#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohm n TYR 2 N 0.00 0.00 0.95 5.64 4.01 -1.26 -4.91 117.16 121.59 1ohm n TYR 2 Ca 0.00 -0.11 0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1ohm n TYR 2 Cb 0.00 -0.01 0.53 0.00 -0.31 0.00 0.00 39.34 39.55 1ohm n TYR 2 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1ohm n TYR 3 N -0.11 0.00 -1.14 -0.72 0.18 -1.26 -4.96 117.16 109.14 1ohm n TYR 3 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1ohm n TYR 3 Cb 0.40 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 1ohm n TYR 3 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ohm n GLY 4 N 0.69 -2.23 0.03 -7.48 0.00 -1.26 -4.79 105.19 90.15 1ohm n GLY 4 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ohm n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ohm n ASN 5 N 0.00 0.01 -0.01 1.61 6.94 -1.26 -1.90 115.26 120.65 1ohm n ASN 5 Ca 0.00 -0.34 -0.17 0.00 -0.02 0.00 0.00 54.58 54.05 1ohm n ASN 5 Cb 0.00 -0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.31 1ohm n ASN 5 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1ohm h GLY 6 N 1.06 0.49 -1.91 4.83 0.00 -1.94 -3.44 103.07 102.16 1ohm h GLY 6 Ca 0.00 -0.79 -0.51 0.00 0.00 0.00 0.00 47.33 46.02 1ohm h GLY 6 CO 0.00 0.70 0.41 0.14 0.00 0.00 0.00 176.54 177.80 1ohm s VAL 7 N -3.39 2.99 -0.21 4.60 1.01 -0.80 -3.11 120.40 121.50 1ohm s VAL 7 Ca -0.13 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 1ohm s VAL 7 Cb 0.04 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.37 1ohm s VAL 7 CO 0.82 -0.21 0.11 -1.00 0.00 0.00 0.00 175.10 174.83 1ohm s HIS 8 N -1.97 0.20 0.68 5.22 0.09 -1.21 -4.78 115.29 113.53 1ohm s HIS 8 Ca 0.72 -0.47 -0.10 0.00 -0.00 0.00 0.00 55.06 55.21 1ohm s HIS 8 Cb -0.24 -0.74 0.01 0.00 -0.00 0.00 0.00 32.58 31.61 1ohm s HIS 8 CO 0.35 -0.62 1.06 0.00 -0.00 0.00 0.00 174.74 175.53 1ohm n GLY 10 N -2.92 -0.58 1.75 0.00 0.00 -1.26 -4.92 105.19 97.26 1ohm n GLY 10 Ca 0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 1ohm n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ohm n LYS 11 N 0.00 0.66 0.00 1.61 5.02 -1.26 -4.48 118.16 119.70 1ohm n LYS 11 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1ohm n LYS 11 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1ohm n LYS 11 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ohm n HIS 12 N 1.80 0.00 -0.90 2.13 8.25 -1.26 -5.11 115.22 120.13 1ohm n HIS 12 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1ohm n HIS 12 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1ohm n HIS 12 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ohm n SER 13 N 0.00 0.12 -2.58 0.41 7.64 -1.26 -5.06 113.62 112.89 1ohm n SER 13 Ca 0.00 -1.02 -0.02 0.00 1.01 0.00 0.00 58.87 58.84 1ohm n SER 13 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ohm n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ohm s THR 15 N -1.72 1.96 -0.34 0.00 -4.23 -0.17 -4.86 115.64 106.29 1ohm s THR 15 Ca 0.07 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1ohm s THR 15 Cb -0.02 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1ohm s THR 15 CO 0.67 0.00 0.25 -0.69 -0.54 0.00 0.00 174.62 174.31 1ohm s VAL 16 N -3.08 5.28 -0.10 2.29 1.01 -1.26 -3.32 120.40 121.22 1ohm s VAL 16 Ca 0.66 -0.18 0.20 0.00 0.00 0.00 0.00 61.98 62.66 1ohm s VAL 16 Cb -0.16 -3.72 -0.30 0.00 0.00 0.00 0.00 36.38 32.20 1ohm s VAL 16 CO 0.56 -0.01 0.33 -0.67 0.00 0.00 0.00 175.10 175.31 