#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a20 n GLU 84 N 0.00 3.29 0.05 -1.09 -0.58 -1.26 -4.74 120.64 116.32 2a20 n GLU 84 Ca 0.00 -3.52 -0.14 0.00 -0.42 0.00 0.00 57.16 53.08 2a20 n GLU 84 Cb 0.00 -3.24 -0.04 0.00 -0.57 0.00 0.00 31.44 27.59 2a20 n GLU 84 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2a20 h GLN 85 N 7.16 0.47 -6.27 3.49 4.15 -2.11 -3.45 115.11 118.55 2a20 h GLN 85 Ca 0.39 -0.47 -0.64 0.00 0.77 0.00 0.00 58.65 58.71 2a20 h GLN 85 Cb 0.84 0.12 -0.10 0.00 0.21 0.00 0.00 27.48 28.55 2a20 h GLN 85 CO 1.40 1.11 -0.63 0.15 -1.93 0.00 0.00 178.83 178.93 2a20 s LYS 86 N -3.38 2.70 0.00 1.69 1.02 -1.26 -5.05 119.74 115.45 2a20 s LYS 86 Ca -0.07 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2a20 s LYS 86 Cb 0.09 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 2a20 s LYS 86 CO 0.87 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 176.25 2a20 n GLY 87 N 0.39 3.89 3.61 -3.33 0.00 -1.26 -5.04 105.19 103.45 2a20 n GLY 87 Ca -0.10 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 6.73 0.75 1.61 2.15 -1.26 -5.03 116.67 121.63 2a20 s ASP 88 Ca 0.00 0.65 -0.11 0.00 0.43 0.00 0.00 52.55 53.52 2a20 s ASP 88 Cb 0.00 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 2a20 s ASP 88 CO 0.00 -1.07 1.08 0.00 -0.17 0.00 0.00 175.17 175.01 2a20 s ALA 89 N 4.03 2.41 0.08 3.66 0.00 -1.26 -4.98 121.76 125.69 2a20 s ALA 89 Ca 0.45 -0.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 2a20 s ALA 89 Cb -0.10 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2a20 s ALA 89 CO 0.24 -1.54 0.81 -1.25 0.00 0.00 0.00 175.76 174.03 2a20 s PRO 90 N -5.06 4.56 0.05 0.00 0.05 -1.26 -5.02 135.00 128.32 2a20 s PRO 90 Ca 0.60 1.17 0.04 0.00 0.05 0.00 0.00 61.00 62.85 2a20 s PRO 90 Cb -0.15 -3.35 -0.03 0.00 0.05 0.00 0.00 34.50 31.03 2a20 s PRO 90 CO 0.55 0.32 -0.11 0.95 0.05 0.00 0.00 177.00 178.76 2a20 s THR 91 N -0.25 0.81 0.22 1.26 -4.23 -1.26 -2.38 115.64 109.80 2a20 s THR 91 Ca 0.40 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 2a20 s THR 91 Cb -0.22 -0.82 -0.09 0.00 1.34 0.00 0.00 72.50 72.71 2a20 s THR 91 CO 0.25 -0.30 1.19 0.00 -0.54 0.00 0.00 174.62 175.22 2a20 n GLY 93 N 1.84 -0.03 0.97 0.00 0.00 0.19 -1.93 105.19 106.22 2a20 n GLY 93 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.12 0.02 0.99 -0.61 -0.00 -1.26 -4.83 119.36 113.55 2a20 n ILE 94 Ca 0.04 0.02 0.12 0.00 -0.00 0.00 0.00 62.75 62.93 2a20 n ILE 94 Cb 0.15 -1.03 0.30 0.00 -0.00 0.00 0.00 39.64 39.06 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 -1.51 -1.13 -0.01 0.00 8.25 -0.81 -4.72 115.22 115.28 2a20 n HIS 96 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 2a20 n HIS 96 Cb 0.34 -2.20 -0.02 0.00 1.12 0.00 0.00 29.99 29.23 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 -2.24 0.19 -1.77 -0.41 4.81 -1.26 -4.76 118.16 112.73 2a20 n LYS 97 Ca -0.10 0.08 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 2a20 n LYS 97 Cb 0.46 -0.83 -0.03 0.00 0.02 0.00 0.00 35.03 34.65 2a20 n LYS 97 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2a20 s THR 98 N -2.30 3.20 -0.18 3.15 2.01 -1.26 -4.83 115.64 115.44 2a20 s THR 98 Ca -0.11 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 2a20 s THR 98 Cb 0.02 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2a20 s