#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal n ALA 2 N 0.00 0.00 -2.73 2.98 0.00 -1.26 -4.91 120.51 114.59 1bal n ALA 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1bal n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1bal n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bal s SER 3 N -2.41 1.27 0.02 0.00 0.15 -1.26 -4.99 113.70 106.49 1bal s SER 3 Ca 0.00 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.22 1bal s SER 3 Cb 0.00 -0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1bal s SER 3 CO 0.00 -0.04 0.82 0.00 1.20 0.00 0.00 173.24 175.22 1bal n LEU 4 N 1.88 0.02 -2.78 3.45 -0.00 -1.26 -3.13 117.00 115.18 1bal n LEU 4 Ca -0.19 0.30 -0.25 0.00 -0.00 0.00 0.00 56.01 55.88 1bal n LEU 4 Cb 0.55 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.60 1bal n LEU 4 CO 0.22 -0.31 2.46 1.21 -0.00 0.00 0.00 177.39 180.97 1bal n GLU 5 N -1.34 2.65 0.00 1.47 2.13 -1.26 -2.81 120.64 121.48 1bal n GLU 5 Ca -0.00 -1.54 0.00 0.00 0.66 0.00 0.00 57.16 56.28 1bal n GLU 5 Cb 0.23 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bal n GLU 6 N 3.26 0.00 0.00 5.31 2.13 -1.18 -4.96 120.64 125.20 1bal n GLU 6 Ca 0.57 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1bal n GLU 6 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N 0.00 4.70 -2.91 5.31 3.00 -1.12 -5.06 117.38 121.29 1bal n GLN 7 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bal n GLN 7 Cb 0.21 -0.58 -0.04 0.00 0.00 0.00 0.00 30.24 29.83 1bal n GLN 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1bal s ASN 8 N -0.38 7.24 -0.09 1.08 4.22 -1.23 -4.98 114.94 120.80 1bal s ASN 8 Ca 0.00 1.49 -0.07 0.00 -2.14 0.00 0.00 52.86 52.14 1bal s ASN 8 Cb 0.00 -2.49 -0.02 0.00 1.28 0.00 0.00 41.25 40.01 1bal s ASN 8 CO 0.00 -0.07 -0.13 -3.20 -2.04 0.00 0.00 177.10 171.66 1bal n ASN 9 N 3.20 1.03 -0.75 3.54 5.15 -1.26 -4.91 115.26 121.26 1bal n ASN 9 Ca 0.00 0.37 -0.03 0.00 -0.60 0.00 0.00 54.58 54.32 1bal n ASN 9 Cb 0.50 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.04 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1bal n ASP 10 N -3.58 -0.35 -4.75 1.20 8.00 -1.26 -5.13 116.55 110.68 1bal n ASP 10 Ca -0.05 -1.51 -0.36 0.00 0.71 0.00 0.00 54.79 53.58 1bal n ASP 10 Cb 0.20 0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal s ALA 11 N 0.00 2.56 1.00 2.24 0.00 -1.26 -5.02 121.76 121.28 1bal s ALA 11 Ca 0.02 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1bal s ALA 11 Cb 0.02 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1bal s ALA 11 CO -0.01 -1.14 0.00 1.28 0.00 0.00 0.00 175.76 175.89 1bal n LEU 12 N -1.54 0.00 -4.70 0.00 4.77 -1.26 -4.95 117.00 109.32 1bal n LEU 12 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1bal n LEU 12 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1bal n LEU 12 CO 0.45 -0.43 0.75 -0.44 -1.33 0.00 0.00 177.39 176.39 1bal s SER 13 N -1.46 7.29 0.57 -1.43 0.01 -1.26 -4.90 113.70 112.52 1bal s SER 13 Ca 0.00 1.63 0.38 0.00 1.31 0.00 0.00 55.95 59.28 1bal s SER 13 Cb 0.00 -2.56 2.05 0.00 0.21 0.00 0.00 66.02 65.72 1bal s SER 13 CO 0.00 -0.36 2.17 1.55 0.41 0.00 0.00 