#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 -0.41 -1.11 1.61 1.04 -1.26 -5.09 113.70 108.48 1i5h s SER 451 Ca 0.00 0.62 -0.22 0.00 0.48 0.00 0.00 55.95 56.83 1i5h s SER 451 Cb 0.00 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 1i5h s SER 451 CO 0.00 -0.32 1.84 -2.16 0.98 0.00 0.00 173.24 173.59 1i5h s PRO 452 N -0.47 2.92 0.07 4.02 0.04 -1.26 -4.73 135.00 135.60 1i5h s PRO 452 Ca -0.06 -1.09 -0.06 0.00 0.04 0.00 0.00 61.00 59.82 1i5h s PRO 452 Cb -0.03 -5.27 -0.27 0.00 0.04 0.00 0.00 34.50 28.97 1i5h s PRO 452 CO 0.03 -3.29 1.14 -0.39 0.04 0.00 0.00 177.00 174.53 1i5h h VAL 453 N 6.42 1.45 -0.80 -0.36 -1.51 -2.03 -3.42 116.25 116.00 1i5h h VAL 453 Ca 0.23 -2.92 -0.27 0.00 -1.23 0.00 0.00 66.70 62.50 1i5h h VAL 453 Cb 0.95 2.90 -0.20 0.00 -2.13 0.00 0.00 31.29 32.81 1i5h h VAL 453 CO 1.29 0.86 -0.61 -0.67 -1.23 0.00 0.00 177.57 177.21 1i5h n ASP 454 N -3.59 -2.49 0.06 4.19 2.03 -1.26 -5.03 116.55 110.46 1i5h n ASP 454 Ca -0.10 -3.02 -0.03 0.00 0.52 0.00 0.00 54.79 52.16 1i5h n ASP 454 Cb 1.01 1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 42.68 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 4.48 -0.19 -3.16 1.67 4.64 -1.96 -3.45 113.55 115.58 1i5h h SER 455 Ca -0.01 0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.72 1i5h h SER 455 Cb 1.03 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.10 1i5h h SER 455 CO 0.24 0.11 -0.19 0.54 -0.87 0.00 0.00 176.83 176.66 1i5h s ASN 456 N -4.32 6.73 0.00 4.97 4.22 -1.26 -5.00 114.94 120.28 1i5h s ASN 456 Ca -0.03 0.87 0.00 0.00 -2.14 0.00 0.00 52.86 51.56 1i5h s ASN 456 Cb 0.00 -2.26 0.00 0.00 1.28 0.00 0.00 41.25 40.28 1i5h s ASN 456 CO 0.10 0.19 0.00 -0.67 -2.04 0.00 0.00 177.10 174.68 1i5h n ASP 457 N 2.64 0.00 -0.07 3.54 -0.08 -1.26 -5.06 116.55 116.27 1i5h n ASP 457 Ca -0.11 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.08 1i5h n ASP 457 Cb 0.52 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.91 1i5h n ASP 457 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1i5h n LEU 458 N 0.00 2.26 0.00 -2.67 4.77 -1.26 -5.09 117.00 115.01 1i5h n LEU 458 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1i5h n LEU 458 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1i5h n LEU 458 CO 0.00 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1i5h n GLY 459 N 2.71 1.48 2.46 -0.72 0.00 -1.26 -4.56 105.19 105.29 1i5h n GLY 459 Ca -0.23 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 2.20 2.80 -1.26 1.61 -0.04 -1.26 -4.90 135.00 134.15 1i5h n PRO 460 Ca 0.00 -1.77 0.15 0.00 -0.04 0.00 