#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 3.36 0.00 -0.72 0.00 -1.26 -4.87 121.76 118.26 1bal s ALA 2 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1bal s ALA 2 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1bal s ALA 2 CO 0.00 -2.27 0.00 0.43 0.00 0.00 0.00 175.76 173.92 1bal n SER 3 N 6.49 0.00 -4.67 0.00 7.64 -1.26 -5.07 113.62 116.74 1bal n SER 3 Ca -0.07 0.00 -0.60 0.00 1.01 0.00 0.00 58.87 59.20 1bal n SER 3 Cb 0.44 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.56 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 1.91 -4.51 -3.43 4.77 -1.26 -4.59 117.00 109.89 1bal n LEU 4 Ca 0.00 1.04 -0.26 0.00 -0.03 0.00 0.00 56.01 56.75 1bal n LEU 4 Cb 0.00 -1.05 -0.17 0.00 -2.33 0.00 0.00 43.42 39.87 1bal n LEU 4 CO 0.00 -0.59 1.97 -0.62 -1.33 0.00 0.00 177.39 176.82 1bal n GLU 5 N 5.33 0.19 -0.43 3.23 4.71 -1.26 -4.65 120.64 127.75 1bal n GLU 5 Ca 0.31 -0.15 0.08 0.00 -0.01 0.00 0.00 57.16 57.39 1bal n GLU 5 Cb 0.07 -1.81 0.28 0.00 -1.01 0.00 0.00 31.44 28.97 1bal n GLU 5 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1bal n GLU 6 N 7.12 2.91 -0.56 3.49 0.28 -1.26 -4.86 120.64 127.76 1bal n GLU 6 Ca 0.61 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 55.38 1bal n GLU 6 Cb 0.20 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.41 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bal n GLN 7 N 0.99 1.00 0.28 3.44 6.02 -1.26 -4.93 117.38 122.91 1bal n GLN 7 Ca 0.20 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.38 1bal n GLN 7 Cb 0.66 0.00 0.95 0.00 1.02 0.00 0.00 30.24 32.86 1bal n GLN 7 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1bal h ASN 8 N 0.00 0.00 -1.90 1.08 -0.26 -2.03 -3.43 115.58 109.04 1bal h ASN 8 Ca 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 55.35 1bal h ASN 8 Cb 0.00 0.00 0.21 0.00 -1.06 0.00 0.00 38.32 37.47 1bal h ASN 8 CO 0.00 0.00 -1.21 -3.20 -1.06 0.00 0.00 177.43 171.96 1bal n ASN 9 N -2.87 -2.65 0.00 5.81 4.05 -1.26 -5.02 115.26 113.32 1bal n ASN 9 Ca -0.02 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.85 1bal n ASN 9 Cb 0.12 -0.80 0.00 0.00 1.23 0.00 0.00 39.78 40.34 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1bal n ASP 10 N -0.37 2.41 -1.78 1.20 8.00 -1.26 -4.99 116.55 119.76 1bal n ASP 10 Ca 0.01 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.59 1bal n ASP 10 Cb 0.57 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.06 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 3.72 -2.80 2.24 0.00 -1.26 -4.96 120.51 114.45 1bal n ALA 11 Ca 0.00 -1.91 -0.23 0.00 0.00 0.00 0.00 53.44 51.30 1bal n ALA 11 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1bal n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bal s LEU 12 N -2.64 4.16 -0.26 0.00 1.43 -1.26 -5.05 118.68 115.06 1bal s LEU 12 Ca 0.53 0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.63 1bal s LEU 12 Cb 0.40 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1bal s LEU 12 CO 0.17 -0.17 1.12 -0.55 0.23 0.00 0.00 176.35 177.15 1bal s SER 13 N -3.90 6.96 0.00 2.29 0.15 -1.26 -4.87 113.70 113.07 1bal s SER 13 Ca 0.37 1.29 0.01 0.00 0.70 