#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 0.04 5.58 4.01 -0.46 -4.94 117.16 121.39 1ohm n TYR 2 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1ohm n TYR 2 Cb 0.00 -1.06 -0.08 0.00 -0.31 0.00 0.00 39.34 37.89 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 -0.04 -5.44 -0.72 3.20 -1.70 -3.49 116.97 108.79 1ohm h TYR 3 Ca -0.06 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 1ohm h TYR 3 Cb 0.41 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1ohm h TYR 3 CO 0.22 0.11 -0.83 0.41 -1.64 0.00 0.00 178.16 176.43 1ohm n GLY 4 N -0.73 -2.39 0.19 1.82 0.00 -0.08 -5.02 105.19 98.97 1ohm n GLY 4 Ca -0.08 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 0.32 0.00 -0.01 1.61 2.85 -1.26 -5.00 115.26 113.77 1ohm n ASN 5 Ca 0.04 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.50 1ohm n ASN 5 Cb 0.28 -0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.29 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 3.76 -0.02 3.63 8.20 0.00 -1.26 -5.02 105.19 114.48 1ohm n GLY 6 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1ohm n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ohm s VAL 7 N -2.03 2.23 -0.37 1.61 0.11 -1.26 -2.23 120.40 118.46 1ohm s VAL 7 Ca -0.02 0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 1ohm s VAL 7 Cb 0.01 -2.21 0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1ohm s VAL 7 CO 0.03 -0.10 0.44 1.41 -3.33 0.00 0.00 175.10 173.55 1ohm n HIS 8 N -4.35 -1.72 0.00 1.54 8.25 -0.10 -3.45 115.22 115.39 1ohm n HIS 8 Ca 0.08 0.72 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 1ohm n HIS 8 Cb 0.53 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 30.30 1ohm n HIS 8 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ohm n GLY 10 N 3.02 0.34 0.34 0.00 0.00 -1.26 -1.36 105.19 106.28 1ohm n GLY 10 Ca 0.00 -1.49 0.20 0.00 0.00 0.00 0.00 46.02 44.73 1ohm n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ohm h LYS 11 N 0.00 0.00 0.00 1.61 3.64 -2.03 -1.76 116.57 118.03 1ohm h LYS 11 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ohm h LYS 11 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ohm h LYS 11 CO 0.00 0.00 0.00 1.58 -2.27 0.00 0.00 179.45 178.76 1ohm n HIS 12 N -3.18 0.00 -0.96 1.91 -0.00 -1.26 -4.93 115.22 106.80 1ohm n HIS 12 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1ohm n HIS 12 Cb 0.19 -0.49 0.00 0.00 -0.12 0.00 0.00 29.99 29.57 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 -1.49 -1.93 0.00 0.26 7.64 -0.66 -4.97 113.62 112.47 1ohm n SER 13 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ohm n SER 13 Cb 0.10 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 -0.15 0.00 -3.91 0.00 -1.04 -0.95 -4.45 114.28 103.77 1ohm n THR 15 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1ohm n THR 15 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1ohm n THR 15 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ohm s VAL 16 N 0.00 2.82 0.15 12.58 1.01 -1.25 -0.93 120.40 134.78 1ohm s VAL 16 Ca 0.00 -4.00 0.14 0.00 0.00 0.00 0.00 61.98 58.12 1ohm s VAL 16 Cb 0.00 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1ohm s VAL 16 CO 0.00 -0.94 1.59 -0.78 0.00 0.00 0.00 175.10 174.96 1ohm h ASP 17 N 5.73 0.00 0.00 3.32 3.58 -1.78 -3.40 116.42 123.87 1ohm h ASP 17 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1ohm h ASP 17 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1ohm h ASP 17 CO 0.71 0.56 0.00 -2.67 -2.88 0.00 0.00 179.24 174.96 1ohm n TRP 18 N -3.55 0.00 0.26 0.28 4.27 -1.26 -3.61 117.44 113.83 1ohm n TRP 18 Ca -0.00 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.74 1ohm n TRP 18 Cb 0.64 -0.01 0.65 0.00 -1.36 0.00 0.00 31.31 31.23 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 4.96 0.00 1.82 -1.67 0.00 -1.95 -0.79 103.07 105.43 1ohm h GLY 19 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ohm h GLY 19 CO 0.00 0.00 -0.24 -0.84 0.00 0.00 0.00 176.54 175.46 1ohm h THR 20 N 0.00 1.23 -0.56 4.70 2.02 -1.94 -1.69 112.91 116.66 1ohm h THR 20 Ca -0.00 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 1ohm h THR 20 Cb 0.52 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1ohm h THR 20 CO 0.02 0.32 0.04 0.00 0.37 0.00 0.00 175.52 176.27 1ohm h ALA 21 N 1.56 0.75 -0.61 6.16 0.00 -1.43 -0.36 119.26 125.33 1ohm h ALA 21 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ohm h ALA 21 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ohm h ALA 21 CO 0.04 0.55 0.39 0.82 0.00 0.00 0.00 179.25 181.05 1ohm h ILE 22 N 0.86 1.13 -0.28 0.00 1.08 -1.25 -0.65 117.51 118.39 1ohm h ILE 22 Ca 0.16 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1ohm h ILE 22 Cb 0.49 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1ohm