#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 -1.48 -0.72 0.00 -1.26 -5.15 120.51 111.91 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 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N -1.69 0.00 -4.53 0.00 7.64 -1.26 -4.90 113.62 108.88 1bal n SER 3 Ca 0.00 0.00 -0.56 0.00 1.01 0.00 0.00 58.87 59.32 1bal n SER 3 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1bal n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1bal n LEU 4 N 0.00 0.52 -4.49 -3.43 7.94 -1.26 -4.54 117.00 111.74 1bal n LEU 4 Ca 0.00 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 1bal n LEU 4 Cb 0.00 -1.02 -0.13 0.00 0.53 0.00 0.00 43.42 42.80 1bal n LEU 4 CO 0.00 -1.66 2.16 -1.84 -1.11 0.00 0.00 177.39 174.94 1bal n GLU 5 N 1.80 0.16 -3.72 1.96 0.28 -1.26 -4.85 120.64 115.01 1bal n GLU 5 Ca 0.19 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 57.08 1bal n GLU 5 Cb 0.13 -1.77 -0.12 0.00 1.43 0.00 0.00 31.44 31.11 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1bal s GLU 6 N 8.66 0.28 0.00 3.44 2.56 -1.26 -5.16 118.70 127.21 1bal s GLU 6 Ca 1.30 0.60 0.00 0.00 0.00 0.00 0.00 54.97 56.86 1bal s GLU 6 Cb -1.13 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 34.94 1bal s GLU 6 CO 0.47 -0.15 0.00 1.04 -0.56 0.00 0.00 175.26 176.06 1bal n GLN 7 N 4.11 0.68 -3.72 4.30 6.02 -1.26 -4.81 117.38 122.69 1bal n GLN 7 Ca -0.23 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.48 1bal n GLN 7 Cb 0.54 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.69 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bal n ASN 8 N -1.89 2.26 -4.56 1.08 3.02 -1.26 -5.06 115.26 108.84 1bal n ASN 8 Ca 0.00 -3.04 -0.40 0.00 -0.03 0.00 0.00 54.58 51.11 1bal n ASN 8 Cb 0.00 -0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 38.38 1bal n ASN 8 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1bal s ASN 9 N -1.23 6.24 0.00 6.41 2.47 -1.26 -4.84 114.94 122.73 1bal s ASN 9 Ca 0.28 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.52 1bal s ASN 9 Cb 0.00 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.58 1bal s ASN 9 CO -0.16 -0.34 0.10 0.47 -3.72 0.00 0.00 177.10 173.45 1bal n ASP 10 N 5.47 0.18 -1.45 -4.21 9.92 -1.26 -5.07 116.55 120.12 1bal n ASP 10 Ca -0.08 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1bal n ASP 10 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bal n ALA 11 N -0.00 0.00 -1.13 2.24 0.00 -1.26 -4.97 120.51 115.38 1bal n ALA 11 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1bal n ALA 11 Cb 0.21 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 -1.66 -4.96 0.00 4.77 -1.26 -4.97 117.00 108.92 1bal n LEU 12 Ca 0.00 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 1bal n LEU 12 Cb 0.00 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1bal n LEU 12 CO 0.00 -4.14 0.18 -0.94 -1.33 0.00 0.00 177.39 171.16 1bal s SER 13 N -1.37 5.96 0.56 -1.43 1.04 -1.26 -4.97 113.70 112.23 1bal s SER 13 Ca 0.57 0.15 0.24 0.00 0.48 0.00 0.00 55.95 57.38 1bal s SER 13 Cb -0.32 -1.52 1.52 0.00 0.10 0.00 0.00 66.02 65.80 1bal s SER 13 CO 0.66 -0.53 2.14 1.55 0.98 0.00 0.00 173.24 178.04 1bal h PRO 14 N 0.64 0.00 0.00 4.02 0.13 -2.03 0.50 132.00 