THR 98 CO 0.16 -0.14 0.39 -0.54 -0.69 0.00 0.00 174.62 173.80 2a20 s LYS 99 N 5.76 4.21 1.16 4.92 1.02 -1.26 -2.04 119.74 133.52 2a20 s LYS 99 Ca 0.91 0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.98 2a20 s LYS 99 Cb -0.31 -3.50 0.28 0.00 -0.52 0.00 0.00 37.83 33.78 2a20 s LYS 99 CO 0.35 0.04 0.98 1.19 -0.92 0.00 0.00 175.35 176.99 2a20 n PHE 100 N 4.18 -1.15 0.00 3.18 3.72 -1.00 -4.94 117.46 121.45 2a20 n PHE 100 Ca -0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2a20 n PHE 100 Cb 0.51 -1.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.34 2a20 n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a20 n ALA 101 N -4.93 -0.16 -2.66 4.37 0.00 -1.26 -4.60 120.51 111.27 2a20 n ALA 101 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2a20 n ALA 101 Cb 0.54 0.25 0.04 0.00 0.00 0.00 0.00 19.45 20.28 2a20 n ALA 101 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a20 s ASP 102 N -2.57 -0.15 0.00 0.00 2.15 -1.26 -4.92 116.67 109.92 2a20 s ASP 102 Ca 0.00 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.80 2a20 s ASP 102 Cb 0.00 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 2a20 s ASP 102 CO 0.00 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 2a20 n GLY 103 N 2.59 -0.18 2.73 2.66 0.00 -1.26 -5.06 105.19 106.68 2a20 n GLY 103 Ca 0.11 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 5.31 -2.12 3.58 0.00 0.00 -1.26 -4.91 105.19 105.79 2a20 n GLY 105 Ca -0.05 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 3.23 -0.12 1.61 3.76 -0.89 -4.96 115.29 117.92 2a20 s HIS 106 Ca 0.00 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.13 2a20 s HIS 106 Cb 0.00 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.03 2a20 s HIS 106 CO 0.00 -0.31 0.00 -0.80 -0.85 0.00 0.00 174.74 172.78 2a20 s ASN 107 N 1.68 5.20 0.06 1.40 0.02 -1.26 0.14 114.94 122.19 2a20 s ASN 107 Ca 0.14 0.06 -0.33 0.00 -1.02 0.00 0.00 52.86 51.71 2a20 s ASN 107 Cb -0.16 -1.66 -0.12 0.00 0.02 0.00 0.00 41.25 39.33 2a20 s ASN 107 CO 0.11 0.28 1.75 0.00 0.02 0.00 0.00 177.10 179.26 2a20 h SER 109 N 7.78 0.00 0.00 0.00 0.87 0.12 0.17 113.55 122.49 2a20 h SER 109 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2a20 h SER 109 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2a20 h SER 109 CO 0.92 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 176.00 2a20 n TYR 110 N -2.69 0.00 0.29 2.24 4.01 -1.26 -4.70 117.16 115.05 2a20 n TYR 110 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 2a20 n TYR 110 Cb 0.11 0.00 0.94 0.00 -0.31 0.00 0.00 39.34 40.08 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 -3.75 -0.34 -2.09 0.00 1.13 0.61 -4.94 117.38 108.01 2a20 n GLN 112 Ca -0.03 0.08 -0.40 0.00 -1.94 0.00 0.00 57.00 54.72 2a20 n GLN 112 Cb 0.11 -3.44 -0.01 0.00 0.11 0.00 0.00 30.24 27.01 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 -2.32 2.69 -0.50 5.09 2.01 -1.26 -4.37 115.64 116.98 2a20 s THR 113 Ca 0.00 0.62 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 2a20 s THR 113 Cb 0.00 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.17 2a20 s THR 113 CO 0.00 0.10 0.96 -0.54 -0.69 0.00 0.00 174.62 174.45 2a20 s LYS 114 N -2.17 3.48 0.29 4.92 1.02 -1.26 -0.29 119.74 125.72 2a20 s LYS 114 Ca 0.56 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.69 