#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 2.54 -0.03 5.15 -1.09 -1.26 -0.34 121.20 126.16 1gpt s ILE 2 Ca 0.00 -1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 57.15 1gpt s ILE 2 Cb 0.00 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.57 1gpt s ILE 2 CO 0.00 0.27 0.57 0.00 -1.23 0.00 0.00 174.94 174.55 1gpt s ARG 4 N 0.03 1.37 0.11 0.00 3.00 -1.26 -1.12 118.95 121.08 1gpt s ARG 4 Ca 0.30 -1.00 0.10 0.00 0.00 0.00 0.00 55.73 55.12 1gpt s ARG 4 Cb -0.17 -2.51 -0.04 0.00 0.00 0.00 0.00 34.95 32.23 1gpt s ARG 4 CO 0.16 -0.68 -0.24 1.03 0.00 0.00 0.00 175.30 175.56 1gpt s ARG 5 N 1.44 1.29 -0.05 3.54 1.81 -0.43 -4.92 118.95 121.63 1gpt s ARG 5 Ca -0.02 -1.24 -0.27 0.00 -1.72 0.00 0.00 55.73 52.48 1gpt s ARG 5 Cb -0.18 -1.66 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 1gpt s ARG 5 CO -0.09 0.39 0.86 1.03 -0.68 0.00 0.00 175.30 176.81 1gpt s ARG 6 N -1.94 4.48 -0.76 3.54 0.52 -1.26 0.13 118.95 123.67 1gpt s ARG 6 Ca 0.10 1.17 -0.25 0.00 -0.52 0.00 0.00 55.73 56.23 1gpt s ARG 6 Cb -0.10 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1gpt s ARG 6 CO 0.05 -0.04 1.93 0.45 0.02 0.00 0.00 175.30 177.71 1gpt s SER 7 N 0.94 5.16 -0.75 0.23 0.15 -0.44 -4.92 113.70 114.07 1gpt s SER 7 Ca 0.45 -0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.67 1gpt s SER 7 Cb -0.19 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1gpt s SER 7 CO 0.22 -2.60 1.43 0.00 1.20 0.00 0.00 173.24 173.50 1gpt s ALA 8 N 9.76 2.60 0.00 5.45 0.00 -1.26 -2.93 121.76 135.37 1gpt s ALA 8 Ca 0.70 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1gpt s ALA 8 Cb -0.10 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1gpt s ALA 8 CO 0.10 -3.50 0.00 0.41 0.00 0.00 0.00 175.76 172.77 1gpt n GLY 9 N 5.67 1.31 3.59 0.00 0.00 -1.26 -5.08 105.19 109.41 1gpt n GLY 9 Ca 0.11 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.23 2.05 -0.54 1.61 5.36 -1.15 -4.97 117.98 120.11 1gpt s PHE 10 Ca 0.00 0.64 -0.12 0.00 -0.96 0.00 0.00 56.93 56.49 1gpt s PHE 10 Cb 0.00 -4.23 0.14 0.00 -0.34 0.00 0.00 43.02 38.59 1gpt s PHE 10 CO 0.00 -2.37 0.46 0.15 -1.46 0.00 0.00 175.22 172.00 1gpt s LYS 11 N 5.66 2.80 0.00 10.12 1.02 -1.26 -4.98 119.74 133.10 1gpt s LYS 11 Ca 0.67 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1gpt s LYS 11 Cb -0.16 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 1gpt s LYS 11 CO 0.29 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 173.88 1gpt n GLY 12 N 4.86 0.24 3.91 -3.33 0.00 -1.26 -5.10 105.19 104.51 1gpt n GLY 12 Ca -0.07 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 3.58 -0.11 1.61 0.04 -1.26 -4.94 135.00 131.92 1gpt s PRO 13 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1gpt s PRO 13 Cb 0.00 -2.74 0.10 0.00 0.04 0.00 0.00 34.50 31.91 1gpt s PRO 13 CO 0.00 0.30 1.68 0.00 0.04 0.00 0.00 177.00 179.02 1gpt h VAL 15 N 0.68 1.31 -1.71 0.00 2.07 -1.76 -3.33 116.25 113.51 1gpt h VAL 15 Ca 0.12 -1.60 -0.69 0.00 0.82 0.00 0.00 66.70 65.35 1gpt h VAL 15 Cb 1.12 1.76 -0.14 0.00 -1.52 0.00 0.00 31.29 32.51 1gpt h VAL 15 CO 0.27 0.50 1.50 -0.94 0.02 0.00 0.00 177.57 178.93 1gpt s SER 16 N -6.64 6.84 0.26 0.57 1.04 -1.26 -4.89 113.70 109.62 1gpt s SER 16 Ca -0.12 -2.44 -0.03 0.00 0.48 0.00 0.00 55.95 53.84 1gpt s SER 16 Cb 0.08 -2.47 0.55 0.00 0.10 0.00 