#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 2.01 -0.77 3.15 -1.09 -1.26 -0.62 121.20 122.61 1gps s ILE 2 Ca 0.00 -1.01 -0.25 0.00 -2.23 0.00 0.00 60.65 57.16 1gps s ILE 2 Cb 0.00 -1.72 0.05 0.00 -1.58 0.00 0.00 42.46 39.21 1gps s ILE 2 CO 0.00 0.55 1.21 0.00 -1.23 0.00 0.00 174.94 175.47 1gps n ARG 4 N 8.67 4.80 -4.09 0.00 5.12 -1.25 -1.11 116.66 128.80 1gps n ARG 4 Ca 0.07 -4.60 -0.28 0.00 -1.93 0.00 0.00 57.85 51.11 1gps n ARG 4 Cb 0.48 -2.41 -0.06 0.00 -1.16 0.00 0.00 32.46 29.31 1gps n ARG 4 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1gps s ARG 5 N -4.15 2.80 0.30 5.56 0.52 -0.95 -4.53 118.95 118.51 1gps s ARG 5 Ca 0.42 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 1gps s ARG 5 Cb 0.23 -2.63 -0.13 0.00 0.52 0.00 0.00 34.95 32.95 1gps s ARG 5 CO -0.16 0.51 1.28 0.54 0.02 0.00 0.00 175.30 177.50 1gps n ARG 6 N 0.00 1.98 -1.93 3.54 3.00 -1.26 -1.14 116.66 120.86 1gps n ARG 6 Ca -0.09 0.70 -0.42 0.00 -0.01 0.00 0.00 57.85 58.03 1gps n ARG 6 Cb 0.54 -2.27 -0.03 0.00 0.00 0.00 0.00 32.46 30.70 1gps n ARG 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1gps s SER 7 N -0.17 6.62 -1.27 0.55 0.15 -0.60 -4.87 113.70 114.11 1gps s SER 7 Ca 0.60 2.34 -0.17 0.00 0.70 0.00 0.00 55.95 59.41 1gps s SER 7 Cb -0.61 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.16 1gps s SER 7 CO 0.58 -0.95 2.08 0.00 1.20 0.00 0.00 173.24 176.15 1gps n ALA 8 N 7.22 4.60 0.00 5.45 0.00 -1.26 -3.03 120.51 133.49 1gps n ALA 8 Ca 0.18 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1gps n ALA 8 Cb 0.42 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.30 1gps n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gps n GLY 9 N 4.45 -0.86 2.95 0.00 0.00 -1.26 -5.02 105.19 105.45 1gps n GLY 9 Ca 0.51 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 46.50 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 3.26 -2.68 1.61 7.35 -1.17 -4.90 117.46 120.92 1gps n PHE 10 Ca 0.00 -2.88 -0.42 0.00 -0.76 0.00 0.00 57.45 53.39 1gps n PHE 10 Cb 0.00 -2.01 -0.03 0.00 0.35 0.00 0.00 39.48 37.79 1gps n PHE 10 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1gps s LYS 11 N 0.70 3.43 0.00 -4.13 1.02 -1.24 -4.33 119.74 115.18 1gps s LYS 11 Ca 0.40 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1gps s LYS 11 Cb 0.08 -4.83 0.00 0.00 -0.52 0.00 0.00 37.83 32.56 1gps s LYS 11 CO 0.00 -2.04 0.00 0.41 -0.92 0.00 0.00 175.35 172.80 1gps n GLY 12 N 6.01 1.02 3.57 -3.33 0.00 -1.26 -5.03 105.19 106.17 1gps n GLY 12 Ca 0.19 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1gps n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gps s PRO 13 N 0.00 2.53 -0.40 1.61 0.04 -1.26 -3.58 135.00 133.94 1gps s PRO 13 Ca 0.00 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1gps s PRO 13 Cb 0.00 -4.48 0.10 0.00 0.04 0.00 0.00 34.50 30.16 1gps s PRO 13 CO 0.00 -2.80 0.18 0.00 0.04 0.00 0.00 177.00 174.43 1gps h MET 15 N 8.07 0.00 -2.82 0.00 2.86 -1.93 -3.41 114.93 117.70 1gps h MET 15 Ca -0.15 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1gps h MET 15 Cb 1.05 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.56 1gps h MET 15 CO 0.68 0.00 0.09 -1.54 1.06 0.00 0.00 176.91 177.21 1gps s SER 16 N -5.43 -0.48 0.39 1.22 1.04 -1.26 -5.00 113.70 104.18 1gps s SER 16 Ca 0.01 0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.68 