#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 -0.58 0.00 -0.72 0.00 -1.26 -5.12 121.76 114.09 1bal s ALA 2 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1bal s ALA 2 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1bal s ALA 2 CO 0.00 -0.14 0.00 0.43 0.00 0.00 0.00 175.76 176.05 1bal n SER 3 N 3.30 0.00 -4.42 0.00 7.64 -1.26 -5.06 113.62 113.83 1bal n SER 3 Ca -0.16 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.15 1bal n SER 3 Cb 0.57 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 1.52 -4.60 -3.43 4.32 -1.26 -4.73 117.00 108.82 1bal n LEU 4 Ca 0.00 0.66 -0.56 0.00 -0.02 0.00 0.00 56.01 56.09 1bal n LEU 4 Cb 0.00 -1.07 -0.07 0.00 -1.62 0.00 0.00 43.42 40.66 1bal n LEU 4 CO 0.00 -0.72 0.90 -0.62 -1.22 0.00 0.00 177.39 175.74 1bal n GLU 5 N 7.27 0.72 -3.53 3.23 1.02 -1.26 -4.94 120.64 123.16 1bal n GLU 5 Ca 0.45 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.67 1bal n GLU 5 Cb 0.08 -1.86 -0.13 0.00 -0.02 0.00 0.00 31.44 29.51 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bal s GLU 6 N 1.08 0.16 -0.20 3.49 2.56 -1.26 -5.13 118.70 119.40 1bal s GLU 6 Ca 0.90 0.28 -0.28 0.00 0.00 0.00 0.00 54.97 55.87 1bal s GLU 6 Cb -1.11 -1.03 0.12 0.00 2.00 0.00 0.00 34.13 34.11 1bal s GLU 6 CO 0.56 -0.58 0.98 1.14 -0.56 0.00 0.00 175.26 176.80 1bal s GLN 7 N 2.32 0.60 0.08 4.30 -2.07 -1.26 -5.14 119.66 118.49 1bal s GLN 7 Ca 0.06 0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.94 1bal s GLN 7 Cb -0.15 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1bal s GLN 7 CO -0.11 -0.15 0.00 0.27 -1.32 0.00 0.00 175.29 173.98 1bal n ASN 8 N 1.34 -0.09 -3.92 12.60 0.23 -1.26 -4.86 115.26 119.30 1bal n ASN 8 Ca -0.12 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.84 1bal n ASN 8 Cb 0.57 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.18 1bal n ASN 8 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bal s ASN 9 N -4.00 0.17 -0.98 0.53 4.22 -1.26 -5.05 114.94 108.57 1bal s ASN 9 Ca 0.00 -0.56 -0.04 0.00 -2.14 0.00 0.00 52.86 50.13 1bal s ASN 9 Cb 0.00 0.25 0.18 0.00 1.28 0.00 0.00 41.25 42.96 1bal s ASN 9 CO 0.00 -0.55 2.31 -0.67 -2.04 0.00 0.00 177.10 176.14 1bal n ASP 10 N 0.59 7.44 0.00 3.54 2.03 -1.26 -4.82 116.55 124.08 1bal n ASP 10 Ca -0.18 -3.37 0.00 0.00 0.52 0.00 0.00 54.79 51.76 1bal n ASP 10 Cb 0.59 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bal n ALA 11 N 0.81 0.00 -1.08 -1.67 0.00 -1.26 -5.14 120.51 112.17 1bal n ALA 11 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 1bal n ALA 11 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.92 -3.89 0.00 4.77 -1.26 -5.00 117.00 108.70 1bal n LEU 12 Ca 0.00 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 1bal n LEU 12 Cb 0.00 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.06 1bal n LEU 12 CO 0.00 -4.67 0.02 -0.55 -1.33 0.00 0.00 177.39 170.86 1bal s SER 13 N -1.28 -0.01 0.18 -1.43 0.15 -1.26 -4.80 113.70 105.26 1bal s SER 13 Ca 0.53 -0.74 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 1bal s SER 13 Cb -0.30 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.55 1bal s SER 13 CO 0.71 -0.88 1.82 1.55 1.20 0.00 0.00 173.24 177.63 1bal h PRO 14 N 