#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 1.47 -0.65 1.61 0.01 -1.26 -5.04 113.70 109.84 1i5h s SER 451 Ca 0.00 -2.15 -0.14 0.00 1.31 0.00 0.00 55.95 54.96 1i5h s SER 451 Cb 0.00 0.17 -0.12 0.00 0.21 0.00 0.00 66.02 66.27 1i5h s SER 451 CO 0.00 -0.23 1.85 -0.81 0.41 0.00 0.00 173.24 174.46 1i5h n PRO 452 N 3.70 1.38 0.13 12.44 -0.04 -1.26 -4.50 135.00 146.85 1i5h n PRO 452 Ca 0.17 -1.46 0.02 0.00 -0.04 0.00 0.00 63.50 62.19 1i5h n PRO 452 Cb 0.45 -2.60 0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1i5h n PRO 452 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1i5h h VAL 453 N 4.10 0.96 -1.13 0.52 -1.51 -2.02 -3.39 116.25 113.79 1i5h h VAL 453 Ca 0.38 -2.32 -0.39 0.00 -1.23 0.00 0.00 66.70 63.14 1i5h h VAL 453 Cb 0.41 2.45 -0.29 0.00 -2.13 0.00 0.00 31.29 31.73 1i5h h VAL 453 CO 1.67 0.54 -0.85 -0.67 -1.23 0.00 0.00 177.57 177.03 1i5h n ASP 454 N -3.25 -0.84 0.19 4.19 -0.08 -1.26 -4.95 116.55 110.55 1i5h n ASP 454 Ca 0.02 -3.16 0.07 0.00 -1.51 0.00 0.00 54.79 50.21 1i5h n ASP 454 Cb 0.75 0.47 0.30 0.00 2.34 0.00 0.00 41.12 44.98 1i5h n ASP 454 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1i5h h SER 455 N 3.45 0.00 -3.46 1.67 4.64 -1.93 -3.43 113.55 114.48 1i5h h SER 455 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1i5h h SER 455 Cb 0.99 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.73 1i5h h SER 455 CO 0.37 0.32 -0.75 0.21 -0.87 0.00 0.00 176.83 176.11 1i5h s ASN 456 N -6.31 0.60 -0.31 4.97 3.84 -1.26 -5.13 114.94 111.33 1i5h s ASN 456 Ca 0.02 -0.03 -0.10 0.00 0.21 0.00 0.00 52.86 52.96 1i5h s ASN 456 Cb 0.09 -0.25 -0.01 0.00 -0.55 0.00 0.00 41.25 40.54 1i5h s ASN 456 CO 0.68 -0.12 0.15 -1.81 -2.79 0.00 0.00 177.10 173.22 1i5h s ASP 457 N 1.17 5.56 -0.22 -4.21 1.01 -1.26 -4.94 116.67 113.77 1i5h s ASP 457 Ca -0.08 -0.51 -0.11 0.00 0.71 0.00 0.00 52.55 52.57 1i5h s ASP 457 Cb -0.13 -2.00 -0.09 0.00 1.01 0.00 0.00 42.92 41.70 1i5h s ASP 457 CO -0.02 -0.19 -0.28 0.18 0.21 0.00 0.00 175.17 175.07 1i5h n LEU 458 N 4.98 1.53 0.00 1.23 4.77 -1.26 -5.08 117.00 123.17 1i5h n LEU 458 Ca -0.14 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i5h n LEU 458 Cb 0.49 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1i5h n LEU 458 CO 0.34 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1i5h n GLY 459 N 1.64 1.04 2.28 -0.72 0.00 -1.26 -4.68 105.19 103.48 1i5h n GLY 459 Ca -0.43 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 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 3.45 -1.30 1.61 -0.04 -1.26 -4.94 135.00 132.52 1i5h n