#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 4.43 -0.84 -0.72 0.00 -1.26 -4.43 120.51 117.68 1bal n ALA 2 Ca 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.29 1bal n ALA 2 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.26 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 5.71 0.00 -4.51 0.00 7.64 -1.26 -5.10 113.62 116.10 1bal n SER 3 Ca 0.42 0.00 -0.54 0.00 1.01 0.00 0.00 58.87 59.76 1bal n SER 3 Cb 0.41 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 1bal n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bal n LEU 4 N -1.23 0.29 -4.51 -3.43 -0.00 -1.26 -4.52 117.00 102.34 1bal n LEU 4 Ca 0.00 1.15 -0.30 0.00 -0.00 0.00 0.00 56.01 56.85 1bal n LEU 4 Cb 0.00 -1.03 -0.16 0.00 -0.00 0.00 0.00 43.42 42.23 1bal n LEU 4 CO 0.00 -1.89 2.05 -1.84 -0.00 0.00 0.00 177.39 175.71 1bal n GLU 5 N 1.57 0.16 0.00 1.47 0.28 -1.26 -4.86 120.64 118.00 1bal n GLU 5 Ca 0.18 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1bal n GLU 5 Cb 0.17 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.31 1bal n GLU 5 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1bal n GLU 6 N 7.39 -0.52 -2.09 3.44 0.28 -1.26 -4.84 120.64 123.04 1bal n GLU 6 Ca 0.62 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 57.19 1bal n GLU 6 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bal n GLN 7 N -1.17 3.05 0.00 3.44 6.02 -1.26 -3.91 117.38 123.54 1bal n GLN 7 Ca 0.00 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.05 1bal n GLN 7 Cb 0.00 -3.31 0.00 0.00 1.02 0.00 0.00 30.24 27.95 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1bal n ASN 8 N 6.56 0.00 -3.35 1.08 4.05 -1.26 -5.08 115.26 117.26 1bal n ASN 8 Ca 0.49 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 55.23 1bal n ASN 8 Cb 0.41 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.45 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1bal n ASN 9 N 0.00 -6.14 -3.81 1.20 5.03 -1.25 -5.00 115.26 105.29 1bal n ASN 9 Ca 0.00 -0.04 -0.12 0.00 0.87 0.00 0.00 54.58 55.28 1bal n ASN 9 Cb 0.00 -2.71 -0.11 0.00 -1.02 0.00 0.00 39.78 35.94 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1bal s ASP 10 N -1.92 -0.18 -0.26 6.41 -4.77 -1.26 -5.14 116.67 109.56 1bal s ASP 10 Ca 0.31 0.30 -0.02 0.00 -3.30 0.00 0.00 52.55 49.84 1bal s ASP 10 Cb -0.04 0.40 0.15 0.00 -1.09 0.00 0.00 42.92 42.33 1bal s ASP 10 CO 0.85 -0.15 0.42 0.00 0.70 0.00 0.00 175.17 176.99 1bal s ALA 11 N -0.25 -1.34 0.34 2.11 0.00 -1.26 -5.08 121.76 116.28 1bal s ALA 11 Ca -0.04 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 1bal s ALA 11 Cb -0.03 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1bal s ALA 11 CO 0.01 -1.28 0.58 -0.51 0.00 0.00 0.00 175.76 174.57 1bal s LEU 12 N 2.61 3.98 -0.13 0.00 1.43 -1.26 -5.01 118.68 120.29 1bal s LEU 12 Ca 0.14 0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 53.58 1bal s LEU 12 Cb -0.15 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1bal s LEU 12 CO -0.17 -0.29 1.84 -0.44 0.23 0.00 0.00 176.35 177.52 1bal s SER 13 N -3.68 6.23 0.00 2.29 0.01 -1.26 -4.82 113.70 112.48 1bal s SER 13 Ca 0.43 2.02 0.02 0.00 1.31 0.00 0.00 55.95 59.73 1bal s SER 