#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 -0.45 0.00 -0.72 0.00 -1.26 -5.14 121.76 114.19 1bal s ALA 2 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1bal s ALA 2 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1bal s ALA 2 CO 0.00 -0.56 0.00 0.43 0.00 0.00 0.00 175.76 175.63 1bal n SER 3 N 5.19 0.00 0.00 0.00 7.64 -1.26 -5.10 113.62 120.09 1bal n SER 3 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1bal n SER 3 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 -4.96 -3.43 4.77 -1.26 -4.79 117.00 107.32 1bal n LEU 4 Ca 0.00 0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 1bal n LEU 4 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1bal n LEU 4 CO 0.00 0.00 -0.03 -1.61 -1.33 0.00 0.00 177.39 174.42 1bal s GLU 5 N -0.69 3.45 -0.01 3.23 2.02 -1.26 -5.12 118.70 120.32 1bal s GLU 5 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1bal s GLU 5 Cb 0.00 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.35 1bal s GLU 5 CO 0.00 0.42 -0.00 -2.00 0.02 0.00 0.00 175.26 173.70 1bal s GLU 6 N -3.87 0.07 -0.05 1.61 2.56 -1.26 -5.01 118.70 112.75 1bal s GLU 6 Ca 0.35 0.02 0.10 0.00 0.00 0.00 0.00 54.97 55.44 1bal s GLU 6 Cb -0.09 -0.15 0.39 0.00 2.00 0.00 0.00 34.13 36.28 1bal s GLU 6 CO 0.29 -0.03 1.24 1.04 -0.56 0.00 0.00 175.26 177.24 1bal n GLN 7 N 3.39 2.40 -3.07 4.30 6.02 -1.26 -4.68 117.38 124.49 1bal n GLN 7 Ca -0.17 -1.54 -0.45 0.00 -0.01 0.00 0.00 57.00 54.84 1bal n GLN 7 Cb 0.57 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 1bal n GLN 7 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1bal s ASN 8 N -0.76 6.96 -0.27 1.08 0.01 -1.26 -4.92 114.94 115.78 1bal s ASN 8 Ca 0.28 -2.82 -0.07 0.00 -0.71 0.00 0.00 52.86 49.54 1bal s ASN 8 Cb 0.17 -2.34 0.13 0.00 0.41 0.00 0.00 41.25 39.62 1bal s ASN 8 CO 0.14 -0.72 0.56 0.54 -1.51 0.00 0.00 177.10 176.12 1bal s ASN 9 N 2.67 -0.86 -0.14 -1.22 4.22 -1.26 -5.15 114.94 113.20 1bal s ASN 9 Ca 0.34 1.24 -0.10 0.00 -2.14 0.00 0.00 52.86 52.21 1bal s ASN 9 Cb -0.06 1.96 0.05 0.00 1.28 0.00 0.00 41.25 44.48 1bal s ASN 9 CO -0.05 -0.23 0.35 -0.62 -2.04 0.00 0.00 177.10 174.50 1bal s ASP 10 N 2.80 -0.39 0.00 3.54 -1.08 -1.26 -5.15 116.67 115.12 1bal s ASP 10 Ca 0.00 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.76 1bal s ASP 10 Cb -0.13 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 1bal s ASP 10 CO -0.17 -0.16 0.00 0.00 0.52 0.00 0.00 175.17 175.36 1bal n ALA 11 N 3.65 0.00 -1.16 3.66 0.00 -1.26 -5.14 120.51 120.27 1bal n ALA 11 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1bal n ALA 11 Cb 0.56 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.42 -4.64 0.00 4.77 -1.26 -4.76 117.00 108.70 1bal n LEU 12 Ca 0.00 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.04 1bal n LEU 12 Cb 0.00 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 1bal n LEU 12 CO 0.00 -4.43 1.54 -0.94 -1.33 0.00 0.00 177.39 172.23 1bal s SER 13 N -1.24 6.23 0.54 -1.43 1.04 -1.26 -4.83 113.70 112.76 1bal s SER 13 Ca 0.56 2.04 0.37 0.00 0.48 0.00 0.00 55.95 59.40 1bal s SER 13 Cb -0.34 -2.53 1.97 0.00 