0.00 66.02 64.28 1gpt s SER 16 CO 0.84 -1.03 1.65 0.78 0.98 0.00 0.00 173.24 176.45 1gpt h ASN 17 N 7.97 -0.17 0.20 7.02 4.21 -1.93 -1.17 115.58 131.71 1gpt h ASN 17 Ca 0.30 0.19 -0.05 0.00 1.21 0.00 0.00 56.30 57.95 1gpt h ASN 17 Cb 0.92 0.30 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 1gpt h ASN 17 CO 1.30 -0.15 -0.22 0.50 -1.29 0.00 0.00 177.43 177.57 1gpt h LYS 18 N 0.17 0.05 -0.06 0.81 1.63 -1.91 -2.49 116.57 114.77 1gpt h LYS 18 Ca 0.47 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 60.03 1gpt h LYS 18 Cb 0.87 -0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.51 1gpt h LYS 18 CO -0.64 0.27 -0.85 -0.97 -3.45 0.00 0.00 179.45 173.81 1gpt h ASN 19 N 0.05 0.85 -0.71 4.20 -0.00 -1.61 0.16 115.58 118.52 1gpt h ASN 19 Ca 0.01 -0.70 0.10 0.00 -0.00 0.00 0.00 56.30 55.72 1gpt h ASN 19 Cb 0.42 -0.26 -0.08 0.00 -0.00 0.00 0.00 38.32 38.41 1gpt h ASN 19 CO 0.03 1.43 0.33 0.00 -0.00 0.00 0.00 177.43 179.21 1gpt h ALA 21 N 1.45 -0.16 0.25 0.00 0.00 -1.32 -3.01 119.26 116.47 1gpt h ALA 21 Ca 0.36 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1gpt h ALA 21 Cb 0.43 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1gpt h ALA 21 CO -0.30 -0.54 -0.47 0.37 0.00 0.00 0.00 179.25 178.31 1gpt h GLN 22 N -0.27 -0.76 -0.95 0.00 4.15 -0.22 -0.63 115.11 116.42 1gpt h GLN 22 Ca -0.02 0.05 0.23 0.00 0.77 0.00 0.00 58.65 59.68 1gpt h GLN 22 Cb 0.22 0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.01 1gpt h GLN 22 CO 0.03 -0.51 0.63 0.28 -1.93 0.00 0.00 178.83 177.33 1gpt h VAL 23 N -0.79 0.63 0.08 2.39 2.07 -0.96 0.34 116.25 120.01 1gpt h VAL 23 Ca -0.01 -0.13 -0.25 0.00 0.82 0.00 0.00 66.70 67.12 1gpt h VAL 23 Cb 0.76 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1gpt h VAL 23 CO -0.19 0.07 -1.04 0.00 0.02 0.00 0.00 177.57 176.43 1gpt h MET 25 N 0.16 1.05 -0.81 0.00 2.86 -0.22 0.63 114.93 118.60 1gpt h MET 25 Ca -0.15 -0.13 0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1gpt h MET 25 Cb 1.74 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 33.13 1gpt h MET 25 CO 0.20 0.78 0.53 0.37 1.06 0.00 0.00 176.91 179.86 1gpt h GLN 26 N 1.04 0.57 -0.46 1.72 4.15 -0.40 -2.40 115.11 119.33 1gpt h GLN 26 Ca 0.26 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 59.42 1gpt h GLN 26 Cb 0.04 -0.13 -0.14 0.00 0.21 0.00 0.00 27.48 27.47 1gpt h GLN 26 CO -0.04 0.37 0.04 0.39 -1.93 0.00 0.00 178.83 177.66 1gpt n GLU 27 N -4.52 1.93 -2.68 1.69 4.71 -0.58 -4.98 120.64 116.22 1gpt n GLU 27 Ca 0.15 -3.16 -0.04 0.00 -0.01 0.00 0.00 57.16 54.10 1gpt n GLU 27 Cb 0.47 -1.88 0.01 0.00 -1.01 0.00 0.00 31.44 29.03 1gpt n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gpt n GLY 28 N -1.11 0.66 3.36 0.62 0.00 -0.80 -5.00 105.19 102.92 1gpt n GLY 28 Ca 0.37 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.06 2.18 0.17 1.61 0.52 0.11 -4.98 118.94 115.49 1gpt s TRP 29 Ca 0.10 -0.39 -0.15 0.00 0.02 0.00 0.00 56.10 55.69 1gpt s TRP 29 Cb -0.05 -1.20 0.05 0.00 -1.15 0.00 0.00 33.47 31.12 1gpt s TRP 29 CO 0.14 0.28 1.82 0.78 0.02 0.00 0.00 176.95 179.98 1gpt h GLY 30 N 4.04 0.70 -0.47 0.98 0.00 -1.26 -3.13 103.07 103.94 1gpt h GLY 30 Ca -0.49 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 1gpt h GLY 30 CO 0.40 0.27 0.14 0.61 0.00 0.00 0.00 176.54 177.96 1gpt n GLY 31 N -1.18 1.46 