#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 3.22 0.00 -3.48 0.00 -1.26 -4.81 121.76 115.43 1bal s ALA 2 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1bal s ALA 2 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1bal s ALA 2 CO 0.00 -0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.06 1bal n SER 3 N 3.44 0.00 0.04 0.00 7.64 -1.26 -5.04 113.62 118.44 1bal n SER 3 Ca 0.03 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1bal n SER 3 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1bal n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1bal n LEU 4 N 0.00 -0.53 -3.29 -3.43 7.94 -1.26 -5.09 117.00 111.34 1bal n LEU 4 Ca 0.00 0.14 -0.08 0.00 -1.11 0.00 0.00 56.01 54.95 1bal n LEU 4 Cb 0.18 0.79 -0.05 0.00 0.53 0.00 0.00 43.42 44.87 1bal n LEU 4 CO 0.00 -0.42 -0.05 -1.61 -1.11 0.00 0.00 177.39 174.20 1bal s GLU 5 N -1.17 0.57 -0.11 1.96 2.02 -1.26 -4.98 118.70 115.73 1bal s GLU 5 Ca 0.00 -0.20 0.09 0.00 0.02 0.00 0.00 54.97 54.89 1bal s GLU 5 Cb 0.00 -0.30 0.46 0.00 0.10 0.00 0.00 34.13 34.39 1bal s GLU 5 CO 0.00 -1.11 1.25 -1.91 0.02 0.00 0.00 175.26 173.51 1bal n GLU 6 N 4.86 3.04 -3.55 1.61 0.00 -1.26 -4.87 120.64 120.47 1bal n GLU 6 Ca 0.06 -1.79 -0.36 0.00 0.00 0.00 0.00 57.16 55.06 1bal n GLU 6 Cb 0.50 -1.83 -0.07 0.00 0.00 0.00 0.00 31.44 30.04 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1bal s GLN 7 N -1.91 4.19 -0.37 5.31 -0.21 -1.26 -5.00 119.66 120.41 1bal s GLN 7 Ca 0.31 0.10 -0.05 0.00 0.02 0.00 0.00 55.36 55.75 1bal s GLN 7 Cb 0.23 -3.40 0.21 0.00 1.00 0.00 0.00 33.01 31.05 1bal s GLN 7 CO 0.11 0.30 1.03 -0.80 -2.12 0.00 0.00 175.29 173.82 1bal s ASN 8 N 0.28 -0.48 0.00 5.90 -0.87 -1.26 -5.00 114.94 113.51 1bal s ASN 8 Ca 0.17 -0.55 0.25 0.00 -1.57 0.00 0.00 52.86 51.15 1bal s ASN 8 Cb -0.13 0.63 0.37 0.00 -0.02 0.00 0.00 41.25 42.10 1bal s ASN 8 CO 0.04 -0.02 1.36 -0.46 -2.57 0.00 0.00 177.10 175.45 1bal n ASN 9 N 2.73 2.53 -4.40 -1.22 6.94 -1.26 -4.93 115.26 115.65 1bal n ASN 9 Ca 0.12 -1.82 -0.51 0.00 -0.02 0.00 0.00 54.58 52.35 1bal n ASN 9 Cb 0.63 0.05 -0.09 0.00 -2.36 0.00 0.00 39.78 38.01 1bal n ASN 9 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1bal n ASP 10 N 0.92 1.63 0.00 0.53 5.75 -1.26 -4.82 116.55 119.31 1bal n ASP 10 Ca 0.15 0.41 -0.06 0.00 -0.01 0.00 0.00 54.79 55.28 1bal n ASP 10 Cb 0.53 -1.16 -0.04 0.00 -1.03 0.00 0.00 41.12 39.42 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bal h ALA 11 N 11.87 -0.13 -2.72 2.12 0.00 -2.05 -3.45 119.26 124.90 1bal h ALA 11 Ca -0.21 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1bal h ALA 11 Cb 1.34 0.05 0.14 0.00 0.00 0.00 0.00 17.79 19.32 1bal h ALA 11 CO 1.07 -0.14 0.32 1.28 0.00 0.00 0.00 179.25 181.79 1bal n LEU 12 N -4.84 3.83 -4.81 0.00 4.77 -1.26 -4.98 117.00 109.71 1bal n LEU 12 Ca -0.04 0.98 -0.31 0.00 -0.03 0.00 0.00 56.01 56.60 1bal n LEU 12 Cb 0.17 -1.44 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 1bal n LEU 12 CO 0.13 -1.20 -0.23 -0.94 -1.33 0.00 0.00 177.39 173.82 1bal s SER 13 N -0.86 5.78 0.50 -1.43 1.04 -1.26 -5.00 113.70 112.48 1bal s SER 13 Ca 0.68 0.10 0.20 0.00 0.48 0.00 0.00 55.95 57.40 1bal s SER 13 Cb -0.48 -1.64 1.28 0.00 0.10 0.00 0.00 66.02 65.28 1bal s SER 13 CO 0.53 0.20 2.08 