#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 3.36 0.00 -0.72 0.00 -1.26 -4.97 121.76 118.18 1bal s ALA 2 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1bal s ALA 2 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1bal s ALA 2 CO 0.00 -0.11 0.00 0.43 0.00 0.00 0.00 175.76 176.08 1bal n SER 3 N 4.14 0.00 -4.46 0.00 7.64 -1.26 -5.11 113.62 114.57 1bal n SER 3 Ca -0.16 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.23 1bal n SER 3 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.32 -4.50 -3.43 0.00 -1.26 -4.43 117.00 103.05 1bal n LEU 4 Ca 0.00 1.14 -0.28 0.00 0.00 0.00 0.00 56.01 56.88 1bal n LEU 4 Cb 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 43.42 42.19 1bal n LEU 4 CO 0.00 -2.44 2.11 -0.62 0.00 0.00 0.00 177.39 176.44 1bal n GLU 5 N 1.06 0.02 -0.17 1.96 -0.58 -1.26 -4.84 120.64 116.83 1bal n GLU 5 Ca 0.16 -0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.73 1bal n GLU 5 Cb 0.25 -1.24 0.14 0.00 -0.57 0.00 0.00 31.44 30.02 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1bal n GLU 6 N 6.50 -3.25 0.00 3.49 2.13 -1.26 -5.01 120.64 123.24 1bal n GLU 6 Ca 0.67 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1bal n GLU 6 Cb 0.12 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 30.90 1bal n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bal n GLN 7 N -3.80 0.00 -1.21 5.31 10.64 -1.26 -5.05 117.38 122.01 1bal n GLN 7 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1bal n GLN 7 Cb 0.30 -0.17 0.00 0.00 -0.86 0.00 0.00 30.24 29.51 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1bal n ASN 8 N 0.00 -3.73 -3.84 2.61 2.85 -1.26 -5.09 115.26 106.79 1bal n ASN 8 Ca 0.00 0.41 -0.12 0.00 -0.11 0.00 0.00 54.58 54.76 1bal n ASN 8 Cb 0.00 -1.97 -0.11 0.00 1.24 0.00 0.00 39.78 38.94 1bal n ASN 8 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1bal s ASN 9 N -0.13 -0.07 -0.32 1.20 4.22 -1.26 -5.03 114.94 113.55 1bal s ASN 9 Ca 0.00 0.05 0.05 0.00 -2.14 0.00 0.00 52.86 50.82 1bal s ASN 9 Cb 0.00 0.27 0.55 0.00 1.28 0.00 0.00 41.25 43.35 1bal s ASN 9 CO 0.00 -0.22 1.67 0.47 -2.04 0.00 0.00 177.10 176.98 1bal n ASP 10 N 2.18 3.81 -0.59 3.54 8.00 -1.26 -4.92 116.55 127.31 1bal n ASP 10 Ca -0.18 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.17 1bal n ASP 10 Cb 0.57 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal n ALA 11 N -0.54 0.00 -0.58 2.24 0.00 -1.26 -5.15 120.51 115.22 1bal n ALA 11 Ca 0.42 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.66 1bal n ALA 11 Cb 1.34 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.92 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 -1.60 -4.98 0.00 4.77 -1.26 -4.98 117.00 108.95 1bal n LEU 12 Ca 0.00 -0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 55.47 1bal n LEU 12 Cb 0.00 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1bal n LEU 12 CO 0.00 -3.11 0.13 -0.94 -1.33 0.00 0.00 177.39 172.15 1bal s SER 13 N -1.84 5.90 0.57 -1.43 1.04 -1.26 -4.96 113.70 111.72 1bal s SER 13 Ca 0.36 -0.06 0.28 0.00 0.48 0.00 0.00 55.95 57.01 1bal s SER 13 Cb -0.05 -1.29 1.52 0.00 0.10 0.00 0.00 66.02 66.30 1bal s SER 13 CO 0.37 -0.54 2.00 -0.65 0.98 