#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a20 s GLU 84 N 0.00 0.18 -0.40 -1.09 2.56 -1.26 -5.03 118.70 113.66 2a20 s GLU 84 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.97 54.86 2a20 s GLU 84 Cb 0.00 -1.26 0.27 0.00 2.00 0.00 0.00 34.13 35.14 2a20 s GLU 84 CO 0.00 -0.82 1.12 0.94 -0.56 0.00 0.00 175.26 175.94 2a20 n GLN 85 N 5.29 0.45 -0.02 4.30 7.27 -1.26 -4.96 117.38 128.44 2a20 n GLN 85 Ca -0.05 -1.19 -0.02 0.00 0.07 0.00 0.00 57.00 55.81 2a20 n GLN 85 Cb 0.47 -0.75 -0.05 0.00 2.41 0.00 0.00 30.24 32.32 2a20 n GLN 85 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2a20 n LYS 86 N 1.35 2.40 -1.47 3.69 2.85 -1.26 -4.82 118.16 120.89 2a20 n LYS 86 Ca 0.04 -0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.25 2a20 n LYS 86 Cb 0.68 -1.16 -0.01 0.00 -0.65 0.00 0.00 35.03 33.89 2a20 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2a20 n GLY 87 N 2.51 0.92 3.20 2.58 0.00 -1.26 -5.11 105.19 108.03 2a20 n GLY 87 Ca -0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2a20 n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a20 s ASP 88 N -1.45 2.68 0.87 1.61 -1.08 -1.26 -5.13 116.67 112.90 2a20 s ASP 88 Ca 0.12 -0.45 -0.11 0.00 -0.52 0.00 0.00 52.55 51.58 2a20 s ASP 88 Cb 0.18 -0.86 0.11 0.00 -1.46 0.00 0.00 42.92 40.89 2a20 s ASP 88 CO -0.06 0.18 1.09 0.00 0.52 0.00 0.00 175.17 176.90 2a20 s ALA 89 N 0.05 1.72 -0.08 3.66 0.00 -1.26 -4.96 121.76 120.89 2a20 s ALA 89 Ca -0.07 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 2a20 s ALA 89 Cb -0.14 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2a20 s ALA 89 CO 0.04 -2.20 0.84 -1.25 0.00 0.00 0.00 175.76 173.20 2a20 s PRO 90 N -4.97 4.43 0.04 0.00 0.05 -1.26 -5.02 135.00 128.27 2a20 s PRO 90 Ca 0.63 1.12 0.04 0.00 0.05 0.00 0.00 61.00 62.83 2a20 s PRO 90 Cb -0.17 -3.50 -0.02 0.00 0.05 0.00 0.00 34.50 30.86 2a20 s PRO 90 CO 0.56 -0.12 -0.11 0.95 0.05 0.00 0.00 177.00 178.34 2a20 s THR 91 N 1.36 0.82 0.10 1.26 -4.23 -1.26 -2.21 115.64 111.48 2a20 s THR 91 Ca 0.43 -1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 59.61 2a20 s THR 91 Cb -0.18 -0.80 -0.07 0.00 1.34 0.00 0.00 72.50 72.79 2a20 s THR 91 CO 0.19 -0.19 1.33 0.00 -0.54 0.00 0.00 174.62 175.41 2a20 n GLY 93 N 3.35 -0.75 0.32 0.00 0.00 0.34 -1.33 105.19 107.11 2a20 n GLY 93 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2a20 n GLY 93 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a20 n ILE 94 N -1.02 0.00 0.96 -0.61 -0.00 -1.26 -4.79 119.36 112.65 2a20 n ILE 94 Ca 0.17 0.23 0.12 0.00 -0.00 0.00 0.00 62.75 63.27 2a20 n ILE 94 Cb 0.09 -1.18 0.33 0.00 -0.00 0.00 0.00 39.64 38.88 2a20 n ILE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2a20 n HIS 96 N -1.56 -1.00 -0.02 0.00 8.25 -0.44 -4.76 115.22 115.68 2a20 n HIS 96 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.48 2a20 n HIS 96 Cb 0.35 -2.36 -0.01 0.00 1.12 0.00 0.00 29.99 29.09 2a20 n HIS 96 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2a20 n LYS 97 N -2.22 0.21 -1.81 -0.41 3.00 -1.26 -4.74 118.16 110.94 2a20 n LYS 97 Ca -0.11 0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 57.86 2a20 n LYS 97 Cb 0.47 -0.81 -0.03 0.00 0.00 0.00 0.00 35.03 34.66 2a20 n LYS 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2a20 s THR 98 N -2.04 3.26 -0.23 3.15 2.01 -1.26 -4.82 115.64 115.70 2a20 s THR 98 Ca -0.12 