#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 -0.79 0.00 -0.72 0.00 -1.26 -5.17 121.76 113.83 1bal s ALA 2 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1bal s ALA 2 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1bal s ALA 2 CO 0.00 -0.79 0.00 0.45 0.00 0.00 0.00 175.76 175.42 1bal n SER 3 N -0.33 1.02 0.00 0.00 2.88 -1.26 -5.16 113.62 110.77 1bal n SER 3 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1bal n SER 3 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1bal n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bal n LEU 4 N 0.00 0.00 -4.75 2.46 -0.00 -1.26 -5.00 117.00 108.45 1bal n LEU 4 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 1bal n LEU 4 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1bal n LEU 4 CO 0.00 0.00 -0.02 -1.61 -0.00 0.00 0.00 177.39 175.76 1bal s GLU 5 N 1.32 4.17 0.00 1.47 2.02 -1.26 -5.04 118.70 121.38 1bal s GLU 5 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1bal s GLU 5 Cb 0.00 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1bal s GLU 5 CO 0.00 0.31 0.00 -1.91 0.02 0.00 0.00 175.26 173.68 1bal n GLU 6 N 3.32 0.69 0.00 1.61 4.07 -1.26 -5.03 120.64 124.04 1bal n GLU 6 Ca -0.13 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.10 1bal n GLU 6 Cb 0.52 0.00 0.18 0.00 -0.06 0.00 0.00 31.44 32.08 1bal n GLU 6 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1bal n GLN 7 N 0.00 2.10 -3.66 5.31 7.27 -1.26 -4.90 117.38 122.24 1bal n GLN 7 Ca 0.00 -1.66 -0.11 0.00 0.07 0.00 0.00 57.00 55.30 1bal n GLN 7 Cb 0.00 -1.47 -0.08 0.00 2.41 0.00 0.00 30.24 31.11 1bal n GLN 7 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1bal s ASN 8 N -2.04 -0.74 0.00 1.69 4.22 -1.26 -5.12 114.94 111.69 1bal s ASN 8 Ca 0.29 1.32 0.00 0.00 -2.14 0.00 0.00 52.86 52.33 1bal s ASN 8 Cb 0.20 1.27 0.00 0.00 1.28 0.00 0.00 41.25 44.00 1bal s ASN 8 CO 0.33 -0.22 0.00 0.59 -2.04 0.00 0.00 177.10 175.75 1bal n ASN 9 N 3.45 0.00 -4.39 3.54 4.13 -1.26 -5.07 115.26 115.65 1bal n ASN 9 Ca -0.17 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.67 1bal n ASN 9 Cb 0.57 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.70 1bal n ASN 9 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bal s ASP 10 N 1.92 5.88 0.00 6.41 -1.08 -1.26 -4.89 116.67 123.64 1bal s ASP 10 Ca 0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1bal s ASP 10 Cb 0.00 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1bal s ASP 10 CO 0.00 -0.44 0.00 0.00 0.52 0.00 0.00 175.17 175.25 1bal n ALA 11 N 5.06 1.01 -2.16 3.66 0.00 -1.26 -5.14 120.51 121.67 1bal n ALA 11 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 11 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.32 3.49 -0.43 0.00 1.43 -1.26 -5.07 118.68 116.52 1bal s LEU 12 Ca 0.00 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1bal s LEU 12 Cb 0.00 -3.02 0.10 0.00 0.03 0.00 0.00 46.19 43.30 1bal s LEU 12 CO 0.00 -0.89 0.27 -0.94 0.23 0.00 0.00 176.35 175.01 1bal s SER 13 N -4.31 5.54 0.00 2.29 1.04 -1.26 -4.93 113.70 112.07 1bal s SER 13 Ca 0.52 -1.79 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1bal s SER 13 Cb -0.10 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1bal