0.00 0.00 173.24 175.40 1bal h PRO 14 N 0.72 0.00 0.00 4.02 0.10 -2.03 0.33 132.00 135.14 1bal h PRO 14 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.64 1bal h PRO 14 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1bal h PRO 14 CO 0.54 0.00 0.00 0.00 0.10 0.00 0.00 178.00 178.64 1bal n ALA 15 N -2.42 1.43 0.16 -0.75 0.00 -1.26 -2.72 120.51 114.95 1bal n ALA 15 Ca 0.06 -0.03 0.17 0.00 0.00 0.00 0.00 53.44 53.64 1bal n ALA 15 Cb 0.52 -1.09 0.60 0.00 0.00 0.00 0.00 19.45 19.48 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 0.12 -0.22 0.00 2.10 -0.71 0.57 117.51 119.37 1bal h ILE 16 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.79 1bal h ILE 16 Cb 0.06 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 1bal h ILE 16 CO 0.00 0.00 -0.43 0.03 -1.08 0.00 0.00 178.15 176.67 1bal h ARG 17 N 0.00 0.68 0.00 2.19 2.47 -1.77 -2.87 114.38 115.07 1bal h ARG 17 Ca 0.15 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1bal h ARG 17 Cb 1.41 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 1bal h ARG 17 CO -0.00 1.06 0.00 0.00 0.56 0.00 0.00 179.97 181.59 1bal h ARG 18 N 0.38 0.00 -0.55 0.04 3.08 -0.14 -2.90 114.38 114.28 1bal h ARG 18 Ca 0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1bal h ARG 18 Cb 1.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1bal h ARG 18 CO 0.10 0.00 0.37 1.25 -1.07 0.00 0.00 179.97 180.62 1bal h LEU 19 N 0.00 0.46 -1.33 3.04 5.85 -1.20 0.16 115.31 122.29 1bal h LEU 19 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1bal h LEU 19 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1bal h LEU 19 CO 0.00 0.30 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.27 1bal h LEU 20 N 0.52 0.35 0.00 2.25 3.38 -1.63 -1.99 115.31 118.19 1bal h LEU 20 Ca 0.24 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1bal h LEU 20 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1bal h LEU 20 CO -0.07 0.46 -0.50 0.00 0.09 0.00 0.00 178.44 178.42 1bal h ALA 21 N 1.59 0.74 0.00 1.53 0.00 -1.19 -2.03 119.26 119.90 1bal h ALA 21 Ca 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1bal h ALA 21 Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bal h ALA 21 CO 0.02 0.46 -0.08 1.49 0.00 0.00 0.00 179.25 181.13 1bal h GLU 22 N 0.00 0.00 -0.01 0.00 4.57 -0.47 -2.83 114.58 115.84 1bal h GLU 22 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1bal h GLU 22 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1bal h GLU 22 CO 0.04 0.08 -0.74 0.72 -1.18 0.00 0.00 179.01 177.93 1bal n HIS 23 N -3.18 0.00 -2.95 0.92 8.25 -1.03 -4.97 115.22 112.25 1bal n HIS 23 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 1bal n HIS 23 Cb 0.40 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.88 -3.93 -3.96 0.41 2.85 -1.07 -5.04 115.26 103.64 1bal n ASN 24 Ca 0.06 -0.23 -0.12 0.00 -0.11 0.00 0.00 54.58 54.18 1bal n ASN 24 Cb 0.37 -2.52 -0.13 0.00 1.24 0.00 0.00 39.78 38.74 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bal s LEU 25 N -3.77 2.12 0.10 1.20 1.43 -0.78 -5.05 118.68 113.93 1bal s LEU 25 Ca 0.25 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1bal s LEU 25 Cb -0.11 -0.05 