#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loa s THR 2 N 0.00 1.25 0.15 2.62 2.01 -1.26 -5.13 115.64 115.28 1loa s THR 2 Ca 0.00 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1loa s THR 2 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1loa s THR 2 CO 0.00 0.40 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.76 1loa s SER 3 N 1.58 2.17 -0.07 3.53 0.01 -1.26 -5.16 113.70 114.50 1loa s SER 3 Ca 0.04 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.35 1loa s SER 3 Cb -0.13 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.05 1loa s SER 3 CO -0.09 -0.17 0.16 -0.31 0.41 0.00 0.00 173.24 173.24 1loa s TYR 4 N -2.55 -0.19 0.05 2.43 2.02 -1.26 -5.17 117.35 112.68 1loa s TYR 4 Ca 0.14 0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 57.34 1loa s TYR 4 Cb -0.03 0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 1loa s TYR 4 CO 0.04 -0.14 -0.04 0.99 -1.57 0.00 0.00 175.55 174.83 1loa s THR 5 N 0.67 0.32 -0.26 -0.71 2.01 -1.26 -5.15 115.64 111.26 1loa s THR 5 Ca -0.05 -1.63 -0.10 0.00 0.31 0.00 0.00 61.69 60.22 1loa s THR 5 Cb -0.06 -1.28 0.11 0.00 0.01 0.00 0.00 72.50 71.28 1loa s THR 5 CO -0.03 -0.85 0.57 -0.22 -0.69 0.00 0.00 174.62 173.40 1loa s LEU 6 N -2.60 -0.91 0.24 4.42 2.96 -1.26 -5.16 118.68 116.36 1loa s LEU 6 Ca 0.03 1.36 0.09 0.00 -0.22 0.00 0.00 54.13 55.39 1loa s LEU 6 Cb 0.03 1.99 -0.04 0.00 0.50 0.00 0.00 46.19 48.67 1loa s LEU 6 CO -0.07 -0.22 0.02 0.20 -1.32 0.00 0.00 176.35 174.95 1loa s ASN 7 N 2.55 4.69 -0.18 3.68 -0.87 -1.26 -5.13 114.94 118.43 1loa s ASN 7 Ca -0.06 -0.54 -0.28 0.00 -1.57 0.00 0.00 52.86 50.41 1loa s ASN 7 Cb -0.11 -0.94 0.08 0.00 -0.02 0.00 0.00 41.25 40.26 1loa s ASN 7 CO -0.17 0.02 0.75 -0.70 -2.57 0.00 0.00 177.10 174.43 1loa s GLU 8 N -3.50 0.88 -0.08 -0.60 2.56 -1.26 -5.13 118.70 111.58 1loa s GLU 8 Ca 0.30 0.62 -0.26 0.00 0.00 0.00 0.00 54.97 55.63 1loa s GLU 8 Cb -0.07 0.42 -0.03 0.00 2.00 0.00 0.00 34.13 36.45 1loa s GLU 8 CO 0.20 -0.19 0.82 0.08 -0.56 0.00 0.00 175.26 175.60 1loa s VAL 9 N -0.35 4.95 -0.32 3.70 1.01 -1.26 -5.03 120.40 123.10 1loa s VAL 9 Ca -0.04 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 1loa s VAL 9 Cb -0.03 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.32 1loa s VAL 9 CO 0.04 0.16 0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1loa s VAL 10 N 1.25 0.41 -0.95 2.92 1.01 -1.26 -5.07 120.40 118.71 1loa s VAL 10 Ca 0.42 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1loa s VAL 10 Cb -0.18 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1loa s VAL 10 CO 0.19 -0.77 1.85 -2.16 0.00 0.00 0.00 175.10 174.21 1loa s PRO 11 N 1.62 2.77 0.60 2.72 0.04 -1.26 -4.75 135.00 136.73 1loa s PRO 11 Ca 0.11 -0.54 0.29 0.00 0.04 0.00 0.00 61.00 60.91 1loa s PRO 11 Cb -0.18 -5.14 1.50 0.00 0.04 0.00 0.00 34.50 30.72 1loa s PRO 11 CO -0.24 -3.19 1.91 -0.07 0.04 0.00 0.00 177.00 175.46 1loa h LEU 12 N 16.84 0.00 -2.41 -3.56 4.07 -1.98 0.99 115.31 129.25 1loa h LEU 12 Ca 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1loa h LEU 12 Cb 1.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 1loa h LEU 12 CO 1.26 0.00 -0.02 0.50 -1.08 0.00 0.00 178.44 179.10 1loa h LYS 13 N 0.00 0.00 0.00 1.13 3.64 -1.86 -2.51 116.57 116.97 1loa h LYS 13 Ca 0.19 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.37 1loa h LYS 13 Cb 1.