#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gis s GLU 1 N 0.00 3.94 0.02 -1.46 0.41 -1.26 -5.01 118.70 115.34 3gis s GLU 1 Ca 0.00 1.03 0.08 0.00 -0.41 0.00 0.00 54.97 55.67 3gis s GLU 1 Cb 0.00 -3.82 -0.02 0.00 -1.78 0.00 0.00 34.13 28.51 3gis s GLU 1 CO 0.00 -1.08 -0.23 -0.47 -0.49 0.00 0.00 175.26 172.99 3gis s TYR 1 N 4.07 2.06 -0.25 1.61 5.04 -1.26 -5.12 117.35 123.50 3gis s TYR 1 Ca 0.50 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.67 3gis s TYR 1 Cb -0.13 -1.27 -0.02 0.00 0.35 0.00 0.00 41.96 40.89 3gis s TYR 1 CO 0.21 0.05 0.05 -0.65 -1.34 0.00 0.00 175.55 173.87 3gis s GLN 1 N -0.92 3.55 1.30 4.97 -1.52 -1.26 -5.07 119.66 120.72 3gis s GLN 1 Ca 0.09 -0.54 -0.22 0.00 -1.95 0.00 0.00 55.36 52.75 3gis s GLN 1 Cb -0.09 -3.27 0.33 0.00 -0.22 0.00 0.00 33.01 29.76 3gis s GLN 1 CO 0.01 -0.21 0.99 0.25 -0.25 0.00 0.00 175.29 176.07 3gis n THR 1 N 4.89 0.00 0.00 -0.19 -2.24 -1.26 -5.08 114.28 110.41 3gis n THR 1 Ca -0.16 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3gis n THR 1 Cb 0.51 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 3gis n THR 1 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gis n PHE 1 N -5.21 0.00 -3.38 4.78 3.01 -1.26 -5.16 117.46 110.25 3gis n PHE 1 Ca 0.14 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 3gis n PHE 1 Cb 0.58 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.96 3gis n PHE 1 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3gis s ASN 1 N 0.00 6.18 0.65 4.37 3.84 -1.26 -4.96 114.94 123.75 3gis s ASN 1 Ca 0.00 -0.47 0.22 0.00 0.21 0.00 0.00 52.86 52.82 3gis s ASN 1 Cb 0.00 -2.20 1.14 0.00 -0.55 0.00 0.00 41.25 39.64 3gis s ASN 1 CO 0.00 -0.44 1.64 1.55 -2.79 0.00 0.00 177.10 177.06 3gis h PRO 1 N 8.58 0.00 -0.76 0.43 0.13 -1.94 0.82 132.00 139.27 3gis h PRO 1 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 3gis h PRO 1 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3gis h PRO 1 CO 0.73 0.00 0.28 -0.09 -0.23 0.00 0.00 178.00 178.69 3gis h ARG 1 N 0.00 1.15 0.00 0.86 2.43 -1.93 0.41 114.38 117.30 3gis h ARG 1 Ca 0.06 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 3gis h ARG 1 Cb 1.23 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3gis h ARG 1 CO -0.00 0.95 -1.84 0.25 -1.51 0.00 0.00 179.97 177.82 3gis n THR 1 N -4.27 0.48 0.09 0.20 -2.24 -0.40 -4.53 114.28 103.62 3gis n THR 1 Ca 0.07 -0.48 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 3gis n THR 1 Cb 0.20 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 3gis n THR 1 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3gis h PHE 1 N 0.00 0.00 0.00 4.78 3.57 -0.96 -3.50 116.94 120.83 3gis h PHE 1 Ca -0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3gis h PHE 1 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3gis h PHE 1 CO 0.00 0.33 0.00 0.41 -2.23 0.00 0.00 178.31 176.82 3gis n GLY 1 N 1.27 -2.49 3.96 2.40 0.00 0.13 -4.96 105.19 105.50 3gis n GLY 1 Ca -0.03 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 3gis n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gis s SER 1 N -2.80 6.28 0.00 1.61 1.04 -1.26 -4.27 113.70 114.30 3gis s SER 1 Ca 0.00 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3gis s SER 1 Cb 0.00 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.26 3gis s SER 1 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3gis n GLY 1 N -1.55 0.79 0.30 7.32 0.00 -1.26 -5.02 105.19 105.77 3gis n GLY 1 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3gis n GLY 1 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gis h GLU 1 N 0.00 0.71 -0.32 1.61 4.81 -1.96 -2.16 114.58 117.26 3gis h GLU 1 Ca 0.00 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3gis h GLU 1 