13 Cb -0.10 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.69 1bal s SER 13 CO 0.35 -1.32 0.97 -2.65 0.41 0.00 0.00 173.24 171.00 1bal n PRO 14 N 7.80 0.01 0.00 12.44 -0.02 -1.26 -0.26 135.00 153.71 1bal n PRO 14 Ca 0.21 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 1bal n PRO 14 Cb 0.44 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.45 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -1.40 3.91 0.15 3.55 0.00 -1.26 -4.10 120.51 121.36 1bal n ALA 15 Ca 0.01 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 52.92 1bal n ALA 15 Cb 0.02 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 1.23 0.70 -0.07 0.00 2.10 -1.01 -3.28 117.51 117.20 1bal h ILE 16 Ca 0.00 -2.00 -0.07 0.00 1.08 0.00 0.00 64.86 63.87 1bal h ILE 16 Cb 0.61 2.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.69 1bal h ILE 16 CO 0.00 0.40 -0.24 0.03 -1.08 0.00 0.00 178.15 177.26 1bal h ARG 17 N 0.00 0.28 0.00 2.19 3.08 -1.71 -2.84 114.38 115.38 1bal h ARG 17 Ca -0.01 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1bal h ARG 17 Cb 1.32 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1bal h ARG 17 CO 0.05 0.84 0.00 0.54 -1.07 0.00 0.00 179.97 180.33 1bal n ARG 18 N -4.51 0.20 -0.06 0.04 1.74 -1.24 -2.84 116.66 109.99 1bal n ARG 18 Ca -0.08 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.05 1bal n ARG 18 Cb 0.45 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.00 0.00 -1.95 0.55 5.85 -1.55 -3.15 115.31 115.06 1bal h LEU 19 Ca 0.00 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1bal h LEU 19 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1bal h LEU 19 CO 0.00 0.77 0.17 -0.07 -0.34 0.00 0.00 178.44 178.97 1bal h LEU 20 N -1.00 0.06 0.00 2.25 3.38 -1.56 0.32 115.31 118.76 1bal h LEU 20 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1bal h LEU 20 Cb 0.47 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bal h LEU 20 CO -0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1bal n ALA 21 N -2.57 2.28 -0.08 1.53 0.00 -1.18 0.49 120.51 120.98 1bal n ALA 21 Ca 0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1bal n ALA 21 Cb 0.27 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 1bal n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bal n GLU 22 N -1.40 0.65 -0.01 0.00 4.07 0.11 -4.50 120.64 119.57 1bal n GLU 22 Ca 0.10 0.32 0.05 0.00 -0.06 0.00 0.00 57.16 57.56 1bal n GLU 22 Cb 0.26 -1.63 -0.13 0.00 -0.06 0.00 0.00 31.44 29.88 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1bal n HIS 23 N -3.83 0.29 -3.12 4.31 8.25 -0.91 -4.99 115.22 115.23 1bal n HIS 23 Ca -0.40 0.09 -0.15 0.00 -0.26 0.00 0.00 57.72 57.00 1bal n HIS 23 Cb 0.91 -0.76 0.05 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.52 -4.79 -4.90 0.41 2.85 0.18 -5.01 115.26 101.49 1bal n ASN 24 Ca -0.10 -0.32 -0.33 0.00 -0.11 0.00 0.00 54.58 53.72 1bal n ASN 24 Cb 0.73 -3.43 -0.05 0.00 1.24 0.00 0.00 39.78 38.27 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 -4.97 4.36 0.01 1.20 1.43 -1.24 -5.06 118.68 114.41 1bal s LEU 25 Ca 0.34 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 1bal s LEU 25 Cb -0.15 -2.74 