2a20 s LYS 114 Cb -0.38 -3.97 -0.06 0.00 -0.52 0.00 0.00 37.83 32.91 2a20 s LYS 114 CO 0.48 -1.35 -0.09 -0.59 -0.92 0.00 0.00 175.35 172.88 2a20 s PHE 115 N 3.96 2.10 0.67 3.18 -0.12 0.37 0.57 117.98 128.71 2a20 s PHE 115 Ca 0.36 -0.59 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 2a20 s PHE 115 Cb -0.10 -1.15 0.05 0.00 -0.63 0.00 0.00 43.02 41.19 2a20 s PHE 115 CO 0.24 0.43 0.97 0.00 -0.05 0.00 0.00 175.22 176.81 2a20 h ALA 117 N -0.47 1.02 0.00 0.00 0.00 -1.93 -0.05 119.26 117.82 2a20 h ALA 117 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2a20 h ALA 117 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2a20 h ALA 117 CO 0.59 -0.02 -1.22 0.54 0.00 0.00 0.00 179.25 179.15 2a20 n ARG 118 N -2.49 0.43 -1.09 0.00 1.74 -1.26 -4.12 116.66 109.88 2a20 n ARG 118 Ca -0.02 -0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.89 2a20 n ARG 118 Cb 0.06 -1.63 0.17 0.00 -1.02 0.00 0.00 32.46 30.04 2a20 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a20 s GLY 120 N -2.10 -0.41 0.17 0.00 0.00 -1.18 -2.91 107.32 100.88 2a20 s GLY 120 Ca 0.51 1.25 0.09 0.00 0.00 0.00 0.00 44.72 46.57 2a20 s GLY 120 CO 0.04 0.31 -0.12 -0.32 0.00 0.00 0.00 173.10 173.01 2a20 s GLY 121 N -2.71 1.73 -0.03 0.20 0.00 0.20 -4.80 107.32 101.91 2a20 s GLY 121 Ca 0.14 -1.47 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 2a20 s GLY 121 CO -0.05 -1.48 0.61 -1.60 0.00 0.00 0.00 173.10 170.57 2a20 s ARG 122 N -2.73 4.35 -0.50 2.90 3.52 -1.26 -1.52 118.95 123.71 2a20 s ARG 122 Ca 0.24 0.73 0.07 0.00 -0.13 0.00 0.00 55.73 56.64 2a20 s ARG 122 Cb -0.09 -3.38 0.24 0.00 -1.56 0.00 0.00 34.95 30.16 2a20 s ARG 122 CO 0.14 0.26 0.60 0.28 -0.81 0.00 0.00 175.30 175.77 2a20 n VAL 123 N 3.12 0.57 -3.33 7.11 0.31 0.45 -4.98 118.33 121.58 2a20 n VAL 123 Ca -0.05 -4.49 -0.39 0.00 -0.01 0.00 0.00 64.34 59.40 2a20 n VAL 123 Cb 0.51 -2.01 -0.08 0.00 -0.91 0.00 0.00 33.84 31.36 2a20 n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2a20 s SER 124 N -1.63 6.41 0.51 4.52 1.04 -1.26 -2.87 113.70 120.42 2a20 s SER 124 Ca 0.36 0.48 0.01 0.00 0.48 0.00 0.00 55.95 57.29 2a20 s SER 124 Cb 0.15 -2.25 0.02 0.00 0.10 0.00 0.00 66.02 64.04 2a20 s SER 124 CO -0.08 -0.17 0.73 -0.76 0.98 0.00 0.00 173.24 173.94 2a20 s LEU 125 N 1.81 3.42 -0.43 2.42 2.01 -0.83 -4.99 118.68 122.08 2a20 s LEU 125 Ca 0.19 0.07 -0.01 0.00 0.01 0.00 0.00 54.13 54.39 2a20 s LEU 125 Cb -0.15 -2.96 0.27 0.00 0.01 0.00 0.00 46.19 43.36 2a20 s LEU 125 CO 0.09 -0.97 2.06 0.54 1.01 0.00 0.00 176.35 179.08 2a20 n ARG 126 N -2.23 2.10 -1.24 1.70 1.74 -1.26 -3.94 116.66 113.52 2a20 n ARG 126 Ca 0.06 -2.12 0.01 0.00 -0.77 0.00 0.00 57.85 55.03 2a20 n ARG 126 Cb 0.59 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2a20 n ARG 126 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2a20 n SER 127 N 0.01 0.48 -2.68 0.55 7.64 -1.26 -5.02 113.62 113.33 2a20 n SER 127 Ca 0.41 -1.96 -0.07 0.00 1.01 0.00 0.00 58.87 58.25 2a20 n SER 127 Cb 0.59 -0.17 0.03 0.00 -1.01 0.00 0.00 64.21 63.66 2a20 n SER 127 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2a20 n ASN 128 N 0.33 -5.51 -3.30 6.43 4.13 -1.25 -5.04 115.26 111.04 2a20 n ASN 128 Ca -0.01 -0.35 -0.09 0.00 1.68 0.00 0.00 54.58 55.80 2a20 n ASN 128 Cb 0.99 -3.87 -0.05 0.00 -1.54 0.00 0.00 39.78 35.31 