#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loa s SER 3 N 0.00 1.57 -0.18 8.00 0.01 -1.26 -5.14 113.70 116.71 1loa s SER 3 Ca 0.00 -1.46 -0.11 0.00 1.31 0.00 0.00 55.95 55.69 1loa s SER 3 Cb 0.00 0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.52 1loa s SER 3 CO 0.00 -0.78 0.44 -0.31 0.41 0.00 0.00 173.24 173.00 1loa s TYR 4 N -3.61 -0.62 0.06 2.43 1.51 -1.26 -5.17 117.35 110.69 1loa s TYR 4 Ca 0.36 1.34 0.01 0.00 -1.01 0.00 0.00 57.07 57.77 1loa s TYR 4 Cb 0.07 0.28 -0.03 0.00 -0.11 0.00 0.00 41.96 42.16 1loa s TYR 4 CO 0.15 -0.34 -0.06 0.99 -1.11 0.00 0.00 175.55 175.19 1loa s THR 5 N 1.19 0.46 -0.07 -0.71 2.01 -1.26 -5.14 115.64 112.12 1loa s THR 5 Ca -0.08 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 1loa s THR 5 Cb -0.07 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1loa s THR 5 CO -0.11 -0.65 0.28 -0.22 -0.69 0.00 0.00 174.62 173.23 1loa s LEU 6 N -2.23 0.96 0.04 4.42 2.96 -1.26 -5.17 118.68 118.41 1loa s LEU 6 Ca -0.02 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1loa s LEU 6 Cb -0.02 1.03 -0.03 0.00 0.50 0.00 0.00 46.19 47.66 1loa s LEU 6 CO -0.03 -0.22 -0.04 0.20 -1.32 0.00 0.00 176.35 174.94 1loa s ASN 7 N -0.41 0.50 0.13 3.68 0.02 -1.26 -5.18 114.94 112.42 1loa s ASN 7 Ca -0.05 -0.73 -0.25 0.00 -1.02 0.00 0.00 52.86 50.82 1loa s ASN 7 Cb -0.03 0.12 0.07 0.00 0.02 0.00 0.00 41.25 41.43 1loa s ASN 7 CO 0.02 -0.40 0.76 -1.61 0.02 0.00 0.00 177.10 175.88 1loa s GLU 8 N -2.54 1.21 -0.15 -0.60 0.41 -1.26 -5.13 118.70 110.64 1loa s GLU 8 Ca -0.05 -0.53 -0.11 0.00 -0.41 0.00 0.00 54.97 53.87 1loa s GLU 8 Cb -0.02 0.50 -0.05 0.00 -1.78 0.00 0.00 34.13 32.78 1loa s GLU 8 CO -0.04 -0.54 0.21 0.08 -0.49 0.00 0.00 175.26 174.48 1loa s VAL 9 N -3.52 5.37 -0.34 2.63 1.01 -1.26 -5.02 120.40 119.27 1loa s VAL 9 Ca 0.05 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1loa s VAL 9 Cb -0.02 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 33.00 1loa s VAL 9 CO -0.06 0.48 0.43 0.54 0.00 0.00 0.00 175.10 176.48 1loa s VAL 10 N -0.09 -0.57 -0.93 2.92 0.11 -1.26 -5.06 120.40 115.51 1loa s VAL 10 Ca 0.14 -0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 58.44 1loa s VAL 10 Cb -0.12 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1loa s VAL 10 CO 0.03 -0.36 1.89 -2.16 -3.33 0.00 0.00 175.10 171.17 1loa s PRO 11 N 2.04 2.68 0.55 1.54 0.04 -1.26 -4.80 135.00 135.80 1loa s PRO 11 Ca 0.13 -0.44 0.34 0.00 0.04 0.00 0.00 61.00 61.07 1loa s PRO 11 Cb -0.12 -5.11 1.50 0.00 0.04 0.00 0.00 34.50 30.81 1loa s PRO 11 CO -0.18 -3.26 1.83 -0.07 0.04 0.00 0.00 177.00 175.36 1loa h LEU 12 N 17.24 0.00 0.00 -3.56 3.38 -1.98 0.24 115.31 130.63 1loa h LEU 12 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1loa h LEU 12 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1loa h LEU 12 CO 1.24 0.00 0.00 1.17 0.09 0.00 0.00 178.44 180.94 1loa n LYS 13 N -4.12 0.12 -0.02 1.13 4.81 -1.26 -1.50 118.16 117.31 1loa n LYS 13 Ca 0.21 0.21 -0.01 0.00 -0.87 0.00 0.00 58.31 57.85 1loa n LYS 13 Cb 1.11 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 34.53 1loa n LYS 13 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1loa