#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gps s ILE 2 N 0.00 4.37 -0.23 3.15 -1.09 -1.26 0.04 121.20 126.18 1gps s ILE 2 Ca 0.00 -1.04 -0.24 0.00 -2.23 0.00 0.00 60.65 57.14 1gps s ILE 2 Cb 0.00 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1gps s ILE 2 CO 0.00 -0.30 0.81 0.00 -1.23 0.00 0.00 174.94 174.22 1gps s ARG 4 N 2.70 1.29 0.16 0.00 1.81 -1.25 -1.46 118.95 122.20 1gps s ARG 4 Ca 0.34 -1.86 0.10 0.00 -1.72 0.00 0.00 55.73 52.60 1gps s ARG 4 Cb -0.15 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1gps s ARG 4 CO 0.08 -1.07 -0.22 1.03 -0.68 0.00 0.00 175.30 174.43 1gps s ARG 5 N 0.65 1.36 0.31 3.54 0.52 -0.49 -4.84 118.95 119.99 1gps s ARG 5 Ca 0.14 -1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 53.67 1gps s ARG 5 Cb -0.22 -1.63 -0.12 0.00 0.52 0.00 0.00 34.95 33.50 1gps s ARG 5 CO -0.07 0.36 1.56 0.54 0.02 0.00 0.00 175.30 177.71 1gps n ARG 6 N 0.54 2.67 -2.02 3.54 1.74 -1.26 -0.01 116.66 121.86 1gps n ARG 6 Ca -0.15 0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1gps n ARG 6 Cb 0.55 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.25 1gps n ARG 6 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gps s SER 7 N 0.35 6.67 -1.21 0.55 0.15 -0.54 -4.90 113.70 114.77 1gps s SER 7 Ca 0.62 2.55 -0.14 0.00 0.70 0.00 0.00 55.95 59.68 1gps s SER 7 Cb -0.50 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.38 1gps s SER 7 CO 0.52 -0.75 1.44 0.00 1.20 0.00 0.00 173.24 175.65 1gps s ALA 8 N 0.84 3.97 0.00 5.45 0.00 -1.26 -2.98 121.76 127.78 1gps s ALA 8 Ca 0.66 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1gps s ALA 8 Cb -0.41 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1gps s ALA 8 CO 0.34 -2.79 0.00 0.41 0.00 0.00 0.00 175.76 173.72 1gps n GLY 9 N 4.16 4.47 2.64 0.00 0.00 -1.26 -4.97 105.19 110.23 1gps n GLY 9 Ca 0.37 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1gps n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gps n PHE 10 N 0.00 2.76 -2.83 1.61 7.35 -1.16 -4.87 117.46 120.33 1gps n PHE 10 Ca 0.00 -2.57 -0.44 0.00 -0.76 0.00 0.00 57.45 53.68 1gps n PHE 10 Cb 0.00 -1.25 0.00 0.00 0.35 0.00 0.00 39.48 38.58 1gps n PHE 10 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1gps n LYS 11 N 0.07 3.38 0.00 -4.13 5.02 -1.19 -4.27 118.16 117.04 1gps n LYS 11 Ca 0.49 -3.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.03 1gps n LYS 11 Cb 0.26 -3.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.19 1gps n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gps n GLY 12 N 4.07 0.57 3.54 0.72 0.00 -1.25 -5.06 105.19 107.78 1gps n GLY 12 Ca 0.39 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1gps n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gps n PRO 13 N 0.00 0.71 -3.56 1.61 -0.04 -1.18 -4.04 135.00 128.51 1gps n PRO 13 Ca 0.00 -0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 1gps n PRO 13 Cb 0.00 -2.86 -0.11 0.00 -0.04 0.00 0.00 33.50 30.49 1gps n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gps n MET 15 N 5.07 0.93 -3.63 0.00 2.81 -1.26 -4.28 117.12 116.76 1gps n MET 15 Ca -0.13 -0.46 -0.15 0.00 -1.81 0.00 0.00 57.70 55.16 1gps n MET 15 Cb 0.49 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 1gps n MET 15 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1gps s SER 16 N -2.38 -0.64 0.43 7.83 0.15 -1.26 -5.05 113.70 112.79 1gps s SER 16 Ca 0.29 1.10 0.17 0.00 0.70 0.00 0.00 55.95 