#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 -0.82 0.58 1.61 0.15 -1.26 -4.78 113.70 109.18 1i5h s SER 451 Ca 0.00 -0.75 0.28 0.00 0.70 0.00 0.00 55.95 56.18 1i5h s SER 451 Cb 0.00 1.06 1.55 0.00 -1.71 0.00 0.00 66.02 66.93 1i5h s SER 451 CO 0.00 -0.05 2.02 -0.65 1.20 0.00 0.00 173.24 175.75 1i5h h PRO 452 N 5.16 0.00 0.00 5.44 0.11 -2.07 -3.41 132.00 137.24 1i5h h PRO 452 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1i5h h PRO 452 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i5h h PRO 452 CO -0.03 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.04 1i5h n VAL 453 N -3.87 0.00 -2.68 3.15 0.31 -1.26 -5.06 118.33 108.92 1i5h n VAL 453 Ca 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.33 1i5h n VAL 453 Cb 0.48 -0.04 0.08 0.00 -0.91 0.00 0.00 33.84 33.45 1i5h n VAL 453 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1i5h n ASP 454 N -2.70 -1.51 0.06 4.52 2.03 -1.26 -5.02 116.55 112.67 1i5h n ASP 454 Ca 0.00 -2.05 -0.11 0.00 0.52 0.00 0.00 54.79 53.16 1i5h n ASP 454 Cb 0.00 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 1i5h n ASP 454 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1i5h h SER 455 N 3.06 0.47 -5.14 1.67 0.87 -1.89 -3.49 113.55 109.10 1i5h h SER 455 Ca -0.24 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1i5h h SER 455 Cb 1.18 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.92 1i5h h SER 455 CO -0.08 1.09 -1.33 0.59 -0.53 0.00 0.00 176.83 176.58 1i5h n ASN 456 N -3.79 -3.40 -3.10 6.23 5.03 -1.26 -5.02 115.26 109.95 1i5h n ASN 456 Ca -0.05 1.35 -0.20 0.00 0.87 0.00 0.00 54.58 56.55 1i5h n ASN 456 Cb 0.75 -5.06 -0.04 0.00 -1.02 0.00 0.00 39.78 34.41 1i5h n ASN 456 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1i5h n ASP 457 N 1.41 -0.37 0.22 6.41 2.03 -1.26 -4.95 116.55 120.03 1i5h n ASP 457 Ca -0.26 -2.86 0.05 0.00 0.52 0.00 0.00 54.79 52.24 1i5h n ASP 457 Cb 0.41 -0.13 0.48 0.00 -0.72 0.00 0.00 41.12 41.16 1i5h n ASP 457 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i5h h LEU 458 N 3.87 0.00 0.00 -2.67 3.38 -1.94 -3.48 115.31 114.46 1i5h h LEU 458 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i5h h LEU 458 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1i5h h LEU 458 CO 0.43 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.80 1i5h n GLY 459 N -0.83 1.28 3.48 0.83 0.00 -1.26 -4.44 105.19 104.25 1i5h n GLY 459 Ca -0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 12.65 0.90 -1.38 1.61 -0.04 -1.26 -4.76 135.00 142.73 1i5h n PRO 460 Ca 0.00 -1.90 0.14 0.00 -0.04 0.00 0.00 63.50 61.69 1i5h n PRO 460 Cb 0.00 -3.44 -0.08 0.00 -0.04 0.00 0.00 33.50 29.94 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 13.82 -1.00 -4.54 1.53 4.32 -1.26 -4.91 117.00 124.96 1i5h n LEU 461 Ca 0.45 2.22 -0.30 0.00 -0.02 0.00 0.00 56.01 58.36 1i5h n LEU 461 Cb 0.45 -2.93 0.25 0.00 -1.62 0.00 0.00 43.42 39.57 1i5h n LEU 461 CO 0.81 -1.76 0.58 -2.84 -1.22 0.00 0.00 177.39 172.96 1i5h s PRO 462 N -4.55 -1.52 0.16 3.23 0.02 -1.26 -4.91 135.00 126.17 1i5h s PRO 462 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 61.00 60.72 1i5h s PRO 462 Cb 0.00 -1.55 -0.08 0.00 0.02 0.00 0.00 34.50 32.88 1i5h s PRO 462 CO 0.00 -3.92 1.36 -1.25 -0.33 0.00 0.00 177.00 172.86 1i5h s PRO 463 N -5.30 4.34 0.00 5.54 0.04 -1.26 -2.49 135.00 135.87 1i5h s PRO 463 Ca 0.70 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1i5h s PRO 463 Cb -0.11 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1i5h s PRO 463 CO 0.57 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.66 1i5h n GLY 464 N 2.92 2.22 3.94 0.56 0.00 -1.26 -4.85 105.19 108.72 1i5h n GLY 464 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.87 3.23 0.35 1.61 0.52 -1.04 0.10 118.94 120.84 1i5h s TRP 465 Ca 0.00 0.34 -0.02 0.00 0.02 0.00 0.00 56.10 56.43 1i5h s TRP 465 Cb 0.00 -2.43 0.01 0.00 -1.15 0.00 0.00 33.47 29.90 1i5h s TRP 465 CO 0.00 -0.48 0.51 0.39 0.02 0.00 0.00 176.95 177.38 1i5h n GLU 466 N -2.21 0.73 -3.74 4.98 4.71 0.87 -4.85 120.64 121.13 1i5h n GLU 466 Ca 0.02 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.16 54.10 1i5h n GLU 466 Cb 0.58 2.71 -0.15 0.00 -1.01 0.00 0.00 31.44 33.57 1i5h n GLU 466 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1i5h s GLU 467 N -2.77 0.73 -0.04 3.49 -1.05 -1.26 -2.72 118.70 115.08 1i5h s GLU 467 Ca 0.29 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1i5h s GLU 467 Cb -0.01 -2.02 -0.03 0.00 -0.44 0.00 0.00 34.13 31.63 1i5h s GLU 467 CO 0.20 -0.89 -0.02 1.03 0.95 0.00 0.00 175.26 176.54 1i5h s ARG 468 N 1.68 2.83 -0.08 -4.83 1.81 -1.07 -4.95 118.95 114.33 1i5h s ARG 468 Ca 0.06 -0.53 -0.28 0.00 -1.72 0.00 0.00 55.73 53.26 1i5h s ARG 468 Cb -0.17 -2.68 -0.02 0.00 -0.45 0.00 0.00 34.95 31.62 1i5h s ARG 468 CO -0.21 0.66 0.91 0.95 -0.68 0.00 0.00 175.30 176.93 1i5h s THR 469 N -0.95 4.87 0.69 0.02 -4.23 -1.26 -0.91 115.64 113.87 1i5h s THR 469 Ca 0.16 1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 62.42 1i5h s THR 469 Cb -0.11 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.50 1i5h s THR 469 CO 0.05 0.10 1.07 -2.28 -0.54 0.00 0.00 174.62 173.02 1i5h s HIS 470 N 1.54 3.31 0.63 3.99 2.46 -0.39 -4.90 115.29 121.94 1i5h s HIS 470 Ca 0.46 1.22 0.34 0.00 0.47 0.00 0.00 55.06 57.55 1i5h s HIS 470 Cb -0.19 -2.92 1.90 0.00 -0.13 0.00 0.00 32.58 31.24 1i5h s HIS 470 CO 0.20 -1.11 2.14 1.15 -2.47 0.00 0.00 174.74 174.65 1i5h h THR 471 N -0.62 0.21 0.00 0.89 2.02 -1.97 0.23 112.91 113.68 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 1.22 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1i5h h THR 471 CO 0.61 0.00 -0.58 0.47 0.37 0.00 0.00 175.52 176.39 1i5h n ASP 472 N -3.35 0.62 0.00 4.18 9.92 -1.26 -4.94 116.55 121.72 1i5h n ASP 472 Ca -0.01 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1i5h n ASP 472 Cb 0.26 0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1i5h n ASP 472 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i5h n GLY 473 N 1.38 2.64 3.66 0.44 0.00 0.82 -5.06 105.19 109.07 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 4.26 -0.41 1.61 0.52 -1.26 -4.56 118.95 118.58 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 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.81 1i5h s ARG 474 CO 0.00 -0.63 1.19 0.54 0.02 0.00 0.00 175.30 176.42 1i5h s VAL 475 N 3.19 4.21 0.76 3.52 0.11 -1.26 -1.26 120.40 129.66 1i5h s VAL 475 Ca 0.50 1.29 -0.05 0.00 -2.93 