n GLU 14 N -1.29 0.65 -0.07 1.64 -0.58 0.83 -4.59 120.64 117.23 1loa n GLU 14 Ca 0.04 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.74 1loa n GLU 14 Cb 0.07 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.68 0.00 -4.32 -0.32 3.72 -0.56 -5.05 117.46 108.24 1loa n PHE 15 Ca -0.16 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.00 1loa n PHE 15 Cb 0.88 -0.65 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 1loa n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1loa s VAL 16 N -2.33 3.24 1.22 -4.37 -7.23 -0.65 -5.12 120.40 105.16 1loa s VAL 16 Ca -0.13 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 1loa s VAL 16 Cb 0.05 -2.69 0.30 0.00 0.56 0.00 0.00 36.38 34.59 1loa s VAL 16 CO 0.49 -0.30 1.01 -2.84 -0.31 0.00 0.00 175.10 173.15 1loa s PRO 17 N -3.41 -1.38 0.18 4.82 0.02 -1.26 -4.79 135.00 129.19 1loa s PRO 17 Ca 0.29 0.54 -0.12 0.00 0.02 0.00 0.00 61.00 61.73 1loa s PRO 17 Cb -0.07 -1.52 0.10 0.00 0.02 0.00 0.00 34.50 33.03 1loa s PRO 17 CO 0.18 -3.95 1.81 0.93 -0.33 0.00 0.00 177.00 175.63 1loa h GLU 18 N -2.77 0.88 -6.10 5.54 5.08 -1.99 -3.42 114.58 111.80 1loa h GLU 18 Ca -0.56 -0.10 -0.67 0.00 -1.00 0.00 0.00 59.36 57.03 1loa h GLU 18 Cb 1.34 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1loa h GLU 18 CO 0.45 0.65 -0.64 -1.58 -1.00 0.00 0.00 179.01 176.90 1loa s TRP 19 N -5.89 3.10 0.27 4.33 0.52 -1.26 -5.13 118.94 114.88 1loa s TRP 19 Ca -0.13 0.11 -0.04 0.00 0.02 0.00 0.00 56.10 56.06 1loa s TRP 19 Cb 0.13 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 1loa s TRP 19 CO 0.78 0.46 0.36 0.14 0.02 0.00 0.00 176.95 178.71 1loa s VAL 20 N -1.02 0.00 -0.02 4.03 -7.23 -1.26 -5.13 120.40 109.76 1loa s VAL 20 Ca 0.18 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1loa s VAL 20 Cb -0.11 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 1loa s VAL 20 CO 0.08 0.00 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.61 1loa s ARG 21 N -3.70 1.12 0.10 4.82 0.52 -1.26 -5.14 118.95 115.41 1loa s ARG 21 Ca 0.31 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1loa s ARG 21 Cb 0.02 -1.06 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1loa s ARG 21 CO 0.15 0.25 0.11 0.96 0.02 0.00 0.00 175.30 176.79 1loa s ILE 22 N -0.18 4.63 0.01 1.52 -4.36 -1.26 -5.11 121.20 116.45 1loa s ILE 22 Ca 0.03 -0.81 -0.05 0.00 -0.26 0.00 0.00 60.65 59.56 1loa s ILE 22 Cb -0.06 -3.27 0.02 0.00 1.25 0.00 0.00 42.46 40.39 1loa s ILE 22 CO -0.00 0.06 0.23 0.61 0.24 0.00 0.00 174.94 176.08 1loa n GLY 23 N 0.20 0.76 3.48 6.27 0.00 -1.26 -5.17 105.19 109.47 1loa n GLY 23 Ca -0.08 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.66 2.25 0.04 1.61 0.08 -1.26 -5.16 117.98 111.87 1loa s PHE 24 Ca 0.05 -0.47 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 1loa s PHE 24 Cb -0.00 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.28 1loa s PHE 24 CO 0.00 0.58 0.08 0.45 -0.10 0.00 0.00 175.22 176.23 1loa s SER 25 N -3.53 0.20 0.01 1.36 0.15 -1.26 -5.17 113.70 105.46 1loa s SER 25 Ca 0.30 -0.54 -0.28 0.00 0.70 0.00 0.00 55.95 56.13 1loa s SER 25 Cb -0.00 0.21 