0.00 0.00 55.95 58.33 1bal s SER 13 Cb -0.10 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1bal s SER 13 CO 0.32 -0.81 0.75 -2.65 1.20 0.00 0.00 173.24 172.05 1bal n PRO 14 N 6.68 0.02 0.00 5.44 -0.02 -1.26 -0.24 135.00 145.62 1bal n PRO 14 Ca 0.13 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1bal n PRO 14 Cb 0.46 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.78 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -1.21 2.65 1.50 3.55 0.00 -1.26 -3.86 120.51 121.88 1bal n ALA 15 Ca 0.01 -0.53 0.10 0.00 0.00 0.00 0.00 53.44 53.01 1bal n ALA 15 Cb 0.01 -1.02 0.44 0.00 0.00 0.00 0.00 19.45 18.87 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N 0.45 0.13 -0.05 0.00 3.06 0.66 -3.61 119.36 120.00 1bal n ILE 16 Ca 0.16 -0.22 -0.04 0.00 -2.50 0.00 0.00 62.75 60.15 1bal n ILE 16 Cb 0.44 0.14 -0.01 0.00 0.54 0.00 0.00 39.64 40.75 1bal n ILE 16 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bal n ARG 17 N -0.07 0.31 0.00 9.51 1.74 -1.25 -4.23 116.66 122.67 1bal n ARG 17 Ca 0.15 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1bal n ARG 17 Cb 0.24 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 -3.79 0.73 -0.03 5.56 1.74 -1.26 -3.73 116.66 115.88 1bal n ARG 18 Ca -0.06 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1bal n ARG 18 Cb 0.23 -1.19 -0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.14 -0.01 0.00 0.55 5.85 -1.73 -2.49 115.31 117.62 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 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1bal h LEU 19 CO 0.00 0.34 0.10 0.18 -0.34 0.00 0.00 178.44 178.71 1bal n LEU 20 N -3.91 0.00 -0.01 2.25 4.77 -1.24 0.44 117.00 119.30 1bal n LEU 20 Ca -0.00 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.31 1bal n LEU 20 Cb 0.00 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 1bal n LEU 20 CO 0.00 -0.25 -0.72 0.00 -1.33 0.00 0.00 177.39 175.09 1bal n ALA 21 N -1.21 2.57 0.03 -1.18 0.00 -1.23 -2.95 120.51 116.54 1bal n ALA 21 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1bal n ALA 21 Cb 0.10 -0.55 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 0.29 0.00 0.00 4.57 0.47 -3.39 114.58 116.53 1bal h GLU 22 Ca -0.02 -0.50 -0.26 0.00 -1.18 0.00 0.00 59.36 57.39 1bal h GLU 22 Cb 0.84 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.57 1bal h GLU 22 CO 0.00 1.24 -2.26 0.72 -1.18 0.00 0.00 179.01 177.53 1bal n HIS 23 N -3.80 0.00 -2.67 0.92 8.25 -0.92 -5.06 115.22 111.95 1bal n HIS 23 Ca -0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.14 1bal n HIS 23 Cb 0.96 -0.85 0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.60 -7.21 -4.51 0.41 2.85 -1.15 -5.02 115.26 98.02 1bal n ASN 24 Ca -0.24 0.53 -0.33 0.00 -0.11 0.00 0.00 54.58 54.43 1bal n ASN 24 Cb 0.98 -4.84 -0.12 0.00 1.24 0.00 0.00 39.78 37.04 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bal s LEU 25 N -2.33 2.94 -0.88 1.20 1.43 -1.26 -5.06 118.68 114.73 1bal s LEU 25 Ca 0.20 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 1bal s LEU 25 Cb -0.06 -1.63 0.19 0.00 0.03 0.00 0.00 46.19 44.72 1bal s LEU 25 CO 0.67 0.32 0.91 -1.81 0.23 0.00 0.00 176.35 