#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivo s PRO 7 N -2.46 -0.23 0.53 0.00 0.02 -1.26 -4.81 135.00 126.79 1ivo s PRO 7 Ca 0.52 1.11 0.20 0.00 0.02 0.00 0.00 61.00 62.86 1ivo s PRO 7 Cb -0.14 -1.61 1.35 0.00 0.02 0.00 0.00 34.50 34.11 1ivo s PRO 7 CO 0.19 -3.34 2.09 1.25 -0.33 0.00 0.00 177.00 176.86 1ivo h LEU 8 N -2.36 0.00 0.22 -5.54 5.85 -1.96 -2.36 115.31 109.15 1ivo h LEU 8 Ca -0.55 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1ivo h LEU 8 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ivo h LEU 8 CO 0.47 0.00 -0.10 0.77 -0.34 0.00 0.00 178.44 179.24 1ivo h SER 9 N 0.00 -0.24 0.00 1.25 4.64 -2.04 -2.39 113.55 114.76 1ivo h SER 9 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ivo h SER 9 Cb 0.41 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1ivo h SER 9 CO -0.00 -0.17 0.00 1.41 -0.87 0.00 0.00 176.83 177.20 1ivo n HIS 10 N -2.81 0.00 -2.03 4.77 8.25 -1.06 -4.55 115.22 117.78 1ivo n HIS 10 Ca -0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1ivo n HIS 10 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 1ivo n HIS 10 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ivo s ASP 11 N -1.96 5.75 0.00 0.41 2.15 -0.90 -0.52 116.67 121.59 1ivo s ASP 11 Ca 0.02 1.02 0.00 0.00 0.43 0.00 0.00 52.55 54.02 1ivo s ASP 11 Cb 0.01 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1ivo s ASP 11 CO 0.02 -1.87 0.00 0.61 -0.17 0.00 0.00 175.17 173.76 1ivo n GLY 12 N 5.47 0.95 0.11 2.66 0.00 -1.26 -5.00 105.19 108.11 1ivo n GLY 12 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1ivo n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ivo h TYR 13 N 0.00 -0.17 -3.52 1.61 -0.00 -1.10 -3.41 116.97 110.38 1ivo h TYR 13 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.73 58.13 1ivo h TYR 13 Cb 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 36.73 36.68 1ivo h TYR 13 CO 0.00 -0.11 -0.14 0.00 -0.00 0.00 0.00 178.16 177.92 1ivo n LEU 15 N 4.82 0.00 -3.91 0.00 4.77 -0.44 -4.08 117.00 118.16 1ivo n LEU 15 Ca -0.07 -1.66 -0.35 0.00 -0.03 0.00 0.00 56.01 53.90 1ivo n LEU 15 Cb 0.51 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1ivo n LEU 15 CO 0.40 -1.08 -0.17 1.41 -1.33 0.00 0.00 177.39 176.62 1ivo n HIS 16 N -3.03 -1.64 -2.50 -1.77 8.25 -1.26 -1.37 115.22 111.90 1ivo n HIS 16 Ca 0.15 0.40 -0.08 0.00 -0.26 0.00 0.00 57.72 57.92 1ivo n HIS 16 Cb 0.52 -3.24 -0.00 0.00 1.12 0.00 0.00 29.99 28.39 1ivo n HIS 16 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ivo n ASP 17 N -2.59 -2.85 -4.86 0.41 9.92 -1.26 -4.39 116.55 110.94 1ivo n ASP 17 Ca -0.16 0.28 -0.31 0.00 -0.53 0.00 0.00 54.79 54.07 1ivo n ASP 17 Cb 0.61 -2.47 -0.02 0.00 -0.64 0.00 0.00 41.12 38.59 1ivo n ASP 17 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ivo s GLY 18 N -2.04 1.93 -0.12 0.44 0.00 -0.48 -4.61 107.32 102.44 1ivo s GLY 18 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1ivo s GLY 18 CO 0.02 0.25 -0.08 -1.34 0.00 0.00 0.00 173.10 171.94 1ivo s VAL 19 N -2.67 3.50 0.36 1.40 -7.23 -1.21 -4.68 120.40 109.86 1ivo s VAL 19 Ca 0.56 -0.52 -0.25 0.00 -1.81 0.00 0.00 61.98 59.96 1ivo s VAL 19 Cb -0.10 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 1ivo s VAL 19 CO 0.36 0.53 1.01 0.00 -0.31 0.00 0.00 175.10 176.70 1ivo s MET 21 N -2.20 0.37 -0.36 0.00 0.23 -0.34 -4.59 119.30 112.42 1ivo s MET 21 Ca 0.53 -0.71 -0.11 0.00 -1.03 0.00 0.00 55.69 54.37 1ivo s MET 21 Cb -0.22 0.08 0.01 0.00 -1.53 0.00 0.00 34.83 33.17 1ivo s MET 21 CO 0.28 -0.05 0.21 -0.47 -2.03 0.00 0.00 175.02 172.96 1ivo