#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5h n SER 451 N 0.00 -1.12 -4.68 1.61 2.88 -1.26 -5.14 113.62 105.91 1i5h n SER 451 Ca 0.00 -1.61 -0.43 0.00 -1.33 0.00 0.00 58.87 55.50 1i5h n SER 451 Cb 0.00 0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1i5h n SER 451 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1i5h s PRO 452 N 0.04 4.34 -0.06 -1.46 0.04 -1.26 -4.97 135.00 131.67 1i5h s PRO 452 Ca 0.25 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1i5h s PRO 452 Cb 0.21 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1i5h s PRO 452 CO -0.07 -0.48 0.07 0.28 0.04 0.00 0.00 177.00 176.84 1i5h h VAL 453 N 5.16 0.00 0.00 -0.36 2.07 -2.08 -3.45 116.25 117.58 1i5h h VAL 453 Ca -0.31 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1i5h h VAL 453 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1i5h h VAL 453 CO 0.90 0.00 -0.75 -0.67 0.02 0.00 0.00 177.57 177.07 1i5h n ASP 454 N -3.90 2.76 0.00 0.57 -0.08 -1.26 -5.12 116.55 109.51 1i5h n ASP 454 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1i5h n ASP 454 Cb 0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.48 1i5h n ASP 454 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1i5h n SER 455 N -2.30 -0.17 -3.36 1.67 7.64 -1.26 -4.32 113.62 111.52 1i5h n SER 455 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1i5h n SER 455 Cb 0.37 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.49 1i5h n SER 455 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1i5h n ASN 456 N -3.94 2.20 -4.61 6.43 4.13 -1.26 -5.07 115.26 113.14 1i5h n ASN 456 Ca 0.00 -3.10 -0.43 0.00 1.68 0.00 0.00 54.58 52.73 1i5h n ASN 456 Cb 0.00 -0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 37.56 1i5h n ASN 456 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1i5h s ASP 457 N -1.83 6.33 -0.08 6.41 -1.08 -1.26 -4.85 116.67 120.31 1i5h s ASP 457 Ca 0.37 1.04 0.13 0.00 -0.52 0.00 0.00 52.55 53.57 1i5h s ASP 457 Cb 0.14 -2.54 -0.23 0.00 -1.46 0.00 0.00 42.92 38.83 1i5h s ASP 457 CO -0.07 -1.40 0.53 0.18 0.52 0.00 0.00 175.17 174.94 1i5h n LEU 458 N 8.81 0.76 0.00 -1.34 4.77 -1.26 -5.09 117.00 123.65 1i5h n LEU 458 Ca 0.17 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1i5h n LEU 458 Cb 0.47 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1i5h n LEU 458 CO 0.68 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1i5h n GLY 459 N 1.61 0.82 2.91 -0.72 0.00 -1.26 -4.76 105.19 103.79 1i5h n GLY 459 Ca -0.21 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 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 1.19 -1.42 1.61 -0.04 -1.26 -4.82 135.00 130.25 1i5h n PRO 460 Ca 0.00 -1.24 0.18 0.00 -0.04 0.00 0.00 63.50 62.40 1i5h n PRO 460 Cb 0.00 -2.44 -0.07 0.00 -0.04 0.00 0.00 33.50 30.96 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 5.63 -0.84 -4.60 1.53 4.77 -1.26 -4.90 117.00 117.33 1i5h n LEU 461 Ca 0.34 1.93 -0.30 0.00 -0.03 0.00 0.00 56.01 57.95 1i5h n LEU 461 Cb 0.19 -4.59 0.24 0.00 -2.33 0.00 0.00 43.42 36.92 1i5h n LEU 461 CO 0.78 -2.94 0.62 -2.84 -1.33 0.00 0.00 177.39 171.68 1i5h s PRO 462 N -3.25 -1.17 -0.10 3.23 0.02 -1.26 -4.94 135.00 127.52 1i5h s PRO 462 Ca 0.00 -0.05 -0.29 0.00 0.02 0.00 0.00 61.00 60.68 1i5h s PRO 462 Cb 