1gps s SER 16 Cb 0.09 0.53 0.90 0.00 0.10 0.00 0.00 66.02 67.64 1gps s SER 16 CO 0.51 -0.80 1.94 0.78 0.98 0.00 0.00 173.24 176.65 1gps h ASN 17 N 2.53 0.53 0.47 7.02 4.21 -1.87 -1.89 115.58 126.58 1gps h ASN 17 Ca -0.32 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.19 1gps h ASN 17 Cb 1.24 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1gps h ASN 17 CO 0.41 0.31 -0.27 0.50 -1.29 0.00 0.00 177.43 177.08 1gps h LYS 18 N 0.58 -0.68 -0.65 0.81 3.64 -1.96 0.86 116.57 119.17 1gps h LYS 18 Ca 0.34 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.90 1gps h LYS 18 Cb 0.54 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.40 1gps h LYS 18 CO -0.12 -0.45 0.00 -0.91 -2.27 0.00 0.00 179.45 175.70 1gps h ASN 19 N -0.70 -0.29 -0.36 4.20 -0.26 -1.89 0.19 115.58 116.46 1gps h ASN 19 Ca -0.06 0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1gps h ASN 19 Cb 0.57 0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 1gps h ASN 19 CO 0.07 -0.13 0.17 0.00 -1.06 0.00 0.00 177.43 176.48 1gps h ALA 21 N 1.02 0.60 0.09 0.00 0.00 -0.24 -1.77 119.26 118.97 1gps h ALA 21 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gps h ALA 21 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1gps h ALA 21 CO -0.01 0.24 -0.20 1.96 0.00 0.00 0.00 179.25 181.24 1gps h GLN 22 N 0.60 -0.36 -0.45 0.00 4.20 -0.48 0.29 115.11 118.91 1gps h GLN 22 Ca 0.15 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1gps h GLN 22 Cb 0.25 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1gps h GLN 22 CO -0.01 -0.24 0.17 0.28 -0.67 0.00 0.00 178.83 178.36 1gps h VAL 23 N -0.37 1.21 -0.23 -0.54 2.07 -1.33 -2.62 116.25 114.45 1gps h VAL 23 Ca 0.03 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1gps h VAL 23 Cb 0.39 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1gps h VAL 23 CO -0.12 0.25 0.15 0.00 0.02 0.00 0.00 177.57 177.87 1gps h GLN 25 N 0.23 0.81 -0.13 0.00 4.20 -0.56 0.22 115.11 119.88 1gps h GLN 25 Ca 0.09 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1gps h GLN 25 Cb 0.08 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1gps h GLN 25 CO -0.02 0.78 0.03 0.37 -0.67 0.00 0.00 178.83 179.33 1gps h GLN 26 N 0.70 0.21 -0.14 1.46 4.15 -1.30 -3.35 115.11 116.84 1gps h GLN 26 Ca 0.16 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 1gps h GLN 26 Cb 0.34 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1gps h GLN 26 CO 0.00 0.38 -0.15 1.49 -1.93 0.00 0.00 178.83 178.62 1gps h GLU 27 N 0.01 0.22 0.00 1.69 4.22 -0.22 -3.46 114.58 117.04 1gps h GLU 27 Ca 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1gps h GLU 27 Cb 0.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1gps h GLU 27 CO 0.00 0.38 0.00 0.41 -2.18 0.00 0.00 179.01 177.62 1gps n GLY 28 N -0.84 1.44 3.31 1.92 0.00 0.06 -5.06 105.19 106.02 1gps n GLY 28 Ca -0.01 0.00 -0.24 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 -1.58 1.85 -0.24 1.61 0.52 0.56 -5.00 118.94 116.67 1gps s TRP 29 Ca 0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 56.10 55.69 1gps s TRP 29 Cb 0.00 -0.98 0.18 0.00 -1.15 0.00 0.00 33.47 31.52 1gps s TRP 29 CO 0.00 0.27 1.91 0.41 0.02 0.00 0.00 176.95 179.55 1gps n GLY 30 N 0.78 3.63 0.00 0.98 0.00 0.38 -3.23 105.19 107.72 1gps n GLY 30 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.49 -0.87 