#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpt s ILE 2 N 0.00 5.42 -0.16 0.55 1.09 -1.26 -0.83 121.20 126.00 1gpt s ILE 2 Ca 0.00 0.19 -0.12 0.00 -1.10 0.00 0.00 60.65 59.62 1gpt s ILE 2 Cb 0.00 -3.44 -0.05 0.00 -1.06 0.00 0.00 42.46 37.91 1gpt s ILE 2 CO 0.00 0.50 0.22 0.00 -0.10 0.00 0.00 174.94 175.56 1gpt s ARG 4 N 0.20 2.63 -0.02 0.00 6.06 -1.25 -2.34 118.95 124.24 1gpt s ARG 4 Ca 0.13 -2.56 0.04 0.00 -2.50 0.00 0.00 55.73 50.84 1gpt s ARG 4 Cb -0.12 -3.77 -0.03 0.00 0.06 0.00 0.00 34.95 31.09 1gpt s ARG 4 CO 0.02 -1.18 -0.13 0.50 -2.50 0.00 0.00 175.30 172.01 1gpt s ARG 5 N -0.12 2.43 -0.16 5.12 6.06 -0.42 -4.87 118.95 127.00 1gpt s ARG 5 Ca 0.17 -0.76 -0.39 0.00 -2.50 0.00 0.00 55.73 52.26 1gpt s ARG 5 Cb -0.20 -2.37 -0.16 0.00 0.06 0.00 0.00 34.95 32.29 1gpt s ARG 5 CO -0.04 0.60 1.65 2.89 -2.50 0.00 0.00 175.30 177.90 1gpt n ARG 6 N 1.96 1.27 -1.31 5.12 0.00 -1.26 0.01 116.66 122.45 1gpt n ARG 6 Ca -0.17 0.46 -0.33 0.00 -0.00 0.00 0.00 57.85 57.82 1gpt n ARG 6 Cb 0.52 -2.15 -0.14 0.00 -0.00 0.00 0.00 32.46 30.69 1gpt n ARG 6 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1gpt n SER 7 N 4.69 -0.02 -4.69 2.89 3.41 -0.10 -4.76 113.62 115.04 1gpt n SER 7 Ca 0.24 0.04 -0.53 0.00 -0.26 0.00 0.00 58.87 58.37 1gpt n SER 7 Cb 0.16 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 1gpt n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpt n ALA 8 N 8.40 0.28 0.00 7.33 0.00 -1.26 -2.60 120.51 132.66 1gpt n ALA 8 Ca 0.58 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1gpt n ALA 8 Cb 0.04 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1gpt n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gpt n GLY 9 N 4.10 1.27 3.75 0.00 0.00 -1.26 -4.18 105.19 108.88 1gpt n GLY 9 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1gpt n GLY 9 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gpt s PHE 10 N 0.00 3.92 -0.06 1.61 5.36 -1.07 -5.07 117.98 122.67 1gpt s PHE 10 Ca 0.00 1.88 -0.21 0.00 -0.96 0.00 0.00 56.93 57.64 1gpt s PHE 10 Cb 0.00 -3.03 0.04 0.00 -0.34 0.00 0.00 43.02 39.70 1gpt s PHE 10 CO 0.00 0.30 0.48 -1.59 -1.46 0.00 0.00 175.22 172.94 1gpt s LYS 11 N -1.09 0.79 0.00 10.12 -2.85 -1.26 -4.56 119.74 120.88 1gpt s LYS 11 Ca 0.42 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.54 1gpt s LYS 11 Cb -0.27 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1gpt s LYS 11 CO 0.33 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.98 1gpt n GLY 12 N 1.46 2.32 3.56 0.59 0.00 -1.26 -5.01 105.19 106.86 1gpt n GLY 12 Ca -0.19 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 1gpt n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gpt s PRO 13 N -2.08 2.90 -0.70 1.61 0.04 -1.25 -4.35 135.00 131.18 1gpt s PRO 13 Ca 0.00 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.50 1gpt s PRO 13 Cb 0.00 -4.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1gpt s PRO 13 CO 0.00 -2.40 1.88 0.00 0.04 0.00 0.00 177.00 176.52 1gpt n VAL 15 N 7.41 0.00 -3.85 0.00 0.24 -1.26 -4.43 118.33 116.44 1gpt n VAL 15 Ca 0.26 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1gpt n VAL 15 Cb 0.51 1.15 -0.14 0.00 -1.47 0.00 0.00 33.84 33.88 1gpt n VAL 15 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1gpt s SER 16 N -2.16 4.22 0.21 -1.34 0.15 -1.26 -4.99 113.70 108.54 1gpt s SER 16 Ca 0.12 -2.19 -0.09 0.00 0.70 0.00 0.00 55.95 54.50 