#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 2.47 -0.46 -1.09 2.02 -1.26 -4.96 118.70 115.43 2a20 s GLU 84 Ca 0.00 -1.73 0.06 0.00 0.02 0.00 0.00 54.97 53.32 2a20 s GLU 84 Cb 0.00 -3.90 0.18 0.00 0.10 0.00 0.00 34.13 30.51 2a20 s GLU 84 CO 0.00 -1.16 0.60 -1.14 0.02 0.00 0.00 175.26 173.58 2a20 s GLN 85 N 1.36 0.93 0.00 1.61 0.74 -1.26 -4.95 119.66 118.09 2a20 s GLN 85 Ca 0.05 -1.00 0.00 0.00 0.05 0.00 0.00 55.36 54.47 2a20 s GLN 85 Cb -0.26 -0.31 0.00 0.00 1.10 0.00 0.00 33.01 33.54 2a20 s GLN 85 CO -0.01 -1.29 0.00 0.36 -0.55 0.00 0.00 175.29 173.81 2a20 n LYS 86 N 3.47 0.00 -3.63 1.67 2.85 -1.26 -5.15 118.16 116.10 2a20 n LYS 86 Ca 0.17 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.39 2a20 n LYS 86 Cb 0.53 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.86 2a20 n LYS 86 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2a20 s GLY 87 N -1.14 0.10 -0.22 2.58 0.00 -1.26 -5.14 107.32 102.24 2a20 s GLY 87 Ca 0.00 2.93 0.01 0.00 0.00 0.00 0.00 44.72 47.67 2a20 s GLY 87 CO 0.00 1.43 -0.11 0.99 0.00 0.00 0.00 173.10 175.42 2a20 s ASP 88 N -0.58 3.76 0.74 1.64 1.01 -1.26 -5.12 116.67 116.85 2a20 s ASP 88 Ca 0.06 -1.06 -0.11 0.00 0.71 0.00 0.00 52.55 52.15 2a20 s ASP 88 Cb -0.03 -1.34 0.04 0.00 1.01 0.00 0.00 42.92 42.60 2a20 s ASP 88 CO -0.09 -0.16 1.08 0.00 0.21 0.00 0.00 175.17 176.21 2a20 s ALA 89 N 1.30 2.43 0.06 5.23 0.00 -1.26 -5.02 121.76 124.51 2a20 s ALA 89 Ca -0.04 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 2a20 s ALA 89 Cb -0.17 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 2a20 s ALA 89 CO -0.07 -1.54 0.81 -1.25 0.00 0.00 0.00 175.76 173.71 2a20 s PRO 90 N -4.92 4.54 0.06 0.00 0.05 -1.26 -5.02 135.00 128.44 2a20 s PRO 90 Ca 0.60 1.15 0.02 0.00 0.05 0.00 0.00 61.00 62.82 2a20 s PRO 90 Cb -0.16 -3.36 -0.03 0.00 0.05 0.00 0.00 34.50 31.00 2a20 s PRO 90 CO 0.55 0.27 -0.07 0.95 0.05 0.00 0.00 177.00 178.76 2a20 s THR 91 N -0.06 0.52 0.22 1.26 -4.23 -1.26 -2.49 115.64 109.59 2a20 s THR 91 Ca 0.40 -1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 59.24 2a20 s THR 91 Cb -0.21 -0.96 -0.08 0.00 1.34 0.00 0.00 72.50 72.58 2a20 s THR 91 CO 0.25 -0.59 1.13 0.00 -0.54 0.00 0.00 174.62 174.86 2a20 n GLY 93 N 1.78 1.95 1.35 0.00 0.00 0.41 -2.04 105.19 108.64 2a20 n GLY 93 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.16 0.02 0.75 -0.61 -0.00 -1.26 -4.87 119.36 113.55 2a20 n ILE 94 Ca 0.08 0.01 0.12 0.00 -0.00 0.00 0.00 62.75 62.96 2a20 n ILE 94 Cb 0.52 -0.66 0.21 0.00 -0.00 0.00 0.00 39.64 39.72 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 -1.84 -1.64 0.03 0.00 8.25 -0.86 -4.80 115.22 114.35 2a20 n HIS 96 Ca 0.04 0.25 -0.01 0.00 -0.26 0.00 0.00 57.72 57.74 2a20 n HIS 96 Cb 0.40 -2.92 -0.00 0.00 1.12 0.00 0.00 29.99 28.58 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 -3.30 0.06 -1.79 -0.41 4.81 -1.26 -4.79 118.16 111.48 2a20 n LYS 97 Ca -0.08 0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 56.96 2a20 n LYS 97 Cb 0.58 -0.55 -0.03 0.00 0.02 0.00 0.00 35.03 35.05 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 -1.96 3.23 -0.16 3.15 2.01 -1.26 -4.82 115.64 115.82 2a20 s THR 98 Ca -0.03 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 