#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s GLU 5 N 0.00 1.63 -0.03 5.56 2.12 -1.26 -1.93 118.70 124.79 3g6e s GLU 5 Ca 0.00 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 3g6e s GLU 5 Cb 0.00 -1.62 -0.06 0.00 0.26 0.00 0.00 34.13 32.72 3g6e s GLU 5 CO 0.00 0.44 1.59 0.00 -0.54 0.00 0.00 175.26 176.75 3g6e n ASP 7 N 6.58 0.00 0.00 0.00 8.00 -0.62 -2.06 116.55 128.45 3g6e n ASP 7 Ca 0.16 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3g6e n ASP 7 Cb 0.43 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3g6e n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6e n TYR 8 N -1.01 0.00 0.02 1.24 9.36 -1.26 -4.90 117.16 120.61 3g6e n TYR 8 Ca 0.07 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.12 3g6e n TYR 8 Cb 0.03 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.67 3g6e n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3g6e n GLY 10 N 0.87 0.80 3.90 0.00 0.00 -0.88 -1.17 105.19 108.72 3g6e n GLY 10 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3g6e n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6e s THR 11 N -2.00 3.35 -0.20 2.61 -4.23 -1.26 -4.66 115.64 109.26 3g6e s THR 11 Ca 0.00 0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 3g6e s THR 11 Cb 0.00 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3g6e s THR 11 CO 0.00 -0.45 1.07 -1.81 -0.54 0.00 0.00 174.62 172.89 3g6e s ASP 12 N -4.36 7.10 -0.11 3.99 1.01 -1.26 -1.34 116.67 121.69 3g6e s ASP 12 Ca 0.57 1.46 -0.30 0.00 0.71 0.00 0.00 52.55 54.99 3g6e s ASP 12 Cb -0.11 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3g6e s ASP 12 CO 0.48 -0.65 1.36 -0.63 0.21 0.00 0.00 175.17 175.94 3g6e s ILE 13 N 3.05 4.05 0.13 0.77 1.01 -0.81 -4.93 121.20 124.47 3g6e s ILE 13 Ca 0.46 1.31 -0.31 0.00 0.00 0.00 0.00 60.65 62.11 3g6e s ILE 13 Cb -0.17 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 3g6e s ILE 13 CO 0.09 -0.09 1.81 -0.70 0.00 0.00 0.00 174.94 176.05 3g6e s GLU 14 N 3.36 4.14 0.36 2.79 2.56 -1.26 -4.48 118.70 126.16 3g6e s GLU 14 Ca 0.60 2.58 -0.28 0.00 0.00 0.00 0.00 54.97 57.87 3g6e s GLU 14 Cb -0.26 -3.53 -0.11 0.00 2.00 0.00 0.00 34.13 32.23 3g6e s GLU 14 CO 0.20 -0.83 1.49 -1.25 -0.56 0.00 0.00 175.26 174.32 3g6e s PRO 15 N 2.55 4.13 0.00 4.30 0.04 -1.26 -2.76 135.00 142.00 3g6e s PRO 15 Ca 0.80 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.38 3g6e s PRO 15 Cb -0.46 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3g6e s PRO 15 CO 0.36 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.28 3g6e n GLY 16 N 0.82 0.67 3.23 0.56 0.00 -1.26 -5.05 105.19 104.16 3g6e n GLY 16 Ca 0.02 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 3g6e n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s THR 17 N -2.00 0.13 0.00 2.61 2.01 -1.11 -5.17 115.64 112.11 3g6e s THR 17 Ca 0.00 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.87 3g6e s THR 17 Cb 0.00 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3g6e s THR 17 CO 0.00 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 3g6e n GLY 18 N -0.10 0.12 3.24 4.40 0.00 -1.26 -4.85 105.19 106.74 3g6e n GLY 18 Ca -0.14 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 3g6e n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s THR 19 N -2.20 1.55 -0.25 2.61 2.01 -1.02 -5.00 115.64 113.34 3g6e s THR 19 Ca 0.00 -1.28 -0.00 0.00 0.31 0.00 0.00 61.69 60.72 3g6e s THR 19 Cb 0.00 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.16 3g6e s THR 19 CO 0.00 0.06 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.59 3g6e s MET 20 N -1.43 2.70 -0.18 4.92 1.75 -1.26 -0.38 119.30 125.41 3g6e s MET 20 Ca 0.06 -1.06 -0.16 0.00 -1.25 0.00 0.00 55.69 53.27 3g6e s MET 20 Cb -0.09 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.61 3g6e s MET 20 CO 0.02 -0.43 0.41 0.12 -0.65 0.00 0.00 175.02 174.50 3g6e s PHE 21 N 1.27 3.41 -0.35 4.11 5.36 0.19 -4.93 117.98 127.02 3g6e s PHE 21 Ca -0.02 0.67 -0.12 0.00 -0.96 0.00 0.00 56.93 56.51 3g6e s PHE 21 Cb -0.17 -2.53 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 3g6e s PHE 21 CO -0.05 0.04 0.21 0.08 -1.46 0.00 0.00 175.22 174.04 3g6e s VAL 22 N 1.14 4.85 1.00 3.12 1.01 -1.26 -1.06 120.40 129.20 3g6e s VAL 22 Ca 0.20 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 3g6e s VAL 22 Cb -0.15 -3.59 0.19 0.00 0.00 0.00 0.00 36.38 32.83 3g6e s VAL 22 CO 0.08 -0.11 1.09 -1.00 0.00 0.00 0.00 175.10 175.16 3g6e s HIS 23 N 1.63 2.11 0.16 5.22 0.09 0.39 -4.95 115.29 119.94 3g6e s HIS 23 Ca 0.04 1.00 -0.16 0.00 -0.00 0.00 0.00 55.06 55.94 3g6e s HIS 23 Cb -0.18 -3.26 0.05 0.00 -0.00 0.00 0.00 32.58 29.18 3g6e s HIS 23 CO 0.08 -2.87 1.78 -0.22 -0.00 0.00 0.00 174.74 173.51 3g6e h LYS 24 N -1.88 0.40 0.00 1.40 3.64 -1.98 -2.64 116.57 115.51 3g6e h LYS 24 Ca -0.54 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3g6e h LYS 24 Cb 1.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3g6e h LYS 24 CO 0.57 0.27 0.00 0.38 -2.27 0.00 0.00 179.45 178.40 3g6e h ASP 25 N 0.41 0.00 0.00 4.20 -0.00 -2.05 -3.46 116.42 115.53 3g6e h ASP 25 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 3g6e h ASP 25 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 3g6e h ASP 25 CO -0.10 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.75 3g6e n GLY 26 N 0.10 1.63 3.71 7.15 0.00 -0.99 -5.10 105.19 111.68 3g6e n GLY 26 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3g6e n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e n ALA 27 N -0.01 1.33 -3.30 4.61 0.00 -1.26 -4.68 120.51 117.20 3g6e n ALA 27 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 3g6e n ALA 27 Cb 0.00 -2.29 -0.16 0.00 0.00 0.00 0.00 19.45 17.00 3g6e n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g6e s THR 28 N -1.26 2.52 -0.21 0.00 2.01 -1.26 -0.46 115.64 116.97 3g6e s THR 28 Ca 0.66 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.82 3g6e s THR 28 Cb -0.46 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.07 3g6e s THR 28 CO 0.54 0.54 -0.07 -0.89 -0.69 0.00 0.00 174.62 174.04 3g6e s THR 29 N 0.54 1.53 -0.06 -0.82 2.01 -0.22 -5.00 115.64 113.62 3g6e s THR 29 Ca -0.11 -1.08 -0.23 0.00 0.31 0.00 0.00 61.69 60.58 3g6e s THR 29 Cb -0.16 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3g6e s THR 29 CO 0.04 0.03 0.68 -1.00 -0.69 0.00 0.00 174.62 173.68 3g6e s HIS 30 N 1.42 3.59 0.08 4.92 3.76 -1.26 -0.64 115.29 127.16 3g6e s HIS 30 Ca -0.03 1.23 0.09 0.00 -0.15 0.00 0.00 55.06 56.19 3g6e s HIS 30 Cb -0.17 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 3g6e s HIS 