0.00 63.50 61.85 1i5h n PRO 460 Cb 0.00 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 30.82 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 3.86 -0.69 -4.76 1.53 4.77 -1.26 -4.86 117.00 115.59 1i5h n LEU 461 Ca 0.60 1.57 -0.29 0.00 -0.03 0.00 0.00 56.01 57.86 1i5h n LEU 461 Cb 0.20 -4.03 0.14 0.00 -2.33 0.00 0.00 43.42 37.39 1i5h n LEU 461 CO 0.75 -2.56 0.69 -2.84 -1.33 0.00 0.00 177.39 172.11 1i5h s PRO 462 N -3.04 1.15 0.18 3.23 0.02 -1.26 -4.93 135.00 130.34 1i5h s PRO 462 Ca 0.00 0.44 -0.32 0.00 0.02 0.00 0.00 61.00 61.14 1i5h s PRO 462 Cb 0.00 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 1i5h s PRO 462 CO 0.00 -2.22 1.62 -1.25 -0.33 0.00 0.00 177.00 174.81 1i5h s PRO 463 N -5.16 4.19 0.00 5.54 0.04 -1.26 -1.85 135.00 136.50 1i5h s PRO 463 Ca 0.64 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1i5h s PRO 463 Cb -0.16 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1i5h s PRO 463 CO 0.55 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1i5h n GLY 464 N 3.82 2.31 3.94 0.56 0.00 -1.26 -4.90 105.19 109.65 1i5h n GLY 464 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.27 3.36 -0.08 1.61 0.52 -0.77 0.12 118.94 121.42 1i5h s TRP 465 Ca 0.00 0.43 -0.15 0.00 0.02 0.00 0.00 56.10 56.40 1i5h s TRP 465 Cb 0.00 -2.28 0.03 0.00 -1.15 0.00 0.00 33.47 30.07 1i5h s TRP 465 CO 0.00 -0.30 0.37 -1.21 0.02 0.00 0.00 176.95 175.83 1i5h s GLU 466 N -4.60 0.59 -0.56 4.98 0.41 0.81 -4.82 118.70 115.51 1i5h s GLU 466 Ca 0.47 0.20 -0.20 0.00 -0.41 0.00 0.00 54.97 55.03 1i5h s GLU 466 Cb -0.10 0.27 0.08 0.00 -1.78 0.00 0.00 34.13 32.60 1i5h s GLU 466 CO 0.40 -0.13 0.71 -1.83 -0.49 0.00 0.00 175.26 173.92 1i5h s GLU 467 N -0.56 3.10 0.04 1.61 -1.05 -1.26 -1.77 118.70 118.81 1i5h s GLU 467 Ca -0.07 -1.04 -0.00 0.00 -0.15 0.00 0.00 54.97 53.72 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 -1.43 0.17 1.03 0.95 0.00 0.00 175.26 176.01 1i5h s ARG 468 N 2.86 3.32 -0.21 -4.83 1.81 -0.76 -4.95 118.95 116.19 1i5h s ARG 468 Ca 0.15 -0.46 -0.17 0.00 -1.72 0.00 0.00 55.73 53.53 1i5h s ARG 468 Cb -0.21 -2.99 -0.03 0.00 -0.45 0.00 0.00 34.95 31.27 1i5h s ARG 468 CO 0.10 0.62 0.46 0.95 -0.68 0.00 0.00 175.30 176.74 1i5h s THR 469 N -1.43 5.15 0.59 0.02 -4.23 -1.26 -0.47 115.64 114.00 1i5h s THR 469 Ca 0.32 0.81 -0.13 0.00 -1.18 0.00 0.00 61.69 61.51 1i5h s THR 469 Cb -0.13 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 69.88 1i5h s THR 469 CO 0.24 0.20 1.02 -2.28 -0.54 0.00 0.00 174.62 173.26 1i5h s HIS 470 N 1.59 3.49 0.64 3.99 2.46 -0.60 -4.92 115.29 121.95 1i5h