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3gis h GLU 1 CO 0.00 0.47 0.22 0.00 -0.73 0.00 0.00 179.01 178.97 3gis h ALA 1 N 1.47 2.11 -0.27 2.92 0.00 -1.97 -2.02 119.26 121.50 3gis h ALA 1 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3gis h ALA 1 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gis h ALA 1 CO -0.27 -0.18 0.00 -3.47 0.00 0.00 0.00 179.25 175.32 3gis n ASP 1 N -4.47 3.85 -4.72 0.00 2.03 -0.86 -4.92 116.55 107.47 3gis n ASP 1 Ca 0.04 -2.94 -0.33 0.00 0.52 0.00 0.00 54.79 52.09 3gis n ASP 1 Cb 0.29 -0.52 0.11 0.00 -0.72 0.00 0.00 41.12 40.28 3gis n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gis n GLY 2 N 0.02 0.42 3.16 0.00 0.00 -1.26 -4.96 105.19 102.57 3gis n GLY 2 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3gis n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gis s LEU 3 N 0.00 4.68 -0.06 0.99 1.43 -1.23 -5.01 118.68 119.48 3gis s LEU 3 Ca 0.00 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.15 3gis s LEU 3 Cb 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3gis s LEU 3 CO 0.00 -0.42 1.39 -0.13 0.23 0.00 0.00 176.35 177.42 3gis s ARG 4 N 1.22 4.26 0.36 1.70 0.52 -1.26 -4.78 118.95 120.97 3gis s ARG 4 Ca 0.02 1.89 0.12 0.00 -0.52 0.00 0.00 55.73 57.24 3gis s ARG 4 Cb -0.21 -3.70 0.92 0.00 0.52 0.00 0.00 34.95 32.47 3gis s ARG 4 CO -0.02 -0.65 1.82 -1.35 0.02 0.00 0.00 175.30 175.12 3gis h PRO 5 N 8.20 0.57 -0.08 3.54 0.11 -1.97 -0.06 132.00 142.31 3gis h PRO 5 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3gis h PRO 5 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gis h PRO 5 CO 0.93 0.38 0.00 1.28 -0.21 0.00 0.00 178.00 180.37 3gis n LEU 6 N -4.62 1.28 0.00 2.35 4.32 -1.26 -4.09 117.00 114.98 3gis n LEU 6 Ca 0.21 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 3gis n LEU 6 Cb 0.64 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 3gis n LEU 6 CO 0.27 0.25 0.00 0.49 -1.22 0.00 0.00 177.39 177.17 3gis n PHE 7 N 0.04 0.00 -0.29 -1.77 3.72 -0.09 -4.75 117.46 114.31 3gis n PHE 7 Ca 0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.67 3gis n PHE 7 Cb 0.29 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.09 3gis n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3gis h GLU 8 N 0.00 0.45 0.00 -1.08 3.07 -1.49 0.35 114.58 115.88 3gis h GLU 8 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3gis h GLU 8 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3gis h GLU 8 CO 0.00 0.30 0.00 1.63 -1.40 0.00 0.00 179.01 179.54 3gis n LYS 9 N -5.00 0.09 -0.15 2.33 4.76 -0.86 -2.39 118.16 116.94 3gis n LYS 9 Ca 0.19 0.37 0.07 0.00 -2.87 0.00 0.00 58.31 56.07 3gis n LYS 9 Cb 0.54 -1.69 0.10 0.00 -1.84 0.00 0.00 35.03 32.14 3gis n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3gis n LYS 10 N -1.87 1.12 -3.53 1.97 5.02 0.11 -4.98 118.16 116.00 3gis n LYS 10 Ca 0.02 -2.17 -0.26 0.00 -2.02 0.00 0.00 58.31 53.88 3gis n LYS 10 Cb 0.18 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3gis n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3gis n SER 11 N -1.08 -4.16 -4.52 4.39 7.64 -0.11 -4.95 113.62 110.84 3gis n SER 11 Ca 0.12 -0.52 -0.30 0.00 1.01 0.00 0.00 58.87 59.18 3gis n SER 11 Cb 0.62 -3.40 -0.11 0.00 -1.01 0.00 0.00 64.21 60.32 3gis n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gis s LEU 12 N -6.75 2.81 0.12 -3.43 1.43 -0.25 -5.01 118.68 107.61 3gis s LEU 12 Ca 0.48 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.19 3gis s LEU 12 Cb -0.25 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gis s LEU 12 CO 0.59 0.19 -0.18 -1.61 0.23 0.00 0.00 176.35 175.57 3gis s GLU 13 N -2.09 1.78 0.77 1.70 2.02 -1.26 -3.67 118.70 117.96 3gis s GLU 13 Ca 0.19 -1.20 -0.10 0.00 