#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ejm n PRO 502 N 0.00 1.44 0.26 2.89 -0.02 -1.26 -4.89 135.00 133.42 1ejm n PRO 502 Ca 0.00 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1ejm n PRO 502 Cb 0.00 -2.37 0.69 0.00 -0.02 0.00 0.00 33.50 31.80 1ejm n PRO 502 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ejm h ASP 503 N 1.24 0.00 0.41 2.55 3.32 -2.02 -1.43 116.42 120.49 1ejm h ASP 503 Ca -0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1ejm h ASP 503 Cb 1.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1ejm h ASP 503 CO 0.55 0.08 -0.00 2.19 -1.72 0.00 0.00 179.24 180.35 1ejm h PHE 504 N 0.00 0.00 0.00 4.55 -5.15 -1.98 0.11 116.94 114.46 1ejm h PHE 504 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1ejm h PHE 504 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.35 1ejm h PHE 504 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1ejm n LEU 506 N -2.68 2.11 -4.79 0.00 4.77 0.02 -4.52 117.00 111.92 1ejm n LEU 506 Ca -0.00 -0.70 -0.37 0.00 -0.03 0.00 0.00 56.01 54.91 1ejm n LEU 506 Cb 0.18 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1ejm n LEU 506 CO 0.20 0.36 0.60 -1.61 -1.33 0.00 0.00 177.39 175.60 1ejm s GLU 507 N -2.07 4.53 0.54 3.23 2.02 -0.70 -4.93 118.70 121.32 1ejm s GLU 507 Ca 0.32 1.24 -0.21 0.00 0.02 0.00 0.00 54.97 56.33 1ejm s GLU 507 Cb 0.20 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.53 1ejm s GLU 507 CO 0.35 0.33 1.31 -2.14 0.02 0.00 0.00 175.26 175.13 1ejm s PRO 508 N -1.96 3.20 0.37 0.39 0.02 -1.26 -4.89 135.00 130.86 1ejm s PRO 508 Ca 0.48 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 63.33 1ejm s PRO 508 Cb -0.19 -2.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.99 1ejm s PRO 508 CO 0.24 -1.11 1.49 -1.25 -0.33 0.00 0.00 177.00 176.04 1ejm s PRO 509 N -2.93 4.12 -0.32 5.54 0.04 -1.26 -4.95 135.00 135.23 1ejm s PRO 509 Ca 0.71 2.56 -0.06 0.00 0.04 0.00 0.00 61.00 64.26 1ejm s PRO 509 Cb -0.37 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1ejm s PRO 509 CO 0.44 -0.53 0.08 -0.47 0.04 0.00 0.00 177.00 176.56 1ejm s TYR 510 N -1.07 3.23 0.22 0.56 6.14 -1.26 -4.97 117.35 120.20 1ejm s TYR 510 Ca 0.53 -1.42 -0.04 0.00 0.64 0.00 0.00 57.07 56.78 1ejm s TYR 510 Cb -0.46 -2.24 0.22 0.00 0.42 0.00 0.00 41.96 39.89 1ejm s TYR 510 CO 0.62 -0.71 1.66 1.15 0.64 0.00 0.00 175.55 178.91 1ejm h THR 511 N 6.16 1.26 0.00 4.34 2.02 -1.94 -3.43 112.91 121.33 1ejm h THR 511 Ca -0.25 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1ejm h THR 511 Cb 1.09 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1ejm h THR 511 CO 0.59 0.42 0.00 0.61 0.37 0.00 0.00 175.52 177.51 1ejm n GLY 512 N -0.35 -0.97 0.15 2.16 0.00 -1.26 -0.09 105.19 104.82 1ejm n GLY 512 Ca 0.01 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.41 