1.55 0.98 0.00 0.00 173.24 178.58 1bal h PRO 14 N 3.45 0.00 -0.12 4.02 0.13 -1.99 -1.45 132.00 136.04 1bal h PRO 14 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bal h PRO 14 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bal h PRO 14 CO 0.67 0.11 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1bal n ALA 15 N -2.44 2.23 1.14 -0.56 0.00 -1.26 -2.92 120.51 116.71 1bal n ALA 15 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1bal n ALA 15 Cb 0.19 -1.00 0.49 0.00 0.00 0.00 0.00 19.45 19.13 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N -0.40 0.00 -0.08 0.00 3.06 -0.55 -3.60 119.36 117.79 1bal n ILE 16 Ca 0.00 -0.02 -0.11 0.00 -2.50 0.00 0.00 62.75 60.11 1bal n ILE 16 Cb 0.03 -0.10 -0.06 0.00 0.54 0.00 0.00 39.64 40.05 1bal n ILE 16 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1bal h ARG 17 N 0.23 0.00 -0.00 9.51 2.47 -1.77 -3.33 114.38 121.48 1bal h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bal h ARG 17 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1bal h ARG 17 CO 0.00 0.47 0.00 0.54 0.56 0.00 0.00 179.97 181.54 1bal n ARG 18 N -4.57 0.55 -0.02 0.04 5.12 -1.26 -3.25 116.66 113.28 1bal n ARG 18 Ca -0.16 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.75 1bal n ARG 18 Cb 0.40 -1.00 -0.01 0.00 -1.16 0.00 0.00 32.46 30.70 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 0.52 0.22 0.55 7.94 -1.24 -3.77 117.00 120.73 1bal n LEU 19 Ca 0.00 0.25 0.18 0.00 -1.11 0.00 0.00 56.01 55.32 1bal n LEU 19 Cb 0.00 -0.59 0.85 0.00 0.53 0.00 0.00 43.42 44.22 1bal n LEU 19 CO 0.00 -0.47 1.15 -0.07 -1.11 0.00 0.00 177.39 176.89 1bal h LEU 20 N -0.28 0.00 -0.55 -1.96 3.38 -1.67 0.39 115.31 114.62 1bal h LEU 20 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1bal h LEU 20 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bal h LEU 20 CO 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.50 1bal h ALA 21 N 1.74 0.99 0.15 1.53 0.00 -1.75 0.87 119.26 122.80 1bal h ALA 21 Ca 0.08 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 1bal h ALA 21 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bal h ALA 21 CO -0.00 0.04 -1.46 1.49 0.00 0.00 0.00 179.25 179.32 1bal h GLU 22 N 0.00 0.31 0.03 0.00 4.81 -0.33 -3.38 114.58 116.03 1bal h GLU 22 Ca -0.00 -0.54 -0.32 0.00 -0.13 0.00 0.00 59.36 58.37 1bal h GLU 22 Cb 0.84 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1bal h GLU 22 CO 0.00 1.26 -1.88 0.72 -0.73 0.00 0.00 179.01 178.38 1bal n HIS 23 N -3.83 0.92 -3.34 0.92 -0.00 -0.95 -5.01 115.22 103.94 1bal n HIS 23 Ca -0.23 0.29 -0.17 0.00 -0.00 0.00 0.00 57.72 57.60 1bal n HIS 23 Cb 0.96 -1.15 0.07 0.00 -0.00 0.00 0.00 29.99 29.86 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 -3.13 -5.72 -4.83 0.41 4.05 0.30 -5.01 115.26 101.33 1bal n ASN 24 Ca -0.23 -0.74 -0.22 0.00 0.45 0.00 0.00 54.58 53.85 1bal n ASN 24 Cb 1.06 -4.97 -0.04 0.00 1.23 0.00 0.00 39.78 37.06 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 -5.68 3.56 -0.47 1.20 1.43 -1.26 -5.08 118.68 112.39 1bal s LEU 25 Ca 0.39 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1bal s LEU 25 Cb -0.06 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 44.06 1bal s LEU 25 CO 0.75 -0.32 0.48 -0.62 0.23 0.00 0.00 176.35 176.87 