#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 -1.09 5.64 0.18 -1.26 -5.11 117.16 115.52 1ohm n TYR 2 Ca 0.00 -0.55 -0.47 0.00 1.88 0.00 0.00 57.90 58.76 1ohm n TYR 2 Cb 0.00 -0.11 -0.08 0.00 -0.38 0.00 0.00 39.34 38.76 1ohm n TYR 2 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ohm n TYR 3 N -0.59 1.06 0.00 -3.48 9.36 -1.26 -4.94 117.16 117.31 1ohm n TYR 3 Ca 0.08 0.70 0.00 0.00 3.32 0.00 0.00 57.90 62.00 1ohm n TYR 3 Cb 0.72 -1.67 0.00 0.00 -0.63 0.00 0.00 39.34 37.76 1ohm n TYR 3 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ohm n GLY 4 N 4.35 -0.06 0.00 2.98 0.00 -1.26 -4.97 105.19 106.23 1ohm n GLY 4 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.69 0.00 0.00 1.61 5.15 -1.26 -5.00 115.26 114.07 1ohm n ASN 5 Ca 0.00 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1ohm n ASN 5 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ohm n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ohm n GLY 6 N 0.00 0.00 3.73 8.20 0.00 -1.26 -5.08 105.19 110.78 1ohm n GLY 6 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.98 2.66 -0.41 1.61 1.01 -1.26 -4.25 120.40 118.77 1ohm s VAL 7 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1ohm s VAL 7 Cb 0.00 -2.63 0.17 0.00 0.00 0.00 0.00 36.38 33.93 1ohm s VAL 7 CO 0.00 -0.24 0.57 -1.38 0.00 0.00 0.00 175.10 174.06 1ohm s HIS 8 N -2.49 -1.35 0.06 5.22 -3.43 -1.26 -4.89 115.29 107.14 1ohm s HIS 8 Ca 0.67 -0.10 -0.04 0.00 -0.80 0.00 0.00 55.06 54.79 1ohm s HIS 8 Cb -0.23 0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 31.03 1ohm s HIS 8 CO 0.51 -1.13 0.07 0.00 -2.00 0.00 0.00 174.74 172.19 1ohm n GLY 10 N 0.28 0.65 0.35 0.00 0.00 -1.26 -1.65 105.19 103.57 1ohm n GLY 10 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.70 0.00 1.61 4.76 -1.26 -3.96 118.16 121.01 1ohm n LYS 11 Ca 0.00 -0.79 0.00 0.00 -2.87 0.00 0.00 58.31 54.65 1ohm n LYS 11 Cb 0.00 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1ohm n LYS 11 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1ohm n HIS 12 N -0.14 0.00 -3.47 2.13 -0.00 -1.26 -5.11 115.22 107.37 1ohm n HIS 12 Ca 0.06 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.97 1ohm n HIS 12 Cb 0.33 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.09 1ohm n HIS 12 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1ohm s SER 13 N 0.61 2.12 0.07 0.26 0.01 -1.26 -4.94 113.70 110.57 1ohm s SER 13 Ca 0.00 -3.01 0.00 0.00 1.31 0.00 0.00 55.95 54.25 1ohm s SER 13 Cb 0.00 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1ohm s SER 13 CO 0.00 -0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.46 1ohm n THR 15 N -2.86 0.00 -3.76 0.00 -2.24 -1.24 -4.96 114.28 99.22 1ohm n THR 15 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1ohm n THR 15 Cb 0.00 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 67.90 1ohm n THR 15 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ohm s VAL 16 N -0.89 -0.07 0.12 2.28 0.11 -1.26 -4.38 120.40 116.31 1ohm s VAL 16 Ca 0.00 0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 59.12 1ohm s VAL 16 Cb 0.00 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.71 1ohm s VAL 16 CO 0.00 