#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 0.33 0.13 3.69 2.02 -1.26 -5.16 118.70 118.46 2a20 s GLU 84 Ca 0.00 0.52 -0.16 0.00 0.02 0.00 0.00 54.97 55.35 2a20 s GLU 84 Cb 0.00 0.07 -0.07 0.00 0.10 0.00 0.00 34.13 34.23 2a20 s GLU 84 CO 0.00 -0.09 0.56 -1.14 0.02 0.00 0.00 175.26 174.61 2a20 s GLN 85 N 0.66 4.04 -0.25 1.61 0.74 -1.26 -5.08 119.66 120.12 2a20 s GLN 85 Ca -0.04 0.56 -0.09 0.00 0.05 0.00 0.00 55.36 55.84 2a20 s GLN 85 Cb -0.05 -3.00 0.10 0.00 1.10 0.00 0.00 33.01 31.17 2a20 s GLN 85 CO -0.04 0.51 0.54 -1.59 -0.55 0.00 0.00 175.29 174.16 2a20 s LYS 86 N -1.77 0.47 -0.10 1.67 0.00 -1.26 -5.03 119.74 113.72 2a20 s LYS 86 Ca 0.36 1.21 0.15 0.00 0.00 0.00 0.00 55.97 57.69 2a20 s LYS 86 Cb -0.16 0.52 0.22 0.00 0.00 0.00 0.00 37.83 38.42 2a20 s LYS 86 CO 0.19 -0.21 1.11 0.41 0.00 0.00 0.00 175.35 176.84 2a20 n GLY 87 N 5.25 4.10 2.74 0.59 0.00 -1.26 -4.97 105.19 111.64 2a20 n GLY 87 Ca -0.12 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.43 2.50 0.95 1.61 -1.08 -1.26 -5.14 116.67 111.81 2a20 s ASP 88 Ca 0.25 -0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 51.55 2a20 s ASP 88 Cb 0.22 -0.53 0.16 0.00 -1.46 0.00 0.00 42.92 41.30 2a20 s ASP 88 CO 0.02 -0.28 1.12 0.00 0.52 0.00 0.00 175.17 176.55 2a20 s ALA 89 N 1.91 1.42 -0.12 3.66 0.00 -1.26 -5.00 121.76 122.36 2a20 s ALA 89 Ca 0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 2a20 s ALA 89 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2a20 s ALA 89 CO -0.07 -2.52 0.92 -2.14 0.00 0.00 0.00 175.76 171.95 2a20 s PRO 90 N -5.13 4.38 0.04 0.00 0.02 -1.26 -5.03 135.00 128.01 2a20 s PRO 90 Ca 0.64 1.23 0.03 0.00 0.02 0.00 0.00 61.00 62.92 2a20 s PRO 90 Cb -0.16 -3.54 -0.02 0.00 0.02 0.00 0.00 34.50 30.79 2a20 s PRO 90 CO 0.55 -0.29 -0.10 0.95 -0.33 0.00 0.00 177.00 177.78 2a20 s THR 91 N 1.95 0.77 0.28 0.99 -4.23 -1.26 -2.44 115.64 111.71 2a20 s THR 91 Ca 0.44 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 2a20 s THR 91 Cb -0.18 -0.75 -0.10 0.00 1.34 0.00 0.00 72.50 72.82 2a20 s THR 91 CO 0.16 -0.15 1.27 0.00 -0.54 0.00 0.00 174.62 175.36 2a20 n GLY 93 N 1.33 0.61 1.09 0.00 0.00 0.42 -1.98 105.19 106.66 2a20 n GLY 93 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.03 0.02 1.09 -0.61 -0.00 -1.26 -4.84 119.36 113.78 2a20 n ILE 94 Ca 0.05 0.01 0.12 0.00 -0.00 0.00 0.00 62.75 62.94 2a20 n ILE 94 Cb 0.27 -0.92 0.32 0.00 -0.00 0.00 0.00 39.64 39.30 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 -1.24 -1.51 -0.01 0.00 1.44 -0.84 -4.70 115.22 108.36 2a20 n HIS 96 Ca 0.08 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.74 2a20 n HIS 96 Cb 0.34 -1.70 -0.01 0.00 0.12 0.00 0.00 29.99 28.73 2a20 n HIS 96 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2a20 n LYS 97 N -2.31 0.19 -1.79 -1.40 3.00 -1.26 -4.76 118.16 109.82 2a20 n LYS 97 Ca -0.06 0.08 -0.43 0.00 -0.00 0.00 0.00 58.31 57.90 2a20 n LYS 97 Cb 0.45 -0.83 -0.03 0.00 0.00 0.00 0.00 35.03 34.63 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 -2.29 3.24 -0.18 3.15 2.01 -1.26 -4.84 115.64 115.46 2a20 s THR 98 Ca -0.11 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 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 0.15 -0.10 0.44 -0.54 -0.69 