1bal s ASP 26 N -3.96 6.18 0.00 2.29 2.15 -1.26 -4.89 116.67 117.18 1bal s ASP 26 Ca 0.40 -1.00 0.05 0.00 0.43 0.00 0.00 52.55 52.42 1bal s ASP 26 Cb -0.05 -2.23 0.25 0.00 -0.30 0.00 0.00 42.92 40.59 1bal s ASP 26 CO 0.26 -0.70 0.94 0.00 -0.17 0.00 0.00 175.17 175.50 1bal n ALA 27 N 5.62 1.48 -0.14 3.66 0.00 -1.26 -2.69 120.51 127.17 1bal n ALA 27 Ca -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1bal n ALA 27 Cb 0.45 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.87 1bal n ALA 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bal h SER 28 N 0.00 0.24 1.23 0.00 0.87 -2.04 0.09 113.55 113.94 1bal h SER 28 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1bal h SER 28 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1bal h SER 28 CO 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 176.83 176.47 1bal h ALA 29 N 1.27 1.00 -1.91 6.23 0.00 -1.95 -3.39 119.26 120.50 1bal h ALA 29 Ca 0.21 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.41 1bal h ALA 29 Cb 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 1bal h ALA 29 CO -0.18 0.00 0.11 0.42 0.00 0.00 0.00 179.25 179.60 1bal s ILE 30 N -3.46 4.82 -0.68 0.00 -1.09 0.02 -4.98 121.20 115.82 1bal s ILE 30 Ca 0.04 -0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 57.23 1bal s ILE 30 Cb 0.08 -4.48 -0.06 0.00 -1.58 0.00 0.00 42.46 36.42 1bal s ILE 30 CO 0.55 -1.11 2.13 -0.54 -1.23 0.00 0.00 174.94 174.74 1bal s LYS 31 N 2.68 2.27 -0.12 2.79 1.02 -1.26 -4.89 119.74 122.23 1bal s LYS 31 Ca 0.12 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.40 1bal s LYS 31 Cb -0.24 -4.67 -0.03 0.00 -0.52 0.00 0.00 37.83 32.37 1bal s LYS 31 CO 0.06 -3.36 1.35 0.20 -0.92 0.00 0.00 175.35 172.68 1bal s GLY 32 N 9.70 1.68 -0.20 -3.33 0.00 -1.26 -4.91 107.32 109.01 1bal s GLY 32 Ca 0.81 0.61 -0.16 0.00 0.00 0.00 0.00 44.72 45.97 1bal s GLY 32 CO 0.15 2.58 -0.11 -1.30 0.00 0.00 0.00 173.10 174.41 1bal n THR 33 N 5.26 1.49 -1.21 0.90 -2.24 -1.21 -2.51 114.28 114.76 1bal n THR 33 Ca 0.14 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1bal n THR 33 Cb 0.44 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 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 0.29 0.46 3.38 0.00 -0.55 0.15 105.19 110.38 1bal n GLY 34 Ca -0.26 -0.63 0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.52 -0.01 1.61 2.07 -1.96 -3.38 116.25 115.09 1bal h VAL 35 Ca 0.00 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.59 1bal h VAL 35 Cb 0.00 0.32 -0.16 0.00 -1.52 0.00 0.00 31.29 29.92 1bal h VAL 35 CO 0.00 0.03 -0.03 -0.83 0.02 0.00 0.00 177.57 176.76 1bal s GLY 36 N -3.93 -1.76 -0.68 2.17 0.00 -0.73 -4.99 107.32 97.40 1bal s GLY 36 Ca -0.07 1.33 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 1bal s GLY 36 CO 0.79 4.47 0.57 0.61 0.00 0.00 0.00 173.10 179.54 1bal n GLY 37 N 3.20 0.01 2.79 0.20 0.00 0.41 -5.04 105.19 106.75 1bal n GLY 37 Ca 0.06 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N -4.88 -0.01 0.47 1.61 6.06 -0.49 -4.90 118.95 116.83 1bal s ARG 38 Ca 0.04 0.15 -0.22 0.00 -2.50 0.00 0.00 55.73 53.19 1bal s ARG 38 Cb -0.02 -0.22 -0.07 0.00 0.06 0.00 0.00 34.95 34.70 1bal s ARG 38 CO 0.41 -0.14 1.16 -1.17 -2.50 0.00 0.00 175.30 173.07 1bal s LEU 39 N 0.88 3.97 0.00 -0.88 2.96 -1.26 -1.48 118.68 122.87 1bal s LEU 39 Ca -0.07 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1bal s LEU 39 Cb -0.11 -4.29 0.00 0.00 0.50 0.00 0.00 46.19 42.29 1bal s LEU 39 CO -0.02 -0.98 0.00 0.35 -1.32 0.00 0.00 176.35 174.38 1bal n THR 40 N -0.62 0.00 0.03 3.68 -2.24 -1.26 -4.89 114.28 108.98 1bal n THR 40 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.67 1bal n THR 40 Cb 0.48 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1bal n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1bal h ARG 41 N 0.00 0.26 0.00 -0.78 2.43 -1.95 -3.30 114.38 111.03 1bal h ARG 41 Ca 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1bal h ARG 41 Cb 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1bal h ARG 41 CO 0.00 1.13 0.00 -0.85 -1.51 0.00 0.00 179.97 178.74 1bal n GLU 42 N -3.44 0.90 -0.10 0.20 0.00 -1.26 -2.68 120.64 114.25 1bal n GLU 42 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 56.75 1bal n GLU 42 Cb 1.05 -1.06 -0.06 0.00 0.00 0.00 0.00 31.44 31.37 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bal n ASP 43 N -0.56 1.90 0.03 -1.84 9.92 -1.24 -4.40 116.55 120.35 1bal n ASP 43 Ca 0.03 0.43 -0.11 0.00 -0.53 0.00 0.00 54.79 54.60 1bal n ASP 43 Cb 0.01 -0.84 0.01 0.00 -0.64 0.00 0.00 41.12 39.66 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bal h VAL 44 N -1.00 1.35 -0.91 2.53 2.07 -1.69 -3.01 116.25 115.59 1bal h VAL 44 Ca -0.26 -2.07 0.26 0.00 0.82 0.00 0.00 66.70 65.45 1bal h VAL 44 Cb 1.11 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1bal h VAL 44 CO -0.16 0.63 0.88 -0.08 0.02 0.00 0.00 177.57 178.86 1bal h GLU 45 N 0.34 0.00 -0.96 1.57 4.81 -1.74 1.49 114.58 120.10 1bal h GLU 45 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1bal h GLU 45 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1bal h GLU 45 CO 0.13 0.00 0.02 1.17 -0.73 0.00 0.00 179.01 179.60 1bal n LYS 46 N -3.66 1.45 0.00 1.92 3.00 -1.14 -3.81 118.16 115.93 1bal n LYS 46 Ca 0.19 -0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1bal n LYS 46 Cb 1.17 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 34.70 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1bal n HIS 47 N 0.13 -0.03 -0.85 5.64 -0.00 0.50 -5.10 115.22 115.50 1bal n HIS 47 Ca 0.05 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.88 1bal n HIS 47 Cb 0.44 0.17 0.10 0.00 -0.12 0.00 0.00 29.99 30.58 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 -1.84 -2.46 0.00 0.27 4.77 -0.92 -4.91 117.00 111.91 1bal n LEU 48 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1bal n LEU 48 Cb 0.00 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1bal n LEU 48 CO 0.00 -4.17 0.00 0.00 -1.33 0.00 0.00 177.39 171.89 1bal n ALA 49 N -3.39 0.00 0.00 -1.18 0.00 -1.26 -4.91 120.51 109.77 1bal n ALA 49 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1bal n ALA 49 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 1bal n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1bal n LYS 50 N 0.00 0.65 0.00 0.00 3.00 -1.26 -5.30 118.16 115.24 1bal n LYS 50 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1bal n LYS 50 Cb 0.08 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.47 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40