#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 1.05 0.29 2.61 2.02 -1.26 -5.13 118.70 118.28 2a20 s GLU 84 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2a20 s GLU 84 Cb 0.00 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 2a20 s GLU 84 CO 0.00 -0.46 0.16 1.14 0.02 0.00 0.00 175.26 176.12 2a20 s GLN 85 N 1.77 1.55 -0.12 1.61 -2.07 -1.26 -5.08 119.66 116.06 2a20 s GLN 85 Ca 0.01 -1.87 0.21 0.00 -1.82 0.00 0.00 55.36 51.88 2a20 s GLN 85 Cb -0.15 -0.01 0.45 0.00 -1.09 0.00 0.00 33.01 32.20 2a20 s GLN 85 CO -0.07 -0.45 1.17 1.63 -1.32 0.00 0.00 175.29 176.24 2a20 n LYS 86 N -0.54 0.99 0.00 9.60 5.02 -1.26 -4.99 118.16 126.99 2a20 n LYS 86 Ca 0.02 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 2a20 n LYS 86 Cb 0.65 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 2a20 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a20 n GLY 87 N -0.17 -1.05 3.86 0.72 0.00 -1.26 -5.16 105.19 102.13 2a20 n GLY 87 Ca 0.12 0.90 -0.35 0.00 0.00 0.00 0.00 46.02 46.69 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 6.72 0.83 1.61 2.15 -1.26 -5.08 116.67 121.64 2a20 s ASP 88 Ca 0.00 0.90 -0.11 0.00 0.43 0.00 0.00 52.55 53.77 2a20 s ASP 88 Cb 0.00 -2.22 0.09 0.00 -0.30 0.00 0.00 42.92 40.49 2a20 s ASP 88 CO 0.00 0.16 1.09 0.00 -0.17 0.00 0.00 175.17 176.25 2a20 s ALA 89 N -1.40 1.93 -0.01 3.66 0.00 -1.26 -5.01 121.76 119.67 2a20 s ALA 89 Ca 0.34 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 2a20 s ALA 89 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2a20 s ALA 89 CO 0.18 -2.02 0.81 -1.25 0.00 0.00 0.00 175.76 173.47 2a20 s PRO 90 N -4.94 4.50 0.03 0.00 0.05 -1.26 -5.04 135.00 128.34 2a20 s PRO 90 Ca 0.62 1.10 0.02 0.00 0.05 0.00 0.00 61.00 62.79 2a20 s PRO 90 Cb -0.17 -3.43 -0.02 0.00 0.05 0.00 0.00 34.50 30.93 2a20 s PRO 90 CO 0.56 0.09 -0.07 0.95 0.05 0.00 0.00 177.00 178.58 2a20 s THR 91 N 0.61 0.53 0.26 1.26 -4.23 -1.26 -2.72 115.64 110.09 2a20 s THR 91 Ca 0.42 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.72 2a20 s THR 91 Cb -0.20 -0.57 -0.10 0.00 1.34 0.00 0.00 72.50 72.98 2a20 s THR 91 CO 0.23 -0.28 1.29 0.00 -0.54 0.00 0.00 174.62 175.32 2a20 n GLY 93 N 1.62 0.22 1.02 0.00 0.00 0.36 -1.90 105.19 106.51 2a20 n GLY 93 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 0.00 1.04 -0.61 -0.00 -1.26 -4.84 119.36 113.65 2a20 n ILE 94 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.92 2a20 n ILE 94 Cb 0.20 -0.96 0.29 0.00 -0.00 0.00 0.00 39.64 39.17 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 -1.38 -1.70 0.02 0.00 1.44 -0.80 -4.74 115.22 108.07 2a20 n HIS 96 Ca 0.07 0.25 -0.02 0.00 -2.01 0.00 0.00 57.72 56.01 2a20 n HIS 96 Cb 0.34 -2.08 -0.01 0.00 0.12 0.00 0.00 29.99 28.36 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 -3.17 0.07 -1.83 -1.40 4.81 -1.26 -4.77 118.16 110.61 2a20 n LYS 97 Ca -0.02 0.03 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 2a20 n LYS 97 Cb 0.53 -0.63 -0.03 0.00 0.02 0.00 0.00 35.03 34.92 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 -2.11 3.17 -0.22 3.15 2.01 -1.26 -4.84 115.64 115.54 2a20 s THR 98 Ca -0.04 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 2a20 s THR 98 Cb 0.01 