173.24 177.01 1bal h PRO 14 N 6.95 0.00 -0.89 12.44 0.13 -2.05 -0.85 132.00 147.74 1bal h PRO 14 Ca -0.37 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.47 1bal h PRO 14 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1bal h PRO 14 CO 0.80 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.95 1bal n ALA 15 N -2.00 4.64 0.09 -0.56 0.00 -1.26 -4.27 120.51 117.14 1bal n ALA 15 Ca -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 53.44 51.21 1bal n ALA 15 Cb 0.08 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 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 1.63 1.49 0.22 0.00 2.10 -1.54 -3.03 117.51 118.38 1bal h ILE 16 Ca 0.36 -3.04 -0.01 0.00 1.08 0.00 0.00 64.86 63.26 1bal h ILE 16 Cb 2.31 2.69 0.00 0.00 -1.09 0.00 0.00 36.82 40.73 1bal h ILE 16 CO 0.76 0.83 -0.11 0.03 -1.08 0.00 0.00 178.15 178.59 1bal h ARG 17 N 0.00 -0.29 -0.14 2.19 3.08 -1.82 -3.15 114.38 114.25 1bal h ARG 17 Ca -0.01 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1bal h ARG 17 Cb 1.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 1bal h ARG 17 CO 0.11 0.04 0.23 0.00 -1.07 0.00 0.00 179.97 179.28 1bal h ARG 18 N -0.96 0.00 -0.99 0.04 3.08 -1.86 -0.96 114.38 112.73 1bal h ARG 18 Ca -0.03 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.17 1bal h ARG 18 Cb 0.46 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 1bal h ARG 18 CO 0.05 0.00 0.62 1.25 -1.07 0.00 0.00 179.97 180.82 1bal h LEU 19 N 0.00 0.84 -0.34 3.04 5.85 -1.48 0.65 115.31 123.87 1bal h LEU 19 Ca 0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1bal h LEU 19 Cb 0.52 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1bal h LEU 19 CO -0.00 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.68 1bal n LEU 20 N -4.66 0.55 0.05 2.25 4.77 -0.36 -2.64 117.00 116.95 1bal n LEU 20 Ca 0.20 0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 56.77 1bal n LEU 20 Cb 0.45 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1bal n LEU 20 CO 0.26 -0.36 -0.14 0.00 -1.33 0.00 0.00 177.39 175.82 1bal h ALA 21 N 2.44 0.65 -0.00 -1.18 0.00 0.18 0.65 119.26 122.00 1bal h ALA 21 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1bal h ALA 21 Cb 0.47 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bal h ALA 21 CO 0.00 0.97 -0.05 -1.91 0.00 0.00 0.00 179.25 178.26 1bal n GLU 22 N -3.01 0.29 0.00 0.00 2.13 -0.68 -3.88 120.64 115.49 1bal n GLU 22 Ca -0.07 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1bal n GLU 22 Cb 0.85 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.06 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 -1.32 0.00 -2.94 4.31 8.25 -1.21 -5.10 115.22 117.21 1bal n HIS 23 Ca 0.11 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1bal n HIS 23 Cb 0.29 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1bal n ASN 24 N -0.31 -7.04 -4.14 0.41 5.15 0.23 -5.03 115.26 104.53 1bal n ASN 24 Ca 0.00 0.95 -0.11 0.00 -0.60 0.00 0.00 54.58 54.82 1bal n ASN 24 Cb 0.00 -3.49 -0.09 0.00 -0.53 0.00 0.00 39.78 35.67 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1bal s LEU 25 N -1.24 1.30 -0.55 1.20 1.43 -1.22 -5.05 