#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 -4.16 -3.56 -0.72 0.00 -1.26 -5.01 120.51 105.81 1bal n ALA 2 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 53.44 52.53 1bal n ALA 2 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.51 -0.67 0.00 0.00 0.01 -1.26 -5.00 113.70 105.28 1bal s SER 3 Ca 0.48 0.91 0.10 0.00 1.31 0.00 0.00 55.95 58.75 1bal s SER 3 Cb -0.17 0.79 0.59 0.00 0.21 0.00 0.00 66.02 67.45 1bal s SER 3 CO 0.74 -0.49 1.11 0.00 0.41 0.00 0.00 173.24 175.02 1bal n LEU 4 N 1.43 0.00 -0.02 2.44 -0.00 -1.26 -2.75 117.00 116.84 1bal n LEU 4 Ca -0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.66 1bal n LEU 4 Cb 0.56 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.85 1bal n LEU 4 CO 0.17 0.00 -0.85 1.21 -0.00 0.00 0.00 177.39 177.93 1bal n GLU 5 N -0.74 0.72 -1.71 1.47 2.13 -1.26 -4.85 120.64 116.39 1bal n GLU 5 Ca 0.07 0.24 -0.42 0.00 0.66 0.00 0.00 57.16 57.71 1bal n GLU 5 Cb 0.03 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.02 1bal n GLU 5 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1bal s GLU 6 N -2.56 3.97 0.68 5.31 2.02 -1.11 -4.97 118.70 122.04 1bal s GLU 6 Ca -0.20 2.44 -0.06 0.00 0.02 0.00 0.00 54.97 57.16 1bal s GLU 6 Cb 0.07 -4.17 0.05 0.00 0.10 0.00 0.00 34.13 30.17 1bal s GLU 6 CO 0.76 -1.14 0.99 -0.65 0.02 0.00 0.00 175.26 175.23 1bal s GLN 7 N 4.73 2.38 0.75 1.61 1.11 -1.26 -4.97 119.66 124.00 1bal s GLN 7 Ca 0.88 -0.20 -0.11 0.00 0.01 0.00 0.00 55.36 55.94 1bal s GLN 7 Cb -0.39 -2.20 0.04 0.00 -1.01 0.00 0.00 33.01 29.45 1bal s GLN 7 CO 0.39 -1.10 1.13 -0.80 0.01 0.00 0.00 175.29 174.91 1bal s ASN 8 N -4.46 5.02 0.15 5.90 -0.87 -1.26 -4.98 114.94 114.44 1bal s ASN 8 Ca 0.59 0.95 0.23 0.00 -1.57 0.00 0.00 52.86 53.05 1bal s ASN 8 Cb -0.11 -1.61 0.09 0.00 -0.02 0.00 0.00 41.25 39.60 1bal s ASN 8 CO 0.45 -1.59 1.10 -0.46 -2.57 0.00 0.00 177.10 174.02 1bal n ASN 9 N -3.13 0.76 -1.53 -1.22 0.23 -1.26 -3.83 115.26 105.28 1bal n ASN 9 Ca 0.07 0.19 0.06 0.00 -0.53 0.00 0.00 54.58 54.38 1bal n ASN 9 Cb 0.59 0.46 0.34 0.00 -2.08 0.00 0.00 39.78 39.09 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1bal n ASP 10 N -2.42 4.93 -4.96 0.53 8.00 -1.26 -4.97 116.55 116.39 1bal n ASP 10 Ca 0.01 -3.02 -0.22 0.00 0.71 0.00 0.00 54.79 52.27 1bal n ASP 10 Cb 0.51 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.83 3.93 0.80 2.24 0.00 -1.25 -5.11 121.76 119.53 1bal s ALA 11 Ca 0.50 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 1bal s ALA 11 Cb 0.39 -1.75 0.13 0.00 0.00 0.00 0.00 23.12 21.89 1bal s ALA 11 CO 0.13 0.28 1.11 -0.51 0.00 0.00 0.00 175.76 176.77 1bal s LEU 12 N -3.86 2.85 -0.13 0.00 1.43 -1.26 -5.00 118.68 112.71 1bal s LEU 12 Ca 0.34 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.37 1bal s LEU 12 Cb -0.09 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 1bal s LEU 12 CO 0.29 -2.08 0.29 -0.55 0.23 0.00 0.00 176.35 174.53 1bal s SER 13 N -4.73 6.48 0.55 2.29 0.15 -1.26 -4.96 113.70 112.22 1bal s SER 13 Ca 0.67 0.57 0.25 0.00 0.70 0.00 0.00 55.95 58.14 1bal s SER 13 Cb -0.06 -2.18 1.59 0.00 -1.71 0.00 0.00 66.02 63.66 1bal s SER 13 CO 0.47 0.17 