#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ard s SER 103 N 0.00 -0.17 0.04 2.89 0.01 -1.26 -5.13 113.70 110.08 1ard s SER 103 Ca 0.00 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1ard s SER 103 Cb 0.00 0.21 -0.08 0.00 0.21 0.00 0.00 66.02 66.36 1ard s SER 103 CO 0.00 -0.12 1.74 -0.36 0.41 0.00 0.00 173.24 174.91 1ard s PHE 104 N -0.68 2.06 -0.09 2.43 0.08 -1.26 -4.91 117.98 115.62 1ard s PHE 104 Ca 0.05 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.20 1ard s PHE 104 Cb -0.02 -4.04 0.02 0.00 -0.57 0.00 0.00 43.02 38.40 1ard s PHE 104 CO -0.07 -4.35 -0.13 0.08 -0.10 0.00 0.00 175.22 170.65 1ard s VAL 105 N 3.31 1.26 -0.67 -0.44 1.01 -1.26 -1.34 120.40 122.28 1ard s VAL 105 Ca 0.78 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1ard s VAL 105 Cb -0.40 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 1ard s VAL 105 CO 0.34 0.39 2.42 0.00 0.00 0.00 0.00 175.10 178.25 1ard h GLU 107 N 15.62 0.00 0.00 0.00 4.11 -1.92 11.97 114.58 144.36 1ard h GLU 107 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1ard h GLU 107 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ard h GLU 107 CO 1.08 0.00 0.00 0.28 0.07 0.00 0.00 179.01 180.44 1ard n VAL 108 N -2.46 0.00 0.09 -1.06 0.31 -1.26 -4.37 118.33 109.58 1ard n VAL 108 Ca -0.01 0.63 0.06 0.00 -0.01 0.00 0.00 64.34 65.02 1ard n VAL 108 Cb 0.64 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 32.06 1ard n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ard n THR 110 N -2.84 0.00 -3.13 0.00 -2.24 3.74 -4.96 114.28 104.85 1ard n THR 110 Ca -0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1ard n THR 110 Cb 0.68 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 1ard n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ard s ARG 111 N -3.84 4.27 0.01 -0.78 0.52 -1.19 -4.54 118.95 113.40 1ard s ARG 111 Ca 0.00 0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 55.70 1ard s ARG 111 Cb 0.00 -3.54 -0.06 0.00 0.52 0.00 0.00 34.95 31.87 1ard s ARG 111 CO 0.00 -0.14 0.42 0.00 0.02 0.00 0.00 175.30 175.60 1ard s ALA 112 N 1.56 3.69 0.25 2.13 0.00 -1.26 0.57 121.76 128.71 1ard s ALA 112 Ca 0.30 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1ard s ALA 112 Cb -0.16 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1ard s ALA 112 CO 0.12 0.49 0.01 -0.06 0.00 0.00 0.00 175.76 176.32 1ard s PHE 113 N -1.11 1.62 -0.58 0.00 0.08 -0.45 -4.99 117.98 112.54 1ard s PHE 113 Ca 0.25 -0.95 0.24 0.00 0.12 0.00 0.00 56.93 56.58 1ard s PHE 113 Cb -0.17 -0.96 0.26 0.00 -0.57 0.00 0.00 43.02 41.59 1ard s PHE 113 CO 0.14 -0.06 1.25 0.00 -0.10 0.00 0.00 175.22 176.45 1ard h ALA 114 N 2.41 0.53 -3.00 5.36 0.00 -1.98 -3.37 119.26 119.21 1ard h ALA 114 Ca -0.39 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 1ard h ALA 114 Cb 1.23 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 1ard h ALA 114 CO 0.65 0.00 -0.73 1.03 0.00 0.00 0.00 179.25 180.20 1ard s ARG 115 N -3.20 0.61 0.05 0.00 1.81 -1.26 -5.05 118.95 111.91 1ard s ARG 115 Ca 0.05 -0.88 -0.20 0.00 -1.72 0.00 0.00 55.73 52.97 1ard s ARG 115 Cb 0.13 -0.31 -0.13 0.00 -0.45 0.00 0.00 34.95 34.19 1ard s ARG 115 CO 0.74 0.05 1.39 1.96 -0.68 0.00 0.00 175.30 178.76 1ard h GLN 116 N 4.18 0.34 -0.88 3.54 1.08 -1.98 -3.09 115.11 118.31 1ard h GLN 116 Ca -0.36 -0.16 0.24 0.00 -1.45 0.00 0.00 58.65 56.92 1ard h GLN 116 Cb 1.19 -0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 28.47 1ard h GLN 116 CO 0.45 0.67 0.17 0.93 -0.95 0.00 0.00 178.83 180.10 1ard h GLU 117 N 0.01 0.14 -0.69 1.46 4.39 -1.97 0.94 114.58 118.85 1ard h GLU 117 Ca 0.03 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.83 