#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1les s THR 2 N 0.00 1.85 0.07 2.52 2.01 -1.26 -5.13 115.64 115.70 1les s THR 2 Ca 0.00 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1les s THR 2 Cb 0.00 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1les s THR 2 CO 0.00 0.52 -0.03 -0.94 -0.69 0.00 0.00 174.62 173.47 1les s SER 3 N 0.20 0.67 -0.02 3.53 1.04 -1.26 -5.15 113.70 112.72 1les s SER 3 Ca -0.12 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1les s SER 3 Cb -0.16 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1les s SER 3 CO 0.06 -0.57 0.02 -0.31 0.98 0.00 0.00 173.24 173.42 1les s TYR 4 N -3.84 0.06 0.12 5.02 1.51 -1.26 -5.15 117.35 113.81 1les s TYR 4 Ca 0.10 0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.31 1les s TYR 4 Cb 0.07 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1les s TYR 4 CO -0.07 -0.07 -0.16 0.95 -1.11 0.00 0.00 175.55 175.08 1les s THR 5 N 0.82 1.48 -0.08 -0.71 -4.23 -1.26 -5.14 115.64 106.51 1les s THR 5 Ca -0.07 -1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 58.68 1les s THR 5 Cb -0.10 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.21 1les s THR 5 CO -0.02 -0.32 0.22 -0.22 -0.54 0.00 0.00 174.62 173.74 1les s LEU 6 N -2.34 1.03 0.09 4.79 2.96 -1.26 -5.17 118.68 118.78 1les s LEU 6 Ca 0.09 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 1les s LEU 6 Cb -0.06 0.72 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1les s LEU 6 CO 0.04 -0.09 -0.19 0.20 -1.32 0.00 0.00 176.35 174.98 1les s ASN 7 N 0.36 2.31 -0.12 3.68 0.01 -1.26 -5.16 114.94 114.77 1les s ASN 7 Ca -0.02 -0.65 -0.26 0.00 -0.71 0.00 0.00 52.86 51.22 1les s ASN 7 Cb -0.03 -0.12 0.06 0.00 0.41 0.00 0.00 41.25 41.56 1les s ASN 7 CO -0.02 0.04 0.62 -0.70 -1.51 0.00 0.00 177.10 175.53 1les s GLU 8 N -1.78 0.90 -0.16 -0.60 2.56 -1.26 -5.13 118.70 113.23 1les s GLU 8 Ca 0.04 0.44 -0.25 0.00 0.00 0.00 0.00 54.97 55.20 1les s GLU 8 Cb -0.10 0.43 -0.02 0.00 2.00 0.00 0.00 34.13 36.44 1les s GLU 8 CO 0.03 -0.22 0.84 0.14 -0.56 0.00 0.00 175.26 175.49 1les s VAL 9 N -0.64 4.88 -0.19 3.70 -7.23 -1.26 -5.02 120.40 114.64 1les s VAL 9 Ca -0.07 1.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.75 1les s VAL 9 Cb -0.02 -4.15 0.05 0.00 0.56 0.00 0.00 36.38 32.82 1les s VAL 9 CO 0.06 0.04 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.13 1les s VAL 10 N 2.03 1.37 -1.21 1.32 1.01 -1.26 -5.06 120.40 118.60 1les s VAL 10 Ca 0.39 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1les s VAL 10 Cb -0.17 -1.53 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1les s VAL 10 CO 0.13 0.10 1.64 -2.16 0.00 0.00 0.00 175.10 174.81 1les s PRO 11 N 1.51 3.87 0.29 2.72 0.04 -1.26 -4.83 135.00 137.33 1les s PRO 11 Ca -0.01 -1.74 0.04 0.00 0.04 0.00 0.00 61.00 59.33 1les s PRO 11 Cb -0.16 -5.47 0.73 0.00 0.04 0.00 0.00 34.50 29.64 1les s PRO 11 CO -0.08 -2.23 1.72 -0.07 0.04 0.00 0.00 177.00 176.38 1les h LEU 12 N 12.56 0.45 -1.31 -3.56 3.38 -1.98 -1.96 115.31 122.89 1les h LEU 12 Ca 0.37 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.62 1les h LEU 12 Cb 0.91 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1les h LEU 12 CO 1.44 0.06 0.57 0.50 0.09 0.00 0.00 178.44 181.10 1les h LYS 13 N 0.48 0.66 -0.00 1.13 3.64 -1.88 0.65 116.57 121.25 1les h LYS 13 Ca 0.56 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1les h LYS 13 Cb 1.