s HIS 470 Ca 0.21 1.38 0.36 0.00 0.47 0.00 0.00 55.06 57.48 1i5h s HIS 470 Cb -0.15 -2.77 2.00 0.00 -0.13 0.00 0.00 32.58 31.52 1i5h s HIS 470 CO 0.09 -0.64 2.19 1.15 -2.47 0.00 0.00 174.74 175.05 1i5h h THR 471 N 0.14 0.16 0.00 0.89 2.02 -1.98 0.22 112.91 114.37 1i5h h THR 471 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1i5h h THR 471 Cb 1.19 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1i5h h THR 471 CO 0.61 0.00 -0.57 0.47 0.37 0.00 0.00 175.52 176.40 1i5h n ASP 472 N -3.28 0.64 0.00 4.18 8.00 -1.26 -4.94 116.55 119.89 1i5h n ASP 472 Ca -0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1i5h n ASP 472 Cb 0.21 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 1.37 2.60 3.67 0.44 0.00 0.79 -5.06 105.19 108.99 1i5h n GLY 473 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 4.28 -0.42 1.61 0.52 -1.26 -4.60 118.95 118.53 1i5h s ARG 474 Ca 0.00 1.51 -0.29 0.00 -0.52 0.00 0.00 55.73 56.43 1i5h s ARG 474 Cb 0.00 -3.67 0.02 0.00 0.52 0.00 0.00 34.95 31.82 1i5h s ARG 474 CO 0.00 -0.61 1.19 0.54 0.02 0.00 0.00 175.30 176.45 1i5h s VAL 475 N 3.09 4.19 0.70 3.52 0.11 -1.26 -1.55 120.40 129.21 1i5h s VAL 475 Ca 0.50 1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 60.78 1i5h s VAL 475 Cb -0.19 -4.46 0.10 0.00 -1.53 0.00 0.00 36.38 30.30 1i5h s VAL 475 CO 0.12 -0.83 0.98 0.72 -3.33 0.00 0.00 175.10 172.75 1i5h s PHE 476 N 4.50 2.02 0.09 1.54 -0.71 0.38 -4.84 117.98 120.96 1i5h s PHE 476 Ca 0.51 -0.08 0.04 0.00 -1.04 0.00 0.00 56.93 56.35 1i5h s PHE 476 Cb -0.10 -3.06 -0.04 0.00 -1.21 0.00 0.00 43.02 38.61 1i5h s PHE 476 CO 0.29 -1.57 0.06 -0.06 -1.34 0.00 0.00 175.22 172.59 1i5h s PHE 477 N -3.14 3.13 -0.13 3.49 0.40 -1.06 -1.82 117.98 118.85 1i5h s PHE 477 Ca 0.64 0.04 -0.05 0.00 -0.60 0.00 0.00 56.93 56.96 1i5h s PHE 477 Cb -0.07 -1.58 0.06 0.00 0.51 0.00 0.00 43.02 41.94 1i5h s PHE 477 CO 0.44 0.51 0.29 -1.50 0.70 0.00 0.00 175.22 175.66 1i5h s ILE 478 N -1.41 -0.31 0.09 0.64 2.07 -0.73 -1.57 121.20 119.98 1i5h s ILE 478 Ca 0.28 0.22 -0.06 0.00 -1.41 0.00 0.00 60.65 59.68 1i5h s ILE 478 Cb -0.12 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.95 1i5h s ILE 478 CO 0.21 0.09 0.35 0.54 -1.91 0.00 0.00 174.94 174.22 1i5h s ASN 479 N 2.04 6.52 0.00 4.50 4.22 0.26 -0.13 114.94 132.35 1i5h s ASN 479 Ca -0.03 0.62 0.22 0.00 -2.14 0.00 0.00 52.86 51.53 1i5h s ASN 479 Cb -0.11 -2.11 -0.06 0.00 1.28 0.00 0.00 41.25 40.25 1i5h s ASN 479 CO -0.09 0.13 1.02 1.41 -2.04 0.00 0.00 177.10 177.53 1i5h n HIS 480 N 0.54 0.00 -0.06 1.54 8.25 0.32 -1.96 115.22 123.85 1i5h