#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ltn s THR 2 N 0.00 1.15 0.13 2.52 2.01 -1.26 -5.14 115.64 115.06 2ltn s THR 2 Ca 0.00 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.68 2ltn s THR 2 Cb 0.00 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2ltn s THR 2 CO 0.00 0.39 -0.14 -0.94 -0.69 0.00 0.00 174.62 173.24 2ltn s SER 3 N 1.55 2.04 -0.01 3.53 1.04 -1.26 -5.15 113.70 115.44 2ltn s SER 3 Ca 0.03 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.63 2ltn s SER 3 Cb -0.13 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2ltn s SER 3 CO -0.07 -0.15 -0.02 -0.31 0.98 0.00 0.00 173.24 173.67 2ltn s TYR 4 N -2.22 0.24 0.08 5.02 1.51 -1.26 -5.16 117.35 115.56 2ltn s TYR 4 Ca 0.10 -0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.19 2ltn s TYR 4 Cb -0.04 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 2ltn s TYR 4 CO 0.03 -0.04 -0.13 -0.08 -1.11 0.00 0.00 175.55 174.21 2ltn s THR 5 N 0.30 1.10 -0.09 -0.71 -1.32 -1.26 -5.16 115.64 108.50 2ltn s THR 5 Ca -0.03 -1.38 -0.16 0.00 -1.21 0.00 0.00 61.69 58.91 2ltn s THR 5 Cb -0.05 -1.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2ltn s THR 5 CO -0.01 -0.29 0.39 -0.22 -2.21 0.00 0.00 174.62 172.28 2ltn s LEU 6 N -1.90 0.52 0.09 9.08 2.96 -1.26 -5.18 118.68 122.99 2ltn s LEU 6 Ca -0.00 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 2ltn s LEU 6 Cb -0.09 1.43 0.01 0.00 0.50 0.00 0.00 46.19 48.05 2ltn s LEU 6 CO 0.02 -0.29 0.25 -0.94 -1.32 0.00 0.00 176.35 174.07 2ltn s SER 7 N -0.49 -0.00 0.14 3.68 1.04 -1.26 -5.17 113.70 111.64 2ltn s SER 7 Ca -0.06 -0.49 -0.24 0.00 0.48 0.00 0.00 55.95 55.64 2ltn s SER 7 Cb -0.04 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.52 2ltn s SER 7 CO 0.03 -0.73 0.78 -0.62 0.98 0.00 0.00 173.24 173.68 2ltn s ASP 8 N -2.68 -0.36 -0.17 7.02 3.68 -1.26 -5.14 116.67 117.76 2ltn s ASP 8 Ca 0.02 -0.22 -0.18 0.00 2.13 0.00 0.00 52.55 54.30 2ltn s ASP 8 Cb 0.03 0.55 -0.04 0.00 -1.45 0.00 0.00 42.92 42.01 2ltn s ASP 8 CO -0.10 -0.95 0.50 0.68 0.13 0.00 0.00 175.17 175.43 2ltn s VAL 9 N -3.53 5.14 -0.14 1.11 -7.23 -1.26 -5.04 120.40 109.45 2ltn s VAL 9 Ca 0.07 0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 61.16 2ltn s VAL 9 Cb -0.02 -3.83 0.04 0.00 0.56 0.00 0.00 36.38 33.13 2ltn s VAL 9 CO -0.04 0.23 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.27 2ltn s VAL 10 N 1.29 0.76 -1.07 1.32 1.01 -1.26 -5.07 120.40 117.37 2ltn s VAL 10 Ca 0.24 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 2ltn s VAL 10 Cb -0.15 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.37 2ltn s VAL 10 CO 0.10 0.13 1.35 -0.94 0.00 0.00 0.00 175.10 175.74 2ltn s SER 11 N 1.79 6.75 0.25 3.32 1.04 -1.26 -4.86 113.70 120.73 2ltn s SER 11 Ca 0.02 -2.25 -0.04 0.00 0.48 0.00 0.00 55.95 54.16 2ltn s SER 11 Cb -0.14 -2.45 0.47 0.00 0.10 0.00 0.00 66.02 63.99 2ltn s SER 11 CO -0.07 -1.07 1.71 -0.07 0.98 0.00 0.00 173.24 174.72 2ltn h LEU 12 N 10.92 0.20 -2.00 2.42 3.38 -1.97 0.03 115.31 128.29 2ltn h LEU 12 Ca 0.25 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.51 2ltn h LEU 12 Cb 0.96 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2ltn h LEU 12 CO 1.25 0.05 0.43 0.50 0.09 0.00 0.00 178.44 180.76 2ltn h LYS 13 N 0.38 0.00 0.00 1.13 3.64 -1.89 -0.88 116.57 118.95 2ltn h LYS 