0.00 0.00 174.62 173.88 2a20 s LYS 99 N 5.17 4.22 1.15 4.92 1.02 -1.26 -2.26 119.74 132.70 2a20 s LYS 99 Ca 0.87 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.99 2a20 s LYS 99 Cb -0.34 -3.51 0.17 0.00 -0.52 0.00 0.00 37.83 33.63 2a20 s LYS 99 CO 0.35 -0.01 0.34 1.19 -0.92 0.00 0.00 175.35 176.31 2a20 n PHE 100 N 4.32 -1.41 -0.03 3.18 3.72 -1.02 -4.90 117.46 121.32 2a20 n PHE 100 Ca -0.07 0.02 -0.03 0.00 -0.05 0.00 0.00 57.45 57.32 2a20 n PHE 100 Cb 0.51 -1.60 -0.02 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 h ALA 101 N -2.31 -0.41 0.00 4.37 0.00 -1.93 -3.44 119.26 115.55 2a20 h ALA 101 Ca -0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2a20 h ALA 101 Cb 1.35 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2a20 h ALA 101 CO 0.42 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 2a20 n ASP 102 N -3.26 0.00 0.00 0.00 5.75 -1.26 -5.01 116.55 112.77 2a20 n ASP 102 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2a20 n ASP 102 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a20 n GLY 103 N 0.00 -1.79 1.97 6.12 0.00 -1.26 -5.04 105.19 105.20 2a20 n GLY 103 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 1.77 0.59 3.66 0.00 0.00 -1.26 -4.82 105.19 105.13 2a20 n GLY 105 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 1.99 3.35 -0.10 1.61 3.76 -1.00 -4.97 115.29 119.92 2a20 s HIS 106 Ca 0.00 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.42 2a20 s HIS 106 Cb 0.00 -2.47 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 2a20 s HIS 106 CO 0.00 -0.02 -0.12 -0.80 -0.85 0.00 0.00 174.74 172.95 2a20 s ASN 107 N 1.12 4.13 0.03 1.40 0.02 -1.26 0.12 114.94 120.50 2a20 s ASN 107 Ca 0.16 -0.24 -0.33 0.00 -1.02 0.00 0.00 52.86 51.43 2a20 s ASN 107 Cb -0.15 -1.33 -0.12 0.00 0.02 0.00 0.00 41.25 39.67 2a20 s ASN 107 CO 0.07 0.24 1.81 0.00 0.02 0.00 0.00 177.10 179.25 2a20 h SER 109 N 8.48 0.00 0.00 0.00 0.87 0.14 0.24 113.55 123.28 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 0.93 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 176.01 2a20 n TYR 110 N -2.59 0.00 0.29 2.24 4.02 -1.26 -4.70 117.16 115.17 2a20 n TYR 110 Ca -0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.03 2a20 n TYR 110 Cb 0.07 0.00 0.91 0.00 -0.02 0.00 0.00 39.34 40.30 2a20 n TYR 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a20 n GLN 112 N -3.62 -0.22 -2.08 0.00 1.13 0.84 -4.94 117.38 108.48 2a20 n GLN 112 Ca -0.03 0.06 -0.37 0.00 -1.94 0.00 0.00 57.00 54.72 2a20 n GLN 112 Cb 0.13 -3.28 0.01 0.00 0.11 0.00 0.00 30.24 27.21 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 -2.58 2.73 -0.39 5.09 2.01 -1.26 -4.36 115.64 116.89 2a20 s THR 113 Ca 0.00 0.55 -0.24 0.00 0.31 0.00 0.00 61.69 62.31 2a20 s THR 113 Cb 0.00 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.25 2a20 s THR 113 CO 0.00 -0.01 0.82 -0.54 -0.69 0.00 0.00 174.62 174.20 2a20 s LYS 114 N -2.79 3.70 0.24 4.92 1.02 -1.26 -0.26 119.74 125.31 2a20 s LYS 114 Ca 0.67 0.28 0.06 0.00 0.02 0.00 0.00 55.97 57.01 2a20 s LYS 114 Cb -0.33 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.09 2a20 s LYS 114 CO 0.39 -0.94 -0.08 -0.59 -0.92 0.00 0.00 175.35 173.21 2a20 s PHE 115 N 3.26 1.79 0.70 3.18 -0.12 0.33 0.16 