0.10 1.69 -0.78 -3.33 0.00 0.00 175.10 172.77 1ohm h ASP 17 N 7.43 0.45 -0.12 3.54 1.82 -1.92 -3.11 116.42 124.50 1ohm h ASP 17 Ca -0.42 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1ohm h ASP 17 Cb 1.12 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1ohm h ASP 17 CO 0.44 0.46 0.00 -2.67 -1.61 0.00 0.00 179.24 175.86 1ohm n TRP 18 N -4.73 0.16 0.32 0.28 4.27 -1.26 -4.16 117.44 112.32 1ohm n TRP 18 Ca -0.01 -0.08 0.22 0.00 -3.89 0.00 0.00 57.50 53.74 1ohm n TRP 18 Cb 0.12 0.00 1.17 0.00 -1.36 0.00 0.00 31.31 31.24 1ohm n TRP 18 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1ohm h GLY 19 N 5.69 0.00 0.99 -1.67 0.00 -1.94 -1.82 103.07 104.32 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 0.30 -0.91 0.00 0.00 0.00 176.54 175.93 1ohm h THR 20 N 0.00 1.15 0.21 4.70 1.35 -1.85 0.59 112.91 119.07 1ohm h THR 20 Ca 0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1ohm h THR 20 Cb 0.01 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1ohm h THR 20 CO 0.00 0.15 -0.10 0.00 -0.25 0.00 0.00 175.52 175.32 1ohm h ALA 21 N 1.14 -0.29 0.00 6.62 0.00 -1.68 -0.77 119.26 124.28 1ohm h ALA 21 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ohm h ALA 21 Cb -0.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ohm h ALA 21 CO -0.03 -0.44 0.00 -0.84 0.00 0.00 0.00 179.25 177.94 1ohm h ILE 22 N -0.74 0.00 0.18 0.00 3.07 -1.58 -1.53 117.51 116.91 1ohm h ILE 22 Ca -0.03 -0.32 -0.32 0.00 1.55 0.00 0.00 64.86 65.74 1ohm h ILE 22 Cb 0.50 1.17 0.01 0.00 -0.27 0.00 0.00 36.82 38.23 1ohm h ILE 22 CO 0.05 0.00 -1.53 1.23 -1.05 0.00 0.00 178.15 176.85 1ohm h GLY 23 N 1.90 0.43 0.41 0.16 0.00 -0.86 0.54 103.07 105.65 1ohm h GLY 23 Ca 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 47.33 46.28 1ohm h GLY 23 CO 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 176.54 177.33 1ohm h ILE 25 N -0.21 0.22 -0.66 0.00 5.03 -1.37 -2.89 117.51 117.63 1ohm h ILE 25 Ca 0.10 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.92 1ohm h ILE 25 Cb 0.36 0.22 -0.07 0.00 -3.03 0.00 0.00 36.82 34.30 1ohm h ILE 25 CO -0.26 0.00 0.33 1.23 -0.68 0.00 0.00 178.15 178.76 1ohm h GLY 26 N -0.59 0.98 0.77 5.37 0.00 -0.43 0.19 103.07 109.35 1ohm h GLY 26 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1ohm h GLY 26 CO -0.24 0.07 -0.21 3.43 0.00 0.00 0.00 176.54 179.59 1ohm h ASN 27 N 0.58 -0.50 0.95 0.19 2.35 -1.38 -2.78 115.58 114.99 1ohm h ASN 27 Ca 0.32 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.89 1ohm h ASN 27 Cb 0.31 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1ohm h ASN 27 CO -0.25 -0.19 -0.46 0.78 -1.65 0.00 0.00 177.43 175.66 1ohm h ASN 28 N -0.82 0.00 0.00 5.81 2.35 -1.22 -2.47 115.58 119.23 1ohm h ASN 28 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ohm h ASN 28 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1ohm h ASN 28 CO 0.10 0.46 0.00 0.00 -1.65 0.00 0.00 177.43 176.34 1ohm n ALA 29 N -2.30 -0.29 0.32 -0.83 0.00 0.63 -2.53 120.51 115.51 1ohm n ALA 29 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ohm n ALA 29 Cb 0.59 0.10 0.19 0.00 0.00 0.00 0.00 19.45 20.32 1ohm n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ohm