#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 3.58 0.00 -0.72 0.00 -1.26 -4.74 121.76 118.62 1bal s ALA 2 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1bal s ALA 2 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1bal s ALA 2 CO 0.00 -0.64 0.00 0.43 0.00 0.00 0.00 175.76 175.55 1bal n SER 3 N 5.28 0.00 -0.03 0.00 7.64 -1.26 -4.81 113.62 120.44 1bal n SER 3 Ca -0.06 -0.39 -0.03 0.00 1.01 0.00 0.00 58.87 59.41 1bal n SER 3 Cb 0.50 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.57 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bal n LEU 4 N 0.00 0.37 -2.46 -3.43 4.32 -1.26 -4.56 117.00 109.97 1bal n LEU 4 Ca 0.00 0.16 -0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1bal n LEU 4 Cb 0.10 0.24 0.05 0.00 -1.62 0.00 0.00 43.42 42.19 1bal n LEU 4 CO 0.00 0.28 0.14 -0.62 -1.22 0.00 0.00 177.39 175.97 1bal n GLU 5 N -2.73 1.25 -0.46 3.23 1.02 -1.26 -4.91 120.64 116.78 1bal n GLU 5 Ca -0.19 -2.67 0.41 0.00 -0.02 0.00 0.00 57.16 54.69 1bal n GLU 5 Cb 0.94 -0.83 0.77 0.00 -0.02 0.00 0.00 31.44 32.30 1bal n GLU 5 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1bal h GLU 6 N 1.87 0.01 -5.15 3.49 4.39 -1.87 -3.30 114.58 114.02 1bal h GLU 6 Ca -0.24 -0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.79 1bal h GLU 6 Cb 1.40 -0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.88 1bal h GLU 6 CO 0.07 0.00 0.17 -0.65 -1.16 0.00 0.00 179.01 177.44 1bal s GLN 7 N -4.93 3.16 -0.59 2.33 -0.21 -1.26 -4.95 119.66 113.22 1bal s GLN 7 Ca -0.05 -0.77 0.06 0.00 0.02 0.00 0.00 55.36 54.62 1bal s GLN 7 Cb 0.24 -4.10 0.24 0.00 1.00 0.00 0.00 33.01 30.40 1bal s GLN 7 CO 0.84 -1.30 0.68 0.27 -2.12 0.00 0.00 175.29 173.66 1bal n ASN 8 N 6.47 2.90 0.25 5.90 0.23 -1.24 -4.95 115.26 124.81 1bal n ASN 8 Ca -0.05 -3.26 -0.15 0.00 -0.53 0.00 0.00 54.58 50.60 1bal n ASN 8 Cb 0.46 -0.67 -0.08 0.00 -2.08 0.00 0.00 39.78 37.41 1bal n ASN 8 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1bal h ASN 9 N 4.24 -1.13 -3.35 0.53 -0.00 -1.94 -3.42 115.58 110.51 1bal h ASN 9 Ca 0.17 0.09 -0.57 0.00 -0.00 0.00 0.00 56.30 55.99 1bal h ASN 9 Cb 0.72 0.37 0.15 0.00 -0.00 0.00 0.00 38.32 39.56 1bal h ASN 9 CO 0.74 -0.55 0.13 -0.67 -0.00 0.00 0.00 177.43 177.09 1bal n ASP 10 N -4.93 0.97 -3.55 1.15 2.03 -1.26 -5.00 116.55 105.96 1bal n ASP 10 Ca -0.10 0.91 -0.02 0.00 0.52 0.00 0.00 54.79 56.10 1bal n ASP 10 Cb 0.38 -1.37 -0.05 0.00 -0.72 0.00 0.00 41.12 39.36 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bal s ALA 11 N -1.42 -1.88 0.01 -1.67 0.00 -1.26 -5.16 121.76 110.37 1bal s ALA 11 Ca 0.69 2.05 0.04 0.00 0.00 0.00 0.00 51.96 54.74 1bal s ALA 11 Cb -0.47 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1bal s ALA 11 CO 0.52 -0.99 -0.12 -0.51 0.00 0.00 0.00 175.76 174.66 1bal s LEU 12 N 2.83 2.07 0.66 0.00 1.43 -1.26 -5.02 118.68 119.39 1bal s LEU 12 Ca 0.00 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1bal s LEU 12 Cb -0.13 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1bal s LEU 12 CO -0.18 0.10 1.02 -0.44 0.23 0.00 0.00 176.35 177.08 1bal s SER 13 N -0.57 5.51 0.23 2.29 0.01 -1.26 -4.98 113.70 114.92 1bal s SER 13 Ca 0.03 0.96 -0.05 0.00 1.31 0.00 0.00 55.95 58.20 