0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1loa s SER 25 CO 0.15 -0.49 0.82 0.00 1.20 0.00 0.00 173.24 174.91 1loa s ALA 26 N -2.54 -1.78 -0.05 5.45 0.00 -1.26 -5.15 121.76 116.44 1loa s ALA 26 Ca -0.06 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1loa s ALA 26 Cb -0.02 0.35 0.10 0.00 0.00 0.00 0.00 23.12 23.55 1loa s ALA 26 CO -0.04 -0.63 0.85 0.95 0.00 0.00 0.00 175.76 176.88 1loa s THR 27 N -2.85 0.00 0.44 0.00 -4.23 -1.26 -5.15 115.64 102.60 1loa s THR 27 Ca 0.02 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1loa s THR 27 Cb -0.01 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 1loa s THR 27 CO -0.07 0.00 0.11 0.42 -0.54 0.00 0.00 174.62 174.54 1loa s THR 28 N -2.11 0.67 0.00 3.99 -4.23 -1.26 -4.88 115.64 107.82 1loa s THR 28 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1loa s THR 28 Cb -0.01 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1loa s THR 28 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1loa n GLY 29 N -1.03 4.05 0.32 3.99 0.00 -1.26 -4.95 105.19 106.31 1loa n GLY 29 Ca -0.10 -0.29 0.17 0.00 0.00 0.00 0.00 46.02 45.81 1loa n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loa h ALA 30 N 1.75 1.58 -1.97 4.61 0.00 -2.08 -3.41 119.26 119.74 1loa h ALA 30 Ca 0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1loa h ALA 30 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1loa h ALA 30 CO 0.00 -0.16 -0.62 -1.21 0.00 0.00 0.00 179.25 177.26 1loa s GLU 31 N -4.54 2.13 0.10 0.00 0.41 -1.26 -5.16 118.70 110.37 1loa s GLU 31 Ca -0.05 -1.67 -0.08 0.00 -0.41 0.00 0.00 54.97 52.76 1loa s GLU 31 Cb 0.15 -1.99 -0.01 0.00 -1.78 0.00 0.00 34.13 30.50 1loa s GLU 31 CO 0.51 0.18 0.19 -0.59 -0.49 0.00 0.00 175.26 175.05 1loa s PHE 32 N -2.48 0.23 -0.11 1.61 -0.12 -1.26 -4.70 117.98 111.14 1loa s PHE 32 Ca 0.34 -0.66 -0.30 0.00 -0.05 0.00 0.00 56.93 56.27 1loa s PHE 32 Cb -0.02 -0.09 0.08 0.00 -0.63 0.00 0.00 43.02 42.36 1loa s PHE 32 CO 0.20 -0.56 0.74 0.00 -0.05 0.00 0.00 175.22 175.55 1loa s ALA 33 N -3.88 -1.80 0.38 1.99 0.00 -1.26 -5.09 121.76 112.10 1loa s ALA 33 Ca 0.07 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.29 1loa s ALA 33 Cb 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 1loa s ALA 33 CO -0.09 -0.35 0.97 0.00 0.00 0.00 0.00 175.76 176.28 1loa s ALA 34 N -0.86 3.11 -0.09 0.00 0.00 -1.26 -4.94 121.76 117.72 1loa s ALA 34 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1loa s ALA 34 Cb -0.01 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1loa s ALA 34 CO 0.07 0.08 -0.08 -1.01 0.00 0.00 0.00 175.76 174.82 1loa s HIS 35 N -1.87 1.29 0.00 0.00 3.76 -1.26 -5.13 115.29 112.08 1loa s HIS 35 Ca 0.57 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 1loa s HIS 35 Cb -0.15 -1.07 -0.00 0.00 1.11 0.00 0.00 32.58 32.47 1loa s HIS 35 CO 0.20 -0.39 -0.01 -1.21 -0.85 0.00 0.00 174.74 172.48 1loa s GLU 36 N 1.36 0.07 -0.03 1.40 2.02 -1.26 -5.09 118.70 117.18 1loa s GLU 36 Ca -0.02 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 1loa s GLU 36 Cb -0.14 -0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1loa s GLU 36 CO -0.04 0.01 0.07 0.08 0.02 0.00 