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 1bal s LEU 25 CO 0.31 -0.12 0.38 -0.62 0.23 0.00 0.00 176.35 176.53 1bal s ASP 26 N -0.77 6.56 0.41 2.29 2.15 -1.26 -4.36 116.67 121.69 1bal s ASP 26 Ca -0.07 0.69 0.29 0.00 0.43 0.00 0.00 52.55 53.89 1bal s ASP 26 Cb -0.05 -2.13 1.36 0.00 -0.30 0.00 0.00 42.92 41.80 1bal s ASP 26 CO -0.00 0.13 1.87 0.00 -0.17 0.00 0.00 175.17 177.00 1bal h ALA 27 N 3.40 1.00 -1.08 3.66 0.00 -1.93 -2.76 119.26 121.55 1bal h ALA 27 Ca -0.48 0.00 0.30 0.00 0.00 0.00 0.00 54.91 54.73 1bal h ALA 27 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1bal h ALA 27 CO 0.69 0.00 0.75 0.77 0.00 0.00 0.00 179.25 181.46 1bal h SER 28 N 0.00 0.15 0.70 0.00 0.02 -2.02 0.52 113.55 112.93 1bal h SER 28 Ca 0.00 0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 1bal h SER 28 Cb 0.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1bal h SER 28 CO 0.00 0.03 -1.43 0.00 -1.14 0.00 0.00 176.83 174.29 1bal h ALA 29 N 1.51 0.66 -1.97 3.77 0.00 -1.91 -3.43 119.26 117.88 1bal h ALA 29 Ca 0.55 -1.16 -0.60 0.00 0.00 0.00 0.00 54.91 53.70 1bal h ALA 29 Cb 1.90 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.87 1bal h ALA 29 CO -0.11 1.32 0.54 0.42 0.00 0.00 0.00 179.25 181.42 1bal s ILE 30 N -2.71 4.53 0.71 0.00 -1.09 0.18 -5.03 121.20 117.78 1bal s ILE 30 Ca -0.03 0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 59.06 1bal s ILE 30 Cb 0.08 -4.39 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1bal s ILE 30 CO 0.82 -0.75 1.07 -0.54 -1.23 0.00 0.00 174.94 174.30 1bal s LYS 31 N 3.61 2.83 -0.57 2.79 1.02 -1.26 -4.87 119.74 123.30 1bal s LYS 31 Ca 0.36 0.86 -0.18 0.00 0.02 0.00 0.00 55.97 57.03 1bal s LYS 31 Cb -0.11 -1.99 0.11 0.00 -0.52 0.00 0.00 37.83 35.33 1bal s LYS 31 CO 0.24 -1.15 0.62 0.20 -0.92 0.00 0.00 175.35 174.34 1bal s GLY 32 N -3.87 1.90 -0.06 -3.33 0.00 -1.26 -4.80 107.32 95.88 1bal s GLY 32 Ca 0.58 -2.33 0.12 0.00 0.00 0.00 0.00 44.72 43.10 1bal s GLY 32 CO 0.55 1.42 1.34 -1.30 0.00 0.00 0.00 173.10 175.11 1bal n THR 33 N 5.43 1.13 -1.09 0.90 -2.24 -1.24 -2.75 114.28 114.41 1bal n THR 33 Ca -0.11 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 1bal n THR 33 Cb 0.42 0.04 0.24 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.80 1.59 0.19 3.38 0.00 -0.45 -4.78 107.32 106.46 1bal s GLY 34 Ca 0.34 -1.00 -0.33 0.00 0.00 0.00 0.00 44.72 43.73 1bal s GLY 34 CO 0.17 -0.09 1.66 -0.62 0.00 0.00 0.00 173.10 174.22 1bal n VAL 35 N -4.79 0.02 0.00 1.40 0.31 -1.26 -0.43 118.33 113.58 1bal n VAL 35 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1bal n VAL 35 Cb 0.60 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 3.72 2.98 0.03 2.92 0.00 -1.26 -3.99 105.19 109.59 1bal n GLY 36 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.85 3.03 -0.02 0.00 0.43 -5.12 105.19 102.37 1bal n GLY 37 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 1bal n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bal s ARG 38 N -2.02 0.45 0.31 1.61 1.70 -1.11 -4.79 118.95 115.10 1bal s ARG 38 Ca 0.00 -0.86 -0.29 0.00 -0.47 0.00 0.00 55.73 54.11 1bal s ARG 38 Cb 0.00 0.16 -0.11 0.00 -0.57 0.00 0.00 34.95 34.43 1bal s ARG 38 CO 0.00 -0.08 1.51 -1.17 -1.08 0.00 0.00 175.30 174.48 1bal s LEU 39 N -2.08 4.35 0.00 -1.89 2.96 -1.26 -1.34 118.68 119.42 1bal s LEU 39 Ca -0.06 2.