#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 3.64 0.62 2.98 0.00 -1.26 -4.96 121.76 122.77 1bal s ALA 2 Ca 0.00 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1bal s ALA 2 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 1bal s ALA 2 CO 0.00 -1.20 0.76 0.43 0.00 0.00 0.00 175.76 175.75 1bal n SER 3 N 6.60 -0.13 -0.20 0.00 7.64 -1.26 -4.77 113.62 121.49 1bal n SER 3 Ca 0.15 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1bal n SER 3 Cb 0.44 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1bal n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bal n LEU 4 N -0.36 0.27 0.00 -3.43 -0.00 -1.26 -2.79 117.00 109.42 1bal n LEU 4 Ca 0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1bal n LEU 4 Cb 0.48 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1bal n LEU 4 CO 0.50 0.07 -0.31 -0.62 -0.00 0.00 0.00 177.39 177.02 1bal n GLU 5 N -0.22 1.59 -2.27 1.47 1.02 -1.26 -4.89 120.64 116.07 1bal n GLU 5 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1bal n GLU 5 Cb 0.07 -0.81 -0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1bal n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bal n GLU 6 N -1.67 3.00 -0.68 3.49 1.02 -1.12 -4.79 120.64 119.89 1bal n GLU 6 Ca 0.00 -3.01 -0.06 0.00 -0.02 0.00 0.00 57.16 54.07 1bal n GLU 6 Cb 0.31 -3.43 -0.08 0.00 -0.02 0.00 0.00 31.44 28.21 1bal n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bal n GLN 7 N 7.64 1.36 -2.44 3.49 10.64 -1.26 -4.65 117.38 132.17 1bal n GLN 7 Ca 0.50 -0.49 -0.43 0.00 -1.83 0.00 0.00 57.00 54.75 1bal n GLN 7 Cb 0.44 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1bal n ASN 8 N 2.12 4.82 -2.65 2.61 4.13 -1.26 -4.72 115.26 120.31 1bal n ASN 8 Ca 0.21 -2.96 -0.04 0.00 1.68 0.00 0.00 54.58 53.47 1bal n ASN 8 Cb 0.64 -1.62 -0.03 0.00 -1.54 0.00 0.00 39.78 37.23 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bal n ASN 9 N 6.08 -3.15 0.00 6.41 3.02 -1.26 -4.97 115.26 121.38 1bal n ASN 9 Ca 0.44 1.32 0.00 0.00 -0.03 0.00 0.00 54.58 56.31 1bal n ASN 9 Cb 0.41 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bal n ASP 10 N 1.95 0.24 0.00 6.41 8.00 -1.26 -5.02 116.55 126.87 1bal n ASP 10 Ca -0.26 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1bal n ASP 10 Cb 0.40 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal n ALA 11 N -0.16 0.00 -2.07 2.24 0.00 -1.26 -5.14 120.51 114.12 1bal n ALA 11 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1bal n ALA 11 Cb 0.09 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.59 1bal n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bal s LEU 12 N -2.89 3.11 0.14 0.00 1.43 -1.26 -5.14 118.68 114.07 1bal s LEU 12 Ca 0.00 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.15 1bal s LEU 12 Cb 0.00 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 1bal s LEU 12 CO 0.00 -1.26 0.28 -0.44 0.23 0.00 0.00 176.35 175.16 1bal s SER 13 N -4.59 0.03 0.47 2.29 0.01 -1.26 -4.76 113.70 105.88 1bal s SER 13 Ca 0.58 -0.75 0.14 0.00 1.31 0.00 0.00 55.95 57.23 1bal s SER 13 Cb -0.06 0.42 1.07 0.00 0.21 0.00 0.00 66.02 67.66 1bal s SER 13 CO 0.36 -0.85 2.05 1.55 0.41 0.00 0.00 173.24 176.76 1bal h PRO 14 N 2.57 0.08 -0.26 12.44 0.13 -2.01 -1.74 132.00 143.21 1bal h PRO 14 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1bal h PRO 14 Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bal h PRO 14 CO 0.50 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1bal n ALA 15 N -2.52 2.32 -0.00 -0.56 0.00 -1.26 -3.54 120.51 114.95 1bal n ALA 15 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1bal n ALA 15 Cb 0.17 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 1bal n ALA 15 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bal h ILE 16 N 0.00 1.53 0.00 0.00 2.10 -1.73 0.16 117.51 119.57 1bal h ILE 16 Ca 0.00 -2.44 0.00 0.00 1.08 0.00 0.00 64.86 63.50 1bal h ILE 16 Cb 0.13 3.17 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 1bal h ILE 16 CO 0.00 0.66 0.00 0.03 -1.08 0.00 0.00 178.15 177.76 1bal h ARG 17 N -0.62 0.00 0.00 2.19 2.47 -1.78 -2.42 114.38 114.22 1bal h ARG 17 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1bal h ARG 17 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1bal h ARG 17 CO 0.07 0.00 -1.50 0.54 0.56 0.00 0.00 179.97 179.64 1bal n ARG 18 N -3.08 0.38 -0.42 0.04 5.12 -1.23 -4.31 116.66 113.15 1bal n ARG 18 Ca 0.00 -0.10 0.40 0.00 -1.93 0.00 0.00 57.85 56.22 1bal n ARG 18 Cb 0.27 -1.50 0.76 0.00 -1.16 0.00 0.00 32.46 30.84 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1bal h LEU 19 N 0.00 0.00 0.53 0.55 5.85 -0.15 0.23 115.31 122.33 1bal h LEU 19 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1bal h LEU 19 Cb 0.75 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.78 1bal h LEU 19 CO 0.00 0.00 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.77 1bal h LEU 20 N 0.00 -0.61 -1.43 2.25 3.38 -1.75 -3.07 115.31 114.08 1bal h LEU 20 Ca 0.67 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 1bal h LEU 20 Cb 2.72 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 43.61 1bal h LEU 20 CO -0.01 -0.21 0.18 0.00 0.09 0.00 0.00 178.44 178.49 1bal h ALA 21 N -0.95 1.56 -0.98 1.53 0.00 -1.11 -1.03 119.26 118.28 1bal h ALA 21 Ca -0.07 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.92 1bal h ALA 21 Cb 0.61 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1bal h ALA 21 CO 0.12 0.35 0.61 1.49 0.00 0.00 0.00 179.25 181.82 1bal h GLU 22 N 0.56 0.69 -0.09 0.00 4.22 -0.65 0.31 114.58 119.62 1bal h GLU 22 Ca 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1bal h GLU 22 Cb 0.09 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1bal h GLU 22 CO -0.02 0.46 0.00 0.72 -2.18 0.00 0.00 179.01 177.99 1bal n HIS 23 N -4.68 0.09 -3.28 0.92 -0.00 -0.77 -4.99 115.22 102.51 1bal n HIS 23 Ca 0.22 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.72 57.80 1bal n HIS 23 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.57 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1bal n ASN 24 N 1.29 -6.89 -3.94 0.41 4.05 0.11 -5.02 115.26 105.27 1bal n ASN 24 Ca 0.15 -0.39 -0.10 0.00 0.45 0.00 0.00 54.58 54.69 1bal n ASN 24 Cb 0.58 -4.40 -0.11 0.00 1.23 0.00 0.00 39.78 37.08 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bal s LEU 25 N -4.54 2.07 -0.29 1.20 1.43 -1.10 -5.02 118.68 112.43 1bal s LEU 25 Ca 0.08 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1bal s LEU 25 Cb -0.02 0.18 -0.00 0.00 0.03 0.00 0.00 46.19 46.38 1bal s LEU 25 CO 0.79 -0.25 0.74 -1.81 0.23 0.00 0.00 176.35 176.05 1bal s ASP 26 N -1.16 6.64 0.23 2.29 1.01 -1.26 -4.64 116.67 119.77 1bal s ASP 26 Ca -0.13 0.67 