#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h34 s PRO 17 N 0.00 3.48 0.17 1.64 0.02 -1.26 -4.20 135.00 134.85 1h34 s PRO 17 Ca 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 61.00 60.97 1h34 s PRO 17 Cb 0.00 -3.97 0.00 0.00 0.02 0.00 0.00 34.50 30.55 1h34 s PRO 17 CO 0.00 -1.34 0.36 0.00 -0.33 0.00 0.00 177.00 175.68 1h34 n ASP 20 N 4.20 0.82 -3.85 0.00 8.00 -1.26 -3.79 116.55 120.67 1h34 n ASP 20 Ca -0.24 0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1h34 n ASP 20 Cb 0.55 0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.50 1h34 n ASP 20 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1h34 s HIS 21 N -2.61 1.78 -0.14 1.24 2.46 -1.26 -4.95 115.29 111.81 1h34 s HIS 21 Ca -0.05 -1.33 -0.05 0.00 0.47 0.00 0.00 55.06 54.10 1h34 s HIS 21 Cb 0.08 -1.33 -0.03 0.00 -0.13 0.00 0.00 32.58 31.16 1h34 s HIS 21 CO 0.82 -0.69 0.02 0.00 -2.47 0.00 0.00 174.74 172.42 1h34 s SER 23 N -0.14 4.72 0.00 0.00 0.01 -0.19 -4.97 113.70 113.14 1h34 s SER 23 Ca 0.05 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.18 1h34 s SER 23 Cb -0.12 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 1h34 s SER 23 CO 0.02 0.12 -0.17 0.00 0.41 0.00 0.00 173.24 173.62 1h34 s THR 25 N -0.51 2.61 -0.32 0.00 -4.23 0.71 -4.90 115.64 109.00 1h34 s THR 25 Ca 0.06 0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1h34 s THR 25 Cb -0.07 -2.78 0.74 0.00 1.34 0.00 0.00 72.50 71.72 1h34 s THR 25 CO -0.00 -0.26 1.71 0.29 -0.54 0.00 0.00 174.62 175.82 1h34 n LYS 26 N -3.79 4.10 -3.20 3.99 5.02 -1.26 -4.32 118.16 118.69 1h34 n LYS 26 Ca 0.07 -2.91 -0.21 0.00 -2.02 0.00 0.00 58.31 53.24 1h34 n LYS 26 Cb 0.56 -2.19 0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1h34 n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1h34 n SER 27 N 0.22 2.26 -4.12 4.39 3.41 -1.26 -5.04 113.62 113.48 1h34 n SER 27 Ca 0.33 -2.57 -0.32 0.00 -0.26 0.00 0.00 58.87 56.05 1h34 n SER 27 Cb 1.24 -0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 64.79 1h34 n SER 27 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1h34 s ILE 28 N -2.42 1.92 0.57 -1.33 -1.09 -1.26 -2.58 121.20 115.02 1h34 s ILE 28 Ca 0.44 -0.87 -0.17 0.00 -2.23 0.00 0.00 60.65 57.81 1h34 s ILE 28 Cb -0.03 -1.73 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1h34 s ILE 28 CO 0.28 0.52 1.07 -2.16 -1.23 0.00 0.00 174.94 173.42 1h34 s PRO 29 N 1.11 3.34 0.55 2.79 0.04 -1.26 -5.09 135.00 136.48 1h34 s PRO 29 Ca -0.01 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1h34 s PRO 29 Cb -0.14 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1h34 s PRO 29 CO -0.07 -0.81 1.09 -1.25 0.04 0.00 0.00 177.00 176.00 1h34 s PRO 30 N -3.78 3.38 -0.26 0.56 0.04 -1.06 -5.01 135.00 128.86 1h34 s PRO 30 Ca 0.66 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 1h34 s PRO 30 Cb -0.18 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1h34 s PRO 30 CO 0.32 -0.80 -0.01 -0.65 0.04 0.00 0.00 177.00 175.91 1h34 s GLN 31 N -3.50 2.94 -0.02 4.56 -0.21 -1.26 -4.14 119.66 118.03 1h34 s GLN 31 Ca 0.69 -0.92 0.08 0.00 0.02 0.00 0.00 55.36 55.23 1h34 s GLN 31 Cb -0.20 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 1h34 s GLN 31 CO 0.29 -0.41 -0.25 0.00 -2.12 0.00 0.00 175.29 172.79 1h34 s ARG 33 N -0.63 0.84 -0.18 0.00 1.70 0.48 -0.36 118.95 120.80 1h34 s ARG 33 Ca 0.10 -1.29 -0.19 0.00 -0.47 0.00 0.00 55.73 53.88 1h34 s ARG 33 Cb -0.10 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 