#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 -0.13 5.58 4.01 -1.26 -4.88 117.16 120.49 1ohm n TYR 2 Ca 0.00 -0.26 -0.09 0.00 -0.16 0.00 0.00 57.90 57.39 1ohm n TYR 2 Cb 0.00 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1ohm n TYR 2 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1ohm h TYR 3 N 0.00 -1.13 0.00 -0.72 3.20 -2.00 -3.49 116.97 112.83 1ohm h TYR 3 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ohm h TYR 3 Cb 1.00 0.55 0.00 0.00 1.54 0.00 0.00 36.73 39.82 1ohm h TYR 3 CO 0.03 -0.42 0.00 0.41 -1.64 0.00 0.00 178.16 176.53 1ohm n GLY 4 N -1.42 2.34 4.98 1.82 0.00 -1.26 -5.04 105.19 106.62 1ohm n GLY 4 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1ohm n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ohm n ASN 5 N 0.00 0.00 0.00 1.61 2.85 -1.26 -1.96 115.26 116.50 1ohm n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ohm n ASN 5 Cb 0.00 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 40.67 1ohm n ASN 5 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ohm n GLY 6 N -0.70 0.92 3.75 8.20 0.00 -1.26 -4.84 105.19 111.25 1ohm n GLY 6 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ohm n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ohm s VAL 7 N -2.00 2.22 -0.19 1.61 1.01 -0.83 -3.92 120.40 118.30 1ohm s VAL 7 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1ohm s VAL 7 Cb 0.00 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.39 1ohm s VAL 7 CO 0.00 -0.02 0.13 -1.38 0.00 0.00 0.00 175.10 173.83 1ohm s HIS 8 N -1.40 0.08 0.76 5.22 -3.43 -0.73 -4.55 115.29 111.24 1ohm s HIS 8 Ca 0.76 -0.24 -0.11 0.00 -0.80 0.00 0.00 55.06 54.66 1ohm s HIS 8 Cb -0.37 -0.63 0.05 0.00 -1.43 0.00 0.00 32.58 30.20 1ohm s HIS 8 CO 0.42 -0.58 1.10 0.00 -2.00 0.00 0.00 174.74 173.68 1ohm n GLY 10 N -2.51 0.51 2.31 0.00 0.00 -1.26 -4.78 105.19 99.45 1ohm n GLY 10 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.93 0.00 1.61 5.02 -1.26 -4.87 118.16 116.73 1ohm n LYS 11 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1ohm n LYS 11 Cb 0.54 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 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 -2.97 0.00 0.00 2.13 8.25 -1.26 -5.04 115.22 116.32 1ohm n HIS 12 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1ohm n HIS 12 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.25 0.39 -1.08 0.41 7.64 -1.26 -5.16 113.62 114.31 1ohm n SER 13 Ca 0.00 -0.13 0.12 0.00 1.01 0.00 0.00 58.87 59.86 1ohm n SER 13 Cb 0.00 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 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 -4.09 0.07 0.61 0.00 2.01 -0.80 -4.98 115.64 108.46 1ohm s THR 15 Ca 0.00 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 1ohm s THR 15 Cb 0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 1ohm s THR 15 CO 0.00 -0.34 0.99 -0.69 -0.69 0.00 0.00 174.62 173.89 1ohm s VAL 16 N -1.11 4.42 0.23 3.82 1.01 -1.26 -1.78 120.40 125.74 1ohm s VAL 16 Ca -0.12 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1ohm s VAL 16 Cb -0.07 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1ohm s VAL 16 CO 0.01 -0.94 1.56 -0.78 0.00 0.00 0.00 175.10 174.95 1ohm h ASP 17 N -0.28 0.32 0.00 3.32 3.58 -1.89 -3.46 116.42 118.02 1ohm h ASP 17 Ca -0.45 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1ohm h ASP 17 Cb 1.21 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ohm h ASP 17 CO 0.62 0.83 0.00 0.79 -2.88 0.00 0.00 179.24 178.60 1ohm n TRP 18 N -3.90 0.00 0.27 0.28 7.02 -1.26 -4.89 117.44 114.96 1ohm n TRP 18 Ca -0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.58 1ohm n TRP 18 Cb 0.60 0.00 0.75 0.00 -2.42 0.00 0.00 31.31 30.24 1ohm n TRP 18 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1ohm h GLY 19 N 0.00 0.00 1.05 6.99 0.00 -1.98 0.32 103.07 109.45 1ohm h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ohm h GLY 19 CO 0.00 0.00 0.59 -0.84 0.00 0.00 0.00 176.54 176.29 1ohm h THR 20 N 0.00 1.25 -0.46 4.70 2.02 -1.96 -0.91 112.91 117.56 1ohm h THR 20 Ca -0.00 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 1ohm h THR 20 Cb 0.24 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1ohm h THR 20 CO 0.01 0.26 -0.13 0.00 0.37 0.00 0.00 175.52 176.03 1ohm h ALA 21 N 1.36 0.63 -0.62 6.16 0.00 -1.33 -0.01 119.26 125.46 1ohm h ALA 21 Ca 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ohm h ALA 21 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1ohm h ALA 21 CO -0.07 0.55 0.38 0.82 0.00 0.00 0.00 179.25 180.92 1ohm h ILE 22 N 0.74 1.18 0.34 0.00 2.04 -1.38 -0.40 117.51 120.03 1ohm h ILE 22 Ca 0.11 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ohm h ILE 22 Cb 0.68 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1ohm h ILE 22 CO 0.05 0.18 -0.34 1.23 0.00 0.00 0.00 178.15 179.27 1ohm h GLY 23 N 0.84 -0.79 -0.10 5.37 0.00 -1.05 0.55 