#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2e n VAL 2 N 0.00 1.71 -2.26 1.97 0.31 -1.26 -4.67 118.33 114.12 1b2e n VAL 2 Ca 0.00 -0.72 -0.42 0.00 -0.01 0.00 0.00 64.34 63.19 1b2e n VAL 2 Cb 0.00 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1b2e n VAL 2 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1b2e n ASN 3 N -3.29 4.96 -2.71 4.52 3.02 -1.26 -4.86 115.26 115.64 1b2e n ASN 3 Ca -0.26 -3.08 -0.06 0.00 -0.03 0.00 0.00 54.58 51.15 1b2e n ASN 3 Cb 1.05 -1.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.75 1b2e n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b2e n GLN 4 N 4.08 0.86 -2.65 3.52 10.64 -1.26 -5.11 117.38 127.45 1b2e n GLN 4 Ca 0.41 -1.74 -0.43 0.00 -1.83 0.00 0.00 57.00 53.41 1b2e n GLN 4 Cb 0.36 2.22 -0.02 0.00 -0.86 0.00 0.00 30.24 31.94 1b2e n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1b2e s HIS 5 N -2.87 3.15 -0.25 2.61 3.76 -1.26 -5.00 115.29 115.43 1b2e s HIS 5 Ca 0.16 1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 56.22 1b2e s HIS 5 Cb -0.04 -3.67 0.03 0.00 1.11 0.00 0.00 32.58 30.00 1b2e s HIS 5 CO 0.09 -0.76 -0.05 -0.51 -0.85 0.00 0.00 174.74 172.65 1b2e s LEU 6 N 3.63 3.22 0.09 0.89 1.43 -1.26 -5.01 118.68 121.66 1b2e s LEU 6 Ca 0.45 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1b2e s LEU 6 Cb -0.12 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1b2e s LEU 6 CO 0.15 -0.13 -0.16 0.00 0.23 0.00 0.00 176.35 176.45 1b2e n GLY 8 N 1.08 3.33 0.28 0.00 0.00 -1.26 -1.72 105.19 106.90 1b2e n GLY 8 Ca -0.20 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1b2e n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b2e h SER 9 N 1.42 0.00 -0.24 1.61 4.64 -1.99 -1.76 113.55 117.23 1b2e h SER 9 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1b2e h SER 9 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1b2e h SER 9 CO 0.00 0.04 -0.24 0.45 -0.87 0.00 0.00 176.83 176.21 1b2e h HIS 10 N 0.00 0.82 -0.10 4.77 -0.00 -1.71 -1.14 115.15 117.78 1b2e h HIS 10 Ca -0.00 -0.19 -0.20 0.00 -0.00 0.00 0.00 60.37 59.98 1b2e h HIS 10 Cb 0.10 -0.20 0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1b2e h HIS 10 CO 0.00 0.89 -0.72 1.25 -0.00 0.00 0.00 177.93 179.35 1b2e h LEU 11 N 0.63 0.81 -0.93 2.43 5.85 -1.30 -2.92 115.31 119.87 1b2e h LEU 11 Ca 0.09 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 1b2e h LEU 11 Cb 0.74 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1b2e h LEU 11 CO 0.06 1.34 0.50 0.58 -0.34 0.00 0.00 178.44 180.58 1b2e h VAL 12 N 0.33 1.26 -0.58 1.05 2.07 -1.30 -1.99 116.25 117.10 1b2e h VAL 12 Ca -0.06 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1b2e h VAL 12 Cb 1.36 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1b2e h VAL 12 CO 0.15 0.29 0.01 -0.08 0.02 0.00 0.00 177.57 177.96 1b2e h GLU 13 N 1.25 0.99 -0.36 1.57 4.81 -1.24 -1.60 114.58 120.01 1b2e h GLU 13 Ca 0.32 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1b2e h GLU 13 Cb 0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1b2e h GLU 13 CO -0.05 0.97 0.15 0.00 -0.73 0.00 0.00 179.01 179.35 1b2e h ALA 14 N 1.09 0.47 -0.84 2.92 0.00 -1.26 -1.38 119.26 120.26 1b2e h ALA 14 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1b2e h ALA 14 Cb 0.52 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1b2e h ALA 14 CO 0.03 0.05 0.42 -0.07 0.00 0.00 0.00 179.25 179.68 1b2e h LEU 15 N 0.44 1.08 -0.34 0.00 3.38 -1.23 -0.26 115.31 118.38 1b2e h LEU 15 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b2e h LEU 15 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1b2e