n HIS 480 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 1i5h n HIS 480 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 1.78 0.27 0.00 0.41 2.35 -1.93 -3.28 115.58 115.18 1i5h h ASN 481 Ca 0.00 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1i5h h ASN 481 Cb 0.67 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.85 1i5h h ASN 481 CO 0.00 0.24 -0.58 2.30 -1.65 0.00 0.00 177.43 177.74 1i5h n ILE 482 N -4.90 1.11 -3.41 2.81 -5.35 -1.26 -5.05 119.36 103.31 1i5h n ILE 482 Ca -0.03 -1.86 -0.33 0.00 -0.27 0.00 0.00 62.75 60.26 1i5h n ILE 482 Cb 0.05 0.27 0.03 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.49 -1.92 -3.96 6.28 4.01 -1.20 -5.01 118.16 115.87 1i5h n LYS 483 Ca 0.11 1.49 -0.09 0.00 -0.51 0.00 0.00 58.31 59.31 1i5h n LYS 483 Cb 0.83 -2.45 -0.06 0.00 -0.51 0.00 0.00 35.03 32.85 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 -2.39 1.45 0.12 1.97 2.47 -0.83 -5.02 119.74 117.51 1i5h s LYS 484 Ca 0.35 -1.20 -0.05 0.00 -1.56 0.00 0.00 55.97 53.51 1i5h s LYS 484 Cb -0.04 0.45 -0.02 0.00 -1.46 0.00 0.00 37.83 36.76 1i5h s LYS 484 CO 0.82 -0.59 0.14 -0.08 0.16 0.00 0.00 175.35 175.80 1i5h s THR 485 N -3.99 0.12 -0.07 3.43 -1.32 -1.26 -0.58 115.64 111.97 1i5h s THR 485 Ca 0.20 -1.59 -0.28 0.00 -1.21 0.00 0.00 61.69 58.82 1i5h s THR 485 Cb 0.00 -1.75 0.06 0.00 -1.51 0.00 0.00 72.50 69.30 1i5h s THR 485 CO 0.06 -0.54 0.63 0.00 -2.21 0.00 0.00 174.62 172.55 1i5h s GLN 486 N -3.96 0.97 0.09 7.08 -2.07 -0.61 -4.99 119.66 116.17 1i5h s GLN 486 Ca 0.15 0.27 -0.14 0.00 -1.82 0.00 0.00 55.36 53.82 1i5h s GLN 486 Cb 0.06 0.46 -0.14 0.00 -1.09 0.00 0.00 33.01 32.29 1i5h s GLN 486 CO -0.03 -0.28 1.32 -1.49 -1.32 0.00 0.00 175.29 173.48 1i5h h TRP 487 N 3.35 0.96 -3.12 9.60 4.06 -1.98 -2.80 115.95 126.03 1i5h h TRP 487 Ca -0.28 -0.39 -0.40 0.00 2.06 0.00 0.00 58.89 59.88 1i5h h TRP 487 Cb 1.15 -0.16 0.21 0.00 -1.00 0.00 0.00 29.16 29.36 1i5h h TRP 487 CO 0.40 1.20 -0.07 -1.21 -3.56 0.00 0.00 178.44 175.20 1i5h s GLU 488 N -3.87 -2.39 -0.36 0.49 2.02 -1.26 -4.70 118.70 108.62 1i5h s GLU 488 Ca -0.11 0.27 -0.10 0.00 0.02 0.00 0.00 54.97 55.05 1i5h s GLU 488 Cb 0.08 -1.43 0.03 0.00 0.10 0.00 0.00 34.13 32.91 1i5h s GLU 488 CO 0.87 -4.56 0.18 -0.51 0.02 0.00 0.00 175.26 171.26 1i5h s ASP 489 N -3.06 5.61 0.25 -0.19 1.11 -1.26 -4.56 116.67 114.58 1i5h s ASP 489 Ca 0.69 -0.99 0.06 0.00 0.18 0.00 0.00 52.55 52.49 1i5h s ASP 489 Cb -0.16 -1.98 0.30 0.00 1.07 0.00 0.00 42.92 42.15 1i5h s ASP 489 CO 0.59 -0.36 1.59 1.55 1.18 0.00 0.00 175.17 179.73 1i5h h PRO 490 N 8.38 