135.26 1bal h PRO 14 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bal h PRO 14 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bal h PRO 14 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1bal n ALA 15 N -2.45 1.39 -0.35 -0.56 0.00 -1.26 -2.80 120.51 114.48 1bal n ALA 15 Ca 0.00 0.07 0.37 0.00 0.00 0.00 0.00 53.44 53.88 1bal n ALA 15 Cb 0.23 -1.27 0.73 0.00 0.00 0.00 0.00 19.45 19.15 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 0.27 0.00 0.00 2.10 -1.27 0.69 117.51 119.30 1bal h ILE 16 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.89 1bal h ILE 16 Cb 0.18 0.30 -0.01 0.00 -1.09 0.00 0.00 36.82 36.21 1bal h ILE 16 CO 0.00 0.00 -0.27 0.03 -1.08 0.00 0.00 178.15 176.83 1bal h ARG 17 N 0.00 0.00 0.00 2.19 2.47 -1.77 -3.28 114.38 114.00 1bal h ARG 17 Ca 0.60 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1bal h ARG 17 Cb 2.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.87 1bal h ARG 17 CO -0.01 1.00 0.00 0.00 0.56 0.00 0.00 179.97 181.52 1bal h ARG 18 N -1.00 0.00 0.00 0.04 2.47 -0.90 -2.11 114.38 112.88 1bal h ARG 18 Ca -0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1bal h ARG 18 Cb 1.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1bal h ARG 18 CO -0.04 0.00 -0.00 1.25 0.56 0.00 0.00 179.97 181.73 1bal h LEU 19 N 0.00 0.00 0.00 3.04 5.85 0.18 0.81 115.31 125.19 1bal h LEU 19 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1bal h LEU 19 Cb 0.22 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1bal h LEU 19 CO 0.00 0.00 -1.64 0.18 -0.34 0.00 0.00 178.44 176.64 1bal n LEU 20 N -3.23 0.68 0.02 2.25 4.77 -0.79 -3.79 117.00 116.91 1bal n LEU 20 Ca -0.03 0.30 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1bal n LEU 20 Cb 0.08 0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1bal n LEU 20 CO 0.22 0.22 -0.03 0.00 -1.33 0.00 0.00 177.39 176.47 1bal n ALA 21 N -2.46 3.48 0.07 -1.18 0.00 -0.34 -1.79 120.51 118.29 1bal n ALA 21 Ca -0.14 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 1bal n ALA 21 Cb 0.90 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 19.26 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 0.41 -0.12 0.00 4.81 0.43 -3.29 114.58 116.83 1bal h GLU 22 Ca 0.00 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1bal h GLU 22 Cb 0.72 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1bal h GLU 22 CO 0.00 1.28 0.00 0.72 -0.73 0.00 0.00 179.01 180.28 1bal n HIS 23 N -4.02 0.13 -2.73 0.92 8.25 -1.25 -5.02 115.22 111.50 1bal n HIS 23 Ca -0.14 -0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1bal n HIS 23 Cb 0.88 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.97 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 0.99 -6.28 -3.79 0.41 3.02 -1.14 -5.03 115.26 103.44 1bal n ASN 24 Ca 0.17 1.35 -0.20 0.00 -0.03 0.00 0.00 54.58 55.87 1bal n ASN 24 Cb 0.51 -5.03 -0.17 0.00 -0.61 0.00 0.00 39.78 34.48 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 -1.36 0.86 -1.03 3.41 1.43 -0.74 -5.03 118.68 116.23 1bal s LEU 25 Ca -0.06 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 1bal s LEU 25 Cb 0.00 -0.31 0.09 0.00 0.03 0.00 0.00 46.19 46.01 1bal s LEU 25 CO 0.73 -0.15 1.35 -1.81 