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1les h LYS 13 CO -0.49 0.43 -0.25 -0.25 -2.27 0.00 0.00 179.45 176.63 1les n ASP 14 N -4.55 0.46 -0.06 4.20 8.00 -0.74 -4.41 116.55 119.45 1les n ASP 14 Ca 0.17 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1les n ASP 14 Cb 0.46 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 1les n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1les n VAL 15 N -1.22 0.64 -4.09 2.53 0.31 -0.05 -5.06 118.33 111.39 1les n VAL 15 Ca 0.09 -0.19 -0.24 0.00 -0.01 0.00 0.00 64.34 63.99 1les n VAL 15 Cb 0.32 -1.36 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 1les n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1les s VAL 16 N -2.22 4.53 1.24 2.52 -7.23 0.02 -5.12 120.40 114.14 1les s VAL 16 Ca -0.16 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 1les s VAL 16 Cb 0.05 -3.38 0.30 0.00 0.56 0.00 0.00 36.38 33.92 1les s VAL 16 CO 0.22 -0.22 1.02 -2.84 -0.31 0.00 0.00 175.10 172.97 1les s PRO 17 N -3.46 -1.53 0.28 4.82 0.02 -1.26 -4.73 135.00 129.15 1les s PRO 17 Ca 0.32 0.36 0.04 0.00 0.02 0.00 0.00 61.00 61.74 1les s PRO 17 Cb -0.09 -1.52 0.42 0.00 0.02 0.00 0.00 34.50 33.33 1les s PRO 17 CO 0.24 -4.00 1.70 0.93 -0.33 0.00 0.00 177.00 175.54 1les h GLU 18 N -2.80 0.37 -5.41 5.54 5.08 -1.97 -3.41 114.58 111.97 1les h GLU 18 Ca -0.52 -0.16 -0.66 0.00 -1.00 0.00 0.00 59.36 57.03 1les h GLU 18 Cb 1.33 -0.01 -0.26 0.00 0.50 0.00 0.00 28.75 30.31 1les h GLU 18 CO 0.41 0.67 -0.75 -1.58 -1.00 0.00 0.00 179.01 176.76 1les s TRP 19 N -4.31 2.83 0.25 4.33 0.52 -1.26 -5.13 118.94 116.17 1les s TRP 19 Ca -0.06 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.52 1les s TRP 19 Cb 0.13 -1.84 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 1les s TRP 19 CO 0.78 -0.15 0.12 0.14 0.02 0.00 0.00 176.95 177.86 1les s VAL 20 N 0.24 0.36 0.05 4.03 -7.23 -1.26 -5.15 120.40 111.45 1les s VAL 20 Ca -0.08 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1les s VAL 20 Cb -0.15 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1les s VAL 20 CO 0.05 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.48 1les s ARG 21 N -4.03 1.47 0.10 4.82 0.52 -1.26 -5.15 118.95 115.42 1les s ARG 21 Ca 0.38 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 1les s ARG 21 Cb 0.07 -1.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 1les s ARG 21 CO 0.14 0.41 -0.10 0.96 0.02 0.00 0.00 175.30 176.73 1les s ILE 22 N -0.85 3.36 0.00 1.52 -4.36 -1.26 -5.12 121.20 114.49 1les s ILE 22 Ca 0.09 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1les s ILE 22 Cb -0.09 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1les s ILE 22 CO 0.02 0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.94 1les n GLY 23 N 0.75 1.19 3.26 6.27 0.00 -1.26 -5.17 105.19 110.23 1les n GLY 23 Ca -0.14 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1les n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1les s PHE 24 N -4.83 1.69 0.01 1.61 0.08 -1.26 -5.15 117.98 110.13 1les s PHE 24 Ca 0.00 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1les s PHE 24 Cb 0.00 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1les s PHE 24 