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2a20 s THR 98 Cb 0.02 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2a20 s THR 98 CO 0.17 -0.07 0.39 -0.54 -0.69 0.00 0.00 174.62 173.88 2a20 s LYS 99 N 4.78 4.12 1.21 4.92 1.02 -1.26 -2.21 119.74 132.33 2a20 s LYS 99 Ca 0.85 0.15 -0.17 0.00 0.02 0.00 0.00 55.97 56.81 2a20 s LYS 99 Cb -0.36 -3.58 0.24 0.00 -0.52 0.00 0.00 37.83 33.62 2a20 s LYS 99 CO 0.36 -0.13 0.56 1.19 -0.92 0.00 0.00 175.35 176.41 2a20 n PHE 100 N 4.79 -2.11 -4.51 3.18 3.72 -0.94 -4.94 117.46 116.65 2a20 n PHE 100 Ca -0.08 -0.21 -0.24 0.00 -0.05 0.00 0.00 57.45 56.87 2a20 n PHE 100 Cb 0.51 -1.52 -0.11 0.00 -0.94 0.00 0.00 39.48 37.43 2a20 n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a20 s ALA 101 N -2.23 2.74 0.00 4.37 0.00 -1.26 -4.63 121.76 120.76 2a20 s ALA 101 Ca 0.59 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2a20 s ALA 101 Cb -0.15 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2a20 s ALA 101 CO 0.59 -0.01 0.00 -0.25 0.00 0.00 0.00 175.76 176.09 2a20 n ASP 102 N -0.73 0.00 0.00 0.00 8.00 -1.26 -3.12 116.55 119.44 2a20 n ASP 102 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2a20 n ASP 102 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a20 n GLY 103 N 0.00 0.02 2.95 0.44 0.00 -1.26 -5.12 105.19 102.21 2a20 n GLY 103 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2a20 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a20 n GLY 105 N 3.91 0.85 3.62 0.00 0.00 -1.26 -4.68 105.19 107.62 2a20 n GLY 105 Ca -0.23 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 2a20 n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a20 s HIS 106 N 0.00 3.26 -0.13 1.61 3.76 -0.80 -4.96 115.29 118.03 2a20 s HIS 106 Ca 0.00 0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 55.32 2a20 s HIS 106 Cb 0.00 -2.55 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 2a20 s HIS 106 CO 0.00 -0.19 -0.07 -0.80 -0.85 0.00 0.00 174.74 172.84 2a20 s ASN 107 N 1.54 4.59 -0.02 1.40 0.02 -1.26 0.88 114.94 122.10 2a20 s ASN 107 Ca 0.15 -0.15 -0.34 0.00 -1.02 0.00 0.00 52.86 51.51 2a20 s ASN 107 Cb -0.16 -1.60 -0.12 0.00 0.02 0.00 0.00 41.25 39.39 2a20 s ASN 107 CO 0.09 0.21 1.82 0.00 0.02 0.00 0.00 177.10 179.25 2a20 h SER 109 N 8.61 0.00 0.00 0.00 0.87 0.12 0.32 113.55 123.47 2a20 h SER 109 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2a20 h SER 109 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2a20 h SER 109 CO 0.94 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 176.02 2a20 n TYR 110 N -2.85 0.00 0.30 2.24 4.01 -1.26 -4.68 117.16 114.92 2a20 n TYR 110 Ca -0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.87 2a20 n TYR 110 Cb 0.15 0.00 0.92 0.00 -0.31 0.00 0.00 39.34 40.10 2a20 n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a20 n GLN 112 N -3.85 -0.27 -2.15 0.00 1.13 0.11 -4.94 117.38 107.41 2a20 n GLN 112 Ca -0.03 0.07 -0.38 0.00 -1.94 0.00 0.00 57.00 54.72 2a20 n GLN 112 Cb 0.09 -3.37 -0.00 0.00 0.11 0.00 0.00 30.24 27.07 2a20 n GLN 112 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2a20 s THR 113 N -2.46 2.87 -0.36 5.09 2.01 -1.26 -4.42 115.64 117.11 2a20 s THR 113 Ca 0.00 0.68 -0.24 0.00 0.31 0.00 0.00 61.69 62.44 2a20 s THR 113 Cb 0.00 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2a20 s THR 113 CO 0.00 0.02 0.83 -0.54 -0.69 0.00 0.00 174.62 174.24 