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 34.50 32.88 1i5h s PRO 462 CO 0.00 -3.68 1.53 -2.14 -0.33 0.00 0.00 177.00 172.38 1i5h s PRO 463 N -5.39 4.16 0.00 5.54 0.02 -1.26 -3.04 135.00 135.04 1i5h s PRO 463 Ca 0.71 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1i5h s PRO 463 Cb -0.10 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.50 1i5h s PRO 463 CO 0.56 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 1i5h n GLY 464 N 4.02 0.88 3.15 0.52 0.00 -1.26 -4.90 105.19 107.61 1i5h n GLY 464 Ca 0.16 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.86 0.78 -0.05 1.61 0.52 -1.17 0.77 118.94 118.53 1i5h s TRP 465 Ca 0.00 -1.18 -0.17 0.00 0.02 0.00 0.00 56.10 54.77 1i5h s TRP 465 Cb 0.00 -0.44 0.03 0.00 -1.15 0.00 0.00 33.47 31.92 1i5h s TRP 465 CO 0.00 -0.51 0.39 -1.21 0.02 0.00 0.00 176.95 175.64 1i5h s GLU 466 N -4.02 0.69 -0.55 4.98 2.02 0.69 -4.87 118.70 117.64 1i5h s GLU 466 Ca 0.21 0.05 -0.18 0.00 0.02 0.00 0.00 54.97 55.07 1i5h s GLU 466 Cb 0.07 0.31 0.09 0.00 0.10 0.00 0.00 34.13 34.70 1i5h s GLU 466 CO -0.00 -0.18 0.63 -1.83 0.02 0.00 0.00 175.26 173.90 1i5h s GLU 467 N -0.95 3.06 -0.00 1.61 -1.05 -1.26 -2.02 118.70 118.09 1i5h s GLU 467 Ca -0.10 -1.21 -0.02 0.00 -0.15 0.00 0.00 54.97 53.49 1i5h s GLU 467 Cb -0.04 -4.20 -0.04 0.00 -0.44 0.00 0.00 34.13 29.41 1i5h s GLU 467 CO 0.04 -1.36 0.16 1.03 0.95 0.00 0.00 175.26 176.08 1i5h s ARG 468 N 2.47 3.34 -0.17 -4.83 1.81 -1.07 -4.95 118.95 115.55 1i5h s ARG 468 Ca 0.11 -0.37 -0.18 0.00 -1.72 0.00 0.00 55.73 53.57 1i5h s ARG 468 Cb -0.23 -3.03 -0.04 0.00 -0.45 0.00 0.00 34.95 31.20 1i5h s ARG 468 CO 0.08 0.66 0.49 0.95 -0.68 0.00 0.00 175.30 176.80 1i5h s THR 469 N -1.31 5.15 0.63 0.02 -4.23 -1.26 -0.45 115.64 114.19 1i5h s THR 469 Ca 0.27 0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 61.58 1i5h s THR 469 Cb -0.12 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1i5h s THR 469 CO 0.18 0.24 1.04 -2.28 -0.54 0.00 0.00 174.62 173.26 1i5h s HIS 470 N 1.23 3.40 0.65 3.99 2.46 -0.49 -4.91 115.29 121.62 1i5h s HIS 470 Ca 0.24 1.37 0.36 0.00 0.47 0.00 0.00 55.06 57.50 1i5h s HIS 470 Cb -0.15 -2.80 2.01 0.00 -0.13 0.00 0.00 32.58 31.51 1i5h s HIS 470 CO 0.10 -0.84 2.18 1.15 -2.47 0.00 0.00 174.74 174.85 1i5h h THR 471 N -0.22 0.12 0.00 0.89 2.02 -1.98 0.24 112.91 113.99 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 1.20 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1i5h h THR 471 CO 0.60 0.00 -0.57 0.47 0.37 0.00 0.00 175.52 176.39 1i5h n ASP 472 N -3.21 0.61 0.00 4.18 9.92 -1.26 -4.94 116.55 121.85 1i5h n ASP 472 Ca -0.02 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1i5h n ASP 472 Cb 0.22 0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 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 1.39 2.65 3.65 0.44 0.00 0.86 -5.06 105.19 109.11 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 4.18 -0.41 1.61 0.52 -1.26 -4.59 118.95 118.46 1i5h s ARG 474 Ca 0.00 1.38 -0.29 0.00 -0.52 0.00 0.00 55.73 56.30 1i5h s ARG 474 Cb 0.00 -3.72 0.02 0.00 0.52 0.00 0.00 34.95 31.77 1i5h s ARG 474 CO 0.00 -0.76 1.21 0.54 0.02 0.00 0.00 175.30 176.31 1i5h s VAL 475 N 3.51 4.19 0.29 3.52 0.11 -1.26 -1.40 120.40 129.35 1i5h s VAL 475 Ca 0.49 