CO 0.00 0.16 -0.03 0.45 -0.10 0.00 0.00 175.22 175.70 1les s SER 25 N -1.73 0.30 -0.12 1.36 0.15 -1.26 -5.16 113.70 107.25 1les s SER 25 Ca 0.05 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 1les s SER 25 Cb -0.10 0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1les s SER 25 CO 0.03 -0.11 0.41 0.00 1.20 0.00 0.00 173.24 174.78 1les s ALA 26 N -0.65 -1.03 0.19 5.45 0.00 -1.26 -5.17 121.76 119.28 1les s ALA 26 Ca -0.06 0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1les s ALA 26 Cb -0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1les s ALA 26 CO -0.00 -0.23 0.04 0.95 0.00 0.00 0.00 175.76 176.52 1les s THR 27 N -0.27 0.51 0.22 0.00 -4.23 -1.26 -5.11 115.64 105.50 1les s THR 27 Ca -0.04 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1les s THR 27 Cb -0.03 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 1les s THR 27 CO 0.02 -0.33 0.03 0.42 -0.54 0.00 0.00 174.62 174.23 1les s THR 28 N -3.78 0.72 0.00 3.99 -4.23 -1.26 -4.89 115.64 106.19 1les s THR 28 Ca 0.28 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1les s THR 28 Cb 0.07 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1les s THR 28 CO 0.06 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1les n GLY 29 N -0.36 4.30 0.23 3.99 0.00 -1.26 -4.96 105.19 107.13 1les n GLY 29 Ca -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.48 1les n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1les h ALA 30 N 1.13 1.36 -1.32 4.61 0.00 -2.08 -3.43 119.26 119.53 1les h ALA 30 Ca 0.00 -0.28 -0.52 0.00 0.00 0.00 0.00 54.91 54.12 1les h ALA 30 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1les h ALA 30 CO 0.00 0.44 -0.36 -1.21 0.00 0.00 0.00 179.25 178.12 1les s GLU 31 N -4.54 2.44 0.32 0.00 2.02 -1.26 -5.14 118.70 112.54 1les s GLU 31 Ca -0.05 -1.66 -0.19 0.00 0.02 0.00 0.00 54.97 53.09 1les s GLU 31 Cb 0.15 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 32.12 1les s GLU 31 CO 0.75 -0.29 0.81 -0.59 0.02 0.00 0.00 175.26 175.96 1les s PHE 32 N -2.55 0.01 -0.23 1.61 -0.12 -1.26 -4.70 117.98 110.74 1les s PHE 32 Ca 0.46 -0.57 -0.34 0.00 -0.05 0.00 0.00 56.93 56.43 1les s PHE 32 Cb -0.02 0.78 0.15 0.00 -0.63 0.00 0.00 43.02 43.30 1les s PHE 32 CO 0.27 -1.36 1.25 0.00 -0.05 0.00 0.00 175.22 175.33 1les s ALA 33 N -2.81 -2.09 0.01 1.99 0.00 -1.26 -5.08 121.76 112.52 1les s ALA 33 Ca 0.15 1.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.61 1les s ALA 33 Cb -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1les s ALA 33 CO 0.09 -0.47 0.65 0.00 0.00 0.00 0.00 175.76 176.03 1les s ALA 34 N -1.88 3.45 -0.14 0.00 0.00 -1.26 -4.91 121.76 117.03 1les s ALA 34 Ca 0.09 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1les s ALA 34 Cb -0.01 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1les s ALA 34 CO -0.05 0.15 -0.21 -1.01 0.00 0.00 0.00 175.76 174.64 1les s HIS 35 N -0.19 2.58 0.03 0.00 3.76 -1.26 -5.13 115.29 115.07 1les s HIS 35 Ca 0.33 -1.31 -0.03 0.00 -0.15 0.00 0.00 55.06 53.90 1les s HIS 35 Cb -0.19 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 1les s HIS 35 CO 0.19 -0.61 0.05 -1.83 -0.85 0.00 0.00 174.74 171.69 1les s GLU 36 N 0.88 0.47 -0.08 1.40 -1.05 -1.26 -5.07 118.70 113.99 1les s GLU 36 Ca -0.06 -0.68 0.03 0.00 -0.15 0.00 0.00 54.97 