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1loa h LYS 13 CO -0.00 0.02 -1.74 0.39 -2.27 0.00 0.00 179.45 175.84 1loa n GLU 14 N -3.20 0.64 -0.08 1.90 -0.58 0.34 -4.52 120.64 115.15 1loa n GLU 14 Ca -0.02 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 1loa n GLU 14 Cb 0.16 -1.70 -0.15 0.00 -0.57 0.00 0.00 31.44 29.18 1loa n GLU 14 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1loa n PHE 15 N -2.76 0.27 -4.49 -0.32 3.72 -1.13 -5.02 117.46 107.73 1loa n PHE 15 Ca -0.14 0.10 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 1loa n PHE 15 Cb 0.88 -1.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.26 1loa n PHE 15 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1loa s VAL 16 N -2.52 3.48 1.01 -4.37 1.01 -0.96 -5.13 120.40 112.93 1loa s VAL 16 Ca -0.10 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1loa s VAL 16 Cb 0.07 -2.51 0.20 0.00 0.00 0.00 0.00 36.38 34.13 1loa s VAL 16 CO 0.82 0.37 1.08 -2.16 0.00 0.00 0.00 175.10 175.21 1loa s PRO 17 N -1.46 0.32 0.11 2.72 0.04 -1.26 -4.79 135.00 130.69 1loa s PRO 17 Ca 0.17 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1loa s PRO 17 Cb -0.11 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1loa s PRO 17 CO 0.07 -2.93 1.72 0.93 0.04 0.00 0.00 177.00 176.84 1loa h GLU 18 N -2.06 0.02 -5.50 4.56 5.08 -1.97 -3.39 114.58 111.32 1loa h GLU 18 Ca -0.53 -0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.19 1loa h GLU 18 Cb 1.30 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.39 1loa h GLU 18 CO 0.50 0.01 -0.59 -1.58 -1.00 0.00 0.00 179.01 176.36 1loa s TRP 19 N -6.20 3.23 0.34 4.33 0.52 -1.26 -5.12 118.94 114.79 1loa s TRP 19 Ca -0.13 0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.12 1loa s TRP 19 Cb 0.08 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1loa s TRP 19 CO 0.68 0.27 0.14 0.14 0.02 0.00 0.00 176.95 178.19 1loa s VAL 20 N -0.10 0.53 0.13 4.03 -7.23 -1.26 -5.17 120.40 111.33 1loa s VAL 20 Ca 0.06 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1loa s VAL 20 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1loa s VAL 20 CO 0.01 0.00 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.54 1loa s ARG 21 N -3.78 1.05 0.26 4.82 0.52 -1.26 -5.17 118.95 115.39 1loa s ARG 21 Ca 0.32 -1.28 0.07 0.00 -0.52 0.00 0.00 55.73 54.32 1loa s ARG 21 Cb 0.05 -0.91 -0.05 0.00 0.52 0.00 0.00 34.95 34.55 1loa s ARG 21 CO 0.16 0.17 -0.08 0.96 0.02 0.00 0.00 175.30 176.53 1loa s ILE 22 N -2.27 1.65 -2.05 1.52 -4.36 -1.26 -5.14 121.20 109.30 1loa s ILE 22 Ca 0.10 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1loa s ILE 22 Cb -0.04 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.32 1loa s ILE 22 CO 0.03 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.45 1loa n GLY 23 N -0.53 -1.09 3.39 6.27 0.00 -1.26 -5.15 105.19 106.82 1loa n GLY 23 Ca -0.06 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1loa n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1loa s PHE 24 N -3.00 2.05 0.06 1.61 0.08 -1.26 -5.16 117.98 112.37 1loa s PHE 24 Ca 0.00 