s SER 13 CO 0.38 -0.59 0.88 -2.65 0.98 0.00 0.00 173.24 172.24 1bal n PRO 14 N 4.82 0.00 -0.52 4.02 -0.02 -1.26 0.27 135.00 142.31 1bal n PRO 14 Ca -0.07 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1bal n PRO 14 Cb 0.42 -1.52 0.34 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.38 2.83 0.27 3.55 0.00 -1.26 -4.40 120.51 120.13 1bal n ALA 15 Ca 0.00 -1.51 0.11 0.00 0.00 0.00 0.00 53.44 52.04 1bal n ALA 15 Cb 0.02 -0.96 0.74 0.00 0.00 0.00 0.00 19.45 19.25 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 4.03 0.79 0.03 0.00 2.10 -0.60 0.25 117.51 124.11 1bal h ILE 16 Ca 0.00 -0.14 -0.22 0.00 1.08 0.00 0.00 64.86 65.58 1bal h ILE 16 Cb 1.29 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 1bal h ILE 16 CO 0.15 0.04 -0.98 0.03 -1.08 0.00 0.00 178.15 176.31 1bal h ARG 17 N 0.00 0.22 -0.01 2.19 3.08 -1.81 -3.18 114.38 114.86 1bal h ARG 17 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1bal h ARG 17 Cb 0.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1bal h ARG 17 CO 0.00 1.04 -0.23 0.54 -1.07 0.00 0.00 179.97 180.26 1bal n ARG 18 N -3.60 1.20 0.08 0.04 5.12 -0.60 -4.24 116.66 114.67 1bal n ARG 18 Ca -0.05 -0.81 -0.13 0.00 -1.93 0.00 0.00 57.85 54.94 1bal n ARG 18 Cb 0.88 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 30.62 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 1.97 -0.12 -1.71 0.55 5.85 -0.53 0.37 115.31 121.69 1bal h LEU 19 Ca 0.00 -0.06 0.22 0.00 0.84 0.00 0.00 57.88 58.88 1bal h LEU 19 Cb 0.59 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1bal h LEU 19 CO 0.00 -0.02 0.60 -0.07 -0.34 0.00 0.00 178.44 178.61 1bal h LEU 20 N -0.21 0.24 0.00 2.25 3.38 -1.74 0.61 115.31 119.84 1bal h LEU 20 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bal h LEU 20 Cb 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1bal h LEU 20 CO 0.02 0.09 -0.75 0.00 0.09 0.00 0.00 178.44 177.89 1bal h ALA 21 N 1.60 0.57 -0.19 1.53 0.00 -1.62 -0.55 119.26 120.60 1bal h ALA 21 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 1bal h ALA 21 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1bal h ALA 21 CO -0.11 0.00 -0.44 1.49 0.00 0.00 0.00 179.25 180.19 1bal h GLU 22 N 0.00 0.64 -0.18 0.00 4.57 0.44 -3.23 114.58 116.83 1bal h GLU 22 Ca 0.00 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1bal h GLU 22 Cb 0.88 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1bal h GLU 22 CO 0.00 1.05 0.00 0.72 -1.18 0.00 0.00 179.01 179.60 1bal n HIS 23 N -4.21 0.21 -3.18 0.92 8.25 -0.71 -5.01 115.22 111.49 1bal n HIS 23 Ca -0.06 -0.13 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 1bal n HIS 23 Cb 0.56 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 1.12 -7.15 -3.88 0.41 4.05 -0.74 -5.02 115.26 104.05 1bal n ASN 24 Ca 0.14 -0.13 -0.12 0.00 0.45 0.00 0.00 54.58 54.92 1bal n ASN 24 Cb 0.50 -4.43 -0.13 0.00 1.23 0.00 0.00 39.78 36.95 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 -3.82 1.92 -0.22 1.20 1.43 -0.29 -5.03 118.68 113.87 1bal s LEU 25 Ca 0.07 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 1bal s LEU 25 Cb -0.02 0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.32 1bal