0.23 0.00 0.00 176.35 176.70 1bal s ASP 26 N 1.47 6.63 0.58 2.29 1.11 -1.26 -4.81 116.67 122.69 1bal s ASP 26 Ca -0.03 -1.90 0.17 0.00 0.18 0.00 0.00 52.55 50.98 1bal s ASP 26 Cb -0.13 -2.49 0.95 0.00 1.07 0.00 0.00 42.92 42.32 1bal s ASP 26 CO -0.03 -1.24 1.50 0.00 1.18 0.00 0.00 175.17 176.58 1bal h ALA 27 N 9.01 1.49 -1.19 5.23 0.00 -1.95 -0.21 119.26 131.64 1bal h ALA 27 Ca 0.22 0.00 0.34 0.00 0.00 0.00 0.00 54.91 55.47 1bal h ALA 27 Cb 0.99 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1bal h ALA 27 CO 1.29 -0.49 0.91 0.66 0.00 0.00 0.00 179.25 181.62 1bal h SER 28 N 0.00 0.00 0.68 0.00 4.64 -2.04 1.16 113.55 118.00 1bal h SER 28 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1bal h SER 28 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1bal h SER 28 CO 0.00 0.00 -1.38 0.00 -0.87 0.00 0.00 176.83 174.58 1bal n ALA 29 N -2.70 2.29 -2.63 5.18 0.00 -0.09 -4.81 120.51 117.75 1bal n ALA 29 Ca 0.26 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1bal n ALA 29 Cb 1.29 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 -3.18 5.00 0.19 0.00 -1.09 0.40 -5.05 121.20 117.47 1bal s ILE 30 Ca -0.03 1.08 -0.18 0.00 -2.23 0.00 0.00 60.65 59.30 1bal s ILE 30 Cb 0.10 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.99 1bal s ILE 30 CO 0.82 0.04 0.65 -1.59 -1.23 0.00 0.00 174.94 173.63 1bal s LYS 31 N 2.45 4.16 -0.49 2.79 -2.85 -1.26 -4.88 119.74 119.66 1bal s LYS 31 Ca 0.25 0.73 -0.18 0.00 -1.00 0.00 0.00 55.97 55.77 1bal s LYS 31 Cb -0.16 -2.92 0.06 0.00 -2.06 0.00 0.00 37.83 32.75 1bal s LYS 31 CO 0.09 0.44 0.57 0.20 0.10 0.00 0.00 175.35 176.75 1bal s GLY 32 N -1.63 1.83 -0.60 0.59 0.00 -1.26 -4.90 107.32 101.34 1bal s GLY 32 Ca 0.40 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1bal s GLY 32 CO 0.20 1.38 1.82 -1.30 0.00 0.00 0.00 173.10 175.21 1bal n THR 33 N 5.54 3.35 -0.10 0.90 -2.24 -1.25 -4.18 114.28 116.31 1bal n THR 33 Ca -0.07 -3.43 -0.12 0.00 -2.27 0.00 0.00 64.05 58.16 1bal n THR 33 Cb 0.45 -1.17 0.11 0.00 -2.10 0.00 0.00 70.33 67.63 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 -0.82 -3.62 0.40 3.38 0.00 -1.02 -4.67 105.19 98.85 1bal n GLY 34 Ca 0.57 -1.18 0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.60 0.18 0.00 1.61 2.07 -1.95 -2.96 116.25 112.60 1bal h VAL 35 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1bal h VAL 35 Cb 0.50 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1bal h VAL 35 CO 0.09 0.00 -0.34 0.61 0.02 0.00 0.00 177.57 177.95 1bal n GLY 36 N -1.48 0.00 0.00 2.17 0.00 -1.26 -5.02 105.19 99.60 1bal n GLY 36 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 1.27 0.26 3.29 -0.02 0.00 -1.12 -5.01 105.19 103.86 1bal n GLY 37 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1bal n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bal n ARG 38 N 0.00 0.02 -3.41 1.61 1.74 -1.26 -4.03 116.66 111.32 1bal n ARG 38 Ca 0.00 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.67 1bal n ARG 38 Cb 0.00 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 1bal n ARG 38 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1bal s LEU 39 N 2.70 5.73 0.00 0.55 2.96 -1.26 -2.44 118.68 126.93 1bal s LEU 