1ohm n ASP 17 N 5.13 0.02 -0.23 3.32 2.03 -1.18 -4.57 116.55 121.07 1ohm n ASP 17 Ca -0.12 0.01 -0.05 0.00 0.52 0.00 0.00 54.79 55.14 1ohm n ASP 17 Cb 0.50 1.57 0.05 0.00 -0.72 0.00 0.00 41.12 42.51 1ohm n ASP 17 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1ohm h TRP 18 N 0.00 0.81 0.00 -0.67 5.08 -1.91 -2.05 115.95 117.20 1ohm h TRP 18 Ca -0.22 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.77 1ohm h TRP 18 Cb 1.50 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1ohm h TRP 18 CO 0.00 0.50 0.00 0.78 -1.28 0.00 0.00 178.44 178.44 1ohm h GLY 19 N 0.87 0.00 1.07 11.11 0.00 -1.92 -2.40 103.07 111.80 1ohm h GLY 19 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 1ohm h GLY 19 CO -0.06 0.00 -0.71 -0.84 0.00 0.00 0.00 176.54 174.93 1ohm h THR 20 N 0.00 1.31 0.45 4.70 2.02 -1.72 -0.63 112.91 119.04 1ohm h THR 20 Ca 0.00 -1.96 -0.02 0.00 0.77 0.00 0.00 66.41 65.20 1ohm h THR 20 Cb 0.53 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1ohm h THR 20 CO 0.00 0.61 -0.23 0.00 0.37 0.00 0.00 175.52 176.27 1ohm h ALA 21 N 0.50 -0.62 0.00 6.16 0.00 -1.20 -0.56 119.26 123.54 1ohm h ALA 21 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ohm h ALA 21 Cb 1.35 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1ohm h ALA 21 CO 0.15 -0.85 -0.25 -0.84 0.00 0.00 0.00 179.25 177.45 1ohm h ILE 22 N -0.62 0.77 0.02 0.00 3.07 -1.56 -2.23 117.51 116.95 1ohm h ILE 22 Ca -0.06 -1.04 0.01 0.00 1.55 0.00 0.00 64.86 65.32 1ohm h ILE 22 Cb 0.49 1.64 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 1ohm h ILE 22 CO 0.09 0.25 -0.04 1.23 -1.05 0.00 0.00 178.15 178.62 1ohm h GLY 23 N 1.47 -0.06 0.00 0.16 0.00 -0.75 -0.34 103.07 103.56 1ohm h GLY 23 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1ohm h GLY 23 CO 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.53 1ohm h ILE 25 N 0.00 0.72 0.82 0.00 5.03 -1.44 0.11 117.51 122.75 1ohm h ILE 25 Ca 0.00 -0.21 -0.04 0.00 -0.12 0.00 0.00 64.86 64.49 1ohm h ILE 25 Cb 0.00 0.04 0.00 0.00 -3.03 0.00 0.00 36.82 33.83 1ohm h ILE 25 CO 0.00 0.11 -0.43 1.23 -0.68 0.00 0.00 178.15 178.39 1ohm h GLY 26 N 0.63 -1.22 0.77 5.37 0.00 -1.14 -0.35 103.07 107.13 1ohm h GLY 26 Ca 0.47 0.47 -0.01 0.00 0.00 0.00 0.00 47.33 48.26 1ohm h GLY 26 CO -0.37 -0.43 -0.07 -0.57 0.00 0.00 0.00 176.54 175.10 1ohm h ASN 27 N -1.14 -0.15 -0.70 0.19 -1.24 -1.15 -1.81 115.58 109.56 1ohm h ASN 27 Ca -0.11 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.66 1ohm h ASN 27 Cb 0.89 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 1ohm h ASN 27 CO 0.16 0.10 0.23 0.78 -1.29 0.00 0.00 177.43 177.41 1ohm h ASN 28 N -0.41 1.01 -0.40 1.15 -0.26 -0.87 -2.52 115.58 113.28 1ohm h ASN 28 Ca -0.02 -0.20 -0.12 0.00 -0.56 0.00 0.00 56.30 55.40 1ohm h ASN 28 Cb 0.33 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1ohm h ASN 28 CO 0.03 0.95 -0.20 0.00 -1.06 0.00 0.00 177.43 177.14 1ohm h ALA 29 N 1.11 0.80 0.00 -0.83 0.00 -1.11 -2.58 119.26 116.63 1ohm h ALA 29 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ohm h ALA 29 Cb 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ohm h ALA 29 CO -0.01 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 1ohm h ALA 30 N 0.98 1.39 -0.06 0.00 0.00 -0.95 0.31 119.26 120.94 1ohm h ALA 30 Ca 0.11 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 1ohm h ALA 30 Cb 0.75 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ohm h ALA 30 CO 0.06 0.05 -0.87 0.00 0.00 0.00 0.00 179.25 178.49 1ohm h ALA 31 N 1.96 0.19 -0.09 0.00 0.00 -1.33 -3.38 119.26 116.60 1ohm h ALA 31 Ca -0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 1ohm h ALA 31 Cb 0.11 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ohm h ALA 31 CO 0.00 0.63 -0.65 -0.91 0.00 0.00 0.00 179.25 178.32 1ohm h ASN 32 N 0.38 0.73 0.00 0.00 2.35 -0.83 -3.50 115.58 114.71 1ohm h ASN 32 Ca -0.09 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 54.99 1ohm h ASN 32 Cb 1.52 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1ohm h ASN 32 CO 0.17 1.28 0.00 1.87 -1.65 0.00 0.00 177.43 179.11 1ohm n TRP 33 N -4.11 0.00 0.00 1.19 -0.00 0.98 -4.40 117.44 111.10 1ohm n TRP 33 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 1ohm n TRP 33 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.99 1ohm n TRP 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ohm n ALA 34 N 0.00 0.55 -3.22 5.87 0.00 -1.09 -4.33 120.51 118.29 1ohm n ALA 34 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1ohm n ALA 34 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ohm n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ohm s THR 35 N -1.00 -0.10 -0.01 0.00 -4.23 -1.26 -4.65 115.64 104.39 1ohm s THR 35 Ca 0.00 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1ohm s THR 35 Cb 0.00 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1ohm s THR 35 CO 0.00 -0.83 0.01 0.61 -0.54 0.00 0.00 174.62 173.87 1ohm n GLY 36 N 3.07 -0.37 0.00 3.99 0.00 -1.26 -4.88 105.19 105.74 1ohm n GLY 36 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ohm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohm n GLY 37 N -0.94 -0.31 3.55 -0.02 0.00 -1.26 -4.76 105.19 101.46 1ohm n GLY 37 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ohm n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ohm s ASN 38 N -2.60 0.78 0.00 1.61 2.47 -1.26 -5.09 114.94 110.85 1ohm s ASN 38 Ca 0.00 -1.44 0.00 0.00 0.42 0.00 0.00 52.86 51.84 1ohm s ASN 38 Cb 0.00 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 1ohm s ASN 38 CO 0.00 -1.38 0.00 0.00 -3.72 0.00 0.00 177.10 172.00 1ohm n ALA 39 N -0.57 0.95 0.35 1.71 0.00 -1.26 -4.80 120.51 116.89 1ohm n ALA 39 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ohm n ALA 39 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1ohm n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ohm n GLY 40 N 1.18 0.54 0.23 0.00 0.00 -1.26 -2.63 105.19 103.25 1ohm n GLY 40 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ohm n GLY 40 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1ohm h TRP 41 N 0.69 0.46 0.00 1.61 0.09 -1.97 -3.45 115.95 113.38 1ohm h TRP 41 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 58.89 59.01 1ohm h TRP 41 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 29.16 29.31 1ohm h TRP 41 CO 0.00 0.17 0.00 0.27 0.09 0.00 0.00 178.44 178.97 1ohm n ASN 42 N -4.93 0.00 0.00 0.11 6.94 -1.24 -5.11 115.26 111.03 1ohm n ASN 42 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1ohm n ASN 42 Cb 0.21 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 1ohm n ASN 42 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ohm n LYS 43 N 0.00 0.00 0.00 -3.83 2.85 -1.08 -5.14 118.16 110.96 1ohm n LYS 43 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 1ohm n LYS 43 Cb 0.00 0.00 0.36 0.00 -0.65 0.00 0.00 35.03 34.74 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35