#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 7.08 -1.68 2.98 0.00 -1.26 -3.11 120.51 124.52 1bal n ALA 2 Ca 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1bal n ALA 2 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.10 1bal n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bal n SER 3 N 3.85 0.00 0.00 0.00 2.88 -1.26 -4.92 113.62 114.17 1bal n SER 3 Ca 0.73 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1bal n SER 3 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1bal n LEU 4 N 0.00 0.16 -3.14 2.46 4.77 -1.18 -5.01 117.00 115.05 1bal n LEU 4 Ca 0.00 -0.16 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1bal n LEU 4 Cb 0.24 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1bal n LEU 4 CO 0.00 0.04 0.38 -0.70 -1.33 0.00 0.00 177.39 175.77 1bal s GLU 5 N -0.08 0.29 0.05 3.23 2.12 -1.26 -5.03 118.70 118.03 1bal s GLU 5 Ca 0.00 0.27 -0.28 0.00 0.36 0.00 0.00 54.97 55.32 1bal s GLU 5 Cb 0.00 0.12 0.09 0.00 0.26 0.00 0.00 34.13 34.61 1bal s GLU 5 CO 0.00 -0.53 1.03 -2.00 -0.54 0.00 0.00 175.26 173.22 1bal s GLU 6 N 2.89 0.87 0.13 4.30 2.56 -1.26 -4.85 118.70 123.33 1bal s GLU 6 Ca 0.22 -0.44 -0.35 0.00 0.00 0.00 0.00 54.97 54.40 1bal s GLU 6 Cb -0.04 0.32 -0.17 0.00 2.00 0.00 0.00 34.13 36.24 1bal s GLU 6 CO -0.24 -0.39 1.16 0.00 -0.56 0.00 0.00 175.26 175.23 1bal n GLN 7 N -0.39 0.92 -3.19 4.30 10.64 -1.26 -1.65 117.38 126.76 1bal n GLN 7 Ca -0.07 0.33 -0.14 0.00 -1.83 0.00 0.00 57.00 55.29 1bal n GLN 7 Cb 0.61 -1.84 0.07 0.00 -0.86 0.00 0.00 30.24 28.23 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1bal n ASN 8 N 2.07 -2.62 0.27 2.61 5.03 -1.26 -4.88 115.26 116.48 1bal n ASN 8 Ca 0.17 -0.54 0.15 0.00 0.87 0.00 0.00 54.58 55.23 1bal n ASN 8 Cb 0.21 -4.46 0.69 0.00 -1.02 0.00 0.00 39.78 35.19 1bal n ASN 8 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 1bal h ASN 9 N -1.52 0.00 -1.19 6.41 -1.24 -1.74 -3.13 115.58 113.18 1bal h ASN 9 Ca -0.51 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 55.96 1bal h ASN 9 Cb 1.29 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 40.15 1bal h ASN 9 CO 0.42 0.07 0.57 -0.90 -1.29 0.00 0.00 177.43 176.30 1bal n ASP 10 N -3.24 6.68 -3.73 1.15 5.75 -1.26 -4.95 116.55 116.95 1bal n ASP 10 Ca -0.00 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.50 1bal n ASP 10 Cb 0.31 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bal n ALA 11 N 0.75 0.00 -2.09 2.12 0.00 -1.19 -5.03 120.51 115.07 1bal n ALA 11 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1bal n ALA 11 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.87 0.00 4.77 -1.26 -5.08 117.00 110.56 1bal n LEU 12 Ca 0.00 -1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 54.52 1bal n LEU 12 Cb 0.00 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 1bal n LEU 12 CO 0.00 -0.91 0.00 -0.55 -1.33 0.00 0.00 177.39 174.61 1bal s SER 13 N -3.64 6.58 0.62 -1.43 0.15 -1.26 -4.97 113.70 109.76 1bal s SER 13 Ca 0.42 0.69 0.38 0.00 0.70 0.00 0.00 55.95 58.14 1bal s SER 13 Cb -0.02 -2.14 2.03 0.00 -1.71 0.00 0.00 66.02 64.18 1bal s SER 13 CO 0.29 0.25 2.25 1.55 1.20 0.00 0.00 173.24 178.78 1bal h PRO 14 N 4.06 0.00 -0.00 5.44 0.13 -2.05 -0.92 132.00 138.66 1bal h PRO 14 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bal h PRO 14 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bal h PRO 14 CO 0.65 0.02 -0.04 0.00 -0.23 0.00 0.00 178.00 178.40 1bal n ALA 15 N -2.15 2.65 0.25 -0.56 0.00 -1.26 -3.57 120.51 115.87 1bal n ALA 15 Ca -0.02 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1bal n ALA 15 Cb 0.13 -1.42 0.66 0.00 0.00 0.00 0.00 19.45 18.82 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 0.41 0.71 0.08 0.00 2.10 -1.56 0.16 117.51 119.40 1bal h ILE 16 Ca 0.00 -0.61 -0.27 0.00 1.08 0.00 0.00 64.86 65.06 1bal h ILE 16 Cb 0.24 1.38 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 1bal h ILE 16 CO 0.00 0.15 -1.33 0.03 -1.08 0.00 0.00 178.15 175.92 1bal h ARG 17 N 0.00 0.16 -0.00 2.19 -0.00 -1.78 -3.27 114.38 111.69 1bal h ARG 