2.18 1.55 1.20 0.00 0.00 173.24 178.82 1bal h PRO 14 N 6.16 0.00 -0.74 5.44 0.13 -2.05 -0.86 132.00 140.08 1bal h PRO 14 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1bal h PRO 14 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bal h PRO 14 CO 0.71 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 1bal n ALA 15 N -2.37 2.63 0.09 -0.56 0.00 -1.26 -3.41 120.51 115.62 1bal n ALA 15 Ca -0.03 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.30 1bal n ALA 15 Cb 0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N 0.01 0.53 0.09 0.00 3.06 -0.33 -3.58 119.36 119.14 1bal n ILE 16 Ca 0.03 -0.54 -0.01 0.00 -2.50 0.00 0.00 62.75 59.73 1bal n ILE 16 Cb 0.30 -0.29 -0.04 0.00 0.54 0.00 0.00 39.64 40.15 1bal n ILE 16 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1bal h ARG 17 N 0.00 0.00 -0.24 9.51 3.08 -1.76 -3.22 114.38 121.75 1bal h ARG 17 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bal h ARG 17 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1bal h ARG 17 CO 0.00 0.58 0.00 0.54 -1.07 0.00 0.00 179.97 180.02 1bal n ARG 18 N -3.17 2.02 -0.07 0.04 5.12 -1.25 -4.23 116.66 115.10 1bal n ARG 18 Ca -0.02 -1.53 -0.13 0.00 -1.93 0.00 0.00 57.85 54.24 1bal n ARG 18 Cb 0.83 -1.43 -0.10 0.00 -1.16 0.00 0.00 32.46 30.59 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1bal h LEU 19 N 3.05 0.00 -0.28 0.55 5.85 -1.61 -3.22 115.31 119.65 1bal h LEU 19 Ca 0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1bal h LEU 19 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1bal h LEU 19 CO 0.00 1.01 0.01 0.18 -0.34 0.00 0.00 178.44 179.29 1bal n LEU 20 N -4.60 0.11 0.06 2.25 4.77 -1.26 -0.17 117.00 118.16 1bal n LEU 20 Ca -0.13 0.55 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1bal n LEU 20 Cb 0.43 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1bal n LEU 20 CO 0.24 -0.58 -0.00 0.00 -1.33 0.00 0.00 177.39 175.71 1bal n ALA 21 N -1.55 2.96 0.03 -1.18 0.00 -1.23 -1.69 120.51 117.84 1bal n ALA 21 Ca -0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 1bal n ALA 21 Cb 0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 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 0.23 0.00 0.00 4.81 -0.57 -3.36 114.58 115.68 1bal h GLU 22 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1bal h GLU 22 Cb 0.85 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1bal h GLU 22 CO 0.00 1.07 -1.53 0.72 -0.73 0.00 0.00 179.01 178.53 1bal n HIS 23 N -3.41 0.05 -3.25 0.92 8.25 -1.07 -5.02 115.22 111.68 1bal n HIS 23 Ca -0.24 0.01 -0.07 0.00 -0.26 0.00 0.00 57.72 57.17 1bal n HIS 23 Cb 1.05 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.83 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 -1.97 -7.02 -3.64 0.41 2.85 -0.68 -5.01 115.26 100.19 1bal n ASN 24 Ca -0.01 -0.31 -0.20 0.00 -0.11 0.00 0.00 54.58 53.95 1bal n ASN 24 Cb 0.47 -4.37 -0.17 0.00 1.24 0.00 0.00 39.78 36.96 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 -4.28 0.09 -0.20 1.20 1.43 -1.22 -5.07 118.68 110.63 1bal s LEU 25 Ca 0.01 -0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 1bal s LEU 25 Cb -0.00 