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 1loa s PHE 24 Cb 0.00 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1loa s PHE 24 CO 0.00 0.46 -0.04 -1.54 -0.10 0.00 0.00 175.22 174.00 1loa s SER 25 N -2.87 0.70 0.13 1.36 1.04 -1.26 -5.17 113.70 107.63 1loa s SER 25 Ca 0.20 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.50 1loa s SER 25 Cb -0.06 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.25 1loa s SER 25 CO 0.09 -0.54 0.39 0.00 0.98 0.00 0.00 173.24 174.16 1loa s ALA 26 N -3.70 -0.83 0.09 5.32 0.00 -1.26 -5.17 121.76 116.20 1loa s ALA 26 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 1loa s ALA 26 Cb 0.06 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1loa s ALA 26 CO -0.08 -0.65 0.30 0.95 0.00 0.00 0.00 175.76 176.28 1loa s THR 27 N -3.82 0.10 0.30 0.00 -4.23 -1.26 -5.13 115.64 101.59 1loa s THR 27 Ca 0.04 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1loa s THR 27 Cb 0.02 -1.15 -0.06 0.00 1.34 0.00 0.00 72.50 72.65 1loa s THR 27 CO -0.10 -0.44 0.07 0.42 -0.54 0.00 0.00 174.62 174.02 1loa s THR 28 N -3.43 0.98 0.00 3.99 -4.23 -1.26 -4.89 115.64 106.79 1loa s THR 28 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1loa s THR 28 Cb 0.02 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1loa s THR 28 CO -0.09 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1loa n GLY 29 N -0.59 3.45 0.03 3.99 0.00 -1.26 -4.95 105.19 105.87 1loa n GLY 29 Ca -0.02 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1loa n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loa n ALA 30 N -3.00 3.39 -2.46 4.61 0.00 -1.26 -4.76 120.51 117.03 1loa n ALA 30 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 1loa n ALA 30 Cb 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 1loa n ALA 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1loa s GLU 31 N -2.93 1.63 0.16 0.00 2.02 -1.26 -5.15 118.70 113.16 1loa s GLU 31 Ca 0.13 -1.80 -0.10 0.00 0.02 0.00 0.00 54.97 53.22 1loa s GLU 31 Cb 0.18 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.96 1loa s GLU 31 CO 0.66 0.15 0.30 -0.59 0.02 0.00 0.00 175.26 175.80 1loa s PHE 32 N -2.78 0.28 -0.10 1.61 -0.71 -1.26 -4.71 117.98 110.31 1loa s PHE 32 Ca 0.30 -0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 55.24 1loa s PHE 32 Cb 0.01 0.01 0.11 0.00 -1.21 0.00 0.00 43.02 41.94 1loa s PHE 32 CO 0.13 -0.72 0.91 0.00 -1.34 0.00 0.00 175.22 174.21 1loa s ALA 33 N -3.94 -1.87 0.23 1.99 0.00 -1.26 -5.09 121.76 111.83 1loa s ALA 33 Ca 0.14 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1loa s ALA 33 Cb 0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 1loa s ALA 33 CO -0.02 -0.43 1.07 0.00 0.00 0.00 0.00 175.76 176.38 1loa s ALA 34 N -1.73 3.38 -0.27 0.00 0.00 -1.26 -4.94 121.76 116.95 1loa s ALA 34 Ca -0.01 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 1loa s ALA 34 Cb -0.01 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.88 1loa s ALA 34 CO -0.00 -0.12 0.05 -1.01 0.00 0.00 0.00 175.76 174.68 1loa s HIS 35 N -0.81 1.77 0.05 0.00 3.76 -1.26 -5.12 115.29 113.68 1loa s HIS 35 Ca 0.46 -1.58 0.07 0.00 -0.15 0.00 0.00 55.06 53.86 1loa s HIS 35 Cb -0.30 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 1loa s HIS 35 CO 