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.69 1gps n GLY 31 Ca 0.23 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1gps n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gps n GLY 32 N 0.00 -0.46 3.29 -0.02 0.00 -1.26 -1.29 105.19 105.45 1gps n GLY 32 Ca 0.00 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1gps n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gps s ASN 33 N 0.00 2.66 -0.65 1.61 2.20 1.00 -3.35 114.94 118.40 1gps s ASN 33 Ca 0.00 -0.63 -0.21 0.00 -0.94 0.00 0.00 52.86 51.08 1gps s ASN 33 Cb 0.00 -0.18 0.09 0.00 -2.00 0.00 0.00 41.25 39.16 1gps s ASN 33 CO 0.00 0.12 0.87 0.00 -2.94 0.00 0.00 177.10 175.15 1gps s ASP 35 N 3.65 5.72 0.37 0.00 2.15 0.77 -4.76 116.67 124.57 1gps s ASP 35 Ca 0.18 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.60 1gps s ASP 35 Cb -0.19 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1gps s ASP 35 CO 0.07 -2.16 0.00 0.61 -0.17 0.00 0.00 175.17 173.52 1gps n GLY 36 N 6.26 0.87 3.77 2.66 0.00 -1.26 -4.59 105.19 112.90 1gps n GLY 36 Ca 0.26 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 46.31 1gps n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gps s PRO 37 N 0.00 3.89 0.00 1.61 0.02 -1.26 -4.89 135.00 134.37 1gps s PRO 37 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1gps s PRO 37 Cb 0.00 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.76 1gps s PRO 37 CO 0.00 -0.62 0.50 1.19 -0.33 0.00 0.00 177.00 177.74 1gps n PHE 38 N 0.08 0.00 0.00 6.54 3.72 -1.26 -2.50 117.46 124.03 1gps n PHE 38 Ca 0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1gps n PHE 38 Cb 0.42 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.20 2.07 -3.87 -1.08 3.00 -1.26 0.62 116.66 115.93 1gps n ARG 39 Ca 0.00 -1.52 -0.29 0.00 -0.01 0.00 0.00 57.85 56.02 1gps n ARG 39 Cb 0.07 -1.13 -0.13 0.00 0.00 0.00 0.00 32.46 31.27 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 -0.85 1.88 -0.65 5.56 0.52 -1.04 -4.03 118.95 120.34 1gps s ARG 40 Ca 0.10 -2.60 -0.26 0.00 -0.52 0.00 0.00 55.73 52.46 1gps s ARG 40 Cb 0.06 -3.06 0.04 0.00 0.52 0.00 0.00 34.95 32.51 1gps s ARG 40 CO 0.08 -1.16 1.11 0.00 0.02 0.00 0.00 175.30 175.35 1gps s LYS 42 N 4.78 2.93 0.29 0.00 1.02 0.24 -1.55 119.74 127.44 1gps s LYS 42 Ca 0.32 -0.93 0.09 0.00 0.02 0.00 0.00 55.97 55.48 1gps s LYS 42 Cb -0.11 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1gps s LYS 42 CO 0.17 -0.39 0.04 0.00 -0.92 0.00 0.00 175.35 174.25 1gps s ILE 44 N -2.36 2.96 0.02 0.00 -4.36 -0.41 -2.23 121.20 114.82 1gps s ILE 44 Ca 0.33 -0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 59.88 1gps s ILE 44 Cb -0.05 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.48 1gps s ILE 44 CO 0.21 0.56 0.24 -0.13 0.24 0.00 0.00 174.94 176.05 1gps s ARG 45 N -0.12 0.69 -0.30 0.37 1.81 -0.26 -0.47 118.95 120.67 1gps s ARG 45 Ca -0.02 -0.47 -0.20 0.00 -1.72 0.00 0.00 55.73 53.32 1gps s ARG 45 Cb -0.14 0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 34.65 1gps s ARG 45 CO 0.04 -0.20 0.64 -1.14 -0.68 0.00 0.00 175.30 173.95 1gps s GLN 46 N -2.13 3.93 0.00 3.54 0.74 -1.26 0.27 119.66 124.74 1gps s GLN 46 Ca -0.08 0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.67 1gps s GLN 46 Cb -0.03 -3.72 0.00 0.00 1.10 0.00 0.00 33.01 30.36 1gps s GLN 46 CO -0.01 -0.56 0.43 0.00 -0.55 0.00 0.00 175.29 174.61