0.16 0.00 0.71 0.00 0.00 52.55 53.97 1bal s ASP 26 Cb -0.08 -2.39 0.85 0.00 1.01 0.00 0.00 42.92 42.32 1bal s ASP 26 CO -0.00 -0.54 1.50 0.00 0.21 0.00 0.00 175.17 176.33 1bal n ALA 27 N 6.05 1.11 -0.29 5.23 0.00 -1.26 -2.29 120.51 129.07 1bal n ALA 27 Ca 0.03 0.13 0.24 0.00 0.00 0.00 0.00 53.44 53.84 1bal n ALA 27 Cb 0.48 -1.24 0.56 0.00 0.00 0.00 0.00 19.45 19.25 1bal n ALA 27 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bal h SER 28 N 0.00 0.34 1.15 0.00 0.02 -2.04 0.73 113.55 113.75 1bal h SER 28 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1bal h SER 28 Cb 0.04 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1bal h SER 28 CO 0.00 0.09 -0.67 0.00 -1.14 0.00 0.00 176.83 175.11 1bal h ALA 29 N 1.58 0.63 -2.42 3.77 0.00 -1.88 -3.41 119.26 117.53 1bal h ALA 29 Ca 0.54 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.69 1bal h ALA 29 Cb 1.53 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.09 1bal h ALA 29 CO -0.20 0.00 0.47 0.42 0.00 0.00 0.00 179.25 179.95 1bal s ILE 30 N -3.27 5.34 -0.17 0.00 -1.09 0.25 -5.00 121.20 117.26 1bal s ILE 30 Ca 0.03 -2.33 -0.29 0.00 -2.23 0.00 0.00 60.65 55.84 1bal s ILE 30 Cb 0.10 -4.62 -0.05 0.00 -1.58 0.00 0.00 42.46 36.32 1bal s ILE 30 CO 0.74 -1.25 1.86 -0.54 -1.23 0.00 0.00 174.94 174.52 1bal s LYS 31 N 0.89 3.67 0.62 2.79 1.02 -1.26 -4.90 119.74 122.57 1bal s LYS 31 Ca 0.26 1.95 -0.17 0.00 0.02 0.00 0.00 55.97 58.03 1bal s LYS 31 Cb -0.08 -4.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.05 1bal s LYS 31 CO -0.08 -1.46 1.12 0.20 -0.92 0.00 0.00 175.35 174.21 1bal s GLY 32 N 5.42 2.34 0.00 -3.33 0.00 -1.26 -4.98 107.32 105.52 1bal s GLY 32 Ca 0.83 0.67 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1bal s GLY 32 CO 0.34 1.03 0.00 -1.30 0.00 0.00 0.00 173.10 173.16 1bal n THR 33 N -2.02 0.00 -1.30 0.90 -2.24 -1.21 -4.78 114.28 103.63 1bal n THR 33 Ca 0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.92 1bal n THR 33 Cb 0.51 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1bal n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bal n GLY 34 N 1.46 -0.52 2.88 3.38 0.00 -1.23 -0.83 105.19 110.33 1bal n GLY 34 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1bal n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bal n VAL 35 N -1.29 3.59 0.00 1.61 0.31 -1.26 -4.08 118.33 117.22 1bal n VAL 35 Ca 0.00 -3.29 0.00 0.00 -0.01 0.00 0.00 64.34 61.05 1bal n VAL 35 Cb 0.11 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 1bal n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bal n GLY 36 N 4.21 2.52 0.00 2.92 0.00 -1.21 -4.87 105.19 108.76 1bal n GLY 36 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1bal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bal n GLY 37 N 0.00 0.00 3.85 -0.02 0.00 -0.01 -4.99 105.19 104.03 1bal n GLY 37 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1bal n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bal s ARG 38 N 0.00 3.37 -0.39 1.61 3.00 -1.07 -4.67 118.95 120.80 1bal s ARG 38 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 55.73 55.27 1bal s ARG 38 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 34.95 31.80 1bal s ARG 38 CO 0.00 0.76 1.96 -1.17 0.00 0.00 0.00 175.30 176.85 1bal s LEU 39 N -1.09 3.44 1.00 2.53 2.96 -1.26 -3.32 118.68 122.93 