h ILE 22 CO 0.02 0.15 0.12 1.23 -0.69 0.00 0.00 178.15 178.98 1ohm h GLY 23 N 0.80 0.44 0.24 5.37 0.00 -1.15 0.28 103.07 109.05 1ohm h GLY 23 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ohm h GLY 23 CO -0.06 0.22 -0.27 0.00 0.00 0.00 0.00 176.54 176.43 1ohm h ILE 25 N -0.51 0.71 -0.12 0.00 5.03 -1.17 -2.51 117.51 118.94 1ohm h ILE 25 Ca -0.03 -0.04 0.03 0.00 -0.12 0.00 0.00 64.86 64.71 1ohm h ILE 25 Cb 0.45 0.58 -0.04 0.00 -3.03 0.00 0.00 36.82 34.78 1ohm h ILE 25 CO -0.05 0.02 -0.11 1.23 -0.68 0.00 0.00 178.15 178.57 1ohm h GLY 26 N 0.12 -0.02 0.67 5.37 0.00 -0.91 0.17 103.07 108.48 1ohm h GLY 26 Ca 0.20 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1ohm h GLY 26 CO -0.32 -0.12 -0.10 -0.57 0.00 0.00 0.00 176.54 175.43 1ohm h ASN 27 N -0.12 -0.25 -0.12 0.19 -0.73 -1.51 -2.65 115.58 110.39 1ohm h ASN 27 Ca 0.08 -0.22 -0.20 0.00 1.87 0.00 0.00 56.30 57.83 1ohm h ASN 27 Cb 0.24 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.90 1ohm h ASN 27 CO -0.19 0.10 -0.69 0.78 -0.37 0.00 0.00 177.43 177.06 1ohm h ASN 28 N -0.62 0.87 -0.47 1.15 2.35 -1.28 -2.53 115.58 115.05 1ohm h ASN 28 Ca -0.03 -0.53 -0.07 0.00 -0.55 0.00 0.00 56.30 55.12 1ohm h ASN 28 Cb 0.45 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1ohm h ASN 28 CO 0.05 1.32 0.04 0.00 -1.65 0.00 0.00 177.43 177.19 1ohm h ALA 29 N 0.68 1.08 0.00 -0.83 0.00 -0.80 -1.96 119.26 117.43 1ohm h ALA 29 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ohm h ALA 29 Cb 1.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ohm h ALA 29 CO 0.14 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.94 1ohm h ALA 30 N 1.23 1.33 0.00 0.00 0.00 -1.13 0.36 119.26 121.06 1ohm h ALA 30 Ca 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ohm h ALA 30 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ohm h ALA 30 CO 0.02 0.05 -0.17 0.00 0.00 0.00 0.00 179.25 179.14 1ohm h ALA 31 N 1.96 0.91 -0.01 0.00 0.00 -1.04 -3.38 119.26 117.70 1ohm h ALA 31 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ohm h ALA 31 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ohm h ALA 31 CO 0.01 0.22 -0.25 0.09 0.00 0.00 0.00 179.25 179.31 1ohm n ASN 32 N -3.17 1.25 0.00 0.00 3.02 0.36 -5.06 115.26 111.67 1ohm n ASN 32 Ca 0.03 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1ohm n ASN 32 Cb 0.55 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1ohm n ASN 32 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1ohm n TRP 33 N -0.28 0.00 0.00 3.10 -0.00 0.10 -1.61 117.44 118.75 1ohm n TRP 33 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1ohm n TRP 33 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 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 -0.64 0.00 -3.19 5.87 0.00 -0.77 -4.22 120.51 117.57 1ohm n ALA 34 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1ohm n ALA 34 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.72 -0.43 -1.70 0.00 -2.24 -1.26 -4.52 114.28 103.41 1ohm n THR 35 Ca 0.00 -4.29 -0.01 0.00 -2.27 0.00 0.00 64.05 57.48 1ohm n THR 35 Cb 0.00 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 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 0.87 -1.77 0.00 3.38 0.00 -1.26 -4.87 105.19 101.54 1ohm n GLY 36 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.22 -0.41 3.69 -0.02 0.00 -0.63 -4.77 105.19 102.83 1ohm n GLY 37 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.82 -0.12 0.00 1.61 2.47 -1.26 -5.07 114.94 109.75 1ohm s ASN 38 Ca 0.00 -0.83 0.00 0.00 0.42 0.00 0.00 52.86 52.45 1ohm s ASN 38 Cb 0.00 0.65 0.00 0.00 -1.45 0.00 0.00 41.25 40.45 1ohm s ASN 38 CO 0.00 -1.24 0.04 0.00 -3.72 0.00 0.00 177.10 172.18 1ohm n ALA 39 N -0.42 0.80 1.01 1.71 0.00 -1.26 -4.87 120.51 117.47 1ohm n ALA 39 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 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 0.29 0.01 0.37 0.00 0.00 -1.26 -2.29 105.19 102.31 1ohm n GLY 40 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.15 -1.24 0.00 1.61 0.09 -1.97 -3.41 115.95 111.18 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 0.13 0.54 0.00 0.00 0.08 0.00 0.00 29.16 29.91 1ohm h TRP 41 CO 0.00 -0.45 -0.04 0.27 0.09 0.00 0.00 178.44 178.31 1ohm n ASN 42 N -4.81 0.00 -0.73 0.11 0.23 -1.26 -5.13 115.26 103.68 1ohm n ASN 42 Ca -0.06 -1.09 0.07 0.00 -0.53 0.00 0.00 54.58 52.97 1ohm n ASN 42 Cb 0.31 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 37.97 1ohm n ASN 42 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ohm n LYS 43 N 0.00 -1.06 0.00 -3.83 4.76 -0.97 -5.21 118.16 111.85 1ohm n LYS 43 Ca 0.00 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1ohm n LYS 43 Cb 0.52 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03