#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3f n SER 90 N -4.56 0.00 -0.01 0.00 7.64 -1.26 0.16 113.62 115.59 2p3f n SER 90 Ca -0.04 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.84 2p3f n SER 90 Cb 0.30 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2p3f n SER 90 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2p3f h LEU 91 N 0.00 -0.01 -5.04 -3.43 7.12 -2.00 -3.43 115.31 108.53 2p3f h LEU 91 Ca 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.66 2p3f h LEU 91 Cb 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 40.66 39.74 2p3f h LEU 91 CO 0.00 0.12 -1.17 0.47 -0.13 0.00 0.00 178.44 177.73 2p3f n ASP 92 N -2.76 1.38 -1.07 1.25 8.00 -1.08 -4.80 116.55 117.46 2p3f n ASP 92 Ca -0.00 -2.65 -0.11 0.00 0.71 0.00 0.00 54.79 52.74 2p3f n ASP 92 Cb 0.00 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 2p3f n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2p3f n ASN 93 N -0.12 -4.07 -3.66 -2.24 5.15 0.12 -0.59 115.26 109.86 2p3f n ASN 93 Ca 0.09 0.15 -0.24 0.00 -0.60 0.00 0.00 54.58 53.97 2p3f n ASN 93 Cb 0.82 -2.91 0.07 0.00 -0.53 0.00 0.00 39.78 37.23 2p3f n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2p3f n GLY 94 N -1.32 -0.49 2.39 8.20 0.00 0.42 -1.27 105.19 113.12 2p3f n GLY 94 Ca -0.12 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2p3f n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p3f n ASP 95 N -2.99 -2.22 -4.75 1.61 8.00 0.25 -4.89 116.55 111.56 2p3f n ASP 95 Ca -0.04 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.05 2p3f n ASP 95 Cb 0.57 -1.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 2p3f n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p3f h ASP 97 N 4.46 0.06 0.00 0.00 3.32 -1.76 -3.46 116.42 119.05 2p3f h ASP 97 Ca -0.46 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2p3f h ASP 97 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2p3f h ASP 97 CO 0.71 0.77 0.00 0.00 -1.72 0.00 0.00 179.24 179.01 2p3f n GLN 98 N -3.69 0.00 -1.56 3.56 6.02 -1.26 -5.04 117.38 115.41 2p3f n GLN 98 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 2p3f n GLN 98 Cb 0.71 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.93 2p3f n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2p3f n PHE 99 N 0.00 1.69 -3.70 1.08 3.72 -1.12 -4.84 117.46 114.28 2p3f n PHE 99 Ca 0.00 0.03 -0.35 0.00 -0.05 0.00 0.00 57.45 57.08 2p3f n PHE 99 Cb 0.00 -2.66 -0.05 0.00 -0.94 0.00 0.00 39.48 35.83 2p3f n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2p3f s HIS 101 N -1.25 0.62 -0.10 0.00 3.76 -1.00 -4.95 115.29 112.36 2p3f s HIS 101 Ca 0.26 -0.97 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2p3f s HIS 101 Cb -0.14 0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.74 2p3f s HIS 101 CO 0.15 -1.14 -0.18 -1.21 -0.85 0.00 0.00 174.74 171.50 2p3f s GLU 102 N -3.35 2.43 -0.13 1.40 2.02 -1.26 0.78 118.70 120.59 2p3f s GLU 102 Ca 0.25 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.59 2p3f s GLU 102 Cb -0.01 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.29 2p3f s GLU 102 CO 0.14 0.04 -0.13 -2.00 0.02 0.00 0.00 175.26 173.33 2p3f s GLU 103 N 0.68 2.13 -0.93 1.61 2.56 0.74 -4.81 118.70 120.69 2p3f s GLU 103 Ca -0.13 -0.50 -0.17 0.00 0.00 0.00 0.00 54.97 54.18 2p3f s GLU 103 Cb -0.16 -1.94 0.02 0.00 2.00 0.00 0.00 34.13 34.05 2p3f s GLU 103 CO 0.03 -0.19 0.58 1.04 -0.56 0.00 0.00 175.26 176.16 2p3f n GLN 104 N 4.62 -0.82 -2.77 4.30 6.02 -1.26 0.13 117.38 127.60 2p3f n GLN 104 Ca -0.17 0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 56.97 2p3f n GLN 104 Cb 0.50 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2p3f n GLN 104 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2p3f n ASN 105 N -2.08 -4.33 -3.84 1.08 3.02 -1.26 -4.94 115.26 102.91 2p3f n ASN 105 Ca -0.20 -0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.14 2p3f n ASN 105 Cb 0.57 -3.61 -0.16 0.00 -0.61 0.00 0.00 39.78 35.96 2p3f