1gpt s SER 16 Cb 0.14 -1.24 0.16 0.00 -1.71 0.00 0.00 66.02 63.37 1gpt s SER 16 CO 0.50 -0.35 1.82 0.78 1.20 0.00 0.00 173.24 177.19 1gpt h ASN 17 N 7.45 1.02 -0.96 5.45 4.21 -1.95 -2.45 115.58 128.36 1gpt h ASN 17 Ca -0.07 -0.12 0.07 0.00 1.21 0.00 0.00 56.30 57.40 1gpt h ASN 17 Cb 0.98 -0.26 -0.07 0.00 -1.12 0.00 0.00 38.32 37.85 1gpt h ASN 17 CO 0.52 0.85 0.61 0.07 -1.29 0.00 0.00 177.43 178.19 1gpt h LYS 18 N 1.12 1.05 -0.50 0.81 2.10 -1.94 -0.96 116.57 118.25 1gpt h LYS 18 Ca 0.28 -0.06 -0.11 0.00 -2.00 0.00 0.00 60.65 58.76 1gpt h LYS 18 Cb 0.07 -0.24 -0.02 0.00 -0.90 0.00 0.00 32.23 31.15 1gpt h LYS 18 CO -0.04 0.70 -0.11 -0.91 -2.00 0.00 0.00 179.45 177.09 1gpt h ASN 19 N 1.08 0.93 -0.13 7.07 -0.26 -1.84 -0.23 115.58 122.20 1gpt h ASN 19 Ca 0.43 -0.30 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1gpt h ASN 19 Cb 0.23 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1gpt h ASN 19 CO -0.19 1.05 0.03 0.00 -1.06 0.00 0.00 177.43 177.26 1gpt h ALA 21 N 0.82 0.83 0.60 0.00 0.00 -0.97 0.01 119.26 120.54 1gpt h ALA 21 Ca 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1gpt h ALA 21 Cb 0.27 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1gpt h ALA 21 CO 0.00 -0.33 -0.31 0.37 0.00 0.00 0.00 179.25 178.98 1gpt h GLN 22 N 0.25 -0.80 -0.88 0.00 4.15 -0.85 -1.79 115.11 115.18 1gpt h GLN 22 Ca 0.37 0.05 0.15 0.00 0.77 0.00 0.00 58.65 60.00 1gpt h GLN 22 Cb 0.60 0.18 -0.09 0.00 0.21 0.00 0.00 27.48 28.38 1gpt h GLN 22 CO -0.48 -0.54 0.48 0.28 -1.93 0.00 0.00 178.83 176.64 1gpt h VAL 23 N -0.83 0.74 -0.38 2.39 2.07 -0.65 0.51 116.25 120.10 1gpt h VAL 23 Ca -0.08 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1gpt h VAL 23 Cb 0.65 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1gpt h VAL 23 CO 0.12 0.12 0.08 0.00 0.02 0.00 0.00 177.57 177.91 1gpt h MET 25 N 0.47 1.08 -0.31 0.00 2.86 -0.31 0.90 114.93 119.62 1gpt h MET 25 Ca 0.12 -0.28 0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1gpt h MET 25 Cb 0.33 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1gpt h MET 25 CO 0.00 0.99 0.22 0.37 1.06 0.00 0.00 176.91 179.55 1gpt h GLN 26 N 1.02 0.03 0.00 1.72 5.75 0.20 -2.01 115.11 121.82 1gpt h GLN 26 Ca 0.20 -0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.49 1gpt h GLN 26 Cb 0.42 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1gpt h GLN 26 CO 0.01 0.02 -1.39 1.49 -2.65 0.00 0.00 178.83 176.31 1gpt h GLU 27 N 0.03 0.00 0.00 1.69 4.57 -0.64 -3.49 114.58 116.73 1gpt h GLU 27 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1gpt h GLU 27 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1gpt h GLU 27 CO -0.01 0.47 0.00 0.41 -1.18 0.00 0.00 179.01 178.71 1gpt n GLY 28 N 1.43 2.51 3.69 1.92 0.00 -0.63 -5.10 105.19 109.01 1gpt n GLY 28 Ca -0.10 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1gpt n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gpt s TRP 29 N -0.13 3.18 0.00 1.61 0.52 0.22 -4.84 118.94 119.49 1gpt s TRP 29 Ca 0.00 1.21 -0.05 0.00 0.02 0.00 0.00 56.10 57.28 1gpt s TRP 29 Cb 0.00 -3.42 -0.23 0.00 -1.15 0.00 0.00 33.47 28.67 1gpt s TRP 29 CO 0.00 -1.31 3.13 0.41 0.02 0.00 0.00 176.95 179.21 1gpt n GLY 30 N 3.37 2.69 0.00 0.98 0.00 -0.88 -1.81 105.19 109.54 1gpt n GLY 30 Ca 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1gpt n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpt n GLY 31 N 2.57 