PRO 460 Ca 0.00 -2.14 0.15 0.00 -0.04 0.00 0.00 63.50 61.48 1i5h n PRO 460 Cb 0.00 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 30.80 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 3.03 -0.77 -4.65 1.53 4.77 -1.26 -4.89 117.00 114.76 1i5h n LEU 461 Ca 0.69 1.78 -0.30 0.00 -0.03 0.00 0.00 56.01 58.15 1i5h n LEU 461 Cb 0.38 -3.77 0.23 0.00 -2.33 0.00 0.00 43.42 37.92 1i5h n LEU 461 CO 0.67 -2.29 0.66 -2.84 -1.33 0.00 0.00 177.39 172.26 1i5h s PRO 462 N -3.62 -0.81 0.17 3.23 0.02 -1.26 -4.92 135.00 127.81 1i5h s PRO 462 Ca 0.00 -0.07 -0.31 0.00 0.02 0.00 0.00 61.00 60.64 1i5h s PRO 462 Cb 0.00 -1.65 -0.09 0.00 0.02 0.00 0.00 34.50 32.79 1i5h s PRO 462 CO 0.00 -3.44 1.39 -1.25 -0.33 0.00 0.00 177.00 173.38 1i5h s PRO 463 N -5.44 4.32 0.00 5.54 0.04 -1.26 -2.40 135.00 135.79 1i5h s PRO 463 Ca 0.71 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1i5h s PRO 463 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1i5h s PRO 463 CO 0.56 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1i5h n GLY 464 N 2.95 2.18 3.94 0.56 0.00 -1.26 -4.88 105.19 108.69 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 -2.88 3.32 -0.14 1.61 0.52 -1.01 0.14 118.94 120.51 1i5h s TRP 465 Ca 0.00 0.39 -0.14 0.00 0.02 0.00 0.00 56.10 56.37 1i5h s TRP 465 Cb 0.00 -2.30 0.04 0.00 -1.15 0.00 0.00 33.47 30.06 1i5h s TRP 465 CO 0.00 -0.33 0.39 -1.21 0.02 0.00 0.00 176.95 175.82 1i5h s GLU 466 N -4.60 0.47 -0.56 4.98 0.41 0.10 -4.85 118.70 114.66 1i5h s GLU 466 Ca 0.47 0.49 -0.20 0.00 -0.41 0.00 0.00 54.97 55.33 1i5h s GLU 466 Cb -0.10 0.23 0.08 0.00 -1.78 0.00 0.00 34.13 32.56 1i5h s GLU 466 CO 0.40 -0.06 0.70 -1.83 -0.49 0.00 0.00 175.26 173.98 1i5h s GLU 467 N 0.10 3.09 -0.02 1.61 -1.05 -1.26 -1.93 118.70 119.24 1i5h s GLU 467 Ca -0.01 -1.06 0.01 0.00 -0.15 0.00 0.00 54.97 53.77 1i5h s GLU 467 Cb -0.03 -4.18 -0.03 0.00 -0.44 0.00 0.00 34.13 29.44 1i5h s GLU 467 CO 0.01 -1.43 -0.02 1.03 0.95 0.00 0.00 175.26 175.80 1i5h s ARG 468 N 2.84 2.76 -0.04 -4.83 1.81 -0.95 -4.95 118.95 115.59 1i5h s ARG 468 Ca 0.15 -0.60 -0.27 0.00 -1.72 0.00 0.00 55.73 53.29 1i5h s ARG 468 Cb -0.21 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 1i5h s ARG 468 CO 0.09 0.64 0.87 -0.08 -0.68 0.00 0.00 175.30 176.14 1i5h s THR 469 N -1.01 4.93 0.70 0.02 -1.32 -1.26 -0.30 115.64 117.40 1i5h s THR 469 Ca 0.17 1.80 -0.11 0.00 -1.21 0.00 0.00 61.69 62.34 1i5h s THR 469 Cb -0.11 -4.20 0.01 0.00 -1.51 0.00 0.00 72.50 66.69 1i5h s THR 469 CO 0.08 0.17 1.07 -2.28 -2.21 0.00 0.00 174.62 171.45 1i5h s HIS 470 N 1.08 3.24 