#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s GLU 5 N 0.00 2.54 0.11 5.56 2.12 -1.26 -1.02 118.70 126.75 3cma s GLU 5 Ca 0.00 -0.75 -0.31 0.00 0.36 0.00 0.00 54.97 54.27 3cma s GLU 5 Cb 0.00 -2.33 -0.09 0.00 0.26 0.00 0.00 34.13 31.97 3cma s GLU 5 CO 0.00 0.54 1.58 0.00 -0.54 0.00 0.00 175.26 176.85 3cma n ASP 7 N 4.80 0.00 0.00 0.00 8.00 -0.51 -0.74 116.55 128.10 3cma n ASP 7 Ca 0.15 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3cma n ASP 7 Cb 0.40 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3cma n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma n TYR 8 N -1.16 0.00 0.81 1.24 9.36 -1.26 -4.78 117.16 121.38 3cma n TYR 8 Ca 0.06 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.41 3cma n TYR 8 Cb 0.06 0.00 0.34 0.00 -0.63 0.00 0.00 39.34 39.11 3cma n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cma n GLY 10 N 1.42 0.58 3.98 0.00 0.00 0.08 -1.11 105.19 110.14 3cma n GLY 10 Ca 0.05 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 3cma n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cma s THR 11 N -1.98 3.80 0.41 2.61 -4.23 -1.26 -4.60 115.64 110.38 3cma s THR 11 Ca 0.00 -0.79 -0.25 0.00 -1.18 0.00 0.00 61.69 59.47 3cma s THR 11 Cb 0.00 -3.35 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 3cma s THR 11 CO 0.00 -0.19 1.21 -1.81 -0.54 0.00 0.00 174.62 173.30 3cma s ASP 12 N -4.23 6.41 -0.28 3.99 1.01 -1.26 0.28 116.67 122.58 3cma s ASP 12 Ca 0.48 2.45 -0.13 0.00 0.71 0.00 0.00 52.55 56.06 3cma s ASP 12 Cb -0.10 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3cma s ASP 12 CO 0.34 -0.76 0.29 -0.63 0.21 0.00 0.00 175.17 174.62 3cma s ILE 13 N -1.37 5.24 -0.20 0.77 1.01 -0.19 -4.79 121.20 121.67 3cma s ILE 13 Ca 0.58 0.32 -0.36 0.00 0.00 0.00 0.00 60.65 61.19 3cma s ILE 13 Cb -0.33 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 3cma s ILE 13 CO 0.42 0.17 1.93 1.21 0.00 0.00 0.00 174.94 178.67 3cma n GLU 14 N 5.21 1.67 -1.60 2.79 4.07 -1.26 -4.60 120.64 126.92 3cma n GLU 14 Ca -0.11 0.58 -0.43 0.00 -0.06 0.00 0.00 57.16 57.15 3cma n GLU 14 Cb 0.51 -2.49 -0.00 0.00 -0.06 0.00 0.00 31.44 29.40 3cma n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3cma n PRO 15 N 6.76 1.39 -2.48 5.31 -0.04 -1.26 -2.24 135.00 142.44 3cma n PRO 15 Ca 0.28 0.49 -0.05 0.00 -0.04 0.00 0.00 63.50 64.18 3cma n PRO 15 Cb 0.24 -1.96 0.02 0.00 -0.04 0.00 0.00 33.50 31.77 3cma n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cma n GLY 16 N 1.19 0.32 3.55 0.55 0.00 -1.26 -5.04 105.19 104.50 3cma n GLY 16 Ca 0.09 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 3cma n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cma s THR 17 N -3.09 0.00 0.06 2.61 2.01 -0.95 -5.17 115.64 111.11 3cma s THR 17 Ca 0.04 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3cma s THR 17 Cb -0.02 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.22 3cma s THR 17 CO 0.19 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 3cma n GLY 18 N -0.36 -1.77 3.30 4.40 0.00 -1.26 -4.88 105.19 104.62 3cma n GLY 18 Ca -0.11 -1.46 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 3cma n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cma s THR 19 N -1.78 1.52 -0.18 2.61 2.01 -0.46 -5.00 115.64 114.37 