30 CO -0.07 0.13 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.66 3g6e s PHE 31 N 0.64 2.42 -0.10 1.40 0.40 0.49 -1.58 117.98 121.64 3g6e s PHE 31 Ca 0.36 -0.34 0.16 0.00 -0.60 0.00 0.00 56.93 56.51 3g6e s PHE 31 Cb -0.18 -1.37 -0.17 0.00 0.51 0.00 0.00 43.02 41.82 3g6e s PHE 31 CO 0.18 0.25 0.75 0.00 0.70 0.00 0.00 175.22 177.10 3g6e s SER 33 N -5.83 0.28 0.23 0.00 1.04 -1.26 -4.30 113.70 103.85 3g6e s SER 33 Ca -0.04 -1.17 0.06 0.00 0.48 0.00 0.00 55.95 55.29 3g6e s SER 33 Cb 0.08 0.72 0.22 0.00 0.10 0.00 0.00 66.02 67.14 3g6e s SER 33 CO 0.82 -1.41 1.53 0.77 0.98 0.00 0.00 173.24 175.93 3g6e h SER 34 N 2.09 0.18 -0.70 7.02 4.64 -1.99 -3.12 113.55 121.66 3g6e h SER 34 Ca -0.28 -0.11 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 3g6e h SER 34 Cb 1.25 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3g6e h SER 34 CO 0.37 0.79 0.41 0.50 -0.87 0.00 0.00 176.83 178.04 3g6e h LYS 35 N 0.10 0.74 -0.12 4.77 3.64 -1.99 -0.17 116.57 123.55 3g6e h LYS 35 Ca -0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 3g6e h LYS 35 Cb 1.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3g6e h LYS 35 CO 0.10 0.49 -0.62 0.00 -2.27 0.00 0.00 179.45 177.15 3g6e h GLU 37 N 0.31 0.79 -0.09 0.00 5.08 -1.35 -2.44 114.58 116.89 3g6e h GLU 37 Ca -0.01 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 3g6e h GLU 37 Cb 1.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3g6e h GLU 37 CO 0.11 0.87 -0.57 -0.91 -1.00 0.00 0.00 179.01 177.50 3g6e h ASN 38 N 0.63 0.33 0.39 1.42 2.35 -1.01 -2.05 115.58 117.64 3g6e h ASN 38 Ca 0.12 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 3g6e h ASN 38 Cb 0.52 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3g6e h ASN 38 CO 0.03 0.83 -0.60 0.78 -1.65 0.00 0.00 177.43 176.82 3g6e h ASN 39 N 0.22 0.23 0.11 5.81 4.21 -1.31 -2.75 115.58 122.11 3g6e h ASN 39 Ca -0.00 -0.13 -0.16 0.00 1.21 0.00 0.00 56.30 57.21 3g6e h ASN 39 Cb 1.07 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 3g6e h ASN 39 CO 0.09 0.78 -0.59 0.00 -1.29 0.00 0.00 177.43 176.42 3g6e h ALA 40 N 1.22 0.69 0.00 -0.83 0.00 -1.29 -2.75 119.26 116.31 3g6e h ALA 40 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3g6e h ALA 40 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3g6e h ALA 40 CO 0.09 0.70 -0.24 -0.44 0.00 0.00 0.00 179.25 179.37 3g6e h ASP 41 N 0.37 0.00 -0.01 0.00 3.32 -1.27 -2.45 116.42 116.38 3g6e h ASP 41 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g6e h ASP 41 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3g6e h ASP 41 CO 0.11 0.24 0.00 0.18 -1.72 0.00 0.00 179.24 178.04 3g6e n LEU 42 N -3.39 0.14 0.00 1.55 4.77 -1.05 -4.88 117.00 114.15 3g6e n LEU 42 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3g6e n LEU 42 Cb 0.44 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3g6e n LEU 42 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3g6e n GLY 43 N 0.95 0.45 3.76 -0.72 0.00 -0.92 -5.02 105.19 103.68 3g6e n GLY 43 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3g6e n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g6e s ARG 44 N -0.24 4.79 -0.21 1.61 0.52 -1.06 -5.04 118.95 119.32 3g6e s ARG 44 Ca 0.00 1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 56.57 3g6e s ARG 44 