#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jua n ASP 49 N 0.00 2.76 -0.02 3.42 4.64 -1.26 -4.60 116.55 121.49 3jua n ASP 49 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3jua n ASP 49 Cb 0.00 0.99 0.31 0.00 -1.04 0.00 0.00 41.12 41.38 3jua n ASP 49 CO 0.00 0.00 0.00 0.17 -0.82 0.00 0.00 177.20 176.55 3jua h LEU 50 N 0.00 0.53 -0.84 -2.67 -0.00 -2.07 -2.47 115.31 107.79 3jua h LEU 50 Ca -0.16 -0.08 0.21 0.00 -0.00 0.00 0.00 57.88 57.85 3jua h LEU 50 Cb 1.15 -0.14 -0.12 0.00 -0.00 0.00 0.00 40.66 41.55 3jua h LEU 50 CO 0.01 0.54 0.28 -0.08 -0.00 0.00 0.00 178.44 179.19 3jua h GLU 51 N 0.56 0.30 0.00 0.17 4.81 -2.00 -0.03 114.58 118.39 3jua h GLU 51 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3jua h GLU 51 Cb 0.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3jua h GLU 51 CO -0.00 0.20 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 3jua h ALA 52 N 1.70 1.00 0.00 2.92 0.00 -1.74 0.36 119.26 123.51 3jua h ALA 52 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.22 3jua h ALA 52 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3jua h ALA 52 CO -0.56 0.00 -1.01 -0.07 0.00 0.00 0.00 179.25 177.61 3jua h LEU 53 N 0.00 0.00 0.00 0.00 3.38 -1.13 -3.27 115.31 114.28 3jua h LEU 53 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3jua h LEU 53 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3jua h LEU 53 CO 0.00 0.95 -1.47 -0.26 0.09 0.00 0.00 178.44 177.75 3jua h PHE 54 N 0.00 0.00 0.00 1.13 0.04 -1.01 -3.37 116.94 113.73 3jua h PHE 54 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3jua h PHE 54 Cb 1.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.90 3jua h PHE 54 CO 0.00 0.69 0.00 0.09 -0.60 0.00 0.00 178.31 178.49 3jua n ASN 55 N -2.94 0.07 -0.02 2.17 4.13 0.11 -0.36 115.26 118.41 3jua n ASN 55 Ca -0.11 -0.78 0.08 0.00 1.68 0.00 0.00 54.58 55.45 3jua n ASN 55 Cb 0.90 -0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 38.95 3jua n ASN 55 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jua n ALA 56 N -0.36 2.61 -0.04 5.41 0.00 -1.26 -4.42 120.51 122.44 3jua n ALA 56 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.84 3jua n ALA 56 Cb 0.02 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 3jua n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3jua n VAL 57 N -2.25 0.61 0.16 0.00 0.24 0.51 -3.89 118.33 113.72 3jua n VAL 57 Ca -0.07 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.71 3jua n VAL 57 Cb 0.58 -0.75 -0.08 0.00 -1.47 0.00 0.00 33.84 32.12 3jua n VAL 57 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3jua h MET 58 N 0.00 -0.37 -3.22 7.34 -1.53 -1.46 -3.30 114.93 112.38 3jua h MET 58 Ca -0.24 0.03 -0.66 0.00 -3.44 0.00 0.00 59.70 55.39 3jua h MET 58 Cb 1.55 0.08 -0.39 0.00 -0.55 0.00 0.00 31.60 32.29 3jua h MET 58 CO 0.01 -0.12 -0.40 1.21 0.14 0.00 0.00 176.91 177.75 3jua s ASN 59 N -5.00 5.20 0.22 1.39 3.84 -1.26 -4.99 114.94 114.33 3jua s ASN 59 Ca -0.15 -3.67 -0.07 0.00 0.21 0.00 0.00 52.86 49.18 3jua s ASN 59 Cb 0.03 -1.74 0.17 0.00 -0.55 0.00 0.00 41.25 39.16 3jua s ASN 59 CO 0.61 -0.15 1.77 1.55 -2.79 0.00 0.00 177.10 178.08 