s LEU 25 CO 0.79 -0.07 0.57 -1.81 0.23 0.00 0.00 176.35 176.05 1bal s ASP 26 N -0.28 6.58 0.44 2.29 1.01 -1.26 -4.75 116.67 120.70 1bal s ASP 26 Ca -0.03 0.70 0.28 0.00 0.71 0.00 0.00 52.55 54.21 1bal s ASP 26 Cb -0.02 -2.31 0.95 0.00 1.01 0.00 0.00 42.92 42.54 1bal s ASP 26 CO -0.00 -0.26 1.81 0.00 0.21 0.00 0.00 175.17 176.93 1bal h ALA 27 N 7.65 1.00 -1.24 5.23 0.00 -1.96 -3.15 119.26 126.80 1bal h ALA 27 Ca -0.31 0.00 0.36 0.00 0.00 0.00 0.00 54.91 54.96 1bal h ALA 27 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1bal h ALA 27 CO 0.75 0.00 0.89 0.66 0.00 0.00 0.00 179.25 181.55 1bal h SER 28 N 0.00 0.02 0.98 0.00 4.64 -2.01 1.19 113.55 118.38 1bal h SER 28 Ca 0.00 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1bal h SER 28 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1bal h SER 28 CO 0.00 0.00 -1.08 0.00 -0.87 0.00 0.00 176.83 174.88 1bal h ALA 29 N 1.39 0.65 -2.37 5.18 0.00 -1.98 -3.44 119.26 118.70 1bal h ALA 29 Ca 0.59 -0.63 -0.63 0.00 0.00 0.00 0.00 54.91 54.24 1bal h ALA 29 Cb 2.34 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 20.13 1bal h ALA 29 CO -0.02 0.72 0.09 0.42 0.00 0.00 0.00 179.25 180.46 1bal s ILE 30 N -2.98 4.93 0.73 0.00 -1.09 0.41 -5.04 121.20 118.15 1bal s ILE 30 Ca -0.00 0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 58.84 1bal s ILE 30 Cb 0.08 -4.04 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1bal s ILE 30 CO 0.79 -0.26 1.16 -0.54 -1.23 0.00 0.00 174.94 174.86 1bal s LYS 31 N 2.61 2.23 -0.34 2.79 -0.14 -1.26 -4.88 119.74 120.75 1bal s LYS 31 Ca 0.23 1.59 0.16 0.00 -1.36 0.00 0.00 55.97 56.59 1bal s LYS 31 Cb -0.15 -1.86 0.44 0.00 -1.68 0.00 0.00 37.83 34.58 1bal s LYS 31 CO 0.14 -1.73 0.92 0.41 -0.76 0.00 0.00 175.35 174.33 1bal n GLY 32 N -0.01 2.27 0.49 -3.33 0.00 -1.26 -4.83 105.19 98.52 1bal n GLY 32 Ca 0.12 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 1bal n GLY 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bal h THR 33 N 2.63 0.01 -0.20 2.61 1.35 -1.94 0.19 112.91 117.55 1bal h THR 33 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1bal h THR 33 Cb 1.11 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1bal h THR 33 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1bal n GLY 34 N -1.51 0.60 2.40 5.82 0.00 -1.21 -1.11 105.19 110.19 1bal n GLY 34 Ca -0.09 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1bal n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bal n VAL 35 N 0.00 3.97 -0.53 1.61 0.31 -1.26 -4.46 118.33 117.97 1bal n VAL 35 Ca 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 64.34 61.85 1bal n VAL 35 Cb 0.00 -2.56 0.00 0.00 -0.91 0.00 0.00 33.84 30.37 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 3.67 -0.92 3.78 2.92 0.00 -0.95 -4.75 105.19 108.95 1bal n GLY 36 Ca 0.71 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.03 -1.11 2.62 -0.02 0.00 -0.26 -4.96 105.19 101.43 1bal n GLY 37 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 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 -5.67 0.18 0.14 1.61 3.00 0.65 -4.98 118.95 113.87 1bal s ARG 38 Ca 0.23 -0.25 -0.31 0.00 -1.00 0.00 0.00 55.73 54.41 1bal s ARG 38 Cb -0.11 -1.27 -0.10 0.00 0.00 0.00 0.00 34.95 33.47 1bal s ARG 38 CO 0.90 -0.88 1.73 -1.17 0.00 0.00 0.00 175.30 175.88 1bal s LEU 39 N 2.18 4.38 0.00 -0.88 2.96 -1.22 -3.34 118.68 122.77 1bal s LEU 39 Ca 0.07 2.71 0.02 0.00 -0.22 0.00 0.00 54.13 56.72 1bal s LEU 39 Cb -0.16 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.99 1bal s LEU 39 CO -0.25 -0.95 0.27 0.35 -1.32 0.00 0.00 176.35 174.45 1bal n THR 40 N 4.43 0.00 -0.05 3.68 -2.24 -1.26 -5.03 114.28 113.81 1bal n THR 40 Ca 0.16 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1bal n THR 40 Cb 0.38 -0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 67.52 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 -1.45 0.67 -0.00 -0.78 0.63 -1.26 -4.14 116.66 110.34 1bal n ARG 41 Ca 0.05 -0.08 0.14 0.00 -0.92 0.00 0.00 57.85 57.04 1bal n ARG 41 Cb 0.19 -1.54 0.82 0.00 0.45 0.00 0.00 32.46 32.39 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N -2.53 1.05 -0.08 -0.14 -0.58 -1.26 -2.00 120.64 115.10 1bal n GLU 42 Ca -0.19 -0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.35 1bal n GLU 42 Cb 0.88 -1.45 -0.14 0.00 -0.57 0.00 0.00 31.44 30.15 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N -0.86 0.89 -0.04 1.62 9.92 -1.26 -4.11 116.55 122.72 1bal n ASP 43 Ca 0.21 0.07 -0.19 0.00 -0.53 0.00 0.00 54.79 54.36 1bal n ASP 43 Cb 0.12 0.24 -0.13 0.00 -0.64 0.00 0.00 41.12 40.70 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bal n VAL 44 N -3.01 1.67 -0.23 2.53 0.31 -1.21 -4.27 118.33 114.12 1bal n VAL 44 Ca -0.33 -0.65 0.01 0.00 -0.01 0.00 0.00 64.34 63.36 1bal n VAL 44 Cb 1.08 -1.54 0.12 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.04 0.52 -1.07 5.55 4.81 -1.63 0.96 114.58 123.76 1bal h GLU 45 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1bal h GLU 45 Cb 2.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1bal h GLU 45 CO 0.04 0.34 0.00 1.17 -0.73 0.00 0.00 179.01 179.83 1bal n LYS 46 N -4.90 0.91 0.00 1.92 3.00 -1.26 -2.68 118.16 115.15 1bal n LYS 46 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1bal n LYS 46 Cb 0.26 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1bal n HIS 47 N 0.50 0.00 -0.51 5.64 -0.00 0.32 -4.87 115.22 116.29 1bal n HIS 47 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1bal n HIS 47 Cb 0.44 0.01 -0.01 0.00 -0.12 0.00 0.00 29.99 30.31 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 5.17 0.00 0.27 4.77 -1.09 -4.90 117.00 121.21 1bal n LEU 48 Ca 0.00 -2.38 -0.13 0.00 -0.03 0.00 0.00 56.01 53.47 1bal n LEU 48 Cb 0.34 -1.11 0.12 0.00 -2.33 0.00 0.00 43.42 40.45 1bal n LEU 48 CO 0.00 1.02 0.15 0.00 -1.33 0.00 0.00 177.39 177.22 1bal n ALA 49 N 1.58 -2.23 -1.98 -1.18 0.00 -1.26 -5.04 120.51 110.39 1bal n ALA 49 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1bal n ALA 49 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1bal n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1bal n LYS 50 N -2.88 3.66 0.00 0.00 3.00 -1.26 -5.24 118.16 115.44 1bal n LYS 50 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1bal n LYS 50 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.28 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40