0.62 9.09 2.46 0.45 -4.88 115.29 127.35 1i5h s HIS 470 Ca 0.45 1.20 0.32 0.00 0.47 0.00 0.00 55.06 57.51 1i5h s HIS 470 Cb -0.19 -2.96 1.82 0.00 -0.13 0.00 0.00 32.58 31.11 1i5h s HIS 470 CO 0.23 -1.21 2.14 1.15 -2.47 0.00 0.00 174.74 174.57 1i5h h THR 471 N -0.69 0.31 0.00 0.89 2.02 -1.97 0.28 112.91 113.75 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 1.23 0.85 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 -3.52 0.54 0.00 4.18 8.00 -1.26 -4.94 116.55 119.55 1i5h n ASP 472 Ca -0.00 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1i5h n ASP 472 Cb 0.27 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.44 2.53 3.67 0.44 0.00 0.98 -5.07 105.19 109.19 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 -0.53 4.30 -0.42 1.61 0.52 -1.26 -4.49 118.95 118.67 1i5h s ARG 474 Ca 0.00 1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 56.46 1i5h s ARG 474 Cb 0.00 -3.65 0.02 0.00 0.52 0.00 0.00 34.95 31.84 1i5h s ARG 474 CO 0.00 -0.57 1.19 0.54 0.02 0.00 0.00 175.30 176.48 1i5h s VAL 475 N 2.90 4.20 0.70 3.52 0.11 -1.26 -0.41 120.40 130.16 1i5h s VAL 475 Ca 0.51 1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 60.81 1i5h s VAL 475 Cb -0.20 -4.47 0.10 0.00 -1.53 0.00 0.00 36.38 30.28 1i5h s VAL 475 CO 0.14 -0.83 0.97 0.72 -3.33 0.00 0.00 175.10 172.77 1i5h s PHE 476 N 4.47 2.09 0.03 1.54 -0.12 0.58 -4.83 117.98 121.74 1i5h s PHE 476 Ca 0.50 -0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 1i5h s PHE 476 Cb -0.10 -3.06 -0.04 0.00 -0.63 0.00 0.00 43.02 39.19 1i5h s PHE 476 CO 0.28 -1.55 0.03 -0.06 -0.05 0.00 0.00 175.22 173.88 1i5h s PHE 477 N -3.13 3.13 -0.13 3.49 0.40 -1.08 -2.24 117.98 118.42 1i5h s PHE 477 Ca 0.64 0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 57.00 1i5h s PHE 477 Cb -0.07 -1.65 0.06 0.00 0.51 0.00 0.00 43.02 41.87 1i5h s PHE 477 CO 0.44 0.50 0.30 -1.50 0.70 0.00 0.00 175.22 175.65 1i5h s ILE 478 N -1.21 -0.23 0.15 0.64 2.07 -0.81 -1.14 121.20 120.67 1i5h s ILE 478 Ca 0.23 0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.60 1i5h s ILE 478 Cb -0.12 -0.47 -0.06 0.00 0.13 0.00 0.00 42.46 41.94 1i5h s ILE 478 CO 0.15 0.08 0.41 0.54 -1.91 0.00 0.00 174.94 174.20 1i5h s ASN 479 N 1.83 6.52 0.01 4.50 4.22 -0.95 0.01 114.94 131.09 1i5h s ASN 479 Ca -0.05 0.66 0.22 0.00 -2.14 0.00 0.00 52.86 51.55 1i5h s ASN 479 Cb -0.11 -2.12 -0.18 0.00 1.28 0.00 0.00 41.25 40.13 1i5h s ASN 479 CO -0.10 0.04 0.80 1.41 -2.04 0.00 0.00 177.10 177.22 1i5h n HIS 480 N 0.11 0.09 -0.15 1.54 8.25 0.37 -2.45 115.22 122.99 1i5h n HIS 480 Ca -0.02 