#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 h SER 100 N 0.00 -0.33 0.00 1.61 4.64 -2.09 -3.46 113.55 113.93 2kj4 h SER 100 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2kj4 h SER 100 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2kj4 h SER 100 CO 0.00 0.14 0.00 0.52 -0.87 0.00 0.00 176.83 176.62 2kj4 n VAL 101 N -5.03 0.00 -3.92 0.95 0.31 -1.26 -4.38 118.33 105.01 2kj4 n VAL 101 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.99 2kj4 n VAL 101 Cb 0.18 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.98 2kj4 n VAL 101 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kj4 s GLU 102 N 0.00 2.23 0.00 5.55 2.12 -1.26 -4.73 118.70 122.61 2kj4 s GLU 102 Ca 0.00 -3.01 0.00 0.00 0.36 0.00 0.00 54.97 52.32 2kj4 s GLU 102 Cb 0.00 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2kj4 s GLU 102 CO 0.00 -1.21 0.52 1.17 -0.54 0.00 0.00 175.26 175.20 2kj4 n LYS 103 N 2.48 0.62 -0.00 4.30 3.00 -1.26 -4.80 118.16 122.50 2kj4 n LYS 103 Ca 0.13 -0.64 0.04 0.00 -0.00 0.00 0.00 58.31 57.84 2kj4 n LYS 103 Cb 0.34 -0.68 -0.06 0.00 0.00 0.00 0.00 35.03 34.63 2kj4 n LYS 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kj4 n LEU 104 N -0.12 0.38 -4.85 3.14 4.77 -1.26 -4.31 117.00 114.75 2kj4 n LEU 104 Ca 0.00 -0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 2kj4 n LEU 104 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2kj4 n LEU 104 CO 0.00 0.09 0.69 0.42 -1.33 0.00 0.00 177.39 177.27 2kj4 s THR 105 N -2.00 4.53 0.13 -5.08 -4.23 -1.26 -4.81 115.64 102.92 2kj4 s THR 105 Ca 0.03 1.12 -0.27 0.00 -1.18 0.00 0.00 61.69 61.38 2kj4 s THR 105 Cb 0.07 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 2kj4 s THR 105 CO 0.39 -0.78 1.61 0.00 -0.54 0.00 0.00 174.62 175.29 2kj4 h ALA 106 N 0.60 -0.48 0.00 3.99 0.00 -1.98 0.35 119.26 121.73 2kj4 h ALA 106 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kj4 h ALA 106 Cb 1.19 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2kj4 h ALA 106 CO 0.61 -0.85 0.00 -0.44 0.00 0.00 0.00 179.25 178.58 2kj4 h ASP 107 N -0.47 0.00 0.37 0.00 3.32 -1.98 -0.23 116.42 117.43 2kj4 h ASP 107 Ca 0.07 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.80 2kj4 h ASP 107 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2kj4 h ASP 107 CO -0.31 0.00 -1.65 0.00 -1.72 0.00 0.00 179.24 175.57 2kj4 h ALA 108 N 2.00 0.33 -0.09 3.45 0.00 -1.61 -2.65 119.26 120.69 2kj4 h ALA 108 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 2kj4 h ALA 108 Cb 0.41 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kj4 h ALA 108 CO 0.00 1.19 0.02 1.49 0.00 0.00 0.00 179.25 181.95 2kj4 h GLU 109 N 0.07 0.14 -0.61 0.00 4.81 0.22 0.40 114.58 119.60 2kj4 h GLU 109 Ca -0.29 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.01 2kj4 h GLU 109 Cb 2.03 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 31.32 2kj4 h GLU 109 CO 0.15 0.30 0.22 1.25 -0.73 0.00 0.00 179.01 180.20 2kj4 h LEU 110 N -0.06 0.21 -0.19 1.64 7.12 -1.18 0.25 115.31 123.10 2kj4 h LEU 110 Ca 0.03 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.09 2kj4 h LEU 110 Cb 0.23 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2kj4 h LEU 110 CO -0.00 0.13 0.02 -0.61 -0.13 0.00 0.00 178.44 177.85 2kj4 h GLN 111 N 0.40 0.32 -0.33 1.25 4.15 -1.19 -1.23 115.11 118.48 2kj4 h GLN 111 Ca 0.31 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2kj4 h GLN 111 Cb 0.39 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2kj4 h GLN 111 CO -0.32 0.49 0.21 -0.09 -1.93 0.00 0.00 178.83 177.20 2kj4 h ARG 112 N 0.11 0.44 -0.78 1.69 2.43 -0.33 0.57 114.38 118.50 2kj4 h ARG 112 Ca 0.06 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kj4 h ARG 112 Cb 0.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2kj4 h ARG 112 CO 0.01 0.31 0.47 -0.07 -1.51 0.00 0.00 179.97 179.18 2kj4 h LEU 113 N 0.43 0.93 -0.17 3.80 3.38 -0.48 0.18 115.31 123.39 2kj4 h LEU 113 Ca 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2kj4 h LEU 113 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2kj4 h LEU 113 CO -0.02 0.72 0.04 0.50 0.09 0.00 0.00 178.44 179.77 2kj4 h LYS 114 N 1.08 0.26 -0.66 1.13 3.64 -0.69 -2.32 116.57 119.00 2kj4 h LYS 114 Ca 0.28 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 2kj4 h LYS 114 Cb -0.05 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2kj4 h LYS 114 CO -0.05 0.40 0.44 -0.91 -2.27 