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 1bal s LEU 39 Cb -0.02 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1bal s LEU 39 CO -0.05 -0.83 0.00 0.35 -1.32 0.00 0.00 176.35 174.51 1bal n THR 40 N 1.58 0.00 -0.00 3.68 -2.24 -1.26 -4.89 114.28 111.15 1bal n THR 40 Ca 0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1bal n THR 40 Cb 0.39 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.13 -0.45 -0.78 0.63 -1.26 -4.69 116.66 110.23 1bal n ARG 41 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1bal n ARG 41 Cb 0.00 -1.01 -0.01 0.00 0.45 0.00 0.00 32.46 31.89 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 -2.49 0.90 0.00 -0.14 -0.58 -1.26 -3.41 120.64 113.67 1bal n GLU 42 Ca -0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1bal n GLU 42 Cb 0.50 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N 1.65 0.26 -0.03 1.62 9.92 -1.26 -4.69 116.55 124.01 1bal n ASP 43 Ca 0.03 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.14 1bal n ASP 43 Cb 0.45 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.83 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 0.00 1.48 -0.92 2.53 2.07 -1.86 -3.24 116.25 116.32 1bal h VAL 44 Ca 0.00 -1.71 0.09 0.00 0.82 0.00 0.00 66.70 65.91 1bal h VAL 44 Cb 0.49 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 1bal h VAL 44 CO 0.00 0.47 0.56 1.05 0.02 0.00 0.00 177.57 179.67 1bal h GLU 45 N -0.38 0.91 0.00 1.57 4.11 -1.90 0.46 114.58 119.36 1bal h GLU 45 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1bal h GLU 45 Cb 0.88 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1bal h GLU 45 CO 0.04 0.60 0.00 1.17 0.07 0.00 0.00 179.01 180.90 1bal n LYS 46 N -4.65 0.01 -0.12 1.06 4.81 -1.22 -1.58 118.16 116.46 1bal n LYS 46 Ca 0.15 0.41 -0.19 0.00 -0.87 0.00 0.00 58.31 57.82 1bal n LYS 46 Cb 0.28 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.70 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 -1.42 0.12 0.82 5.64 -0.00 0.16 -4.28 115.22 116.25 1bal n HIS 47 Ca 0.00 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1bal n HIS 47 Cb 0.01 -1.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.87 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 -3.31 2.67 0.00 0.27 4.77 -0.62 -4.85 117.00 115.94 1bal n LEU 48 Ca -0.45 -1.33 -0.10 0.00 -0.03 0.00 0.00 56.01 54.10 1bal n LEU 48 Cb 0.99 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 41.71 1bal n LEU 48 CO 0.27 0.45 0.21 0.00 -1.33 0.00 0.00 177.39 176.99 1bal n ALA 49 N 0.60 -1.11 -0.05 -1.18 0.00 -1.21 -5.03 120.51 112.54 1bal n ALA 49 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.86 1bal n ALA 49 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 1bal n ALA 49 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bal h LYS 50 N 0.00 0.00 0.00 0.00 1.57 -1.95 -3.53 116.57 112.67 1bal h LYS 50 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1bal h LYS 50 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bal h LYS 50 CO 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.97