13 Ca 0.42 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2ltn h LYS 13 Cb 0.67 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2ltn h LYS 13 CO -0.44 0.00 -0.57 -0.25 -2.27 0.00 0.00 179.45 175.92 2ltn n ASP 14 N -4.36 0.59 -0.06 4.20 8.00 -0.01 -4.58 116.55 120.34 2ltn n ASP 14 Ca 0.11 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.51 2ltn n ASP 14 Cb 0.67 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.91 2ltn n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2ltn n VAL 15 N -1.86 0.65 -4.05 2.53 0.24 -0.44 -5.05 118.33 110.35 2ltn n VAL 15 Ca 0.04 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.34 61.91 2ltn n VAL 15 Cb 0.40 -1.19 -0.04 0.00 -1.47 0.00 0.00 33.84 31.53 2ltn n VAL 15 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2ltn s VAL 16 N -2.22 4.31 0.96 3.34 -7.23 -0.60 -5.11 120.40 113.84 2ltn s VAL 16 Ca -0.16 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 2ltn s VAL 16 Cb 0.05 -3.38 0.17 0.00 0.56 0.00 0.00 36.38 33.77 2ltn s VAL 16 CO 0.24 -0.32 1.12 -2.16 -0.31 0.00 0.00 175.10 173.68 2ltn s PRO 17 N -3.88 0.75 0.27 4.82 0.04 -1.26 -4.72 135.00 131.02 2ltn s PRO 17 Ca 0.34 0.34 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 2ltn s PRO 17 Cb -0.08 -1.79 0.35 0.00 0.04 0.00 0.00 34.50 33.02 2ltn s PRO 17 CO 0.25 -2.48 1.90 0.93 0.04 0.00 0.00 177.00 177.65 2ltn h GLU 18 N -1.70 1.11 -5.64 4.56 5.08 -1.97 -3.40 114.58 112.62 2ltn h GLU 18 Ca -0.52 -0.11 -0.66 0.00 -1.00 0.00 0.00 59.36 57.07 2ltn h GLU 18 Cb 1.33 -0.23 -0.19 0.00 0.50 0.00 0.00 28.75 30.17 2ltn h GLU 18 CO 0.59 0.80 -0.65 -1.58 -1.00 0.00 0.00 179.01 177.17 2ltn s TRP 19 N -5.78 3.07 0.26 4.33 0.52 -1.26 -5.12 118.94 114.96 2ltn s TRP 19 Ca -0.12 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2ltn s TRP 19 Cb 0.17 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 2ltn s TRP 19 CO 0.81 0.19 0.10 0.14 0.02 0.00 0.00 176.95 178.22 2ltn s VAL 20 N -0.21 0.49 0.08 4.03 -7.23 -1.26 -5.14 120.40 111.16 2ltn s VAL 20 Ca 0.04 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 2ltn s VAL 20 Cb -0.13 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2ltn s VAL 20 CO 0.02 0.00 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.50 2ltn s ARG 21 N -4.03 1.90 0.13 4.82 0.52 -1.26 -5.15 118.95 115.89 2ltn s ARG 21 Ca 0.38 -1.09 0.11 0.00 -0.52 0.00 0.00 55.73 54.60 2ltn s ARG 21 Cb 0.08 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 2ltn s ARG 21 CO 0.14 0.51 -0.25 0.96 0.02 0.00 0.00 175.30 176.68 2ltn s ILE 22 N -1.03 2.41 0.00 1.52 -4.36 -1.26 -5.12 121.20 113.36 2ltn s ILE 22 Ca 0.16 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 2ltn s ILE 22 Cb -0.10 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.52 2ltn s ILE 22 CO 0.07 0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.94 2ltn n GLY 23 N 0.83 0.71 3.29 6.27 0.00 -1.26 -5.17 105.19 109.86 2ltn n GLY 23 Ca -0.17 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 2ltn n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ltn s PHE 24 N -2.31 1.69 0.02 1.61 0.40 -1.26 -5.16 117.98 112.97 2ltn s PHE 24 Ca 0.00 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 2ltn s PHE 24 Cb 0.00 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 2ltn s PHE 24 CO 0.00 0.24 -0.04 