#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 -0.26 -3.48 0.00 -1.26 -5.12 120.51 110.39 1bal n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1bal n ALA 2 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 -4.05 -1.88 0.00 7.64 -1.26 -4.86 113.62 109.21 1bal n SER 3 Ca 0.00 -0.82 -0.16 0.00 1.01 0.00 0.00 58.87 58.90 1bal n SER 3 Cb 0.00 -0.99 0.14 0.00 -1.01 0.00 0.00 64.21 62.35 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bal n LEU 4 N -5.40 5.67 -0.01 -3.43 4.32 -1.26 -3.84 117.00 113.04 1bal n LEU 4 Ca 0.13 -3.00 0.00 0.00 -0.02 0.00 0.00 56.01 53.12 1bal n LEU 4 Cb 0.58 -0.74 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1bal n LEU 4 CO 0.39 0.88 0.19 -0.62 -1.22 0.00 0.00 177.39 177.00 1bal n GLU 5 N -0.64 0.00 -3.16 3.23 1.02 -1.26 -5.02 120.64 114.82 1bal n GLU 5 Ca 0.42 -0.38 -0.45 0.00 -0.02 0.00 0.00 57.16 56.74 1bal n GLU 5 Cb 1.34 -0.37 -0.03 0.00 -0.02 0.00 0.00 31.44 32.36 1bal n GLU 5 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1bal s GLU 6 N 0.00 3.38 -0.26 3.49 0.41 -1.25 -5.02 118.70 119.46 1bal s GLU 6 Ca 0.00 -1.88 -0.15 0.00 -0.41 0.00 0.00 54.97 52.54 1bal s GLU 6 Cb 0.00 -4.49 -0.04 0.00 -1.78 0.00 0.00 34.13 27.82 1bal s GLU 6 CO 0.00 -1.50 0.36 -1.14 -0.49 0.00 0.00 175.26 172.49 1bal s GLN 7 N 1.69 4.04 0.00 1.61 0.74 -1.26 -4.82 119.66 121.67 1bal s GLN 7 Ca 0.19 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.63 1bal s GLN 7 Cb -0.15 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.33 1bal s GLN 7 CO -0.03 -0.22 0.40 -1.71 -0.55 0.00 0.00 175.29 173.18 1bal n ASN 8 N 5.12 0.00 0.00 6.67 4.05 -1.26 -5.02 115.26 124.82 1bal n ASN 8 Ca -0.09 0.40 0.00 0.00 0.45 0.00 0.00 54.58 55.34 1bal n ASN 8 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bal n ASN 9 N -0.42 0.00 0.00 1.20 2.85 -1.26 -5.13 115.26 112.50 1bal n ASN 9 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1bal n ASN 9 Cb 0.00 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1bal n ASP 10 N -1.45 0.14 0.00 1.20 8.00 -1.26 -5.10 116.55 118.09 1bal n ASP 10 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bal n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -3.00 -0.08 -1.00 2.24 0.00 -1.26 -4.84 120.51 112.57 1bal n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.91 0.00 -4.16 0.00 4.77 -1.26 -5.06 117.00 110.38 1bal n LEU 12 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1bal n LEU 12 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1bal n LEU 12 CO 0.00 -0.40 -0.32 -0.55 -1.33 0.00 0.00 177.39 174.79 1bal s SER 13 N -2.08 0.59 0.45 -1.43 0.15 -1.26 -4.96 113.70 105.17 1bal s SER 13 Ca 0.00 -1.15 0.16 0.00 0.70 0.00 0.00 55.95 55.66 1bal s SER 13 Cb 0.00 0.23 1.11 0.00 -1.71 0.00 0.00 66.02 65.64 1bal s SER 13 CO 0.00 -0.65 1.99 -0.65 1.20 0.00 0.00 173.24 175.13 1bal h PRO 14 N 2.89 0.31 0.00 5.44 0.10 -1.99 0.33 132.00 139.08 1bal h PRO 14 Ca -0.35 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.73 1bal h PRO 14 Cb 1.19 -0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.22 1bal h PRO 14 CO 0.62 0.20 0.27 0.00 0.10 0.00 0.00 178.00 179.19 1bal n ALA 15 N -2.54 0.66 0.13 -0.75 0.00 -1.26 -0.12 120.51 116.63 1bal n ALA 15 Ca 0.09 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1bal n ALA 15 Cb 0.40 -0.84 0.42 0.00 0.00 0.00 0.00 19.45 19.43 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 1.16 0.22 0.00 2.10 -1.34 -0.85 117.51 118.81 1bal h ILE 16 Ca 0.00 -0.71 -0.01 0.00 1.08 0.00 0.00 64.86 65.22 1bal h ILE 16 Cb 0.55 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 1bal h ILE 16 CO 0.00 0.22 -0.11 0.03 -1.08 0.00 0.00 178.15 177.21 1bal h ARG 17 N 0.20 -0.29 -0.10 2.19 2.47 -0.74 -3.17 114.38 114.94 1bal h ARG 17 Ca 0.04 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1bal h ARG 17 Cb 0.33 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1bal h ARG 17 CO 0.02 -0.00 0.19 0.00 0.56 0.00 0.00 179.97 180.73 1bal h ARG 18 N -1.00 0.00 0.00 0.04 3.08 -1.64 -0.52 114.38 114.35 1bal h ARG 18 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1bal h ARG 18 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1bal h ARG 18 CO 0.05 0.00 0.09 -0.11 -1.07 0.00 0.00 179.97 178.93 1bal n LEU 19 N -3.42 0.00 -0.05 3.04 7.94 -0.33 0.14 117.00 124.33 1bal n LEU 19 Ca -0.00 0.29 -0.10 0.00 -1.11 0.00 0.00 56.01 55.10 1bal n LEU 19 Cb 0.28 -0.29 -0.15 0.00 0.53 0.00 0.00 43.42 43.79 1bal n LEU 19 CO 0.22 -0.29 -0.73 0.18 -1.11 0.00 0.00 177.39 175.66 1bal n LEU 20 N -1.27 0.71 0.07 -1.96 4.77 -0.20 -4.20 117.00 114.92 1bal n LEU 20 Ca 0.00 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1bal n LEU 20 Cb 0.09 0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1bal n LEU 20 CO 0.00 0.44 -0.21 0.00 -1.33 0.00 0.00 177.39 176.30 1bal n ALA 21 N -2.64 2.66 0.94 -1.18 0.00 0.12 -1.68 120.51 118.73 1bal n ALA 21 Ca -0.23 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 52.97 1bal n ALA 21 Cb 1.08 -1.00 0.48 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.51 0.38 -0.34 0.00 2.13 -0.05 -2.43 120.64 117.81 1bal n GLU 22 Ca -0.01 0.07 0.02 0.00 0.66 0.00 0.00 57.16 57.90 1bal n GLU 22 Cb 0.55 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.79 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bal n HIS 23 N -1.16 0.00 -3.80 4.31 8.25 -1.25 -5.02 115.22 116.54 1bal n HIS 23 Ca 0.10 -0.23 -0.36 0.00 -0.26 0.00 0.00 57.72 56.97 1bal n HIS 23 Cb 0.10 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.33 -4.94 -3.45 0.41 3.02 -1.02 -4.95 115.26 104.00 1bal n ASN 24 Ca 0.03 -1.10 -0.27 0.00 -0.03 0.00 0.00 54.58 53.21 1bal n ASN 24 Cb 0.65 -2.87 -0.11 0.00 -0.61 0.00 0.00 39.78 36.84 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bal s LEU 25 N -6.77 0.81 0.23 3.41 1.43 -0.68 -5.05 118.68 112.06 1bal s LEU 25 Ca 0.48 -2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 51.19 1bal s LEU 25 Cb -0.20 -0.26 -0.10 0.00 0.03 0.00 0.00 46.19 45.66 1bal s LEU 25 CO 0.89 -0.30 1.46 -1.81 0.23 0.00 0.00 176.35 176.82 1bal s ASP 