58.21 1gps s SER 16 Cb 0.20 1.08 1.09 0.00 -1.71 0.00 0.00 66.02 66.69 1gps s SER 16 CO 0.46 -0.32 1.91 0.78 1.20 0.00 0.00 173.24 177.27 1gps h ASN 17 N 4.60 0.36 -0.46 5.45 4.21 -1.87 -1.94 115.58 125.93 1gps h ASN 17 Ca -0.28 0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.33 1gps h ASN 17 Cb 1.16 -0.05 -0.06 0.00 -1.12 0.00 0.00 38.32 38.25 1gps h ASN 17 CO 0.18 0.17 0.08 0.50 -1.29 0.00 0.00 177.43 177.07 1gps h LYS 18 N 0.38 0.20 -0.01 0.81 3.64 -1.97 -2.35 116.57 117.28 1gps h LYS 18 Ca 0.39 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1gps h LYS 18 Cb 0.97 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1gps h LYS 18 CO -0.12 0.14 -0.07 -0.91 -2.27 0.00 0.00 179.45 176.21 1gps h ASN 19 N 0.21 -0.20 -0.36 4.20 -0.26 -1.75 0.28 115.58 117.69 1gps h ASN 19 Ca 0.23 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1gps h ASN 19 Cb 0.30 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1gps h ASN 19 CO -0.31 -0.10 0.23 0.00 -1.06 0.00 0.00 177.43 176.19 1gps h ALA 21 N 1.11 0.95 -0.45 0.00 0.00 -1.09 -1.10 119.26 118.67 1gps h ALA 21 Ca 0.13 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1gps h ALA 21 Cb -0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1gps h ALA 21 CO -0.03 0.26 0.07 1.96 0.00 0.00 0.00 179.25 181.51 1gps h GLN 22 N 0.91 0.19 -0.15 0.00 4.20 -0.62 0.95 115.11 120.58 1gps h GLN 22 Ca 0.29 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.78 1gps h GLN 22 Cb -0.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1gps h GLN 22 CO -0.10 0.12 -0.71 0.28 -0.67 0.00 0.00 178.83 177.75 1gps h VAL 23 N 0.19 1.31 0.00 -0.54 2.07 -1.13 -3.16 116.25 114.99 1gps h VAL 23 Ca 0.23 -1.97 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 1gps h VAL 23 Cb 0.30 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1gps h VAL 23 CO -0.32 0.62 -0.28 0.00 0.02 0.00 0.00 177.57 177.61 1gps h GLN 25 N 0.00 0.41 -0.54 0.00 4.20 -0.88 0.21 115.11 118.51 1gps h GLN 25 Ca -0.00 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1gps h GLN 25 Cb 0.57 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1gps h GLN 25 CO 0.04 0.79 0.26 0.37 -0.67 0.00 0.00 178.83 179.62 1gps h GLN 26 N 0.06 0.76 0.00 1.46 -0.00 -1.40 -3.04 115.11 112.95 1gps h GLN 26 Ca 0.02 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.65 58.47 1gps h GLN 26 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 1gps h GLN 26 CO 0.04 0.59 -0.55 1.49 0.00 0.00 0.00 178.83 180.41 1gps h GLU 27 N 0.76 0.00 0.00 1.69 4.22 -0.09 -3.47 114.58 117.69 1gps h GLU 27 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 1gps h GLU 27 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1gps h GLU 27 CO -0.03 0.55 0.00 0.41 -2.18 0.00 0.00 179.01 177.76 1gps n GLY 28 N 0.11 0.90 3.39 1.92 0.00 -0.07 -5.05 105.19 106.39 1gps n GLY 28 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1gps n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gps s TRP 29 N -1.37 2.00 -0.21 1.61 0.52 0.56 -5.02 118.94 117.04 1gps s TRP 29 Ca 0.00 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.69 1gps s TRP 29 Cb 0.00 -0.94 0.25 0.00 -1.15 0.00 0.00 33.47 31.63 1gps s TRP 29 CO 0.00 0.47 1.56 0.41 0.02 0.00 0.00 176.95 179.42 1gps n GLY 30 N -0.13 3.27 0.00 0.98 0.00 -0.16 -3.95 105.19 105.19 1gps n GLY 30 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1gps n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gps n GLY 31 N 0.03 0.50 3.59 -0.02 0.00 -1.23 -4.79 105.19 103.27 1gps n GLY 31 Ca 0.25 -2.