#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 2.37 -1.26 -0.72 0.00 -1.26 -4.02 120.51 115.62 1bal n ALA 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1bal n ALA 2 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.47 1bal n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bal n SER 3 N -0.15 6.85 0.02 0.00 3.41 -1.26 -4.16 113.62 118.33 1bal n SER 3 Ca 0.00 -3.34 -0.19 0.00 -0.26 0.00 0.00 58.87 55.08 1bal n SER 3 Cb 0.15 -1.09 -0.14 0.00 -0.26 0.00 0.00 64.21 62.86 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 2.86 0.39 -0.54 1.04 3.38 -2.05 -3.42 115.31 116.98 1bal h LEU 4 Ca 0.42 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1bal h LEU 4 Cb 0.74 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1bal h LEU 4 CO 1.04 1.68 0.00 1.21 0.09 0.00 0.00 178.44 182.46 1bal n GLU 5 N -3.44 0.01 -2.85 1.13 2.13 -1.26 -4.96 120.64 111.40 1bal n GLU 5 Ca -0.27 -0.27 -0.44 0.00 0.66 0.00 0.00 57.16 56.85 1bal n GLU 5 Cb 1.05 -0.50 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 -0.00 3.48 -3.64 5.31 4.07 -1.26 -4.90 120.64 123.70 1bal n GLU 6 Ca 0.00 -3.86 -0.09 0.00 -0.06 0.00 0.00 57.16 53.16 1bal n GLU 6 Cb 0.38 -2.96 -0.07 0.00 -0.06 0.00 0.00 31.44 28.73 1bal n GLU 6 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1bal s GLN 7 N 0.92 0.72 -0.31 5.31 -2.07 -1.26 -4.89 119.66 118.08 1bal s GLN 7 Ca 0.41 1.11 -0.21 0.00 -1.82 0.00 0.00 55.36 54.86 1bal s GLN 7 Cb -0.00 0.21 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 1bal s GLN 7 CO -0.00 -0.13 0.40 0.09 -1.32 0.00 0.00 175.29 174.33 1bal n ASN 8 N 3.79 -6.47 -0.90 12.60 3.02 -1.26 -4.92 115.26 121.12 1bal n ASN 8 Ca -0.18 0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.64 1bal n ASN 8 Cb 0.58 -2.63 -0.00 0.00 -0.61 0.00 0.00 39.78 37.11 1bal n ASN 8 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1bal n ASN 9 N 0.30 -0.18 0.00 6.41 0.23 -1.26 -4.98 115.26 115.78 1bal n ASN 9 Ca -0.02 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 1bal n ASN 9 Cb 0.53 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1bal n ASN 9 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1bal n ASP 10 N -0.07 0.00 -3.63 0.53 5.68 -1.26 -5.12 116.55 112.68 1bal n ASP 10 Ca -0.04 -1.00 -0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1bal n ASP 10 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bal s ALA 11 N 0.00 -1.99 1.00 2.12 0.00 -1.26 -5.17 121.76 116.46 1bal s ALA 11 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1bal s ALA 11 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1bal s ALA 11 CO 0.00 -1.07 0.00 1.28 0.00 0.00 0.00 175.76 175.97 1bal n LEU 12 N -0.61 0.00 -4.78 0.00 4.77 -1.26 -4.96 117.00 110.16 1bal n LEU 12 Ca -0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 1bal n LEU 12 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1bal n LEU 12 CO 0.15 -0.56 0.74 -0.44 -1.33 0.00 0.00 177.39 175.95 1bal s SER 13 N -1.63 6.82 0.16 -1.43 0.01 -1.26 -4.95 113.70 111.42 1bal s SER 13 Ca 0.00 2.05 -0.12 0.00 1.31 0.00 0.00 55.95 59.18 1bal s SER 13 Cb 0.00 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1bal s SER 13 CO 0.00 -0.45 1.69 1.55 0.41 0.00 0.00 173.24 176.44 1bal h PRO 14 N 2.63 0.86 0.00 12.44 0.13 -2.05 -1.99 132.00 144.01 1bal h PRO 14 Ca -0.48 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1bal h PRO 14 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bal h PRO 14 CO 0.63 0.78 0.00 0.00 -0.23 0.00 0.00 178.00 179.18 1bal n ALA 15 N -2.38 1.54 0.07 -0.56 0.00 -1.26 -3.12 120.51 114.80 1bal n ALA 15 Ca 0.02 -0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.61 1bal n ALA 15 Cb 0.20 -1.15 0.52 0.00 0.00 0.00 0.00 19.45 19.02 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 0.11 0.00 0.00 2.10 -1.74 0.47 117.51 118.45 1bal h ILE 16 Ca 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.87 1bal h ILE 16 Cb 0.11 0.31 -0.01 0.00 -1.09 0.00 0.00 36.82 36.14 1bal h ILE 16 CO 0.00 0.00 -0.46 0.03 -1.08 0.00 0.00 178.15 176.64 1bal h ARG 17 N 0.00 0.00 -0.05 2.19 3.08 -1.79 -3.32 114.38 114.49 1bal h ARG 17 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1bal