0.00 0.00 179.45 177.05 2kj4 h ASN 115 N 0.08 0.67 0.61 4.20 2.35 -0.27 0.17 115.58 123.39 2kj4 h ASN 115 Ca 0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2kj4 h ASN 115 Cb 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2kj4 h ASN 115 CO -0.00 0.46 -0.46 -0.08 -1.65 0.00 0.00 177.43 175.70 2kj4 h GLU 116 N 0.78 -1.00 0.00 0.81 4.81 -0.39 0.11 114.58 119.70 2kj4 h GLU 116 Ca 0.27 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2kj4 h GLU 116 Cb 0.09 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2kj4 h GLU 116 CO -0.08 -0.67 -0.00 0.00 -0.73 0.00 0.00 179.01 177.54 2kj4 h ARG 117 N -1.04 0.00 0.13 1.92 3.08 -0.83 0.76 114.38 118.40 2kj4 h ARG 117 Ca -0.08 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.69 2kj4 h ARG 117 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2kj4 h ARG 117 CO 0.02 0.00 -1.29 0.45 -1.07 0.00 0.00 179.97 178.09 2kj4 h HIS 118 N 0.00 0.50 -0.54 3.04 3.86 0.24 0.49 115.15 122.75 2kj4 h HIS 118 Ca -0.00 -0.37 -0.04 0.00 -1.16 0.00 0.00 60.37 58.80 2kj4 h HIS 118 Cb 0.02 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2kj4 h HIS 118 CO 0.00 1.30 0.17 0.93 0.86 0.00 0.00 177.93 181.19 2kj4 h GLU 119 N 0.08 0.83 -0.89 2.45 3.07 0.41 -2.15 114.58 118.37 2kj4 h GLU 119 Ca -0.15 -0.17 0.08 0.00 -0.50 0.00 0.00 59.36 58.61 2kj4 h GLU 119 Cb 1.98 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 29.71 2kj4 h GLU 119 CO 0.20 0.76 0.58 0.93 -1.40 0.00 0.00 179.01 180.07 2kj4 h GLU 120 N 0.74 0.93 -0.56 2.33 4.39 -0.81 0.75 114.58 122.35 2kj4 h GLU 120 Ca 0.17 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2kj4 h GLU 120 Cb 0.27 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2kj4 h GLU 120 CO -0.01 0.61 0.12 0.00 -1.16 0.00 0.00 179.01 178.57 2kj4 h ALA 121 N 1.53 0.74 -0.31 3.43 0.00 -0.57 0.42 119.26 124.50 2kj4 h ALA 121 Ca 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2kj4 h ALA 121 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kj4 h ALA 121 CO -0.16 0.46 0.12 0.93 0.00 0.00 0.00 179.25 180.61 2kj4 h GLU 122 N 0.81 0.47 -0.65 0.00 4.39 -0.67 0.86 114.58 119.79 2kj4 h GLU 122 Ca 0.17 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2kj4 h GLU 122 Cb 0.37 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2kj4 h GLU 122 CO 0.01 0.49 0.34 -0.07 -1.16 0.00 0.00 179.01 178.61 2kj4 h LEU 123 N 0.36 0.81 -0.25 1.33 3.38 -0.57 0.64 115.31 121.02 2kj4 h LEU 123 Ca 0.10 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2kj4 h LEU 123 Cb 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kj4 h LEU 123 CO -0.01 0.67 -0.31 -0.08 0.09 0.00 0.00 178.44 178.80 2kj4 h GLU 124 N 0.91 0.65 -0.70 1.13 4.81 0.12 -2.50 114.58 119.01 2kj4 h GLU 124 Ca 0.23 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kj4 h GLU 124 Cb 0.05 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2kj4 h GLU 124 CO -0.03 0.98 0.46 -0.09 -0.73 0.00 0.00 179.01 179.60 2kj4 h ARG 125 N 0.36 0.92 0.00 1.92 2.43 -0.16 0.69 114.38 120.54 2kj4 h ARG 125 Ca 0.03 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2kj4 h ARG 125 Cb 0.89 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2kj4 h ARG 125 CO 0.07 0.61 -0.23 1.25 -1.51 0.00 0.00 179.97 180.16 2kj4 h LEU 126 N 0.95 0.00 0.00 3.80 5.85 -0.90 -2.04 115.31 122.97 2kj4 h LEU 126 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2kj4 h LEU 126 Cb -0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2kj4 h LEU 126 CO -0.06 0.23 -0.34 0.50 -0.34 0.00 0.00 178.44 178.44 2kj4 h LYS 127 N 0.00 0.00 -1.27 1.25 3.64 -0.71 -3.30 116.57 116.18 2kj4 h LYS 127 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 2kj4 h LYS 127 Cb 0.42 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 2kj4 h LYS 127 CO 0.03 0.00 0.23 0.43 -2.27 0.00 0.00 179.45 177.87 2kj4 n SER 128 N -2.95 4.34 -4.78 4.20 7.64 0.10 -4.90 113.62 117.28 2kj4 n SER 128 Ca 0.03 -2.63 -0.37 0.00 1.01 0.00 0.00 58.87 56.90 2kj4 n SER 128 Cb 0.54 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 2kj4 n SER 128 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kj4 s GLU 129 N -1.10 4.06 0.00 1.43 -1.05 -1.24 -5.03 118.70 115.77 2kj4 s GLU 129 Ca 0.19 1.65 0.00 0.00 -0.15 0.00 0.00 54.97 56.66 2kj4 s GLU 129 Cb 0.15 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 2kj4 s GLU 129 CO 0.02 -0.26 0.45 0.98 0.95 0.00 0.00 175.26 177.40