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.01 1gps n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gps s GLY 32 N 0.00 -0.22 0.07 -0.02 0.00 -1.26 -2.79 107.32 103.10 1gps s GLY 32 Ca 0.00 1.91 0.09 0.00 0.00 0.00 0.00 44.72 46.72 1gps s GLY 32 CO 0.00 0.75 -0.24 0.54 0.00 0.00 0.00 173.10 174.15 1gps s ASN 33 N -1.72 3.44 -0.27 1.64 2.20 0.68 -3.69 114.94 117.22 1gps s ASN 33 Ca 0.06 -0.58 -0.13 0.00 -0.94 0.00 0.00 52.86 51.28 1gps s ASN 33 Cb -0.01 -0.38 -0.04 0.00 -2.00 0.00 0.00 41.25 38.81 1gps s ASN 33 CO -0.04 0.23 0.28 0.00 -2.94 0.00 0.00 177.10 174.63 1gps s ASP 35 N 1.60 6.32 0.31 0.00 -1.08 -0.28 -4.81 116.67 118.74 1gps s ASP 35 Ca 0.11 0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 1gps s ASP 35 Cb -0.16 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1gps s ASP 35 CO 0.10 -1.56 0.00 0.61 0.52 0.00 0.00 175.17 174.83 1gps n GLY 36 N 5.14 0.41 3.70 2.66 0.00 -1.26 -4.13 105.19 111.70 1gps n GLY 36 Ca 0.11 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.31 1gps n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gps s PRO 37 N 0.00 4.22 0.00 1.61 0.04 -1.26 -4.90 135.00 134.70 1gps s PRO 37 Ca 0.00 2.29 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 1gps s PRO 37 Cb 0.00 -3.49 -0.10 0.00 0.04 0.00 0.00 34.50 30.94 1gps s PRO 37 CO 0.00 -0.68 2.51 1.19 0.04 0.00 0.00 177.00 180.06 1gps n PHE 38 N 5.18 0.00 -0.02 0.56 3.72 -1.26 -3.61 117.46 122.03 1gps n PHE 38 Ca 0.15 -1.13 0.01 0.00 -0.05 0.00 0.00 57.45 56.43 1gps n PHE 38 Cb 0.40 -0.91 -0.06 0.00 -0.94 0.00 0.00 39.48 37.97 1gps n PHE 38 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1gps n ARG 39 N 1.95 1.36 -3.86 -1.08 3.00 -1.26 -1.99 116.66 114.78 1gps n ARG 39 Ca 0.17 -0.04 -0.36 0.00 -0.01 0.00 0.00 57.85 57.60 1gps n ARG 39 Cb 0.63 -1.20 -0.13 0.00 0.00 0.00 0.00 32.46 31.75 1gps n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1gps s ARG 40 N -2.41 2.92 -0.49 5.56 1.81 -1.24 -3.08 118.95 122.03 1gps s ARG 40 Ca -0.03 -0.95 -0.17 0.00 -1.72 0.00 0.00 55.73 52.85 1gps s ARG 40 Cb 0.04 -3.19 0.06 0.00 -0.45 0.00 0.00 34.95 31.41 1gps s ARG 40 CO 0.34 -0.44 0.51 0.00 -0.68 0.00 0.00 175.30 175.03 1gps s LYS 42 N 2.17 2.73 -0.07 0.00 1.02 -0.15 -1.47 119.74 123.96 1gps s LYS 42 Ca 0.10 -1.05 -0.01 0.00 0.02 0.00 0.00 55.97 55.03 1gps s LYS 42 Cb -0.21 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1gps s LYS 42 CO 0.10 -0.45 -0.01 0.00 -0.92 0.00 0.00 175.35 174.06 1gps s ILE 44 N -0.89 5.35 -0.14 0.00 -4.36 -1.12 -1.40 121.20 118.64 1gps s ILE 44 Ca 0.14 -0.50 -0.29 0.00 -0.26 0.00 0.00 60.65 59.74 1gps s ILE 44 Cb -0.11 -3.68 0.09 0.00 1.25 0.00 0.00 42.46 40.00 1gps s ILE 44 CO 0.03 0.03 0.80 -0.60 0.24 0.00 0.00 174.94 175.43 1gps s ARG 45 N -2.85 0.85 -0.33 0.37 3.00 -0.53 -0.99 118.95 118.46 1gps s ARG 45 Ca 0.35 0.42 -0.11 0.00 -1.00 0.00 0.00 55.73 55.39 1gps s ARG 45 Cb -0.12 0.40 -0.00 0.00 0.00 0.00 0.00 34.95 35.23 1gps s ARG 45 CO 0.28 -0.22 0.20 -1.14 0.00 0.00 0.00 175.30 174.42 1gps s GLN 46 N -0.70 3.30 0.00 5.12 0.74 -1.26 -1.27 119.66 125.59 1gps s GLN 46 Ca -0.05 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.61 1gps s GLN 46 Cb -0.02 -3.69 0.01 0.00 1.10 0.00 0.00 33.01 30.42 1gps s GLN 46 CO 0.05 -0.48 0.55 0.00 -0.55 0.00 0.00 175.29 174.85