118.68 114.55 1bal s LEU 25 Ca -0.01 -1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 51.73 1bal s LEU 25 Cb 0.00 0.54 0.14 0.00 0.03 0.00 0.00 46.19 46.90 1bal s LEU 25 CO 0.40 -0.83 0.47 -1.81 0.23 0.00 0.00 176.35 174.81 1bal s ASP 26 N -3.09 6.03 0.65 2.29 1.11 -1.26 -4.90 116.67 117.51 1bal s ASP 26 Ca 0.30 -1.97 0.43 0.00 0.18 0.00 0.00 52.55 51.48 1bal s ASP 26 Cb 0.06 -2.12 2.28 0.00 1.07 0.00 0.00 42.92 44.21 1bal s ASP 26 CO 0.07 -0.75 2.32 0.00 1.18 0.00 0.00 175.17 177.99 1bal h ALA 27 N 8.54 1.03 -0.58 5.23 0.00 -2.00 -2.32 119.26 129.17 1bal h ALA 27 Ca -0.21 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1bal h ALA 27 Cb 1.08 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1bal h ALA 27 CO 0.93 0.00 0.28 0.66 0.00 0.00 0.00 179.25 181.12 1bal h SER 28 N 0.00 0.37 -0.01 0.00 4.64 -2.04 -0.54 113.55 115.97 1bal h SER 28 Ca -0.00 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1bal h SER 28 Cb 0.06 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1bal h SER 28 CO 0.00 0.24 -0.10 0.00 -0.87 0.00 0.00 176.83 176.10 1bal h ALA 29 N 1.33 1.53 -2.32 5.18 0.00 -1.85 -3.41 119.26 119.73 1bal h ALA 29 Ca 0.27 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 1bal h ALA 29 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1bal h ALA 29 CO -0.21 0.34 0.49 0.42 0.00 0.00 0.00 179.25 180.29 1bal s ILE 30 N -4.78 4.82 -0.08 0.00 -1.09 -0.21 -5.02 121.20 114.84 1bal s ILE 30 Ca -0.06 1.93 -0.20 0.00 -2.23 0.00 0.00 60.65 60.09 1bal s ILE 30 Cb 0.16 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1bal s ILE 30 CO 0.73 0.03 0.58 -0.54 -1.23 0.00 0.00 174.94 174.51 1bal s LYS 31 N 1.90 4.37 -0.86 2.79 1.02 -1.26 -4.92 119.74 122.77 1bal s LYS 31 Ca 0.46 0.65 -0.13 0.00 0.02 0.00 0.00 55.97 56.97 1bal s LYS 31 Cb -0.18 -3.43 0.23 0.00 -0.52 0.00 0.00 37.83 33.93 1bal s LYS 31 CO 0.18 0.15 0.81 0.20 -0.92 0.00 0.00 175.35 175.76 1bal s GLY 32 N 0.60 2.74 0.00 -3.33 0.00 -1.26 -4.86 107.32 101.21 1bal s GLY 32 Ca 0.31 -3.40 0.02 0.00 0.00 0.00 0.00 44.72 41.65 1bal s GLY 32 CO 0.14 1.27 0.57 -1.30 0.00 0.00 0.00 173.10 173.78 1bal n THR 33 N 3.80 0.00 -0.90 0.90 -2.24 -1.26 -3.73 114.28 110.84 1bal n THR 33 Ca 0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.58 1bal n THR 33 Cb 0.46 -0.33 0.08 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.03 -3.39 3.15 3.38 0.00 -1.19 -4.63 105.19 102.48 1bal n GLY 34 Ca 0.01 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.12 1.94 0.00 1.61 0.31 -1.26 -2.27 118.33 115.53 1bal n VAL 35 Ca 0.02 -1.74 0.00 0.00 -0.01 0.00 0.00 64.34 62.60 1bal n VAL 35 Cb 0.57 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 4.68 0.57 2.30 2.92 0.00 -1.26 -4.78 105.19 109.62 1bal n GLY 36 Ca 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.06 3.68 -0.02 0.00 -0.96 -4.96 105.19 102.86 1bal n GLY 37 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.60 4.29 -0.55 1.61 1.81 -1.24 -4.85 118.95 115.41 1bal s ARG 38 Ca 0.00 0.80 -0.27 0.00 -1.72 0.00 0.00 55.73 54.54 1bal s ARG 38 Cb 0.00 -3.55 0.03 0.00 -0.45 0.00 0.00 34.95 30.98 1bal s ARG 