1bal s SER 13 Cb -0.06 -1.84 0.23 0.00 0.21 0.00 0.00 66.02 64.56 1bal s SER 13 CO 0.00 -1.22 1.72 1.55 0.41 0.00 0.00 173.24 175.70 1bal h PRO 14 N -0.45 0.93 0.04 12.44 0.13 -2.03 -3.22 132.00 139.83 1bal h PRO 14 Ca -0.45 -0.26 -0.29 0.00 -0.87 0.00 0.00 66.00 64.13 1bal h PRO 14 Cb 1.25 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1bal h PRO 14 CO 0.63 0.90 -1.59 0.00 -0.23 0.00 0.00 178.00 177.71 1bal h ALA 15 N 1.16 0.56 0.00 -0.56 0.00 -1.96 -3.33 119.26 115.12 1bal h ALA 15 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1bal h ALA 15 Cb 0.47 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1bal h ALA 15 CO 0.02 1.41 0.71 0.97 0.00 0.00 0.00 179.25 182.35 1bal h ILE 16 N 0.02 0.00 0.05 0.00 2.10 -1.94 0.67 117.51 118.41 1bal h ILE 16 Ca -0.25 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.44 1bal h ILE 16 Cb 1.98 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 37.89 1bal h ILE 16 CO 0.11 0.00 -1.33 0.03 -1.08 0.00 0.00 178.15 175.88 1bal h ARG 17 N 0.00 0.11 -0.77 2.19 3.08 -1.71 -3.36 114.38 113.92 1bal h ARG 17 Ca 0.00 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 1bal h ARG 17 Cb 1.41 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.47 1bal h ARG 17 CO 0.00 1.09 0.14 0.54 -1.07 0.00 0.00 179.97 180.67 1bal n ARG 18 N -4.15 3.40 -0.12 0.04 1.74 0.19 -4.26 116.66 113.50 1bal n ARG 18 Ca -0.28 -2.35 -0.25 0.00 -0.77 0.00 0.00 57.85 54.20 1bal n ARG 18 Cb 0.79 -2.03 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N 0.14 1.92 0.23 0.55 7.94 0.11 -3.59 117.00 124.29 1bal n LEU 19 Ca 0.28 0.38 0.16 0.00 -1.11 0.00 0.00 56.01 55.71 1bal n LEU 19 Cb 1.08 -0.87 0.78 0.00 0.53 0.00 0.00 43.42 44.95 1bal n LEU 19 CO 0.31 0.40 0.97 -0.07 -1.11 0.00 0.00 177.39 177.89 1bal h LEU 20 N -1.00 0.00 -1.47 -1.96 3.38 -1.76 0.12 115.31 112.61 1bal h LEU 20 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1bal h LEU 20 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1bal h LEU 20 CO -0.32 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.04 1bal n ALA 21 N -1.92 2.86 -0.12 1.53 0.00 -1.26 -2.73 120.51 118.87 1bal n ALA 21 Ca -0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.56 1bal n ALA 21 Cb 0.13 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 1bal n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bal n GLU 22 N 0.70 0.63 -0.00 0.00 2.13 -0.01 -4.52 120.64 119.58 1bal n GLU 22 Ca 0.13 0.21 0.10 0.00 0.66 0.00 0.00 57.16 58.25 1bal n GLU 22 Cb 0.52 -1.53 -0.12 0.00 0.27 0.00 0.00 31.44 30.59 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bal n HIS 23 N -3.66 0.00 -2.88 4.31 8.25 -0.99 -5.04 115.22 115.22 1bal n HIS 23 Ca -0.48 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 56.93 1bal n HIS 23 Cb 0.95 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 32.06 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 -1.49 -7.65 -3.69 0.41 5.03 -1.10 -5.03 115.26 101.74 1bal n ASN 24 Ca 0.04 0.92 -0.18 0.00 0.87 0.00 0.00 54.58 56.23 1bal n ASN 24 Cb 0.32 -4.62 -0.17 0.00 -1.02 0.00 0.00 39.78 34.29 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1bal s LEU 25 N -1.91 0.23 0.21 3.41 1.43 -1.24 -5.07 118.68 115.73 1bal