#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 0.62 -3.90 -0.72 0.00 -1.26 -5.12 120.51 110.13 1bal n ALA 2 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 1bal n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.01 -0.13 0.00 0.01 -1.26 -5.08 113.70 107.26 1bal s SER 3 Ca 0.00 -0.66 -0.07 0.00 1.31 0.00 0.00 55.95 56.53 1bal s SER 3 Cb 0.00 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 1bal s SER 3 CO 0.00 -0.95 -0.02 -0.07 0.41 0.00 0.00 173.24 172.60 1bal h LEU 4 N 2.00 0.00 -6.99 2.44 4.07 -2.07 -3.40 115.31 111.37 1bal h LEU 4 Ca -0.27 -0.08 -0.73 0.00 0.08 0.00 0.00 57.88 56.87 1bal h LEU 4 Cb 1.21 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.83 1bal h LEU 4 CO 0.36 0.69 2.05 -0.62 -1.08 0.00 0.00 178.44 179.85 1bal n GLU 5 N -4.68 3.34 -1.45 1.13 1.02 -1.26 -4.99 120.64 113.75 1bal n GLU 5 Ca -0.05 -3.42 -0.43 0.00 -0.02 0.00 0.00 57.16 53.23 1bal n GLU 5 Cb 0.18 -3.12 -0.01 0.00 -0.02 0.00 0.00 31.44 28.47 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bal n GLU 6 N 5.54 0.55 -1.69 3.49 2.13 -1.26 -4.70 120.64 124.70 1bal n GLU 6 Ca 0.43 0.20 -0.53 0.00 0.66 0.00 0.00 57.16 57.91 1bal n GLU 6 Cb 0.40 -1.42 -0.06 0.00 0.27 0.00 0.00 31.44 30.63 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N 0.77 1.56 -0.54 5.31 6.02 -1.26 -4.95 117.38 124.29 1bal n GLN 7 Ca 0.12 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1bal n GLN 7 Cb 0.35 -2.31 0.00 0.00 1.02 0.00 0.00 30.24 29.30 1bal n GLN 7 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1bal n ASN 8 N 5.55 0.00 -0.35 1.08 0.23 -1.26 -4.97 115.26 115.53 1bal n ASN 8 Ca 0.24 -0.59 0.05 0.00 -0.53 0.00 0.00 54.58 53.75 1bal n ASN 8 Cb 0.20 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.10 1bal n ASN 8 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1bal h ASN 9 N 0.00 0.91 -3.39 0.53 -1.07 -2.03 -3.39 115.58 107.14 1bal h ASN 9 Ca 0.00 0.04 -0.58 0.00 0.07 0.00 0.00 56.30 55.82 1bal h ASN 9 Cb 0.00 -0.15 -0.09 0.00 -2.07 0.00 0.00 38.32 36.01 1bal h ASN 9 CO 0.00 0.52 -0.03 -0.62 0.07 0.00 0.00 177.43 177.37 1bal s ASP 10 N -5.74 6.69 0.00 6.14 2.15 -1.26 -5.02 116.67 119.63 1bal s ASP 10 Ca -0.12 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.69 1bal s ASP 10 Cb 0.21 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1bal s ASP 10 CO 0.80 -0.12 0.00 0.00 -0.17 0.00 0.00 175.17 175.69 1bal n ALA 11 N 4.25 0.00 -4.45 3.66 0.00 -1.26 -5.02 120.51 117.69 1bal n ALA 11 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1bal n ALA 11 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 -3.97 0.00 4.77 -1.26 -5.08 117.00 111.47 1bal n LEU 12 Ca 0.00 -2.14 -0.09 0.00 -0.03 0.00 0.00 56.01 53.75 1bal n LEU 12 Cb 0.00 0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1bal n LEU 12 CO 0.00 -0.31 -0.11 -0.44 -1.33 0.00 0.00 177.39 175.20 1bal s SER 13 N -2.85 0.14 0.22 -1.43 0.01 -1.26 -5.05 113.70 103.49 1bal s SER 13 Ca 0.02 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.33 1bal s SER 13 Cb 0.00 0.37 0.19 0.00 0.21 0.00 0.00 66.02 66.78 1bal s SER 13 CO 0.02 -0.79 1.89 1.55 0.41 0.00 0.00 173.24 176.32 1bal h PRO 14 N 2.71 1.08 -0.96 12.44 0.13 -2.03 -2.11 132.00 143.25 1bal h