176.67 1bal s ASP 26 N -0.54 6.75 0.39 2.29 1.01 -1.26 -4.85 116.67 120.46 1bal s ASP 26 Ca 0.08 -2.52 0.11 0.00 0.71 0.00 0.00 52.55 50.92 1bal s ASP 26 Cb -0.12 -2.28 0.59 0.00 1.01 0.00 0.00 42.92 42.13 1bal s ASP 26 CO 0.02 -0.72 1.21 0.00 0.21 0.00 0.00 175.17 175.88 1bal h ALA 27 N 8.07 1.35 -1.31 5.23 0.00 -1.97 -0.77 119.26 129.85 1bal h ALA 27 Ca 0.13 0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.42 1bal h ALA 27 Cb 1.03 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1bal h ALA 27 CO 0.89 -0.35 0.92 0.77 0.00 0.00 0.00 179.25 181.47 1bal h SER 28 N 0.00 0.10 0.53 0.00 0.02 -2.05 0.82 113.55 112.97 1bal h SER 28 Ca 0.00 0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.69 1bal h SER 28 Cb 0.95 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 1bal h SER 28 CO 0.00 -0.01 -1.60 0.00 -1.14 0.00 0.00 176.83 174.08 1bal h ALA 29 N 1.40 0.61 -2.41 3.77 0.00 -1.56 -3.46 119.26 117.60 1bal h ALA 29 Ca 0.66 -1.33 -0.48 0.00 0.00 0.00 0.00 54.91 53.76 1bal h ALA 29 Cb 2.43 0.39 0.07 0.00 0.00 0.00 0.00 17.79 20.68 1bal h ALA 29 CO -0.10 1.45 0.32 0.42 0.00 0.00 0.00 179.25 181.34 1bal s ILE 30 N -2.61 3.15 -0.02 0.00 -1.09 0.28 -5.09 121.20 115.82 1bal s ILE 30 Ca -0.06 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.49 1bal s ILE 30 Cb 0.08 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1bal s ILE 30 CO 0.82 -0.40 0.07 -1.59 -1.23 0.00 0.00 174.94 172.61 1bal s LYS 31 N -5.26 0.11 0.56 2.79 0.00 -1.26 -4.90 119.74 111.78 1bal s LYS 31 Ca 0.58 0.03 0.04 0.00 0.00 0.00 0.00 55.97 56.63 1bal s LYS 31 Cb -0.11 0.05 0.06 0.00 0.00 0.00 0.00 37.83 37.83 1bal s LYS 31 CO 0.48 -0.02 0.78 0.20 0.00 0.00 0.00 175.35 176.79 1bal s GLY 32 N -0.11 1.82 0.00 0.59 0.00 -1.26 -5.00 107.32 103.36 1bal s GLY 32 Ca -0.02 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1bal s GLY 32 CO 0.00 -1.33 0.34 -1.30 0.00 0.00 0.00 173.10 170.81 1bal n THR 33 N -2.31 0.04 -0.05 0.90 -2.24 -1.26 -4.70 114.28 104.67 1bal n THR 33 Ca 0.11 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1bal n THR 33 Cb 0.60 1.33 0.03 0.00 -2.10 0.00 0.00 70.33 70.19 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 -0.02 -2.57 3.55 3.38 0.00 -1.10 -4.65 105.19 103.79 1bal n GLY 34 Ca 0.00 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N -0.86 3.49 0.00 1.61 1.01 -1.26 -2.68 120.40 121.71 1bal s VAL 35 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1bal s VAL 35 Cb -0.01 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1bal s VAL 35 CO 0.05 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.59 1bal n GLY 36 N 6.01 1.18 3.43 4.51 0.00 -1.26 -4.43 105.19 114.63 1bal n GLY 36 Ca 0.23 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.33 -0.44 3.56 -0.02 0.00 -1.09 -4.96 105.19 101.90 1bal n GLY 37 Ca 0.00 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.30 3.65 0.49 1.61 0.52 -1.25 -4.79 118.95 113.89 1bal s ARG 38 Ca 0.05 -0.34 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 1bal s ARG 38 Cb -0.01 -3.77 -0.08 0.00 0.52 0.00 0.00 34.95 31.61 1bal s ARG 38 CO 0.74 -0.47 1.08 -1.17 0.02 0.00 0.00 175.30 