#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lal s THR 2 N 0.00 2.78 0.17 2.52 2.01 -1.26 -5.14 115.64 116.72 2lal s THR 2 Ca 0.00 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.31 2lal s THR 2 Cb 0.00 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2lal s THR 2 CO 0.00 0.50 -0.06 -0.94 -0.69 0.00 0.00 174.62 173.43 2lal s SER 3 N 0.95 1.71 -0.02 3.53 1.04 -1.26 -5.14 113.70 114.51 2lal s SER 3 Ca -0.02 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.33 2lal s SER 3 Cb -0.15 0.02 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2lal s SER 3 CO -0.02 -0.42 -0.05 -0.31 0.98 0.00 0.00 173.24 173.42 2lal s TYR 4 N -3.41 0.61 -0.01 5.02 1.51 -1.26 -5.15 117.35 114.66 2lal s TYR 4 Ca 0.21 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 2lal s TYR 4 Cb 0.04 -0.46 -0.00 0.00 -0.11 0.00 0.00 41.96 41.42 2lal s TYR 4 CO 0.03 -0.07 -0.10 0.99 -1.11 0.00 0.00 175.55 175.28 2lal s THR 5 N 0.26 0.84 -0.01 -0.71 2.01 -1.26 -5.15 115.64 111.61 2lal s THR 5 Ca -0.03 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2lal s THR 5 Cb -0.07 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.74 2lal s THR 5 CO -0.00 0.24 0.01 -0.22 -0.69 0.00 0.00 174.62 173.96 2lal s LEU 6 N -0.12 1.48 0.17 4.42 2.96 -1.26 -5.16 118.68 121.18 2lal s LEU 6 Ca 0.02 0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.00 2lal s LEU 6 Cb -0.06 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 2lal s LEU 6 CO -0.00 -0.06 -0.15 0.54 -1.32 0.00 0.00 176.35 175.36 2lal s ASN 7 N 0.60 2.41 -0.20 3.68 4.22 -1.26 -5.15 114.94 119.23 2lal s ASN 7 Ca -0.05 -0.94 -0.18 0.00 -2.14 0.00 0.00 52.86 49.54 2lal s ASN 7 Cb -0.08 -0.12 0.05 0.00 1.28 0.00 0.00 41.25 42.39 2lal s ASN 7 CO -0.01 -0.15 0.54 -0.70 -2.04 0.00 0.00 177.10 174.74 2lal s GLU 8 N -3.27 0.63 -0.05 3.55 2.56 -1.26 -5.13 118.70 115.73 2lal s GLU 8 Ca 0.18 0.76 -0.30 0.00 0.00 0.00 0.00 54.97 55.61 2lal s GLU 8 Cb -0.02 0.29 -0.04 0.00 2.00 0.00 0.00 34.13 36.36 2lal s GLU 8 CO 0.05 -0.08 1.38 0.08 -0.56 0.00 0.00 175.26 176.13 2lal s VAL 9 N 0.36 3.89 -0.21 3.70 1.01 -1.26 -5.04 120.40 122.85 2lal s VAL 9 Ca -0.01 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2lal s VAL 9 Cb -0.04 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2lal s VAL 9 CO -0.00 -0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.22 2lal s VAL 10 N 2.79 1.97 -1.05 2.92 1.01 -1.26 -5.10 120.40 121.68 2lal s VAL 10 Ca 0.62 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 2lal s VAL 10 Cb -0.29 -1.93 0.14 0.00 0.00 0.00 0.00 36.38 34.31 2lal s VAL 10 CO 0.24 0.29 1.26 -2.16 0.00 0.00 0.00 175.10 174.73 2lal s PRO 11 N 1.27 3.80 0.24 2.72 0.04 -1.26 -4.85 135.00 136.97 2lal s PRO 11 Ca -0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 61.00 58.91 2lal s PRO 11 Cb -0.16 -4.99 0.42 0.00 0.04 0.00 0.00 34.50 29.82 2lal s PRO 11 CO -0.09 -1.78 1.77 -0.07 0.04 0.00 0.00 177.00 176.86 2lal h LEU 12 N 10.20 0.50 -2.49 -3.56 3.38 -1.98 -0.20 115.31 121.15 2lal h LEU 12 Ca 0.23 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.28 2lal h LEU 12 Cb 0.96 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2lal h LEU 12 CO 1.17 0.25 