3cma s THR 19 Ca 0.00 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.98 3cma s THR 19 Cb 0.00 -1.85 0.04 0.00 0.01 0.00 0.00 72.50 70.70 3cma s THR 19 CO 0.00 -0.55 -0.09 -0.32 -0.69 0.00 0.00 174.62 172.96 3cma s MET 20 N -3.33 1.88 -0.16 4.92 1.75 -1.26 -0.03 119.30 123.08 3cma s MET 20 Ca 0.17 -0.67 -0.18 0.00 -1.25 0.00 0.00 55.69 53.77 3cma s MET 20 Cb -0.02 -2.20 -0.04 0.00 2.84 0.00 0.00 34.83 35.42 3cma s MET 20 CO 0.04 -0.38 0.48 0.12 -0.65 0.00 0.00 175.02 174.63 3cma s PHE 21 N 1.50 3.45 -0.43 4.11 5.36 0.55 -4.89 117.98 127.64 3cma s PHE 21 Ca 0.01 0.81 -0.17 0.00 -0.96 0.00 0.00 56.93 56.62 3cma s PHE 21 Cb -0.15 -2.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.97 3cma s PHE 21 CO -0.09 0.06 0.44 0.08 -1.46 0.00 0.00 175.22 174.25 3cma s VAL 22 N 1.03 5.09 1.05 3.12 1.01 -1.26 -0.70 120.40 129.75 3cma s VAL 22 Ca 0.24 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3cma s VAL 22 Cb -0.15 -4.05 0.22 0.00 0.00 0.00 0.00 36.38 32.40 3cma s VAL 22 CO 0.10 -0.44 1.07 -1.00 0.00 0.00 0.00 175.10 174.83 3cma s HIS 23 N 2.11 1.85 0.17 5.22 0.09 -0.23 -4.91 115.29 119.59 3cma s HIS 23 Ca 0.12 1.07 -0.13 0.00 -0.00 0.00 0.00 55.06 56.11 3cma s HIS 23 Cb -0.17 -3.21 0.06 0.00 -0.00 0.00 0.00 32.58 29.26 3cma s HIS 23 CO 0.13 -3.22 1.74 -0.22 -0.00 0.00 0.00 174.74 173.18 3cma h LYS 24 N -2.14 0.82 0.00 1.40 3.64 -1.98 -2.49 116.57 115.83 3cma h LYS 24 Ca -0.57 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 3cma h LYS 24 Cb 1.33 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3cma h LYS 24 CO 0.55 0.68 0.00 -0.40 -2.27 0.00 0.00 179.45 178.01 3cma n ASP 25 N -4.54 0.09 0.00 4.20 3.85 -1.26 -4.84 116.55 114.05 3cma n ASP 25 Ca 0.03 0.52 0.00 0.00 -0.71 0.00 0.00 54.79 54.63 3cma n ASP 25 Cb 0.13 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.36 3cma n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cma n GLY 26 N 0.33 1.58 3.30 6.12 0.00 -0.94 -5.08 105.19 110.49 3cma n GLY 26 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3cma n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma n ALA 27 N -0.74 -3.80 -3.24 4.61 0.00 -1.26 -4.62 120.51 111.46 3cma n ALA 27 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 3cma n ALA 27 Cb 0.00 -1.55 -0.14 0.00 0.00 0.00 0.00 19.45 17.75 3cma n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cma s THR 28 N -2.27 -0.02 -0.14 0.00 2.01 -1.26 -1.06 115.64 112.90 3cma s THR 28 Ca 0.54 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.62 3cma s THR 28 Cb -0.14 -0.09 0.04 0.00 0.01 0.00 0.00 72.50 72.32 3cma s THR 28 CO 0.67 0.03 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.71 3cma s THR 29 N 0.44 0.92 -0.41 -0.82 2.01 0.13 -4.97 115.64 112.93 3cma s THR 29 Ca -0.04 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 3cma s THR 29 Cb -0.05 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.39 3cma s THR 29 CO -0.01 0.17 0.68 -1.00 -0.69 0.00 0.00 174.62 173.77 3cma s HIS 30 N 1.73 3.08 -0.16 4.92 3.76 -1.26 -0.33 115.29 127.02 3cma s HIS 30 Ca 0.02 0.14 -0.08 0.00 -0.15 0.00 0.00 55.06 54.99 3cma s HIS 30 Cb -0.14 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.14 3cma s HIS 30 CO -0.07 -0.82 0.12 -0.06 -0.85 0.00 0.00 174.74 