2a20 s LYS 114 N -2.61 3.80 0.22 4.92 1.02 -1.26 -0.62 119.74 125.20 2a20 s LYS 114 Ca 0.63 0.43 0.05 0.00 0.02 0.00 0.00 55.97 57.11 2a20 s LYS 114 Cb -0.32 -3.80 -0.05 0.00 -0.52 0.00 0.00 37.83 33.14 2a20 s LYS 114 CO 0.39 -0.87 -0.07 -0.59 -0.92 0.00 0.00 175.35 173.30 2a20 s PHE 115 N 3.22 1.62 0.68 3.18 -0.12 0.25 0.13 117.98 126.94 2a20 s PHE 115 Ca 0.34 -0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 2a20 s PHE 115 Cb -0.13 -0.88 0.07 0.00 -0.63 0.00 0.00 43.02 41.46 2a20 s PHE 115 CO 0.17 0.15 0.97 0.00 -0.05 0.00 0.00 175.22 176.46 2a20 h ALA 117 N -0.48 1.01 0.00 0.00 0.00 -1.93 0.04 119.26 117.89 2a20 h ALA 117 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2a20 h ALA 117 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2a20 h ALA 117 CO 0.54 -0.01 -1.31 0.54 0.00 0.00 0.00 179.25 179.01 2a20 n ARG 118 N -2.51 0.62 -0.88 0.00 5.12 -1.26 -4.01 116.66 113.74 2a20 n ARG 118 Ca -0.02 0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 55.91 2a20 n ARG 118 Cb 0.06 -1.75 0.26 0.00 -1.16 0.00 0.00 32.46 29.87 2a20 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a20 s GLY 120 N -1.57 -0.05 0.10 0.00 0.00 -1.07 -2.99 107.32 101.73 2a20 s GLY 120 Ca 0.51 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 45.19 2a20 s GLY 120 CO 0.09 2.64 -0.08 -0.32 0.00 0.00 0.00 173.10 175.43 2a20 s GLY 121 N -3.40 0.79 0.04 0.20 0.00 -0.42 -4.77 107.32 99.75 2a20 s GLY 121 Ca 0.22 -1.25 -0.22 0.00 0.00 0.00 0.00 44.72 43.46 2a20 s GLY 121 CO 0.02 -1.35 0.66 1.09 0.00 0.00 0.00 173.10 173.53 2a20 s ARG 122 N -3.30 4.38 -0.45 2.90 1.70 -1.26 -2.27 118.95 120.65 2a20 s ARG 122 Ca 0.08 0.87 0.03 0.00 -0.47 0.00 0.00 55.73 56.24 2a20 s ARG 122 Cb 0.01 -3.33 0.16 0.00 -0.57 0.00 0.00 34.95 31.22 2a20 s ARG 122 CO -0.02 0.40 0.31 0.08 -1.08 0.00 0.00 175.30 174.99 2a20 s VAL 123 N -0.37 0.92 -0.31 4.99 1.01 -0.94 -4.97 120.40 120.73 2a20 s VAL 123 Ca 0.33 -2.67 -0.18 0.00 0.00 0.00 0.00 61.98 59.46 2a20 s VAL 123 Cb -0.20 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2a20 s VAL 123 CO 0.20 -1.07 0.51 -0.94 0.00 0.00 0.00 175.10 173.80 2a20 s SER 124 N 0.12 6.36 0.46 3.32 1.04 -1.26 -3.03 113.70 120.71 2a20 s SER 124 Ca 0.25 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2a20 s SER 124 Cb -0.10 -2.27 -0.00 0.00 0.10 0.00 0.00 66.02 63.75 2a20 s SER 124 CO -0.10 -0.39 0.68 -0.76 0.98 0.00 0.00 173.24 173.65 2a20 s LEU 125 N 2.35 3.61 0.00 2.42 2.01 -1.17 -4.98 118.68 122.92 2a20 s LEU 125 Ca 0.20 0.26 0.26 0.00 0.01 0.00 0.00 54.13 54.85 2a20 s LEU 125 Cb -0.15 -3.14 1.53 0.00 0.01 0.00 0.00 46.19 44.44 2a20 s LEU 125 CO 0.11 -0.74 1.92 0.54 1.01 0.00 0.00 176.35 179.19 2a20 n ARG 126 N -2.10 0.88 -0.86 1.70 5.12 -1.26 -3.29 116.66 116.84 2a20 n ARG 126 Ca 0.02 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.90 2a20 n ARG 126 Cb 0.58 -1.46 0.27 0.00 -1.16 0.00 0.00 32.46 30.69 2a20 n ARG 126 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2a20 n SER 127 N -0.96 4.46 -3.48 0.55 3.41 -1.26 -4.92 113.62 111.42 2a20 n SER 127 Ca 0.19 -3.00 -0.23 0.00 -0.26 0.00 0.00 58.87 55.57 2a20 n SER 127 Cb 0.09 -0.71 0.06 0.00 -0.26 0.00 0.00 64.21 63.39 2a20 n SER 127 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2a20 n ASN 128 N -0.02 -5.39 -3.36 4.04 2.85 -1.21 -5.01 115.26 107.16 2a20 n ASN 128 Ca 0.34 -0.85 -0.11 