2.52 0.82 -0.90 5.44 0.13 -2.02 -2.12 132.00 135.88 1bal h PRO 14 Ca -0.32 -0.07 0.26 0.00 -0.87 0.00 0.00 66.00 65.00 1bal h PRO 14 Cb 1.23 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1bal h PRO 14 CO 0.48 0.59 0.89 0.00 -0.23 0.00 0.00 178.00 179.73 1bal h ALA 15 N 1.19 2.74 0.00 -0.56 0.00 -1.98 0.15 119.26 120.80 1bal h ALA 15 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bal h ALA 15 Cb -0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bal h ALA 15 CO -0.04 -1.35 0.68 0.97 0.00 0.00 0.00 179.25 179.51 1bal h ILE 16 N 0.00 0.00 0.06 0.00 2.10 -1.80 1.08 117.51 118.95 1bal h ILE 16 Ca 0.43 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 66.04 1bal h ILE 16 Cb 2.20 0.26 -0.03 0.00 -1.09 0.00 0.00 36.82 38.16 1bal h ILE 16 CO -0.00 0.00 -1.81 0.54 -1.08 0.00 0.00 178.15 175.80 1bal n ARG 17 N -2.52 0.67 0.00 2.19 5.12 0.52 -4.06 116.66 118.59 1bal n ARG 17 Ca -0.01 0.37 0.15 0.00 -1.93 0.00 0.00 57.85 56.42 1bal n ARG 17 Cb 0.70 -1.70 0.69 0.00 -1.16 0.00 0.00 32.46 31.00 1bal n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bal n ARG 18 N -3.86 0.55 0.18 5.56 5.12 0.17 -3.53 116.66 120.85 1bal n ARG 18 Ca -0.35 -0.10 0.12 0.00 -1.93 0.00 0.00 57.85 55.60 1bal n ARG 18 Cb 0.90 -1.50 0.66 0.00 -1.16 0.00 0.00 32.46 31.36 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 0.24 0.00 -0.01 0.55 5.85 0.76 0.18 115.31 122.87 1bal h LEU 19 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bal h LEU 19 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1bal h LEU 19 CO 0.00 0.00 0.00 -0.07 -0.34 0.00 0.00 178.44 178.03 1bal h LEU 20 N 0.00 0.00 0.00 2.25 3.38 -1.81 -3.23 115.31 115.90 1bal h LEU 20 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1bal h LEU 20 Cb 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1bal h LEU 20 CO 0.00 0.00 -2.08 0.00 0.09 0.00 0.00 178.44 176.45 1bal n ALA 21 N -1.83 1.58 -0.08 1.53 0.00 0.60 -0.91 120.51 121.40 1bal n ALA 21 Ca 0.05 -1.06 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 1bal n ALA 21 Cb 0.44 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 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 0.40 -0.39 0.00 4.81 -1.54 -2.72 114.58 115.13 1bal h GLU 22 Ca -0.41 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1bal h GLU 22 Cb 2.08 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1bal h GLU 22 CO 0.05 0.50 0.00 0.72 -0.73 0.00 0.00 179.01 179.54 1bal n HIS 23 N -4.72 0.51 -3.72 0.92 -0.00 -1.22 -4.95 115.22 102.04 1bal n HIS 23 Ca -0.03 -0.26 -0.31 0.00 -0.00 0.00 0.00 57.72 57.13 1bal n HIS 23 Cb 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.20 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1bal n ASN 24 N 0.97 -4.56 -3.85 0.41 3.02 -1.03 -4.98 115.26 105.25 1bal n ASN 24 Ca 0.18 -1.01 -0.17 0.00 -0.03 0.00 0.00 54.58 53.55 1bal n ASN 24 Cb 0.46 -3.35 -0.16 0.00 -0.61 0.00 0.00 39.78 36.12 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 -6.55 1.33 0.07 3.41 1.43 -0.09 -5.02 118.68 113.26 1bal s LEU 25 Ca 0.40 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.28 1bal s LEU 25 Cb -0.14 -0.24 -0.07 0.00 0.03 0.00 0.00 46.19 45.77 1bal s LEU 25 CO 0.86 -0.07 0.54 -1.81 0.23 0.00 0.00 176.35 176.11 1bal s ASP 26 N 0.82 6.99 0.25 2.29 1.01 -1.26 -4.59 116.67 122.17 1bal s ASP 26 Ca -0.09 1.19 0.25 0.00 0.71 0.00 0.00 52.55 54.62 1bal s ASP 26 Cb -0.12 -2.33 0.90 0.00 1.01 0.00 0.00 42.92 42.38 1bal s ASP 26 CO -0.01 0.26 1.75 0.00 0.21 0.00 0.00 175.17 177.37 1bal n ALA 27 N 1.59 1.98 -0.29 5.23 0.00 -1.26 -3.27 120.51 124.49 1bal n ALA 27 Ca -0.10 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1bal n ALA 27 Cb 0.51 -1.43 0.14 0.00 0.00 0.00 0.00 19.45 18.67 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 0.76 0.01 0.00 4.64 -2.03 -1.35 113.55 115.58 1bal h SER 28 Ca 0.00 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 1bal h SER 28 Cb 0.56 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1bal h SER 28 CO 0.00 0.47 -0.42 0.00 -0.87 0.00 0.00 176.83 176.01 1bal h ALA 29 N 1.41 0.87 -1.82 5.18 0.00 -1.98 -3.41 119.26 119.52 1bal h ALA 29 Ca 0.37 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 1bal h ALA 29 Cb 0.23 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1bal h ALA 29 CO -0.19 0.64 1.02 0.42 0.00 0.00 0.00 179.25 181.13 1bal s ILE 30 N -4.20 4.03 -0.02 0.00 -1.09 -0.51 -4.96 121.20 114.45 1bal s ILE 30 Ca -0.07 1.08 -0.30 0.00 -2.23 0.00 0.00 60.65 59.13 1bal s ILE 30 Cb 0.12 -4.27 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 1bal s ILE 30 CO 0.82 -0.73 1.73 -0.54 -1.23 0.00 0.00 174.94 174.99 1bal s LYS 31 N 4.64 4.17 -0.14 2.79 1.02 -1.26 -4.92 119.74 126.04 1bal s LYS 31 Ca 0.57 2.31 -0.13 0.00 0.02 0.00 0.00 55.97 58.75 1bal s LYS 31 Cb -0.13 -3.98 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1bal s LYS 31 CO 0.30 -0.86 0.27 0.20 -0.92 0.00 0.00 175.35 174.34 1bal s GLY 32 N 3.51 2.21 -0.02 -3.33 0.00 -1.26 -4.98 107.32 103.45 1bal s GLY 32 Ca 0.77 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 1bal s GLY 32 CO 0.33 0.28 -0.00 -0.91 0.00 0.00 0.00 173.10 172.80 1bal h THR 33 N 4.50 0.00 -0.96 0.90 1.35 -1.81 -3.33 112.91 113.56 1bal h THR 33 Ca -0.44 -0.21 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1bal h THR 33 Cb 1.18 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1bal h THR 33 CO 0.72 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.59 1bal n GLY 34 N 1.95 -0.45 0.20 5.82 0.00 -1.03 -0.53 105.19 111.16 1bal n GLY 34 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.02 1.33 0.00 1.61 2.07 -1.95 -3.37 116.25 115.92 1bal h VAL 35 Ca 0.00 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1bal h VAL 35 Cb 0.02 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1bal h VAL 35 CO 0.00 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1bal n GLY 36 N 0.15 0.93 0.00 2.17 0.00 -1.24 -4.98 105.19 102.21 1bal n GLY 36 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.34 0.00 3.95 -0.02 0.00 0.31 -5.03 105.19 104.73 1bal n GLY 37 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 3.48 0.22 1.61 0.52 -1.14 -4.70 118.95 118.94 1bal s ARG 38 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1bal s ARG 38 Cb 0.00 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1bal s ARG 38 CO 0.00 0.26 0.40 -1.17 0.02 0.00 0.00 175.30 174.81 1bal