2a20 s THR 98 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2a20 s THR 98 CO 0.05 -0.03 0.36 -0.54 -0.69 0.00 0.00 174.62 173.77 2a20 s LYS 99 N 4.37 4.25 0.75 4.92 1.02 -1.26 -2.10 119.74 131.69 2a20 s LYS 99 Ca 0.83 0.19 -0.13 0.00 0.02 0.00 0.00 55.97 56.88 2a20 s LYS 99 Cb -0.39 -3.46 0.19 0.00 -0.52 0.00 0.00 37.83 33.66 2a20 s LYS 99 CO 0.37 0.14 0.46 1.19 -0.92 0.00 0.00 175.35 176.59 2a20 n PHE 100 N 3.86 -3.00 -0.01 3.18 3.72 -1.04 -4.95 117.46 119.22 2a20 n PHE 100 Ca -0.10 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 2a20 n PHE 100 Cb 0.52 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 -4.43 0.00 -0.34 4.37 0.00 -1.26 -4.75 120.51 114.10 2a20 n ALA 101 Ca -0.10 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.68 2a20 n ALA 101 Cb 0.31 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.47 2a20 n ALA 101 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2a20 h ASP 102 N -0.01 0.09 0.00 0.00 3.32 -2.01 -3.41 116.42 114.39 2a20 h ASP 102 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2a20 h ASP 102 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2a20 h ASP 102 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2a20 n GLY 103 N -1.72 1.85 3.91 2.75 0.00 -1.26 -4.92 105.19 105.81 2a20 n GLY 103 Ca 0.27 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.05 0.61 3.62 0.00 0.00 -1.26 -4.46 105.19 103.64 2a20 n GLY 105 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 1.93 3.26 -0.10 1.61 3.76 -0.97 -4.98 115.29 119.82 2a20 s HIS 106 Ca 0.00 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 2a20 s HIS 106 Cb 0.00 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 2a20 s HIS 106 CO 0.00 -0.18 -0.10 -0.80 -0.85 0.00 0.00 174.74 172.81 2a20 s ASN 107 N 1.54 4.33 0.03 1.40 0.02 -1.26 0.78 114.94 121.78 2a20 s ASN 107 Ca 0.14 -0.17 -0.33 0.00 -1.02 0.00 0.00 52.86 51.48 2a20 s ASN 107 Cb -0.16 -1.33 -0.12 0.00 0.02 0.00 0.00 41.25 39.67 2a20 s ASN 107 CO 0.09 0.27 1.80 0.00 0.02 0.00 0.00 177.10 179.28 2a20 h SER 109 N 8.26 0.00 0.00 0.00 4.64 0.12 0.17 113.55 126.74 2a20 h SER 109 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2a20 h SER 109 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2a20 h SER 109 CO 0.93 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 175.67 2a20 n TYR 110 N -2.78 0.00 0.26 4.77 4.01 -1.26 -4.70 117.16 117.46 2a20 n TYR 110 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.87 2a20 n TYR 110 Cb 0.12 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 40.03 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 -0.24 -2.09 0.00 1.13 0.58 -4.94 117.38 107.97 2a20 n GLN 112 Ca -0.01 0.06 -0.39 0.00 -1.94 0.00 0.00 57.00 54.72 2a20 n GLN 112 Cb 0.18 -3.33 -0.00 0.00 0.11 0.00 0.00 30.24 27.19 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 -2.53 2.71 -0.41 5.09 2.01 -1.26 -4.41 115.64 116.85 2a20 s THR 113 Ca 0.00 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 2a20 s THR 113 Cb 0.00 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.20 2a20 s THR 113 CO 0.00 0.05 0.86 -0.54 -0.69 0.00 0.00 174.62 174.30 2a20 s LYS 114 N -2.44 3.65 0.25 4.92 1.02 -1.26 -0.55 119.74 125.32 2a20 s LYS 114 Ca 0.60 0.25 0.07 0.00 0.02 0.00 0.00 55.97 56.92 2a20 s LYS 114 Cb -0.35 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 2a20 s LYS 114 CO 0.44 -1.03 -0.10 -0.59 -0.92 0.00 0.00 175.35 173.16 2a20 s PHE 115 N 3.41 1.86 0.69 3.18 -0.12 0.23 0.15 117.98 127.39 2a20 s PHE 115 Ca 0.34 -0.64 -0.05 0.00 -0.05 0.00 0.00 56.93 56.53 2a20 s PHE 115 Cb -0.12 -0.98 0.07 0.00 -0.63 0.00 0.00 43.02 41.36 2a20 s PHE 115 CO 0.21 0.32 0.98 0.00 -0.05 0.00 0.00 175.22 176.68 2a20 h ALA 117 N -0.51 1.02 0.00 0.00 0.00 -1.94 0.08 119.26 117.91 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 0.55 -0.02 -1.25 0.54 0.00 0.00 0.00 179.25 179.07 2a20 n ARG 118 N -2.54 0.46 -0.93 0.00 5.12 -1.26 -4.12 116.66 113.39 2a20 n ARG 118 Ca -0.02 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.79 2a20 n ARG 118 Cb 0.07 -1.64 0.20 0.00 -1.16 0.00 0.00 32.46 29.92 2a20 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a20 n GLY 120 N -1.09 0.40 3.35 0.00 0.00 -1.13 -2.98 105.19 103.74 2a20 n GLY 120 Ca 0.41 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 1.88 -0.03 -0.02 0.00 -0.08 -4.75 107.32 104.32 2a20 s GLY 121 Ca 0.00 -1.84 -0.22 0.00 0.00 0.00 0.00 44.72 42.66 2a20 s GLY 121 CO 0.00 -1.64 0.63 -1.60 0.00 0.00 0.00 173.10 170.49 2a20 s ARG 122 N -3.96 4.37 -0.18 2.90 3.52 -1.26 -1.11 118.95 123.23 2a20 s ARG 122 Ca 0.37 0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 56.71 2a20 s ARG 122 Cb 0.07 -3.39 0.06 0.00 -1.56 0.00 0.00 34.95 30.13 2a20 s ARG 122 CO 0.15 0.24 0.03 0.08 -0.81 0.00 0.00 175.30 174.99 2a20 s VAL 123 N 0.23 0.48 -0.01 7.11 1.01 0.07 -4.92 120.40 124.38 2a20 s VAL 123 Ca 0.33 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 2a20 s VAL 123 Cb -0.18 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2a20 s VAL 123 CO 0.17 -0.17 0.43 -0.55 0.00 0.00 0.00 175.10 174.98 2a20 s SER 124 N 1.88 6.82 -0.57 3.32 0.15 -1.26 -2.80 113.70 121.23 2a20 s SER 124 Ca -0.00 0.97 -0.03 0.00 0.70 0.00 0.00 55.95 57.59 2a20 s SER 124 Cb -0.17 -2.26 0.19 0.00 -1.71 0.00 0.00 66.02 62.07 2a20 s SER 124 CO -0.08 0.29 2.43 0.18 1.20 0.00 0.00 173.24 177.26 2a20 n LEU 125 N 2.00 6.88 0.00 3.45 4.77 -1.14 -4.88 117.00 128.06 2a20 n LEU 125 Ca -0.13 -4.23 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 2a20 n LEU 125 Cb 0.52 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2a20 n LEU 125 CO 0.38 1.67 0.00 -1.14 -1.33 0.00 0.00 177.39 176.97 2a20 n ARG 126 N 0.28 0.00 0.00 3.23 0.63 -1.26 -4.79 116.66 114.75 2a20 n ARG 126 Ca 0.50 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 2a20 n ARG 126 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 2a20 n ARG 126 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2a20 n SER 127 N 1.85 0.00 -1.48 6.15 3.41 -1.26 -4.85 113.62 117.44 2a20 n SER 127 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2a20 n SER 127 Cb 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.00 3.85 -4.53 4.04 4.13 -1.26 -4.86 115.26 116.62 2a20 n ASN 128 Ca 0.00 -2.70 -0.43 0.00 1.68 0.00 0.00 54.58 53.13 2a20 n ASN 128 Cb 0.00 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 37.55 