33.95 1h34 s ARG 33 CO -0.01 0.01 0.54 0.00 -1.08 0.00 0.00 175.30 174.76 1h34 n THR 35 N 4.37 0.26 -1.69 0.00 -2.24 -0.60 -4.62 114.28 109.77 1h34 n THR 35 Ca -0.04 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1h34 n THR 35 Cb 0.51 0.63 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 1h34 n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1h34 n ASP 36 N 0.71 2.45 -4.54 3.42 8.00 -1.26 -4.99 116.55 120.34 1h34 n ASP 36 Ca 0.17 1.13 -0.37 0.00 0.71 0.00 0.00 54.79 56.43 1h34 n ASP 36 Cb 0.43 -1.48 -0.11 0.00 -0.02 0.00 0.00 41.12 39.94 1h34 n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h34 s LEU 37 N -1.35 3.79 0.20 0.64 1.43 -1.26 -4.39 118.68 117.74 1h34 s LEU 37 Ca 0.60 -0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.74 1h34 s LEU 37 Cb -0.53 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1h34 s LEU 37 CO 0.59 -0.02 -0.23 -0.13 0.23 0.00 0.00 176.35 176.79 1h34 s ARG 38 N 1.55 1.53 0.19 1.70 0.52 0.78 -4.86 118.95 120.35 1h34 s ARG 38 Ca 0.06 -1.56 -0.28 0.00 -0.52 0.00 0.00 55.73 53.44 1h34 s ARG 38 Cb -0.15 -1.80 -0.08 0.00 0.52 0.00 0.00 34.95 33.43 1h34 s ARG 38 CO 0.07 0.38 0.87 -0.51 0.02 0.00 0.00 175.30 176.13 1h34 s LEU 39 N -2.79 4.61 0.00 2.53 1.43 -1.26 -0.46 118.68 122.73 1h34 s LEU 39 Ca 0.22 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1h34 s LEU 39 Cb -0.07 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1h34 s LEU 39 CO 0.10 0.16 0.00 0.47 0.23 0.00 0.00 176.35 177.31 1h34 n ASP 40 N 1.67 0.00 -3.53 2.29 10.43 0.99 -4.81 116.55 123.59 1h34 n ASP 40 Ca -0.03 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.25 1h34 n ASP 40 Cb 0.48 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.42 1h34 n ASP 40 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1h34 s SER 41 N 0.00 -0.35 0.79 -2.24 1.04 -1.26 -4.79 113.70 106.89 1h34 s SER 41 Ca 0.00 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 1h34 s SER 41 Cb 0.00 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1h34 s SER 41 CO 0.00 -0.67 1.15 0.00 0.98 0.00 0.00 173.24 174.70 1h34 n HIS 43 N -3.27 -1.02 0.30 0.00 1.44 -1.26 -4.75 115.22 106.66 1h34 n HIS 43 Ca 0.08 -0.04 0.19 0.00 -2.01 0.00 0.00 57.72 55.94 1h34 n HIS 43 Cb 0.60 -1.72 0.91 0.00 0.12 0.00 0.00 29.99 29.89 1h34 n HIS 43 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1h34 h SER 44 N -2.49 0.00 -0.42 4.39 4.64 -1.97 -2.45 113.55 115.24 1h34 h SER 44 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1h34 h SER 44 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1h34 h SER 44 CO 0.46 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 1h34 n ALA 45 N -2.12 2.44 -2.41 5.18 0.00 -1.26 -4.90 120.51 117.44 1h34 n ALA 45 Ca -0.01 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.11 1h34 n ALA 45 Cb 0.20 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 1h34 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h34 n LYS 47 N 3.27 0.68 -3.94 0.00 5.02 -1.26 -4.71 118.16 117.22 1h34 n LYS 47 Ca 0.05 0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 56.16 1h34 n LYS 47 Cb 0.49 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1h34 n LYS 47 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h34 s SER 48 N -6.23 4.88 -0.26 4.39 0.15 -1.26 -5.07 113.70 110.29 1h34 s SER 48 Ca -0.20 -2.22 -0.06 0.00 0.70 0.00 0.00 55.95 54.17 1h34 s SER 48 Cb 0.07 