0.03 0.50 0.09 0.00 0.00 178.44 180.48 2lal h LYS 13 N 0.62 0.00 -0.01 1.13 3.64 -1.88 -0.55 116.57 119.52 2lal h LYS 13 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2lal h LYS 13 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2lal h LYS 13 CO -0.31 0.00 -0.47 -0.25 -2.27 0.00 0.00 179.45 176.15 2lal n ASP 14 N -3.77 0.99 -0.02 4.20 8.00 -0.10 -4.52 116.55 121.34 2lal n ASP 14 Ca -0.02 -0.79 -0.03 0.00 0.71 0.00 0.00 54.79 54.66 2lal n ASP 14 Cb 0.11 0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 2lal n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2lal n VAL 15 N -0.95 0.24 -4.24 2.53 0.31 -0.34 -5.07 118.33 110.81 2lal n VAL 15 Ca 0.08 -0.09 -0.27 0.00 -0.01 0.00 0.00 64.34 64.05 2lal n VAL 15 Cb 0.36 -0.65 -0.09 0.00 -0.91 0.00 0.00 33.84 32.55 2lal n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2lal s VAL 16 N -2.08 3.42 1.01 2.52 -7.23 -0.49 -5.11 120.40 112.45 2lal s VAL 16 Ca -0.06 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 2lal s VAL 16 Cb 0.01 -2.68 0.20 0.00 0.56 0.00 0.00 36.38 34.47 2lal s VAL 16 CO 0.10 -0.06 1.08 -2.84 -0.31 0.00 0.00 175.10 173.07 2lal s PRO 17 N -2.72 0.32 0.48 4.82 0.02 -1.26 -4.72 135.00 131.93 2lal s PRO 17 Ca 0.25 0.72 0.13 0.00 0.02 0.00 0.00 61.00 62.12 2lal s PRO 17 Cb -0.09 -1.71 1.11 0.00 0.02 0.00 0.00 34.50 33.83 2lal s PRO 17 CO 0.16 -2.86 2.11 0.93 -0.33 0.00 0.00 177.00 177.01 2lal h GLU 18 N -1.99 0.18 -6.72 5.54 5.08 -1.96 -3.41 114.58 111.29 2lal h GLU 18 Ca -0.54 -0.01 -0.70 0.00 -1.00 0.00 0.00 59.36 57.11 2lal h GLU 18 Cb 1.32 -0.04 -0.27 0.00 0.50 0.00 0.00 28.75 30.26 2lal h GLU 18 CO 0.54 0.14 -0.88 -1.58 -1.00 0.00 0.00 179.01 176.23 2lal s TRP 19 N -5.18 2.33 0.10 4.33 0.52 -1.26 -5.13 118.94 114.65 2lal s TRP 19 Ca -0.06 -0.41 -0.06 0.00 0.02 0.00 0.00 56.10 55.60 2lal s TRP 19 Cb 0.17 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 2lal s TRP 19 CO 0.69 0.12 0.13 0.14 0.02 0.00 0.00 176.95 178.05 2lal s VAL 20 N -0.80 0.15 -0.04 4.03 -7.23 -1.26 -5.14 120.40 110.10 2lal s VAL 20 Ca 0.12 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2lal s VAL 20 Cb -0.10 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 2lal s VAL 20 CO 0.02 -0.67 -0.10 -0.13 -0.31 0.00 0.00 175.10 173.91 2lal s ARG 21 N -3.92 2.58 0.05 4.82 0.52 -1.26 -5.15 118.95 116.59 2lal s ARG 21 Ca 0.10 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2lal s ARG 21 Cb 0.06 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2lal s ARG 21 CO -0.07 0.63 0.16 0.96 0.02 0.00 0.00 175.30 177.00 2lal s ILE 22 N -0.83 5.12 0.01 1.52 -4.36 -1.26 -5.12 121.20 116.28 2lal s ILE 22 Ca 0.13 -0.47 -0.28 0.00 -0.26 0.00 0.00 60.65 59.77 2lal s ILE 22 Cb -0.11 -3.47 0.10 0.00 1.25 0.00 0.00 42.46 40.23 2lal s ILE 22 CO 0.03 0.17 1.26 -0.83 0.24 0.00 0.00 174.94 175.80 2lal s GLY 23 N -2.37 -0.13 0.08 6.27 0.00 -1.26 -5.16 107.32 104.76 2lal s GLY 23 Ca 0.32 0.06 0.10 0.00 0.00 0.00 0.00 44.72 45.20 2lal s GLY 23 CO 0.25 4.68 -0.27 -1.36 0.00 0.00 0.00 173.10 176.40 2lal s PHE 24 N -2.08 2.31 0.10 1.90 0.08 -1.26 -5.16 117.98 113.87 2lal s PHE 24 Ca 0.27 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.97 2lal s