117.98 127.28 2a20 s PHE 115 Ca 0.33 -0.69 -0.05 0.00 -0.05 0.00 0.00 56.93 56.47 2a20 s PHE 115 Cb -0.12 -0.96 0.07 0.00 -0.63 0.00 0.00 43.02 41.38 2a20 s PHE 115 CO 0.19 0.26 0.99 0.00 -0.05 0.00 0.00 175.22 176.60 2a20 h ALA 117 N -0.54 1.10 0.00 0.00 0.00 -1.94 0.39 119.26 118.27 2a20 h ALA 117 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2a20 h ALA 117 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2a20 h ALA 117 CO 0.54 -0.10 -1.18 0.54 0.00 0.00 0.00 179.25 179.05 2a20 n ARG 118 N -2.80 0.29 -1.19 0.00 1.74 -1.26 -4.20 116.66 109.24 2a20 n ARG 118 Ca -0.02 -0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 2a20 n ARG 118 Cb 0.16 -1.56 0.14 0.00 -1.02 0.00 0.00 32.46 30.18 2a20 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a20 n GLY 120 N -1.02 1.68 3.39 0.00 0.00 -1.18 -2.92 105.19 105.13 2a20 n GLY 120 Ca 0.46 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2a20 n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a20 s GLY 121 N -0.47 -0.46 -0.07 -0.02 0.00 0.10 -4.57 107.32 101.83 2a20 s GLY 121 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.75 2a20 s GLY 121 CO 0.00 -0.04 0.62 -1.60 0.00 0.00 0.00 173.10 172.08 2a20 s ARG 122 N -3.78 4.39 -0.42 2.90 3.52 -1.26 -1.76 118.95 122.54 2a20 s ARG 122 Ca 0.02 0.74 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 2a20 s ARG 122 Cb 0.00 -3.43 0.12 0.00 -1.56 0.00 0.00 34.95 30.09 2a20 s ARG 122 CO -0.12 0.15 0.20 0.08 -0.81 0.00 0.00 175.30 174.79 2a20 s VAL 123 N 0.57 1.53 -0.12 7.11 1.01 0.22 -4.96 120.40 125.77 2a20 s VAL 123 Ca 0.33 -2.42 -0.15 0.00 0.00 0.00 0.00 61.98 59.74 2a20 s VAL 123 Cb -0.17 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2a20 s VAL 123 CO 0.16 -0.82 0.38 -0.44 0.00 0.00 0.00 175.10 174.38 2a20 s SER 124 N 0.56 6.59 -0.21 3.32 0.01 -1.26 -1.60 113.70 121.11 2a20 s SER 124 Ca 0.15 0.70 -0.14 0.00 1.31 0.00 0.00 55.95 57.97 2a20 s SER 124 Cb -0.23 -2.23 -0.19 0.00 0.21 0.00 0.00 66.02 63.58 2a20 s SER 124 CO -0.05 0.11 0.10 0.18 0.41 0.00 0.00 173.24 173.99 2a20 n LEU 125 N 3.27 2.17 0.00 2.44 4.77 -1.15 -4.98 117.00 123.52 2a20 n LEU 125 Ca -0.11 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2a20 n LEU 125 Cb 0.52 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2a20 n LEU 125 CO 0.40 0.54 0.00 0.54 -1.33 0.00 0.00 177.39 177.54 2a20 n ARG 126 N -4.06 0.00 0.00 3.23 5.12 -1.26 -5.09 116.66 114.61 2a20 n ARG 126 Ca -0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 2a20 n ARG 126 Cb 0.84 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.14 2a20 n ARG 126 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2a20 n SER 127 N -2.27 0.00 -2.24 0.55 7.64 -1.26 -4.95 113.62 111.09 2a20 n SER 127 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2a20 n SER 127 Cb 0.00 0.16 0.13 0.00 -1.01 0.00 0.00 64.21 63.50 2a20 n SER 127 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2a20 n ASN 128 N -1.75 5.49 -3.32 6.43 0.23 -1.26 -4.73 115.26 116.36 2a20 n ASN 128 Ca 0.00 -3.70 -0.11 0.00 -0.53 0.00 0.00 54.58 50.24 2a20 n ASN 128 Cb 0.00 -0.89 -0.06 0.00 -2.08 0.00 0.00 39.78 36.75 2a20 n ASN 128 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2a20 s LYS 129 N -3.54 