n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2p3f s SER 106 N -2.31 0.45 0.38 6.41 0.15 0.34 -4.53 113.70 114.58 2p3f s SER 106 Ca 0.15 -0.04 -0.26 0.00 0.70 0.00 0.00 55.95 56.51 2p3f s SER 106 Cb -0.08 -0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 2p3f s SER 106 CO 0.19 -0.08 1.15 0.54 1.20 0.00 0.00 173.24 176.24 2p3f s VAL 107 N 0.89 3.23 -0.12 4.45 0.11 -1.25 0.26 120.40 127.98 2p3f s VAL 107 Ca -0.09 1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.99 2p3f s VAL 107 Cb -0.12 -3.60 0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2p3f s VAL 107 CO -0.01 0.12 0.02 0.68 -3.33 0.00 0.00 175.10 172.58 2p3f s VAL 108 N -1.40 0.38 0.88 2.04 -7.23 0.23 -4.79 120.40 110.51 2p3f s VAL 108 Ca 0.55 -0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.46 2p3f s VAL 108 Cb -0.30 -0.71 0.12 0.00 0.56 0.00 0.00 36.38 36.05 2p3f s VAL 108 CO 0.38 0.04 1.11 0.00 -0.31 0.00 0.00 175.10 176.32 2p3f s SER 110 N -3.78 0.02 0.25 0.00 1.04 -0.38 -4.94 113.70 105.91 2p3f s SER 110 Ca 0.63 -0.99 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 2p3f s SER 110 Cb -0.16 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2p3f s SER 110 CO 0.55 -1.43 0.36 0.00 0.98 0.00 0.00 173.24 173.69 2p3f s ALA 112 N -3.90 2.84 0.26 0.00 0.00 -1.26 -4.94 121.76 114.77 2p3f s ALA 112 Ca 0.30 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 2p3f s ALA 112 Cb 0.02 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 2p3f s ALA 112 CO 0.12 -0.53 0.78 0.54 0.00 0.00 0.00 175.76 176.67 2p3f n ARG 113 N -1.56 0.77 0.00 0.00 1.74 -1.26 -2.27 116.66 114.08 2p3f n ARG 113 Ca 0.09 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2p3f n ARG 113 Cb 0.53 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2p3f n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p3f n GLY 114 N 1.56 2.43 3.92 -0.13 0.00 -1.26 -4.56 105.19 107.15 2p3f n GLY 114 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2p3f n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p3f s TYR 115 N -2.37 2.19 -0.18 1.61 2.02 -0.96 0.19 117.35 119.85 2p3f s TYR 115 Ca 0.00 -0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 55.84 2p3f s TYR 115 Cb 0.00 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.51 2p3f s TYR 115 CO 0.00 -0.41 0.62 -0.08 -1.57 0.00 0.00 175.55 174.11 2p3f s THR 116 N -2.59 0.00 -0.16 -0.71 -1.32 0.15 -4.67 115.64 106.35 2p3f s THR 116 Ca 0.47 -0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.62 2p3f s THR 116 Cb -0.04 -0.89 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 2p3f s THR 116 CO 0.28 -0.02 1.30 -0.22 -2.21 0.00 0.00 174.62 173.76 2p3f s LEU 117 N -0.09 4.18 1.00 9.08 0.20 -1.26 0.16 118.68 131.94 2p3f s LEU 117 Ca -0.03 1.72 -0.18 0.00 0.69 0.00 0.00 54.13 56.33 2p3f s LEU 117 Cb -0.04 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.13 2p3f s LEU 117 CO 0.03 -0.80 -0.44 0.00 -0.29 0.00 0.00 176.35 174.85 2p3f n ALA 118 N 6.73 -4.47 -0.15 5.97 0.00 0.03 -4.71 120.51 123.91 2p3f n ALA 118 Ca 0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 53.44 52.70 2p3f n ALA 118 Cb 0.45 -1.34 0.25 0.00 0.00 0.00 0.00 19.45 18.80 2p3f n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2p3f h ASP 119 N -1.34 0.77 0.00 0.00 3.45 -1.94 -1.19 116.42 116.17 2p3f h ASP 119 Ca -0.44 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 56.95 2p3f h ASP 119 Cb 1.32 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2p3f h ASP 119 CO 0.28 0.64 0.00 -0.46 -1.57 0.00 0.00 179.24 178.14 2p3f n ASN 120 N -4.37 0.00 0.00 6.45 6.94 -1.26 -4.78 115.26 118.24 2p3f n ASN 120 Ca 0.06 0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.73 2p3f n ASN 120 Cb 0.12 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2p3f n ASN 120 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p3f n GLY 121 N -1.10 0.17 0.45 4.83 0.00 -0.45 -4.72 105.19 104.36 2p3f n GLY 121 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2p3f