#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 5.07 0.25 1.61 0.01 -1.26 -4.93 113.70 114.45 1i5h s SER 451 Ca 0.00 -3.05 0.01 0.00 1.31 0.00 0.00 55.95 54.21 1i5h s SER 451 Cb 0.00 -1.80 0.30 0.00 0.21 0.00 0.00 66.02 64.73 1i5h s SER 451 CO 0.00 -0.30 1.64 1.55 0.41 0.00 0.00 173.24 176.55 1i5h h PRO 452 N 6.69 0.50 -1.24 12.44 0.13 -2.09 -3.47 132.00 144.96 1i5h h PRO 452 Ca -0.00 -0.23 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 1i5h h PRO 452 Cb 0.91 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1i5h h PRO 452 CO 0.72 0.79 -0.18 0.28 -0.23 0.00 0.00 178.00 179.38 1i5h n VAL 453 N -4.06 -0.43 -2.09 1.56 0.31 -1.26 -4.87 118.33 107.49 1i5h n VAL 453 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1i5h n VAL 453 Cb 0.48 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1i5h n VAL 453 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1i5h n ASP 454 N 0.59 -0.71 -3.27 4.52 8.00 -1.26 -5.15 116.55 119.26 1i5h n ASP 454 Ca -0.07 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.02 1i5h n ASP 454 Cb 0.55 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1i5h n ASP 454 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1i5h n SER 455 N -0.34 0.00 -4.53 -2.24 2.88 -1.26 -4.75 113.62 103.38 1i5h n SER 455 Ca -0.15 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.13 1i5h n SER 455 Cb 0.60 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.94 1i5h n SER 455 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1i5h n ASN 456 N 0.00 0.79 -4.22 -3.46 5.03 -1.26 -4.88 115.26 107.27 1i5h n ASN 456 Ca 0.00 -0.69 -0.30 0.00 0.87 0.00 0.00 54.58 54.46 1i5h n ASN 456 Cb 0.00 -1.21 -0.17 0.00 -1.02 0.00 0.00 39.78 37.38 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 8.09 2.86 -0.03 6.41 1.11 -1.26 -5.11 116.67 128.73 1i5h s ASP 457 Ca 1.13 -0.49 0.03 0.00 0.18 0.00 0.00 52.55 53.40 1i5h s ASP 457 Cb -0.55 -0.97 -0.00 0.00 1.07 0.00 0.00 42.92 42.47 1i5h s ASP 457 CO 0.33 0.19 -0.12 -0.76 1.18 0.00 0.00 175.17 175.99 1i5h s LEU 458 N 0.07 1.86 0.00 1.23 1.43 -1.26 -5.11 118.68 116.89 1i5h s LEU 458 Ca -0.09 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1i5h s LEU 458 Cb -0.15 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1i5h s LEU 458 CO 0.05 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1i5h n GLY 459 N 3.18 0.32 2.56 -3.19 0.00 -1.26 -4.76 105.19 102.03 1i5h n GLY 459 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 2.53 -1.33 1.61 -0.04 -1.26 -4.88 135.00 131.63 1i5h n PRO 460 Ca 0.00 -1.72 0.16 0.00 -0.04 0.00 0.00 63.50 61.90 1i5h n PRO 460 Cb 0.00 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.27 -0.82 -4.30 1.53 4.77 -1.26 -4.88 117.00 116.32 1i5h n LEU 461 Ca 0.55 1.89 -0.31 0.00 -0.03 0.00 0.00 56.01 58.11 1i5h n LEU 461 Cb 0.18 -3.77 0.29 0.00 -2.33 0.00 0.00 43.42 37.79 1i5h n LEU 461 CO 0.77 -2.34 0.41 -2.84 -1.33 0.00 0.00 177.39 172.06 1i5h s PRO 462 N -3.70 -3.11 -0.13 3.23 0.02 -1.26 -4.87 135.00 125.18 1i5h s PRO 462 Ca 0.00 0.02 -0.29 0.00 0.02 0.00 0.00 61.00 60.74 1i5h s PRO 462 Cb 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 34.50 33.13 1i5h s PRO 462 CO 0.00 -4.97 1.34 -1.25 -0.33 0.00 0.00 177.00 171.80 