#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 -2.43 -3.48 0.00 -1.26 -5.09 120.51 108.25 1bal n ALA 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1bal n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.15 0.23 0.00 0.00 0.15 -1.26 -5.03 113.70 106.63 1bal s SER 3 Ca 0.00 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.15 1bal s SER 3 Cb 0.00 0.29 0.38 0.00 -1.71 0.00 0.00 66.02 64.99 1bal s SER 3 CO 0.00 -0.68 1.33 0.00 1.20 0.00 0.00 173.24 175.09 1bal n LEU 4 N 0.02 1.25 -1.91 3.45 -0.00 -1.26 -4.07 117.00 114.47 1bal n LEU 4 Ca -0.15 -0.40 -0.19 0.00 -0.00 0.00 0.00 56.01 55.28 1bal n LEU 4 Cb 0.62 -0.09 0.11 0.00 -0.00 0.00 0.00 43.42 44.06 1bal n LEU 4 CO 0.24 0.24 1.11 -0.62 -0.00 0.00 0.00 177.39 178.37 1bal n GLU 5 N -0.68 1.95 -1.83 1.47 1.02 -1.26 -4.60 120.64 116.71 1bal n GLU 5 Ca 0.09 -2.17 -0.34 0.00 -0.02 0.00 0.00 57.16 54.72 1bal n GLU 5 Cb 0.38 -1.85 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bal n GLU 6 N -0.58 3.26 -1.73 3.49 4.07 -1.26 -4.97 120.64 122.92 1bal n GLU 6 Ca 0.43 -3.13 -0.30 0.00 -0.06 0.00 0.00 57.16 54.10 1bal n GLU 6 Cb 1.19 -2.30 0.19 0.00 -0.06 0.00 0.00 31.44 30.46 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1bal s GLN 7 N -2.53 0.36 0.00 5.31 -1.52 -1.26 -5.02 119.66 115.00 1bal s GLN 7 Ca 0.54 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.68 1bal s GLN 7 Cb 0.34 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 31.33 1bal s GLN 7 CO -0.24 -2.63 0.38 0.09 -0.25 0.00 0.00 175.29 172.65 1bal n ASN 8 N -3.95 0.00 -0.44 5.90 3.02 -1.26 -4.67 115.26 113.86 1bal n ASN 8 Ca 0.14 0.38 -0.03 0.00 -0.03 0.00 0.00 54.58 55.04 1bal n ASN 8 Cb 0.60 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.75 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 -0.44 -2.06 -4.89 6.41 0.23 -1.26 -4.86 115.26 108.39 1bal n ASN 9 Ca 0.00 0.07 -0.29 0.00 -0.53 0.00 0.00 54.58 53.83 1bal n ASN 9 Cb 0.00 -1.73 -0.02 0.00 -2.08 0.00 0.00 39.78 35.94 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1bal s ASP 10 N -1.04 6.43 0.00 0.53 -4.77 -1.26 -5.09 116.67 111.47 1bal s ASP 10 Ca 0.00 0.94 0.00 0.00 -3.30 0.00 0.00 52.55 50.19 1bal s ASP 10 Cb 0.00 -2.24 0.00 0.00 -1.09 0.00 0.00 42.92 39.59 1bal s ASP 10 CO 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 175.17 175.49 1bal n ALA 11 N -1.46 0.00 -1.00 2.11 0.00 -1.26 -5.06 120.51 113.84 1bal n ALA 11 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1bal n ALA 11 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1bal n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bal n LEU 12 N 0.00 0.00 -4.95 0.00 4.77 -1.26 -5.03 117.00 110.53 1bal n LEU 12 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1bal n LEU 12 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1bal n LEU 12 CO 0.00 -0.95 0.18 -0.44 -1.33 0.00 0.00 177.39 174.85 1bal s SER 13 N -1.61 6.15 0.06 -1.43 0.01 -1.26 -5.02 113.70 110.60 1bal s SER 13 Ca 0.00 0.32 -0.22 0.00 1.31 0.00 0.00 55.95 57.37 1bal s SER 13 Cb 0.00 -1.82 -0.13 0.00 0.21 0.00 0.00 66.02 64.28 1bal s SER 13 CO 0.00 -0.40 1.53 1.55 0.41 0.00 0.00 173.24 176.34 1bal h PRO 14 N 0.70 0.19 0.00 12.44 0.13 -2.04 -2.68 132.00 140.74 