0.10 0.00 0.00 66.02 65.22 1bal s SER 13 CO 0.68 -1.32 2.12 -0.65 0.98 0.00 0.00 173.24 175.05 1bal h PRO 14 N 11.50 0.00 -0.01 4.02 0.11 -2.05 0.14 132.00 145.70 1bal h PRO 14 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1bal h PRO 14 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bal h PRO 14 CO 0.97 0.00 -0.53 0.00 -0.21 0.00 0.00 178.00 178.23 1bal n ALA 15 N -1.98 3.69 -0.06 -0.75 0.00 -1.26 -4.33 120.51 115.83 1bal n ALA 15 Ca -0.02 -0.61 0.24 0.00 0.00 0.00 0.00 53.44 53.05 1bal n ALA 15 Cb 0.07 -0.83 0.55 0.00 0.00 0.00 0.00 19.45 19.24 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 1.90 0.13 0.11 0.00 2.10 -1.09 1.89 117.51 122.56 1bal h ILE 16 Ca 0.00 0.00 -0.29 0.00 1.08 0.00 0.00 64.86 65.65 1bal h ILE 16 Cb 0.69 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 36.68 1bal h ILE 16 CO 0.00 0.00 -1.39 0.03 -1.08 0.00 0.00 178.15 175.71 1bal h ARG 17 N 0.00 0.23 -0.26 2.19 3.08 -1.77 -3.31 114.38 114.53 1bal h ARG 17 Ca 0.35 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1bal h ARG 17 Cb 2.13 0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.32 1bal h ARG 17 CO -0.00 1.12 0.00 0.54 -1.07 0.00 0.00 179.97 180.55 1bal n ARG 18 N -3.45 2.21 0.05 0.04 1.74 0.44 -4.23 116.66 113.45 1bal n ARG 18 Ca -0.12 -2.03 0.13 0.00 -0.77 0.00 0.00 57.85 55.06 1bal n ARG 18 Cb 1.03 -1.44 0.52 0.00 -1.02 0.00 0.00 32.46 31.55 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N 1.25 0.38 0.07 0.55 7.94 0.54 -2.85 117.00 124.88 1bal n LEU 19 Ca 0.16 0.54 -0.18 0.00 -1.11 0.00 0.00 56.01 55.41 1bal n LEU 19 Cb 0.54 -0.42 -0.14 0.00 0.53 0.00 0.00 43.42 43.93 1bal n LEU 19 CO 0.14 -0.09 -0.36 -0.07 -1.11 0.00 0.00 177.39 175.89 1bal h LEU 20 N 0.00 0.46 -0.58 -1.96 3.38 -1.76 -3.29 115.31 111.57 1bal h LEU 20 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1bal h LEU 20 Cb 0.60 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1bal h LEU 20 CO 0.00 1.52 -0.05 0.00 0.09 0.00 0.00 178.44 180.00 1bal n ALA 21 N -2.70 2.70 0.69 1.53 0.00 -1.22 -1.13 120.51 120.37 1bal n ALA 21 Ca -0.18 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.02 1bal n ALA 21 Cb 1.05 -1.26 0.11 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.37 0.21 -0.05 0.00 2.13 -1.13 -4.18 120.64 117.24 1bal n GLU 22 Ca 0.18 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1bal n GLU 22 Cb 0.29 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.88 0.00 -3.10 4.31 8.25 -1.22 -5.05 115.22 116.53 1bal n HIS 23 Ca 0.03 -0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.30 1bal n HIS 23 Cb 0.41 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.15 -7.48 -4.23 0.41 4.05 -0.94 -5.02 115.26 101.90 1bal n ASN 24 Ca 0.01 -0.03 -0.26 0.00 0.45 0.00 0.00 54.58 54.75 1bal n ASN 24 Cb 0.47 -4.86 -0.15 0.00 1.23 0.00 0.00 39.78 36.47 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bal s LEU 25 N -3.74 2.12 -0.74 1.20 1.43 -0.29 -5.04 118.68 113.63 1bal s LEU 25 Ca 0.07 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1bal s LEU 25 Cb -0.02 -0.99 0.19 0.00 0.03 0.00 0.00 46.19 45.40 1bal