39 Ca 0.55 -1.56 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 1bal s LEU 39 Cb -0.28 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1bal s LEU 39 CO 0.69 -0.70 0.00 0.35 -1.32 0.00 0.00 176.35 175.37 1bal n THR 40 N 5.14 0.00 -0.06 3.68 -2.24 -1.26 -5.04 114.28 114.50 1bal n THR 40 Ca -0.12 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1bal n THR 40 Cb 0.42 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.00 0.66 -0.19 -0.78 0.00 -1.26 -4.16 116.66 110.94 1bal n ARG 41 Ca 0.00 0.14 0.19 0.00 -0.00 0.00 0.00 57.85 58.18 1bal n ARG 41 Cb 0.00 -1.65 0.55 0.00 0.00 0.00 0.00 32.46 31.36 1bal n ARG 41 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1bal h GLU 42 N 0.00 0.32 -0.02 -0.14 4.39 -1.98 1.32 114.58 118.48 1bal h GLU 42 Ca -0.43 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1bal h GLU 42 Cb 2.13 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1bal h GLU 42 CO 0.05 0.21 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.65 1bal h ASP 43 N 0.33 0.05 0.99 1.42 5.19 -1.91 -3.08 116.42 119.41 1bal h ASP 43 Ca 0.41 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1bal h ASP 43 Cb 1.10 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1bal h ASP 43 CO -0.12 0.58 0.00 0.52 -3.12 0.00 0.00 179.24 177.10 1bal n VAL 44 N -4.79 0.20 0.40 -1.35 0.31 -0.54 -3.85 118.33 108.71 1bal n VAL 44 Ca -0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 1bal n VAL 44 Cb 0.29 -0.58 -0.07 0.00 -0.91 0.00 0.00 33.84 32.57 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 -0.99 0.00 5.55 4.81 0.18 -0.66 114.58 123.47 1bal h GLU 45 Ca 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1bal h GLU 45 Cb 0.49 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1bal h GLU 45 CO 0.00 -0.66 0.34 1.63 -0.73 0.00 0.00 179.01 179.59 1bal n LYS 46 N -4.96 0.05 -0.06 1.92 5.02 -1.24 0.12 118.16 119.02 1bal n LYS 46 Ca -0.13 0.44 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 1bal n LYS 46 Cb 0.40 -2.00 -0.15 0.00 -0.02 0.00 0.00 35.03 33.27 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1bal n HIS 47 N -1.73 0.54 1.04 2.13 -0.00 -0.65 -4.12 115.22 112.43 1bal n HIS 47 Ca -0.00 0.19 0.12 0.00 0.46 0.00 0.00 57.72 58.49 1bal n HIS 47 Cb 0.35 -1.10 0.21 0.00 -0.12 0.00 0.00 29.99 29.33 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 -2.91 0.69 -4.72 0.27 4.77 0.34 -4.93 117.00 110.51 1bal n LEU 48 Ca -0.24 -0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.29 1bal n LEU 48 Cb 1.10 -0.19 0.13 0.00 -2.33 0.00 0.00 43.42 42.13 1bal n LEU 48 CO 0.44 0.16 0.70 0.00 -1.33 0.00 0.00 177.39 177.36 1bal s ALA 49 N -2.91 1.89 0.52 -1.18 0.00 0.42 -4.87 121.76 115.63 1bal s ALA 49 Ca 0.13 0.46 0.21 0.00 0.00 0.00 0.00 51.96 52.76 1bal s ALA 49 Cb 0.18 -3.37 1.34 0.00 0.00 0.00 0.00 23.12 21.26 1bal s ALA 49 CO 0.70 -2.22 2.06 0.87 0.00 0.00 0.00 175.76 177.16 1bal h LYS 50 N -1.39 0.01 0.00 0.00 1.57 -1.91 -3.50 116.57 111.35 1bal h LYS 50 Ca -0.44 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1bal h LYS 50 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1bal h LYS 50 CO 0.47 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.36