26 N 1.14 6.64 0.32 2.29 1.01 -1.26 -4.65 116.67 122.17 1bal s ASP 26 Ca 0.18 2.65 0.20 0.00 0.71 0.00 0.00 52.55 56.29 1bal s ASP 26 Cb -0.22 -2.62 1.09 0.00 1.01 0.00 0.00 42.92 42.18 1bal s ASP 26 CO -0.00 -0.72 1.59 0.00 0.21 0.00 0.00 175.17 176.25 1bal n ALA 27 N 2.66 0.96 0.03 5.23 0.00 -1.26 -1.90 120.51 126.22 1bal n ALA 27 Ca 0.08 0.19 0.22 0.00 0.00 0.00 0.00 53.44 53.93 1bal n ALA 27 Cb 0.40 -1.21 0.66 0.00 0.00 0.00 0.00 19.45 19.30 1bal n ALA 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bal h SER 28 N 0.00 0.00 0.61 0.00 4.64 -2.01 1.09 113.55 117.89 1bal h SER 28 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1bal h SER 28 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1bal h SER 28 CO 0.00 0.00 -1.40 0.00 -0.87 0.00 0.00 176.83 174.56 1bal n ALA 29 N -2.27 2.57 -2.75 5.18 0.00 -0.80 -4.92 120.51 117.52 1bal n ALA 29 Ca 0.11 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.93 1bal n ALA 29 Cb 0.84 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.38 5.16 0.58 0.00 -1.09 0.38 -5.11 121.20 117.74 1bal s ILE 30 Ca -0.03 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 57.98 1bal s ILE 30 Cb 0.11 -3.81 0.08 0.00 -1.58 0.00 0.00 42.46 37.26 1bal s ILE 30 CO 0.83 -0.36 0.68 -0.75 -1.23 0.00 0.00 174.94 174.12 1bal s LYS 31 N -3.84 2.25 0.19 2.79 2.20 -1.26 -4.91 119.74 117.17 1bal s LYS 31 Ca 0.39 -1.80 -0.10 0.00 -0.36 0.00 0.00 55.97 54.09 1bal s LYS 31 Cb -0.10 -2.46 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1bal s LYS 31 CO 0.32 -0.83 0.35 0.20 -0.36 0.00 0.00 175.35 175.02 1bal s GLY 32 N -4.57 0.52 0.07 5.54 0.00 -1.26 -4.83 107.32 102.79 1bal s GLY 32 Ca 0.53 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1bal s GLY 32 CO 0.33 -0.77 0.00 -1.30 0.00 0.00 0.00 173.10 171.36 1bal n THR 33 N -0.28 0.00 -1.44 0.90 -2.24 -1.17 -4.87 114.28 105.18 1bal n THR 33 Ca -0.05 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1bal n THR 33 Cb 0.63 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.90 -0.42 0.18 3.38 0.00 -0.64 0.15 105.19 108.74 1bal n GLY 34 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.13 0.98 -0.14 1.61 2.07 -2.00 -3.33 116.25 115.31 1bal h VAL 35 Ca 0.00 -1.65 -0.19 0.00 0.82 0.00 0.00 66.70 65.67 1bal h VAL 35 Cb 0.12 1.99 -0.35 0.00 -1.52 0.00 0.00 31.29 31.53 1bal h VAL 35 CO 0.00 0.42 -0.95 0.61 0.02 0.00 0.00 177.57 177.67 1bal n GLY 36 N 0.27 1.27 0.49 2.17 0.00 -1.24 -4.95 105.19 103.21 1bal n GLY 36 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.03 1.21 3.85 -0.02 0.00 0.39 -5.06 105.19 105.51 1bal n GLY 37 Ca 0.02 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.62 3.72 0.39 1.61 3.52 -0.87 -4.67 118.95 121.03 1bal s ARG 38 Ca 0.00 0.13 -0.25 0.00 -0.13 0.00 0.00 55.73 55.47 1bal s ARG 38 Cb 0.00 -3.22 -0.09 0.00 -1.56 0.00 0.00 34.95 30.08 1bal s ARG 38 CO 0.00 0.69 1.11 -1.17 -0.81 0.00 0.00 175.30 175.13 1bal s LEU 39 N -0.92 4.22 0.00 -0.88 2.96 -1.26 -1.62 118.68 121.18 1bal s LEU 39 Ca 0.19 2.22 0.05 0.00 -0.22 0.00 0.00 54.13 56.37 1bal s LEU 39 Cb -0.14 -4.04 -0.02 0.00 0.50 0.00 0.00 46.19 42.49 1bal s LEU 39 CO 0.08 -0.54 0.18 0.35 -1.32 0.00 0.00 176.35 175.10 1bal n THR 40 N 0.15 0.00 0.61 3.68 -2.24 -1.26 -4.92 114.28 110.31 1bal n THR 40 Ca 0.04 -2.18 0.12 0.00 -2.27 0.00 0.00 64.05 59.77 1bal n THR 40 Cb 0.47 0.90 0.27 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.73 0.27 -0.06 -0.78 0.63 -1.26 -3.29 116.66 111.43 1bal n ARG 41 Ca -0.00 0.13 0.02 0.00 -0.92 0.00 0.00 57.85 57.08 1bal n ARG 41 Cb 0.55 -1.72 0.05 0.00 0.45 0.00 0.00 32.46 31.79 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 -2.14 1.29 0.00 -0.14 4.71 -1.26 -2.04 120.64 121.06 1bal n GLU 42 Ca 0.04 -0.41 0.00 0.00 -0.01 0.00 0.00 57.16 56.78 1bal n GLU 42 Cb 0.43 -1.14 0.00 0.00 -1.01 0.00 0.00 31.44 29.72 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bal n ASP 43 N -0.14 2.47 0.04 1.62 9.92 -1.22 -4.69 116.55 124.55 1bal n ASP 43 Ca 0.04 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.41 1bal n ASP 43 Cb 0.12 0.25 -0.09 0.00 -0.64 0.00 0.00 41.12 40.76 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 -1.23 0.30 -0.05 2.53 0.31 -1.21 -4.34 118.33 114.64 1bal n VAL 44 Ca 0.00 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.68 1bal n VAL 44 Cb 0.24 -0.16 -0.11 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.02 -1.00 5.55 4.81 -1.69 -3.19 114.58 119.03 1bal h GLU 45 Ca -0.00 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.52 1bal h GLU 45 Cb 1.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1bal h GLU 45 CO 0.00 0.73 0.96 0.87 -0.73 0.00 0.00 179.01 180.85 1bal h LYS 46 N -0.90 0.00 0.05 1.92 1.57 -1.76 0.27 116.57 117.71 1bal h LYS 46 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bal h LYS 46 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1bal h LYS 46 CO 0.00 0.00 -0.02 1.25 -0.57 0.00 0.00 179.45 180.11 1bal h HIS 47 N 0.00 -0.06 0.00 -1.35 2.76 -1.75 -3.26 115.15 111.49 1bal h HIS 47 Ca 0.48 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.58 1bal h HIS 47 Cb 2.40 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 31.36 1bal h HIS 47 CO 0.00 0.56 -0.11 1.28 -1.30 0.00 0.00 177.93 178.35 1bal n LEU 48 N -4.78 4.84 0.00 0.26 4.77 0.93 -4.86 117.00 118.16 1bal n LEU 48 Ca -0.08 -2.47 -0.15 0.00 -0.03 0.00 0.00 56.01 53.28 1bal n LEU 48 Cb 0.32 -1.13 0.09 0.00 -2.33 0.00 0.00 43.42 40.37 1bal n LEU 48 CO 0.29 1.14 0.41 0.00 -1.33 0.00 0.00 177.39 177.89 1bal n ALA 49 N 1.91 -0.39 -1.81 -1.18 0.00 -1.16 -5.02 120.51 112.86 1bal n ALA 49 Ca 0.14 -1.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1bal n ALA 49 Cb 0.60 0.06 0.21 0.00 0.00 0.00 0.00 19.45 20.32 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 -4.29 0.17 0.00 0.00 0.00 -1.26 -5.14 119.74 109.22 1bal s LYS 50 Ca 0.40 -0.44 0.00 0.00 0.00 0.00 0.00 55.97 55.93 1bal s LYS 50 Cb -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 37.83 36.02 1bal s LYS 50 CO 0.27 -2.73 0.13 0.00 0.00 0.00 0.00 175.35 173.03