1bal h PRO 14 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1bal h PRO 14 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bal h PRO 14 CO 0.59 0.37 0.41 0.00 -0.23 0.00 0.00 178.00 179.15 1bal n ALA 15 N -2.26 0.40 0.10 -0.56 0.00 -1.26 -0.13 120.51 116.80 1bal n ALA 15 Ca -0.06 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1bal n ALA 15 Cb 0.16 -0.47 0.39 0.00 0.00 0.00 0.00 19.45 19.54 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 1.17 0.04 0.00 2.10 -1.88 0.17 117.51 119.11 1bal h ILE 16 Ca 0.00 -0.73 -0.23 0.00 1.08 0.00 0.00 64.86 64.99 1bal h ILE 16 Cb 0.82 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1bal h ILE 16 CO 0.00 0.23 -1.01 0.03 -1.08 0.00 0.00 178.15 176.32 1bal h ARG 17 N 0.27 0.23 -0.00 2.19 3.08 -0.75 -3.14 114.38 116.25 1bal h ARG 17 Ca 0.06 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1bal h ARG 17 Cb 0.34 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1bal h ARG 17 CO 0.02 1.06 -0.21 0.54 -1.07 0.00 0.00 179.97 180.31 1bal n ARG 18 N -3.60 0.40 0.06 0.04 1.74 -0.94 -3.72 116.66 110.65 1bal n ARG 18 Ca -0.05 -0.17 -0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1bal n ARG 18 Cb 0.89 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 31.13 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 0.40 0.36 -0.32 0.55 5.85 -0.62 -1.04 115.31 120.49 1bal h LEU 19 Ca 0.00 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 1bal h LEU 19 Cb 0.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1bal h LEU 19 CO 0.00 0.55 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.01 1bal h LEU 20 N 0.35 0.93 0.01 2.25 3.38 -1.72 -3.15 115.31 117.36 1bal h LEU 20 Ca 0.06 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1bal h LEU 20 Cb 0.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1bal h LEU 20 CO 0.03 1.29 -0.01 0.00 0.09 0.00 0.00 178.44 179.85 1bal h ALA 21 N 0.72 -0.02 -1.21 1.53 0.00 -1.67 1.88 119.26 120.50 1bal h ALA 21 Ca 0.01 -0.21 0.36 0.00 0.00 0.00 0.00 54.91 55.07 1bal h ALA 21 Cb 1.17 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1bal h ALA 21 CO 0.12 -0.30 0.79 1.49 0.00 0.00 0.00 179.25 181.36 1bal h GLU 22 N -0.45 0.20 0.00 0.00 4.57 -1.25 0.40 114.58 118.05 1bal h GLU 22 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1bal h GLU 22 Cb 0.43 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1bal h GLU 22 CO 0.00 0.13 -1.00 0.72 -1.18 0.00 0.00 179.01 177.68 1bal n HIS 23 N -4.59 0.00 -3.30 0.92 8.25 -1.12 -5.02 115.22 110.36 1bal n HIS 23 Ca 0.31 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.61 1bal n HIS 23 Cb 1.20 -0.10 0.06 0.00 1.12 0.00 0.00 29.99 32.27 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 -1.55 -6.56 -4.29 0.41 4.05 0.63 -5.01 115.26 102.93 1bal n ASN 24 Ca 0.01 -0.70 -0.28 0.00 0.45 0.00 0.00 54.58 54.07 1bal n ASN 24 Cb 0.29 -4.92 -0.15 0.00 1.23 0.00 0.00 39.78 36.23 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 -5.41 2.14 -0.05 1.20 1.43 -0.50 -5.01 118.68 112.48 1bal s LEU 25 Ca 0.41 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 1bal s LEU 25 Cb -0.07 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1bal s LEU 25 CO 0.76 0.23 0.34 -1.81 0.23 