103.07 107.89 1ohm h GLY 23 Ca 0.22 0.39 0.06 0.00 0.00 0.00 0.00 47.33 48.00 1ohm h GLY 23 CO -0.04 -0.29 -0.39 0.00 0.00 0.00 0.00 176.54 175.82 1ohm h ILE 25 N -0.38 0.00 -0.76 0.00 2.04 -1.07 -2.89 117.51 114.46 1ohm h ILE 25 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1ohm h ILE 25 Cb 0.58 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1ohm h ILE 25 CO -0.47 0.00 0.38 1.23 0.00 0.00 0.00 178.15 179.29 1ohm h GLY 26 N -0.76 1.17 0.92 5.37 0.00 -0.63 0.18 103.07 109.32 1ohm h GLY 26 Ca -0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1ohm h GLY 26 CO -0.11 0.54 -0.23 -0.57 0.00 0.00 0.00 176.54 176.17 1ohm h ASN 27 N 1.07 -0.54 1.17 0.19 -1.24 -1.39 -2.85 115.58 111.98 1ohm h ASN 27 Ca 0.26 -0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.17 1ohm h ASN 27 Cb 0.09 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1ohm h ASN 27 CO -0.04 -0.32 -0.38 0.78 -1.29 0.00 0.00 177.43 176.18 1ohm h ASN 28 N -0.73 0.00 0.29 1.15 2.35 -1.29 -2.49 115.58 114.86 1ohm h ASN 28 Ca -0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1ohm h ASN 28 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1ohm h ASN 28 CO 0.11 0.38 -0.33 0.00 -1.65 0.00 0.00 177.43 175.94 1ohm h ALA 29 N 1.62 -0.99 0.00 -0.83 0.00 -0.72 -2.46 119.26 115.88 1ohm h ALA 29 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ohm h ALA 29 Cb 1.07 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ohm h ALA 29 CO 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 179.25 178.27 1ohm h ALA 30 N -1.17 1.43 -0.56 0.00 0.00 -1.38 0.31 119.26 117.90 1ohm h ALA 30 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ohm h ALA 30 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ohm h ALA 30 CO -0.06 0.01 0.11 0.00 0.00 0.00 0.00 179.25 179.30 1ohm h ALA 31 N 1.99 0.74 0.13 0.00 0.00 -1.34 -3.37 119.26 117.41 1ohm h ALA 31 Ca -0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 54.91 54.31 1ohm h ALA 31 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ohm h ALA 31 CO 0.00 0.47 -1.98 -0.91 0.00 0.00 0.00 179.25 176.83 1ohm h ASN 32 N 0.81 0.43 0.00 0.00 -0.26 -0.45 -3.51 115.58 112.60 1ohm h ASN 32 Ca 0.17 -0.96 0.00 0.00 -0.56 0.00 0.00 56.30 54.95 1ohm h ASN 32 Cb 0.39 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1ohm h ASN 32 CO 0.01 1.86 0.00 1.87 -1.06 0.00 0.00 177.43 180.11 1ohm n TRP 33 N -3.49 0.00 0.00 1.19 -0.00 0.88 -4.66 117.44 111.35 1ohm n TRP 33 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.19 1ohm n TRP 33 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.36 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 0.30 -3.03 5.87 0.00 -1.22 -3.81 120.51 118.61 1ohm n ALA 34 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ohm n ALA 34 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ohm n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ohm n THR 35 N -0.21 -0.49 -1.00 0.00 -2.24 -1.26 -4.75 114.28 104.33 1ohm n THR 35 Ca 0.00 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 1ohm n THR 35 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1ohm n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ohm n GLY 36 N 2.00 0.54 2.83 3.38 0.00 -1.26 -0.75 105.19 111.92 1ohm n GLY 36 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.68 0.16 0.00 -0.02 0.00 -1.26 -0.86 105.19 100.52 1ohm n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ohm n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ohm n ASN 38 N -0.64 0.00 0.00 1.61 0.23 0.07 -4.88 115.26 111.65 1ohm n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ohm n ASN 38 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1ohm n ASN 38 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ohm n ALA 39 N 0.00 0.00 0.32 -2.53 0.00 -1.16 -5.03 120.51 112.11 1ohm n ALA 39 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ohm n ALA 39 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 -0.53 0.05 0.00 0.00 -0.04 -2.47 105.19 102.20 1ohm n GLY 40 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.01 0.00 1.61 0.09 -1.88 -3.46 115.95 112.32 1ohm h TRP 41 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1ohm h TRP 41 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.31 1ohm h TRP 41 CO 0.00 0.36 0.00 0.27 0.09 0.00 0.00 178.44 179.16 1ohm n ASN 42 N -4.91 0.00 -2.87 0.11 0.23 -1.20 -4.90 115.26 101.71 1ohm n ASN 42 Ca -0.08 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.67 1ohm n ASN 42 Cb 0.19 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.80 1ohm n ASN 42 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ohm n LYS 43 N 0.00 0.00 0.00 -3.83 2.85 -1.03 -5.20 118.16 110.95 1ohm n LYS 43 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 1ohm n LYS 43 Cb 0.00 -0.97 0.20 0.00 -0.65 0.00 0.00 35.03 33.60 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35