0.45 0.70 0.00 0.00 175.22 176.57 2ltn s SER 25 N -2.35 0.42 0.03 1.36 0.15 -1.26 -5.16 113.70 106.88 2ltn s SER 25 Ca 0.11 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.21 2ltn s SER 25 Cb -0.07 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2ltn s SER 25 CO 0.05 -0.22 0.22 0.00 1.20 0.00 0.00 173.24 174.49 2ltn s ALA 26 N -1.20 -0.48 0.07 5.45 0.00 -1.26 -5.17 121.76 119.17 2ltn s ALA 26 Ca -0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 2ltn s ALA 26 Cb -0.08 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2ltn s ALA 26 CO -0.00 -0.34 0.08 0.95 0.00 0.00 0.00 175.76 176.45 2ltn s THR 27 N -2.22 0.18 0.22 0.00 -4.23 -1.26 -5.13 115.64 103.19 2ltn s THR 27 Ca -0.08 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 2ltn s THR 27 Cb -0.03 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.38 2ltn s THR 27 CO -0.02 -0.80 -0.00 0.42 -0.54 0.00 0.00 174.62 173.68 2ltn s THR 28 N -3.79 0.95 0.00 3.99 -4.23 -1.26 -4.92 115.64 106.38 2ltn s THR 28 Ca 0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2ltn s THR 28 Cb 0.06 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2ltn s THR 28 CO -0.10 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2ltn n GLY 29 N -0.38 4.15 0.19 3.99 0.00 -1.26 -5.01 105.19 106.86 2ltn n GLY 29 Ca -0.05 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 2ltn n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ltn h ALA 30 N 1.00 0.88 -3.00 4.61 0.00 -2.07 -3.41 119.26 117.27 2ltn h ALA 30 Ca 0.00 -0.50 -0.64 0.00 0.00 0.00 0.00 54.91 53.77 2ltn h ALA 30 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2ltn h ALA 30 CO 0.00 0.68 -0.54 -1.21 0.00 0.00 0.00 179.25 178.18 2ltn s GLU 31 N -3.94 3.20 0.32 0.00 0.41 -1.26 -5.11 118.70 112.33 2ltn s GLU 31 Ca -0.05 -0.47 -0.05 0.00 -0.41 0.00 0.00 54.97 53.99 2ltn s GLU 31 Cb 0.12 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 2ltn s GLU 31 CO 0.80 0.63 0.47 1.52 -0.49 0.00 0.00 175.26 178.19 2ltn s TYR 32 N -1.33 0.90 -0.02 1.61 1.13 -1.26 -4.83 117.35 113.56 2ltn s TYR 32 Ca 0.28 -1.17 -0.29 0.00 -1.41 0.00 0.00 57.07 54.47 2ltn s TYR 32 Cb -0.12 -0.02 0.10 0.00 -1.10 0.00 0.00 41.96 40.82 2ltn s TYR 32 CO 0.19 -1.10 0.95 0.00 -2.51 0.00 0.00 175.55 173.08 2ltn s ALA 33 N -3.28 -1.85 0.10 9.51 0.00 -1.26 -5.07 121.76 119.91 2ltn s ALA 33 Ca 0.29 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 53.09 2ltn s ALA 33 Cb -0.00 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 23.41 2ltn s ALA 33 CO 0.17 -0.71 0.57 0.00 0.00 0.00 0.00 175.76 175.79 2ltn s ALA 34 N -3.02 3.58 -0.20 0.00 0.00 -1.26 -4.93 121.76 115.93 2ltn s ALA 34 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2ltn s ALA 34 Cb -0.01 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.54 2ltn s ALA 34 CO -0.07 0.42 -0.16 -1.01 0.00 0.00 0.00 175.76 174.93 2ltn s HIS 35 N -1.25 2.79 0.07 0.00 3.76 -1.26 -5.12 115.29 114.28 2ltn s HIS 35 Ca 0.32 -1.76 0.04 0.00 -0.15 0.00 0.00 55.06 53.51 2ltn s HIS 35 Cb -0.18 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 2ltn s HIS 35 CO 0.19 -0.80 -0.11 -1.21 -0.85 0.00 0.00 174.74 171.96 2ltn s GLU 36 N 1.28 0.73 -0.11 1.40 2.02 -1.26 -5.07 118.70 117.69 2ltn s GLU 36 Ca 0.01 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.07 2ltn s GLU 36 Cb -0.15 -0.56 -0.00 0.00 0.10 0.00 0.00 34.13 33.51 2ltn s GLU 36 CO -0.10 0.11 -0.21 0.08 0.02 0.00 0.00 175.26 175.16 2ltn s VAL 37 N -1.67 2.32 -0.14 2.63 1.01 -1.26 -5.03 120.40 118.27 2ltn s VAL 37 Ca -0.02 -0.92 0.19 0.00 0.00 0.00 0.00 61.98 61.22 2ltn s VAL 37 Cb -0.08 -1.92 -0.28 0.00 0.00 0.00 0.00 36.38 34.11 2ltn s VAL 37 CO 0.01 0.55 0.21 0.18 0.00 0.00 0.00 175.10 176.05 2ltn n LEU 38 N 3.54 0.00 -3.72 3.92 4.32 -1.26 -5.01 117.00 118.79 2ltn n LEU 38 Ca -0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.67 2ltn n LEU 38 Cb 0.53 0.32 -0.07 0.00 -1.62 0.00 0.00 43.42 42.57 2ltn n LEU 38 CO 0.29 0.32 0.09 -0.55 -1.22 0.00 0.00 177.39 176.31 2ltn s SER 39 N -5.10 -0.22 -0.21 -1.43 0.15 -1.26 -5.17 113.70 100.46 2ltn s SER 39 Ca -0.09 0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.47 2ltn s SER 39 Cb 0.09 0.37 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 2ltn s SER 39 CO 0.84 -0.57 0.48 0.86 1.20 0.00 0.00 173.24 176.05 2ltn s TRP 40 N -2.03 -0.81 0.18 3.44 -0.00 -1.26 -5.16 118.94 113.29 2ltn s TRP 40 Ca -0.08 1.60 0.07 0.00 -0.00 0.00 0.00 56.10 57.68 2ltn s TRP 40 Cb -0.02 0.39 -0.04 0.00 -0.00 0.00 0.00 33.47 33.79 2ltn s TRP 40 CO 0.00 -0.45 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.83 2ltn s SER 41 N 1.94 2.29 -0.15 5.86 1.04 -1.26 -5.16 113.70 118.26 2ltn s SER 41 Ca -0.07 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.22 2ltn s SER 41 Cb -0.09 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 65.98 2ltn s SER 41 CO -0.15 -0.21 0.43 0.12 0.98 0.00 0.00 173.24 174.41 2ltn s PHE 42 N -2.96 -0.46 -0.05 5.02 5.36 -1.26 -5.15 117.98 118.48 2ltn s PHE 42 Ca 0.19 1.11 -0.02 0.00 -0.96 0.00 0.00 56.93 57.25 2ltn s PHE 42 Cb -0.00 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 2ltn s PHE 42 CO 0.05 -0.24 0.12 -1.58 -1.46 0.00 0.00 175.22 172.11 2ltn s HIS 43 N 0.14 -0.12 0.07 10.12 5.65 -1.26 -5.16 115.29 124.74 2ltn s HIS 43 Ca -0.01 0.39 0.06 0.00 0.25 0.00 0.00 55.06 55.75 2ltn s HIS 43 Cb -0.03 -0.11 -0.03 0.00 -1.18 0.00 0.00 32.58 31.23 2ltn s HIS 43 CO 0.01 -0.14 -0.16 -1.54 -0.65 0.00 0.00 174.74 172.25 2ltn s SER 44 N 1.06 1.94 -0.04 9.88 1.04 -1.26 -5.14 113.70 121.18 2ltn s SER 44 Ca -0.08 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 2ltn s SER 44 Cb -0.11 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.95 2ltn s SER 44 CO -0.05 -0.01 0.06 -0.70 0.98 0.00 0.00 173.24 173.53 2ltn s GLU 45 N -1.64 -0.07 -0.24 4.02 2.12 -1.26 -5.12 118.70 116.50 2ltn s GLU 45 Ca 0.01 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.68 2ltn s GLU 45 Cb -0.10 -0.52 0.00 0.00 0.26 0.00 0.00 34.13 33.78 2ltn s GLU 45 CO 0.03 -0.33 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.23 2ltn s LEU 46 N 2.17 3.20 0.11 2.70 2.96 -1.26 -4.99 118.68 123.57 2ltn s LEU 46 Ca 0.05 -0.54 0.26 0.00 -0.22 0.00 0.00 54.13 53.68 2ltn s LEU 46 Cb -0.12 -1.77 0.70 0.00 0.50 0.00 0.00 46.19 45.50 2ltn s LEU 46 CO -0.03 -0.08 1.60 -1.20 -1.32 0.00 0.00 176.35 175.32 2ltn n SER 47 N 4.80 0.57 0.00 3.68 7.64 -1.26 -5.38 113.62 123.67 2ltn n SER 47 Ca -0.17 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2ltn n SER 47 Cb 0.50 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2ltn n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64