n ALA 30 N -1.79 1.43 0.41 0.00 0.00 -1.05 0.33 120.51 119.84 1ohm n ALA 30 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1ohm n ALA 30 Cb 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 1ohm n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ohm h ALA 31 N 2.32 -1.14 -1.56 0.00 0.00 -1.54 -3.45 119.26 113.89 1ohm h ALA 31 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1ohm h ALA 31 Cb 0.14 0.40 -0.26 0.00 0.00 0.00 0.00 17.79 18.07 1ohm h ALA 31 CO 0.00 -1.06 -0.56 -0.80 0.00 0.00 0.00 179.25 176.83 1ohm s ASN 32 N -3.99 0.03 0.24 0.00 0.01 0.10 -5.06 114.94 106.27 1ohm s ASN 32 Ca -0.15 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 1ohm s ASN 32 Cb 0.02 1.20 0.00 0.00 0.41 0.00 0.00 41.25 42.88 1ohm s ASN 32 CO 0.46 -0.27 0.00 -2.67 -1.51 0.00 0.00 177.10 173.11 1ohm n TRP 33 N 4.73 -3.02 -3.10 2.20 4.27 0.15 -2.54 117.44 120.13 1ohm n TRP 33 Ca 0.07 0.71 -0.20 0.00 -3.89 0.00 0.00 57.50 54.19 1ohm n TRP 33 Cb 0.50 1.89 -0.04 0.00 -1.36 0.00 0.00 31.31 32.30 1ohm n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ohm n ALA 34 N -3.05 1.64 -4.25 -1.67 0.00 -1.26 -3.35 120.51 108.58 1ohm n ALA 34 Ca 0.00 -3.01 -0.34 0.00 0.00 0.00 0.00 53.44 50.09 1ohm n ALA 34 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 1.32 -1.28 -0.91 0.00 -2.24 -1.26 -4.81 114.28 105.09 1ohm n THR 35 Ca 0.19 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ohm n THR 35 Cb 0.56 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 -1.71 0.96 0.14 3.38 0.00 -1.26 -4.90 105.19 101.80 1ohm n GLY 36 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ohm n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ohm h GLY 37 N 0.00 0.00 0.00 -0.02 0.00 -1.81 -3.44 103.07 97.80 1ohm h GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ohm h GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1ohm n ASN 38 N -3.70 0.00 0.00 0.19 0.23 -1.07 -4.86 115.26 106.05 1ohm n ASN 38 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1ohm n ASN 38 Cb 0.62 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 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 -2.36 0.00 0.69 -2.53 0.00 -1.26 -4.70 120.51 110.34 1ohm n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ohm n ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.34 -0.27 0.29 0.00 0.00 -1.26 -2.61 105.19 101.00 1ohm n GLY 40 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.07 -0.67 0.00 1.61 0.09 -1.96 -3.43 115.95 111.65 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 0.02 0.25 0.00 0.00 0.08 0.00 0.00 29.16 29.51 1ohm h TRP 41 CO 0.00 -0.38 0.00 0.27 0.09 0.00 0.00 178.44 178.42 1ohm n ASN 42 N -5.38 0.00 -1.72 0.11 0.23 -1.25 -5.09 115.26 102.15 1ohm n ASN 42 Ca -0.10 -0.86 -0.19 0.00 -0.53 0.00 0.00 54.58 52.90 1ohm n ASN 42 Cb 0.29 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.97 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 -1.07 -5.21 118.16 110.90 1ohm n LYS 43 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1ohm n LYS 43 Cb 0.22 -0.41 0.60 0.00 -0.65 0.00 0.00 35.03 34.79 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35