0.00 0.00 176.35 176.10 1bal s ASP 26 N -1.08 6.67 0.00 2.29 1.01 -1.26 -4.82 116.67 119.48 1bal s ASP 26 Ca 0.10 0.79 0.30 0.00 0.71 0.00 0.00 52.55 54.44 1bal s ASP 26 Cb -0.09 -2.21 1.40 0.00 1.01 0.00 0.00 42.92 43.03 1bal s ASP 26 CO 0.01 0.29 1.97 0.00 0.21 0.00 0.00 175.17 177.65 1bal n ALA 27 N 2.23 2.65 0.25 5.23 0.00 -1.26 -3.62 120.51 126.00 1bal n ALA 27 Ca -0.14 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.18 1bal n ALA 27 Cb 0.53 -1.41 0.70 0.00 0.00 0.00 0.00 19.45 19.27 1bal n ALA 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bal h SER 28 N 0.31 0.00 0.65 0.00 4.64 -2.04 -0.41 113.55 116.70 1bal h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bal h SER 28 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1bal h SER 28 CO 0.00 0.00 -0.95 0.00 -0.87 0.00 0.00 176.83 175.01 1bal n ALA 29 N -2.50 3.05 -2.65 5.18 0.00 -1.24 -4.86 120.51 117.50 1bal n ALA 29 Ca -0.02 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 1bal n ALA 29 Cb 0.12 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.24 5.19 -0.07 0.00 -1.09 -0.17 -5.07 121.20 116.76 1bal s ILE 30 Ca 0.03 0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 59.05 1bal s ILE 30 Cb 0.13 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1bal s ILE 30 CO 0.78 0.49 0.25 -0.54 -1.23 0.00 0.00 174.94 174.68 1bal s LYS 31 N -0.33 3.63 -0.77 2.79 1.02 -1.26 -4.91 119.74 119.90 1bal s LYS 31 Ca 0.21 0.08 -0.17 0.00 0.02 0.00 0.00 55.97 56.11 1bal s LYS 31 Cb -0.15 -3.19 0.16 0.00 -0.52 0.00 0.00 37.83 34.12 1bal s LYS 31 CO 0.09 0.74 0.84 0.20 -0.92 0.00 0.00 175.35 176.30 1bal s GLY 32 N -1.09 2.16 -0.63 -3.33 0.00 -1.26 -4.88 107.32 98.28 1bal s GLY 32 Ca 0.19 -2.80 -0.02 0.00 0.00 0.00 0.00 44.72 42.09 1bal s GLY 32 CO 0.08 1.57 2.07 -1.30 0.00 0.00 0.00 173.10 175.52 1bal n THR 33 N 4.94 3.48 -1.27 0.90 -2.24 -1.26 -4.27 114.28 114.56 1bal n THR 33 Ca 0.08 -2.96 -0.30 0.00 -2.27 0.00 0.00 64.05 58.60 1bal n THR 33 Cb 0.46 -1.22 0.11 0.00 -2.10 0.00 0.00 70.33 67.58 1bal n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bal s GLY 34 N -1.28 1.64 0.39 3.38 0.00 -1.24 -4.75 107.32 105.46 1bal s GLY 34 Ca 0.57 0.06 0.11 0.00 0.00 0.00 0.00 44.72 45.45 1bal s GLY 34 CO -0.09 0.48 1.20 -2.08 0.00 0.00 0.00 173.10 172.61 1bal h VAL 35 N -1.32 0.00 0.00 1.40 2.07 -1.94 0.26 116.25 116.73 1bal h VAL 35 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1bal h VAL 35 Cb 1.26 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1bal h VAL 35 CO 0.54 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1bal n GLY 36 N -1.28 -0.45 0.46 2.17 0.00 -1.26 -4.99 105.19 99.84 1bal n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.03 1.36 3.77 -0.02 0.00 0.92 -5.07 105.19 106.12 1bal n GLY 37 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.27 4.08 -0.55 1.61 0.52 -1.26 -4.65 118.95 117.43 1bal s ARG 38 Ca 0.00 0.15 -0.26 0.00 -0.52 0.00 0.00 55.73 55.10 1bal s ARG 38 Cb 0.00 -3.35 -0.07 0.00 0.52 0.00 0.00 34.95 32.05 1bal s ARG 38 CO 0.00 0.40 2.32 -1.17 0.02 0.00 0.00 175.30 176.87 1bal s LEU 39 N -0.04 3.32 0.64 2.53 2.96 -1.26 -3.61 118.68 123.21 1bal s LEU 39 Ca 0.18 0.81 -0.12 0.00 -0.22 0.00 0.00 54.13 