s LEU 25 CO 0.77 0.19 0.67 1.51 0.23 0.00 0.00 176.35 179.72 1bal s ASP 26 N -0.90 6.47 0.24 2.29 -4.77 -1.26 -4.77 116.67 113.96 1bal s ASP 26 Ca 0.07 -2.49 -0.06 0.00 -3.30 0.00 0.00 52.55 46.77 1bal s ASP 26 Cb -0.08 -2.17 0.44 0.00 -1.09 0.00 0.00 42.92 40.02 1bal s ASP 26 CO 0.01 -0.62 1.67 0.00 0.70 0.00 0.00 175.17 176.93 1bal h ALA 27 N 7.96 0.88 -1.09 2.11 0.00 -1.95 0.46 119.26 127.62 1bal h ALA 27 Ca 0.00 0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.40 1bal h ALA 27 Cb 1.05 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1bal h ALA 27 CO 0.81 -0.37 0.74 0.66 0.00 0.00 0.00 179.25 181.09 1bal h SER 28 N 0.20 0.26 -0.15 0.00 4.64 -2.05 0.56 113.55 117.03 1bal h SER 28 Ca 0.41 0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.63 1bal h SER 28 Cb 0.70 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1bal h SER 28 CO -0.55 0.04 -0.43 0.00 -0.87 0.00 0.00 176.83 175.02 1bal h ALA 29 N 1.54 0.72 -2.54 5.18 0.00 -0.50 -3.43 119.26 120.24 1bal h ALA 29 Ca 0.59 -0.46 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 1bal h ALA 29 Cb 1.82 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 19.53 1bal h ALA 29 CO -0.19 0.66 0.80 0.42 0.00 0.00 0.00 179.25 180.94 1bal s ILE 30 N -4.24 3.13 -1.06 0.00 -1.09 0.20 -4.89 121.20 113.24 1bal s ILE 30 Ca -0.09 0.78 -0.23 0.00 -2.23 0.00 0.00 60.65 58.89 1bal s ILE 30 Cb 0.12 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1bal s ILE 30 CO 0.85 0.05 1.76 -0.54 -1.23 0.00 0.00 174.94 175.83 1bal s LYS 31 N 1.35 3.10 -1.39 2.79 3.01 -1.26 -4.86 119.74 122.47 1bal s LYS 31 Ca 0.67 -1.00 -0.14 0.00 -1.01 0.00 0.00 55.97 54.48 1bal s LYS 31 Cb -0.38 -5.27 0.07 0.00 -1.01 0.00 0.00 37.83 31.23 1bal s LYS 31 CO 0.30 -2.96 2.04 0.41 0.51 0.00 0.00 175.35 175.66 1bal n GLY 32 N 6.41 4.00 2.14 -3.33 0.00 -1.26 -4.75 105.19 108.41 1bal n GLY 32 Ca 0.40 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 1bal n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bal n THR 33 N 5.15 3.06 -1.59 2.61 -2.24 -1.26 -3.34 114.28 116.67 1bal n THR 33 Ca 0.49 -2.26 -0.30 0.00 -2.27 0.00 0.00 64.05 59.71 1bal n THR 33 Cb 0.40 -1.39 0.07 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.06 1.64 0.07 3.38 0.00 -0.97 -4.79 107.32 106.59 1bal s GLY 34 Ca 0.44 -0.08 -0.37 0.00 0.00 0.00 0.00 44.72 44.70 1bal s GLY 34 CO -0.08 0.29 1.29 -0.62 0.00 0.00 0.00 173.10 173.98 1bal n VAL 35 N -3.26 0.00 -0.81 1.40 0.31 -1.26 0.62 118.33 115.33 1bal n VAL 35 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1bal n VAL 35 Cb 0.55 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 2.33 0.67 3.00 2.92 0.00 -1.26 -4.10 105.19 108.75 1bal n GLY 36 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.61 -1.01 3.13 -0.02 0.00 0.20 -5.04 105.19 99.84 1bal n GLY 37 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.79 0.62 0.54 1.61 0.52 -1.11 -4.88 118.95 112.47 1bal s ARG 38 Ca 0.26 -0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 54.56 1bal s ARG 38 Cb -0.03 0.25 -0.06 0.00 0.52 0.00 0.00 34.95 35.62 1bal s ARG 38 CO 0.66 -0.16 1.07 -1.17 0.02 0.00 0.00 175.30 175.72 1bal s LEU 39 N -2.13 3.69 0.00 2.53 2.96 -1.26 -2.30 118.68 122.17 1bal s LEU 39 Ca -0.05 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1bal s LEU 39 Cb -0.01 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.12 1bal s LEU 39 CO -0.05 -1.05 0.00 0.35 -1.32 0.00 0.00 176.35 174.29 1bal n THR 40 N -1.45 0.00 -0.25 3.68 -2.24 -1.26 -4.95 114.28 107.80 1bal n THR 40 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1bal n THR 40 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.13 0.01 -0.78 0.63 -1.26 -4.58 116.66 110.81 1bal n ARG 41 Ca 0.00 -0.63 0.11 0.00 -0.92 0.00 0.00 57.85 56.41 1bal n ARG 41 Cb 0.00 -0.87 -0.07 0.00 0.45 0.00 0.00 32.46 31.96 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -0.11 0.32 -0.09 -0.14 2.13 -1.26 -3.82 120.64 117.68 1bal n GLU 42 Ca 0.00 -0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.63 1bal n GLU 42 Cb 0.14 -1.55 -0.14 0.00 0.27 0.00 0.00 31.44 30.15 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bal n ASP 43 N -1.93 0.89 0.16 4.31 9.92 -1.26 -4.28 116.55 124.36 1bal n ASP 43 Ca 0.01 0.04 0.02 0.00 -0.53 0.00 0.00 54.79 54.32 1bal n ASP 43 Cb 0.45 0.27 0.22 0.00 -0.64 0.00 0.00 41.12 41.42 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bal h VAL 44 N 0.01 1.18 -0.12 2.53 2.07 -1.81 -3.22 116.25 116.89 1bal h VAL 44 Ca -0.51 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.07 1bal h VAL 44 Cb 2.09 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.96 1bal h VAL 44 CO 0.01 0.51 0.07 -0.33 0.02 0.00 0.00 177.57 177.85 1bal h GLU 45 N 0.00 0.16 -0.08 1.57 5.08 -1.74 -0.83 114.58 118.74 1bal h GLU 45 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1bal h GLU 45 Cb 1.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1bal h GLU 45 CO 0.07 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 1bal n LYS 46 N -4.98 0.53 -0.09 2.33 5.02 -1.21 -2.84 118.16 116.93 1bal n LYS 46 Ca -0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 1bal n LYS 46 Cb 0.05 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.40 0.00 -1.52 2.13 -0.00 -0.34 -4.91 115.22 110.19 1bal n HIS 47 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1bal n HIS 47 Cb 0.02 -0.63 -0.11 0.00 -0.12 0.00 0.00 29.99 29.15 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 -3.42 0.97 -4.74 0.27 4.77 -1.04 -4.86 117.00 108.95 1bal n LEU 48 Ca -0.32 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.11 1bal n LEU 48 Cb 0.77 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1bal n LEU 48 CO 0.08 -1.11 0.48 0.00 -1.33 0.00 0.00 177.39 175.51 1bal s ALA 49 N 9.92 3.34 -0.85 -1.18 0.00 -1.26 -4.93 121.76 126.79 1bal s ALA 49 Ca 1.21 0.29 0.25 0.00 0.00 0.00 0.00 51.96 53.71 1bal s ALA 49 Cb -0.83 -3.03 0.54 0.00 0.00 0.00 0.00 23.12 19.80 1bal s ALA 49 CO 0.40 0.01 1.45 1.63 0.00 0.00 0.00 175.76 179.25 1bal n LYS 50 N 3.03 0.12 0.00 0.00 5.02 -1.26 -5.24 118.16 119.83 1bal n LYS 50 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1bal n LYS 50 Cb 0.50 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88