1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 60.78 1i5h s VAL 475 Cb -0.17 -4.43 0.06 0.00 -1.53 0.00 0.00 36.38 30.32 1i5h s VAL 475 CO 0.12 -0.79 0.39 2.22 -3.33 0.00 0.00 175.10 173.71 1i5h n PHE 476 N 7.84 -3.44 -4.36 1.54 -1.74 0.40 -4.85 117.46 112.86 1i5h n PHE 476 Ca 0.13 -0.57 -0.29 0.00 -0.56 0.00 0.00 57.45 56.16 1i5h n PHE 476 Cb 0.48 -0.29 -0.12 0.00 1.52 0.00 0.00 39.48 41.07 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 -1.26 2.47 -0.07 2.97 0.40 -1.08 -2.59 117.98 118.82 1i5h s PHE 477 Ca 0.25 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 1i5h s PHE 477 Cb -0.01 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1i5h s PHE 477 CO 0.17 0.36 0.18 -1.50 0.70 0.00 0.00 175.22 175.13 1i5h s ILE 478 N -1.10 -0.02 0.36 0.64 2.07 -0.85 -1.59 121.20 120.71 1i5h s ILE 478 Ca 0.17 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.49 1i5h s ILE 478 Cb -0.10 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 1i5h s ILE 478 CO 0.09 0.02 0.54 0.54 -1.91 0.00 0.00 174.94 174.22 1i5h s ASN 479 N 0.47 6.04 -0.12 4.50 4.22 -0.09 -0.22 114.94 129.74 1i5h s ASN 479 Ca -0.03 0.14 0.17 0.00 -2.14 0.00 0.00 52.86 51.00 1i5h s ASN 479 Cb -0.05 -1.59 0.26 0.00 1.28 0.00 0.00 41.25 41.15 1i5h s ASN 479 CO -0.02 -0.45 1.13 1.41 -2.04 0.00 0.00 177.10 177.13 1i5h n HIS 480 N -1.79 0.00 -0.08 1.54 8.25 0.23 -3.62 115.22 119.74 1i5h n HIS 480 Ca -0.02 -0.92 -0.23 0.00 -0.26 0.00 0.00 57.72 56.30 1i5h n HIS 480 Cb 0.57 -0.14 -0.12 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.31 1.94 -0.88 0.41 3.02 -1.26 -4.58 115.26 112.60 1i5h n ASN 481 Ca 0.14 0.33 0.05 0.00 -0.03 0.00 0.00 54.58 55.07 1i5h n ASN 481 Cb 0.62 -0.89 0.12 0.00 -0.61 0.00 0.00 39.78 39.01 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 -4.12 1.17 -3.39 2.41 -5.35 -1.26 -5.04 119.36 103.78 1i5h n ILE 482 Ca -0.36 -2.05 -0.33 0.00 -0.27 0.00 0.00 62.75 59.73 1i5h n ILE 482 Cb 0.81 0.29 0.03 0.00 -1.74 0.00 0.00 39.64 39.03 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 -0.45 -1.99 -3.96 6.28 4.01 -1.26 -5.01 118.16 115.78 1i5h n LYS 483 Ca 0.12 1.55 -0.09 0.00 -0.51 0.00 0.00 58.31 59.37 1i5h n LYS 483 Cb 0.86 -2.67 -0.06 0.00 -0.51 0.00 0.00 35.03 32.65 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 -2.45 1.41 0.18 1.97 2.20 -1.24 -5.04 119.74 116.77 1i5h s LYS 484 Ca 0.36 -1.19 -0.06 0.00 -0.36 0.00 0.00 55.97 54.71 1i5h s LYS 484 Cb -0.04 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1i5h s LYS 484 CO 0.84 -0.57 0.23 -0.08 -0.36 0.00 0.00 175.35 175.42 1i5h s THR 485 N -3.99 0.04 -0.10 3.43 -1.32 -1.26 -0.92 115.64 111.52 1i5h s THR 485 Ca 0.20 -1.65 -0.27 0.00 -1.21 0.00 0.00 61.69 58.76 1i5h s THR 485 Cb 0.01 -2.11 0.06 0.00 -1.51 0.00 0.00 72.50 68.95 1i5h s THR 485 CO 0.05 -0.20 0.63 0.00 -2.21 0.00 0.00 174.62 172.89 1i5h s GLN 486 N -4.04 0.94 0.12 7.08 -2.07 -0.62 -5.00 119.66 116.07 1i5h s GLN 486 Ca 0.25 0.39 -0.12 0.00 -1.82 0.00 0.00 55.36 54.07 1i5h s GLN 486 Cb 0.04 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.32 1i5h s GLN 486 CO 0.05 -0.25 1.41 -1.49 -1.32 0.00 0.00 175.29 173.69 1i5h h TRP 487 N 3.68 1.10 -3.16 9.60 -0.00 -1.99 -2.86 115.95 122.33 1i5h h TRP 487 Ca -0.28 -0.39 -0.41 0.00 -0.00 0.00 0.00 58.89 57.81 1i5h h TRP 487 Cb 1.15 -0.21 0.21 0.00 -0.00 0.00 0.00 29.16 30.31 1i5h h TRP 487 CO 0.40 1.22 -0.05 -1.21 -0.00 0.00 0.00 178.44 178.80 1i5h s GLU 488 N -4.15 -1.93 -0.35 0.49 2.02 -1.26 -4.63 118.70 108.89 1i5h s GLU 488 Ca -0.11 0.45 -0.08 0.00 0.02 0.00 0.00 54.97 55.25 1i5h s GLU 488 Cb 0.10 -1.47 0.04 0.00 0.10 0.00 0.00 34.13 32.90 1i5h s GLU 488 CO 0.89 -4.29 0.14 -0.51 0.02 0.00 0.00 175.26 171.51 1i5h s ASP 489 N -2.88 5.45 0.24 -0.19 1.11 -1.26 -4.44 116.67 114.70 1i5h s ASP 489 Ca 0.69 -1.12 -0.02 0.00 0.18 0.00 0.00 52.55 52.28 1i5h s ASP 489 Cb -0.19 -1.92 0.29 0.00 1.07 0.00 0.00 42.92 42.17 1i5h s ASP 489 CO 0.61 -0.35 1.68 1.55 1.18 0.00 0.00 175.17 179.84 1i5h h PRO 490 N 8.29 0.66 0.00 8.23 0.13 -1.94 -1.04 132.00 146.33 1i5h h PRO 490 Ca -0.24 -0.25 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1i5h h PRO 490 Cb 1.09 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1i5h h PRO 490 CO 0.63 0.83 -0.32 0.07 -0.23 0.00 0.00 178.00 178.97 1i5h h ARG 491 N 0.59 0.00 0.00 0.86 0.11 -2.00 -3.06 114.38 110.88 1i5h h ARG 491 Ca 0.09 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.02 1i5h h ARG 491 Cb 0.68 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.74 1i5h h ARG 491 CO 0.05 0.32 -1.06 1.98 0.10 0.00 0.00 179.97 181.36 1i5h h MET 492 N 0.00 0.00 -2.19 0.08 4.05 -1.88 -3.36 114.93 111.63 1i5h h MET 492 Ca -0.00 0.00 -0.80 0.00 -0.28 0.00 0.00 59.70 58.62 1i5h h MET 492 Cb 0.97 0.00 -0.27 0.00 -0.80 0.00 0.00 31.60 31.50 1i5h h MET 492 CO 0.04 0.42 1.06 0.94 0.23 0.00 0.00 176.91 179.61 1i5h n GLN 493 N -3.05 4.72 0.05 0.39 -0.06 -0.42 -4.72 117.38 114.29 1i5h n GLN 493 Ca -0.05 -4.34 -0.03 0.00 -2.00 0.00 0.00 57.00 50.58 1i5h n GLN 493 Cb 0.81 -2.42 -0.02 0.00 -4.06 0.00 0.00 30.24 24.56 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 3.89 -0.18 -5.75 1.69 2.35 -1.72 -3.48 115.58 112.38 1i5h h ASN 494 Ca 0.55 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 56.21 1i5h h ASN 494 Cb 0.24 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1i5h h ASN 494 CO 1.25 0.23 -0.90 0.52 -1.65 0.00 0.00 177.43 176.88 1i5h n VAL 495 N -4.56 -7.94 -3.41 2.81 0.31 -1.26 -5.04 118.33 99.24 1i5h n VAL 495 Ca -0.03 0.89 0.01 0.00 -0.01 0.00 0.00 64.34 65.21 1i5h n VAL 495 Cb 0.08 -5.50 -0.04 0.00 -0.91 0.00 0.00 33.84 27.47 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5h s ALA 496 N -1.77 -2.67 -0.99 3.52 0.00 -1.26 -5.00 121.76 113.60 1i5h s ALA 496 Ca 0.17 2.05 -0.03 0.00 0.00 0.00 0.00 51.96 54.14 1i5h s ALA 496 Cb -0.03 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1i5h s ALA 496 CO 0.65 -0.98 0.85 -0.89 0.00 0.00 0.00 175.76 175.39 1i5h n ILE 497 N 5.05 -7.24 -2.80 0.00 -0.00 -1.26 -4.96 119.36 108.15 1i5h n ILE 497 Ca -0.09 -0.93 -0.41 0.00 -0.00 0.00 0.00 62.75 61.32 1i5h n ILE 497 Cb 0.52 -5.64 -0.03 0.00 -0.00 0.00 0.00 39.64 34.49 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 -3.34 4.91 0.00 1.39 -4.23 -1.26 -5.23 115.64 107.88 1i5h s THR 498 Ca 0.26 1.90 0.00 0.00 -1.18 0.00 0.00 61.69 62.66 1i5h s THR 498 Cb -0.03 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.56 1i5h s THR 498 CO 0.66 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.52