#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 0.54 0.00 -1.09 2.12 -1.26 -5.07 118.70 113.94 2a20 s GLU 84 Ca 0.00 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.46 2a20 s GLU 84 Cb 0.00 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.67 2a20 s GLU 84 CO 0.00 -0.18 0.00 0.94 -0.54 0.00 0.00 175.26 175.48 2a20 n GLN 85 N 4.71 0.00 -1.97 4.30 7.27 -1.26 -5.15 117.38 125.28 2a20 n GLN 85 Ca -0.17 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.60 2a20 n GLN 85 Cb 0.54 0.00 0.18 0.00 2.41 0.00 0.00 30.24 33.37 2a20 n GLN 85 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2a20 s LYS 86 N -0.27 0.73 0.00 3.69 0.00 -1.26 -5.06 119.74 117.58 2a20 s LYS 86 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 55.97 55.54 2a20 s LYS 86 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.96 2a20 s LYS 86 CO 0.00 -2.34 0.00 0.41 0.00 0.00 0.00 175.35 173.42 2a20 n GLY 87 N -3.71 -1.77 3.09 0.59 0.00 -1.26 -4.87 105.19 97.26 2a20 n GLY 87 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.18 2.37 0.84 1.61 2.15 -1.26 -5.13 116.67 115.07 2a20 s ASP 88 Ca 0.00 -0.42 -0.11 0.00 0.43 0.00 0.00 52.55 52.45 2a20 s ASP 88 Cb 0.00 -1.08 0.09 0.00 -0.30 0.00 0.00 42.92 41.64 2a20 s ASP 88 CO 0.00 0.06 1.09 0.00 -0.17 0.00 0.00 175.17 176.15 2a20 s ALA 89 N 0.72 1.88 0.12 3.66 0.00 -1.26 -5.01 121.76 121.86 2a20 s ALA 89 Ca -0.12 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 2a20 s ALA 89 Cb -0.16 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 2a20 s ALA 89 CO 0.03 -2.07 0.80 -1.25 0.00 0.00 0.00 175.76 173.27 2a20 s PRO 90 N -4.93 4.57 0.02 0.00 0.05 -1.26 -5.01 135.00 128.44 2a20 s PRO 90 Ca 0.62 1.18 0.01 0.00 0.05 0.00 0.00 61.00 62.86 2a20 s PRO 90 Cb -0.17 -3.31 -0.02 0.00 0.05 0.00 0.00 34.50 31.04 2a20 s PRO 90 CO 0.56 0.42 -0.06 0.95 0.05 0.00 0.00 177.00 178.93 2a20 s THR 91 N -0.60 0.37 0.26 1.26 -4.23 -1.26 -2.37 115.64 109.07 2a20 s THR 91 Ca 0.38 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 2a20 s THR 91 Cb -0.22 -0.43 -0.10 0.00 1.34 0.00 0.00 72.50 73.09 2a20 s THR 91 CO 0.26 -0.28 1.33 0.00 -0.54 0.00 0.00 174.62 175.39 2a20 n GLY 93 N 1.76 1.15 1.18 0.00 0.00 0.37 -2.08 105.19 107.57 2a20 n GLY 93 Ca 0.04 -0.20 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 0.10 0.00 1.09 -0.61 -0.00 -1.26 -4.86 119.36 113.81 2a20 n ILE 94 Ca 0.06 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.94 2a20 n ILE 94 Cb 0.36 -0.76 0.29 0.00 -0.00 0.00 0.00 39.64 39.53 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 -1.20 -1.69 -0.01 0.00 1.44 -0.88 -4.74 115.22 108.15 2a20 n HIS 96 Ca 0.08 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.75 2a20 n HIS 96 Cb 0.34 -1.80 -0.01 0.00 0.12 0.00 0.00 29.99 28.64 2a20 n HIS 96 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2a20 n LYS 97 N -2.58 0.21 -1.81 -1.40 5.02 -1.26 -4.78 118.16 111.56 2a20 n LYS 97 Ca -0.07 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 2a20 n LYS 97 Cb 0.53 -0.83 -0.03 0.00 -0.02 0.00 0.00 35.03 34.68 2a20 n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2a20 s THR 98 N -2.24 3.26 -0.21 -0.18 2.01 -1.26 -4.84 115.64 112.16 2a20 s THR 98 Ca -0.11 