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1bal s LEU 25 CO 0.43 0.23 0.54 -0.62 0.23 0.00 0.00 176.35 177.15 1bal s ASP 26 N -1.99 6.95 0.26 2.29 -1.08 -1.26 -4.91 116.67 116.93 1bal s ASP 26 Ca 0.30 1.12 0.21 0.00 -0.52 0.00 0.00 52.55 53.66 1bal s ASP 26 Cb -0.13 -2.33 0.08 0.00 -1.46 0.00 0.00 42.92 39.08 1bal s ASP 26 CO 0.20 0.19 1.22 0.00 0.52 0.00 0.00 175.17 177.30 1bal h ALA 27 N 5.19 0.69 -0.25 3.66 0.00 -1.98 -3.30 119.26 123.26 1bal h ALA 27 Ca -0.47 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.33 1bal h ALA 27 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1bal h ALA 27 CO 0.67 0.20 0.20 0.77 0.00 0.00 0.00 179.25 181.09 1bal h SER 28 N 0.00 0.00 1.41 0.00 0.02 -2.02 0.17 113.55 113.13 1bal h SER 28 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1bal h SER 28 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1bal h SER 28 CO 0.01 0.00 -0.60 0.00 -1.14 0.00 0.00 176.83 175.10 1bal h ALA 29 N 1.83 0.73 -2.89 3.77 0.00 -2.00 -3.44 119.26 117.26 1bal h ALA 29 Ca 0.12 -0.16 -0.58 0.00 0.00 0.00 0.00 54.91 54.29 1bal h ALA 29 Cb 0.52 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1bal h ALA 29 CO -0.00 0.19 -0.15 0.42 0.00 0.00 0.00 179.25 179.72 1bal s ILE 30 N -3.20 5.16 0.40 0.00 -1.09 0.61 -5.07 121.20 118.00 1bal s ILE 30 Ca 0.03 0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 59.34 1bal s ILE 30 Cb 0.07 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1bal s ILE 30 CO 0.74 0.36 0.68 -0.54 -1.23 0.00 0.00 174.94 174.95 1bal s LYS 31 N 0.37 3.58 0.49 2.79 1.02 -1.26 -4.92 119.74 121.81 1bal s LYS 31 Ca 0.26 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.31 1bal s LYS 31 Cb -0.15 -2.50 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1bal s LYS 31 CO 0.11 -0.01 0.73 0.20 -0.92 0.00 0.00 175.35 175.46 1bal s GLY 32 N -3.74 1.58 0.00 -3.33 0.00 -1.25 -4.94 107.32 95.64 1bal s GLY 32 Ca 0.46 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 44.28 1bal s GLY 32 CO 0.38 -0.76 0.96 -1.30 0.00 0.00 0.00 173.10 172.37 1bal n THR 33 N -2.21 0.00 -0.20 0.90 -2.24 -1.06 -4.73 114.28 104.74 1bal n THR 33 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1bal n THR 33 Cb 0.58 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.13 -0.48 2.59 3.38 0.00 -1.22 -4.83 105.19 104.76 1bal n GLY 34 Ca -0.01 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 3.39 0.00 1.61 0.31 -1.26 -3.28 118.33 119.10 1bal n VAL 35 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 64.34 61.96 1bal n VAL 35 Cb 0.00 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.44 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 3.89 1.16 0.00 2.92 0.00 -1.26 -4.84 105.19 107.06 1bal n GLY 36 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 1.11 3.73 -0.02 0.00 -1.20 -5.02 105.19 103.79 1bal n GLY 37 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.77 -0.46 1.61 0.52 -1.26 -3.87 118.95 117.26 1bal s ARG 38 Ca 0.00 1.40 -0.18 0.00 -0.52 0.00 0.00 55.73 56.43 1bal s ARG 38 Cb 0.00 -1.82 0.04 0.00 0.52 0.00 0.00 34.95 33.69 1bal s ARG 38 CO 0.00 -2.04 0.53 -1.17 0.02 0.00 0.00 175.30 172.64 1bal s LEU 39 N -6.05 4.94 