#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lob s THR 2 N 0.00 2.85 0.05 2.62 2.01 -1.26 -5.11 115.64 116.80 1lob s THR 2 Ca 0.00 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1lob s THR 2 Cb 0.00 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1lob s THR 2 CO 0.00 0.52 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.95 1lob s SER 3 N 0.61 0.65 -0.03 3.53 0.01 -1.26 -5.16 113.70 112.06 1lob s SER 3 Ca -0.08 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.46 1lob s SER 3 Cb -0.16 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1lob s SER 3 CO 0.03 -0.36 0.05 -0.31 0.41 0.00 0.00 173.24 173.05 1lob s TYR 4 N -2.35 0.01 0.03 2.43 2.02 -1.26 -5.16 117.35 113.08 1lob s TYR 4 Ca -0.04 0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.91 1lob s TYR 4 Cb -0.03 -0.27 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 1lob s TYR 4 CO -0.03 -0.12 -0.18 0.99 -1.57 0.00 0.00 175.55 174.64 1lob s THR 5 N 1.32 1.42 -0.02 -0.71 2.01 -1.26 -5.14 115.64 113.26 1lob s THR 5 Ca -0.06 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 1lob s THR 5 Cb -0.13 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1lob s THR 5 CO -0.03 0.19 0.03 -0.22 -0.69 0.00 0.00 174.62 173.89 1lob s LEU 6 N -0.98 1.24 0.07 4.42 2.96 -1.26 -5.16 118.68 119.98 1lob s LEU 6 Ca 0.05 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.09 1lob s LEU 6 Cb -0.08 -0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.52 1lob s LEU 6 CO 0.01 -0.11 -0.22 0.20 -1.32 0.00 0.00 176.35 174.92 1lob s ASN 7 N 0.88 3.55 -0.25 3.68 -0.87 -1.26 -5.15 114.94 115.52 1lob s ASN 7 Ca -0.07 -0.55 -0.26 0.00 -1.57 0.00 0.00 52.86 50.41 1lob s ASN 7 Cb -0.11 -0.44 0.08 0.00 -0.02 0.00 0.00 41.25 40.76 1lob s ASN 7 CO -0.02 0.23 0.75 -0.70 -2.57 0.00 0.00 177.10 174.79 1lob s GLU 8 N -1.61 0.82 -0.24 -0.60 2.56 -1.26 -5.12 118.70 113.25 1lob s GLU 8 Ca 0.14 0.88 -0.26 0.00 0.00 0.00 0.00 54.97 55.74 1lob s GLU 8 Cb -0.10 0.40 -0.00 0.00 2.00 0.00 0.00 34.13 36.43 1lob s GLU 8 CO 0.05 -0.12 0.88 0.08 -0.56 0.00 0.00 175.26 175.60 1lob s VAL 9 N 0.21 4.80 -0.34 3.70 1.01 -1.26 -5.00 120.40 123.51 1lob s VAL 9 Ca -0.01 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 1lob s VAL 9 Cb -0.05 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.28 1lob s VAL 9 CO 0.01 -0.10 0.14 -0.69 0.00 0.00 0.00 175.10 174.46 1lob s VAL 10 N 2.94 0.80 -0.96 2.92 1.01 -1.26 -5.06 120.40 120.78 1lob s VAL 10 Ca 0.37 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.49 1lob s VAL 10 Cb -0.15 -1.60 -0.18 0.00 0.00 0.00 0.00 36.38 34.45 1lob s VAL 10 CO 0.07 -0.77 1.95 -0.81 0.00 0.00 0.00 175.10 175.54 1lob n PRO 11 N 4.52 0.93 -0.39 2.72 -0.04 -1.26 -4.80 135.00 136.68 1lob n PRO 11 Ca 0.01 -1.98 0.31 0.00 -0.04 0.00 0.00 63.50 61.81 1lob n PRO 11 Cb 0.40 -3.55 0.58 0.00 -0.04 0.00 0.00 33.50 30.89 1lob n PRO 11 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1lob h LEU 12 N 18.77 0.34 -2.16 1.53 4.07 -1.98 0.13 115.31 136.00 1lob h LEU 12 Ca 0.18 0.14 0.06 0.00 0.08 0.00 0.00 57.88 58.35 1lob h LEU 12 Cb 0.89 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1lob h LEU 12 CO 1.36 -0.13 0.27 0.50 -1.08 0.00 0.00 178.44 179.36 1lob h LYS 13 N 0.19 0.00 0.00 1.13 3.64 -1.87 -1.13 116.57 118.54 1lob h LYS 13 Ca 0.76 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 60.11 1lob h LYS 13 Cb 2.