0.30 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 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 0.17 -0.08 0.37 -0.54 -0.69 0.00 0.00 174.62 173.85 2a20 s LYS 99 N 4.86 4.15 1.43 4.92 1.02 -1.26 -2.31 119.74 132.55 2a20 s LYS 99 Ca 0.85 0.13 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 2a20 s LYS 99 Cb -0.35 -3.55 0.37 0.00 -0.52 0.00 0.00 37.83 33.78 2a20 s LYS 99 CO 0.35 -0.05 0.93 -0.06 -0.92 0.00 0.00 175.35 175.61 2a20 s PHE 100 N 1.36 -0.76 0.14 3.18 0.08 -1.00 -4.95 117.98 116.02 2a20 s PHE 100 Ca 0.17 0.52 0.06 0.00 0.12 0.00 0.00 56.93 57.80 2a20 s PHE 100 Cb -0.15 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2a20 s PHE 100 CO 0.08 -5.04 -0.13 0.00 -0.10 0.00 0.00 175.22 170.03 2a20 s ALA 101 N -2.30 1.53 0.00 5.36 0.00 -1.26 -4.60 121.76 120.49 2a20 s ALA 101 Ca 0.69 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2a20 s ALA 101 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2a20 s ALA 101 CO 0.57 0.03 0.00 -3.47 0.00 0.00 0.00 175.76 172.89 2a20 n ASP 102 N 0.19 -3.04 0.00 0.00 2.03 -1.26 -3.03 116.55 111.44 2a20 n ASP 102 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2a20 n ASP 102 Cb 0.59 -1.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a20 n GLY 103 N -1.29 2.66 2.96 0.27 0.00 -1.26 -5.03 105.19 103.49 2a20 n GLY 103 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 2.96 0.53 3.57 0.00 0.00 -1.26 -4.32 105.19 106.67 2a20 n GLY 105 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 3.72 3.22 -0.09 1.61 0.09 -0.97 -4.97 115.29 117.90 2a20 s HIS 106 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 55.06 55.13 2a20 s HIS 106 Cb 0.00 -2.53 -0.03 0.00 -0.00 0.00 0.00 32.58 30.02 2a20 s HIS 106 CO 0.00 -0.29 -0.05 -0.80 -0.00 0.00 0.00 174.74 173.60 2a20 s ASN 107 N 1.72 4.78 0.07 1.40 0.02 -1.26 0.63 114.94 122.30 2a20 s ASN 107 Ca 0.10 -0.02 -0.34 0.00 -1.02 0.00 0.00 52.86 51.58 2a20 s ASN 107 Cb -0.16 -1.37 -0.13 0.00 0.02 0.00 0.00 41.25 39.61 2a20 s ASN 107 CO 0.11 0.32 1.69 0.00 0.02 0.00 0.00 177.10 179.24 2a20 h SER 109 N 7.19 0.00 0.00 0.00 0.87 0.46 0.97 113.55 123.04 2a20 h SER 109 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 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 0.91 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.99 2a20 n TYR 110 N -2.76 0.00 0.22 2.24 4.01 -1.26 -4.71 117.16 114.90 2a20 n TYR 110 Ca -0.02 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.90 2a20 n TYR 110 Cb 0.13 0.00 0.85 0.00 -0.31 0.00 0.00 39.34 40.01 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 -3.61 -0.60 -2.13 0.00 1.13 0.34 -4.93 117.38 107.58 2a20 n GLN 112 Ca 0.01 0.15 -0.39 0.00 -1.94 0.00 0.00 57.00 54.83 2a20 n GLN 112 Cb 0.34 -3.84 -0.01 0.00 0.11 0.00 0.00 30.24 26.84 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 -1.88 2.79 -0.38 5.09 2.01 -1.26 -4.41 115.64 117.60 2a20 s THR 113 Ca 0.00 0.68 -0.25 0.00 0.31 0.00 0.00 61.69 62.43 2a20 s THR 113 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.13 2a20 s THR 113 CO 0.00 0.08 0.88 -0.54 -0.69 0.00 0.00 174.62 174.35 2a20 s LYS 114 N -2.31 3.77 0.21 4.92 1.02 -1.26 -0.61 119.74 125.48 2a20 s LYS 114 Ca 0.58 0.43 