n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p3f n LYS 122 N -1.02 0.36 -2.27 1.61 4.76 -1.26 -3.93 118.16 116.40 2p3f n LYS 122 Ca 0.00 0.15 -0.27 0.00 -2.87 0.00 0.00 58.31 55.32 2p3f n LYS 122 Cb 0.18 -1.11 0.14 0.00 -1.84 0.00 0.00 35.03 32.40 2p3f n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2p3f s ALA 123 N -2.45 3.01 -0.10 7.82 0.00 -1.26 -2.23 121.76 126.56 2p3f s ALA 123 Ca -0.22 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.29 2p3f s ALA 123 Cb 0.06 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2p3f s ALA 123 CO 0.29 -1.92 -0.15 0.00 0.00 0.00 0.00 175.76 173.99 2p3f s ILE 125 N 0.87 5.06 0.15 0.00 -1.09 0.12 -4.84 121.20 121.47 2p3f s ILE 125 Ca -0.09 0.08 -0.31 0.00 -2.23 0.00 0.00 60.65 58.10 2p3f s ILE 125 Cb -0.15 -3.40 -0.11 0.00 -1.58 0.00 0.00 42.46 37.22 2p3f s ILE 125 CO 0.01 0.28 1.75 -2.84 -1.23 0.00 0.00 174.94 172.90 2p3f s PRO 126 N 1.69 4.15 -0.50 2.79 0.02 -1.26 -0.67 135.00 141.22 2p3f s PRO 126 Ca 0.07 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.65 2p3f s PRO 126 Cb -0.16 -3.40 0.56 0.00 0.02 0.00 0.00 34.50 31.53 2p3f s PRO 126 CO 0.09 -0.78 1.93 0.25 -0.33 0.00 0.00 177.00 178.16 2p3f n THR 127 N 4.44 3.24 -3.56 0.99 -2.24 0.51 -4.90 114.28 112.77 2p3f n THR 127 Ca 0.17 -2.15 -0.07 0.00 -2.27 0.00 0.00 64.05 59.73 2p3f n THR 127 Cb 0.38 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 2p3f n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2p3f s GLY 128 N -1.32 -0.42 0.46 3.38 0.00 -1.23 -4.96 107.32 103.23 2p3f s GLY 128 Ca 0.56 0.82 0.29 0.00 0.00 0.00 0.00 44.72 46.39 2p3f s GLY 128 CO 0.07 0.26 1.82 -0.56 0.00 0.00 0.00 173.10 174.69 2p3f h PRO 129 N 2.00 0.00 -2.14 2.90 0.13 -1.94 -3.34 132.00 129.61 2p3f h PRO 129 Ca -0.23 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.33 2p3f h PRO 129 Cb 1.24 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 2p3f h PRO 129 CO 0.30 0.00 -1.03 0.66 -0.23 0.00 0.00 178.00 177.70 2p3f n TYR 130 N -2.94 -0.20 -2.49 1.56 4.02 -1.26 -5.10 117.16 110.74 2p3f n TYR 130 Ca 0.02 -3.54 -0.39 0.00 -0.01 0.00 0.00 57.90 53.98 2p3f n TYR 130 Cb 0.38 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 2p3f n TYR 130 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2p3f s PRO 131 N -0.93 4.43 0.48 -0.72 0.04 -1.26 -4.97 135.00 132.08 2p3f s PRO 131 Ca 0.35 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 2p3f s PRO 131 Cb 0.13 -2.92 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 2p3f s PRO 131 CO -0.13 0.06 1.32 0.00 0.04 0.00 0.00 177.00 178.29 2p3f n GLY 133 N 0.63 2.01 3.74 0.00 0.00 -1.26 -5.03 105.19 105.29 2p3f n GLY 133 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2p3f n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p3f s LYS 134 N -0.85 3.55 0.91 1.61 3.01 -1.22 -5.08 119.74 121.68 2p3f s LYS 134 Ca 0.00 -0.27 -0.13 0.00 -1.01 0.00 0.00 55.97 54.56 2p3f s LYS 134 Cb 0.00 -3.11 0.14 0.00 -1.01 0.00 0.00 37.83 33.84 2p3f s LYS 134 CO 0.00 0.57 1.15 -0.65 0.51 0.00 0.00 175.35 176.93 2p3f s GLN 135 N -0.45 1.12 0.55 1.68 -0.21 -1.26 -4.91 119.66 116.18 2p3f s GLN 135 Ca 0.10 0.22 0.09 0.00 0.02 0.00 0.00 55.36 55.79 2p3f s GLN 135 Cb -0.12 -1.84 0.07 0.00 1.00 0.00 0.00 33.01 32.11 2p3f s GLN 135 CO 0.02 -2.20 0.68 0.95 -2.12 0.00 0.00 175.29 172.63 2p3f s THR 136 N -3.33 2.16 0.00 -0.19 -4.23 -1.26 -4.32 115.64 104.47 2p3f s THR 136 Ca 0.64 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2p3f s THR 136 Cb -0.14 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2p3f s THR 136 CO 0.53 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.50 2p3f n LEU 137 N -2.09 0.00 0.00 4.79 7.94 -1.26 -5.30 117.00 121.08 2p3f n LEU 137 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2p3f n LEU 137 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 2p3f n LEU 137 CO 0.40 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 174.84