#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 3.28 0.00 2.98 0.00 -1.26 -4.92 121.76 121.84 1bal s ALA 2 Ca 0.00 0.41 0.16 0.00 0.00 0.00 0.00 51.96 52.52 1bal s ALA 2 Cb 0.00 -3.16 0.26 0.00 0.00 0.00 0.00 23.12 20.22 1bal s ALA 2 CO 0.00 -0.06 1.08 -1.13 0.00 0.00 0.00 175.76 175.65 1bal n SER 3 N 3.21 0.35 -0.03 0.00 3.41 -1.26 -4.82 113.62 114.48 1bal n SER 3 Ca 0.01 -1.95 -0.14 0.00 -0.26 0.00 0.00 58.87 56.53 1bal n SER 3 Cb 0.50 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1bal n SER 3 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1bal h LEU 4 N 0.60 0.17 -3.23 1.04 -0.00 -2.01 -3.31 115.31 108.56 1bal h LEU 4 Ca -0.28 -0.57 -0.13 0.00 -0.00 0.00 0.00 57.88 56.91 1bal h LEU 4 Cb 1.68 -0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 42.21 1bal h LEU 4 CO -0.01 0.71 -0.28 -0.62 -0.00 0.00 0.00 178.44 178.24 1bal n GLU 5 N -4.67 1.82 -3.84 1.13 1.02 -1.26 -4.99 120.64 109.84 1bal n GLU 5 Ca -0.08 -3.29 -0.12 0.00 -0.02 0.00 0.00 57.16 53.65 1bal n GLU 5 Cb 0.35 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 1bal n GLU 5 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1bal s GLU 6 N -3.27 0.09 0.38 3.49 0.41 -1.25 -5.14 118.70 113.41 1bal s GLU 6 Ca 0.42 0.11 -0.24 0.00 -0.41 0.00 0.00 54.97 54.85 1bal s GLU 6 Cb 0.39 0.04 -0.09 0.00 -1.78 0.00 0.00 34.13 32.69 1bal s GLU 6 CO -0.03 -0.01 1.01 -0.65 -0.49 0.00 0.00 175.26 175.09 1bal s GLN 7 N 0.06 4.30 0.00 1.61 -0.21 -1.26 -4.71 119.66 119.45 1bal s GLN 7 Ca -0.00 1.42 0.00 0.00 0.02 0.00 0.00 55.36 56.80 1bal s GLN 7 Cb -0.01 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.42 1bal s GLN 7 CO 0.00 -0.01 0.00 0.09 -2.12 0.00 0.00 175.29 173.26 1bal n ASN 8 N 0.06 0.00 -2.71 5.90 4.13 -1.26 -5.07 115.26 116.31 1bal n ASN 8 Ca 0.04 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.24 1bal n ASN 8 Cb 0.50 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.81 1bal n ASN 8 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1bal n ASN 9 N 0.00 -2.08 0.00 6.41 6.94 -1.26 -5.11 115.26 120.16 1bal n ASN 9 Ca 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 54.58 51.88 1bal n ASN 9 Cb 0.00 1.40 0.00 0.00 -2.36 0.00 0.00 39.78 38.82 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1bal n ASP 10 N 1.26 0.00 0.00 0.53 9.92 -1.26 -5.02 116.55 121.98 1bal n ASP 10 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1bal n ASP 10 Cb 0.68 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bal n ALA 11 N -3.00 2.56 -1.51 2.24 0.00 -1.26 -5.09 120.51 114.45 1bal n ALA 11 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1bal n ALA 11 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.69 3.43 0.14 0.00 1.43 -1.26 -5.03 118.68 113.69 1bal s LEU 12 Ca 0.00 2.47 -0.08 0.00 -1.03 0.00 0.00 54.13 55.49 1bal s LEU 12 Cb 0.00 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1bal s LEU 12 CO 0.00 -2.16 0.23 -0.44 0.23 0.00 0.00 176.35 174.21 1bal s SER 13 N -1.75 0.10 0.45 2.29 0.01 -1.26 -5.03 113.70 108.51 1bal s SER 13 Ca 0.78 -0.84 0.15 0.00 1.31 0.00 0.00 55.95 57.35 1bal s SER 13 Cb -0.33 0.39 1.09 0.00 0.21 0.00 0.00 66.02 