54.79 1bal s LEU 39 Cb -0.14 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1bal s LEU 39 CO 0.06 -2.94 1.04 0.42 -1.32 0.00 0.00 176.35 173.62 1bal s THR 40 N 12.07 4.34 -1.92 3.68 -4.23 -1.26 -4.92 115.64 123.40 1bal s THR 40 Ca 0.92 0.82 0.27 0.00 -1.18 0.00 0.00 61.69 62.52 1bal s THR 40 Cb -0.16 -3.62 0.72 0.00 1.34 0.00 0.00 72.50 70.78 1bal s THR 40 CO 0.22 -0.93 1.94 -1.14 -0.54 0.00 0.00 174.62 174.18 1bal n ARG 41 N -2.72 0.77 0.00 3.99 0.63 -1.26 -2.54 116.66 115.53 1bal n ARG 41 Ca 0.07 0.01 0.11 0.00 -0.92 0.00 0.00 57.85 57.11 1bal n ARG 41 Cb 0.54 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.98 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 -1.04 0.34 0.01 -0.14 1.02 -1.26 -3.38 120.64 116.19 1bal n GLU 42 Ca 0.19 -0.26 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 1bal n GLU 42 Cb 0.11 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 1bal n GLU 42 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bal h ASP 43 N 0.63 0.39 0.87 1.62 3.32 -1.88 -3.33 116.42 118.05 1bal h ASP 43 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1bal h ASP 43 Cb 0.55 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1bal h ASP 43 CO 0.00 1.66 -0.31 0.52 -1.72 0.00 0.00 179.24 179.39 1bal n VAL 44 N -3.86 0.17 0.17 -1.35 0.31 -1.25 -3.78 118.33 108.73 1bal n VAL 44 Ca -0.26 -0.11 -0.08 0.00 -0.01 0.00 0.00 64.34 63.89 1bal n VAL 44 Cb 0.92 -0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.64 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 -0.47 0.00 5.55 4.81 -1.68 -3.11 114.58 119.68 1bal h GLU 45 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1bal h GLU 45 Cb 0.59 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1bal h GLU 45 CO 0.00 -0.32 0.10 1.57 -0.73 0.00 0.00 179.01 179.64 1bal h LYS 46 N -0.96 0.00 0.00 1.92 2.10 -1.72 0.14 116.57 118.06 1bal h LYS 46 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1bal h LYS 46 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1bal h LYS 46 CO 0.08 0.00 0.00 1.25 -2.00 0.00 0.00 179.45 178.78 1bal h HIS 47 N 0.00 0.00 -3.31 0.07 2.76 -1.63 -3.42 115.15 109.63 1bal h HIS 47 Ca 0.00 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.62 1bal h HIS 47 Cb 0.20 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1bal h HIS 47 CO 0.00 0.00 0.50 -0.51 -1.30 0.00 0.00 177.93 176.62 1bal s LEU 48 N -5.93 4.28 -0.30 0.26 1.43 0.50 -4.99 118.68 113.94 1bal s LEU 48 Ca 0.00 1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 54.48 1bal s LEU 48 Cb 0.10 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 42.98 1bal s LEU 48 CO 0.49 -0.39 1.31 0.00 0.23 0.00 0.00 176.35 177.99 1bal s ALA 49 N 1.70 -3.08 -1.11 4.21 0.00 -1.26 -5.06 121.76 117.16 1bal s ALA 49 Ca 0.49 1.84 -0.24 0.00 0.00 0.00 0.00 51.96 54.05 1bal s ALA 49 Cb -0.19 -2.19 -0.12 0.00 0.00 0.00 0.00 23.12 20.61 1bal s ALA 49 CO 0.21 -0.69 2.00 0.15 0.00 0.00 0.00 175.76 177.43 1bal s LYS 50 N 1.58 2.12 0.00 0.00 3.01 -1.26 -5.26 119.74 119.92 1bal s LYS 50 Ca -0.03 -0.81 0.03 0.00 -1.01 0.00 0.00 55.97 54.15 1bal s LYS 50 Cb -0.01 -5.14 0.18 0.00 -1.01 0.00 0.00 37.83 31.86 1bal s LYS 50 CO -0.13 -4.33 0.67 0.00 0.51 0.00 0.00 175.35 172.06