3jua h PRO 60 N 5.81 1.16 0.00 0.43 0.13 -1.67 -2.71 132.00 135.15 3jua h PRO 60 Ca 0.12 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3jua h PRO 60 Cb 0.80 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 3jua h PRO 60 CO 0.76 0.97 -0.05 0.87 -0.23 0.00 0.00 178.00 180.32 3jua h LYS 61 N 1.12 0.00 0.00 0.86 1.57 -1.94 -3.35 116.57 114.84 3jua h LYS 61 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3jua h LYS 61 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3jua h LYS 61 CO -0.01 0.05 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 3jua n THR 62 N -3.16 0.02 -1.88 -0.16 -2.24 -1.23 -5.10 114.28 100.53 3jua n THR 62 Ca 0.00 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 3jua n THR 62 Cb 0.33 1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 70.08 3jua n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jua s ALA 63 N -0.02 3.80 -0.88 6.98 0.00 -1.02 -4.95 121.76 125.67 3jua s ALA 63 Ca 0.00 1.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 3jua s ALA 63 Cb 0.00 -3.66 0.21 0.00 0.00 0.00 0.00 23.12 19.67 3jua s ALA 63 CO 0.00 -0.88 0.87 1.21 0.00 0.00 0.00 175.76 176.96 3jua s ASN 64 N 1.42 6.79 0.35 0.00 2.47 -1.26 -5.01 114.94 119.71 3jua s ASN 64 Ca 0.72 -2.65 0.07 0.00 0.42 0.00 0.00 52.86 51.42 3jua s ASN 64 Cb -0.45 -2.25 -0.07 0.00 -1.45 0.00 0.00 41.25 37.04 3jua s ASN 64 CO 0.32 -0.64 -0.01 0.68 -3.72 0.00 0.00 177.10 173.72 3jua s VAL 65 N 0.53 1.79 0.32 -5.21 -7.23 -1.26 -5.10 120.40 104.24 3jua s VAL 65 Ca 0.22 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3jua s VAL 65 Cb -0.09 -2.78 -0.12 0.00 0.56 0.00 0.00 36.38 33.95 3jua s VAL 65 CO -0.09 -0.09 1.54 -2.65 -0.31 0.00 0.00 175.10 173.50 3jua n PRO 66 N -0.80 2.64 -3.69 4.82 -0.02 -1.26 -4.96 135.00 131.74 3jua n PRO 66 Ca -0.04 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 3jua n PRO 66 Cb 0.66 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3jua n PRO 66 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3jua s GLN 67 N -1.03 3.67 0.25 -0.52 -0.21 -1.26 -5.09 119.66 115.47 3jua s GLN 67 Ca 0.61 0.11 -0.22 0.00 0.02 0.00 0.00 55.36 55.88 3jua s GLN 67 Cb -0.50 -3.17 0.03 0.00 1.00 0.00 0.00 33.01 30.38 3jua s GLN 67 CO 0.54 0.71 0.75 -0.08 -2.12 0.00 0.00 175.29 175.08 3jua s THR 68 N -1.13 0.00 0.02 -0.19 -1.32 -1.26 -5.13 115.64 106.63 3jua s THR 68 Ca 0.22 -0.85 -0.30 0.00 -1.21 0.00 0.00 61.69 59.55 3jua s THR 68 Cb -0.14 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 3jua s THR 68 CO 0.11 0.00 1.10 0.68 -2.21 0.00 0.00 174.62 174.29 3jua s VAL 69 N -3.80 4.45 0.31 5.08 -7.23 -1.26 -4.95 120.40 112.99 3jua s VAL 69 Ca 0.10 1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 61.74 3jua s VAL 69 Cb -0.05 -4.13 -0.13 0.00 0.56 0.00 0.00 36.38 32.63 3jua s VAL 69 CO 0.04 0.12 1.22 -0.81 -0.31 0.00 0.00 175.10 175.36 3jua n PRO 70 N 4.09 1.86 0.00 4.82 -0.04 -1.26 -4.87 135.00 139.60 3jua n PRO 70 Ca 0.08 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3jua n PRO 70 Cb 0.48 -2.18 0.03 0.00 -0.04 0.00 0.00 33.50 31.79 3jua n PRO 70 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3jua