1ejm n GLY 512 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ejm h PRO 513 N 0.00 0.00 -7.21 1.61 0.13 -1.92 -3.43 132.00 121.18 1ejm h PRO 513 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1ejm h PRO 513 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 1ejm h PRO 513 CO 0.00 0.47 0.37 0.00 -0.23 0.00 0.00 178.00 178.61 1ejm n ARG 515 N -2.64 2.70 -2.59 0.00 1.74 -1.17 -4.33 116.66 110.37 1ejm n ARG 515 Ca 0.11 -3.57 -0.23 0.00 -0.77 0.00 0.00 57.85 53.39 1ejm n ARG 515 Cb 0.52 -2.11 0.09 0.00 -1.02 0.00 0.00 32.46 29.93 1ejm n ARG 515 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1ejm s LEU 516 N -3.52 3.05 -0.36 0.55 0.05 -0.52 -5.06 118.68 112.87 1ejm s LEU 516 Ca 0.52 -0.25 0.01 0.00 0.05 0.00 0.00 54.13 54.46 1ejm s LEU 516 Cb 0.44 -2.25 0.11 0.00 -2.05 0.00 0.00 46.19 42.43 1ejm s LEU 516 CO 0.01 -1.65 0.14 -0.60 -0.55 0.00 0.00 176.35 173.70 1ejm s ARG 517 N -5.03 1.03 -0.02 1.48 3.00 -1.26 -4.26 118.95 113.88 1ejm s ARG 517 Ca 0.64 -1.52 0.05 0.00 -1.00 0.00 0.00 55.73 53.90 1ejm s ARG 517 Cb -0.07 -2.30 -0.01 0.00 0.00 0.00 0.00 34.95 32.57 1ejm s ARG 517 CO 0.43 -1.04 -0.16 -1.50 0.00 0.00 0.00 175.30 173.02 1ejm s ILE 518 N 1.08 1.30 -0.08 4.11 1.10 -1.08 -4.99 121.20 122.64 1ejm s ILE 518 Ca 0.13 -0.69 -0.26 0.00 -0.51 0.00 0.00 60.65 59.31 1ejm s ILE 518 Cb -0.20 -1.09 -0.03 0.00 0.15 0.00 0.00 42.46 41.29 1ejm s ILE 518 CO -0.14 0.37 0.83 -0.63 -2.11 0.00 0.00 174.94 173.26 1ejm s ILE 519 N -0.29 4.94 0.37 2.00 1.01 -1.26 -0.82 121.20 127.15 1ejm s ILE 519 Ca 0.04 1.69 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1ejm s ILE 519 Cb -0.07 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1ejm s ILE 519 CO -0.00 0.15 0.07 -0.13 0.00 0.00 0.00 174.94 175.03 1ejm s ARG 520 N 1.31 1.79 0.14 2.79 1.81 -0.36 -4.94 118.95 121.49 1ejm s ARG 520 Ca 0.42 -2.04 0.08 0.00 -1.72 0.00 0.00 55.73 52.47 1ejm s ARG 520 Cb -0.18 -0.90 -0.04 0.00 -0.45 0.00 0.00 34.95 33.38 1ejm s ARG 520 CO 0.19 -0.27 -0.12 0.71 -0.68 0.00 0.00 175.30 175.13 1ejm s TYR 521 N -3.20 2.65 0.04 -0.53 1.51 0.68 -0.67 117.35 117.82 1ejm s TYR 521 Ca 0.30 -0.21 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 1ejm s TYR 521 Cb 0.07 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1ejm s TYR 521 CO 0.14 0.45 0.13 -0.59 -1.11 0.00 0.00 175.55 174.58 1ejm s PHE 522 N -1.39 0.15 -0.29 2.71 -0.12 0.35 -0.21 117.98 119.17 1ejm s PHE 522 Ca 0.22 -0.42 -0.21 0.00 -0.05 0.00 0.00 56.93 56.47 1ejm s PHE 522 Cb -0.10 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 1ejm s PHE 522 CO 0.13 -0.39 0.67 -0.47 -0.05 0.00 0.00 175.22 175.11 1ejm s TYR 523 N -2.61 3.23 -0.64 3.49 6.14 -1.26 -0.60 117.35 125.10 1ejm s TYR 523 Ca -0.05 0.69 -0.20 0.00 0.64 0.00 0.00 57.07 58.16 