0.37 -0.79 -0.21 -1.21 -0.85 0.00 0.00 174.74 172.05 1loa s GLU 36 N 1.60 1.35 -0.16 1.40 2.02 -1.26 -5.02 118.70 118.63 1loa s GLU 36 Ca 0.04 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 1loa s GLU 36 Cb -0.18 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 1loa s GLU 36 CO -0.16 0.37 -0.12 0.08 0.02 0.00 0.00 175.26 175.45 1loa s VAL 37 N -0.85 3.01 -0.16 2.63 1.01 -1.26 -5.03 120.40 119.76 1loa s VAL 37 Ca 0.07 -0.65 0.20 0.00 0.00 0.00 0.00 61.98 61.60 1loa s VAL 37 Cb -0.09 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 33.88 1loa s VAL 37 CO 0.02 0.50 0.82 0.18 0.00 0.00 0.00 175.10 176.62 1loa n LEU 38 N 3.98 0.65 -3.60 3.92 4.32 -1.26 -5.02 117.00 119.98 1loa n LEU 38 Ca -0.18 0.26 -0.06 0.00 -0.02 0.00 0.00 56.01 56.01 1loa n LEU 38 Cb 0.52 0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 1loa n LEU 38 CO 0.30 -0.02 0.73 -0.94 -1.22 0.00 0.00 177.39 176.23 1loa s SER 39 N -5.33 -0.28 -0.15 -1.43 1.04 -1.26 -5.16 113.70 101.12 1loa s SER 39 Ca -0.03 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.14 1loa s SER 39 Cb 0.10 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1loa s SER 39 CO 0.82 -0.69 0.39 0.86 0.98 0.00 0.00 173.24 175.60 1loa s TRP 40 N -3.12 -0.50 -0.01 5.02 -0.00 -1.26 -5.14 118.94 113.93 1loa s TRP 40 Ca 0.08 1.13 0.02 0.00 -0.00 0.00 0.00 56.10 57.33 1loa s TRP 40 Cb -0.01 0.19 -0.00 0.00 -0.00 0.00 0.00 33.47 33.65 1loa s TRP 40 CO -0.05 -0.27 -0.08 -0.47 -0.00 0.00 0.00 176.95 176.08 1loa s TYR 41 N 0.82 0.77 -0.03 5.86 5.04 -1.26 -5.16 117.35 123.39 1loa s TYR 41 Ca -0.05 -0.16 -0.05 0.00 -2.44 0.00 0.00 57.07 54.37 1loa s TYR 41 Cb -0.06 -0.53 0.01 0.00 0.35 0.00 0.00 41.96 41.73 1loa s TYR 41 CO -0.06 -0.05 0.12 0.12 -1.34 0.00 0.00 175.55 174.34 1loa s PHE 42 N -0.01 -0.07 -0.02 4.97 2.19 -1.26 -5.15 117.98 118.63 1loa s PHE 42 Ca 0.00 0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.44 1loa s PHE 42 Cb -0.05 0.01 0.02 0.00 -1.31 0.00 0.00 43.02 41.69 1loa s PHE 42 CO -0.00 -0.13 0.00 -1.58 1.83 0.00 0.00 175.22 175.34 1loa s HIS 43 N -0.40 0.19 0.04 10.12 2.46 -1.26 -5.16 115.29 121.28 1loa s HIS 43 Ca -0.05 0.03 0.02 0.00 0.47 0.00 0.00 55.06 55.53 1loa s HIS 43 Cb -0.03 -0.27 -0.03 0.00 -0.13 0.00 0.00 32.58 32.12 1loa s HIS 43 CO 0.00 -0.08 -0.07 -1.54 -2.47 0.00 0.00 174.74 170.58 1loa s SER 44 N 0.74 0.81 0.01 9.88 1.04 -1.26 -5.16 113.70 119.76 1loa s SER 44 Ca -0.07 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1loa s SER 44 Cb -0.10 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1loa s SER 44 CO -0.02 -0.24 -0.03 -0.70 0.98 0.00 0.00 173.24 173.23 1loa s GLU 45 N -1.81 0.24 -0.09 4.02 2.12 -1.26 -5.15 118.70 116.78 1loa s GLU 45 Ca -0.08 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1loa s GLU 45 Cb -0.08 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.23 1loa s GLU 45 CO -0.00 0.02 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.49 1loa s LEU 46 N -0.62 1.23 0.00 2.70 2.96 -1.26 -5.36 118.68 118.33 1loa s LEU 46 Ca -0.05 -0.25 0.21 0.00 -0.22 0.00 0.00 54.13 53.81 1loa s LEU 46 Cb -0.04 -0.74 1.24 0.00 0.50 0.00 0.00 46.19 47.14 1loa s LEU 46 CO -0.00 -0.09 1.62 0.00 -1.32 0.00 0.00 176.35 176.56