h LEU 15 CO -0.01 0.90 0.20 0.22 0.09 0.00 0.00 178.44 179.84 1b2e h TYR 16 N 1.19 0.45 -0.30 1.13 3.20 -0.92 0.04 116.97 121.76 1b2e h TYR 16 Ca 0.29 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.00 1b2e h TYR 16 Cb 0.09 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1b2e h TYR 16 CO 0.01 0.33 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.38 1b2e h LEU 17 N 0.44 0.89 -0.06 2.82 3.38 -1.00 -2.62 115.31 119.16 1b2e h LEU 17 Ca 0.12 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1b2e h LEU 17 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1b2e h LEU 17 CO -0.02 1.22 -0.24 0.58 0.09 0.00 0.00 178.44 180.07 1b2e h VAL 18 N 0.59 1.44 0.00 1.22 2.07 -0.99 -3.32 116.25 117.25 1b2e h VAL 18 Ca 0.03 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 1b2e h VAL 18 Cb 1.02 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1b2e h VAL 18 CO 0.10 0.47 -0.46 0.00 0.02 0.00 0.00 177.57 177.69 1b2e n GLY 20 N 0.66 3.14 0.01 0.00 0.00 -0.99 -2.01 105.19 106.01 1b2e n GLY 20 Ca 0.01 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1b2e n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b2e n GLU 21 N 14.00 0.02 0.13 1.61 -0.58 -1.26 -2.10 120.64 132.46 1b2e n GLU 21 Ca 0.00 0.34 -0.01 0.00 -0.42 0.00 0.00 57.16 57.07 1b2e n GLU 21 Cb 0.00 -1.54 0.15 0.00 -0.57 0.00 0.00 31.44 29.47 1b2e n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b2e h ARG 22 N 0.00 0.00 0.00 3.49 3.08 -1.81 -3.49 114.38 115.65 1b2e h ARG 22 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1b2e h ARG 22 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1b2e h ARG 22 CO 0.00 0.64 -0.01 0.41 -1.07 0.00 0.00 179.97 179.94 1b2e n GLY 23 N 0.43 -2.14 3.84 0.04 0.00 -0.89 -5.06 105.19 101.42 1b2e n GLY 23 Ca -0.01 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 1b2e n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b2e s PHE 24 N -0.42 0.06 -0.02 1.61 -0.71 -1.26 -4.79 117.98 112.44 1b2e s PHE 24 Ca 0.00 -0.54 0.03 0.00 -1.04 0.00 0.00 56.93 55.39 1b2e s PHE 24 Cb 0.00 0.74 -0.00 0.00 -1.21 0.00 0.00 43.02 42.55 1b2e s PHE 24 CO 0.00 -1.13 -0.12 -0.59 -1.34 0.00 0.00 175.22 172.03 1b2e s PHE 25 N -2.40 1.20 -0.25 3.49 -0.71 -1.26 -5.12 117.98 112.94 1b2e s PHE 25 Ca 0.18 -0.28 0.01 0.00 -1.04 0.00 0.00 56.93 55.80 1b2e s PHE 25 Cb -0.03 -0.81 0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1b2e s PHE 25 CO 0.07 -0.08 -0.10 -0.47 -1.34 0.00 0.00 175.22 173.30 1b2e s TYR 26 N -0.05 3.11 -0.44 3.49 5.04 -1.26 -5.07 117.35 122.18 1b2e s TYR 26 Ca 0.00 -1.91 0.03 0.00 -2.44 0.00 0.00 57.07 52.75 1b2e s TYR 26 Cb -0.08 -1.99 0.12 0.00 0.35 0.00 0.00 41.96 40.37 1b2e s TYR 26 CO 0.00 -0.81 0.20 0.99 -1.34 0.00 0.00 175.55 174.60 1b2e s THR 27 N 1.22 1.92 0.47 4.34 2.01 -1.26 -4.97 115.64 119.37 1b2e s THR 27 Ca -0.03 -2.69 0.13 0.00 0.31 0.00 0.00 61.69 59.41 1b2e s THR 27 Cb -0.18 -2.36 0.28 0.00 0.01 0.00 0.00 72.50 70.25 1b2e s THR 27 CO -0.06 -0.79 2.09 -0.65 -0.69 0.00 0.00 174.62 174.52 1b2e h PRO 28 N 6.92 0.26 -3.01 4.92 0.11 -2.05 -3.26 132.00 135.89 1b2e h PRO 28 Ca -0.05 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.35 1b2e h PRO 28 Cb 0.94 -0.06 -0.37 0.00 0.11 0.00 0.00 31.00 31.62 1b2e h PRO 28 CO 0.56 0.17 -0.13 1.63 -0.21 0.00 0.00 178.00 180.02 1b2e n LYS 29 N -4.50 2.77 0.00 1.05 4.01 -1.26 -5.24 118.16 114.99 1b2e n LYS 29 Ca 0.01 -4.53 0.04 0.00 -0.51 0.00 0.00 58.31 53.32 1b2e n LYS 29 Cb 0.13 -2.38 0.03 0.00 -0.51 0.00 0.00 35.03 32.30 1b2e n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29