0.17 0.00 8.23 0.13 -1.94 -2.94 132.00 144.03 1i5h h PRO 490 Ca -0.26 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1i5h h PRO 490 Cb 1.10 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1i5h h PRO 490 CO 0.65 0.71 0.00 0.07 -0.23 0.00 0.00 178.00 179.20 1i5h h ARG 491 N 0.13 0.00 0.00 0.86 0.11 -2.00 -2.97 114.38 110.51 1i5h h ARG 491 Ca -0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1i5h h ARG 491 Cb 1.07 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.12 1i5h h ARG 491 CO 0.09 0.00 -1.03 1.98 0.10 0.00 0.00 179.97 181.10 1i5h h MET 492 N 0.00 0.00 -3.10 0.08 4.05 -1.94 -3.37 114.93 110.65 1i5h h MET 492 Ca 0.00 0.00 -0.74 0.00 -0.28 0.00 0.00 59.70 58.68 1i5h h MET 492 Cb 0.53 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.21 1i5h h MET 492 CO 0.00 0.67 2.40 0.94 0.23 0.00 0.00 176.91 181.15 1i5h n GLN 493 N -3.19 4.01 0.03 0.39 -0.06 -1.12 -4.69 117.38 112.75 1i5h n GLN 493 Ca -0.04 -3.34 -0.03 0.00 -2.00 0.00 0.00 57.00 51.60 1i5h n GLN 493 Cb 0.88 -2.81 -0.01 0.00 -4.06 0.00 0.00 30.24 24.25 1i5h n GLN 493 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1i5h h ASN 494 N 5.20 -0.14 -0.81 1.69 4.21 -1.79 -3.46 115.58 120.48 1i5h h ASN 494 Ca 0.58 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.93 1i5h h ASN 494 Cb 0.46 0.04 -0.16 0.00 -1.12 0.00 0.00 38.32 37.54 1i5h h ASN 494 CO 1.59 0.23 -0.49 0.55 -1.29 0.00 0.00 177.43 178.02 1i5h n VAL 495 N -4.26 0.00 -2.71 2.81 3.14 -1.26 -5.05 118.33 110.99 1i5h n VAL 495 Ca -0.02 -1.09 -0.05 0.00 -2.96 0.00 0.00 64.34 60.22 1i5h n VAL 495 Cb 0.06 1.09 0.04 0.00 -1.06 0.00 0.00 33.84 33.98 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i5h n ALA 496 N 2.70 -2.72 -2.72 1.55 0.00 -1.26 -5.04 120.51 113.02 1i5h n ALA 496 Ca 0.16 -0.62 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1i5h n ALA 496 Cb 0.57 -2.38 0.10 0.00 0.00 0.00 0.00 19.45 17.75 1i5h n ALA 496 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1i5h n ILE 497 N 2.24 0.08 -1.92 0.00 -5.35 -1.26 -5.06 119.36 108.10 1i5h n ILE 497 Ca 0.10 -1.73 -0.43 0.00 -0.27 0.00 0.00 62.75 60.43 1i5h n ILE 497 Cb 0.63 1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 1i5h n ILE 497 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1i5h s THR 498 N -0.15 3.40 0.00 7.28 -4.23 -1.26 -5.27 115.64 115.42 1i5h s THR 498 Ca 0.23 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1i5h s THR 498 Cb 0.38 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1i5h s THR 498 CO -0.07 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.40