1bal s LEU 39 Ca 0.16 1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 55.07 1bal s LEU 39 Cb -0.12 -3.17 0.21 0.00 0.50 0.00 0.00 46.19 43.61 1bal s LEU 39 CO 0.05 -2.05 1.29 0.42 -1.32 0.00 0.00 176.35 174.73 1bal s THR 40 N 8.31 1.94 -0.30 3.68 -4.23 -1.26 -4.98 115.64 118.79 1bal s THR 40 Ca 0.83 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.57 1bal s THR 40 Cb -0.21 -2.92 -0.06 0.00 1.34 0.00 0.00 72.50 70.65 1bal s THR 40 CO 0.30 0.00 0.99 -1.14 -0.54 0.00 0.00 174.62 174.23 1bal n ARG 41 N -3.92 0.53 0.21 3.99 0.63 -1.26 -3.86 116.66 112.99 1bal n ARG 41 Ca 0.15 0.06 0.14 0.00 -0.92 0.00 0.00 57.85 57.27 1bal n ARG 41 Cb 0.59 -1.74 0.36 0.00 0.45 0.00 0.00 32.46 32.13 1bal n ARG 41 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1bal h GLU 42 N 0.00 0.00 0.30 -0.14 5.08 -1.99 -3.03 114.58 114.79 1bal h GLU 42 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1bal h GLU 42 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1bal h GLU 42 CO 0.00 0.00 -0.14 -0.44 -1.00 0.00 0.00 179.01 177.43 1bal h ASP 43 N 0.00 -0.34 -0.25 1.42 5.19 -1.97 -2.54 116.42 117.94 1bal h ASP 43 Ca 0.00 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1bal h ASP 43 Cb 0.79 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1bal h ASP 43 CO 0.00 0.02 0.23 0.58 -3.12 0.00 0.00 179.24 176.94 1bal h VAL 44 N -0.91 0.60 -0.10 -1.35 2.07 -1.74 -1.70 116.25 113.12 1bal h VAL 44 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1bal h VAL 44 Cb 0.31 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1bal h VAL 44 CO 0.07 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.27 1bal h GLU 45 N 0.00 0.22 -2.05 1.57 4.39 -1.54 -2.76 114.58 114.40 1bal h GLU 45 Ca 0.12 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1bal h GLU 45 Cb 0.57 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1bal h GLU 45 CO -0.00 0.58 -0.07 1.17 -1.16 0.00 0.00 179.01 179.52 1bal n LYS 46 N -4.72 1.09 0.00 2.33 4.81 -0.64 -3.11 118.16 117.92 1bal n LYS 46 Ca -0.07 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.11 1bal n LYS 46 Cb 0.28 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1bal n HIS 47 N 1.90 0.00 -1.61 5.64 -0.00 -1.16 -5.03 115.22 114.96 1bal n HIS 47 Ca 0.11 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.92 1bal n HIS 47 Cb 0.52 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.47 1bal n HIS 47 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1bal n LEU 48 N -1.40 4.93 0.00 0.27 4.77 -1.05 -5.02 117.00 119.50 1bal n LEU 48 Ca 0.00 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1bal n LEU 48 Cb 0.00 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 1bal n LEU 48 CO 0.00 -1.44 0.00 0.00 -1.33 0.00 0.00 177.39 174.62 1bal n ALA 49 N -2.05 0.00 -2.33 -1.18 0.00 -1.26 -5.04 120.51 108.64 1bal n ALA 49 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 1bal n ALA 49 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1bal n ALA 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bal s LYS 50 N 2.41 3.96 0.00 0.00 -0.14 -1.26 -5.19 119.74 119.51 1bal s LYS 50 Ca 0.00 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 55.09 1bal s LYS 50 Cb 0.00 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 1bal s LYS 50 CO 0.00 0.39 0.00 0.00 -0.76 0.00 0.00 175.35 174.98