PRO 14 Ca -0.33 -0.06 0.24 0.00 -0.87 0.00 0.00 66.00 64.98 1bal h PRO 14 Cb 1.21 -0.24 -0.07 0.00 0.13 0.00 0.00 31.00 32.03 1bal h PRO 14 CO 0.54 0.71 0.65 0.00 -0.23 0.00 0.00 178.00 179.67 1bal h ALA 15 N 1.30 2.43 0.00 -0.56 0.00 -1.97 0.19 119.26 120.66 1bal h ALA 15 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1bal h ALA 15 Cb -0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bal h ALA 15 CO -0.07 -0.75 0.51 0.97 0.00 0.00 0.00 179.25 179.91 1bal h ILE 16 N 0.28 0.00 0.11 0.00 2.10 -1.80 0.44 117.51 118.64 1bal h ILE 16 Ca 0.50 0.00 -0.37 0.00 1.08 0.00 0.00 64.86 66.07 1bal h ILE 16 Cb 1.47 0.30 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 1bal h ILE 16 CO -0.16 0.00 -2.04 0.54 -1.08 0.00 0.00 178.15 175.41 1bal n ARG 17 N -2.32 0.75 -0.28 2.19 1.74 0.68 -4.00 116.66 115.44 1bal n ARG 17 Ca -0.01 0.25 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 1bal n ARG 17 Cb 0.53 -1.69 0.16 0.00 -1.02 0.00 0.00 32.46 30.43 1bal n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bal n ARG 18 N -3.46 2.22 0.02 5.56 1.74 0.14 -3.77 116.66 119.09 1bal n ARG 18 Ca -0.33 -1.26 -0.05 0.00 -0.77 0.00 0.00 57.85 55.43 1bal n ARG 18 Cb 1.04 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.83 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 1.81 0.00 -0.71 0.55 5.85 -1.23 -3.13 115.31 118.45 1bal h LEU 19 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1bal h LEU 19 Cb 0.78 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1bal h LEU 19 CO 0.11 0.85 -0.62 -0.07 -0.34 0.00 0.00 178.44 178.37 1bal h LEU 20 N 0.00 0.11 0.01 2.25 3.38 -1.79 -3.14 115.31 116.13 1bal h LEU 20 Ca -0.19 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1bal h LEU 20 Cb 1.82 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1bal h LEU 20 CO 0.08 0.70 -0.20 0.00 0.09 0.00 0.00 178.44 179.11 1bal h ALA 21 N 1.30 0.00 -0.85 1.53 0.00 -1.79 0.33 119.26 119.78 1bal h ALA 21 Ca -0.01 -0.49 0.22 0.00 0.00 0.00 0.00 54.91 54.64 1bal h ALA 21 Cb 1.10 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1bal h ALA 21 CO 0.09 0.06 0.17 1.49 0.00 0.00 0.00 179.25 181.06 1bal h GLU 22 N -0.67 0.17 0.00 0.00 4.81 -1.58 0.40 114.58 117.71 1bal h GLU 22 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1bal h GLU 22 Cb 1.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1bal h GLU 22 CO 0.04 0.12 -0.87 0.72 -0.73 0.00 0.00 179.01 178.28 1bal n HIS 23 N -5.26 0.13 -3.89 0.92 8.25 -1.19 -4.96 115.22 109.22 1bal n HIS 23 Ca 0.19 0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.42 1bal n HIS 23 Cb 0.63 -0.29 0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.73 -2.56 -4.91 0.41 4.13 0.14 -4.95 115.26 105.78 1bal n ASN 24 Ca 0.03 -0.86 -0.29 0.00 1.68 0.00 0.00 54.58 55.14 1bal n ASN 24 Cb 0.38 -3.64 -0.04 0.00 -1.54 0.00 0.00 39.78 34.95 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 -7.03 4.19 -0.98 3.41 1.43 -0.95 -5.02 118.68 113.73 1bal s LEU 25 Ca 0.33 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.81 1bal s LEU 25 Cb -0.17 -3.31 0.17 0.00 0.03 0.00 0.00 46.19 42.91 1bal s LEU 25 CO 0.85 -0.06 1.12 -1.81 0.23 0.00 0.00 176.35 176.67 1bal s ASP 26 N -2.99 6.80 0.66 2.29 1.01 -1.26 -4.84 116.67 118.35 1bal s ASP 26 Ca 0.41 -2.50 0.15 0.00 0.71 0.00 0.00 52.55 51.31 1bal s ASP 26 Cb -0.11 -2.35 0.79 0.00 1.01 0.00 0.00 42.92 42.27 1bal s ASP 26 CO 0.28 -0.84 1.45 0.00 0.21 0.00 0.00 175.17 176.27 1bal h ALA 27 N 8.10 1.67 -1.03 5.23 0.00 -1.95 0.11 119.26 131.39 1bal h ALA 27 Ca 0.18 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.36 1bal h ALA 27 Cb 0.98 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1bal h ALA 27 CO 1.06 -0.67 0.69 1.03 0.00 0.00 0.00 179.25 181.35 1bal h SER 28 N 0.00 0.31 0.03 0.00 0.87 -2.05 0.26 113.55 112.97 1bal h SER 28 Ca 0.00 0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 1bal h SER 28 Cb 1.35 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1bal h SER 28 CO 0.00 0.07 -0.94 0.00 -0.53 0.00 0.00 176.83 175.43 1bal h ALA 29 N 1.57 0.24 -2.55 6.23 0.00 -1.18 -3.44 119.26 120.13 1bal h ALA 29 Ca 0.55 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 1bal h ALA 29 Cb 1.62 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.45 1bal h ALA 29 CO -0.19 0.71 0.64 0.42 0.00 0.00 0.00 179.25 180.83 1bal s ILE 30 N -3.44 3.58 -0.25 0.00 -1.09 0.92 -4.98 121.20 115.93 1bal s ILE 30 Ca -0.09 1.17 -0.20 0.00 -2.23 0.00 0.00 60.65 59.30 1bal s ILE 30 Cb 0.08 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1bal s ILE 30 CO 0.91 0.11 0.62 -1.59 -1.23 0.00 0.00 174.94 173.75 1bal s LYS 31 N 0.80 4.11 -1.22 2.79 -2.85 -1.26 -4.95 119.74 117.17 1bal s LYS 31 Ca 0.60 0.53 -0.18 0.00 -1.00 0.00 0.00 55.97 55.92 1bal s LYS 31 Cb -0.34 -3.64 0.08 0.00 -2.06 0.00 0.00 37.83 31.87 1bal s LYS 31 CO 0.31 -0.39 1.61 0.20 0.10 0.00 0.00 175.35 177.19 1bal s GLY 32 N 1.45 1.70 0.00 0.59 0.00 -1.26 -4.75 107.32 105.05 1bal s GLY 32 Ca 0.26 -2.86 0.10 0.00 0.00 0.00 0.00 44.72 42.22 1bal s GLY 32 CO 0.09 2.59 1.10 -1.30 0.00 0.00 0.00 173.10 175.57 1bal n THR 33 N 6.18 0.00 -0.91 0.90 -2.24 -1.26 -4.09 114.28 112.85 1bal n THR 33 Ca 0.43 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.92 1bal n THR 33 Cb 0.47 -0.47 0.18 0.00 -2.10 0.00 0.00 70.33 68.41 1bal n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bal s GLY 34 N -1.72 1.60 0.51 3.38 0.00 -1.23 -4.80 107.32 105.06 1bal s GLY 34 Ca 0.15 -0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.63 1bal s GLY 34 CO 0.12 0.54 0.96 -0.62 0.00 0.00 0.00 173.10 174.10 1bal n VAL 35 N -4.32 2.94 -0.59 1.40 0.31 -1.26 -0.17 118.33 116.63 1bal n VAL 35 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1bal n VAL 35 Cb 0.55 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1bal n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bal n GLY 36 N 1.26 0.27 2.10 2.92 0.00 -1.26 -1.67 105.19 108.81 1bal n GLY 36 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 0.59 3.60 -0.02 0.00 0.76 -5.02 105.19 103.11 1bal n GLY 37 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 0.18 -0.21 1.61 3.52 -0.67 -4.50 118.95 118.85 1bal s ARG 38 Ca 0.00 1.01 -0.19 0.00 -0.13 0.00 0.00 55.73 56.42 1bal s ARG 38 Cb 0.00 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.69 1bal s ARG 38 CO 0.00 -3.04 0.55 -1.17 -0.81 0.00 0.00 175.30 170.83 1bal s LEU 39 N -6.78 4.13 0.00 -0.88 2.96 -1.26 -3.49 118.68 113.36 