#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 0.01 5.64 4.01 -1.26 -5.03 117.16 120.53 1ohm n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ohm n TYR 2 Cb 0.00 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 37.94 1ohm n TYR 2 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1ohm n TYR 3 N 0.14 -0.19 -1.01 -0.72 9.36 -1.26 -5.09 117.16 118.39 1ohm n TYR 3 Ca 0.00 0.03 -0.00 0.00 3.32 0.00 0.00 57.90 61.25 1ohm n TYR 3 Cb 0.00 0.39 -0.00 0.00 -0.63 0.00 0.00 39.34 39.10 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 1.98 0.47 0.37 2.98 0.00 -1.26 -4.88 105.19 104.84 1ohm n GLY 4 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 0.43 2.81 0.00 1.61 5.15 -1.26 -5.07 115.26 118.93 1ohm n ASN 5 Ca -0.00 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.21 1ohm n ASN 5 Cb 0.04 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 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 -0.79 0.77 0.14 8.20 0.00 -1.26 -5.16 105.19 107.09 1ohm n GLY 6 Ca 0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 1ohm n GLY 6 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ohm n VAL 7 N 9.00 0.05 -4.29 1.61 3.14 -1.26 -4.65 118.33 121.93 1ohm n VAL 7 Ca 0.00 -0.01 -0.28 0.00 -2.96 0.00 0.00 64.34 61.09 1ohm n VAL 7 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1ohm n VAL 7 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1ohm s HIS 8 N -0.03 2.60 -0.03 1.45 0.09 0.13 -4.54 115.29 114.97 1ohm s HIS 8 Ca 0.03 -0.23 -0.03 0.00 -0.00 0.00 0.00 55.06 54.83 1ohm s HIS 8 Cb -0.04 -1.31 0.01 0.00 -0.00 0.00 0.00 32.58 31.24 1ohm s HIS 8 CO 0.02 0.48 0.08 0.00 -0.00 0.00 0.00 174.74 175.32 1ohm n GLY 10 N 2.95 1.33 0.19 0.00 0.00 -1.26 -3.15 105.19 105.24 1ohm n GLY 10 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.19 0.00 1.61 4.76 -1.26 -3.06 118.16 120.01 1ohm n LYS 11 Ca 0.00 -0.77 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1ohm n LYS 11 Cb 0.00 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 0.24 0.00 -0.11 2.13 -0.00 -1.26 -5.00 115.22 111.23 1ohm n HIS 12 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1ohm n HIS 12 Cb 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 1ohm n HIS 12 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ohm n SER 13 N -1.02 0.11 -2.82 0.26 7.64 -1.26 -5.12 113.62 111.40 1ohm n SER 13 Ca 0.00 -0.41 -0.01 0.00 1.01 0.00 0.00 58.87 59.46 1ohm n SER 13 Cb 0.00 0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1ohm n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ohm n THR 15 N 1.17 0.66 -4.13 0.00 -2.24 0.13 -4.91 114.28 104.96 1ohm n THR 15 Ca -0.08 0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 1ohm n THR 15 Cb 0.23 -1.47 -0.16 0.00 -2.10 0.00 0.00 70.33 66.84 1ohm n THR 15 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ohm s VAL 16 N -2.00 0.46 0.00 2.28 1.01 -1.19 -4.82 120.40 116.14 1ohm s VAL 16 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1ohm s VAL 16 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1ohm s VAL 16 CO 0.00 0.20 0.00 -0.67 0.00 0.00 0.00 175.10 174.63 1ohm n ASP 17 N 4.00 2.98 0.00 3.32 2.03 -1.26 -0.69 116.55 126.92 1ohm n ASP 17 Ca -0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1ohm n ASP 17 Cb 0.51 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1ohm n ASP 17 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1ohm n TRP 18 N -1.27 0.00 -0.14 -0.67 4.27 -1.26 -2.16 117.44 116.22 1ohm n TRP 18 Ca 0.00 0.00 0.26 0.00 -3.89 0.00 0.00 57.50 53.87 1ohm n TRP 18 Cb 0.22 -0.21 0.70 0.00 -1.36 0.00 0.00 31.31 30.66 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 0.00 0.09 0.94 -1.67 0.00 -1.95 -0.87 103.07 99.60 1ohm h GLY 19 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1ohm h GLY 19 CO 0.00 -0.00 0.48 -0.91 0.00 0.00 0.00 176.54 176.11 1ohm h THR 20 N 0.04 1.15 -0.49 4.70 1.35 -1.86 -0.86 112.91 116.93 1ohm h THR 20 Ca 0.39 -0.33 -0.06 0.00 -0.55 0.00 0.00 66.41 65.86 1ohm h THR 20 Cb 1.49 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1ohm h THR 20 CO -0.02 0.17 0.09 0.00 -0.25 0.00 0.00 175.52 175.51 1ohm h ALA 21 N 1.29 0.65 -0.15 6.62 0.00 -1.41 0.38 119.26 126.64 1ohm h ALA 21 Ca 0.29 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ohm h ALA 21 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ohm h ALA 21 CO -0.09 0.38 0.01 0.82 0.00 0.00 0.00 179.25 180.37 1ohm h ILE 22 N 0.68 0.91 -0.85 0.00 2.04 -1.31 -1.28 117.51 117.70 1ohm h ILE 22 Ca 0.15 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1ohm h ILE 22 Cb 0.38 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1ohm h ILE 22 CO 0.01 0.01 0.45 1.23 0.00 0.00 0.00 178.15 179.85 1ohm h GLY 23 N 0.06 1.29 0.99 5.37 0.00 -0.98 0.98 103.07 110.77 1ohm h GLY 23 Ca 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1ohm h GLY 23 CO -0.11 0.58 -0.11 0.00 0.00 0.00 0.00 176.54 176.89 1ohm h ILE 25 N -0.34 0.67 -0.43 0.00 5.03 -1.14 -2.84 117.51 118.47 1ohm h ILE 25 Ca -0.03 -0.06 -0.12 0.00 -0.12 0.00 0.00 64.86 64.53 1ohm h ILE 25 Cb 0.26 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 1ohm h ILE 25 CO 0.05 0.03 -0.19 1.23 -0.68 0.00 0.00 178.15 178.60 1ohm h GLY 26 N 0.17 0.95 1.00 5.37 0.00 -0.44 0.19 103.07 110.31 1ohm h GLY 26 Ca 0.25 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1ohm h GLY 26 CO -0.37 0.77 -0.16 -0.57 0.00 0.00 0.00 176.54 176.21 1ohm h ASN 27 N 0.70 -0.38 1.08 0.19 -1.24 -1.15 -2.86 115.58 111.92 1ohm h ASN 27 Ca 0.10 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 1ohm h ASN 27 Cb 0.75 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 1ohm h ASN 27 CO 0.06 -0.27 -0.25 0.78 -1.29 0.00 0.00 177.43 176.46 1ohm h ASN 28 N -0.44 0.00 0.35 1.15 2.35 -1.42 -2.72 115.58 114.85 1ohm h ASN 28 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1ohm h ASN 28 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1ohm h ASN 28 CO 0.07 0.25 -0.30 0.00 -1.65 0.00 0.00 177.43 175.80 1ohm h ALA 29 N 1.75 -0.66 0.00 -0.83 0.00 -0.60 -0.67 119.26 118.25 1ohm h ALA 29 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ohm h ALA 29 Cb 0.85 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ohm h ALA 29 CO 0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 179.25 178.24 1ohm h ALA 30 N -0.12 1.39 -0.26 0.00 0.00 -1.26 0.23 119.26 119.24 1ohm h ALA 30 Ca -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1ohm h ALA 30 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ohm h ALA 30 CO -0.03 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.41 1ohm h ALA 31 N 1.86 0.35 0.32 0.00 0.00 -1.37 -3.33 119.26 117.09 1ohm h ALA 31 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ohm h ALA 31 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ohm h ALA 31 CO 0.02 0.08 -0.15 -0.91 0.00 0.00 0.00 179.25 178.29 1ohm h ASN 32 N 0.24 -0.36 0.00 0.00 -0.26 -0.19 -3.50 115.58 111.52 1ohm h ASN 32 Ca 0.07 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1ohm h ASN 32 Cb 0.41 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1ohm h ASN 32 CO 0.01 -0.07 0.00 1.87 -1.06 0.00 0.00 177.43 178.18 1ohm n TRP 33 N -5.18 0.00 -1.31 1.19 -0.00 0.73 -4.43 117.44 108.44 1ohm n TRP 33 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 1ohm n TRP 33 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 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 -0.11 0.99 0.00 5.87 0.00 -1.12 -4.02 120.51 122.13 1ohm n ALA 34 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ohm n ALA 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.90 114.28 105.88 1ohm n THR 35 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ohm n THR 35 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.06 0.83 0.36 3.38 0.00 -1.26 -5.04 105.19 103.52 1ohm n GLY 36 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.71 -6.14 -0.02 0.00 -1.93 -3.37 103.07 93.31 1ohm h GLY 37 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1ohm h GLY 37 CO 0.00 -0.04 -0.47 0.21 0.00 0.00 0.00 176.54 176.25 1ohm s ASN 38 N -5.46 -0.66 0.63 0.19 3.04 -1.26 -5.03 114.94 106.38 1ohm s ASN 38 Ca -0.11 -0.24 0.42 0.00 0.04 0.00 0.00 52.86 52.97 1ohm s ASN 38 Cb 0.25 1.57 2.17 0.00 -1.54 0.00 0.00 41.25 43.70 1ohm s ASN 38 CO 0.80 -0.31 2.26 0.00 -3.04 0.00 0.00 177.10 176.82 1ohm h ALA 39 N 7.92 1.00 0.00 1.71 0.00 -1.99 -2.05 119.26 125.84 1ohm h ALA 39 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ohm h ALA 39 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ohm h ALA 39 CO 0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1ohm n GLY 40 N -0.88 0.00 0.30 0.00 0.00 -1.26 -2.52 105.19 100.83 1ohm n GLY 40 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.64 0.00 1.61 0.09 -1.78 -3.44 115.95 113.07 1ohm h TRP 41 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1ohm h TRP 41 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.16 29.09 1ohm h TRP 41 CO 0.00 0.07 0.00 0.27 0.09 0.00 0.00 178.44 178.87 1ohm n ASN 42 N -4.97 0.00 -0.93 0.11 6.94 -1.24 -5.11 115.26 110.06 1ohm n ASN 42 Ca 0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.61 1ohm n ASN 42 Cb 0.49 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.89 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 -1.05 -5.12 118.16 111.01 1ohm n LYS 43 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1ohm n LYS 43 Cb 0.00 -0.33 0.65 0.00 -0.65 0.00 0.00 35.03 34.70 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35