s LEU 25 Ca 0.10 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1bal s LEU 25 Cb -0.02 0.00 -0.08 0.00 0.03 0.00 0.00 46.19 46.12 1bal s LEU 25 CO 0.69 -0.23 0.98 -1.81 0.23 0.00 0.00 176.35 176.22 1bal s ASP 26 N 2.01 7.52 0.46 2.29 1.11 -1.26 -4.88 116.67 123.92 1bal s ASP 26 Ca 0.02 1.97 0.18 0.00 0.18 0.00 0.00 52.55 54.90 1bal s ASP 26 Cb -0.12 -2.61 0.97 0.00 1.07 0.00 0.00 42.92 42.23 1bal s ASP 26 CO -0.04 0.03 1.48 0.00 1.18 0.00 0.00 175.17 177.82 1bal h ALA 27 N 4.55 1.29 -0.64 5.23 0.00 -2.01 -0.43 119.26 127.26 1bal h ALA 27 Ca -0.45 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1bal h ALA 27 Cb 1.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1bal h ALA 27 CO 0.69 -0.29 0.33 1.03 0.00 0.00 0.00 179.25 181.01 1bal h SER 28 N 0.00 0.47 0.59 0.00 0.87 -2.03 0.25 113.55 113.70 1bal h SER 28 Ca 0.00 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1bal h SER 28 Cb 0.71 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1bal h SER 28 CO 0.00 0.30 -0.22 0.00 -0.53 0.00 0.00 176.83 176.39 1bal h ALA 29 N 1.35 1.18 -2.67 6.23 0.00 -1.45 -3.42 119.26 120.47 1bal h ALA 29 Ca 0.29 -0.20 -0.63 0.00 0.00 0.00 0.00 54.91 54.37 1bal h ALA 29 Cb 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1bal h ALA 29 CO -0.20 0.27 -0.33 0.42 0.00 0.00 0.00 179.25 179.41 1bal s ILE 30 N -3.95 5.24 -0.28 0.00 -1.09 0.08 -5.06 121.20 116.12 1bal s ILE 30 Ca -0.01 0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.75 1bal s ILE 30 Cb 0.12 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1bal s ILE 30 CO 0.63 0.53 0.32 -0.54 -1.23 0.00 0.00 174.94 174.65 1bal s LYS 31 N -1.26 3.94 0.21 2.79 1.02 -1.26 -4.87 119.74 120.31 1bal s LYS 31 Ca 0.22 -0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1bal s LYS 31 Cb -0.14 -3.68 -0.08 0.00 -0.52 0.00 0.00 37.83 33.41 1bal s LYS 31 CO 0.11 -0.29 1.17 0.20 -0.92 0.00 0.00 175.35 175.62 1bal s GLY 32 N 1.68 2.80 0.00 -3.33 0.00 -1.26 -4.90 107.32 102.32 1bal s GLY 32 Ca 0.12 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1bal s GLY 32 CO 0.10 1.75 0.81 -1.30 0.00 0.00 0.00 173.10 174.46 1bal n THR 33 N 2.12 0.00 -0.44 0.90 -2.24 -1.25 -4.80 114.28 108.57 1bal n THR 33 Ca 0.03 -0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1bal n THR 33 Cb 0.45 0.32 0.22 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.01 -2.92 0.40 3.38 0.00 -0.81 -4.55 105.19 100.70 1bal n GLY 34 Ca -0.00 -1.16 0.19 0.00 0.00 0.00 0.00 46.02 45.05 1bal n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bal h VAL 35 N -2.91 0.67 -0.33 1.61 2.07 -2.00 0.18 116.25 115.54 1bal h VAL 35 Ca -0.40 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1bal h VAL 35 Cb 1.14 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1bal h VAL 35 CO 0.27 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1bal n GLY 36 N -1.51 2.09 1.07 2.17 0.00 -1.26 -4.93 105.19 102.82 1bal n GLY 36 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.74 0.68 3.86 -0.02 0.00 0.65 -5.06 105.19 106.03 1bal n GLY 37 Ca 0.13 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.99 3.91 -0.50 1.61 0.52 -1.26 -4.34 118.95 117.90 1bal s ARG 38 Ca 0.00 