s LEU 39 N -4.07 4.22 0.00 2.53 2.96 -1.26 -2.48 118.68 120.58 1bal s LEU 39 Ca 0.38 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1bal s LEU 39 Cb -0.10 -3.13 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1bal s LEU 39 CO 0.33 -0.07 0.00 0.35 -1.32 0.00 0.00 176.35 175.64 1bal n THR 40 N -0.87 0.00 -0.07 3.68 -2.24 -1.26 -4.96 114.28 108.57 1bal n THR 40 Ca -0.05 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 1bal n THR 40 Cb 0.54 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.68 0.25 -0.78 0.00 -1.26 -3.90 116.66 111.66 1bal n ARG 41 Ca 0.00 0.25 0.11 0.00 -0.00 0.00 0.00 57.85 58.21 1bal n ARG 41 Cb 0.00 -1.62 0.67 0.00 0.00 0.00 0.00 32.46 31.51 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 -0.17 0.00 0.47 -0.14 3.07 -1.98 -1.91 114.58 113.92 1bal h GLU 42 Ca -0.50 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.33 1bal h GLU 42 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.79 1bal h GLU 42 CO -0.06 0.14 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.03 1bal h ASP 43 N 0.00 -0.53 -0.14 1.42 5.19 -1.96 -2.88 116.42 117.52 1bal h ASP 43 Ca -0.00 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1bal h ASP 43 Cb 0.33 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1bal h ASP 43 CO 0.02 -0.15 0.18 0.58 -3.12 0.00 0.00 179.24 176.74 1bal h VAL 44 N -1.07 0.41 -0.06 -1.35 2.07 -1.66 0.11 116.25 114.70 1bal h VAL 44 Ca -0.06 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1bal h VAL 44 Cb 0.48 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1bal h VAL 44 CO 0.11 0.00 -0.39 -0.08 0.02 0.00 0.00 177.57 177.23 1bal h GLU 45 N 0.00 0.12 -1.01 1.57 4.81 -1.26 -2.46 114.58 116.33 1bal h GLU 45 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1bal h GLU 45 Cb 0.42 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1bal h GLU 45 CO -0.00 0.49 0.00 1.63 -0.73 0.00 0.00 179.01 180.40 1bal n LYS 46 N -4.06 0.79 0.00 1.92 5.02 0.39 -3.48 118.16 118.75 1bal n LYS 46 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1bal n LYS 46 Cb 0.44 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.37 -0.25 0.00 2.13 -0.00 -0.97 -4.59 115.22 111.91 1bal n HIS 47 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1bal n HIS 47 Cb 0.30 0.31 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 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 -2.13 0.00 0.00 0.27 4.77 -0.97 -4.66 117.00 114.28 1bal n LEU 48 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1bal n LEU 48 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bal n LEU 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1bal n ALA 49 N -0.80 0.00 -2.50 -1.18 0.00 -1.25 -4.81 120.51 109.96 1bal n ALA 49 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1bal n ALA 49 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1bal n ALA 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bal s LYS 50 N 0.00 4.01 0.00 0.00 2.47 -1.26 -5.00 119.74 119.95 1bal s LYS 50 Ca 0.00 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1bal s LYS 50 Cb 0.00 -3.81 0.00 0.00 -1.46 0.00 0.00 37.83 32.56 1bal s LYS 50 CO 0.00 -0.99 0.13 0.00 0.16 0.00 0.00 175.35 174.65