#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 -1.37 -0.72 0.00 -1.26 -4.99 120.51 112.17 1bal n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.09 0.00 2.88 -1.26 -4.82 113.62 110.33 1bal n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bal n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.28 0.09 0.00 2.46 4.77 -1.26 -3.62 117.00 119.15 1bal n LEU 4 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1bal n LEU 4 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1bal n LEU 4 CO 0.00 0.02 0.00 1.21 -1.33 0.00 0.00 177.39 177.29 1bal n GLU 5 N -0.36 0.00 -2.11 3.23 2.13 -1.26 -4.82 120.64 117.44 1bal n GLU 5 Ca 0.00 0.12 -0.42 0.00 0.66 0.00 0.00 57.16 57.53 1bal n GLU 5 Cb 0.02 -0.60 -0.03 0.00 0.27 0.00 0.00 31.44 31.11 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1bal s GLU 6 N -0.93 3.21 0.11 5.31 2.12 -1.24 -4.84 118.70 122.44 1bal s GLU 6 Ca 0.00 1.05 0.02 0.00 0.36 0.00 0.00 54.97 56.40 1bal s GLU 6 Cb 0.00 -4.20 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 1bal s GLU 6 CO 0.00 -2.02 0.18 -1.14 -0.54 0.00 0.00 175.26 171.74 1bal s GLN 7 N 5.84 3.19 0.00 4.30 -0.44 -1.26 -4.92 119.66 126.37 1bal s GLN 7 Ca 0.71 -0.63 0.00 0.00 -2.50 0.00 0.00 55.36 52.94 1bal s GLN 7 Cb -0.17 -2.86 0.00 0.00 -1.64 0.00 0.00 33.01 28.34 1bal s GLN 7 CO 0.30 0.55 0.00 0.09 0.50 0.00 0.00 175.29 176.73 1bal n ASN 8 N -0.01 0.00 -3.06 6.67 3.02 -1.26 -5.05 115.26 115.56 1bal n ASN 8 Ca -0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.32 1bal n ASN 8 Cb 0.53 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.69 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bal n ASN 9 N 0.00 0.63 -0.35 6.41 5.03 -1.26 -4.86 115.26 120.87 1bal n ASN 9 Ca 0.00 -3.01 0.02 0.00 0.87 0.00 0.00 54.58 52.47 1bal n ASN 9 Cb 0.00 -0.38 0.03 0.00 -1.02 0.00 0.00 39.78 38.42 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1bal n ASP 10 N 0.22 0.63 -3.24 6.41 8.00 -1.26 -5.02 116.55 122.28 1bal n ASP 10 Ca 0.20 -2.20 0.04 0.00 0.71 0.00 0.00 54.79 53.54 1bal n ASP 10 Cb 0.69 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.73 -2.85 0.66 2.24 0.00 -1.26 -5.17 121.76 114.65 1bal s ALA 11 Ca 0.08 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1bal s ALA 11 Cb 0.07 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1bal s ALA 11 CO 0.01 -1.27 0.00 1.28 0.00 0.00 0.00 175.76 175.78 1bal n LEU 12 N 5.34 0.00 -4.59 0.00 4.77 -1.26 -5.02 117.00 116.24 1bal n LEU 12 Ca -0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1bal n LEU 12 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1bal n LEU 12 CO -0.05 -0.30 0.53 -0.44 -1.33 0.00 0.00 177.39 175.80 1bal s SER 13 N -1.00 6.54 0.27 -1.43 0.01 -1.26 -4.90 113.70 111.94 1bal s SER 13 Ca 0.00 0.37 0.19 0.00 1.31 0.00 0.00 55.95 57.83 1bal s SER 13 Cb 0.00 -2.38 1.01 0.00 0.21 0.00 0.00 66.02 64.86 1bal s SER 13 CO 0.00 -0.67 1.59 -2.65 0.41 0.00 0.00 173.24 171.92 1bal n PRO 14 N 6.27 0.13 -0.08 12.44 -0.02 -1.26 -0.15 135.00 152.33 1bal n PRO 14 Ca 0.02 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1bal n PRO 14 Cb 0.48 -1.89 0.31 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.74 2.49 0.31 3.55 0.00 -1.26 -4.05 120.51 119.81 1bal n ALA 15 Ca -0.01 -0.66 0.12 0.00 0.00 0.00 0.00 53.44 52.90 1bal n ALA 15 Cb 0.05 -1.00 0.57 0.00 0.00 0.00 0.00 19.45 19.07 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 3.26 0.00 0.06 0.00 2.10 -0.94 -2.19 117.51 119.80 1bal h ILE 16 Ca 0.00 -0.17 -0.25 0.00 1.08 0.00 0.00 64.86 65.52 1bal h ILE 16 Cb 0.71 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1bal h ILE 16 CO 0.00 0.00 -1.08 0.03 -1.08 0.00 0.00 178.15 176.02 1bal h ARG 17 N 0.00 0.34 0.00 2.19 3.08 -1.78 -3.20 114.38 115.01 1bal h ARG 17 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1bal h ARG 17 Cb 0.24 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1bal h ARG 17 CO 0.00 1.16 -0.35 0.54 -1.07 0.00 0.00 179.97 180.25 1bal n ARG 18 N -3.65 0.23 -0.29 0.04 1.74 -0.86 -3.85 116.66 110.02 1bal n ARG 18 Ca -0.08 0.12 0.03 0.00 -0.77 0.00 0.00 57.85 57.15 1bal n ARG 18 Cb 0.92 -1.69 0.17 0.00 -1.02 0.00 0.00 32.46 30.84 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 0.65 -0.42 0.55 5.85 -1.44 -0.03 115.31 120.46 1bal h LEU 19 Ca 0.00 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1bal h LEU 19 Cb 0.70 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1bal h LEU 19 CO 0.00 0.36 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.18 1bal h LEU 20 N 0.76 0.91 0.00 2.25 3.38 -1.73 -2.29 115.31 118.59 1bal h LEU 20 Ca 0.40 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bal h LEU 20 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1bal h LEU 20 CO -0.26 1.12 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1bal n ALA 21 N -2.50 2.10 -0.02 1.53 0.00 -0.59 0.33 120.51 121.36 1bal n ALA 21 Ca -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 21 Cb 0.44 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 0.00 0.20 0.00 0.00 4.57 -0.45 -3.39 114.58 115.51 1bal h GLU 22 Ca 0.00 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.69 1bal h GLU 22 Cb 0.11 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1bal h GLU 22 CO 0.00 1.16 -2.07 0.72 -1.18 0.00 0.00 179.01 177.64 1bal n HIS 23 N -3.84 0.11 -2.79 0.92 8.25 -1.15 -5.00 115.22 111.72 1bal n HIS 23 Ca -0.30 0.03 -0.08 0.00 -0.26 0.00 0.00 57.72 57.12 1bal n HIS 23 Cb 0.92 -0.75 0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.51 -3.38 -4.79 0.41 2.85 0.15 -5.04 115.26 102.96 1bal n ASN 24 Ca -0.15 -0.16 -0.27 0.00 -0.11 0.00 0.00 54.58 53.89 1bal n ASN 24 Cb 0.81 -2.01 -0.06 0.00 1.24 0.00 0.00 39.78 39.77 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 -2.98 3.79 -0.57 1.20 1.43 -1.24 -5.06 118.68 115.24 1bal s LEU 25 Ca 0.17 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1bal s LEU 25 Cb -0.08 -2.41 0.09 0.00 0.03 0.00 0.00 46.19 43.82 1bal s LEU 25 CO 0.22 0.09 0.68 -1.81 0.23 0.00 0.00 176.35 175.76 1bal s ASP 26 N -2.93 6.19 0.31 2.29 1.01 -1.26 -4.88 116.67 117.41 1bal s ASP 26 Ca 0.30 -1.32 0.10 0.00 0.71 0.00 0.00 52.55 52.34 1bal s ASP 26 Cb -0.11 -2.30 0.54 0.00 1.01 0.00 0.00 42.92 42.07 1bal s ASP 26 CO 0.23 -1.05 1.16 0.00 0.21 0.00 0.00 175.17 175.72 1bal n ALA 27 N 6.25 0.49 -0.09 5.23 0.00 -1.26 -1.19 120.51 129.94 1bal n ALA 27 Ca -0.09 0.09 0.26 0.00 0.00 0.00 0.00 53.44 53.71 1bal n ALA 27 Cb 0.43 -0.62 0.68 0.00 0.00 0.00 0.00 19.45 19.95 1bal n ALA 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bal h SER 28 N 0.00 0.00 0.12 0.00 0.87 -2.01 0.90 113.55 113.43 1bal h SER 28 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1bal h SER 28 Cb 0.78 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1bal h SER 28 CO 0.00 0.00 -2.06 0.00 -0.53 0.00 0.00 176.83 174.24 1bal n ALA 29 N -2.45 0.99 -1.77 6.23 0.00 -0.34 -4.91 120.51 118.27 1bal n ALA 29 Ca 0.16 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 1bal n ALA 29 Cb 0.99 -0.60 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.55 3.00 0.00 0.00 -1.09 0.31 -5.04 121.20 115.83 1bal s ILE 30 Ca -0.23 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1bal s ILE 30 Cb 0.07 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1bal s ILE 30 CO 0.75 0.03 0.00 2.29 -1.23 0.00 0.00 174.94 176.78 1bal n LYS 31 N -0.29 1.77 -3.74 2.79 0.00 -1.26 -4.92 118.16 112.51 1bal n LYS 31 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.24 1bal n LYS 31 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.41 1bal n LYS 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1bal s GLY 32 N -1.59 -0.23 -0.42 2.58 0.00 -1.26 -4.83 107.32 101.57 1bal s GLY 32 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.42 1bal s GLY 32 CO 0.00 0.45 0.49 -0.51 0.00 0.00 0.00 173.10 173.53 1bal s THR 33 N -0.79 -0.43 0.00 0.90 -4.23 -1.25 -4.88 115.64 104.96 1bal s THR 33 Ca -0.09 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1bal s THR 33 Cb -0.04 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1bal s THR 33 CO 0.03 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1bal n GLY 