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 -2.10 3.39 -0.31 3.52 -0.14 -1.26 -5.01 119.74 117.83 2a20 s LYS 129 Ca 0.35 -0.14 -0.17 0.00 -1.36 0.00 0.00 55.97 54.65 2a20 s LYS 129 Cb 0.27 -4.00 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 2a20 s LYS 129 CO 0.09 -1.36 0.45 0.08 -0.76 0.00 0.00 175.35 173.85 2a20 s VAL 130 N 3.79 5.09 0.00 3.17 1.01 -1.26 -2.90 120.40 129.30 2a20 s VAL 130 Ca 0.32 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2a20 s VAL 130 Cb -0.12 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2a20 s VAL 130 CO 0.21 -0.05 -0.03 -0.04 0.00 0.00 0.00 175.10 175.20 2a20 s MET 131 N 2.23 0.25 -0.08 2.72 -1.94 -1.12 -5.05 119.30 116.32 2a20 s MET 131 Ca 0.17 -0.18 -0.05 0.00 -1.71 0.00 0.00 55.69 53.92 2a20 s MET 131 Cb -0.16 -0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.44 2a20 s MET 131 CO 0.11 0.05 0.15 -1.58 -0.01 0.00 0.00 175.02 173.75 2a20 s TRP 132 N -0.24 3.57 -0.11 -0.03 0.52 -1.26 -0.75 118.94 120.64 2a20 s TRP 132 Ca -0.01 0.45 0.02 0.00 0.02 0.00 0.00 56.10 56.58 2a20 s TRP 132 Cb -0.02 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2a20 s TRP 132 CO -0.00 0.70 -0.16 0.08 0.02 0.00 0.00 176.95 177.59 2a20 s VAL 133 N -1.14 1.53 0.78 4.03 1.01 -0.27 0.16 120.40 126.50 2a20 s VAL 133 Ca 0.20 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 2a20 s VAL 133 Cb -0.12 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.94 2a20 s VAL 133 CO 0.10 0.45 1.22 0.00 0.00 0.00 0.00 175.10 176.87 2a20 h ASN 135 N -0.68 0.00 0.68 0.00 4.21 -1.87 0.63 115.58 118.54 2a20 h ASN 135 Ca -0.47 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 56.77 2a20 h ASN 135 Cb 1.30 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.49 2a20 h ASN 135 CO 0.47 0.00 -1.29 -0.07 -1.29 0.00 0.00 177.43 175.25 2a20 h LEU 136 N 0.00 0.25 0.08 1.61 3.38 -1.88 -2.96 115.31 115.79 2a20 h LEU 136 Ca 0.00 -0.30 -0.33 0.00 0.09 0.00 0.00 57.88 57.34 2a20 h LEU 136 Cb 0.54 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2a20 h LEU 136 CO 0.00 1.24 -1.84 0.00 0.09 0.00 0.00 178.44 177.94 2a20 h ARG 138 N 0.05 0.73 0.04 0.00 2.43 -0.04 0.34 114.38 117.94 2a20 h ARG 138 Ca -0.35 -0.13 -0.32 0.00 -0.81 0.00 0.00 59.98 58.37 2a20 h ARG 138 Cb 2.03 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.42 2a20 h ARG 138 CO 0.09 0.65 -1.81 1.63 -1.51 0.00 0.00 179.97 179.03 2a20 n LYS 139 N -4.30 0.68 0.17 0.20 5.02 -1.12 -3.62 118.16 115.18 2a20 n LYS 139 Ca 0.03 0.29 0.05 0.00 -2.02 0.00 0.00 58.31 56.66 2a20 n LYS 139 Cb 0.20 -1.76 0.25 0.00 -0.02 0.00 0.00 35.03 33.70 2a20 n LYS 139 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2a20 h GLN 140 N 0.02 0.00 -0.00 1.97 -0.00 -1.30 -2.93 115.11 112.88 2a20 h GLN 140 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2a20 h GLN 140 Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.50 2a20 h GLN 140 CO 0.08 0.42 -0.24 0.94 0.00 0.00 0.00 178.83 180.03 2a20 n GLN 141 N -3.45 0.10 0.00 1.69 7.27 0.12 -5.04 117.38 118.07 2a20 n GLN 141 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.04 2a20 n GLN 141 Cb 0.57 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.72 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22