0.04 0.00 0.02 0.00 0.00 55.97 57.05 2a20 s LYS 114 Cb -0.35 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.09 2a20 s LYS 114 CO 0.45 -0.96 -0.05 -0.59 -0.92 0.00 0.00 175.35 173.29 2a20 s PHE 115 N 3.39 1.50 0.71 3.18 -0.12 0.21 0.14 117.98 126.99 2a20 s PHE 115 Ca 0.36 -0.83 -0.05 0.00 -0.05 0.00 0.00 56.93 56.35 2a20 s PHE 115 Cb -0.12 -0.83 0.08 0.00 -0.63 0.00 0.00 43.02 41.52 2a20 s PHE 115 CO 0.19 0.05 1.00 0.00 -0.05 0.00 0.00 175.22 176.41 2a20 h ALA 117 N -0.57 1.00 0.00 0.00 0.00 -1.93 -0.25 119.26 117.52 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 0.53 0.00 -1.10 0.54 0.00 0.00 0.00 179.25 179.22 2a20 n ARG 118 N -2.43 0.50 -1.34 0.00 1.74 -1.26 -4.09 116.66 109.79 2a20 n ARG 118 Ca -0.02 0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 56.91 2a20 n ARG 118 Cb 0.06 -1.72 0.11 0.00 -1.02 0.00 0.00 32.46 29.89 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 -0.96 1.11 3.42 0.00 0.00 -1.19 -2.91 105.19 104.66 2a20 n GLY 120 Ca 0.47 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.58 -0.03 -0.02 0.00 0.32 -4.76 107.32 104.41 2a20 s GLY 121 Ca 0.00 -1.37 -0.21 0.00 0.00 0.00 0.00 44.72 43.15 2a20 s GLY 121 CO 0.00 -1.32 0.60 -1.60 0.00 0.00 0.00 173.10 170.79 2a20 s ARG 122 N -1.85 4.35 -0.08 2.90 3.52 -1.26 -0.35 118.95 126.17 2a20 s ARG 122 Ca 0.15 0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 56.48 2a20 s ARG 122 Cb -0.10 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2a20 s ARG 122 CO 0.06 0.28 -0.05 0.08 -0.81 0.00 0.00 175.30 174.86 2a20 s VAL 123 N 0.12 0.75 -0.05 7.11 1.01 0.23 -4.97 120.40 124.60 2a20 s VAL 123 Ca 0.32 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 2a20 s VAL 123 Cb -0.18 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2a20 s VAL 123 CO 0.17 0.31 0.39 -0.55 0.00 0.00 0.00 175.10 175.41 2a20 s SER 124 N 1.48 6.71 -0.21 3.32 0.15 -1.26 -2.23 113.70 121.65 2a20 s SER 124 Ca -0.01 0.84 -0.14 0.00 0.70 0.00 0.00 55.95 57.34 2a20 s SER 124 Cb -0.13 -2.24 -0.19 0.00 -1.71 0.00 0.00 66.02 61.75 2a20 s SER 124 CO -0.04 0.24 0.06 0.18 1.20 0.00 0.00 173.24 174.88 2a20 n LEU 125 N 2.42 2.18 0.14 3.45 4.77 -1.09 -4.96 117.00 123.92 2a20 n LEU 125 Ca -0.13 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2a20 n LEU 125 Cb 0.52 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2a20 n LEU 125 CO 0.38 0.55 0.00 0.54 -1.33 0.00 0.00 177.39 177.54 2a20 n ARG 126 N -4.05 0.00 0.00 3.23 1.74 -1.26 -5.05 116.66 111.27 2a20 n ARG 126 Ca -0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 2a20 n ARG 126 Cb 0.85 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 2a20 n ARG 126 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2a20 n SER 127 N -3.42 0.00 -0.05 0.55 3.41 -1.26 -4.96 113.62 107.89 2a20 n SER 127 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2a20 n SER 127 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2a20 n SER 127 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2a20 n ASN 128 N -0.62 1.27 -4.49 4.04 4.13 -1.26 -4.84 115.26 113.48 2a20 n ASN 128 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2a20 n ASN 128 Cb 0.00 1.19 -0.03 0.00 -1.54 0.00 0.00 39.78 39.40 