0.00 0.00 61.98 60.79 1i5h s VAL 475 Cb -0.19 -4.44 0.13 0.00 -1.53 0.00 0.00 36.38 30.35 1i5h s VAL 475 CO 0.11 -0.79 1.05 0.72 -3.33 0.00 0.00 175.10 172.87 1i5h s PHE 476 N 4.45 1.83 0.08 1.54 -0.12 -0.09 -4.86 117.98 120.81 1i5h s PHE 476 Ca 0.51 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.37 1i5h s PHE 476 Cb -0.10 -3.24 -0.04 0.00 -0.63 0.00 0.00 43.02 39.01 1i5h s PHE 476 CO 0.27 -1.81 0.05 -0.06 -0.05 0.00 0.00 175.22 173.62 1i5h s PHE 477 N -3.29 3.13 -0.14 3.49 0.40 -1.06 -2.60 117.98 117.92 1i5h s PHE 477 Ca 0.67 0.05 -0.06 0.00 -0.60 0.00 0.00 56.93 56.98 1i5h s PHE 477 Cb -0.06 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 41.93 1i5h s PHE 477 CO 0.46 0.51 0.31 -1.50 0.70 0.00 0.00 175.22 175.70 1i5h s ILE 478 N -1.34 -0.19 0.21 0.64 2.07 -1.10 -1.39 121.20 120.08 1i5h s ILE 478 Ca 0.28 0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.67 1i5h s ILE 478 Cb -0.12 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 1i5h s ILE 478 CO 0.20 0.07 0.41 0.54 -1.91 0.00 0.00 174.94 174.25 1i5h s ASN 479 N 1.73 6.41 -0.03 4.50 4.22 0.77 -0.09 114.94 132.45 1i5h s ASN 479 Ca -0.06 0.47 0.20 0.00 -2.14 0.00 0.00 52.86 51.33 1i5h s ASN 479 Cb -0.10 -2.04 -0.31 0.00 1.28 0.00 0.00 41.25 40.08 1i5h s ASN 479 CO -0.10 -0.05 0.48 1.41 -2.04 0.00 0.00 177.10 176.80 1i5h n HIS 480 N -0.61 0.00 -0.15 1.54 8.25 0.28 -2.13 115.22 122.40 1i5h n HIS 480 Ca -0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.37 1i5h n HIS 480 Cb 0.54 -0.42 0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.81 0.00 0.41 2.35 -1.91 -3.01 115.58 112.61 1i5h h ASN 481 Ca 0.00 0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1i5h h ASN 481 Cb 0.89 0.43 -0.09 0.00 0.05 0.00 0.00 38.32 39.60 1i5h h ASN 481 CO 0.00 -0.26 -0.52 2.30 -1.65 0.00 0.00 177.43 177.30 1i5h n ILE 482 N -5.41 1.43 -3.49 2.81 -5.35 -1.26 -5.04 119.36 103.05 1i5h n ILE 482 Ca 0.03 -2.22 -0.35 0.00 -0.27 0.00 0.00 62.75 59.95 1i5h n ILE 482 Cb 0.32 0.11 0.03 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.71 -1.92 -3.92 6.28 4.01 -1.14 -5.00 118.16 115.77 1i5h n LYS 483 Ca 0.14 1.40 -0.09 0.00 -0.51 0.00 0.00 58.31 59.24 1i5h n LYS 483 Cb 0.78 -2.37 -0.06 0.00 -0.51 0.00 0.00 35.03 32.87 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 -2.77 1.28 0.20 1.97 2.47 -0.91 -5.02 119.74 116.97 1i5h s LYS 484 Ca 0.33 -1.12 -0.04 0.00 -1.56 0.00 0.00 55.97 53.57 1i5h s LYS 484 Cb -0.04 0.43 -0.03 0.00 -1.46 0.00 0.00 37.83 36.73 1i5h s LYS 484 CO 0.87 -0.50 0.21 -0.08 0.16 0.00 0.00 175.35 176.01 1i5h s THR 485 N -3.96 0.02 0.00 3.43 -1.32 -1.26 -0.16 115.64 112.39 1i5h s THR 485 Ca 0.16 -1.80 -0.27 0.00 -1.21 0.00 0.00 61.69 58.57 1i5h s THR 485 Cb 0.02 -2.31 0.06 0.00 -1.51 0.00 0.00 72.50 68.76 1i5h s THR 485 CO 0.01 -0.09 0.62 0.00 -2.21 0.00 0.00 174.62 172.95 1i5h s GLN 486 N -4.10 1.06 0.00 7.08 -2.07 -0.49 -4.98 119.66 116.17 1i5h s GLN 486 Ca 0.31 0.03 -0.22 0.00 -1.82 0.00 0.00 55.36 53.67 1i5h s GLN 486 Cb 0.05 0.50 -0.19 0.00 -1.09 0.00 0.00 33.01 32.27 1i5h s GLN 486 CO 0.09 -0.36 1.19 -1.49 -1.32 0.00 0.00 175.29 173.40 1i5h h TRP 487 N 2.86 0.40 -2.88 9.60 -0.00 -1.98 -2.81 115.95 121.15 1i5h h TRP 487 Ca -0.29 -0.17 -0.34 0.00 -0.00 0.00 0.00 58.89 58.09 1i5h h TRP 487 Cb 1.18 -0.07 0.20 0.00 -0.00 0.00 0.00 29.16 30.47 1i5h h TRP 487 CO 0.36 0.89 -0.10 -1.91 -0.00 0.00 0.00 178.44 177.67 1i5h n GLU 488 N -4.48 -4.33 -3.91 0.49 4.07 -1.26 -4.68 120.64 106.54 1i5h n GLU 488 Ca -0.08 -1.41 -0.35 0.00 -0.06 0.00 0.00 57.16 55.26 1i5h n GLU 488 Cb 0.47 -1.70 -0.13 0.00 -0.06 0.00 0.00 31.44 30.01 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 -3.28 4.73 0.04 4.31 1.01 -1.26 -4.52 116.67 117.69 1i5h s ASP 489 Ca 0.63 -0.27 -0.14 0.00 0.71 0.00 0.00 52.55 53.47 1i5h s ASP 489 Cb -0.10 -1.82 -0.33 0.00 1.01 0.00 0.00 42.92 41.68 1i5h s ASP 489 CO 0.52 0.00 1.05 1.55 0.21 0.00 0.00 175.17 178.49 1i5h h PRO 490 N 7.96 0.53 0.00 8.23 0.13 -1.95 -3.12 132.00 143.78 1i5h h PRO 490 Ca -0.39 -0.85 0.00 0.00 -0.87 0.00 0.00 66.00 63.89 1i5h h PRO 490 Cb 1.17 0.31 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1i5h h PRO 490 CO 0.60 1.40 0.00 0.07 -0.23 0.00 0.00 178.00 179.84 1i5h h ARG 491 N 0.17 0.00 0.18 0.86 0.11 -2.00 -3.18 114.38 110.52 1i5h h ARG 491 Ca -0.23 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.52 1i5h h ARG 491 Cb 2.09 0.00 0.01 0.00 1.11 0.00 0.00 29.97 33.18 1i5h h ARG 491 CO 0.26 0.00 -1.63 1.98 0.10 0.00 0.00 179.97 180.68 1i5h h MET 492 N 0.00 0.39 -6.21 0.08 4.05 -1.98 -3.44 114.93 107.82 1i5h h MET 492 Ca 0.00 -0.67 -0.54 0.00 -0.28 0.00 0.00 59.70 58.22 1i5h h MET 492 Cb 0.60 0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 1i5h h MET 492 CO 0.00 1.30 1.25 -0.65 0.23 0.00 0.00 176.91 179.03 1i5h s GLN 493 N -2.59 3.07 0.28 0.39 -1.52 -1.18 -4.37 119.66 113.73 1i5h s GLN 493 Ca -0.12 0.83 0.00 0.00 -1.95 0.00 0.00 55.36 54.11 1i5h s GLN 493 Cb 0.05 -4.24 0.00 0.00 -0.22 0.00 0.00 33.01 28.60 1i5h s GLN 493 CO 0.87 -2.20 0.00 0.27 -0.25 0.00 0.00 175.29 173.98 1i5h n ASN 494 N 10.97 -2.50 -2.41 5.90 0.23 -1.26 -4.99 115.26 121.20 1i5h n ASN 494 Ca 0.19 0.60 -0.03 0.00 -0.53 0.00 0.00 54.58 54.81 1i5h n ASN 494 Cb 0.50 2.50 0.10 0.00 -2.08 0.00 0.00 39.78 40.79 1i5h n ASN 494 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1i5h n VAL 495 N -3.06 0.00 -2.95 3.53 3.14 -1.26 -5.08 118.33 112.65 1i5h n VAL 495 Ca 0.00 -0.85 -0.08 0.00 -2.96 0.00 0.00 64.34 60.45 1i5h n VAL 495 Cb 0.00 0.92 0.01 0.00 -1.06 0.00 0.00 33.84 33.71 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 -1.32 -1.94 -2.75 1.55 0.00 -1.26 -4.96 120.51 109.83 1i5h n ALA 496 Ca -0.19 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1i5h n ALA 496 Cb 0.85 -0.79 0.09 0.00 0.00 0.00 0.00 19.45 19.60 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 0.88 0.00 -4.58 0.00 -5.35 -1.26 -5.12 119.36 103.94 1i5h n ILE 497 Ca -0.02 -1.70 -0.33 0.00 -0.27 0.00 0.00 62.75 60.43 1i5h n ILE 497 Cb 0.48 1.30 -0.16 0.00 -1.74 0.00 0.00 39.64 39.52 1i5h n ILE 497 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1i5h s THR 498 N 0.06 2.13 0.00 7.28 2.01 -1.26 -5.13 115.64 120.72 1i5h s THR 498 Ca 0.23 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1i5h s THR 498 Cb 0.31 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1i5h s THR 498 CO -0.06 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.03