173.05 3cma s PHE 31 N 2.90 3.45 -0.23 1.40 0.40 0.96 -1.42 117.98 125.44 3cma s PHE 31 Ca 0.25 0.36 0.18 0.00 -0.60 0.00 0.00 56.93 57.12 3cma s PHE 31 Cb -0.14 -2.05 0.09 0.00 0.51 0.00 0.00 43.02 41.43 3cma s PHE 31 CO 0.19 0.45 1.34 0.00 0.70 0.00 0.00 175.22 177.89 3cma s SER 33 N -6.17 -0.11 0.15 0.00 1.04 -1.26 -4.25 113.70 103.09 3cma s SER 33 Ca 0.03 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 3cma s SER 33 Cb 0.07 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 3cma s SER 33 CO 0.74 -1.05 1.55 0.77 0.98 0.00 0.00 173.24 176.23 3cma h SER 34 N 2.31 0.93 -0.73 7.02 4.64 -1.99 -2.46 113.55 123.27 3cma h SER 34 Ca -0.28 -0.37 0.16 0.00 -0.47 0.00 0.00 61.79 60.82 3cma h SER 34 Cb 1.25 -0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.97 3cma h SER 34 CO 0.39 1.09 0.18 0.50 -0.87 0.00 0.00 176.83 178.12 3cma h LYS 35 N 0.76 0.26 -0.17 4.77 3.64 -1.98 0.69 116.57 124.54 3cma h LYS 35 Ca 0.11 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3cma h LYS 35 Cb 0.70 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3cma h LYS 35 CO 0.05 0.17 -0.10 0.00 -2.27 0.00 0.00 179.45 177.31 3cma h GLU 37 N 0.05 0.49 -0.23 0.00 5.08 -0.54 -1.39 114.58 118.03 3cma h GLU 37 Ca 0.04 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3cma h GLU 37 Cb 0.59 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3cma h GLU 37 CO 0.03 0.32 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.13 3cma h ASN 38 N 0.51 0.48 0.83 1.42 2.35 0.46 -1.07 115.58 120.55 3cma h ASN 38 Ca 0.34 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 3cma h ASN 38 Cb 0.41 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3cma h ASN 38 CO -0.30 0.78 -0.58 0.78 -1.65 0.00 0.00 177.43 176.45 3cma h ASN 39 N 0.41 0.00 -0.17 5.81 4.21 -0.92 -2.76 115.58 122.16 3cma h ASN 39 Ca 0.05 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.49 3cma h ASN 39 Cb 0.76 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 3cma h ASN 39 CO 0.06 0.58 -0.18 0.00 -1.29 0.00 0.00 177.43 176.60 3cma h ALA 40 N 1.42 0.25 -0.82 -0.83 0.00 -0.91 -1.98 119.26 116.38 3cma h ALA 40 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.62 3cma h ALA 40 Cb 1.16 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3cma h ALA 40 CO 0.08 0.16 0.54 -0.44 0.00 0.00 0.00 179.25 179.59 3cma h ASP 41 N 0.06 0.79 0.11 0.00 3.32 -1.09 0.34 116.42 119.94 3cma h ASP 41 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3cma h ASP 41 Cb 0.73 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3cma h ASP 41 CO 0.04 0.50 0.00 0.18 -1.72 0.00 0.00 179.24 178.25 3cma n LEU 42 N -4.49 0.00 0.00 1.55 4.77 -1.05 -4.82 117.00 112.96 3cma n LEU 42 Ca 0.12 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3cma n LEU 42 Cb 0.22 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3cma n LEU 42 CO 0.33 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3cma n GLY 43 N -0.19 0.44 3.84 -0.72 0.00 0.12 -5.05 105.19 103.63 3cma n GLY 43 Ca 0.08 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 3cma n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cma s ARG 44 N -1.82 4.05 -0.24 1.61 0.52 -0.75 -5.03 118.95 117.28 3cma s ARG 44 Ca 0.00 0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 