#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 6.54 -2.26 -0.72 0.00 -1.26 -4.95 120.51 117.86 1bal n ALA 2 Ca 0.00 -4.12 -0.26 0.00 0.00 0.00 0.00 53.44 49.05 1bal n ALA 2 Cb 0.00 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 16.97 1bal n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bal s SER 3 N -0.22 6.06 0.00 0.00 0.01 -1.26 -4.95 113.70 113.35 1bal s SER 3 Ca 0.50 0.77 0.19 0.00 1.31 0.00 0.00 55.95 58.72 1bal s SER 3 Cb 0.22 -2.03 0.86 0.00 0.21 0.00 0.00 66.02 65.28 1bal s SER 3 CO -0.14 -0.68 1.60 0.18 0.41 0.00 0.00 173.24 174.61 1bal n LEU 4 N -2.28 0.00 -0.19 2.44 4.77 -1.26 -2.96 117.00 117.52 1bal n LEU 4 Ca 0.01 0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1bal n LEU 4 Cb 0.56 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1bal n LEU 4 CO 0.52 -0.15 0.91 -0.33 -1.33 0.00 0.00 177.39 177.01 1bal h GLU 5 N 0.00 0.99 -6.39 3.23 5.08 -1.97 -3.39 114.58 112.13 1bal h GLU 5 Ca 0.00 -0.25 -0.56 0.00 -1.00 0.00 0.00 59.36 57.55 1bal h GLU 5 Cb 0.27 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1bal h GLU 5 CO 0.00 0.92 1.15 -2.00 -1.00 0.00 0.00 179.01 178.08 1bal s GLU 6 N -5.15 3.36 -0.28 2.33 2.12 -1.15 -4.93 118.70 114.99 1bal s GLU 6 Ca -0.11 0.88 -0.11 0.00 0.36 0.00 0.00 54.97 56.00 1bal s GLU 6 Cb 0.15 -4.12 0.12 0.00 0.26 0.00 0.00 34.13 30.53 1bal s GLU 6 CO 0.83 -1.84 0.63 -1.14 -0.54 0.00 0.00 175.26 173.20 1bal s GLN 7 N 5.44 0.57 0.00 4.30 0.74 -1.26 -4.98 119.66 124.47 1bal s GLN 7 Ca 0.63 1.36 0.09 0.00 0.05 0.00 0.00 55.36 57.50 1bal s GLN 7 Cb -0.15 0.67 0.56 0.00 1.10 0.00 0.00 33.01 35.19 1bal s GLN 7 CO 0.30 -0.20 1.29 0.27 -0.55 0.00 0.00 175.29 176.40 1bal n ASN 8 N 5.22 0.00 -3.05 6.67 6.94 -1.26 -4.85 115.26 124.93 1bal n ASN 8 Ca -0.13 -1.54 -0.03 0.00 -0.02 0.00 0.00 54.58 52.86 1bal n ASN 8 Cb 0.51 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1bal n ASN 9 N -0.66 -1.68 -4.48 0.53 4.13 -1.26 -4.76 115.26 107.08 1bal n ASN 9 Ca 0.07 -0.08 -0.45 0.00 1.68 0.00 0.00 54.58 55.80 1bal n ASN 9 Cb 0.03 -0.12 -0.01 0.00 -1.54 0.00 0.00 39.78 38.14 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1bal n ASP 10 N -2.22 -0.29 -3.67 6.41 8.00 -1.26 -4.95 116.55 118.56 1bal n ASP 10 Ca 0.01 1.07 -0.02 0.00 0.71 0.00 0.00 54.79 56.57 1bal n ASP 10 Cb 0.06 -1.11 -0.01 0.00 -0.02 0.00 0.00 41.12 40.03 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal s ALA 11 N -1.18 -1.92 0.92 2.24 0.00 -1.26 -5.13 121.76 115.43 1bal s ALA 11 Ca 0.62 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1bal s ALA 11 Cb -0.75 0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1bal s ALA 11 CO 0.58 -0.99 0.00 1.28 0.00 0.00 0.00 175.76 176.63 1bal n LEU 12 N -0.44 0.00 -3.44 0.00 4.77 -1.26 -5.03 117.00 111.60 1bal n LEU 12 Ca -0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 1bal n LEU 12 Cb 0.61 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1bal n LEU 12 CO 0.12 -0.54 -0.20 -0.55 -1.33 0.00 0.00 177.39 174.89 1bal s SER 13 N -2.07 1.88 0.00 -1.43 0.15 -1.26 -4.98 113.70 105.99 1bal s SER 13 Ca 0.00 -0.73 0.02 0.00 0.70 0.00 0.00 55.95 55.95 1bal s SER 13 Cb 0.00 0.37 0.12 0.00 -1.71 