n MET 71 N 0.86 0.30 -0.32 0.54 2.81 -1.26 -2.02 117.12 118.04 3jua n MET 71 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3jua n MET 71 Cb 0.34 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 3jua n MET 71 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3jua n ARG 72 N -0.55 0.07 0.00 0.03 1.85 -1.26 -4.39 116.66 112.41 3jua n ARG 72 Ca 0.01 -0.88 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 3jua n ARG 72 Cb 0.00 -0.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.88 3jua n ARG 72 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3jua n LEU 73 N -0.04 1.27 0.00 2.89 0.00 -0.86 -5.06 117.00 115.20 3jua n LEU 73 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 56.01 54.52 3jua n LEU 73 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.01 3jua n LEU 73 CO 0.00 0.32 -0.13 -2.11 0.00 0.00 0.00 177.39 175.47 3jua n ARG 74 N -0.29 1.09 -2.01 1.96 1.85 -1.25 -4.99 116.66 113.03 3jua n ARG 74 Ca 0.00 -2.59 -0.41 0.00 -1.00 0.00 0.00 57.85 53.85 3jua n ARG 74 Cb 0.28 0.62 -0.02 0.00 -1.05 0.00 0.00 32.46 32.30 3jua n ARG 74 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3jua n LYS 75 N -0.99 2.64 -4.28 2.89 5.02 -1.26 -4.91 118.16 117.27 3jua n LYS 75 Ca -0.13 -2.74 -0.19 0.00 -2.02 0.00 0.00 58.31 53.24 3jua n LYS 75 Cb 0.45 -3.37 -0.11 0.00 -0.02 0.00 0.00 35.03 31.98 3jua n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jua s LEU 76 N 3.94 2.43 0.20 -0.35 1.43 -1.26 -5.12 118.68 119.96 3jua s LEU 76 Ca 0.54 -0.85 -0.32 0.00 -1.03 0.00 0.00 54.13 52.46 3jua s LEU 76 Cb 0.08 -0.65 -0.13 0.00 0.03 0.00 0.00 46.19 45.53 3jua s LEU 76 CO 0.03 -0.11 1.67 -2.65 0.23 0.00 0.00 176.35 175.51 3jua n PRO 77 N 0.35 2.59 -0.24 1.29 -0.02 -1.26 -4.86 135.00 132.85 3jua n PRO 77 Ca -0.14 0.93 0.32 0.00 -2.02 0.00 0.00 63.50 62.60 3jua n PRO 77 Cb 0.57 -2.75 0.73 0.00 -0.02 0.00 0.00 33.50 32.03 3jua n PRO 77 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3jua h ASP 78 N 6.31 0.00 -0.40 2.55 3.45 -1.99 0.77 116.42 127.11 3jua h ASP 78 Ca -0.44 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.14 3jua h ASP 78 Cb 1.22 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 3jua h ASP 78 CO 0.92 0.00 0.71 0.28 -1.57 0.00 0.00 179.24 179.58 3jua h SER 79 N 0.00 0.00 0.69 6.45 0.02 -1.99 -0.69 113.55 118.02 3jua h SER 79 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3jua h SER 79 Cb 2.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.61 3jua h SER 79 CO -0.01 0.00 0.00 0.33 -1.14 0.00 0.00 176.83 176.01 3jua n PHE 80 N -3.18 0.00 -1.79 3.45 -0.00 0.27 -2.45 117.46 113.77 3jua n PHE 80 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.55 3jua n PHE 80 Cb 0.86 -0.41 0.03 0.00 -0.00 0.00 0.00 39.48 39.96 3jua n PHE 80 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3jua n PHE 81 N -1.41 0.00 0.00 -5.13 3.72 -0.27 -5.09 117.46 109.27 3jua n PHE 81 Ca 0.08 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3jua n PHE 81 Cb 0.25 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3jua n PHE 81 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07