17 Ca -0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1bal h ARG 17 Cb 0.36 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.44 1bal h ARG 17 CO 0.02 1.04 -0.30 0.54 0.00 0.00 0.00 179.97 181.27 1bal n ARG 18 N -3.40 0.17 0.13 0.04 1.74 -0.91 -4.04 116.66 110.39 1bal n ARG 18 Ca -0.10 -0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 56.77 1bal n ARG 18 Cb 1.01 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.19 -0.29 -1.95 0.55 5.85 -0.75 -1.72 115.31 117.18 1bal h LEU 19 Ca 0.00 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.68 1bal h LEU 19 Cb 0.48 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1bal h LEU 19 CO 0.00 0.05 0.49 -0.07 -0.34 0.00 0.00 178.44 178.58 1bal h LEU 20 N -0.66 0.00 0.09 2.25 3.38 -1.71 0.35 115.31 119.01 1bal h LEU 20 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 1bal h LEU 20 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bal h LEU 20 CO 0.06 0.00 -1.18 0.00 0.09 0.00 0.00 178.44 177.41 1bal h ALA 21 N 1.50 0.16 -0.10 1.53 0.00 -1.60 0.25 119.26 121.00 1bal h ALA 21 Ca 0.25 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1bal h ALA 21 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1bal h ALA 21 CO -0.00 1.02 -0.29 1.49 0.00 0.00 0.00 179.25 181.48 1bal h GLU 22 N 0.06 0.18 -0.58 0.00 4.81 0.59 -1.84 114.58 117.80 1bal h GLU 22 Ca -0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1bal h GLU 22 Cb 1.91 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.28 1bal h GLU 22 CO 0.19 0.46 0.00 0.72 -0.73 0.00 0.00 179.01 179.65 1bal n HIS 23 N -4.15 0.95 -3.84 0.92 8.25 -0.81 -4.91 115.22 111.63 1bal n HIS 23 Ca -0.01 -0.39 -0.26 0.00 -0.26 0.00 0.00 57.72 56.80 1bal n HIS 23 Cb 0.37 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 0.76 -2.21 -4.08 0.41 5.03 -0.69 -4.97 115.26 109.50 1bal n ASN 24 Ca 0.17 -0.85 -0.09 0.00 0.87 0.00 0.00 54.58 54.68 1bal n ASN 24 Cb 0.60 -3.74 -0.10 0.00 -1.02 0.00 0.00 39.78 35.51 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 -6.95 2.41 -0.07 3.41 1.43 0.87 -5.03 118.68 114.76 1bal s LEU 25 Ca 0.24 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1bal s LEU 25 Cb -0.12 0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.14 1bal s LEU 25 CO 0.84 -0.45 -0.14 -0.62 0.23 0.00 0.00 176.35 176.20 1bal s ASP 26 N -2.47 4.01 0.46 2.29 2.15 -1.26 -3.95 116.67 117.91 1bal s ASP 26 Ca 0.01 -0.23 0.31 0.00 0.43 0.00 0.00 52.55 53.07 1bal s ASP 26 Cb 0.01 -1.02 1.30 0.00 -0.30 0.00 0.00 42.92 42.91 1bal s ASP 26 CO -0.06 0.30 1.92 0.00 -0.17 0.00 0.00 175.17 177.16 1bal h ALA 27 N 5.67 1.00 -0.07 3.66 0.00 -1.92 -2.77 119.26 124.83 1bal h ALA 27 Ca -0.41 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1bal h ALA 27 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1bal h ALA 27 CO 0.51 0.00 0.31 0.77 0.00 0.00 0.00 179.25 180.84 1bal h SER 28 N 0.00 0.00 0.49 0.00 0.02 -2.04 0.68 113.55 112.71 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 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1bal h SER 28 CO 0.00 0.00 -1.33 0.00 -1.14 0.00 0.00 176.83 174.36 1bal n ALA 29 N -2.00 2.92 -2.72 3.77 0.00 -1.05 -4.86 120.51 116.57 1bal n ALA 29 Ca -0.01 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 1bal n ALA 29 Cb 0.38 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 -3.36 5.32 -0.15 0.00 -1.09 0.24 -5.06 121.20 117.10 1bal s ILE 30 Ca -0.02 0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 58.70 1bal s ILE 30 Cb 0.13 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1bal s ILE 30 CO 0.83 0.38 0.52 -0.75 -1.23 0.00 0.00 174.94 174.70 1bal s LYS 31 N 0.54 4.29 -0.19 2.79 2.20 -1.26 -4.91 119.74 123.19 1bal s LYS 31 Ca 0.15 0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 56.11 1bal s LYS 31 Cb -0.13 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1bal s LYS 31 CO 0.03 0.02 0.24 0.20 -0.36 0.00 0.00 175.35 175.48 1bal s GLY 32 N 0.86 2.11 0.00 5.54 0.00 -1.26 -4.96 107.32 109.62 1bal s GLY 32 Ca 0.26 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1bal