54.10 1les s GLU 36 Cb -0.15 0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.70 1les s GLU 36 CO -0.03 -0.10 -0.17 0.08 0.95 0.00 0.00 175.26 176.00 1les s VAL 37 N -2.10 2.79 -0.05 1.83 1.01 -1.26 -5.05 120.40 117.58 1les s VAL 37 Ca -0.10 -0.79 0.17 0.00 0.00 0.00 0.00 61.98 61.27 1les s VAL 37 Cb -0.05 -2.11 -0.27 0.00 0.00 0.00 0.00 36.38 33.96 1les s VAL 37 CO -0.03 0.56 0.34 1.41 0.00 0.00 0.00 175.10 177.38 1les n HIS 38 N 2.94 0.00 -3.52 5.22 8.25 -1.26 -5.04 115.22 121.81 1les n HIS 38 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1les n HIS 38 Cb 0.52 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 1les n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1les s SER 39 N -4.21 -0.37 -0.24 0.41 1.04 -1.26 -5.17 113.70 103.89 1les s SER 39 Ca -0.07 0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 1les s SER 39 Cb 0.10 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.66 1les s SER 39 CO 0.73 -0.55 0.60 0.86 0.98 0.00 0.00 173.24 175.86 1les s TRP 40 N -2.59 -0.85 0.03 5.02 -0.00 -1.26 -5.16 118.94 114.13 1les s TRP 40 Ca 0.03 1.80 0.02 0.00 -0.00 0.00 0.00 56.10 57.95 1les s TRP 40 Cb -0.01 0.43 -0.02 0.00 -0.00 0.00 0.00 33.47 33.88 1les s TRP 40 CO -0.06 -0.43 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.85 1les s SER 41 N 1.21 0.84 -0.08 5.86 1.04 -1.26 -5.16 113.70 116.15 1les s SER 41 Ca -0.07 -0.46 -0.12 0.00 0.48 0.00 0.00 55.95 55.79 1les s SER 41 Cb -0.06 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.10 1les s SER 41 CO -0.12 -0.14 0.29 0.12 0.98 0.00 0.00 173.24 174.37 1les s PHE 42 N -1.11 -0.26 -0.08 5.02 5.36 -1.26 -5.15 117.98 120.50 1les s PHE 42 Ca -0.07 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 56.44 1les s PHE 42 Cb -0.08 0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.73 1les s PHE 42 CO 0.00 -0.24 0.18 -1.01 -1.46 0.00 0.00 175.22 172.69 1les s HIS 43 N -0.40 -0.22 0.04 10.12 3.76 -1.26 -5.16 115.29 122.17 1les s HIS 43 Ca -0.05 0.59 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1les s HIS 43 Cb -0.03 -0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.58 1les s HIS 43 CO 0.02 -0.20 -0.12 0.45 -0.85 0.00 0.00 174.74 174.04 1les s SER 44 N 1.27 1.42 -0.11 1.40 0.15 -1.26 -5.15 113.70 111.43 1les s SER 44 Ca -0.09 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.06 1les s SER 44 Cb -0.11 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.18 1les s SER 44 CO -0.07 -0.02 0.15 -1.58 1.20 0.00 0.00 173.24 172.92 1les s GLN 45 N -1.21 0.05 -0.25 5.44 0.74 -1.26 -5.12 119.66 118.05 1les s GLN 45 Ca -0.01 0.42 -0.05 0.00 0.05 0.00 0.00 55.36 55.76 1les s GLN 45 Cb -0.08 -0.62 -0.01 0.00 1.10 0.00 0.00 33.01 33.40 1les s GLN 45 CO 0.01 -0.41 0.02 -1.17 -0.55 0.00 0.00 175.29 173.20 1les s LEU 46 N 2.27 3.34 0.00 3.68 2.96 -1.26 -4.35 118.68 125.32 1les s LEU 46 Ca 0.04 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1les s LEU 46 Cb -0.13 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1les s LEU 46 CO -0.07 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 1les n GLY 47 N 4.84 0.67 0.00 7.98 0.00 -1.26 -5.38 105.19 112.04 1les n GLY 47 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1les n GLY 47 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93