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2a20 s THR 98 CO 0.06 -0.02 0.49 -0.54 -0.69 0.00 0.00 174.62 173.92 2a20 s LYS 99 N 3.91 4.15 1.10 4.92 1.02 -1.26 -2.31 119.74 131.26 2a20 s LYS 99 Ca 0.81 0.34 -0.17 0.00 0.02 0.00 0.00 55.97 56.96 2a20 s LYS 99 Cb -0.39 -3.59 0.16 0.00 -0.52 0.00 0.00 37.83 33.49 2a20 s LYS 99 CO 0.36 -0.19 0.20 1.19 -0.92 0.00 0.00 175.35 175.98 2a20 n PHE 100 N 4.97 -2.04 0.00 3.18 3.72 -1.10 -4.90 117.46 121.28 2a20 n PHE 100 Ca -0.05 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2a20 n PHE 100 Cb 0.50 -1.46 0.00 0.00 -0.94 0.00 0.00 39.48 37.59 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 -4.54 -0.13 0.00 4.37 0.00 -1.26 -4.66 120.51 114.28 2a20 n ALA 101 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2a20 n ALA 101 Cb 0.50 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2a20 n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a20 n ASP 102 N -1.96 2.54 0.21 0.00 -0.08 -1.26 -5.04 116.55 110.97 2a20 n ASP 102 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2a20 n ASP 102 Cb 0.00 0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.54 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a20 n GLY 103 N 2.50 -1.40 3.32 0.27 0.00 -1.26 -4.48 105.19 104.14 2a20 n GLY 103 Ca 0.00 0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.82 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 4.46 -0.40 3.56 0.00 0.00 -1.26 -4.81 105.19 106.73 2a20 n GLY 105 Ca 0.03 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 3.22 -0.12 1.61 3.76 -0.95 -4.98 115.29 117.82 2a20 s HIS 106 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 55.06 54.88 2a20 s HIS 106 Cb 0.00 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 2a20 s HIS 106 CO 0.00 -0.29 -0.02 -0.80 -0.85 0.00 0.00 174.74 172.78 2a20 s ASN 107 N 1.73 5.01 -0.03 1.40 0.02 -1.26 0.13 114.94 121.94 2a20 s ASN 107 Ca 0.08 -0.00 -0.34 0.00 -1.02 0.00 0.00 52.86 51.58 2a20 s ASN 107 Cb -0.17 -1.62 -0.12 0.00 0.02 0.00 0.00 41.25 39.36 2a20 s ASN 107 CO 0.11 0.26 1.84 0.00 0.02 0.00 0.00 177.10 179.33 2a20 h SER 109 N 8.78 0.00 0.00 0.00 0.87 0.12 0.25 113.55 123.56 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 -2.71 0.00 0.28 2.24 4.01 -1.26 -4.68 117.16 115.04 2a20 n TYR 110 Ca -0.02 0.00 0.17 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 40.07 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 -3.71 -0.08 -2.07 0.00 1.13 0.87 -4.95 117.38 108.57 2a20 n GLN 112 Ca -0.02 0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 2a20 n GLN 112 Cb 0.14 -3.03 0.00 0.00 0.11 0.00 0.00 30.24 27.47 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 -3.07 2.68 -0.37 5.09 2.01 -1.26 -4.35 115.64 116.36 2a20 s THR 113 Ca 0.00 0.56 -0.24 0.00 0.31 0.00 0.00 61.69 62.32 2a20 s THR 113 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.21 2a20 s THR 113 CO 0.00 0.05 0.83 -0.54 -0.69 0.00 0.00 174.62 174.26 2a20 s LYS 114 N -2.47 3.76 0.23 4.92 1.02 -1.26 0.21 119.74 126.15 2a20 s LYS 114 Ca 0.61 0.36 0.05 0.00 0.02 0.00 0.00 55.97 57.02 2a20 s LYS 114 Cb -0.36 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.08 2a20 s LYS 114 CO 0.45 -0.90 -0.06 -0.59 -0.92 0.00 0.00 175.35 173.33 2a20 s PHE 115 N 3.24 1.67 0.71 3.18 -0.12 0.35 0.13 117.98 127.13 2a20 s PHE 115 Ca 0.33 -0.77 -0.06 0.00 -0.05 0.00 0.00 56.93 56.38 2a20 s PHE 115 Cb -0.13 -0.92 0.07 0.00 -0.63 0.00 0.00 43.02 41.42 2a20 s PHE 115 CO 0.18 0.14 1.00 0.00 -0.05 0.00 0.00 175.22 176.49 2a20 n ALA 117 N -2.90 1.15 0.24 0.00 0.00 -1.26 -1.16 120.51 116.58 2a20 n ALA 117 Ca 0.09 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2a20 n ALA 117 Cb 0.60 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 2a20 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2a20 n ARG 118 N -2.26 0.50 -1.28 0.00 1.74 -1.26 -4.16 116.66 109.95 2a20 n ARG 118 Ca -0.01 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 2a20 n ARG 118 Cb 0.07 -1.65 0.13 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.19 -0.12 0.17 0.00 0.00 -1.21 -2.74 107.32 101.22 2a20 s GLY 120 Ca 0.55 0.03 0.04 0.00 0.00 0.00 0.00 44.72 45.34 2a20 s GLY 120 CO 0.03 5.32 -0.07 -0.32 0.00 0.00 0.00 173.10 178.06 2a20 s GLY 121 N -3.76 1.19 -0.05 0.20 0.00 0.66 -4.80 107.32 100.76 2a20 s GLY 121 Ca 0.29 -1.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.23 2a20 s GLY 121 CO -0.00 -1.60 0.64 0.50 0.00 0.00 0.00 173.10 172.63 2a20 s ARG 122 N -3.79 4.39 -0.09 2.90 0.52 -1.26 -2.10 118.95 119.52 2a20 s ARG 122 Ca 0.20 0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 56.18 2a20 s ARG 122 Cb 0.04 -3.41 0.03 0.00 0.52 0.00 0.00 34.95 32.12 2a20 s ARG 122 CO 0.03 0.18 -0.03 0.08 0.02 0.00 0.00 175.30 175.58 2a20 s VAL 123 N 0.44 0.64 -0.11 3.52 1.01 -0.68 -4.98 120.40 120.23 2a20 s VAL 123 Ca 0.34 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2a20 s VAL 123 Cb -0.18 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2a20 s VAL 123 CO 0.17 0.30 0.44 -0.94 0.00 0.00 0.00 175.10 175.07 2a20 s SER 124 N 1.86 6.66 0.20 3.32 1.04 -1.26 -2.70 113.70 122.81 2a20 s SER 124 Ca 0.05 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.19 2a20 s SER 124 Cb -0.12 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 2a20 s SER 124 CO -0.06 0.05 0.29 -0.76 0.98 0.00 0.00 173.24 173.74 2a20 s LEU 125 N 0.40 0.87 0.00 2.42 1.43 -1.16 -5.05 118.68 117.59 2a20 s LEU 125 Ca 0.24 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2a20 s LEU 125 Cb -0.15 1.11 0.00 0.00 0.03 0.00 0.00 46.19 47.18 2a20 s LEU 125 CO 0.10 -0.94 0.00 0.54 0.23 0.00 0.00 176.35 176.27 2a20 n ARG 126 N -0.27 -0.08 -0.28 1.70 1.74 -1.26 -1.67 116.66 116.53 2a20 n ARG 126 Ca -0.03 0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.14 2a20 n ARG 126 Cb 0.63 -0.10 0.14 0.00 -1.02 0.00 0.00 32.46 32.12 2a20 n ARG 126 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2a20 h SER 127 N -0.04 -0.62 0.00 0.55 4.64 -2.06 -3.38 113.55 112.64 2a20 h SER 127 Ca 0.00 0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 2a20 h SER 127 Cb 0.04 0.46 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2a20 h SER 127 CO 0.00 -0.26 -0.04 -0.46 -0.87 0.00 0.00 176.83 175.20 2a20 n ASN 128 N -5.48 -0.23 -4.79 4.97 6.94 -1.23 -5.15 115.26 110.30 2a20 n ASN 128 Ca 0.13 -1.13 -0.39 0.00 -0.02 0.00 0.00 54.58 53.17 2a20 n ASN 128 Cb 0.47 