38 CO 0.00 -0.20 1.10 -1.17 -0.68 0.00 0.00 175.30 174.34 1bal s LEU 39 N 1.75 3.69 0.76 2.53 2.96 -1.26 -3.19 118.68 125.93 1bal s LEU 39 Ca 0.34 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1bal s LEU 39 Cb -0.16 -3.13 0.13 0.00 0.50 0.00 0.00 46.19 43.52 1bal s LEU 39 CO 0.13 -1.35 1.06 0.42 -1.32 0.00 0.00 176.35 175.29 1bal s THR 40 N 4.52 2.17 -1.51 3.68 -4.23 -1.26 -4.98 115.64 114.03 1bal s THR 40 Ca 0.40 -0.41 0.27 0.00 -1.18 0.00 0.00 61.69 60.77 1bal s THR 40 Cb -0.09 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.26 1bal s THR 40 CO 0.25 0.00 1.65 -1.14 -0.54 0.00 0.00 174.62 174.84 1bal n ARG 41 N -3.03 0.56 0.00 3.99 0.63 -1.26 -3.48 116.66 114.06 1bal n ARG 41 Ca 0.13 -0.27 0.14 0.00 -0.92 0.00 0.00 57.85 56.92 1bal n ARG 41 Cb 0.60 -1.49 0.51 0.00 0.45 0.00 0.00 32.46 32.53 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 -0.98 0.80 -0.04 -0.14 1.02 -1.26 -3.32 120.64 116.72 1bal n GLU 42 Ca 0.11 -0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 56.75 1bal n GLU 42 Cb 0.32 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bal n ASP 43 N -0.77 1.07 0.03 1.62 8.00 -1.23 -4.06 116.55 121.21 1bal n ASP 43 Ca 0.14 0.23 0.13 0.00 0.71 0.00 0.00 54.79 56.00 1bal n ASP 43 Cb 0.31 -0.05 0.36 0.00 -0.02 0.00 0.00 41.12 41.71 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 -3.10 0.18 -0.08 2.53 0.31 -1.25 -3.93 118.33 113.00 1bal n VAL 44 Ca -0.26 -0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 63.88 1bal n VAL 44 Cb 1.07 -0.18 -0.00 0.00 -0.91 0.00 0.00 33.84 33.82 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 0.21 -1.41 5.55 4.22 -1.69 -0.52 114.58 120.94 1bal h GLU 45 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1bal h GLU 45 Cb 0.60 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1bal h GLU 45 CO 0.00 0.14 0.00 1.63 -2.18 0.00 0.00 179.01 178.60 1bal n LYS 46 N -5.05 0.81 0.00 1.92 5.02 -1.25 -2.95 118.16 116.66 1bal n LYS 46 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1bal n LYS 46 Cb 0.11 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.86 0.00 0.25 2.13 -0.00 -0.29 -4.69 115.22 113.49 1bal n HIS 47 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1bal n HIS 47 Cb 0.40 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.20 1bal n HIS 47 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1bal h LEU 48 N 0.00 -0.58 0.00 0.27 3.38 -1.22 -3.46 115.31 113.71 1bal h LEU 48 Ca 0.00 -0.06 -0.43 0.00 0.09 0.00 0.00 57.88 57.48 1bal h LEU 48 Cb 0.00 0.15 0.16 0.00 0.09 0.00 0.00 40.66 41.06 1bal h LEU 48 CO 0.00 -0.19 0.36 0.00 0.09 0.00 0.00 178.44 178.70 1bal n ALA 49 N -2.62 -1.17 -1.77 1.53 0.00 -1.25 -4.93 120.51 110.29 1bal n ALA 49 Ca -0.10 -1.76 -0.43 0.00 0.00 0.00 0.00 53.44 51.15 1bal n ALA 49 Cb 0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.72 3.47 0.00 0.00 1.02 -1.26 -4.95 119.74 112.29 1bal s LYS 50 Ca 0.73 1.97 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1bal s LYS 50 Cb -0.02 -4.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 1bal s LYS 50 CO 0.51 -1.71 0.00 0.00 -0.92 0.00 0.00 175.35 173.22