4.25 3.32 -0.02 0.00 -0.91 -4.67 105.19 109.74 1gpt n GLY 31 Ca 0.36 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1gpt n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gpt s GLY 32 N 0.00 -0.35 0.03 -0.02 0.00 -1.26 -0.48 107.32 105.23 1gpt s GLY 32 Ca 0.00 1.47 0.03 0.00 0.00 0.00 0.00 44.72 46.22 1gpt s GLY 32 CO 0.00 1.48 -0.10 0.21 0.00 0.00 0.00 173.10 174.69 1gpt s ASN 33 N 0.94 1.11 -1.01 1.64 3.84 -1.05 -2.83 114.94 117.59 1gpt s ASN 33 Ca -0.06 -0.37 -0.12 0.00 0.21 0.00 0.00 52.86 52.51 1gpt s ASN 33 Cb -0.06 -0.05 0.23 0.00 -0.55 0.00 0.00 41.25 40.81 1gpt s ASN 33 CO -0.08 -0.03 1.04 0.00 -2.79 0.00 0.00 177.10 175.25 1gpt s ASP 35 N 2.06 1.79 0.03 0.00 1.01 -1.26 -4.72 116.67 115.59 1gpt s ASP 35 Ca 0.28 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.45 1gpt s ASP 35 Cb -0.08 0.00 0.00 0.00 1.01 0.00 0.00 42.92 43.85 1gpt s ASP 35 CO -0.07 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.51 1gpt n GLY 36 N -0.28 2.05 0.22 0.21 0.00 -1.26 -2.58 105.19 103.55 1gpt n GLY 36 Ca -0.08 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1gpt n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gpt h PRO 37 N 0.00 0.00 0.00 1.61 0.11 -1.95 -3.47 132.00 128.29 1gpt h PRO 37 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1gpt h PRO 37 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1gpt h PRO 37 CO 0.00 0.23 0.00 1.28 -0.21 0.00 0.00 178.00 179.30 1gpt n LEU 38 N -4.13 0.00 -0.17 2.35 4.77 -1.07 -3.76 117.00 114.99 1gpt n LEU 38 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1gpt n LEU 38 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1gpt n LEU 38 CO 0.36 0.00 0.72 0.03 -1.33 0.00 0.00 177.39 177.17 1gpt h ARG 39 N 0.00 1.00 -5.08 3.23 3.08 -1.89 -3.28 114.38 111.44 1gpt h ARG 39 Ca 0.00 -0.39 -0.66 0.00 0.07 0.00 0.00 59.98 59.00 1gpt h ARG 39 Cb 0.00 -0.05 -0.16 0.00 0.08 0.00 0.00 29.97 29.83 1gpt h ARG 39 CO 0.00 1.07 -0.15 0.50 -1.07 0.00 0.00 179.97 180.31 1gpt s ARG 40 N -4.80 3.48 0.65 0.04 3.00 -1.25 0.16 118.95 120.23 1gpt s ARG 40 Ca -0.12 -0.38 -0.17 0.00 -1.00 0.00 0.00 55.73 54.07 1gpt s ARG 40 Cb 0.12 -3.85 -0.01 0.00 0.00 0.00 0.00 34.95 31.22 1gpt s ARG 40 CO 0.86 -0.66 1.20 0.00 0.00 0.00 0.00 175.30 176.70 1gpt s LYS 42 N -3.61 1.42 0.50 0.00 2.20 0.11 -0.93 119.74 119.44 1gpt s LYS 42 Ca 0.75 -1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.05 1gpt s LYS 42 Cb -0.29 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.36 1gpt s LYS 42 CO 0.38 -0.76 0.87 0.00 -0.36 0.00 0.00 175.35 175.48 1gpt s MET 44 N -4.60 3.10 0.03 0.00 1.00 0.36 -1.30 119.30 117.90 1gpt s MET 44 Ca 0.51 -0.83 -0.20 0.00 0.00 0.00 0.00 55.69 55.17 1gpt s MET 44 Cb -0.10 -2.38 0.04 0.00 0.00 0.00 0.00 34.83 32.39 1gpt s MET 44 CO 0.43 0.20 0.46 -0.98 0.00 0.00 0.00 175.02 175.14 1gpt s ARG 45 N 0.30 0.94 0.17 2.03 1.70 -0.99 -2.07 118.95 121.05 1gpt s ARG 45 Ca -0.16 -0.24 -0.33 0.00 -0.47 0.00 0.00 55.73 54.52 1gpt s ARG 45 Cb -0.17 0.43 -0.15 0.00 -0.57 0.00 0.00 34.95 34.49 1gpt s ARG 45 CO 0.08 -0.32 1.41 0.54 -1.08 0.00 0.00 175.30 175.93 1gpt n ARG 46 N 0.60 1.77 0.00 3.89 3.00 -1.26 -0.43 116.66 124.23 1gpt n ARG 46 Ca -0.19 0.64 0.00 0.00 -0.01 0.00 0.00 57.85 58.29 1gpt n ARG 46 Cb 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.75 1gpt n ARG 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63