1ejm s TYR 523 Cb -0.01 -3.01 0.10 0.00 0.42 0.00 0.00 41.96 39.46 1ejm s TYR 523 CO -0.04 -0.46 0.80 1.21 0.64 0.00 0.00 175.55 177.70 1ejm s ASN 524 N 1.59 6.22 0.40 4.32 3.84 -0.02 -4.75 114.94 126.55 1ejm s ASN 524 Ca 0.27 -1.39 0.09 0.00 0.21 0.00 0.00 52.86 52.05 1ejm s ASN 524 Cb -0.15 -2.34 0.89 0.00 -0.55 0.00 0.00 41.25 39.10 1ejm s ASN 524 CO 0.11 -1.19 2.00 0.00 -2.79 0.00 0.00 177.10 175.23 1ejm h ALA 525 N 9.23 1.83 0.00 1.71 0.00 -1.83 0.13 119.26 130.33 1ejm h ALA 525 Ca -0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1ejm h ALA 525 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ejm h ALA 525 CO 1.12 0.08 -0.28 0.87 0.00 0.00 0.00 179.25 181.03 1ejm h LYS 526 N 0.56 0.00 0.00 0.00 1.57 -1.95 -2.91 116.57 113.85 1ejm h LYS 526 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1ejm h LYS 526 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ejm h LYS 526 CO -0.07 0.28 -0.93 0.00 -0.57 0.00 0.00 179.45 178.16 1ejm n ALA 527 N -2.33 4.02 -2.34 3.86 0.00 -0.83 -4.98 120.51 117.91 1ejm n ALA 527 Ca -0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.78 1ejm n ALA 527 Cb 0.39 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1ejm n ALA 527 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejm n GLY 528 N 1.41 -0.37 3.02 0.00 0.00 0.38 -4.99 105.19 104.65 1ejm n GLY 528 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1ejm n GLY 528 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ejm s LEU 529 N -5.19 2.27 -0.01 0.99 1.43 -1.10 -4.99 118.68 112.07 1ejm s LEU 529 Ca 0.00 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.30 1ejm s LEU 529 Cb 0.00 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 1ejm s LEU 529 CO 0.00 -0.30 0.71 0.00 0.23 0.00 0.00 176.35 176.99 1ejm s GLN 531 N 0.29 1.45 0.25 0.00 -0.21 0.23 -4.92 119.66 116.75 1ejm s GLN 531 Ca 0.37 -1.77 -0.04 0.00 0.02 0.00 0.00 55.36 53.94 1ejm s GLN 531 Cb -0.19 -0.58 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 1ejm s GLN 531 CO 0.20 -0.18 0.49 0.95 -2.12 0.00 0.00 175.29 174.63 1ejm s THR 532 N -3.49 5.09 0.18 -0.19 -4.23 -1.26 -0.50 115.64 111.24 1ejm s THR 532 Ca 0.34 -0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.63 1ejm s THR 532 Cb 0.07 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.20 1ejm s THR 532 CO 0.12 -0.25 0.42 0.72 -0.54 0.00 0.00 174.62 175.09 1ejm s PHE 533 N -1.99 0.06 -0.28 3.99 -0.12 0.16 -4.91 117.98 114.89 1ejm s PHE 533 Ca 0.42 -0.41 -0.21 0.00 -0.05 0.00 0.00 56.93 56.68 1ejm s PHE 533 Cb -0.11 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1ejm s PHE 533 CO 0.29 -0.82 0.67 0.08 -0.05 0.00 0.00 175.22 175.39 1ejm s VAL 534 N -3.90 4.92 -0.16 -2.49 1.01 -1.26 -1.23 120.40 117.30 1ejm s VAL 534 Ca 0.11 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 