67.38 1bal s SER 13 CO 0.43 -0.82 2.00 -0.65 0.41 0.00 0.00 173.24 174.60 1bal h PRO 14 N 2.65 0.32 -0.64 12.44 0.10 -2.03 -0.26 132.00 144.58 1bal h PRO 14 Ca -0.33 -0.02 0.14 0.00 0.10 0.00 0.00 66.00 65.89 1bal h PRO 14 Cb 1.22 -0.07 -0.04 0.00 0.10 0.00 0.00 31.00 32.21 1bal h PRO 14 CO 0.52 0.21 0.44 0.00 0.10 0.00 0.00 178.00 179.27 1bal h ALA 15 N 1.73 2.24 -0.09 -0.75 0.00 -1.97 0.27 119.26 120.69 1bal h ALA 15 Ca 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1bal h ALA 15 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bal h ALA 15 CO -0.06 -0.41 0.20 0.97 0.00 0.00 0.00 179.25 179.95 1bal h ILE 16 N 0.26 0.19 0.12 0.00 2.10 -1.45 -0.54 117.51 118.19 1bal h ILE 16 Ca 0.31 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.95 1bal h ILE 16 Cb 0.85 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1bal h ILE 16 CO -0.07 0.00 -1.52 0.03 -1.08 0.00 0.00 178.15 175.51 1bal h ARG 17 N 0.00 0.26 -0.02 2.19 3.08 -0.62 -3.31 114.38 115.97 1bal h ARG 17 Ca 0.04 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1bal h ARG 17 Cb 0.44 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1bal h ARG 17 CO -0.00 1.21 0.00 0.54 -1.07 0.00 0.00 179.97 180.65 1bal n ARG 18 N -3.84 1.04 -0.11 0.04 5.12 -0.57 -3.62 116.66 114.72 1bal n ARG 18 Ca -0.26 -0.06 -0.23 0.00 -1.93 0.00 0.00 57.85 55.37 1bal n ARG 18 Cb 0.94 -1.06 -0.11 0.00 -1.16 0.00 0.00 32.46 31.06 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1bal n LEU 19 N -0.50 1.93 0.07 0.55 7.94 -0.32 -3.50 117.00 123.16 1bal n LEU 19 Ca 0.03 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 1bal n LEU 19 Cb 0.03 -0.94 0.31 0.00 0.53 0.00 0.00 43.42 43.34 1bal n LEU 19 CO 0.02 0.37 0.83 -0.07 -1.11 0.00 0.00 177.39 177.44 1bal h LEU 20 N -0.94 0.33 -0.84 -1.96 3.38 -1.70 -2.39 115.31 111.21 1bal h LEU 20 Ca -0.43 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.33 1bal h LEU 20 Cb 1.41 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1bal h LEU 20 CO -0.24 0.53 -0.48 0.00 0.09 0.00 0.00 178.44 178.34 1bal h ALA 21 N 1.51 1.01 -0.20 1.53 0.00 -1.74 2.06 119.26 123.43 1bal h ALA 21 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1bal h ALA 21 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bal h ALA 21 CO 0.03 0.64 -0.34 1.49 0.00 0.00 0.00 179.25 181.07 1bal h GLU 22 N 0.20 0.58 0.00 0.00 4.57 -1.48 -3.22 114.58 115.23 1bal h GLU 22 Ca 0.01 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1bal h GLU 22 Cb 0.92 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1bal h GLU 22 CO 0.07 0.97 -0.88 0.72 -1.18 0.00 0.00 179.01 178.72 1bal n HIS 23 N -4.30 0.09 -3.93 0.92 8.25 -0.94 -4.96 115.22 110.33 1bal n HIS 23 Ca -0.06 0.02 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 1bal n HIS 23 Cb 0.50 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N -1.67 -2.26 -4.63 0.41 3.02 0.70 -4.91 115.26 105.91 1bal n ASN 24 Ca 0.04 -0.90 -0.39 0.00 -0.03 0.00 0.00 54.58 53.29 1bal n ASN 24 Cb 0.37 -3.45 -0.08 0.00 -0.61 0.00 0.00 39.78 36.00 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bal s LEU 25 N -7.04 4.08 -0.35 3.41 1.43 -1.15 -5.00 118.68 114.06 1bal s LEU 25 Ca 0.32 0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 1bal s LEU 25 Cb -0.16 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1bal s LEU 25 CO 0.86 -0.15 2.10 1.51 0.23 0.00 0.00 176.35 180.91 1bal s ASP 26 N 1.41 5.34 0.54 2.29 1.47 -1.26 -4.80 116.67 121.67 1bal s ASP 26 Ca 0.17 1.40 0.33 0.00 1.18 0.00 0.00 52.55 55.63 1bal s ASP 26 Cb -0.15 -2.51 1.33 0.00 -0.34 0.00 0.00 42.92 41.24 1bal s ASP 26 CO 0.09 -2.13 1.97 0.00 0.68 0.00 0.00 175.17 175.79 1bal h ALA 27 N 15.39 1.00 0.00 2.11 0.00 -1.94 -2.53 119.26 133.29 1bal h ALA 27 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1bal h ALA 27 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bal h ALA 27 CO 1.05 0.02 0.00 0.77 0.00 0.00 0.00 179.25 181.08 1bal h SER 28 N 0.00 0.00 1.17 0.00 0.02 -2.04 -1.19 113.55 111.50 1bal h SER 28 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bal h SER 28 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1bal h SER 28 CO 0.00 0.00 -0.49 0.00 -1.14 0.00 0.00 176.83 175.20 1bal h ALA 29 N 2.02 0.70 -2.32 3.77 0.00 -1.84 -3.43 119.26 118.15 1bal h ALA 29 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1bal h ALA 29 Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 1bal h ALA 29 CO 0.00 0.00 0.09 0.42 0.00 0.00 0.00 179.25 179.76 1bal s ILE 30 N -3.20 4.91 0.19 0.00 -1.09 -0.45 -5.03 121.20 116.54 1bal s ILE 30 Ca 0.06 0.41 -0.31 0.00 -2.23 0.00 0.00 60.65 58.58 1bal s ILE 30 Cb 0.11 -4.08 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1bal s ILE 30 CO 0.70 -0.35 1.44 -0.54 -1.23 0.00 0.00 174.94 174.96 1bal s LYS 31 N 2.65 4.29 -0.39 2.79 1.02 -1.26 -4.97 119.74 123.86 1bal s LYS 31 Ca 0.22 2.23 -0.16 0.00 0.02 0.00 0.00 55.97 58.28 1bal s LYS 31 Cb -0.15 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1bal s LYS 31 CO 0.15 -0.44 0.37 0.20 -0.92 0.00 0.00 175.35 174.72 1bal s GLY 32 N 0.71 1.93 -0.05 -3.33 0.00 -1.26 -4.91 107.32 100.40 1bal s GLY 32 Ca 0.63 -1.48 0.15 0.00 0.00 0.00 0.00 44.72 44.02 1bal s GLY 32 CO 0.37 1.04 1.41 -1.30 0.00 0.00 0.00 173.10 174.62 1bal n THR 33 N 5.30 1.11 -0.23 0.90 -2.24 -1.24 -3.20 114.28 114.69 1bal n THR 33 Ca -0.09 -0.82 -0.16 0.00 -2.27 0.00 0.00 64.05 60.71 1bal n THR 33 Cb 0.48 0.17 0.15 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.12 -2.99 3.72 3.38 0.00 -0.80 -4.51 105.19 105.11 1bal n GLY 34 Ca 0.19 -0.97 -0.62 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.38 0.18 0.00 1.61 0.31 -1.26 -0.27 118.33 114.52 1bal n VAL 35 Ca 0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1bal n VAL 35 Cb 0.31 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 4.06 1.26 0.00 2.92 0.00 -1.26 -3.30 105.19 108.87 1bal n GLY 36 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 3.97 -0.02 0.00 0.62 -5.03 105.19 104.73 1bal n GLY 37 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 3.03 0.06 1.61 1.81 -1.19 -4.56 118.95 119.72 1bal s ARG 38 Ca 0.00 -0.69 -0.04 0.00 -1.72 0.00 0.00 55.73 53.28 1bal s ARG 38 Cb 0.00 -2.64 -0.05 0.00 -0.45 0.00 0.00 34.95 31.81 1bal s ARG 38 CO 0.00 -0.20 0.28 -1.17 -0.68 0.00 0.00 