0.00 2.53 2.96 -1.26 -2.57 118.68 119.24 1bal s LEU 39 Ca 0.65 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1bal s LEU 39 Cb -0.21 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.05 1bal s LEU 39 CO 0.55 -0.73 0.00 0.35 -1.32 0.00 0.00 176.35 175.20 1bal n THR 40 N 5.53 0.00 -0.06 3.68 -2.24 -1.26 -5.03 114.28 114.89 1bal n THR 40 Ca -0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1bal n THR 40 Cb 0.46 -1.25 -0.15 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.44 0.66 0.00 -0.78 0.63 -1.26 -4.00 116.66 111.48 1bal n ARG 41 Ca 0.00 0.12 0.08 0.00 -0.92 0.00 0.00 57.85 57.13 1bal n ARG 41 Cb 0.00 -1.64 0.48 0.00 0.45 0.00 0.00 32.46 31.75 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -2.87 0.70 -0.04 -0.14 2.13 -1.26 -2.49 120.64 116.67 1bal n GLU 42 Ca -0.26 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.57 1bal n GLU 42 Cb 1.11 -1.36 -0.15 0.00 0.27 0.00 0.00 31.44 31.31 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bal n ASP 43 N -0.86 0.16 -0.10 4.31 9.92 -1.26 -4.38 116.55 124.35 1bal n ASP 43 Ca 0.12 0.07 -0.24 0.00 -0.53 0.00 0.00 54.79 54.21 1bal n ASP 43 Cb 0.06 1.26 -0.12 0.00 -0.64 0.00 0.00 41.12 41.68 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bal n VAL 44 N -2.57 1.58 -0.12 2.53 0.31 -1.04 -4.12 118.33 114.89 1bal n VAL 44 Ca -0.17 -0.32 0.27 0.00 -0.01 0.00 0.00 64.34 64.11 1bal n VAL 44 Cb 0.85 -1.86 0.59 0.00 -0.91 0.00 0.00 33.84 32.51 1bal n VAL 44 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1bal h GLU 45 N -0.67 0.00 -1.42 5.55 4.11 -1.73 0.60 114.58 121.01 1bal h GLU 45 Ca -0.50 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.64 1bal h GLU 45 Cb 1.61 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.72 1bal h GLU 45 CO -0.20 0.00 0.38 1.17 0.07 0.00 0.00 179.01 180.43 1bal n LYS 46 N -3.48 1.74 0.00 1.06 3.00 -1.26 -3.55 118.16 115.66 1bal n LYS 46 Ca 0.18 -1.49 0.00 0.00 -0.00 0.00 0.00 58.31 57.00 1bal n LYS 46 Cb 1.20 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.65 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 0.25 0.00 -2.24 5.64 -0.00 0.21 -5.09 115.22 113.99 1bal n HIS 47 Ca 0.29 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.44 1bal n HIS 47 Cb 0.67 0.02 0.01 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 0.00 0.00 -2.91 0.27 4.77 -1.23 -5.11 117.00 112.79 1bal n LEU 48 Ca 0.00 -0.20 0.02 0.00 -0.03 0.00 0.00 56.01 55.79 1bal n LEU 48 Cb 0.45 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1bal n LEU 48 CO 0.00 -0.55 0.37 0.00 -1.33 0.00 0.00 177.39 175.88 1bal s ALA 49 N -2.84 -3.87 -0.20 -1.18 0.00 -1.26 -5.14 121.76 107.27 1bal s ALA 49 Ca 0.07 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 1bal s ALA 49 Cb -0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1bal s ALA 49 CO 0.04 -2.39 0.30 0.21 0.00 0.00 0.00 175.76 173.92 1bal s LYS 50 N 2.01 4.17 0.00 0.00 2.20 -1.26 -5.32 119.74 121.54 1bal s LYS 50 Ca 0.16 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1bal s LYS 50 Cb 0.01 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1bal s LYS 50 CO -0.14 0.07 0.41 0.00 -0.36 0.00 0.00 175.35 175.33