0.00 0.00 66.02 64.79 1bal s SER 13 CO 0.00 -0.38 0.98 -2.65 1.20 0.00 0.00 173.24 172.39 1bal n PRO 14 N 5.30 0.02 0.00 5.44 -0.02 -1.26 -0.04 135.00 144.44 1bal n PRO 14 Ca -0.03 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1bal n PRO 14 Cb 0.46 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.39 2.79 0.23 3.55 0.00 -1.26 -4.33 120.51 120.10 1bal n ALA 15 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 53.44 52.87 1bal n ALA 15 Cb 0.02 -0.88 0.28 0.00 0.00 0.00 0.00 19.45 18.87 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 3.59 0.00 0.02 0.00 2.10 -0.87 0.46 117.51 122.80 1bal h ILE 16 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 1bal h ILE 16 Cb 0.84 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1bal h ILE 16 CO 0.00 0.00 -0.15 0.03 -1.08 0.00 0.00 178.15 176.95 1bal h ARG 17 N 0.00 0.07 -0.43 2.19 3.08 -1.81 -3.32 114.38 114.15 1bal h ARG 17 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1bal h ARG 17 Cb 1.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1bal h ARG 17 CO 0.00 0.98 0.00 0.54 -1.07 0.00 0.00 179.97 180.42 1bal n ARG 18 N -4.55 2.33 0.05 0.04 1.74 0.10 -4.09 116.66 112.28 1bal n ARG 18 Ca -0.10 -2.03 0.11 0.00 -0.77 0.00 0.00 57.85 55.06 1bal n ARG 18 Cb 0.51 -1.48 0.46 0.00 -1.02 0.00 0.00 32.46 30.94 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N 1.20 0.34 -0.05 0.55 7.94 0.12 -0.56 117.00 126.53 1bal n LEU 19 Ca 0.19 0.55 -0.06 0.00 -1.11 0.00 0.00 56.01 55.58 1bal n LEU 19 Cb 0.52 -0.47 -0.14 0.00 0.53 0.00 0.00 43.42 43.85 1bal n LEU 19 CO 0.15 -0.23 -0.79 0.18 -1.11 0.00 0.00 177.39 175.58 1bal n LEU 20 N -1.84 0.41 -0.06 -1.96 4.77 -1.26 -4.21 117.00 112.85 1bal n LEU 20 Ca 0.05 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1bal n LEU 20 Cb 0.29 0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1bal n LEU 20 CO 0.23 0.37 -1.04 0.00 -1.33 0.00 0.00 177.39 175.61 1bal n ALA 21 N -2.60 1.12 -0.28 -1.18 0.00 -1.16 -0.33 120.51 116.08 1bal n ALA 21 Ca -0.22 -0.82 0.10 0.00 0.00 0.00 0.00 53.44 52.50 1bal n ALA 21 Cb 1.03 -0.41 0.25 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.05 0.36 -0.43 0.00 4.57 -1.06 0.41 114.58 118.38 1bal h GLU 22 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1bal h GLU 22 Cb 1.93 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 1bal h GLU 22 CO -0.02 0.24 0.00 0.72 -1.18 0.00 0.00 179.01 178.77 1bal n HIS 23 N -5.08 0.57 -3.30 0.92 8.25 -1.26 -4.99 115.22 110.33 1bal n HIS 23 Ca 0.19 -0.28 -0.16 0.00 -0.26 0.00 0.00 57.72 57.20 1bal n HIS 23 Cb 0.56 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.68 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 1.35 -6.58 -3.76 0.41 4.13 0.15 -5.01 115.26 105.94 1bal n ASN 24 Ca 0.20 -0.20 -0.14 0.00 1.68 0.00 0.00 54.58 56.11 1bal n ASN 24 Cb 0.56 -3.62 -0.15 0.00 -1.54 0.00 0.00 39.78 35.03 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bal s LEU 25 N -3.67 0.97 0.34 3.41 1.43 0.55 -5.01 118.68 116.70 1bal s LEU 25 Ca 0.13 0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.14 1bal s LEU 25 Cb -0.02 0.08 -0.10 0.00 0.03 0.00 0.00 46.19 46.18 1bal s LEU 25 CO 0.82 -0.13 0.89 -1.81 0.23 0.00 0.00 176.35 176.34 1bal s ASP 26 N 1.09 7.12 0.20 2.29 1.01 -1.26 -4.66 116.67 122.46 1bal s ASP 26 Ca -0.09 1.66 0.15 0.00 0.71 0.00 0.00 52.55 54.98 1bal s ASP 26 Cb -0.12 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1bal s ASP 26 CO -0.04 -0.15 1.25 0.00 0.21 0.00 0.00 175.17 176.44 1bal h ALA 27 N 2.75 0.64 -0.91 5.23 0.00 -1.94 -3.29 119.26 121.74 1bal h ALA 27 Ca -0.48 -0.60 0.16 0.00 0.00 0.00 0.00 54.91 53.99 1bal h ALA 27 Cb 1.19 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1bal h ALA 27 CO 0.64 0.75 0.59 0.77 0.00 0.00 0.00 179.25 182.00 1bal h SER 28 N 0.00 0.64 0.33 0.00 0.02 -2.05 0.18 113.55 112.67 1bal h SER 28 Ca -0.05 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1bal h SER 28 Cb 1.47 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1bal h SER 28 CO 0.06 0.31 -0.48 0.00 -1.14 0.00 0.00 176.83 175.58 1bal h ALA 29 N 1.60 1.05 -2.29 3.77 0.00 -1.99 -3.44 119.26 117.97 1bal h ALA 29 Ca 0.47 -0.46 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 1bal h ALA 29 Cb 0.80 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.55 1bal h ALA 29 CO -0.22 0.64 0.40 0.42 0.00 0.00 0.00 179.25 180.48 1bal s ILE 30 N -3.98 4.57 -0.08 0.00 -1.09 0.64 -5.07 121.20 116.19 1bal s ILE 30 Ca -0.04 1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 59.38 1bal s ILE 30 Cb 0.13 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1bal s ILE 30 CO 0.77 -0.92 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.01 1bal s LYS 31 N -4.68 0.74 0.94 2.79 1.02 -1.26 -4.97 119.74 114.32 1bal s LYS 31 Ca 0.57 0.05 -0.14 0.00 0.02 0.00 0.00 55.97 56.47 1bal s LYS 31 Cb -0.11 -1.08 0.16 0.00 -0.52 0.00 0.00 37.83 36.28 1bal s LYS 31 CO 0.44 -0.30 1.17 0.20 -0.92 0.00 0.00 175.35 175.94 1bal s GLY 32 N 1.93 1.61 0.00 -3.33 0.00 -1.26 -4.94 107.32 101.33 1bal s GLY 32 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1bal s GLY 32 CO -0.06 -0.07 0.39 -1.30 0.00 0.00 0.00 173.10 172.05 1bal n THR 33 N -3.83 0.00 -0.84 0.90 -2.24 -1.25 -4.89 114.28 102.13 1bal n THR 33 Ca 0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 1bal n THR 33 Cb 0.60 0.58 0.10 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.00 -2.92 0.39 3.38 0.00 -1.23 -4.59 105.19 100.23 1bal n GLY 34 Ca 0.00 -0.66 0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.48 0.73 -0.33 1.61 2.07 -2.00 0.36 116.25 117.21 1bal h VAL 35 Ca -0.46 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1bal h VAL 35 Cb 1.33 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1bal h VAL 35 CO 0.31 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1bal n GLY 36 N -1.50 1.60 1.91 2.17 0.00 -1.26 -4.92 105.19 103.18 1bal n GLY 36 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.43 0.43 3.80 -0.02 0.00 0.13 -5.03 105.19 105.93 1bal n GLY 37 Ca 0.18 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.08 4.37 -0.70 1.61 0.52 -1.26 -4.70 118.95 115.71 1bal s ARG 38 Ca 0.00 1.22 -0.26 0.00 -0.52 0.00 0.00 55.73 56.18 1bal s ARG 38 Cb 0.00 -2.45 0.04 0.00 0.52 0.00 0.00 34.95 33.06 1bal s ARG 38 CO 0.00 0.09 1.17 -1.17 0.02 0.00 0.00 175.30 175.42 1bal s LEU 