#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzx n PRO 502 N 0.00 1.79 0.31 -0.14 -0.04 -1.26 -4.86 135.00 130.80 1bzx n PRO 502 Ca 0.00 0.64 0.17 0.00 -0.04 0.00 0.00 63.50 64.27 1bzx n PRO 502 Cb 0.00 -2.28 1.00 0.00 -0.04 0.00 0.00 33.50 32.18 1bzx n PRO 502 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1bzx h ASP 503 N 2.01 0.00 0.36 3.54 3.32 -2.03 -1.14 116.42 122.47 1bzx h ASP 503 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1bzx h ASP 503 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1bzx h ASP 503 CO 0.59 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 180.33 1bzx n PHE 504 N -3.65 0.00 0.84 4.55 1.16 -1.26 -1.68 117.46 117.42 1bzx n PHE 504 Ca -0.03 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.66 1bzx n PHE 504 Cb 0.08 -0.46 0.51 0.00 -1.61 0.00 0.00 39.48 38.00 1bzx n PHE 504 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bzx n LEU 506 N -1.47 1.79 -4.80 0.00 4.32 -0.68 -4.42 117.00 111.73 1bzx n LEU 506 Ca 0.06 -0.69 -0.35 0.00 -0.02 0.00 0.00 56.01 55.01 1bzx n LEU 506 Cb 0.26 -0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.99 1bzx n LEU 506 CO 0.21 0.35 0.66 -1.83 -1.22 0.00 0.00 177.39 175.56 1bzx s GLU 507 N -2.60 4.38 0.70 3.23 -1.05 -1.17 -4.93 118.70 117.25 1bzx s GLU 507 Ca 0.16 1.24 -0.15 0.00 -0.15 0.00 0.00 54.97 56.07 1bzx s GLU 507 Cb 0.18 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 31.41 1bzx s GLU 507 CO 0.64 0.10 1.15 -2.14 0.95 0.00 0.00 175.26 175.96 1bzx s PRO 508 N -2.63 2.46 0.43 -4.83 0.02 -1.26 -4.91 135.00 124.28 1bzx s PRO 508 Ca 0.56 1.56 -0.24 0.00 0.02 0.00 0.00 61.00 62.90 1bzx s PRO 508 Cb -0.14 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 1bzx s PRO 508 CO 0.19 -1.54 1.20 -1.25 -0.33 0.00 0.00 177.00 175.26 1bzx s PRO 509 N -4.02 3.86 -0.24 5.54 0.04 -1.26 -4.94 135.00 133.98 1bzx s PRO 509 Ca 0.70 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.64 1bzx s PRO 509 Cb -0.24 -2.55 0.05 0.00 0.04 0.00 0.00 34.50 31.79 1bzx s PRO 509 CO 0.43 -0.49 -0.12 -0.47 0.04 0.00 0.00 177.00 176.39 1bzx s TYR 510 N -1.44 3.12 0.19 0.56 5.04 -1.26 -5.00 117.35 118.57 1bzx s TYR 510 Ca 0.61 -2.06 -0.07 0.00 -2.44 0.00 0.00 57.07 53.11 1bzx s TYR 510 Cb -0.32 -1.95 0.12 0.00 0.35 0.00 0.00 41.96 40.16 1bzx s TYR 510 CO 0.39 -0.84 1.62 1.15 -1.34 0.00 0.00 175.55 176.53 1bzx h THR 511 N 6.48 1.27 0.00 4.34 2.02 -1.96 -3.44 112.91 121.62 1bzx h THR 511 Ca -0.27 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1bzx h THR 511 Cb 1.07 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1bzx h THR 511 CO 0.52 0.44 0.00 0.61 0.37 0.00 0.00 175.52 177.46 1bzx n GLY 512 N -0.29 -0.86 0.13 2.16 0.00 -1.26 -0.14 105.19 104.93 1bzx n GLY 512 Ca 0.01 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.36 