s TYR 22 N -1.78 3.22 -1.26 3.16 5.04 -1.26 -1.11 117.35 123.36 1ivo s TYR 22 Ca -0.12 -0.68 -0.19 0.00 -2.44 0.00 0.00 57.07 53.63 1ivo s TYR 22 Cb -0.08 -2.44 0.04 0.00 0.35 0.00 0.00 41.96 39.83 1ivo s TYR 22 CO -0.02 -0.54 1.76 0.42 -1.34 0.00 0.00 175.55 175.83 1ivo s ILE 23 N 1.61 3.99 0.32 3.14 -1.09 0.43 -4.79 121.20 124.82 1ivo s ILE 23 Ca 0.04 -1.66 0.10 0.00 -2.23 0.00 0.00 60.65 56.90 1ivo s ILE 23 Cb -0.18 -5.06 0.31 0.00 -1.58 0.00 0.00 42.46 35.95 1ivo s ILE 23 CO 0.08 -1.82 1.71 1.05 -1.23 0.00 0.00 174.94 174.73 1ivo h GLU 24 N 8.12 0.50 -0.20 2.79 9.09 -1.95 1.08 114.58 134.02 1ivo h GLU 24 Ca 0.39 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.76 1ivo h GLU 24 Cb 0.89 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 1ivo h GLU 24 CO 1.41 0.33 0.07 0.00 0.05 0.00 0.00 179.01 180.87 1ivo h ALA 25 N 1.76 1.76 0.00 1.06 0.00 -1.96 -2.73 119.26 119.15 1ivo h ALA 25 Ca 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1ivo h ALA 25 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ivo h ALA 25 CO -0.51 0.19 -0.01 1.28 0.00 0.00 0.00 179.25 180.21 1ivo n LEU 26 N -4.45 2.06 -3.65 0.00 4.77 0.38 -5.03 117.00 111.08 1ivo n LEU 26 Ca -0.00 -2.34 -0.23 0.00 -0.03 0.00 0.00 56.01 53.41 1ivo n LEU 26 Cb 0.12 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1ivo n LEU 26 CO 0.35 0.56 -0.24 -0.67 -1.33 0.00 0.00 177.39 176.07 1ivo n ASP 27 N -0.82 -4.34 -3.08 -1.43 4.64 0.35 -4.95 116.55 106.91 1ivo n ASP 27 Ca 0.06 -0.84 -0.12 0.00 -1.38 0.00 0.00 54.79 52.51 1ivo n ASP 27 Cb 0.40 -1.43 -0.01 0.00 -1.04 0.00 0.00 41.12 39.04 1ivo n ASP 27 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1ivo s LYS 28 N -4.51 2.08 -0.08 -0.67 -0.14 -1.13 -4.98 119.74 110.32 1ivo s LYS 28 Ca 0.03 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.05 1ivo s LYS 28 Cb -0.00 0.54 0.02 0.00 -1.68 0.00 0.00 37.83 36.70 1ivo s LYS 28 CO 0.81 -0.92 -0.09 0.71 -0.76 0.00 0.00 175.35 175.09 1ivo s TYR 29 N -2.67 1.30 0.29 3.18 1.51 -1.26 -0.43 117.35 119.27 1ivo s TYR 29 Ca 0.23 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1ivo s TYR 29 Cb -0.03 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1ivo s TYR 29 CO 0.16 -0.33 0.08 0.00 -1.11 0.00 0.00 175.55 174.34 1ivo n ALA 30 N 4.23 0.37 -2.55 3.71 0.00 -0.27 -4.94 120.51 121.06 1ivo n ALA 30 Ca -0.20 -1.43 -0.32 0.00 0.00 0.00 0.00 53.44 51.49 1ivo n ALA 30 Cb 0.51 0.92 -0.14 0.00 0.00 0.00 0.00 19.45 20.74 1ivo n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivo n ASN 32 N 2.57 5.89 -4.64 0.00 2.85 -0.06 -4.96 115.26 116.92 1ivo n ASN 32 Ca -0.17 -3.40 -0.43 0.00 -0.11 0.00 0.00 54.58 50.47 1ivo n ASN 32 Cb 0.52 -1.17 -0.00 0.00 1.24 0.00 0.00 39.78 40.37 1ivo n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ivo s VAL 34 N -1.14 2.57 0.22 0.00 -7.23 -1.26 -4.88 120.40 108.68 1ivo s VAL 34 Ca 0.59 0.29 -0.32 0.00 -1.81 0.00 0.00 61.98 60.73 1ivo s VAL 34 Cb -0.60 -2.89 -0.13 0.00 0.56 0.00 0.00 36.38 33.33 1ivo s VAL 34 CO 0.60 -0.14 1.55 0.52 -0.31 0.00 0.00 175.10 177.32 1ivo n VAL 35 N -2.43 0.49 0.00 1.32 0.31 -1.26 -2.76 118.33 113.99 1ivo n VAL 35 Ca 0.13 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ivo n VAL 35 Cb 0.50 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1ivo n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ivo n GLY 36 N 2.87 2.30 3.30 2.92 0.00 -1.26 -5.09 105.19 110.24 1ivo n GLY 36 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1ivo n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ivo s TYR 