PHE 24 Cb -0.00 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 2lal s PHE 24 CO -0.00 0.22 -0.13 0.45 -0.10 0.00 0.00 175.22 175.66 2lal s SER 25 N -1.62 1.81 0.03 1.36 0.15 -1.26 -5.16 113.70 109.01 2lal s SER 25 Ca 0.13 -0.75 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 2lal s SER 25 Cb -0.10 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 2lal s SER 25 CO 0.04 -0.14 0.22 0.00 1.20 0.00 0.00 173.24 174.56 2lal s ALA 26 N -1.90 -0.47 0.09 5.45 0.00 -1.26 -5.16 121.76 118.50 2lal s ALA 26 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2lal s ALA 26 Cb -0.06 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2lal s ALA 26 CO 0.02 -0.33 -0.02 0.95 0.00 0.00 0.00 175.76 176.38 2lal s THR 27 N -2.21 0.40 0.28 0.00 -4.23 -1.26 -5.14 115.64 103.47 2lal s THR 27 Ca -0.08 -1.88 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 2lal s THR 27 Cb -0.03 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 2lal s THR 27 CO -0.02 -0.82 -0.14 0.42 -0.54 0.00 0.00 174.62 173.52 2lal s THR 28 N -3.82 2.13 0.00 3.99 -4.23 -1.26 -4.90 115.64 107.55 2lal s THR 28 Ca 0.13 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 2lal s THR 28 Cb 0.07 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2lal s THR 28 CO -0.05 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2lal n GLY 29 N -0.60 2.78 0.20 3.99 0.00 -1.26 -4.99 105.19 105.30 2lal n GLY 29 Ca -0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2lal n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2lal h ALA 30 N 1.00 0.01 -2.34 4.61 0.00 -2.07 -3.41 119.26 117.07 2lal h ALA 30 Ca 0.00 0.08 -0.49 0.00 0.00 0.00 0.00 54.91 54.50 2lal h ALA 30 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2lal h ALA 30 CO 0.00 -0.57 0.17 -1.21 0.00 0.00 0.00 179.25 177.64 2lal s GLU 31 N -6.16 4.18 0.32 0.00 2.02 -1.26 -5.11 118.70 112.69 2lal s GLU 31 Ca -0.14 0.88 -0.09 0.00 0.02 0.00 0.00 54.97 55.64 2lal s GLU 31 Cb 0.12 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 31.81 2lal s GLU 31 CO 0.68 0.20 0.56 -0.59 0.02 0.00 0.00 175.26 176.13 2lal s PHE 32 N -1.85 0.60 -0.24 1.61 -0.12 -1.26 -4.76 117.98 111.96 2lal s PHE 32 Ca 0.52 -0.98 -0.31 0.00 -0.05 0.00 0.00 56.93 56.11 2lal s PHE 32 Cb -0.13 0.23 0.17 0.00 -0.63 0.00 0.00 43.02 42.66 2lal s PHE 32 CO 0.18 -1.20 1.26 0.00 -0.05 0.00 0.00 175.22 175.41 2lal s ALA 33 N -3.19 -2.07 0.13 1.99 0.00 -1.26 -5.04 121.76 112.31 2lal s ALA 33 Ca 0.24 1.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 2lal s ALA 33 Cb -0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 2lal s ALA 33 CO 0.15 -0.32 1.02 0.00 0.00 0.00 0.00 175.76 176.60 2lal s ALA 34 N -1.29 3.29 -0.19 0.00 0.00 -1.26 -4.87 121.76 117.45 2lal s ALA 34 Ca 0.07 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 2lal s ALA 34 Cb -0.01 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.84 2lal s ALA 34 CO -0.05 -0.11 -0.06 -0.65 0.00 0.00 0.00 175.76 174.89 2lal s GLN 35 N -0.04 1.53 0.05 0.00 1.11 -1.26 -5.12 119.66 115.92 2lal s GLN 35 Ca 0.48 -0.66 0.04 0.00 0.01 0.00 0.00 55.36 55.24 2lal s GLN 35 Cb -0.26 -2.19 -0.02 0.00 -1.01 0.00 0.00 33.01 29.53 2lal s GLN 35 CO 0.31 -0.47 -0.12 -1.21 0.01 0.00 0.00 175.29 173.81 2lal s GLU 36 N 1.56 0.77 -0.06 2.91 2.02 -1.26 -5.07 118.70 119.57 2lal s GLU 36 Ca -0.01 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.22 2lal s GLU 36 Cb -0.16 -0.72 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 2lal s GLU 36 CO -0.08 0.17 -0.22 0.08 0.02 0.00 0.00 175.26 175.23 2lal s VAL 37 N -1.10 1.87 -0.16 2.63 1.01 -1.26 -5.03 120.40 118.35 2lal s VAL 37 Ca -0.02 -0.95 0.18 0.00 0.00 0.00 0.00 61.98 61.19 2lal s VAL 37 Cb -0.09 -1.60 -0.25 0.00 0.00 0.00 0.00 36.38 34.44 2lal s VAL 37 CO 0.01 0.52 0.13 1.41 0.00 0.00 0.00 175.10 177.18 2lal n HIS 38 N 3.17 0.00 -3.63 5.22 8.25 -1.26 -5.02 115.22 121.95 2lal n HIS 38 Ca -0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.13 2lal n HIS 38 Cb 0.52 -0.88 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 2lal n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2lal s SER 39 N -5.22 -0.41 -0.14 0.41 1.04 -1.26 -5.16 113.70 102.96 2lal s SER 39 Ca -0.09 0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.59 2lal s SER 39 Cb 0.07 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.69 2lal s SER 39 CO 0.81 -0.58 0.29 0.86 0.98 0.00 0.00 173.24 175.59 2lal s TRP 40 N -1.63 -0.46 0.02 5.02 -0.00 -1.26 -5.16 118.94 115.46 2lal s TRP 40 Ca -0.10 1.02 0.07 0.00 -0.00 0.00 0.00 56.10 57.09 2lal s TRP 40 Cb -0.02 0.04 -0.03 0.00 -0.00 0.00 0.00 33.47 33.46 2lal s TRP 40 CO 0.04 -0.35 -0.19 0.45 -0.00 0.00 0.00 176.95 176.91 2lal s SER 41 N 2.17 3.72 -0.13 5.86 0.15 -1.26 -5.16 113.70 119.05 2lal s SER 41 Ca -0.02 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 2lal s SER 41 Cb -0.11 -0.61 0.03 0.00 -1.71 0.00 0.00 66.02 63.62 2lal s SER 41 CO -0.09 0.28 0.35 0.12 1.20 0.00 0.00 173.24 175.10 2lal s PHE 42 N -0.85 -0.38 -0.10 3.44 2.19 -1.26 -5.16 117.98 115.87 2lal s PHE 42 Ca 0.13 0.93 -0.04 0.00 0.33 0.00 0.00 56.93 58.29 2lal s PHE 42 Cb -0.10 0.13 0.05 0.00 -1.31 0.00 0.00 43.02 41.79 2lal s PHE 42 CO 0.03 -0.19 0.21 1.21 1.83 0.00 0.00 175.22 178.31 2lal s ASN 43 N 0.17 0.12 0.16 6.13 2.47 -1.26 -5.17 114.94 117.57 2lal s ASN 43 Ca -0.00 0.44 0.02 0.00 0.42 0.00 0.00 52.86 53.75 2lal s ASN 43 Cb -0.02 0.39 -0.05 0.00 -1.45 0.00 0.00 41.25 40.12 2lal s ASN 43 CO 0.01 -0.19 -0.02 -0.94 -3.72 0.00 0.00 177.10 172.23 2lal s SER 44 N 1.71 1.36 -0.11 -4.21 1.04 -1.26 -5.14 113.70 107.10 2lal s SER 44 Ca -0.04 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 2lal s SER 44 Cb -0.11 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.14 2lal s SER 44 CO -0.07 -0.51 0.14 -1.10 0.98 0.00 0.00 173.24 172.67 2lal s GLN 45 N -3.87 0.04 -0.31 4.02 -0.21 -1.26 -5.13 119.66 112.93 2lal s GLN 45 Ca 0.21 0.36 -0.07 0.00 0.02 0.00 0.00 55.36 55.88 2lal s GLN 45 Cb 0.05 -0.73 0.02 0.00 1.00 0.00 0.00 33.01 33.35 2lal s GLN 45 CO 0.03 -0.43 0.11 -1.17 -2.12 0.00 0.00 175.29 171.71 2lal s LEU 46 N 2.25 4.07 0.00 2.90 2.96 -1.26 -5.37 118.68 124.23 2lal s LEU 46 Ca 0.04 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2lal s LEU 46 Cb -0.13 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2lal s LEU 46 CO -0.07 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.33