0.68 -0.20 -3.83 1.02 -1.26 -5.11 119.74 107.50 2a20 s LYS 129 Ca 0.60 -0.64 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 2a20 s LYS 129 Cb 0.49 -0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 2a20 s LYS 129 CO 0.05 -1.19 0.10 0.08 -0.92 0.00 0.00 175.35 173.48 2a20 s VAL 130 N 1.60 5.09 -0.01 3.17 1.01 -1.26 -2.95 120.40 127.05 2a20 s VAL 130 Ca 0.16 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.24 2a20 s VAL 130 Cb -0.12 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 2a20 s VAL 130 CO -0.06 0.44 -0.07 -0.04 0.00 0.00 0.00 175.10 175.37 2a20 s MET 131 N 0.44 0.60 -0.08 2.72 -1.94 -0.63 -5.00 119.30 115.41 2a20 s MET 131 Ca 0.06 -0.24 -0.01 0.00 -1.71 0.00 0.00 55.69 53.78 2a20 s MET 131 Cb -0.12 -0.59 -0.03 0.00 2.01 0.00 0.00 34.83 36.10 2a20 s MET 131 CO -0.00 0.13 -0.01 -1.58 -0.01 0.00 0.00 175.02 173.55 2a20 s TRP 132 N -0.08 3.12 -0.07 -0.03 0.52 -1.26 0.72 118.94 121.87 2a20 s TRP 132 Ca 0.01 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.30 2a20 s TRP 132 Cb -0.04 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 2a20 s TRP 132 CO -0.00 0.43 -0.09 0.08 0.02 0.00 0.00 176.95 177.38 2a20 s VAL 133 N -0.83 0.97 0.75 4.03 1.01 -0.73 0.17 120.40 125.78 2a20 s VAL 133 Ca 0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 2a20 s VAL 133 Cb -0.11 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.37 2a20 s VAL 133 CO 0.02 0.33 1.09 0.00 0.00 0.00 0.00 175.10 176.54 2a20 h ASN 135 N -0.40 0.00 0.67 0.00 7.08 -1.78 0.71 115.58 121.87 2a20 h ASN 135 Ca -0.47 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 52.48 2a20 h ASN 135 Cb 1.32 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.55 2a20 h ASN 135 CO 0.47 0.00 -1.28 -0.07 -2.08 0.00 0.00 177.43 174.47 2a20 h LEU 136 N 0.00 0.28 0.09 6.14 3.38 -1.88 -2.92 115.31 120.40 2a20 h LEU 136 Ca 0.00 -0.33 -0.33 0.00 0.09 0.00 0.00 57.88 57.30 2a20 h LEU 136 Cb 0.50 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2a20 h LEU 136 CO 0.00 1.27 -1.83 0.00 0.09 0.00 0.00 178.44 177.96 2a20 h ARG 138 N 0.05 0.60 0.02 0.00 2.43 0.14 -1.64 114.38 115.98 2a20 h ARG 138 Ca -0.35 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.54 2a20 h ARG 138 Cb 2.03 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.45 2a20 h ARG 138 CO 0.10 0.52 -1.03 -0.22 -1.51 0.00 0.00 179.97 177.83 2a20 h LYS 139 N 0.59 0.05 -0.24 0.20 3.64 -1.65 -2.91 116.57 116.26 2a20 h LYS 139 Ca 0.14 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2a20 h LYS 139 Cb 0.17 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2a20 h LYS 139 CO -0.01 1.04 0.35 0.37 -2.27 0.00 0.00 179.45 178.93 2a20 h GLN 140 N -0.85 0.00 -0.05 1.90 4.15 -1.41 0.36 115.11 119.22 2a20 h GLN 140 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2a20 h GLN 140 Cb 1.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.03 2a20 h GLN 140 CO -0.11 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.73 2a20 n GLN 141 N -3.48 1.36 0.00 1.69 7.27 -0.62 -5.06 117.38 118.54 2a20 n GLN 141 Ca 0.03 -1.52 0.00 0.00 0.07 0.00 0.00 57.00 55.58 2a20 n GLN 141 Cb 0.48 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.81 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22