175.30 173.53 1bal s LEU 39 N -4.45 4.34 0.00 2.53 2.96 -1.26 -1.91 118.68 120.89 1bal s LEU 39 Ca 0.48 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1bal s LEU 39 Cb -0.10 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1bal s LEU 39 CO 0.36 0.17 0.00 0.35 -1.32 0.00 0.00 176.35 175.91 1bal n THR 40 N 0.59 0.00 -0.01 3.68 -2.24 -1.26 -5.01 114.28 110.03 1bal n THR 40 Ca -0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1bal n THR 40 Cb 0.52 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 1bal n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bal n ARG 41 N 0.00 0.66 0.00 -0.78 0.63 -1.26 -3.85 116.66 112.06 1bal n ARG 41 Ca 0.00 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1bal n ARG 41 Cb 0.00 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -2.36 0.73 0.00 -0.14 2.13 -1.26 -2.35 120.64 117.39 1bal n GLU 42 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1bal n GLU 42 Cb 0.64 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bal n ASP 43 N -0.29 0.39 0.00 4.31 8.00 -1.26 -4.75 116.55 122.95 1bal n ASP 43 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 1bal n ASP 43 Cb 0.06 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.63 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bal n VAL 44 N -2.59 0.50 0.16 2.53 0.31 -1.23 -2.65 118.33 115.36 1bal n VAL 44 Ca 0.00 0.13 0.05 0.00 -0.01 0.00 0.00 64.34 64.51 1bal n VAL 44 Cb 0.24 -0.76 0.10 0.00 -0.91 0.00 0.00 33.84 32.51 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 0.00 -0.01 5.55 4.22 -1.76 -3.10 114.58 119.48 1bal h GLU 45 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bal h GLU 45 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1bal h GLU 45 CO 0.00 0.37 -0.22 1.63 -2.18 0.00 0.00 179.01 178.61 1bal n LYS 46 N -3.21 0.86 -0.11 1.92 5.02 -1.08 -3.57 118.16 117.98 1bal n LYS 46 Ca 0.02 -0.48 0.12 0.00 -2.02 0.00 0.00 58.31 55.95 1bal n LYS 46 Cb 0.66 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 34.41 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1bal n HIS 47 N -0.65 0.30 0.14 2.13 -0.00 -1.17 -4.00 115.22 111.97 1bal n HIS 47 Ca 0.13 -0.15 0.11 0.00 0.46 0.00 0.00 57.72 58.27 1bal n HIS 47 Cb 0.34 0.00 0.27 0.00 -0.12 0.00 0.00 29.99 30.48 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 1.20 3.43 -3.22 0.27 4.77 -1.23 -4.74 117.00 117.48 1bal n LEU 48 Ca 0.18 -1.60 -0.02 0.00 -0.03 0.00 0.00 56.01 54.54 1bal n LEU 48 Cb 0.55 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1bal n LEU 48 CO 0.15 0.80 0.04 0.00 -1.33 0.00 0.00 177.39 177.05 1bal s ALA 49 N -1.32 -1.95 -0.22 -1.18 0.00 -1.26 -5.02 121.76 110.82 1bal s ALA 49 Ca 0.42 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 1bal s ALA 49 Cb 0.23 -2.44 -0.19 0.00 0.00 0.00 0.00 23.12 20.73 1bal s ALA 49 CO 0.31 -1.93 -0.04 1.63 0.00 0.00 0.00 175.76 175.73 1bal n LYS 50 N 5.08 0.66 0.00 0.00 5.02 -1.26 -5.01 118.16 122.64 1bal n LYS 50 Ca 0.06 0.26 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 1bal n LYS 50 Cb 0.53 -1.59 0.35 0.00 -0.02 0.00 0.00 35.03 34.29 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88