1bal s LEU 39 Ca 0.67 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 1bal s LEU 39 Cb -0.22 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.73 1bal s LEU 39 CO 0.61 -0.22 0.04 0.35 -1.32 0.00 0.00 176.35 175.81 1bal n THR 40 N 4.67 0.00 -0.08 3.68 -2.24 -1.26 -5.04 114.28 114.01 1bal n THR 40 Ca -0.04 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1bal n THR 40 Cb 0.50 -1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 67.37 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 -1.08 0.68 0.00 -0.78 0.63 -1.26 -4.14 116.66 110.72 1bal n ARG 41 Ca 0.01 -0.04 0.10 0.00 -0.92 0.00 0.00 57.85 57.00 1bal n ARG 41 Cb 0.03 -1.52 0.56 0.00 0.45 0.00 0.00 32.46 31.97 1bal n ARG 41 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1bal n GLU 42 N -2.68 0.41 -0.08 -0.14 0.00 -1.26 -1.52 120.64 115.38 1bal n GLU 42 Ca -0.28 0.06 -0.07 0.00 0.00 0.00 0.00 57.16 56.87 1bal n GLU 42 Cb 1.06 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.85 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bal n ASP 43 N -1.20 0.15 -0.09 -1.84 8.00 -1.26 -4.06 116.55 116.25 1bal n ASP 43 Ca 0.12 0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 1bal n ASP 43 Cb 0.14 0.92 -0.05 0.00 -0.02 0.00 0.00 41.12 42.11 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 -2.75 1.48 -0.19 2.53 0.31 -1.07 -3.99 118.33 114.65 1bal n VAL 44 Ca -0.27 0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.11 1bal n VAL 44 Cb 1.08 -2.26 0.05 0.00 -0.91 0.00 0.00 33.84 31.80 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 -1.00 -0.01 -0.20 5.55 4.81 -1.54 0.83 114.58 123.02 1bal h GLU 45 Ca -0.15 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1bal h GLU 45 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1bal h GLU 45 CO -0.09 -0.01 0.25 -0.22 -0.73 0.00 0.00 179.01 178.21 1bal h LYS 46 N -0.01 0.00 -0.06 1.92 1.63 -1.73 0.16 116.57 118.48 1bal h LYS 46 Ca 0.27 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.97 1bal h LYS 46 Cb 0.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1bal h LYS 46 CO -0.59 0.00 -0.43 1.25 -3.45 0.00 0.00 179.45 176.23 1bal h HIS 47 N 0.00 0.16 -1.54 1.91 2.76 0.56 -3.33 115.15 115.68 1bal h HIS 47 Ca 0.09 -0.04 -0.74 0.00 -2.20 0.00 0.00 60.37 57.48 1bal h HIS 47 Cb 0.59 -0.04 -0.15 0.00 1.55 0.00 0.00 27.41 29.36 1bal h HIS 47 CO 0.00 0.55 1.87 1.28 -1.30 0.00 0.00 177.93 180.33 1bal n LEU 48 N -4.02 6.01 -4.59 0.26 4.77 0.57 -4.96 117.00 115.05 1bal n LEU 48 Ca -0.02 -4.49 -0.41 0.00 -0.03 0.00 0.00 56.01 51.06 1bal n LEU 48 Cb 0.48 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1bal n LEU 48 CO 0.41 1.03 1.79 0.00 -1.33 0.00 0.00 177.39 179.28 1bal s ALA 49 N 1.30 2.53 -0.35 -1.18 0.00 -1.25 -4.76 121.76 118.05 1bal s ALA 49 Ca 0.42 0.43 0.14 0.00 0.00 0.00 0.00 51.96 52.95 1bal s ALA 49 Cb 0.05 -4.12 0.43 0.00 0.00 0.00 0.00 23.12 19.47 1bal s ALA 49 CO 0.00 -3.12 1.23 0.36 0.00 0.00 0.00 175.76 174.23 1bal n LYS 50 N 8.75 1.26 0.00 0.00 2.85 -1.26 -5.21 118.16 124.56 1bal n LYS 50 Ca 0.29 -2.38 0.00 0.00 -1.05 0.00 0.00 58.31 55.17 1bal n LYS 50 Cb 0.48 -0.53 0.00 0.00 -0.65 0.00 0.00 35.03 34.32 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35