1i5h s PRO 463 N -5.20 4.23 0.00 5.54 0.04 -1.26 -2.77 135.00 135.58 1i5h s PRO 463 Ca 0.69 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1i5h s PRO 463 Cb -0.11 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1i5h s PRO 463 CO 0.57 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1i5h n GLY 464 N 3.70 0.78 3.97 0.56 0.00 -1.26 -4.87 105.19 108.06 1i5h n GLY 464 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.56 2.98 -0.13 1.61 0.52 -1.12 0.73 118.94 120.97 1i5h s TRP 465 Ca 0.00 0.05 -0.15 0.00 0.02 0.00 0.00 56.10 56.01 1i5h s TRP 465 Cb 0.00 -2.58 0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1i5h s TRP 465 CO 0.00 -0.66 0.42 -2.00 0.02 0.00 0.00 176.95 174.72 1i5h s GLU 466 N -4.66 0.55 -0.50 4.98 2.12 0.96 -4.87 118.70 117.28 1i5h s GLU 466 Ca 0.54 0.46 -0.17 0.00 0.36 0.00 0.00 54.97 56.15 1i5h s GLU 466 Cb -0.10 0.26 0.07 0.00 0.26 0.00 0.00 34.13 34.62 1i5h s GLU 466 CO 0.38 -0.09 0.52 -1.83 -0.54 0.00 0.00 175.26 173.70 1i5h s GLU 467 N -0.07 3.05 -0.04 4.30 -1.05 -1.26 -2.01 118.70 121.62 1i5h s GLU 467 Ca -0.03 -1.14 0.04 0.00 -0.15 0.00 0.00 54.97 53.69 1i5h s GLU 467 Cb -0.03 -4.13 -0.03 0.00 -0.44 0.00 0.00 34.13 29.50 1i5h s GLU 467 CO 0.02 -1.15 -0.13 1.03 0.95 0.00 0.00 175.26 175.98 1i5h s ARG 468 N 2.16 2.50 -0.02 -4.83 1.81 -1.08 -4.96 118.95 114.53 1i5h s ARG 468 Ca 0.10 -0.70 -0.30 0.00 -1.72 0.00 0.00 55.73 53.10 1i5h s ARG 468 Cb -0.22 -2.40 -0.03 0.00 -0.45 0.00 0.00 34.95 31.85 1i5h s ARG 468 CO 0.09 0.62 1.03 0.95 -0.68 0.00 0.00 175.30 177.31 1i5h s THR 469 N -0.79 4.71 0.72 0.02 -4.23 -1.26 -0.63 115.64 114.18 1i5h s THR 469 Ca 0.13 1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 62.48 1i5h s THR 469 Cb -0.11 -4.25 0.02 0.00 1.34 0.00 0.00 72.50 69.50 1i5h s THR 469 CO 0.02 0.11 1.08 -2.28 -0.54 0.00 0.00 174.62 173.01 1i5h s HIS 470 N 1.31 3.18 0.62 3.99 2.46 0.47 -4.88 115.29 122.44 1i5h s HIS 470 Ca 0.52 1.18 0.33 0.00 0.47 0.00 0.00 55.06 57.56 1i5h s HIS 470 Cb -0.22 -3.00 1.83 0.00 -0.13 0.00 0.00 32.58 31.06 1i5h s HIS 470 CO 0.26 -1.30 2.13 1.15 -2.47 0.00 0.00 174.74 174.50 1i5h h THR 471 N -0.75 0.27 0.00 0.89 2.02 -1.96 0.31 112.91 113.69 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 1.24 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1i5h h THR 471 CO 0.61 0.00 -0.55 0.47 0.37 0.00 0.00 175.52 176.42 1i5h n ASP 472 N -3.46 0.56 0.00 4.18 8.00 -1.26 -4.94 116.55 119.63 1i5h n ASP 472 Ca -0.00 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1i5h n ASP 472 Cb 0.28 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.43 2.59 3.67 0.44 0.00 0.11 -5.07 105.19 108.36 1i5h n GLY 473 Ca 0.04 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 4.31 -0.43 1.61 0.52 -1.26 -4.49 118.95 118.68 1i5h s ARG 474 Ca 0.00 1.48 -0.29 0.00 -0.52 0.00 0.00 55.73 56.40 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 1.16 0.54 0.02 0.00 0.00 175.30 176.47 1i5h s VAL 475 N 2.83 4.23 0.62 3.52 0.11 -1.26 -0.40 120.40 130.06 1i5h s VAL 475 Ca 0.49 1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 60.82 1i5h s VAL 475 Cb -0.19 -4.52 0.13 0.00 -1.53 0.00 0.00 36.38 30.28 1i5h s VAL 475 CO 0.13 -0.86 0.85 2.22 -3.33 0.00 0.00 175.10 