0.00 -0.11 0.00 0.00 54.58 53.85 2a20 n ASN 128 Cb 1.22 -4.34 -0.08 0.00 1.24 0.00 0.00 39.78 37.82 2a20 n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2a20 s LYS 129 N -5.24 0.34 -0.26 1.20 1.02 -1.26 -5.06 119.74 110.48 2a20 s LYS 129 Ca 0.40 0.31 -0.16 0.00 0.02 0.00 0.00 55.97 56.54 2a20 s LYS 129 Cb -0.10 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 2a20 s LYS 129 CO 0.80 -0.79 0.42 0.08 -0.92 0.00 0.00 175.35 174.94 2a20 s VAL 130 N 2.49 5.14 -0.03 3.17 1.01 -1.26 -3.05 120.40 127.87 2a20 s VAL 130 Ca 0.11 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2a20 s VAL 130 Cb -0.15 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2a20 s VAL 130 CO -0.21 0.14 0.09 0.00 0.00 0.00 0.00 175.10 175.12 2a20 s MET 131 N 2.11 0.10 -0.06 2.72 0.23 -1.17 -5.04 119.30 118.20 2a20 s MET 131 Ca 0.17 0.12 -0.04 0.00 -1.03 0.00 0.00 55.69 54.92 2a20 s MET 131 Cb -0.16 0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.15 2a20 s MET 131 CO 0.10 -0.01 0.13 -1.58 -2.03 0.00 0.00 175.02 171.62 2a20 s TRP 132 N 0.05 3.49 -0.08 3.16 0.52 -1.26 -2.21 118.94 122.61 2a20 s TRP 132 Ca -0.00 0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.53 2a20 s TRP 132 Cb -0.01 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.47 2a20 s TRP 132 CO 0.00 0.65 -0.12 0.08 0.02 0.00 0.00 176.95 177.58 2a20 s VAL 133 N -1.13 1.19 0.71 4.03 1.01 -0.96 0.16 120.40 125.42 2a20 s VAL 133 Ca 0.20 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 2a20 s VAL 133 Cb -0.12 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2a20 s VAL 133 CO 0.10 0.37 1.09 0.00 0.00 0.00 0.00 175.10 176.66 2a20 h ASN 135 N -0.14 0.00 0.84 0.00 2.35 -1.84 0.54 115.58 117.34 2a20 h ASN 135 Ca -0.48 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.03 2a20 h ASN 135 Cb 1.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.68 2a20 h ASN 135 CO 0.48 0.00 -1.14 -0.07 -1.65 0.00 0.00 177.43 175.06 2a20 h LEU 136 N 0.00 0.13 0.01 1.61 3.38 -1.88 -2.96 115.31 115.60 2a20 h LEU 136 Ca 0.00 -0.14 -0.29 0.00 0.09 0.00 0.00 57.88 57.53 2a20 h LEU 136 Cb 0.42 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2a20 h LEU 136 CO 0.00 1.11 -1.70 0.00 0.09 0.00 0.00 178.44 177.95 2a20 h ARG 138 N 0.01 0.54 0.07 0.00 2.43 -0.19 1.29 114.38 118.54 2a20 h ARG 138 Ca -0.28 -0.12 -0.28 0.00 -0.81 0.00 0.00 59.98 58.49 2a20 h ARG 138 Cb 2.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.46 2a20 h ARG 138 CO 0.08 0.58 -1.51 -0.22 -1.51 0.00 0.00 179.97 177.39 2a20 h LYS 139 N 0.52 0.14 0.14 0.20 1.63 -1.65 -2.46 116.57 115.10 2a20 h LYS 139 Ca 0.11 -0.25 -0.29 0.00 -0.85 0.00 0.00 60.65 59.37 2a20 h LYS 139 Cb 0.35 0.09 0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2a20 h LYS 139 CO 0.01 1.12 -1.26 0.37 -3.45 0.00 0.00 179.45 176.24 2a20 h GLN 140 N -0.49 0.42 -0.31 1.90 4.15 -1.51 -3.32 115.11 115.95 2a20 h GLN 140 Ca -0.36 -0.64 -0.11 0.00 0.77 0.00 0.00 58.65 58.31 2a20 h GLN 140 Cb 1.64 0.23 -0.07 0.00 0.21 0.00 0.00 27.48 29.49 2a20 h GLN 140 CO -0.05 1.29 -0.03 1.04 -1.93 0.00 0.00 178.83 179.16 2a20 n GLN 141 N -3.65 2.24 -0.25 1.69 1.13 0.44 -5.04 117.38 113.94 2a20 n GLN 141 Ca -0.11 -3.02 0.00 0.00 -1.94 0.00 0.00 57.00 51.93 2a20 n GLN 141 Cb 1.01 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 29.54 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71