37 N -2.28 2.42 0.35 1.61 1.51 -1.11 -0.76 117.35 119.10 1ivo s TYR 37 Ca 0.00 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 1ivo s TYR 37 Cb 0.00 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.21 1ivo s TYR 37 CO 0.00 -0.12 -0.01 0.96 -1.11 0.00 0.00 175.55 175.27 1ivo s ILE 38 N -0.37 1.77 0.00 2.71 -4.36 -0.23 -4.77 121.20 115.96 1ivo s ILE 38 Ca 0.03 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1ivo s ILE 38 Cb -0.12 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.82 1ivo s ILE 38 CO 0.02 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.70 1ivo n GLY 39 N -0.78 2.66 0.51 6.27 0.00 -1.26 -2.49 105.19 110.10 1ivo n GLY 39 Ca -0.04 -1.71 0.33 0.00 0.00 0.00 0.00 46.02 44.59 1ivo n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ivo h GLU 40 N 0.00 0.00 -0.01 1.61 5.08 -1.99 0.43 114.58 119.70 1ivo h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ivo h GLU 40 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ivo h GLU 40 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1ivo n ARG 41 N -3.99 2.59 -3.47 2.33 1.74 -1.26 -4.34 116.66 110.27 1ivo n ARG 41 Ca 0.23 -1.79 -0.22 0.00 -0.77 0.00 0.00 57.85 55.30 1ivo n ARG 41 Cb 1.20 -1.14 0.07 0.00 -1.02 0.00 0.00 32.46 31.57 1ivo n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ivo h GLN 43 N -2.41 0.78 -5.88 0.00 -0.00 -1.73 -3.42 115.11 102.46 1ivo h GLN 43 Ca -0.52 -0.54 -0.63 0.00 -0.00 0.00 0.00 58.65 56.97 1ivo h GLN 43 Cb 1.34 0.08 -0.06 0.00 -0.00 0.00 0.00 27.48 28.84 1ivo h GLN 43 CO 0.51 1.16 -0.29 0.71 -0.00 0.00 0.00 178.83 180.92 1ivo s TYR 44 N -4.00 3.68 0.35 0.06 1.51 -1.04 -4.98 117.35 112.93 1ivo s TYR 44 Ca -0.11 0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 56.54 1ivo s TYR 44 Cb 0.09 -2.18 -0.10 0.00 -0.11 0.00 0.00 41.96 39.66 1ivo s TYR 44 CO 0.88 0.66 0.96 0.50 -1.11 0.00 0.00 175.55 177.44 1ivo s ARG 45 N -1.01 4.47 0.00 -0.62 6.06 -1.26 -1.06 118.95 125.53 1ivo s ARG 45 Ca 0.21 1.32 -0.05 0.00 -2.50 0.00 0.00 55.73 54.71 1ivo s ARG 45 Cb -0.15 -2.66 -0.22 0.00 0.06 0.00 0.00 34.95 31.98 1ivo s ARG 45 CO 0.10 0.17 3.18 -3.47 -2.50 0.00 0.00 175.30 172.79 1ivo n ASP 46 N 0.27 4.70 -0.00 -2.12 4.64 0.06 -4.78 116.55 119.33 1ivo n ASP 46 Ca 0.03 -2.37 0.00 0.00 -1.38 0.00 0.00 54.79 51.07 1ivo n ASP 46 Cb 0.51 -1.25 0.00 0.00 -1.04 0.00 0.00 41.12 39.34 1ivo n ASP 46 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1ivo n LEU 47 N 2.47 -0.00 -1.55 -2.67 4.77 -1.26 -1.04 117.00 117.72 1ivo n LEU 47 Ca 0.35 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ivo n LEU 47 Cb 0.79 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1ivo n LEU 47 CO 0.12 -0.01 0.81 2.29 -1.33 0.00 0.00 177.39 179.28 1ivo n LYS 48 N -3.92 0.83 0.00 3.23 2.85 -1.26 -4.30 118.16 115.60 1ivo n LYS 48 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ivo n LYS 48 Cb 0.00 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1ivo n LYS 48 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1ivo n TRP 49 N 1.52 0.00 -4.46 5.58 5.03 -0.20 -5.17 117.44 119.74 1ivo n TRP 49 Ca 0.00 0.00 -0.23 0.00 3.03 0.00 0.00 57.50 60.30 1ivo n TRP 49 Cb 0.42 0.00 -0.10 0.00 -1.03 0.00 0.00 31.31 30.59 1ivo n TRP 49 CO 0.00 0.00 0.00 1.67 -0.03 0.00 0.00 177.69 179.33 1ivo s TRP 50 N 0.16 2.14 0.00 -5.99 -2.14 -1.26 -5.17 118.94 106.67 1ivo s TRP 50 Ca 0.00 -0.52 0.00 0.00 2.66 0.00 0.00 56.10 58.24 1ivo s TRP 50 Cb 0.00 -1.11 0.00 0.00 -3.10 0.00 0.00 33.47 29.26 1ivo s TRP 50 CO 0.00 0.50 0.00 0.39 -2.66 0.00 0.00 176.95 175.18