174.11 1i5h n PHE 476 N 7.73 -3.19 -4.29 1.54 -1.74 0.20 -4.84 117.46 112.87 1i5h n PHE 476 Ca 0.13 -1.33 -0.30 0.00 -0.56 0.00 0.00 57.45 55.38 1i5h n PHE 476 Cb 0.48 -0.63 -0.10 0.00 1.52 0.00 0.00 39.48 40.76 1i5h n PHE 476 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1i5h s PHE 477 N -2.59 2.75 -0.12 2.97 0.40 -1.08 -2.62 117.98 117.69 1i5h s PHE 477 Ca 0.54 -0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.67 1i5h s PHE 477 Cb -0.03 -1.46 0.05 0.00 0.51 0.00 0.00 43.02 42.10 1i5h s PHE 477 CO 0.37 0.41 0.28 -1.50 0.70 0.00 0.00 175.22 175.47 1i5h s ILE 478 N -1.17 -0.17 0.23 0.64 2.07 -0.85 -1.46 121.20 120.50 1i5h s ILE 478 Ca 0.20 0.18 -0.00 0.00 -1.41 0.00 0.00 60.65 59.62 1i5h s ILE 478 Cb -0.11 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 1i5h s ILE 478 CO 0.12 0.07 0.43 0.54 -1.91 0.00 0.00 174.94 174.19 1i5h s ASN 479 N 1.66 6.37 0.00 4.50 4.22 0.76 -0.03 114.94 132.42 1i5h s ASN 479 Ca -0.06 0.41 0.12 0.00 -2.14 0.00 0.00 52.86 51.19 1i5h s ASN 479 Cb -0.11 -2.01 -0.07 0.00 1.28 0.00 0.00 41.25 40.34 1i5h s ASN 479 CO -0.09 -0.10 0.59 1.41 -2.04 0.00 0.00 177.10 176.87 1i5h n HIS 480 N -0.91 0.00 -0.22 1.54 8.25 0.22 -2.26 115.22 121.85 1i5h n HIS 480 Ca -0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.35 1i5h n HIS 480 Cb 0.54 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.69 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 0.61 0.70 0.00 0.41 2.35 -1.91 -3.27 115.58 114.47 1i5h h ASN 481 Ca 0.00 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1i5h h ASN 481 Cb 0.34 -0.17 -0.18 0.00 0.05 0.00 0.00 38.32 38.36 1i5h h ASN 481 CO 0.00 0.51 -0.69 2.30 -1.65 0.00 0.00 177.43 177.90 1i5h n ILE 482 N -4.66 0.68 -3.36 2.81 -5.35 -1.26 -5.05 119.36 103.16 1i5h n ILE 482 Ca 0.05 -1.40 -0.31 0.00 -0.27 0.00 0.00 62.75 60.82 1i5h n ILE 482 Cb 0.02 0.49 0.03 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.17 -1.96 -3.92 6.28 4.01 -1.24 -5.01 118.16 116.16 1i5h n LYS 483 Ca 0.09 1.54 -0.09 0.00 -0.51 0.00 0.00 58.31 59.33 1i5h n LYS 483 Cb 0.89 -2.70 -0.06 0.00 -0.51 0.00 0.00 35.03 32.66 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 -2.40 1.35 0.18 1.97 2.20 -0.96 -5.02 119.74 117.06 1i5h s LYS 484 Ca 0.34 -1.12 -0.06 0.00 -0.36 0.00 0.00 55.97 54.76 1i5h s LYS 484 Cb -0.04 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1i5h s LYS 484 CO 0.81 -0.54 0.24 -0.08 -0.36 0.00 0.00 175.35 175.42 1i5h s THR 485 N -3.96 0.05 -0.06 3.43 -1.32 -1.26 -0.17 115.64 112.34 1i5h s THR 485 Ca 0.17 -1.61 -0.28 0.00 -1.21 0.00 0.00 61.69 58.76 1i5h s THR 485 Cb 0.01 -2.06 0.06 0.00 -1.51 0.00 0.00 72.50 69.00 1i5h s THR 485 CO 0.02 -0.23 0.63 0.00 -2.21 0.00 0.00 174.62 172.83 1i5h s GLN 486 N -4.03 0.98 0.04 7.08 -2.07 -0.53 -4.99 119.66 116.14 1i5h s GLN 486 Ca 0.24 0.26 -0.19 0.00 -1.82 0.00 0.00 55.36 53.85 1i5h s GLN 486 Cb 0.04 0.46 -0.16 0.00 -1.09 0.00 0.00 33.01 32.26 1i5h s GLN 486 CO 0.04 -0.29 1.27 -1.49 -1.32 0.00 0.00 175.29 173.51 1i5h h TRP 487 N 3.32 0.60 -3.15 9.60 -0.00 -1.99 -2.86 115.95 121.48 1i5h h TRP 487 Ca -0.28 -0.23 -0.40 0.00 -0.00 0.00 0.00 58.89 57.98 1i5h h TRP 487 Cb 1.15 -0.11 0.21 0.00 -0.00 0.00 0.00 29.16 30.41 1i5h h TRP 487 CO 