34 N 3.60 3.73 3.69 3.99 0.00 -1.24 -4.90 105.19 114.05 1bal n GLY 34 Ca 0.17 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N -2.18 4.02 -0.26 1.61 1.01 -1.26 -2.72 120.40 120.63 1bal s VAL 35 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1bal s VAL 35 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1bal s VAL 35 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1bal n GLY 36 N 3.50 0.33 4.00 4.51 0.00 -1.26 -3.67 105.19 112.59 1bal n GLY 36 Ca 0.12 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.35 -0.32 3.84 -0.02 0.00 -1.10 -4.94 105.19 101.30 1bal n GLY 37 Ca -0.03 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N -6.70 3.11 -0.44 1.61 6.06 -1.24 -4.90 118.95 116.45 1bal s ARG 38 Ca 0.08 -0.66 -0.28 0.00 -2.50 0.00 0.00 55.73 52.36 1bal s ARG 38 Cb -0.03 -2.82 0.03 0.00 0.06 0.00 0.00 34.95 32.18 1bal s ARG 38 CO 0.91 0.55 1.09 -1.17 -2.50 0.00 0.00 175.30 174.18 1bal s LEU 39 N -2.75 3.75 0.00 -0.88 2.96 -1.26 -3.73 118.68 116.77 1bal s LEU 39 Ca 0.32 0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 1bal s LEU 39 Cb -0.12 -3.49 0.08 0.00 0.50 0.00 0.00 46.19 43.17 1bal s LEU 39 CO 0.25 -1.14 0.49 0.35 -1.32 0.00 0.00 176.35 174.98 1bal n THR 40 N 6.57 0.00 0.26 3.68 -2.24 -1.26 -5.00 114.28 116.29 1bal n THR 40 Ca 0.11 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1bal n THR 40 Cb 0.49 -1.65 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.01 0.49 -0.00 -0.78 0.63 -1.26 -3.96 116.66 109.76 1bal n ARG 41 Ca 0.07 -0.06 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 1bal n ARG 41 Cb 0.23 -1.60 0.75 0.00 0.45 0.00 0.00 32.46 32.29 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 -2.20 1.06 -0.03 -0.14 1.02 -1.26 -3.20 120.64 115.90 1bal n GLU 42 Ca -0.01 -0.08 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 1bal n GLU 42 Cb 0.51 -1.41 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.82 0.57 -0.01 1.62 9.92 -1.25 -4.25 116.55 122.33 1bal n ASP 43 Ca 0.20 0.26 -0.21 0.00 -0.53 0.00 0.00 54.79 54.51 1bal n ASP 43 Cb 0.11 0.44 -0.13 0.00 -0.64 0.00 0.00 41.12 40.90 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 1.03 -1.38 2.53 2.07 -1.77 -3.33 116.25 115.40 1bal h VAL 44 Ca -0.30 -2.36 0.41 0.00 0.82 0.00 0.00 66.70 65.27 1bal h VAL 44 Cb 1.88 2.66 -0.08 0.00 -1.52 0.00 0.00 31.29 34.23 1bal h VAL 44 CO 0.05 0.65 0.97 -0.08 0.02 0.00 0.00 177.57 179.18 1bal h GLU 45 N -0.43 0.07 -0.97 1.57 4.22 -1.75 1.33 114.58 118.62 1bal h GLU 45 Ca -0.30 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1bal h GLU 45 Cb 1.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1bal h GLU 45 CO 0.02 0.04 0.00 1.17 -2.18 0.00 0.00 179.01 178.06 1bal n LYS 46 N -4.27 0.91 0.00 1.92 4.81 -1.25 -2.56 118.16 117.72 1bal n LYS 46 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1bal n LYS 46 Cb 1.42 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 35.16 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 0.22 0.00 -2.48 5.64 -0.00 0.46 -5.08 115.22 113.97 1bal n HIS 47 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1bal n HIS 47 Cb 0.31 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.19 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 -0.13 0.00 0.00 0.27 4.77 -1.06 -5.13 117.00 115.71 1bal n LEU 48 Ca 0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1bal n LEU 48 Cb 0.10 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1bal n LEU 48 CO 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 177.39 175.50 1bal n ALA 49 N -2.97 0.00 -2.60 -1.18 0.00 -1.26 -5.10 120.51 107.40 1bal n ALA 49 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1bal n ALA 49 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 1bal n ALA 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1bal s LYS 50 N 0.51 3.86 0.00 0.00 -2.85 -1.26 -5.22 119.74 114.79 1bal s LYS 50 Ca 0.00 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 1bal s LYS 50 Cb 0.00 -3.75 0.00 0.00 -2.06 0.00 0.00 37.83 32.02 1bal s LYS 50 CO 0.00 -0.68 0.00 0.00 0.10 0.00 0.00 175.35 174.77