63.06 1ejm s VAL 534 Cb 0.01 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1ejm s VAL 534 CO -0.03 -0.10 0.15 -0.47 0.00 0.00 0.00 175.10 174.66 1ejm s TYR 535 N 2.65 3.51 -0.88 5.22 5.04 0.00 -4.38 117.35 128.52 1ejm s TYR 535 Ca 0.28 0.46 0.25 0.00 -2.44 0.00 0.00 57.07 55.61 1ejm s TYR 535 Cb -0.15 -2.08 0.98 0.00 0.35 0.00 0.00 41.96 41.07 1ejm s TYR 535 CO 0.10 0.50 1.77 0.41 -1.34 0.00 0.00 175.55 177.00 1ejm n GLY 536 N 2.77 -1.42 0.00 8.97 0.00 0.87 -2.62 105.19 113.76 1ejm n GLY 536 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ejm n GLY 536 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejm n GLY 537 N 0.98 1.79 3.31 -0.02 0.00 -1.26 -1.43 105.19 108.55 1ejm n GLY 537 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1ejm n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejm n ARG 539 N -0.19 -5.41 -1.95 0.00 1.74 -1.26 -4.43 116.66 105.16 1ejm n ARG 539 Ca -0.14 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.21 1ejm n ARG 539 Cb 0.63 -5.37 0.04 0.00 -1.02 0.00 0.00 32.46 26.74 1ejm n ARG 539 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ejm s ALA 540 N -3.49 2.50 0.72 7.54 0.00 -1.26 -4.86 121.76 122.92 1ejm s ALA 540 Ca 0.32 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1ejm s ALA 540 Cb -0.16 -3.45 0.14 0.00 0.00 0.00 0.00 23.12 19.66 1ejm s ALA 540 CO 0.81 -1.23 0.98 1.63 0.00 0.00 0.00 175.76 177.95 1ejm n LYS 541 N -1.73 -0.02 0.20 0.00 4.76 -1.26 -5.03 118.16 115.08 1ejm n LYS 541 Ca 0.13 -2.78 0.08 0.00 -2.87 0.00 0.00 58.31 52.88 1ejm n LYS 541 Cb 0.50 -0.61 0.30 0.00 -1.84 0.00 0.00 35.03 33.38 1ejm n LYS 541 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ejm h ARG 542 N 0.00 0.00 -3.73 1.97 3.08 -1.97 -3.35 114.38 110.38 1ejm h ARG 542 Ca -0.32 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 58.98 1ejm h ARG 542 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.15 1ejm h ARG 542 CO 0.36 0.26 2.28 -1.71 -1.07 0.00 0.00 179.97 180.09 1ejm n ASN 543 N -3.28 4.79 -3.39 7.04 5.15 -1.26 -4.76 115.26 119.54 1ejm n ASN 543 Ca 0.01 -3.03 -0.06 0.00 -0.60 0.00 0.00 54.58 50.90 1ejm n ASN 543 Cb 0.53 -1.53 -0.07 0.00 -0.53 0.00 0.00 39.78 38.18 1ejm n ASN 543 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ejm s ASN 544 N 1.60 -0.22 0.15 1.20 3.84 -1.25 -4.59 114.94 115.67 1ejm s ASN 544 Ca 0.42 0.56 0.06 0.00 0.21 0.00 0.00 52.86 54.11 1ejm s ASN 544 Cb 0.10 1.41 -0.04 0.00 -0.55 0.00 0.00 41.25 42.17 1ejm s ASN 544 CO -0.02 -0.27 -0.14 -0.36 -2.79 0.00 0.00 177.10 173.52 1ejm s PHE 545 N 2.63 1.51 -1.14 0.43 0.40 0.71 -4.93 117.98 117.59 1ejm s PHE 545 Ca 0.11 -0.58 0.27 0.00 -0.60 0.00 0.00 56.93 56.12 1ejm s PHE 545 Cb -0.15 -0.76 0.84 0.00 0.51 0.00 0.00 43.02 43.46 1ejm s PHE 545 CO -0.16 0.21 1.64 1.63 0.70 0.00 0.00 175.22 179.23 1ejm n LYS 546 N 0.18 0.15 -3.60 0.44 5.02 -1.26 -0.23 118.16 118.86 1ejm n LYS 546 Ca -0.13 -0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 55.98 1ejm n LYS 546 Cb 0.58 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 1ejm n LYS 546 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ejm s SER 547 N -2.89 -0.31 0.22 4.39 1.04 -1.26 -4.86 113.70 110.03 1ejm s SER 547 Ca 0.15 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 1ejm s SER 547 Cb 0.18 0.49 0.20 0.00 0.10 0.00 0.00 66.02 66.99 1ejm s SER 547 CO 0.61 -0.83 1.74 0.00 0.98 0.00 0.00 173.24 175.75 1ejm h ALA 548 N 2.46 1.02 -0.21 5.32 0.00 -1.97 -2.13 119.26 123.75 1ejm h ALA 548 Ca -0.33 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1ejm h ALA 548 Cb 1.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1ejm h ALA 548 CO 0.45 0.64 0.00 1.49 0.00 0.00 0.00 179.25 181.83 1ejm h GLU 549 N 1.00 0.07 -0.69 0.00 4.81 -1.99 0.22 114.58 118.00 1ejm h GLU 549 Ca 0.21 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1ejm h GLU 549 Cb 0.36 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1ejm h GLU 549 CO 0.00 0.05 0.27 -0.44 -0.73 0.00 0.00 179.01 178.16 1ejm h ASP 550 N 0.07 0.96 -0.36 1.04 3.32 -1.93 -1.09 116.42 118.42 1ejm h ASP 550 Ca 0.10 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1ejm h ASP 550 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1ejm h ASP 550 CO -0.16 0.87 0.17 0.00 -1.72 0.00 0.00 179.24 178.40 1ejm h LEU 552 N 0.45 1.02 -0.96 0.00 3.38 -0.32 0.14 115.31 119.02 1ejm h LEU 552 Ca 0.12 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1ejm h LEU 552 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ejm h LEU 552 CO -0.01 0.93 -0.18 0.03 0.09 0.00 0.00 178.44 179.30 1ejm h ARG 553 N 1.05 0.56 0.20 1.13 3.08 -1.09 0.37 114.38 119.68 1ejm h ARG 553 Ca 0.24 -0.19 -0.35 0.00 0.07 0.00 0.00 59.98 59.75 1ejm h ARG 553 Cb 0.25 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.27 1ejm h ARG 553 CO -0.01 0.71 -1.70 1.15 -1.07 0.00 0.00 179.97 179.05 1ejm h THR 554 N 0.50 1.01 -0.00 2.04 2.02 -1.21 -3.42 112.91 113.86 1ejm h THR 554 Ca 0.08 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1ejm h THR 554 Cb 0.59 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1ejm h THR 554 CO 0.04 0.85 -0.17 0.00 0.37 0.00 0.00 175.52 176.61 1ejm h GLY 556 N 1.32 0.52 -3.99 0.00 0.00 -0.33 -3.45 103.07 97.14 1ejm h GLY 556 Ca 0.00 -0.33 -0.53 0.00 0.00 0.00 0.00 47.33 46.48 1ejm h GLY 556 CO 0.00 0.31 0.68 -0.32 0.00 0.00 0.00 176.54 177.21 1ejm s GLY 557 N -2.99 2.82 0.00 4.60 0.00 -1.26 -5.01 107.32 105.48 1ejm s GLY 557 Ca -0.13 1.31 0.11 0.00 0.00 0.00 0.00 44.72 46.00 1ejm s GLY 557 CO 0.74 2.05 1.07 0.00 0.00 0.00 0.00 173.10 176.96