1bzx n GLY 512 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bzx h PRO 513 N 0.00 0.00 -7.25 1.61 0.13 -1.93 -3.44 132.00 121.12 1bzx h PRO 513 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1bzx h PRO 513 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 1bzx h PRO 513 CO 0.00 0.60 0.32 0.00 -0.23 0.00 0.00 178.00 178.69 1bzx n LYS 515 N -3.37 2.43 -1.99 0.00 5.02 -1.22 -4.39 118.16 114.64 1bzx n LYS 515 Ca 0.11 -3.40 -0.28 0.00 -2.02 0.00 0.00 58.31 52.72 1bzx n LYS 515 Cb 0.52 -2.06 0.11 0.00 -0.02 0.00 0.00 35.03 33.58 1bzx n LYS 515 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bzx s ALA 516 N -3.45 2.68 -0.58 7.82 0.00 -0.39 -5.04 121.76 122.79 1bzx s ALA 516 Ca 0.52 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1bzx s ALA 516 Cb 0.44 -2.81 0.16 0.00 0.00 0.00 0.00 23.12 20.91 1bzx s ALA 516 CO 0.02 -1.79 0.40 0.50 0.00 0.00 0.00 175.76 174.88 1bzx s ARG 517 N -5.58 1.92 -0.28 0.00 3.52 -1.26 -4.30 118.95 112.97 1bzx s ARG 517 Ca 0.65 -2.81 -0.07 0.00 -0.13 0.00 0.00 55.73 53.37 1bzx s ARG 517 Cb -0.09 -2.86 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1bzx s ARG 517 CO 0.49 -1.26 0.07 0.42 -0.81 0.00 0.00 175.30 174.21 1bzx s ILE 518 N -0.74 4.05 -0.16 4.11 1.01 -0.84 -4.95 121.20 123.67 1bzx s ILE 518 Ca 0.24 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1bzx s ILE 518 Cb -0.09 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1bzx s ILE 518 CO -0.13 0.18 1.21 -0.63 0.00 0.00 0.00 174.94 175.57 1bzx s ILE 519 N 1.54 4.36 0.33 2.92 -1.09 -1.26 -0.54 121.20 127.45 1bzx s ILE 519 Ca 0.04 1.65 0.03 0.00 -2.23 0.00 0.00 60.65 60.14 1bzx s ILE 519 Cb -0.16 -4.06 -0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1bzx s ILE 519 CO 0.02 -0.13 0.07 -0.13 -1.23 0.00 0.00 174.94 173.55 1bzx s ARG 520 N 3.28 1.67 0.14 2.79 1.81 -0.52 -4.95 118.95 123.16 1bzx s ARG 520 Ca 0.53 -1.94 0.07 0.00 -1.72 0.00 0.00 55.73 52.67 1bzx s ARG 520 Cb -0.21 -0.79 -0.04 0.00 -0.45 0.00 0.00 34.95 33.47 1bzx s ARG 520 CO 0.14 -0.23 -0.04 0.71 -0.68 0.00 0.00 175.30 175.20 1bzx s TYR 521 N -3.33 2.83 0.03 -0.53 1.51 -0.27 -0.32 117.35 117.28 1bzx s TYR 521 Ca 0.35 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 56.18 1bzx s TYR 521 Cb 0.08 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1bzx s TYR 521 CO 0.15 0.48 0.22 -0.59 -1.11 0.00 0.00 175.55 174.71 1bzx s PHE 522 N -1.49 0.00 -0.28 2.71 -0.71 0.98 -0.35 117.98 118.85 1bzx s PHE 522 Ca 0.25 -0.17 -0.25 0.00 -1.04 0.00 0.00 56.93 55.72 1bzx s PHE 522 Cb -0.10 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 1bzx s PHE 522 CO 0.17 -0.43 0.84 -0.47 -1.34 0.00 0.00 175.22 173.99 1bzx s TYR 523 N -2.38 3.25 -0.58 3.49 5.04 -1.26 -0.55 117.35 124.35 1bzx s TYR 523 Ca -0.06 1.01 -0.18 0.00 -2.44 0.00 0.00 57.07 55.39 1bzx s TYR 523 Cb -0.02 -3.20 0.11 0.00 0.35 0.00 0.00 41.96 39.20 1bzx s TYR 523 CO -0.03 -0.52 0.67 1.21 -1.34 0.00 0.00 175.55 175.55 1bzx s ASN 524 N 1.49 6.18 0.37 4.32 3.84 0.14 -4.75 114.94 126.53 1bzx s ASN 524 Ca 0.35 -1.47 0.11 0.00 0.21 0.00 0.00 52.86 52.06 1bzx s ASN 524 Cb -0.14 -2.29 0.70 0.00 -0.55 0.00 0.00 41.25 38.97 1bzx s ASN 524 CO 0.10 -1.07 1.84 0.00 -2.79 0.00 0.00 177.10 175.18 1bzx h ALA 525 N 9.14 1.39 -0.29 1.71 0.00 -1.82 0.71 119.26 130.10 1bzx h ALA 525 Ca -0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1bzx h ALA 525 Cb 1.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1bzx h ALA 525 CO 1.09 0.44 -0.06 0.87 0.00 0.00 0.00 179.25 181.59 1bzx h LYS 526 N 0.10 0.46 0.00 0.00 1.57 -1.95 -2.87 116.57 113.89 1bzx h LYS 526 Ca 0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1bzx h LYS 526 Cb 0.59 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1bzx h LYS 526 CO 0.04 0.54 -1.13 0.00 -0.57 0.00 0.00 179.45 178.33 1bzx n ALA 527 N -2.48 3.57 -3.24 3.86 0.00 -1.12 -5.00 120.51 116.10 1bzx n ALA 527 Ca 0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1bzx n ALA 527 Cb 0.27 -0.58 0.05 0.00 0.00 0.00 0.00 19.45 19.19 1bzx n ALA 527 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bzx n GLY 528 N 1.44 -0.16 3.13 0.00 0.00 0.24 -5.02 105.19 104.83 1bzx n GLY 528 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1bzx n GLY 528 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bzx s LEU 529 N -5.56 2.29 -0.21 0.99 1.43 -0.53 -4.97 118.68 112.13 1bzx s LEU 529 Ca 0.40 -0.62 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 1bzx s LEU 529 Cb -0.18 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1bzx s LEU 529 CO 0.50 -0.15 0.53 0.00 0.23 0.00 0.00 176.35 177.46 1bzx s GLN 531 N 1.76 1.60 0.36 0.00 -0.21 0.28 -4.91 119.66 118.55 1bzx s GLN 531 Ca 0.24 -1.87 -0.08 0.00 0.02 0.00 0.00 55.36 53.67 1bzx s GLN 531 Cb -0.15 -0.85 -0.06 0.00 1.00 0.00 0.00 33.01 32.95 1bzx s GLN 531 CO 0.10 -0.16 0.68 0.95 -2.12 0.00 0.00 175.29 174.74 1bzx s THR 532 N -3.29 4.89 0.16 -0.19 -4.23 -1.26 -0.02 115.64 111.71 1bzx s THR 532 Ca 0.35 0.37 -0.17 0.00 -1.18 0.00 0.00 61.69 61.06 1bzx s THR 532 Cb 0.08 -3.74 0.03 0.00 1.34 0.00 0.00 72.50 70.21 1bzx s THR 532 CO 0.14 -0.46 0.47 0.72 -0.54 0.00 0.00 174.62 174.95 1bzx s PHE 533 N -2.27 -0.15 -0.29 3.99 -0.71 0.57 -4.89 117.98 114.22 1bzx s PHE 533 Ca 0.48 -0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 55.99 1bzx s PHE 533 Cb -0.10 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.02 1bzx s PHE 533 CO 0.31 -0.81 0.62 0.08 -1.34 0.00 0.00 175.22 174.08 1bzx s VAL 534 N -3.84 4.96 -0.17 -2.49 1.01 -1.26 -1.44 120.40 117.17 1bzx s VAL 534 Ca 0.07 