.05 0.00 -0.89 0.00 0.00 0.00 175.76 173.71 1i5h n ILE 497 N -0.50 0.00 -2.58 0.00 5.41 -1.26 -4.84 119.36 115.59 1i5h n ILE 497 Ca -0.06 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 1i5h n ILE 497 Cb 0.61 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.52 1i5h n ILE 497 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1i5h s THR 498 N -0.86 4.54 0.00 1.39 -1.32 -1.26 -5.22 115.64 112.91 1i5h s THR 498 Ca 0.00 1.84 0.00 0.00 -1.21 0.00 0.00 61.69 62.32 1i5h s THR 498 Cb 0.00 -4.18 0.00 0.00 -1.51 0.00 0.00 72.50 66.81 1i5h s THR 498 CO 0.00 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 172.98