0.02 0.00 0.00 54.97 53.88 3gis s GLU 13 Cb -0.11 -2.10 0.08 0.00 0.10 0.00 0.00 34.13 32.10 3gis s GLU 13 CO 0.11 0.47 1.11 0.16 0.02 0.00 0.00 175.26 177.13 3gis s ASP 14 N -2.20 4.57 0.48 -0.19 1.47 -1.26 -4.97 116.67 114.57 3gis s ASP 14 Ca 0.18 0.59 0.18 0.00 1.18 0.00 0.00 52.55 54.68 3gis s ASP 14 Cb -0.10 -1.13 1.20 0.00 -0.34 0.00 0.00 42.92 42.55 3gis s ASP 14 CO 0.10 -1.81 2.02 0.11 0.68 0.00 0.00 175.17 176.28 3gis h LYS 14 N -0.87 0.19 -0.03 2.11 1.57 -2.05 -3.18 116.57 114.31 3gis h LYS 14 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3gis h LYS 14 Cb 1.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3gis h LYS 14 CO 0.62 0.12 0.00 0.25 -0.57 0.00 0.00 179.45 179.87 3gis n THR 14 N -4.45 0.37 -0.13 -0.16 -2.24 -1.26 -4.74 114.28 101.66 3gis n THR 14 Ca 0.07 -0.68 -0.04 0.00 -2.27 0.00 0.00 64.05 61.13 3gis n THR 14 Cb 0.38 0.85 0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3gis n THR 14 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gis h GLU 14 N 0.45 0.04 -0.03 -0.78 4.81 -1.94 -1.37 114.58 115.76 3gis h GLU 14 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3gis h GLU 14 Cb 0.26 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3gis h GLU 14 CO 0.00 0.03 0.03 0.00 -0.73 0.00 0.00 179.01 178.34 3gis h ARG 14 N 0.04 0.00 -1.21 1.92 3.08 -1.85 -2.96 114.38 113.41 3gis h ARG 14 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3gis h ARG 14 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3gis h ARG 14 CO -0.41 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.58 3gis n GLU 14 N -3.93 0.19 0.00 0.04 2.13 -0.52 -0.78 120.64 117.77 3gis n GLU 14 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3gis n GLU 14 Cb 0.12 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.54 3gis n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gis n LEU 14 N 0.72 0.00 0.19 4.31 4.32 -1.12 -2.58 117.00 122.85 3gis n LEU 14 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 3gis n LEU 14 Cb 0.08 0.00 0.70 0.00 -1.62 0.00 0.00 43.42 42.58 3gis n LEU 14 CO 0.00 0.00 1.11 -0.33 -1.22 0.00 0.00 177.39 176.95 3gis h GLU 14 N 0.00 0.00 0.00 3.23 4.39 -1.25 -1.36 114.58 119.59 3gis h GLU 14 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gis h GLU 14 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gis h GLU 14 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 3gis n SER 14 N -4.34 0.00 -0.19 1.42 3.41 -1.06 -2.50 113.62 110.35 3gis n SER 14 Ca 0.01 -0.09 0.15 0.00 -0.26 0.00 0.00 58.87 58.67 3gis n SER 14 Cb 0.25 -0.26 0.66 0.00 -0.26 0.00 0.00 64.21 64.60 3gis n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gis n TYR 14 N -1.26 0.00 -1.70 7.33 4.01 -0.51 -4.89 117.16 120.14 3gis n TYR 14 Ca 0.11 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.42 3gis n TYR 14 Cb 0.16 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3gis n TYR 14 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3gis n ILE 14 N -0.65 0.04 -3.69 -0.72 3.06 -1.04 -4.95 119.36 111.41 3gis n ILE 14 Ca 0.18 -0.01 -0.38 0.00 -2.50 0.00 0.00 62.75 60.04 3gis n ILE 14 Cb 0.26 -1.86 -0.10 0.00 0.54 0.00 0.00 39.64 38.47 3gis n ILE 14 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 3gis s ASP 14 N 1.26 5.43 0.52 9.51 -0.00 -1.26 -5.07 116.67 127.06 3gis s ASP 14 Ca 0.77 -2.02 -0.22 0.00 -0.00 0.00 0.00 52.55 51.09 3gis s ASP 14 Cb -0.56 -1.90 -0.06 0.00 -0.00 0.00 0.00 42.92 40.41 3gis s ASP 14 CO 0.35 -0.60 1.24 -0.83 -0.00 0.00 0.00 175.17 175.33 3gis s GLY 14 N 2.11 2.80 0.00 0.21 0.00 -1.26 -5.30 107.32 105.89 3gis s GLY 14 Ca 0.08 1.08 0.23 0.00 0.00 0.00 0.00 44.72 46.11 3gis s GLY 14 CO -0.03 1.54 1.22 0.54 0.00 0.00 0.00 173.10 176.38