0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1i5h n HIS 480 Cb 0.52 -0.31 0.05 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.18 0.00 0.41 2.35 -1.92 -3.22 115.58 113.02 1i5h h ASN 481 Ca 0.00 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1i5h h ASN 481 Cb 0.74 0.19 -0.15 0.00 0.05 0.00 0.00 38.32 39.15 1i5h h ASN 481 CO 0.00 -0.05 -0.64 2.30 -1.65 0.00 0.00 177.43 177.38 1i5h n ILE 482 N -5.21 0.60 -3.49 2.81 -5.35 -1.26 -5.05 119.36 102.40 1i5h n ILE 482 Ca 0.05 -1.19 -0.37 0.00 -0.27 0.00 0.00 62.75 60.96 1i5h n ILE 482 Cb 0.25 0.48 0.04 0.00 -1.74 0.00 0.00 39.64 38.67 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 -1.94 -3.66 6.28 4.01 -1.14 -5.00 118.16 116.54 1i5h n LYS 483 Ca 0.07 1.43 -0.09 0.00 -0.51 0.00 0.00 58.31 59.22 1i5h n LYS 483 Cb 0.86 -2.27 -0.10 0.00 -0.51 0.00 0.00 35.03 33.02 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 -2.60 0.32 0.35 1.97 2.20 -1.03 -5.00 119.74 115.95 1i5h s LYS 484 Ca 0.36 1.01 0.06 0.00 -0.36 0.00 0.00 55.97 57.03 1i5h s LYS 484 Cb -0.04 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1i5h s LYS 484 CO 0.87 -0.25 0.49 -0.08 -0.36 0.00 0.00 175.35 176.03 1i5h s THR 485 N 2.53 4.13 -0.03 3.43 -1.32 -1.26 -2.23 115.64 120.88 1i5h s THR 485 Ca -0.02 -0.92 -0.29 0.00 -1.21 0.00 0.00 61.69 59.25 1i5h s THR 485 Cb -0.12 -3.45 0.06 0.00 -1.51 0.00 0.00 72.50 67.49 1i5h s THR 485 CO -0.13 -0.19 0.64 0.00 -2.21 0.00 0.00 174.62 172.73 1i5h s GLN 486 N -4.22 1.03 0.04 7.08 -2.07 -0.29 -4.98 119.66 116.25 1i5h s GLN 486 Ca 0.45 0.16 -0.18 0.00 -1.82 0.00 0.00 55.36 53.97 1i5h s GLN 486 Cb -0.10 0.48 -0.16 0.00 -1.09 0.00 0.00 33.01 32.14 1i5h s GLN 486 CO 0.32 -0.33 1.26 -1.49 -1.32 0.00 0.00 175.29 173.73 1i5h h TRP 487 N 3.03 0.65 -4.16 9.60 -0.00 -1.98 -2.85 115.95 120.24 1i5h h TRP 487 Ca -0.28 -0.26 -0.51 0.00 -0.00 0.00 0.00 58.89 57.84 1i5h h TRP 487 Cb 1.15 -0.11 0.19 0.00 -0.00 0.00 0.00 29.16 30.39 1i5h h TRP 487 CO 0.39 1.01 0.21 -2.00 -0.00 0.00 0.00 178.44 178.05 1i5h s GLU 488 N -3.84 0.96 -0.43 0.49 2.12 -1.26 -4.70 118.70 112.04 1i5h s GLU 488 Ca -0.13 1.40 -0.20 0.00 0.36 0.00 0.00 54.97 56.39 1i5h s GLU 488 Cb 0.06 -1.73 0.02 0.00 0.26 0.00 0.00 34.13 32.74 1i5h s GLU 488 CO 0.81 -2.62 0.63 -0.51 -0.54 0.00 0.00 175.26 173.03 1i5h s ASP 489 N -2.77 6.33 0.28 -1.70 1.11 -1.26 -4.67 116.67 113.98 1i5h s ASP 489 Ca 0.66 -0.31 0.08 0.00 0.18 0.00 0.00 52.55 53.16 1i5h s ASP 489 Cb -0.22 -2.31 0.39 0.00 1.07 0.00 0.00 42.92 41.84 1i5h s ASP 489 CO 0.58 -0.75 1.64 1.55 1.18 0.00 0.00 175.17 179.38 