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1lob h LYS 13 CO -0.45 0.00 -0.54 0.93 -2.27 0.00 0.00 179.45 177.12 1lob h GLU 14 N 0.00 0.00 0.00 1.90 4.39 -1.14 -3.41 114.58 116.32 1lob h GLU 14 Ca 0.11 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 1lob h GLU 14 Cb 0.65 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1lob h GLU 14 CO -0.00 0.09 -1.92 1.19 -1.16 0.00 0.00 179.01 177.20 1lob n PHE 15 N -2.95 0.00 -4.12 4.33 3.72 -0.50 -5.07 117.46 112.87 1lob n PHE 15 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 1lob n PHE 15 Cb 0.59 -0.62 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 1lob n PHE 15 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1lob s VAL 16 N -2.32 4.20 1.06 -4.37 0.11 -0.78 -5.12 120.40 113.18 1lob s VAL 16 Ca -0.21 -1.17 -0.14 0.00 -2.93 0.00 0.00 61.98 57.53 1lob s VAL 16 Cb 0.06 -3.12 0.22 0.00 -1.53 0.00 0.00 36.38 32.01 1lob s VAL 16 CO 0.38 -0.08 1.09 -2.84 -3.33 0.00 0.00 175.10 170.32 1lob s PRO 17 N -2.96 -0.08 0.23 1.54 0.02 -1.26 -4.78 135.00 127.71 1lob s PRO 17 Ca 0.29 0.42 -0.06 0.00 0.02 0.00 0.00 61.00 61.67 1lob s PRO 17 Cb -0.10 -1.69 0.21 0.00 0.02 0.00 0.00 34.50 32.95 1lob s PRO 17 CO 0.21 -3.06 1.79 0.93 -0.33 0.00 0.00 177.00 176.55 1lob h GLU 18 N -2.12 1.13 -5.26 5.54 5.08 -1.98 -3.40 114.58 113.57 1lob h GLU 18 Ca -0.54 -0.21 -0.65 0.00 -1.00 0.00 0.00 59.36 56.96 1lob h GLU 18 Cb 1.33 -0.18 -0.24 0.00 0.50 0.00 0.00 28.75 30.16 1lob h GLU 18 CO 0.53 0.92 -0.71 -1.58 -1.00 0.00 0.00 179.01 177.18 1lob s TRP 19 N -5.49 2.94 0.21 4.33 0.52 -1.26 -5.13 118.94 115.06 1lob s TRP 19 Ca -0.12 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 55.55 1lob s TRP 19 Cb 0.16 -1.94 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1lob s TRP 19 CO 0.83 -0.17 -0.07 0.14 0.02 0.00 0.00 176.95 177.70 1lob s VAL 20 N 0.53 1.30 0.09 4.03 -7.23 -1.26 -5.16 120.40 112.70 1lob s VAL 20 Ca -0.05 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1lob s VAL 20 Cb -0.15 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1lob s VAL 20 CO 0.03 -0.51 0.03 -0.13 -0.31 0.00 0.00 175.10 174.21 1lob s ARG 21 N -3.77 2.64 0.23 4.82 0.52 -1.26 -5.14 118.95 117.00 1lob s ARG 21 Ca 0.24 -0.81 0.10 0.00 -0.52 0.00 0.00 55.73 54.74 1lob s ARG 21 Cb 0.03 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1lob s ARG 21 CO 0.06 0.54 -0.09 0.96 0.02 0.00 0.00 175.30 176.79 1lob s ILE 22 N -1.36 3.10 -0.31 1.52 -4.36 -1.26 -5.13 121.20 113.40 1lob s ILE 22 Ca 0.27 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1lob s ILE 22 Cb -0.12 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1lob s ILE 22 CO 0.20 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1lob n GLY 23 N -0.39 -0.98 3.30 6.27 0.00 -1.26 -5.15 105.19 106.98 1lob n GLY 23 Ca -0.08 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 1lob n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lob s PHE 24 N -3.00 1.86 0.13 1.61 0.08 -1.26 -5.15 117.98 112.25 1lob s PHE 24 Ca 0.00 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1lob