175.50 1bal s LEU 39 N 2.01 3.86 0.00 2.53 2.96 -1.26 -2.70 118.68 126.09 1bal s LEU 39 Ca 0.12 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1bal s LEU 39 Cb -0.16 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1bal s LEU 39 CO 0.11 -0.90 0.00 0.35 -1.32 0.00 0.00 176.35 174.60 1bal n THR 40 N -0.92 0.00 -0.13 3.68 -2.24 -1.26 -5.01 114.28 108.41 1bal n THR 40 Ca 0.09 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.61 1bal n THR 40 Cb 0.51 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.59 0.00 -0.78 0.63 -1.26 -3.84 116.66 112.00 1bal n ARG 41 Ca 0.00 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1bal n ARG 41 Cb 0.00 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.34 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 -4.23 0.00 -0.11 -0.14 -0.00 -1.26 -0.22 120.64 114.68 1bal n GLU 42 Ca -0.47 0.29 -0.19 0.00 -0.00 0.00 0.00 57.16 56.79 1bal n GLU 42 Cb 0.84 -1.64 -0.08 0.00 -0.00 0.00 0.00 31.44 30.56 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 -1.27 1.90 -0.10 -1.84 8.00 -1.26 -4.31 116.55 117.68 1bal n ASP 43 Ca 0.00 0.41 -0.14 0.00 0.71 0.00 0.00 54.79 55.77 1bal n ASP 43 Cb 0.14 -0.86 -0.04 0.00 -0.02 0.00 0.00 41.12 40.35 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bal h VAL 44 N -1.00 1.28 -1.06 2.53 2.07 -1.39 -3.08 116.25 115.61 1bal h VAL 44 Ca -0.35 -1.61 0.33 0.00 0.82 0.00 0.00 66.70 65.89 1bal h VAL 44 Cb 1.22 1.54 -0.14 0.00 -1.52 0.00 0.00 31.29 32.40 1bal h VAL 44 CO -0.21 0.53 0.63 -0.08 0.02 0.00 0.00 177.57 178.45 1bal h GLU 45 N 0.64 0.29 -1.99 1.57 4.22 -0.83 0.14 114.58 118.63 1bal h GLU 45 Ca 0.04 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.34 1bal h GLU 45 Cb 1.03 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1bal h GLU 45 CO 0.10 0.19 -0.18 1.63 -2.18 0.00 0.00 179.01 178.57 1bal n LYS 46 N -4.94 1.59 -0.25 1.92 4.76 -1.16 -3.18 118.16 116.89 1bal n LYS 46 Ca 0.32 -0.63 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1bal n LYS 46 Cb 1.04 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1bal n HIS 47 N 1.98 0.00 -0.06 2.13 -0.00 0.50 -4.97 115.22 114.80 1bal n HIS 47 Ca 0.25 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.37 1bal n HIS 47 Cb 0.72 0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 30.68 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 0.00 1.33 -3.40 0.27 4.77 -1.19 -4.95 117.00 113.83 1bal n LEU 48 Ca 0.00 0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1bal n LEU 48 Cb 0.54 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1bal n LEU 48 CO 0.00 -0.36 -0.19 0.00 -1.33 0.00 0.00 177.39 175.51 1bal s ALA 49 N -2.92 -0.19 0.00 -1.18 0.00 -1.26 -4.94 121.76 111.26 1bal s ALA 49 Ca -0.19 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1bal s ALA 49 Cb 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1bal s ALA 49 CO 0.28 -1.97 0.50 1.63 0.00 0.00 0.00 175.76 176.19 1bal n LYS 50 N 4.61 0.36 0.00 0.00 4.76 -1.26 -5.12 118.16 121.52 1bal n LYS 50 Ca 0.06 -0.56 0.00 0.00 -2.87 0.00 0.00 58.31 54.94 1bal n LYS 50 Cb 0.44 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03