0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 55.36 1bal s ARG 38 Cb 0.00 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.73 1bal s ARG 38 CO 0.00 0.36 1.63 -1.17 0.02 0.00 0.00 175.30 176.14 1bal s LEU 39 N -2.48 3.42 0.00 2.53 2.96 -1.26 -1.93 118.68 121.92 1bal s LEU 39 Ca 0.44 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1bal s LEU 39 Cb -0.13 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1bal s LEU 39 CO 0.20 -1.85 0.00 0.35 -1.32 0.00 0.00 176.35 173.73 1bal n THR 40 N 7.12 0.00 0.46 3.68 -2.24 -1.26 -5.01 114.28 117.03 1bal n THR 40 Ca 0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1bal n THR 40 Cb 0.49 -0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.36 0.00 -0.78 0.63 -1.26 -3.94 116.66 111.67 1bal n ARG 41 Ca 0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1bal n ARG 41 Cb 0.00 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N -2.05 0.91 0.00 -0.14 -0.58 -1.26 -3.40 120.64 114.13 1bal n GLU 42 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1bal n GLU 42 Cb 0.46 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N -0.18 1.57 -0.19 1.62 8.00 -1.26 -4.49 116.55 121.62 1bal n ASP 43 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1bal n ASP 43 Cb 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bal h VAL 44 N 0.00 1.14 -0.04 2.53 2.07 -1.68 -1.33 116.25 118.95 1bal h VAL 44 Ca 0.00 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 1bal h VAL 44 Cb 0.49 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1bal h VAL 44 CO 0.00 0.14 -0.51 -0.33 0.02 0.00 0.00 177.57 176.89 1bal h GLU 45 N 0.74 0.42 0.00 1.57 5.08 -1.87 -2.95 114.58 117.57 1bal h GLU 45 Ca 0.20 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1bal h GLU 45 Cb -0.08 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1bal h GLU 45 CO -0.04 1.05 0.00 1.17 -1.00 0.00 0.00 179.01 180.19 1bal n LYS 46 N -4.27 0.34 -0.02 2.33 4.81 -1.13 -1.53 118.16 118.69 1bal n LYS 46 Ca -0.09 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.40 1bal n LYS 46 Cb 0.62 -1.41 -0.13 0.00 0.02 0.00 0.00 35.03 34.12 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 -0.91 0.00 0.00 5.64 -0.00 -0.52 -4.80 115.22 114.63 1bal n HIS 47 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1bal n HIS 47 Cb 0.03 -0.47 0.00 0.00 -0.12 0.00 0.00 29.99 29.43 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 -2.20 0.00 0.00 0.27 4.77 -0.58 -5.00 117.00 114.26 1bal n LEU 48 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1bal n LEU 48 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1bal n LEU 48 CO 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 1bal n ALA 49 N -3.00 0.00 -3.29 -1.18 0.00 -1.26 -5.08 120.51 106.70 1bal n ALA 49 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1bal n ALA 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1bal n ALA 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bal s LYS 50 N 0.00 0.63 0.00 0.00 2.20 -1.26 -5.15 119.74 116.16 1bal s LYS 50 Ca 0.00 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1bal s LYS 50 Cb 0.00 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 1bal s LYS 50 CO 0.00 -1.15 0.18 0.00 -0.36 0.00 0.00 175.35 174.03