h ARG 17 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1bal h ARG 17 CO -0.00 0.61 0.00 0.54 -1.07 0.00 0.00 179.97 180.05 1bal n ARG 18 N -4.59 0.85 -0.01 0.04 1.74 0.17 -3.48 116.66 111.38 1bal n ARG 18 Ca -0.14 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.78 1bal n ARG 18 Cb 0.40 -1.02 -0.11 0.00 -1.02 0.00 0.00 32.46 30.70 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1bal h LEU 19 N 0.01 0.38 -1.76 0.55 5.85 -0.28 -2.05 115.31 118.01 1bal h LEU 19 Ca 0.00 -0.77 0.13 0.00 0.84 0.00 0.00 57.88 58.08 1bal h LEU 19 Cb 0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1bal h LEU 19 CO 0.00 1.10 0.40 -0.07 -0.34 0.00 0.00 178.44 179.53 1bal h LEU 20 N -0.30 0.23 0.00 2.25 3.38 -1.77 0.38 115.31 119.49 1bal h LEU 20 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1bal h LEU 20 Cb 1.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1bal h LEU 20 CO 0.08 0.13 -0.50 0.00 0.09 0.00 0.00 178.44 178.25 1bal n ALA 21 N -2.56 2.91 0.42 1.53 0.00 -1.21 -1.19 120.51 120.42 1bal n ALA 21 Ca 0.10 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 21 Cb 0.48 -1.21 0.38 0.00 0.00 0.00 0.00 19.45 19.10 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.00 0.00 0.00 0.00 4.81 0.50 -3.28 114.58 116.61 1bal h GLU 22 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bal h GLU 22 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1bal h GLU 22 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 1bal n HIS 23 N -2.62 0.00 -3.35 0.92 8.25 -1.05 -5.06 115.22 112.31 1bal n HIS 23 Ca 0.04 -0.09 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 1bal n HIS 23 Cb 0.42 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.09 -6.34 -4.04 0.41 3.02 -0.33 -5.00 115.26 102.89 1bal n ASN 24 Ca 0.00 -0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.17 1bal n ASN 24 Cb 0.36 -3.25 -0.13 0.00 -0.61 0.00 0.00 39.78 36.15 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 -3.51 2.12 -0.39 3.41 1.43 -0.73 -5.04 118.68 115.96 1bal s LEU 25 Ca 0.17 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 1bal s LEU 25 Cb -0.03 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.85 1bal s LEU 25 CO 0.83 -0.01 0.54 1.51 0.23 0.00 0.00 176.35 179.45 1bal s ASP 26 N -0.81 6.30 0.42 2.29 1.47 -1.26 -4.84 116.67 120.24 1bal s ASP 26 Ca -0.01 -0.26 0.25 0.00 1.18 0.00 0.00 52.55 53.70 1bal s ASP 26 Cb -0.06 -2.28 1.36 0.00 -0.34 0.00 0.00 42.92 41.60 1bal s ASP 26 CO 0.00 -0.60 1.74 0.00 0.68 0.00 0.00 175.17 176.99 1bal h ALA 27 N 8.66 1.07 0.00 2.11 0.00 -1.97 0.89 119.26 130.01 1bal h ALA 27 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bal h ALA 27 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bal h ALA 27 CO 0.82 -0.07 0.00 0.77 0.00 0.00 0.00 179.25 180.76 1bal h SER 28 N 0.00 0.00 0.55 0.00 0.02 -2.06 -1.64 113.55 110.42 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 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1bal h SER 28 CO 0.00 0.00 -0.96 0.00 -1.14 0.00 0.00 176.83 174.73 1bal n ALA 29 N -1.88 3.24 -2.60 3.77 0.00 0.31 -4.87 120.51 118.47 1bal n ALA 29 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 1bal n ALA 29 Cb 0.19 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1bal n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bal s ILE 30 N -3.20 5.15 -0.77 0.00 -1.09 -0.62 -5.02 121.20 115.64 1bal s ILE 30 Ca 0.04 0.72 -0.22 0.00 -2.23 0.00 0.00 60.65 58.96 1bal s ILE 30 Cb 0.14 -3.67 0.08 0.00 -1.58 0.00 0.00 42.46 37.43 1bal s ILE 30 CO 0.78 0.54 1.10 -0.54 -1.23 0.00 0.00 174.94 175.59 1bal s LYS 31 N -0.73 3.28 -1.01 2.79 1.02 -1.26 -4.95 119.74 118.87 1bal s LYS 31 Ca 0.22 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 1bal s LYS 31 Cb -0.15 -4.49 -0.04 0.00 -0.52 0.00 0.00 37.83 32.63 1bal s LYS 31 CO 0.11 -1.90 1.87 0.20 -0.92 0.00 0.00 175.35 174.71 1bal s GLY 32 N 3.82 0.39 -0.48 -3.33 0.00 -1.26 -4.73 107.32 101.73 1bal s GLY 32 Ca 0.29 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 43.19 1bal s GLY 32 CO 0.04 3.37 1.79 -1.30 0.00 0.00 0.00 173.10 177.00 1bal n THR 33 N 7.66 3.15 -1.13 0.90 -2.24 -1.25 -3.93 114.28 117.45 1bal n THR 33 Ca 0.41 -2.72 -0.11 0.00 -2.27 0.00 0.00 64.05 59.36 1bal n THR 33 Cb 0.47 -0.76 0.08 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.01 -1.73 3.68 3.38 0.00 -0.92 -4.73 105.19 103.85 1bal n GLY 34 Ca 0.54 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.95 0.53 0.00 1.61 0.31 -1.26 0.02 118.33 116.58 1bal n VAL 35 Ca 0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1bal n VAL 35 Cb 0.22 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 4.30 2.00 0.68 2.92 0.00 -1.26 -3.67 105.19 110.16 1bal n GLY 36 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 0.81 3.90 -0.02 0.00 0.10 -5.07 105.19 102.92 1bal n GLY 37 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.67 2.34 -0.57 1.61 0.52 -1.24 -4.60 118.95 116.34 1bal s ARG 38 Ca 0.00 0.10 -0.17 0.00 -0.52 0.00 0.00 55.73 55.13 1bal s ARG 38 Cb 0.00 -2.05 0.12 0.00 0.52 0.00 0.00 34.95 33.53 1bal s ARG 38 CO 0.00 -1.28 0.61 -1.17 0.02 0.00 0.00 175.30 173.48 1bal s LEU 39 N -5.38 5.80 0.00 2.53 2.96 -1.26 -2.17 118.68 121.16 1bal s LEU 39 Ca 0.60 -1.63 0.00 0.00 -0.22 0.00 0.00 54.13 52.88 1bal s LEU 39 Cb -0.11 -2.26 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1bal s LEU 39 CO 0.48 -0.98 0.00 0.35 -1.32 0.00 0.00 176.35 174.88 1bal n THR 40 N 5.38 0.00 -0.04 3.68 -2.24 -1.26 -5.02 114.28 114.78 1bal n THR 40 Ca -0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1bal n THR 40 Cb 0.41 -1.38 -0.14 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.65 -0.02 -0.78 0.00 -1.26 -4.04 116.66 111.21 1bal n ARG 41 Ca 0.00 0.18 0.16 0.00 -0.00 0.00 0.00 57.85 58.19 1bal n ARG 41 Cb 0.00 -1.71 0.60 0.00 0.00 0.00 0.00 32.46 31.36 1bal n ARG 41 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1bal h GLU 42 N 0.00 0.17 -0.06 -0.14 4.81 -2.00 0.77 114.58 118.14 1bal h GLU 42 Ca -0.34 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.75 1bal h GLU 42 Cb 2.00 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 31.35 1bal h GLU 42 CO 0.06 0.11 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.55 1bal h ASP 43 N 0.18 0.51 0.33 1.04 3.32 -1.92 -3.16 116.42 116.71 1bal h ASP 43 Ca 0.24 -0.69 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1bal h ASP 43 Cb 0.73 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1bal h ASP 43 CO -0.04 1.12 -0.23 0.58 -1.72 0.00 0.00 179.24 178.95 1bal h VAL 44 N -0.06 0.98 -0.66 -1.35 2.07 -1.40 -2.90 116.25 112.93 1bal h VAL 44 Ca -0.04 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 66.79 1bal h VAL 44 Cb 1.14 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 32.27 1bal h VAL 44 CO 0.09 0.22 0.08 -0.08 0.02 0.00 0.00 177.57 177.91 1bal h GLU 45 N 0.00 0.19 -1.93 1.57 4.81 -0.85 0.79 114.58 119.15 1bal h GLU 45 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1bal h GLU 45 Cb 0.45 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1bal h GLU 45 CO 0.03 0.12 0.00 1.17 -0.73 0.00 0.00 179.01 179.60 1bal n LYS 46 N -5.21 0.76 0.00 1.92 4.81 -1.10 -3.21 118.16 116.13 1bal n LYS 46 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1bal n LYS 46 Cb 0.39 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 1.53 -0.39 0.11 5.64 -0.00 0.24 -4.82 115.22 117.52 1bal n HIS 47 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1bal n HIS 47 Cb 0.38 0.27 -0.05 0.00 -0.12 0.00 0.00 29.99 30.47 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 -0.30 0.00 0.27 3.38 -1.45 -3.46 115.31 113.75 1bal h LEU 48 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1bal h LEU 48 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bal h LEU 48 CO 0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1bal n ALA 49 N -2.68 0.00 -1.00 1.53 0.00 -1.22 -4.89 120.51 112.25 1bal n ALA 49 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1bal n ALA 49 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1bal n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bal n LYS 50 N -0.37 0.00 0.00 0.00 5.02 -1.26 -5.02 118.16 116.52 1bal n LYS 50 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1bal n LYS 50 Cb 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88