2a20 n ASN 128 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2a20 s LYS 129 N -3.66 0.61 -0.32 3.52 1.02 -1.26 -5.04 119.74 114.62 2a20 s LYS 129 Ca 0.22 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.71 2a20 s LYS 129 Cb -0.03 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 2a20 s LYS 129 CO 0.52 -1.14 0.27 0.08 -0.92 0.00 0.00 175.35 174.16 2a20 s VAL 130 N 1.92 5.25 0.01 3.17 1.01 -1.26 -1.96 120.40 128.54 2a20 s VAL 130 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2a20 s VAL 130 Cb -0.11 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2a20 s VAL 130 CO -0.13 0.05 -0.04 -0.04 0.00 0.00 0.00 175.10 174.94 2a20 s MET 131 N 1.84 0.29 -0.09 2.72 -1.94 -1.14 -5.00 119.30 115.99 2a20 s MET 131 Ca 0.09 -0.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.81 2a20 s MET 131 Cb -0.17 -0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.47 2a20 s MET 131 CO 0.11 0.04 -0.14 -1.58 -0.01 0.00 0.00 175.02 173.45 2a20 s TRP 132 N -0.47 2.76 -0.10 -0.03 0.52 -1.26 -0.41 118.94 119.95 2a20 s TRP 132 Ca -0.03 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.73 2a20 s TRP 132 Cb -0.04 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 2a20 s TRP 132 CO -0.00 -0.01 -0.22 0.08 0.02 0.00 0.00 176.95 176.82 2a20 s VAL 133 N -0.20 2.22 0.75 4.03 1.01 -0.58 0.16 120.40 127.80 2a20 s VAL 133 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2a20 s VAL 133 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.44 2a20 s VAL 133 CO 0.03 0.56 1.16 0.00 0.00 0.00 0.00 175.10 176.85 2a20 h ASN 135 N -0.58 0.00 0.62 0.00 4.21 -1.86 0.77 115.58 118.74 2a20 h ASN 135 Ca -0.46 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 56.77 2a20 h ASN 135 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 2a20 h ASN 135 CO 0.49 0.00 -1.36 -0.07 -1.29 0.00 0.00 177.43 175.20 2a20 h LEU 136 N 0.00 0.27 0.09 1.61 3.38 -1.89 -3.02 115.31 115.75 2a20 h LEU 136 Ca 0.05 -0.34 -0.33 0.00 0.09 0.00 0.00 57.88 57.34 2a20 h LEU 136 Cb 0.83 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2a20 h LEU 136 CO -0.00 1.28 -1.83 0.00 0.09 0.00 0.00 178.44 177.98 2a20 h ARG 138 N 0.05 1.11 -0.09 0.00 2.43 0.25 0.98 114.38 119.11 2a20 h ARG 138 Ca -0.35 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2a20 h ARG 138 Cb 2.03 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 31.38 2a20 h ARG 138 CO 0.10 0.88 0.00 -0.22 -1.51 0.00 0.00 179.97 179.22 2a20 h LYS 139 N 1.07 0.15 0.00 0.20 3.64 -1.68 -2.10 116.57 117.85 2a20 h LYS 139 Ca 0.26 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2a20 h LYS 139 Cb 0.16 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2a20 h LYS 139 CO -0.03 0.40 -0.12 1.96 -2.27 0.00 0.00 179.45 179.39 2a20 h GLN 140 N -0.12 0.00 0.00 1.90 4.20 -1.57 -2.99 115.11 116.54 2a20 h GLN 140 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2a20 h GLN 140 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2a20 h GLN 140 CO 0.00 0.12 0.00 0.37 -0.67 0.00 0.00 178.83 178.65 2a20 h GLN 141 N 0.00 0.00 -0.03 1.46 4.15 0.12 -3.51 115.11 117.31 2a20 h GLN 141 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2a20 h GLN 141 Cb 0.87 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2a20 h GLN 141 CO 0.02 0.00 0.00 -0.85 -1.93 0.00 0.00 178.83 176.07