55.76 3cma s ARG 44 Cb 0.00 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 3cma s ARG 44 CO 0.00 0.37 0.05 -1.21 0.02 0.00 0.00 175.30 174.53 3cma s GLU 45 N -2.28 3.64 0.31 3.54 2.02 -1.26 -4.45 118.70 120.23 3cma s GLU 45 Ca 0.44 -0.49 0.22 0.00 0.02 0.00 0.00 54.97 55.16 3cma s GLU 45 Cb -0.14 -3.27 1.08 0.00 0.10 0.00 0.00 34.13 31.90 3cma s GLU 45 CO 0.20 -0.15 1.16 0.00 0.02 0.00 0.00 175.26 176.48 3cma n ALA 46 N 4.79 0.95 0.50 5.21 0.00 -1.26 0.11 120.51 130.81 3cma n ALA 46 Ca -0.16 0.67 0.08 0.00 0.00 0.00 0.00 53.44 54.03 3cma n ALA 46 Cb 0.51 -0.78 0.36 0.00 0.00 0.00 0.00 19.45 19.54 3cma n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cma n ARG 47 N -4.29 0.04 0.00 0.00 1.74 -1.26 -2.33 116.66 110.56 3cma n ARG 47 Ca 0.29 0.27 0.10 0.00 -0.77 0.00 0.00 57.85 57.74 3cma n ARG 47 Cb 1.11 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3cma n ARG 47 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3cma n ASN 48 N -1.65 1.91 -4.32 0.55 3.02 0.30 -4.70 115.26 110.37 3cma n ASN 48 Ca 0.03 -1.45 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 3cma n ASN 48 Cb 0.19 0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 3cma n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cma s LEU 49 N -2.27 5.54 0.50 3.41 1.43 -0.98 -4.98 118.68 121.34 3cma s LEU 49 Ca 0.17 -1.52 0.39 0.00 -1.03 0.00 0.00 54.13 52.14 3cma s LEU 49 Cb 0.16 -2.10 1.57 0.00 0.03 0.00 0.00 46.19 45.85 3cma s LEU 49 CO 0.49 -0.64 1.64 -0.33 0.23 0.00 0.00 176.35 177.74 3cma h GLU 50 N 8.62 0.04 -0.02 1.70 5.08 -1.87 0.15 114.58 128.27 3cma h GLU 50 Ca -0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3cma h GLU 50 Cb 1.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3cma h GLU 50 CO 0.86 0.03 0.00 -2.67 -1.00 0.00 0.00 179.01 176.23 3cma n TRP 51 N -4.30 0.02 -2.83 4.33 4.27 -1.26 -4.11 117.44 113.57 3cma n TRP 51 Ca 0.38 -0.01 -0.41 0.00 -3.89 0.00 0.00 57.50 53.56 3cma n TRP 51 Cb 1.62 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 31.53 3cma n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 3cma s THR 52 N -1.98 4.87 0.32 -1.67 2.01 0.51 -4.92 115.64 114.79 3cma s THR 52 Ca 0.37 1.86 0.08 0.00 0.31 0.00 0.00 61.69 64.31 3cma s THR 52 Cb 0.18 -4.23 0.32 0.00 0.01 0.00 0.00 72.50 68.77 3cma s THR 52 CO 0.29 0.22 1.80 0.44 -0.69 0.00 0.00 174.62 176.67 3cma h ASP 53 N 6.57 0.73 0.33 3.53 5.19 -1.67 0.60 116.42 131.70 3cma h ASP 53 Ca -0.41 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3cma h ASP 53 Cb 1.21 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 3cma h ASP 53 CO 0.74 0.27 -0.32 0.74 -3.12 0.00 0.00 179.24 177.56 3cma h THR 54 N 0.72 0.34 0.00 0.35 2.02 -1.42 -3.35 112.91 111.56 3cma h THR 54 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 3cma h THR 54 Cb 0.93 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3cma h THR 54 CO -0.33 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.56 3cma n ALA 55 N -2.61 0.00 1.64 6.16 0.00 0.13 -4.95 120.51 120.89 3cma n ALA 55 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3cma n ALA 55 Cb 0.34 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.57 3cma n ALA 55 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39