Cb 0.00 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 3g6e s ARG 44 CO 0.00 0.46 0.11 -1.21 0.02 0.00 0.00 175.30 174.68 3g6e s GLU 45 N -1.39 4.05 0.55 3.54 2.02 -1.26 -4.44 118.70 121.77 3g6e s GLU 45 Ca 0.43 -0.29 0.40 0.00 0.02 0.00 0.00 54.97 55.53 3g6e s GLU 45 Cb -0.24 -3.37 1.60 0.00 0.10 0.00 0.00 34.13 32.22 3g6e s GLU 45 CO 0.30 0.20 1.73 0.00 0.02 0.00 0.00 175.26 177.51 3g6e h ALA 46 N 7.00 3.33 -0.00 5.21 0.00 -1.95 -1.48 119.26 131.37 3g6e h ALA 46 Ca -0.38 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3g6e h ALA 46 Cb 1.16 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3g6e h ALA 46 CO 0.70 -1.74 -0.28 0.00 0.00 0.00 0.00 179.25 177.93 3g6e h ARG 47 N 0.00 0.00 -0.00 0.00 3.08 -1.90 -3.05 114.38 112.51 3g6e h ARG 47 Ca 0.67 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.72 3g6e h ARG 47 Cb 2.70 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.75 3g6e h ARG 47 CO -0.01 0.28 -0.28 0.09 -1.07 0.00 0.00 179.97 178.98 3g6e n ASN 48 N -4.21 0.30 -4.48 7.04 3.02 -0.55 -4.57 115.26 111.81 3g6e n ASN 48 Ca -0.02 0.05 -0.38 0.00 -0.03 0.00 0.00 54.58 54.20 3g6e n ASN 48 Cb 0.32 -0.07 -0.12 0.00 -0.61 0.00 0.00 39.78 39.31 3g6e n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g6e s LEU 49 N -2.98 3.93 0.52 3.41 1.43 -1.15 -5.02 118.68 118.82 3g6e s LEU 49 Ca 0.13 -0.33 0.20 0.00 -1.03 0.00 0.00 54.13 53.10 3g6e s LEU 49 Cb 0.18 -2.01 1.32 0.00 0.03 0.00 0.00 46.19 45.71 3g6e s LEU 49 CO 0.62 -0.12 2.08 -0.33 0.23 0.00 0.00 176.35 178.83 3g6e h GLU 50 N 8.33 0.00 0.00 1.70 5.08 -1.86 -2.80 114.58 125.03 3g6e h GLU 50 Ca -0.34 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3g6e h GLU 50 Cb 1.16 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3g6e h GLU 50 CO 0.59 0.00 -0.14 0.11 -1.00 0.00 0.00 179.01 178.57 3g6e h TRP 51 N 0.00 0.00 -3.85 4.33 5.08 -1.95 -3.42 115.95 116.15 3g6e h TRP 51 Ca 0.11 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.58 3g6e h TRP 51 Cb 0.44 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.62 3g6e h TRP 51 CO -0.00 0.14 0.47 0.99 -1.28 0.00 0.00 178.44 178.77 3g6e s THR 52 N -3.61 3.47 0.33 0.12 2.01 -1.06 -4.99 115.64 111.92 3g6e s THR 52 Ca 0.01 1.40 0.14 0.00 0.31 0.00 0.00 61.69 63.55 3g6e s THR 52 Cb 0.09 -3.86 0.09 0.00 0.01 0.00 0.00 72.50 68.83 3g6e s THR 52 CO 0.61 0.27 1.79 0.44 -0.69 0.00 0.00 174.62 177.04 3g6e h ASP 53 N 3.49 0.00 0.79 3.53 5.19 -1.67 -2.59 116.42 125.15 3g6e h ASP 53 Ca -0.47 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.91 3g6e h ASP 53 Cb 1.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 3g6e h ASP 53 CO 0.66 0.40 -0.12 0.74 -3.12 0.00 0.00 179.24 177.80 3g6e h THR 54 N 0.00 0.36 0.00 0.35 2.02 -1.44 -3.14 112.91 111.06 3g6e h THR 54 Ca -0.00 -0.75 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 3g6e h THR 54 Cb 0.75 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3g6e h THR 54 CO 0.05 0.12 -0.64 0.00 0.37 0.00 0.00 175.52 175.43 3g6e h ALA 55 N 1.88 0.13 -0.00 6.16 0.00 -1.65 -3.45 119.26 122.33 3g6e h ALA 55 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3g6e h ALA 55 Cb 0.55 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3g6e h ALA 55 CO 0.02 0.37 0.00 2.89 0.00 0.00 0.00 179.25 182.52