3.24 4.60 0.00 -0.33 -4.86 105.19 108.13 1gpt n GLY 31 Ca 0.02 -1.11 -0.13 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 -2.01 -0.22 0.16 -0.02 0.00 -1.26 -0.51 107.32 103.45 1gpt s GLY 32 Ca 0.07 0.75 0.07 0.00 0.00 0.00 0.00 44.72 45.62 1gpt s GLY 32 CO 0.05 0.59 -0.16 0.21 0.00 0.00 0.00 173.10 173.79 1gpt s ASN 33 N -0.36 2.43 -0.97 1.64 2.47 0.12 -3.42 114.94 116.85 1gpt s ASN 33 Ca -0.05 -0.88 -0.09 0.00 0.42 0.00 0.00 52.86 52.26 1gpt s ASN 33 Cb -0.03 -0.12 0.25 0.00 -1.45 0.00 0.00 41.25 39.89 1gpt s ASN 33 CO 0.02 -0.10 0.92 0.00 -3.72 0.00 0.00 177.10 174.21 1gpt s ASP 35 N 1.37 6.90 0.35 0.00 1.11 0.26 -4.70 116.67 121.96 1gpt s ASP 35 Ca 0.25 2.21 0.00 0.00 0.18 0.00 0.00 52.55 55.19 1gpt s ASP 35 Cb -0.10 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.31 1gpt s ASP 35 CO -0.09 -0.61 0.00 0.61 1.18 0.00 0.00 175.17 176.26 1gpt n GLY 36 N 3.45 1.94 0.00 0.21 0.00 -1.26 -3.91 105.19 105.61 1gpt n GLY 36 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1gpt n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gpt n PRO 37 N 0.00 1.92 -1.55 1.61 -0.04 -1.26 -4.99 135.00 130.68 1gpt n PRO 37 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1gpt n PRO 37 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1gpt n PRO 37 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1gpt n LEU 38 N 0.00 7.56 0.00 1.53 4.77 -1.26 -4.21 117.00 125.39 1gpt n LEU 38 Ca 0.00 -4.47 0.00 0.00 -0.03 0.00 0.00 56.01 51.51 1gpt n LEU 38 Cb 0.00 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1gpt n LEU 38 CO 0.00 1.59 -0.33 0.54 -1.33 0.00 0.00 177.39 177.86 1gpt n ARG 39 N -0.67 1.39 -3.26 3.23 1.74 -1.26 -1.44 116.66 116.39 1gpt n ARG 39 Ca 0.58 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 57.22 1gpt n ARG 39 Cb 0.48 -0.83 -0.07 0.00 -1.02 0.00 0.00 32.46 31.02 1gpt n ARG 39 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1gpt s ARG 40 N -1.66 3.07 -0.60 5.56 3.52 -1.25 -2.85 118.95 124.74 1gpt s ARG 40 Ca 0.00 -1.02 -0.24 0.00 -0.13 0.00 0.00 55.73 54.35 1gpt s ARG 40 Cb 0.00 -4.09 0.05 0.00 -1.56 0.00 0.00 34.95 29.36 1gpt s ARG 40 CO 0.00 -1.09 0.96 0.00 -0.81 0.00 0.00 175.30 174.36 1gpt s LYS 42 N 4.05 3.10 0.16 0.00 2.20 -0.24 -1.33 119.74 127.68 1gpt s LYS 42 Ca 0.27 -0.61 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 1gpt s LYS 42 Cb -0.14 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 1gpt s LYS 42 CO 0.15 0.43 -0.06 0.00 -0.36 0.00 0.00 175.35 175.51 1gpt s MET 44 N -2.75 2.98 0.22 0.00 1.00 0.33 -1.32 119.30 119.77 1gpt s MET 44 Ca 0.25 -0.85 0.03 0.00 0.00 0.00 0.00 55.69 55.13 1gpt s MET 44 Cb -0.09 -2.33 -0.05 0.00 0.00 0.00 0.00 34.83 32.36 1gpt s MET 44 CO 0.16 0.08 -0.01 -0.98 0.00 0.00 0.00 175.02 174.28 1gpt s ARG 45 N 0.58 1.31 -0.36 2.03 1.70 -0.28 -0.79 118.95 123.14 1gpt s ARG 45 Ca -0.13 -1.65 -0.29 0.00 -0.47 0.00 0.00 55.73 53.18 1gpt s ARG 45 Cb -0.17 -0.59 0.02 0.00 -0.57 0.00 0.00 34.95 33.64 1gpt s ARG 45 CO 0.04 -0.09 1.14 0.50 -1.08 0.00 0.00 175.30 175.81 1gpt s ARG 46 N -3.86 3.93 0.00 3.89 6.06 -1.26 -0.60 118.95 127.11 1gpt s ARG 46 Ca 0.28 0.95 0.00 0.00 -2.50 0.00 0.00 55.73 54.46 1gpt s ARG 46 Cb 0.05 -3.82 0.00 0.00 0.06 0.00 0.00 34.95 31.25 1gpt s ARG 46 CO 0.08 -1.09 0.02 0.00 -2.50 0.00 0.00 175.30 171.80