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 1bzx s VAL 534 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1bzx s VAL 534 CO -0.07 -0.09 0.12 -0.47 0.00 0.00 0.00 175.10 174.59 1bzx s TYR 535 N 2.56 3.44 -0.18 5.22 5.04 0.30 -4.39 117.35 129.34 1bzx s TYR 535 Ca 0.25 0.36 0.29 0.00 -2.44 0.00 0.00 57.07 55.53 1bzx s TYR 535 Cb -0.15 -2.07 1.16 0.00 0.35 0.00 0.00 41.96 41.25 1bzx s TYR 535 CO 0.11 0.42 1.85 0.78 -1.34 0.00 0.00 175.55 177.37 1bzx h GLY 536 N 6.10 0.00 0.00 8.97 0.00 -0.73 -2.23 103.07 115.18 1bzx h GLY 536 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1bzx h GLY 536 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1bzx n GLY 537 N 0.09 0.89 3.26 4.60 0.00 -1.26 -1.26 105.19 111.50 1bzx n GLY 537 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1bzx n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bzx n ARG 539 N 0.60 -7.29 -2.10 0.00 1.74 -1.26 -4.49 116.66 103.86 1bzx n ARG 539 Ca -0.19 0.82 -0.38 0.00 -0.77 0.00 0.00 57.85 57.34 1bzx n ARG 539 Cb 0.59 -5.85 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 1bzx n ARG 539 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bzx s ALA 540 N -3.34 3.03 0.41 7.54 0.00 -1.26 -4.83 121.76 123.31 1bzx s ALA 540 Ca 0.34 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.44 1bzx s ALA 540 Cb -0.15 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.58 1bzx s ALA 540 CO 0.74 -0.85 0.45 1.63 0.00 0.00 0.00 175.76 177.73 1bzx n LYS 541 N -0.39 0.56 0.08 0.00 5.02 -1.26 -5.04 118.16 117.14 1bzx n LYS 541 Ca 0.07 -1.51 -0.09 0.00 -2.02 0.00 0.00 58.31 54.76 1bzx n LYS 541 Cb 0.46 -0.22 -0.01 0.00 -0.02 0.00 0.00 35.03 35.24 1bzx n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bzx h ARG 542 N 0.00 0.21 -3.69 1.97 3.08 -1.96 -3.32 114.38 110.66 1bzx h ARG 542 Ca -0.15 -0.23 -0.71 0.00 0.07 0.00 0.00 59.98 58.96 1bzx h ARG 542 Cb 0.63 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 1bzx h ARG 542 CO 0.19 0.96 3.08 -1.71 -1.07 0.00 0.00 179.97 181.42 1bzx n ASN 543 N -3.66 5.08 -3.29 7.04 5.15 -1.26 -4.67 115.26 119.66 1bzx n ASN 543 Ca -0.04 -2.84 -0.06 0.00 -0.60 0.00 0.00 54.58 51.04 1bzx n ASN 543 Cb 0.81 -1.60 -0.06 0.00 -0.53 0.00 0.00 39.78 38.40 1bzx n ASN 543 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bzx s ASN 544 N 2.56 -0.18 0.14 1.20 3.84 -1.25 -4.59 114.94 116.66 1bzx s ASN 544 Ca 0.50 0.27 0.10 0.00 0.21 0.00 0.00 52.86 53.95 1bzx s ASN 544 Cb 0.14 1.39 -0.04 0.00 -0.55 0.00 0.00 41.25 42.19 1bzx s ASN 544 CO -0.07 -0.30 -0.24 -0.36 -2.79 0.00 0.00 177.10 173.34 1bzx s PHE 545 N 2.63 2.15 -0.59 0.43 0.08 0.53 -4.95 117.98 118.26 1bzx s PHE 545 Ca 0.14 -0.39 0.25 0.00 0.12 0.00 0.00 56.93 57.05 1bzx s PHE 545 Cb -0.15 -1.14 0.75 0.00 -0.57 0.00 0.00 43.02 41.92 1bzx s PHE 545 CO -0.20 