1i5h h PRO 490 N 8.83 0.13 0.00 8.23 0.13 -1.94 -2.83 132.00 144.56 1i5h h PRO 490 Ca -0.26 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i5h h PRO 490 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i5h h PRO 490 CO 0.88 0.64 0.00 2.89 -0.23 0.00 0.00 178.00 182.18 1i5h n ARG 491 N -3.91 0.19 0.06 0.86 1.85 -1.26 -2.91 116.66 111.54 1i5h n ARG 491 Ca -0.02 0.32 -0.13 0.00 -1.00 0.00 0.00 57.85 57.02 1i5h n ARG 491 Cb 0.56 -1.80 -0.14 0.00 -1.05 0.00 0.00 32.46 30.03 1i5h n ARG 491 CO 0.00 0.00 0.00 1.98 -0.01 0.00 0.00 177.63 179.60 1i5h h MET 492 N 0.00 0.15 0.25 2.89 4.05 -1.89 -3.37 114.93 117.00 1i5h h MET 492 Ca 0.00 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.15 1i5h h MET 492 Cb 0.49 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1i5h h MET 492 CO 0.00 1.01 -0.12 1.96 0.23 0.00 0.00 176.91 179.99 1i5h h GLN 493 N 0.04 -0.32 0.00 0.39 1.08 -1.56 -3.46 115.11 111.28 1i5h h GLN 493 Ca -0.17 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1i5h h GLN 493 Cb 1.94 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1i5h h GLN 493 CO 0.15 -0.01 0.00 0.09 -0.95 0.00 0.00 178.83 178.11 1i5h n ASN 494 N -5.00 0.00 -2.83 1.46 3.02 -1.15 -4.80 115.26 105.97 1i5h n ASN 494 Ca -0.07 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.43 1i5h n ASN 494 Cb 0.24 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1i5h n ASN 494 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1i5h n VAL 495 N 0.00-10.88 -1.36 2.41 0.31 -1.26 -4.98 118.33 102.57 1i5h n VAL 495 Ca 0.00 1.34 -0.30 0.00 -0.01 0.00 0.00 64.34 65.37 1i5h n VAL 495 Cb 0.00 -6.76 0.12 0.00 -0.91 0.00 0.00 33.84 26.28 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 -1.99 1.87 -0.11 3.52 0.00 -1.26 -4.97 121.76 118.81 1i5h s ALA 496 Ca 0.12 -0.12 0.14 0.00 0.00 0.00 0.00 51.96 52.10 1i5h s ALA 496 Cb -0.03 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1i5h s ALA 496 CO 0.75 -2.07 1.30 -0.84 0.00 0.00 0.00 175.76 174.90 1i5h h ILE 497 N -1.34 0.91 -3.11 0.00 3.07 -2.05 -3.45 117.51 111.55 1i5h h ILE 497 Ca -0.48 -2.34 -0.67 0.00 1.55 0.00 0.00 64.86 62.92 1i5h h ILE 497 Cb 1.28 2.41 -0.11 0.00 -0.27 0.00 0.00 36.82 40.12 1i5h h ILE 497 CO 0.57 0.52 -0.58 0.42 -1.05 0.00 0.00 178.15 178.03 1i5h s THR 498 N -2.92 4.69 0.00 0.16 -4.23 -1.26 -5.37 115.64 106.71 1i5h s THR 498 Ca 0.02 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1i5h s THR 498 Cb 0.08 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1i5h s THR 498 CO 0.77 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.94