1ard h GLU 117 Cb 0.58 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 1ard h GLU 117 CO 0.03 0.09 0.31 0.45 -1.16 0.00 0.00 179.01 178.73 1ard h HIS 118 N 0.14 0.54 0.45 4.33 3.86 -1.95 1.27 115.15 123.79 1ard h HIS 118 Ca 0.55 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.77 1ard h HIS 118 Cb 1.11 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1ard h HIS 118 CO -0.33 0.15 -0.22 1.25 0.86 0.00 0.00 177.93 179.65 1ard h LEU 119 N 0.51 -0.51 -0.42 2.43 5.85 0.70 0.30 115.31 124.17 1ard h LEU 119 Ca 0.35 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.16 1ard h LEU 119 Cb 0.43 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 1ard h LEU 119 CO -0.31 -0.22 -0.43 0.11 -0.34 0.00 0.00 178.44 177.24 1ard h LYS 120 N -0.89 -0.31 -0.73 1.25 1.79 -0.36 0.80 116.57 118.12 1ard h LYS 120 Ca -0.06 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1ard h LYS 120 Cb 0.46 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1ard h LYS 120 CO 0.10 -0.21 0.48 -0.09 -1.08 0.00 0.00 179.45 178.66 1ard h ARG 121 N -0.32 0.72 -0.27 3.15 1.12 0.15 -1.43 114.38 117.51 1ard h ARG 121 Ca 0.14 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 1ard h ARG 121 Cb 0.58 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 1ard h ARG 121 CO -0.59 0.48 0.08 1.25 -3.11 0.00 0.00 179.97 178.08 1ard h HIS 122 N 0.74 0.43 -0.12 2.20 2.76 0.37 -2.08 115.15 119.45 1ard h HIS 122 Ca 0.32 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.48 1ard h HIS 122 Cb 0.29 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1ard h HIS 122 CO -0.00 0.47 0.73 -0.92 -1.30 0.00 0.00 177.93 176.91 1ard h TYR 123 N 0.27 0.00 0.00 5.26 5.03 0.15 0.28 116.97 127.96 1ard h TYR 123 Ca 0.09 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1ard h TYR 123 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1ard h TYR 123 CO 0.00 0.00 0.09 2.89 -1.32 0.00 0.00 178.16 179.82 1ard n ARG 124 N -2.80 0.00 -0.28 1.82 0.00 -0.78 0.21 116.66 114.83 1ard n ARG 124 Ca 0.02 0.25 0.08 0.00 -0.00 0.00 0.00 57.85 58.20 1ard n ARG 124 Cb 0.79 -1.59 0.19 0.00 -0.00 0.00 0.00 32.46 31.86 1ard n ARG 124 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1ard n SER 125 N -1.21 3.24 0.00 2.89 3.41 0.99 -2.96 113.62 119.98 1ard n SER 125 Ca 0.00 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 1ard n SER 125 Cb 0.09 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1ard n SER 125 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ard n HIS 126 N -0.47 0.00 -0.03 7.33 8.25 0.58 -4.76 115.22 126.11 1ard n HIS 126 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1ard n HIS 126 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1ard n HIS 126 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1ard n THR 127 N -0.27 0.00 0.00 1.59 5.66 -1.12 -5.04 114.28 115.11 1ard n THR 127 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ard n THR 127 Cb 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1ard n THR 127 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ard n ASN 128 N 0.00 0.00 -4.76 1.09 3.02 -1.26 -4.19 115.26 109.16 1ard n ASN 128 Ca 0.00 0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 1ard n ASN 128 Cb 0.00 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1ard n ASN 128 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ard s GLU 129 N -1.70 2.82 0.00 3.52 0.41 -1.16 -5.03 118.70 117.56 1ard s GLU 129 Ca 0.00 1.64 0.22 0.00 -0.41 0.00 0.00 54.97 56.41 1ard s GLU 129 Cb 0.00 -1.93 0.17 0.00 -1.78 0.00 0.00 34.13 30.59 1ard s GLU 129 CO 0.00 -1.28 1.18 0.36 -0.49 0.00 0.00 175.26 175.03