0.34 1.74 0.87 -0.10 0.00 0.00 175.22 177.88 1bzx h LYS 546 N 3.73 0.00 -3.52 0.44 1.57 -1.95 -0.70 116.57 116.15 1bzx h LYS 546 Ca -0.48 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 1bzx h LYS 546 Cb 1.18 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.37 1bzx h LYS 546 CO 0.42 0.00 -0.14 -1.54 -0.57 0.00 0.00 179.45 177.62 1bzx s SER 547 N -4.96 -0.14 0.26 0.86 1.04 -1.26 -4.85 113.70 104.66 1bzx s SER 547 Ca 0.08 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1bzx s SER 547 Cb 0.10 0.47 0.34 0.00 0.10 0.00 0.00 66.02 67.03 1bzx s SER 547 CO 0.59 -0.88 1.79 0.00 0.98 0.00 0.00 173.24 175.71 1bzx h ALA 548 N 2.42 1.14 -0.44 5.32 0.00 -1.98 -2.45 119.26 123.27 1bzx h ALA 548 Ca -0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bzx h ALA 548 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1bzx h ALA 548 CO 0.46 0.57 0.27 1.49 0.00 0.00 0.00 179.25 182.04 1bzx h GLU 549 N 0.81 0.60 -0.11 0.00 4.81 -1.98 0.15 114.58 118.85 1bzx h GLU 549 Ca 0.17 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1bzx h GLU 549 Cb 0.36 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1bzx h GLU 549 CO 0.01 0.44 0.04 -0.44 -0.73 0.00 0.00 179.01 178.32 1bzx h ASP 550 N 0.59 0.04 -0.58 1.04 5.19 -1.93 0.23 116.42 120.99 1bzx h ASP 550 Ca 0.16 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1bzx h ASP 550 Cb -0.01 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 1bzx h ASP 550 CO -0.03 0.04 0.28 0.00 -3.12 0.00 0.00 179.24 176.41 1bzx h MET 552 N 0.52 0.32 -0.15 0.00 2.86 -0.23 0.22 114.93 118.47 1bzx h MET 552 Ca 0.27 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1bzx h MET 552 Cb 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1bzx h MET 552 CO -0.21 0.60 -0.06 0.00 1.06 0.00 0.00 176.91 178.31 1bzx h ARG 553 N 0.02 0.22 0.00 1.72 3.08 -0.39 0.44 114.38 119.47 1bzx h ARG 553 Ca 0.04 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1bzx h ARG 553 Cb 0.49 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1bzx h ARG 553 CO 0.02 0.29 -0.99 1.15 -1.07 0.00 0.00 179.97 179.37 1bzx h THR 554 N 0.21 1.10 0.00 2.04 2.02 -0.94 -3.42 112.91 113.92 1bzx h THR 554 Ca 0.05 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1bzx h THR 554 Cb 0.25 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1bzx h THR 554 CO 0.01 0.37 -1.18 0.00 0.37 0.00 0.00 175.52 175.10 1bzx n GLY 556 N 1.48 -0.90 0.00 0.00 0.00 0.14 -4.83 105.19 101.09 1bzx n GLY 556 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1bzx n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzx n GLY 557 N -1.83 -0.70 0.00 -0.02 0.00 -1.26 -5.08 105.19 96.29 1bzx n GLY 557 Ca 0.39 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1bzx n GLY 557 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32