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.17 1bal s LEU 25 CO 0.79 -0.27 2.21 -0.67 0.23 0.00 0.00 176.35 178.64 1bal n ASP 26 N 5.31 3.31 0.00 2.29 -0.08 -1.26 -4.80 116.55 121.32 1bal n ASP 26 Ca -0.04 0.23 0.17 0.00 -1.51 0.00 0.00 54.79 53.64 1bal n ASP 26 Cb 0.50 -1.56 0.64 0.00 2.34 0.00 0.00 41.12 43.04 1bal n ASP 26 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bal h ALA 27 N 14.88 2.34 -0.04 -1.67 0.00 -1.97 0.87 119.26 133.67 1bal h ALA 27 Ca -0.42 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1bal h ALA 27 Cb 1.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bal h ALA 27 CO 0.96 -0.48 0.35 0.77 0.00 0.00 0.00 179.25 180.85 1bal h SER 28 N 0.10 0.00 0.63 0.00 0.02 -1.99 0.53 113.55 112.84 1bal h SER 28 Ca 0.24 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 1bal h SER 28 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1bal h SER 28 CO -0.02 0.00 -1.46 0.00 -1.14 0.00 0.00 176.83 174.21 1bal n ALA 29 N -1.93 2.20 -2.29 3.77 0.00 0.30 -4.88 120.51 117.68 1bal n ALA 29 Ca -0.01 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.53 1bal n ALA 29 Cb 0.41 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.11 4.73 1.17 0.00 -1.09 0.19 -5.06 121.20 118.03 1bal s ILE 30 Ca -0.04 1.31 -0.16 0.00 -2.23 0.00 0.00 60.65 59.53 1bal s ILE 30 Cb 0.09 -3.95 0.27 0.00 -1.58 0.00 0.00 42.46 37.30 1bal s ILE 30 CO 0.82 0.51 1.05 -0.54 -1.23 0.00 0.00 174.94 175.55 1bal s LYS 31 N -0.86 -0.92 -0.41 2.79 1.02 -1.26 -4.94 119.74 115.16 1bal s LYS 31 Ca 0.31 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.73 1bal s LYS 31 Cb -0.20 -1.59 0.17 0.00 -0.52 0.00 0.00 37.83 35.69 1bal s LYS 31 CO 0.20 -3.61 0.42 0.20 -0.92 0.00 0.00 175.35 171.63 1bal s GLY 32 N -3.24 0.21 -0.21 -3.33 0.00 -1.26 -4.79 107.32 94.70 1bal s GLY 32 Ca 0.68 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 44.06 1bal s GLY 32 CO 0.59 2.66 1.47 -1.30 0.00 0.00 0.00 173.10 176.52 1bal n THR 33 N 3.55 2.14 -0.05 0.90 -2.24 -1.26 -3.03 114.28 114.29 1bal n THR 33 Ca 0.18 -1.10 -0.06 0.00 -2.27 0.00 0.00 64.05 60.80 1bal n THR 33 Cb 0.47 -0.43 0.06 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.10 -3.62 3.61 3.38 0.00 -0.40 -4.51 105.19 103.75 1bal n GLY 34 Ca 0.27 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.19 3.15 0.00 1.61 1.01 -1.26 -0.44 120.40 123.28 1bal s VAL 35 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1bal s VAL 35 Cb -0.02 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1bal s VAL 35 CO 0.11 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1bal n GLY 36 N 5.45 0.67 1.47 4.51 0.00 -1.26 -3.95 105.19 112.09 1bal n GLY 36 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.03 0.71 3.90 -0.02 0.00 0.41 -5.06 105.19 103.10 1bal n GLY 37 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.60 3.28 0.41 1.61 0.52 -1.17 -4.62 118.95 116.38 1bal s ARG 38 Ca 0.00 -0.69 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 1bal s ARG 38 Cb 0.00 -2.87 -0.08 0.00 0.52 0.00 0.00 34.95 32.52 1bal s ARG 38 CO 0.00 0.51 1.19 -1.17 0.02 0.00 0.00 175.30 175.85 1bal s LEU 39 N -3.23 4.18 0.26 2.53 2.96 -1.26 -1.27 118.68 122.85 1bal s LEU 39 Ca 0.33 2.39 -0.01 0.00 -0.22 0.00 0.00 54.13 56.62 1bal s LEU 39 Cb -0.11 -4.02 -0.03 0.00 0.50 0.00 0.00 46.19 42.54 1bal s LEU 39 CO 0.27 -0.72 0.27 0.42 -1.32 0.00 0.00 176.35 175.26 1bal s THR 40 N -1.40 0.00 -1.57 3.68 -4.23 -1.26 -4.91 115.64 105.96 1bal s THR 40 Ca 0.58 -1.85 0.18 0.00 -1.18 0.00 0.00 61.69 59.42 1bal s THR 40 Cb -0.32 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.42 1bal s THR 40 CO 0.40 0.00 1.53 -1.14 -0.54 0.00 0.00 174.62 174.87 1bal n ARG 41 N -0.40 0.33 0.00 3.99 0.63 -1.26 -1.96 116.66 118.00 1bal n ARG 41 Ca 0.02 0.09 0.11 0.00 -0.92 0.00 0.00 57.85 57.15 1bal n ARG 41 Cb 0.64 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 32.08 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 -1.22 0.07 -0.09 -0.14 1.02 -1.26 -3.91 120.64 115.11 1bal n GLU 42 Ca 0.10 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1bal n GLU 42 Cb 0.12 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.60 1.85 -0.36 1.62 8.00 -0.83 -3.62 116.55 121.61 1bal n ASP 43 Ca 0.04 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.15 1bal n ASP 43 Cb 0.36 -0.90 0.28 0.00 -0.02 0.00 0.00 41.12 40.84 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bal h VAL 44 N -1.00 0.82 -0.58 2.53 2.07 -1.77 0.89 116.25 119.21 1bal h VAL 44 Ca -0.19 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1bal h VAL 44 Cb 0.94 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1bal h VAL 44 CO -0.12 0.16 0.22 -0.33 0.02 0.00 0.00 177.57 177.52 1bal h GLU 45 N 0.88 0.86 0.00 1.57 4.39 -1.75 -0.76 114.58 119.77 1bal h GLU 45 Ca 0.54 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1bal h GLU 45 Cb 0.69 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1bal h GLU 45 CO -0.32 0.71 0.00 1.17 -1.16 0.00 0.00 179.01 179.41 1bal n LYS 46 N -4.31 0.14 -0.02 2.33 3.00 0.30 -1.89 118.16 117.71 1bal n LYS 46 Ca 0.05 0.62 -0.21 0.00 -0.00 0.00 0.00 58.31 58.76 1bal n LYS 46 Cb 0.18 -1.94 -0.13 0.00 0.00 0.00 0.00 35.03 33.13 1bal n LYS 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1bal h HIS 47 N 0.00 0.34 0.00 5.64 2.76 -1.04 -3.34 115.15 119.51 1bal h HIS 47 Ca 0.00 -0.25 -0.03 0.00 -2.20 0.00 0.00 60.37 57.89 1bal h HIS 47 Cb 0.03 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1bal h HIS 47 CO 0.00 1.51 -0.14 -0.07 -1.30 0.00 0.00 177.93 177.93 1bal h LEU 48 N -0.45 0.00 0.00 0.26 3.38 -1.28 -3.37 115.31 113.84 1bal h LEU 48 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1bal h LEU 48 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1bal h LEU 48 CO 0.01 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1bal n ALA 49 N -2.39 0.00 -1.00 1.53 0.00 -0.89 -4.89 120.51 112.87 1bal n ALA 49 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1bal n ALA 49 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1bal n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bal n LYS 50 N 0.00 0.00 0.00 0.00 5.02 -1.26 -5.09 118.16 116.83 1bal n LYS 50 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1bal n LYS 50 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88