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 -2.65 3.34 -0.05 3.52 -0.14 -1.26 -5.01 119.74 117.49 2a20 s LYS 129 Ca -0.07 -1.00 -0.09 0.00 -1.36 0.00 0.00 55.97 53.45 2a20 s LYS 129 Cb 0.07 -4.61 -0.05 0.00 -1.68 0.00 0.00 37.83 31.56 2a20 s LYS 129 CO 0.64 -1.95 0.24 0.08 -0.76 0.00 0.00 175.35 173.60 2a20 s VAL 130 N 4.25 5.33 -0.00 3.17 1.01 -1.26 -2.66 120.40 130.23 2a20 s VAL 130 Ca 0.32 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 2a20 s VAL 130 Cb -0.09 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2a20 s VAL 130 CO 0.02 0.54 0.05 0.00 0.00 0.00 0.00 175.10 175.71 2a20 s MET 131 N -1.24 0.25 -0.08 2.72 0.23 -0.95 -5.03 119.30 115.21 2a20 s MET 131 Ca 0.21 -0.27 0.04 0.00 -1.03 0.00 0.00 55.69 54.64 2a20 s MET 131 Cb -0.14 0.10 -0.01 0.00 -1.53 0.00 0.00 34.83 33.25 2a20 s MET 131 CO 0.10 -0.05 -0.21 -1.58 -2.03 0.00 0.00 175.02 171.25 2a20 s TRP 132 N -0.82 2.57 -0.20 3.16 0.52 -1.25 -0.60 118.94 122.32 2a20 s TRP 132 Ca -0.09 -0.72 -0.02 0.00 0.02 0.00 0.00 56.10 55.28 2a20 s TRP 132 Cb -0.05 -1.68 -0.00 0.00 -1.15 0.00 0.00 33.47 30.59 2a20 s TRP 132 CO 0.00 -0.22 -0.09 0.08 0.02 0.00 0.00 176.95 176.74 2a20 s VAL 133 N -0.01 3.03 0.79 4.03 1.01 0.53 0.11 120.40 129.89 2a20 s VAL 133 Ca -0.07 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 2a20 s VAL 133 Cb -0.15 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 33.96 2a20 s VAL 133 CO 0.05 0.47 1.17 0.00 0.00 0.00 0.00 175.10 176.78 2a20 h ASN 135 N -0.92 0.00 0.46 0.00 7.08 -1.86 0.87 115.58 121.21 2a20 h ASN 135 Ca -0.45 0.00 -0.30 0.00 -3.08 0.00 0.00 56.30 52.46 2a20 h ASN 135 Cb 1.28 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.52 2a20 h ASN 135 CO 0.47 0.00 -1.45 -0.07 -2.08 0.00 0.00 177.43 174.31 2a20 h LEU 136 N 0.00 0.50 0.07 6.14 3.38 -1.88 -2.99 115.31 120.52 2a20 h LEU 136 Ca 0.00 -0.61 -0.32 0.00 0.09 0.00 0.00 57.88 57.04 2a20 h LEU 136 Cb 0.55 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2a20 h LEU 136 CO 0.00 1.49 -1.78 0.00 0.09 0.00 0.00 178.44 178.25 2a20 h ARG 138 N 0.04 1.13 0.06 0.00 2.43 0.51 0.52 114.38 119.06 2a20 h ARG 138 Ca -0.33 -0.19 -0.15 0.00 -0.81 0.00 0.00 59.98 58.50 2a20 h ARG 138 Cb 2.02 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 31.39 2a20 h ARG 138 CO 0.10 0.90 -0.62 -0.22 -1.51 0.00 0.00 179.97 178.62 2a20 h LYS 139 N 1.10 0.31 0.00 0.20 3.64 -1.67 -3.11 116.57 117.04 2a20 h LYS 139 Ca 0.26 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2a20 h LYS 139 Cb 0.19 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2a20 h LYS 139 CO -0.02 1.14 -0.23 0.37 -2.27 0.00 0.00 179.45 178.43 2a20 h GLN 140 N -0.32 0.00 0.00 1.90 4.15 -1.43 -1.45 115.11 117.96 2a20 h GLN 140 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2a20 h GLN 140 Cb 1.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2a20 h GLN 140 CO 0.12 0.23 0.00 0.94 -1.93 0.00 0.00 178.83 178.19 2a20 n GLN 141 N -3.98 0.00 0.00 1.69 7.27 0.18 -5.06 117.38 117.48 2a20 n GLN 141 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.10 2a20 n GLN 141 Cb 0.31 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.46 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22