0.00 175.26 175.40 1loa s VAL 37 N -0.12 4.72 -0.17 2.63 1.01 -1.26 -5.02 120.40 122.19 1loa s VAL 37 Ca -0.01 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1loa s VAL 37 Cb -0.01 -3.12 -0.15 0.00 0.00 0.00 0.00 36.38 33.10 1loa s VAL 37 CO -0.00 0.41 0.30 0.18 0.00 0.00 0.00 175.10 175.99 1loa n LEU 38 N 1.39 0.16 -3.65 3.92 4.32 -1.26 -5.07 117.00 116.81 1loa n LEU 38 Ca -0.14 -0.17 -0.06 0.00 -0.02 0.00 0.00 56.01 55.62 1loa n LEU 38 Cb 0.53 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.31 1loa n LEU 38 CO 0.36 0.04 0.69 -0.94 -1.22 0.00 0.00 177.39 176.32 1loa s SER 39 N -2.80 -0.27 -0.29 -1.43 1.04 -1.26 -5.17 113.70 103.52 1loa s SER 39 Ca -0.01 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.03 1loa s SER 39 Cb 0.07 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.77 1loa s SER 39 CO 0.43 -0.81 0.80 0.86 0.98 0.00 0.00 173.24 175.50 1loa s TRP 40 N -3.26 -0.93 -0.02 5.02 -0.00 -1.26 -5.16 118.94 113.33 1loa s TRP 40 Ca 0.09 1.76 0.06 0.00 -0.00 0.00 0.00 56.10 58.02 1loa s TRP 40 Cb -0.01 0.55 -0.01 0.00 -0.00 0.00 0.00 33.47 34.00 1loa s TRP 40 CO -0.03 -0.46 -0.20 -0.47 -0.00 0.00 0.00 176.95 175.79 1loa s TYR 41 N 1.88 1.83 -0.12 5.86 5.04 -1.26 -5.15 117.35 125.44 1loa s TYR 41 Ca -0.08 -0.36 -0.15 0.00 -2.44 0.00 0.00 57.07 54.03 1loa s TYR 41 Cb -0.06 -1.18 0.04 0.00 0.35 0.00 0.00 41.96 41.10 1loa s TYR 41 CO -0.18 -0.05 0.40 0.12 -1.34 0.00 0.00 175.55 174.51 1loa s PHE 42 N -0.43 -0.40 -0.10 4.97 2.19 -1.26 -5.15 117.98 117.80 1loa s PHE 42 Ca 0.07 0.93 -0.06 0.00 0.33 0.00 0.00 56.93 58.19 1loa s PHE 42 Cb -0.08 0.15 0.04 0.00 -1.31 0.00 0.00 43.02 41.82 1loa s PHE 42 CO -0.00 -0.27 0.23 -1.58 1.83 0.00 0.00 175.22 175.43 1loa s HIS 43 N -0.18 -0.29 0.12 10.12 2.46 -1.26 -5.17 115.29 121.09 1loa s HIS 43 Ca -0.03 0.71 -0.04 0.00 0.47 0.00 0.00 55.06 56.16 1loa s HIS 43 Cb -0.03 0.06 -0.03 0.00 -0.13 0.00 0.00 32.58 32.45 1loa s HIS 43 CO 0.02 -0.19 0.12 -1.54 -2.47 0.00 0.00 174.74 170.68 1loa s SER 44 N 0.83 0.24 -0.06 9.88 1.04 -1.26 -5.16 113.70 119.22 1loa s SER 44 Ca -0.06 -1.02 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 1loa s SER 44 Cb -0.07 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.42 1loa s SER 44 CO -0.05 -0.76 0.51 -1.83 0.98 0.00 0.00 173.24 172.10 1loa s GLU 45 N -3.99 0.85 -0.24 4.02 -1.05 -1.26 -5.14 118.70 111.89 1loa s GLU 45 Ca 0.18 0.14 -0.05 0.00 -0.15 0.00 0.00 54.97 55.09 1loa s GLU 45 Cb 0.06 0.39 0.13 0.00 -0.44 0.00 0.00 34.13 34.27 1loa s GLU 45 CO -0.02 -0.24 0.46 -1.17 0.95 0.00 0.00 175.26 175.25 1loa s LEU 46 N -1.06 -0.82 0.79 1.83 2.96 -1.26 -5.15 118.68 115.98 1loa s LEU 46 Ca -0.11 0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 1loa s LEU 46 Cb -0.03 1.53 0.07 0.00 0.50 0.00 0.00 46.19 48.26 1loa s LEU 46 CO 0.07 -0.26 1.09 0.00 -1.32 0.00 0.00 176.35 175.93 1loa s ALA 47 N 2.67 2.24 0.00 5.97 0.00 -1.26 -5.38 121.76 126.00 1loa s ALA 47 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1loa s ALA 47 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1loa s ALA 47 CO -0.16 -1.73 0.42 0.41 0.00 0.00 0.00 175.76 174.70