39 N -2.69 3.56 0.00 2.53 2.96 -1.26 -3.47 118.68 120.30 1bal s LEU 39 Ca 0.57 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1bal s LEU 39 Cb -0.14 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.04 1bal s LEU 39 CO 0.18 -1.69 0.40 0.35 -1.32 0.00 0.00 176.35 174.28 1bal n THR 40 N 6.26 0.00 0.13 3.68 -2.24 -1.26 -5.01 114.28 115.84 1bal n THR 40 Ca 0.01 -0.79 0.08 0.00 -2.27 0.00 0.00 64.05 61.08 1bal n THR 40 Cb 0.48 -0.97 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1bal n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1bal h ARG 41 N 0.00 0.00 0.00 -0.78 2.43 -2.00 -3.28 114.38 110.75 1bal h ARG 41 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1bal h ARG 41 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1bal h ARG 41 CO 0.17 0.16 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 1bal n GLU 42 N -2.94 0.29 0.00 0.20 1.02 -1.26 -1.30 120.64 116.66 1bal n GLU 42 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1bal n GLU 42 Cb 0.64 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 -0.68 4.70 0.01 1.62 8.00 -1.24 -4.63 116.55 124.34 1bal n ASP 43 Ca 0.02 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.63 1bal n ASP 43 Cb 0.01 0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.65 0.05 0.12 2.53 0.31 -0.72 -3.98 118.33 115.00 1bal n VAL 44 Ca 0.00 -0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 63.87 1bal n VAL 44 Cb 0.22 0.46 -0.16 0.00 -0.91 0.00 0.00 33.84 33.45 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 0.50 -0.00 5.55 4.22 -1.47 -3.06 114.58 120.32 1bal h GLU 45 Ca 0.00 -0.84 0.00 0.00 0.08 0.00 0.00 59.36 58.60 1bal h GLU 45 Cb 0.71 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1bal h GLU 45 CO 0.00 1.40 -0.00 1.17 -2.18 0.00 0.00 179.01 179.39 1bal n LYS 46 N -3.82 0.87 -0.07 1.92 4.81 -1.26 -3.36 118.16 117.24 1bal n LYS 46 Ca -0.16 -0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.12 1bal n LYS 46 Cb 1.04 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 34.44 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 -1.03 0.36 -1.66 5.64 -0.00 -1.22 -4.92 115.22 112.41 1bal n HIS 47 Ca 0.21 0.12 -0.60 0.00 0.46 0.00 0.00 57.72 57.91 1bal n HIS 47 Cb 0.16 -1.06 -0.08 0.00 -0.12 0.00 0.00 29.99 28.88 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 -2.94 1.89 -3.15 0.27 4.77 -1.16 -4.88 117.00 111.80 1bal n LEU 48 Ca -0.30 1.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.74 1bal n LEU 48 Cb 1.10 -1.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1bal n LEU 48 CO 0.41 -0.60 0.41 0.00 -1.33 0.00 0.00 177.39 176.29 1bal s ALA 49 N 3.97 -3.44 0.32 -1.18 0.00 -1.26 -4.98 121.76 115.18 1bal s ALA 49 Ca 1.03 1.34 0.10 0.00 0.00 0.00 0.00 51.96 54.43 1bal s ALA 49 Cb -1.21 -2.66 0.56 0.00 0.00 0.00 0.00 23.12 19.80 1bal s ALA 49 CO 0.69 -1.86 1.20 0.87 0.00 0.00 0.00 175.76 176.66 1bal h LYS 50 N 7.62 0.00 0.00 0.00 6.56 -1.99 -3.55 116.57 125.21 1bal h LYS 50 Ca -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1bal h LYS 50 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1bal h LYS 50 CO -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.37