s PHE 24 Cb 0.00 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1lob s PHE 24 CO 0.00 0.24 -0.05 -1.54 -0.10 0.00 0.00 175.22 173.77 1lob s SER 25 N -2.01 1.30 0.00 1.36 1.04 -1.26 -5.17 113.70 108.96 1lob s SER 25 Ca 0.08 -1.07 -0.24 0.00 0.48 0.00 0.00 55.95 55.21 1lob s SER 25 Cb -0.10 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.16 1lob s SER 25 CO 0.05 -0.48 0.54 0.00 0.98 0.00 0.00 173.24 174.33 1lob s ALA 26 N -3.58 -1.38 0.10 5.32 0.00 -1.26 -5.17 121.76 115.79 1lob s ALA 26 Ca 0.17 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1lob s ALA 26 Cb 0.05 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1lob s ALA 26 CO -0.01 -0.42 0.09 0.95 0.00 0.00 0.00 175.76 176.38 1lob s THR 27 N -1.84 0.15 0.23 0.00 -4.23 -1.26 -5.13 115.64 103.55 1lob s THR 27 Ca -0.09 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1lob s THR 27 Cb -0.01 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.13 1lob s THR 27 CO 0.03 -0.68 0.00 0.42 -0.54 0.00 0.00 174.62 173.85 1lob s THR 28 N -3.94 1.00 0.00 3.99 -4.23 -1.26 -4.87 115.64 106.33 1lob s THR 28 Ca 0.12 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1lob s THR 28 Cb 0.06 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1lob s THR 28 CO -0.06 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1lob n GLY 29 N -0.42 3.96 0.13 3.99 0.00 -1.26 -4.95 105.19 106.64 1lob n GLY 29 Ca -0.05 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1lob n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lob h ALA 30 N 1.00 0.88 -1.69 4.61 0.00 -2.08 -3.44 119.26 118.54 1lob h ALA 30 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1lob h ALA 30 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1lob h ALA 30 CO 0.00 0.00 -0.52 -1.21 0.00 0.00 0.00 179.25 177.52 1lob s GLU 31 N -3.16 2.24 0.23 0.00 2.02 -1.26 -5.14 118.70 113.62 1lob s GLU 31 Ca 0.08 -1.77 -0.14 0.00 0.02 0.00 0.00 54.97 53.16 1lob s GLU 31 Cb 0.10 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1lob s GLU 31 CO 0.66 -0.04 0.49 -0.59 0.02 0.00 0.00 175.26 175.80 1lob s PHE 32 N -2.55 0.22 -0.08 1.61 -0.71 -1.26 -4.68 117.98 110.52 1lob s PHE 32 Ca 0.40 -0.59 -0.30 0.00 -1.04 0.00 0.00 56.93 55.40 1lob s PHE 32 Cb 0.02 0.26 0.12 0.00 -1.21 0.00 0.00 43.02 42.20 1lob s PHE 32 CO 0.22 -0.98 0.98 0.00 -1.34 0.00 0.00 175.22 174.10 1lob s ALA 33 N -3.98 -1.90 0.16 1.99 0.00 -1.26 -5.08 121.76 111.70 1lob s ALA 33 Ca 0.18 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 1lob s ALA 33 Cb -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1lob s ALA 33 CO 0.06 -0.57 0.92 0.00 0.00 0.00 0.00 175.76 176.17 1lob s ALA 34 N -2.48 3.31 -0.20 0.00 0.00 -1.26 -4.93 121.76 116.20 1lob s ALA 34 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1lob s ALA 34 Cb -0.01 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.95 1lob s ALA 34 CO -0.06 0.10 -0.06 -1.01 0.00 0.00 0.00 175.76 174.73 1lob s HIS 35 N -0.56 2.11 0.03 0.00 3.76 -1.26 -5.13 115.29 114.24 1lob s HIS 35 Ca 0.43 -1.45 0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1lob s HIS 35 Cb -0.24 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 1lob s HIS 35 CO 0.30 -0.71 -0.10 -1.21 -0.85 0.00 0.00 174.74 172.17 1lob s GLU 36 N 1.50 0.68 -0.12 1.40 2.02 -1.26 -5.05 118.70 117.87 1lob s GLU 36 Ca -0.02 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1lob s GLU 36 Cb -0.17 -0.61 -0.02 0.00 0.10 0.00 0.00 34.13 33.44 1lob s GLU 36 CO -0.07 0.15 -0.12 0.08 0.02 0.00 0.00 175.26 175.31 1lob s VAL 37 N -0.86 3.14 -0.17 2.63 1.01 -1.26 -5.02 120.40 119.87 1lob s VAL 37 Ca -0.02 -0.64 0.13 0.00 0.00 0.00 0.00 61.98 61.45 1lob s VAL 37 Cb -0.07 -2.31 -0.23 0.00 0.00 0.00 0.00 36.38 33.76 1lob s VAL 37 CO 0.01 0.54 0.16 0.18 0.00 0.00 0.00 175.10 175.99 1lob n LEU 38 N 3.28 0.75 -3.66 3.92 4.32 -1.26 -5.04 117.00 119.31 1lob n LEU 38 Ca -0.18 0.08 -0.10 0.00 -0.02 0.00 0.00 56.01 55.79 1lob n LEU 38 Cb 0.53 0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.44 1lob n LEU 38 CO 0.30 0.56 0.29 -0.94 -1.22 0.00 0.00 177.39 176.38 1lob s SER 39 N -5.84 -0.32 -0.18 -1.43 1.04 -1.26 -5.17 113.70 100.53 1lob s SER 39 Ca -0.13 -0.36 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 1lob s SER 39 Cb 0.07 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.82 1lob s SER 39 CO 0.79 -1.02 0.46 0.86 0.98 0.00 0.00 173.24 175.31 1lob s TRP 40 N -3.84 -0.58 0.00 5.02 -0.00 -1.26 -5.15 118.94 113.13 1lob s TRP 40 Ca 0.07 1.32 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 1lob s TRP 40 Cb -0.01 0.24 -0.00 0.00 -0.00 0.00 0.00 33.47 33.70 1lob s TRP 40 CO -0.06 -0.30 -0.01 -0.47 -0.00 0.00 0.00 176.95 176.11 1lob s TYR 41 N 0.74 0.13 -0.02 5.86 5.04 -1.26 -5.16 117.35 122.67 1lob s TYR 41 Ca -0.04 -0.04 -0.05 0.00 -2.44 0.00 0.00 57.07 54.49 1lob s TYR 41 Cb -0.05 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.18 1lob s TYR 41 CO -0.05 -0.01 0.12 0.12 -1.34 0.00 0.00 175.55 174.39 1lob s PHE 42 N -0.09 -0.02 -0.13 4.97 5.36 -1.26 -5.15 117.98 121.65 1lob s PHE 42 Ca -0.00 0.05 -0.06 0.00 -0.96 0.00 0.00 56.93 55.96 1lob s PHE 42 Cb -0.01 -0.02 0.06 0.00 -0.34 0.00 0.00 43.02 42.71 1lob s PHE 42 CO -0.00 -0.18 0.29 -1.58 -1.46 0.00 0.00 175.22 172.30 1lob s HIS 43 N -0.72 -0.44 0.19 10.12 5.65 -1.26 -5.16 115.29 123.68 1lob s HIS 43 Ca -0.08 0.98 0.10 0.00 0.25 0.00 0.00 55.06 56.31 1lob s HIS 43 Cb -0.05 0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.39 1lob s HIS 43 CO 0.01 -0.30 -0.21 -1.54 -0.65 0.00 0.00 174.74 172.04 1lob s SER 44 N 1.67 3.13 -0.04 9.88 1.04 -1.26 -5.14 113.70 122.97 1lob s SER 44 Ca -0.06 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1lob s SER 44 Cb -0.11 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.83 1lob s SER 44 CO -0.10 0.05 0.07 -0.70 0.98 0.00 0.00 173.24 173.55 1lob s GLU 45 N -2.81 -0.01 -0.15 4.02 2.12 -1.26 -5.14 118.70 115.48 1lob s GLU 45 Ca 0.19 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.83 1lob s GLU 45 Cb -0.07 -0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.06 1lob s GLU 45 CO 0.09 -0.21 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.26 1lob s LEU 46 N 1.38 1.91 0.00 2.70 2.96 -1.26 -5.36 118.68 121.01 1lob s LEU 46 Ca -0.06 -0.55 0.30 0.00 -0.22 0.00 0.00 54.13 53.60 1lob s LEU 46 Cb -0.12 -1.31 1.52 0.00 0.50 0.00 0.00 46.19 46.78 1lob s LEU 46 CO -0.04 0.00 2.01 0.00 -1.32 0.00 0.00 176.35 177.00