0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 2a20 n ASN 128 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2a20 s LYS 129 N 0.02 4.38 -0.18 -3.83 2.47 -0.67 -4.97 119.74 116.95 2a20 s LYS 129 Ca 0.01 0.95 -0.12 0.00 -1.56 0.00 0.00 55.97 55.24 2a20 s LYS 129 Cb 0.07 -3.24 -0.05 0.00 -1.46 0.00 0.00 37.83 33.15 2a20 s LYS 129 CO -0.02 0.60 0.24 0.08 0.16 0.00 0.00 175.35 176.41 2a20 s VAL 130 N -1.14 5.34 -0.00 4.02 1.01 -1.26 -2.97 120.40 125.40 2a20 s VAL 130 Ca 0.32 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2a20 s VAL 130 Cb -0.21 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2a20 s VAL 130 CO 0.23 0.39 -0.02 -0.04 0.00 0.00 0.00 175.10 175.66 2a20 s MET 131 N 0.54 0.14 -0.01 2.72 -1.94 -1.10 -5.05 119.30 114.61 2a20 s MET 131 Ca 0.13 -0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.07 2a20 s MET 131 Cb -0.12 -0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.55 2a20 s MET 131 CO 0.02 0.04 -0.01 -1.58 -0.01 0.00 0.00 175.02 173.47 2a20 s TRP 132 N -0.04 3.04 -0.09 -0.03 0.52 -1.26 -1.69 118.94 119.40 2a20 s TRP 132 Ca 0.01 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.19 2a20 s TRP 132 Cb -0.01 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.67 2a20 s TRP 132 CO -0.00 0.44 -0.08 0.08 0.02 0.00 0.00 176.95 177.41 2a20 s VAL 133 N -1.05 0.96 0.76 4.03 1.01 -0.89 0.16 120.40 125.37 2a20 s VAL 133 Ca 0.19 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 2a20 s VAL 133 Cb -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.35 2a20 s VAL 133 CO 0.09 0.34 1.07 0.00 0.00 0.00 0.00 175.10 176.60 2a20 h ASN 135 N -0.53 0.00 0.63 0.00 7.08 -1.82 0.22 115.58 121.16 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 0.46 0.00 -1.31 -0.07 -2.08 0.00 0.00 177.43 174.43 2a20 h LEU 136 N 0.00 0.33 0.00 6.14 3.38 -1.88 -3.06 115.31 120.23 2a20 h LEU 136 Ca 0.00 -0.39 -0.27 0.00 0.09 0.00 0.00 57.88 57.31 2a20 h LEU 136 Cb 0.33 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2a20 h LEU 136 CO 0.00 1.31 -1.47 0.00 0.09 0.00 0.00 178.44 178.37 2a20 h ARG 138 N 0.00 0.66 0.03 0.00 2.43 -0.77 -1.80 114.38 114.93 2a20 h ARG 138 Ca -0.19 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 58.67 2a20 h ARG 138 Cb 1.93 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 2a20 h ARG 138 CO 0.10 0.59 -1.02 -0.22 -1.51 0.00 0.00 179.97 177.91 2a20 h LYS 139 N 0.58 0.06 -0.24 0.20 1.63 -1.67 -3.06 116.57 114.07 2a20 h LYS 139 Ca 0.15 -0.10 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 2a20 h LYS 139 Cb 0.17 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2a20 h LYS 139 CO -0.01 1.05 0.34 0.37 -3.45 0.00 0.00 179.45 177.74 2a20 h GLN 140 N -0.82 0.00 -0.35 1.90 5.75 -1.49 0.39 115.11 120.49 2a20 h GLN 140 Ca -0.26 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 2a20 h GLN 140 Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.90 2a20 h GLN 140 CO -0.10 0.00 0.00 1.04 -2.65 0.00 0.00 178.83 177.12 2a20 n GLN 141 N -3.51 2.98 0.00 1.69 6.02 -0.67 -5.04 117.38 118.84 2a20 n GLN 141 Ca 0.03 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.61 2a20 n GLN 141 Cb 0.47 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14