s GLY 32 CO 0.11 0.40 0.00 -1.30 0.00 0.00 0.00 173.10 172.31 1bal n THR 33 N 3.78 0.00 -2.14 0.90 -2.24 -1.26 -4.08 114.28 109.24 1bal n THR 33 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1bal n THR 33 Cb 0.52 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.50 0.50 0.51 3.38 0.00 -1.25 0.80 105.19 111.63 1bal n GLY 34 Ca 0.00 -0.78 0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 0.31 0.00 1.61 2.07 -1.97 -3.38 116.25 114.89 1bal h VAL 35 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1bal h VAL 35 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1bal h VAL 35 CO 0.00 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1bal n GLY 36 N -1.66 0.00 0.00 2.17 0.00 -0.57 -4.97 105.19 100.16 1bal n GLY 36 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.38 3.57 -0.02 0.00 0.24 -5.01 105.19 104.35 1bal n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.67 -0.24 1.61 1.81 -1.23 -4.75 118.95 118.82 1bal s ARG 38 Ca 0.00 1.51 -0.29 0.00 -1.72 0.00 0.00 55.73 55.23 1bal s ARG 38 Cb 0.00 -4.44 -0.03 0.00 -0.45 0.00 0.00 34.95 30.03 1bal s ARG 38 CO 0.00 -2.63 1.77 -1.17 -0.68 0.00 0.00 175.30 172.59 1bal s LEU 39 N 9.81 3.73 0.00 2.53 2.96 -1.26 -3.78 118.68 132.67 1bal s LEU 39 Ca 0.92 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1bal s LEU 39 Cb -0.22 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1bal s LEU 39 CO 0.29 -1.49 0.00 0.35 -1.32 0.00 0.00 176.35 174.18 1bal n THR 40 N 6.89 0.00 -0.08 3.68 -2.24 -1.26 -5.04 114.28 116.23 1bal n THR 40 Ca 0.22 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1bal n THR 40 Cb 0.45 -1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.48 0.67 0.00 -0.78 0.00 -1.26 -4.06 116.66 110.76 1bal n ARG 41 Ca 0.00 0.10 0.04 0.00 -0.00 0.00 0.00 57.85 57.99 1bal n ARG 41 Cb 0.00 -1.60 0.25 0.00 0.00 0.00 0.00 32.46 31.11 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1bal n GLU 42 N -2.91 0.29 -0.11 -0.14 1.02 -1.26 -1.36 120.64 116.16 1bal n GLU 42 Ca -0.30 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.59 1bal n GLU 42 Cb 1.11 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.96 1.96 0.03 1.62 8.00 -1.26 -4.22 116.55 121.72 1bal n ASP 43 Ca 0.06 0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.95 1bal n ASP 43 Cb 0.03 -0.78 0.42 0.00 -0.02 0.00 0.00 41.12 40.77 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 -4.02 0.15 -0.06 2.53 0.31 -1.01 -3.71 118.33 112.51 1bal n VAL 44 Ca -0.45 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 63.64 1bal n VAL 44 Cb 0.88 -0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.68 -0.61 5.55 4.81 -1.41 -1.22 114.58 122.38 1bal h GLU 45 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1bal h GLU 45 Cb 0.58 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1bal h GLU 45 CO 0.00 1.08 0.00 0.36 -0.73 0.00 0.00 179.01 179.72 1bal n LYS 46 N -4.17 0.74 0.00 1.92 2.85 -1.24 -3.37 118.16 114.88 1bal n LYS 46 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1bal n LYS 46 Cb 0.57 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1bal n HIS 47 N 0.02 0.00 -1.39 5.58 -0.00 -1.06 -5.02 115.22 113.36 1bal n HIS 47 Ca 0.00 0.00 -0.52 0.00 0.46 0.00 0.00 57.72 57.66 1bal n HIS 47 Cb 0.15 0.20 -0.09 0.00 -0.12 0.00 0.00 29.99 30.13 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 -2.59 1.52 0.00 0.27 4.77 -0.49 -4.91 117.00 115.57 1bal n LEU 48 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1bal n LEU 48 Cb 0.25 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1bal n LEU 48 CO 0.00 -0.78 0.00 0.00 -1.33 0.00 0.00 177.39 175.28 1bal n ALA 49 N 9.38 0.00 -1.65 -1.18 0.00 -1.26 -5.01 120.51 120.80 1bal n ALA 49 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1bal n ALA 49 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.48 0.00 0.00 0.00 4.81 -1.26 -5.20 118.16 116.02 1bal n LYS 50 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bal n LYS 50 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57