0.40 0.96 -0.06 -2.00 -0.00 0.00 0.00 178.44 177.75 1i5h s GLU 488 N -3.91 -2.12 -0.24 0.49 2.12 -1.26 -4.66 118.70 109.11 1i5h s GLU 488 Ca -0.13 0.37 -0.07 0.00 0.36 0.00 0.00 54.97 55.49 1i5h s GLU 488 Cb 0.05 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 1i5h s GLU 488 CO 0.80 -4.40 0.06 -0.51 -0.54 0.00 0.00 175.26 170.67 1i5h s ASP 489 N -2.97 5.07 -0.01 -1.70 1.11 -1.26 -4.54 116.67 112.37 1i5h s ASP 489 Ca 0.69 -0.21 -0.10 0.00 0.18 0.00 0.00 52.55 53.10 1i5h s ASP 489 Cb -0.17 -1.90 -0.31 0.00 1.07 0.00 0.00 42.92 41.60 1i5h s ASP 489 CO 0.60 -0.02 0.84 1.55 1.18 0.00 0.00 175.17 179.32 1i5h h PRO 490 N 8.13 0.40 0.00 8.23 0.13 -1.95 -2.78 132.00 144.17 1i5h h PRO 490 Ca -0.38 -0.69 -0.10 0.00 -0.87 0.00 0.00 66.00 63.96 1i5h h PRO 490 Cb 1.17 0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1i5h h PRO 490 CO 0.58 1.31 -0.49 0.07 -0.23 0.00 0.00 178.00 179.25 1i5h h ARG 491 N 0.11 0.00 0.00 0.86 0.11 -1.99 -3.16 114.38 110.30 1i5h h ARG 491 Ca -0.28 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.55 1i5h h ARG 491 Cb 2.10 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 33.14 1i5h h ARG 491 CO 0.21 0.49 -1.32 1.98 0.10 0.00 0.00 179.97 181.42 1i5h h MET 492 N 0.00 0.00 -6.08 0.08 4.05 -1.99 -3.43 114.93 107.56 1i5h h MET 492 Ca -0.00 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.92 1i5h h MET 492 Cb 1.11 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.84 1i5h h MET 492 CO 0.06 0.76 1.18 -0.65 0.23 0.00 0.00 176.91 178.49 1i5h s GLN 493 N -2.66 3.06 -0.28 0.39 -1.52 -1.05 -4.90 119.66 112.69 1i5h s GLN 493 Ca -0.02 -0.31 -0.20 0.00 -1.95 0.00 0.00 55.36 52.88 1i5h s GLN 493 Cb 0.09 -4.73 0.10 0.00 -0.22 0.00 0.00 33.01 28.25 1i5h s GLN 493 CO 0.82 -2.54 0.82 0.54 -0.25 0.00 0.00 175.29 174.68 1i5h s ASN 494 N 5.88 -0.72 -1.15 5.90 2.20 -1.26 -4.93 114.94 120.86 1i5h s ASN 494 Ca 0.52 1.24 -0.11 0.00 -0.94 0.00 0.00 52.86 53.57 1i5h s ASN 494 Cb -0.06 1.28 0.10 0.00 -2.00 0.00 0.00 41.25 40.57 1i5h s ASN 494 CO 0.06 -0.20 0.40 0.55 -2.94 0.00 0.00 177.10 174.97 1i5h n VAL 495 N 3.38 -0.47 -3.60 3.54 3.14 -1.26 -4.87 118.33 118.19 1i5h n VAL 495 Ca -0.17 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.19 1i5h n VAL 495 Cb 0.57 -1.01 -0.06 0.00 -1.06 0.00 0.00 33.84 32.28 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i5h s ALA 496 N -2.80 -2.34 -1.49 1.55 0.00 -1.26 -4.93 121.76 110.50 1i5h s ALA 496 Ca 0.43 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.58 1i5h s ALA 496 Cb -0.24 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1i5h s ALA 496 CO 0.53 -0.48 0.00 -0.89 0.00 0.00 0.00 175.76 174.91 1i5h n ILE 497 N 4.03 -0.26 -3.70 0.00 -0.00 -1.26 -4.90 119.36 113.27 1i5h n ILE 497 Ca -0.17 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.24 1i5h n ILE 497 Cb 0.56 -1.69 -0.05 0.00 -0.00 0.00 0.00 39.64 38.46 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 -2.44 5.24 0.00 1.39 -4.23 -1.26 -5.05 115.64 109.29 1i5h s THR 498 Ca 0.00 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1i5h s THR 498 Cb 0.00 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1i5h s THR 498 CO 0.00 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.05