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1h34 s SER 48 CO 0.74 -0.41 0.05 0.00 1.20 0.00 0.00 173.24 174.82 1h34 s ILE 50 N 1.53 3.20 0.03 0.00 -4.36 -0.01 -4.94 121.20 116.66 1h34 s ILE 50 Ca 0.04 -1.17 -0.03 0.00 -0.26 0.00 0.00 60.65 59.24 1h34 s ILE 50 Cb -0.16 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 1h34 s ILE 50 CO 0.02 0.23 0.03 0.00 0.24 0.00 0.00 174.94 175.46 1h34 s THR 52 N -2.48 3.47 -1.37 0.00 -4.23 -0.26 -4.93 115.64 105.83 1h34 s THR 52 Ca -0.06 0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 61.10 1h34 s THR 52 Cb -0.02 -3.26 0.10 0.00 1.34 0.00 0.00 72.50 70.65 1h34 s THR 52 CO -0.04 -0.36 2.23 0.18 -0.54 0.00 0.00 174.62 176.08 1h34 n LEU 53 N -1.95 7.38 -3.99 4.79 7.99 -1.26 -4.44 117.00 125.52 1h34 n LEU 53 Ca 0.10 -4.59 -0.11 0.00 -0.01 0.00 0.00 56.01 51.40 1h34 n LEU 53 Cb 0.52 -1.49 -0.03 0.00 -0.11 0.00 0.00 43.42 42.31 1h34 n LEU 53 CO 0.46 1.62 0.24 -0.94 -1.51 0.00 0.00 177.39 177.26 1h34 s SER 54 N 1.29 0.33 -0.08 -1.43 1.04 -1.26 -5.11 113.70 108.48 1h34 s SER 54 Ca 0.49 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.76 1h34 s SER 54 Cb 0.14 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.94 1h34 s SER 54 CO -0.05 -1.32 -0.17 -0.63 0.98 0.00 0.00 173.24 172.05 1h34 s ILE 55 N -3.28 1.53 0.43 -1.02 -1.09 -1.26 -2.95 121.20 113.56 1h34 s ILE 55 Ca 0.24 -0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 57.72 1h34 s ILE 55 Cb -0.02 -1.35 -0.09 0.00 -1.58 0.00 0.00 42.46 39.42 1h34 s ILE 55 CO 0.14 0.44 1.05 -2.16 -1.23 0.00 0.00 174.94 173.18 1h34 s PRO 56 N 0.53 4.05 0.40 2.79 0.05 -1.26 -5.10 135.00 136.46 1h34 s PRO 56 Ca -0.16 1.46 -0.25 0.00 0.05 0.00 0.00 61.00 62.10 1h34 s PRO 56 Cb -0.17 -2.39 -0.08 0.00 0.05 0.00 0.00 34.50 31.90 1h34 s PRO 56 CO 0.06 -0.23 1.13 0.00 0.05 0.00 0.00 177.00 178.00 1h34 s ALA 57 N -1.77 3.12 -0.21 8.56 0.00 -1.15 -4.82 121.76 125.49 1h34 s ALA 57 Ca 0.61 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 1h34 s ALA 57 Cb -0.20 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1h34 s ALA 57 CO 0.25 -0.43 -0.02 -0.65 0.00 0.00 0.00 175.76 174.91 1h34 s GLN 58 N -2.38 3.50 0.01 0.00 -0.21 -1.26 -0.01 119.66 119.31 1h34 s GLN 58 Ca 0.58 -0.57 0.08 0.00 0.02 0.00 0.00 55.36 55.46 1h34 s GLN 58 Cb -0.28 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 1h34 s GLN 58 CO 0.35 -0.09 -0.25 0.00 -2.12 0.00 0.00 175.29 173.17 1h34 s VAL 60 N -0.69 2.01 -0.18 0.00 1.01 0.60 -0.16 120.40 123.00 1h34 s VAL 60 Ca 0.10 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 1h34 s VAL 60 Cb -0.10 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1h34 s VAL 60 CO 0.00 0.55 0.72 0.00 0.00 0.00 0.00 175.10 176.38 1h34 n ASP 62 N 5.07 2.62 -4.70 0.00 5.75 -0.08 -4.56 116.55 120.65 1h34 n ASP 62 Ca 0.01 -3.74 -0.42 0.00 -0.01 0.00 0.00 54.79 50.63 1h34 n ASP 62 Cb 0.49 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 1h34 n ASP 62 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1h34 n ASP 63 N -1.10 2.87 -4.77 -1.12 8.00 -1.26 -4.99 116.55 114.18 1h34 n ASP 63 Ca 0.35 1.21 -0.36 0.00 0.71 0.00 0.00 54.79 56.70 1h34 n ASP 63 Cb 1.08 -1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.61 1h34 n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h34 s ILE 64 N -1.04 5.18 0.23 0.53 -1.09 -1.26 -4.46 121.20 119.29 1h34 s ILE 64 Ca 0.56 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1h34 s ILE 64 Cb -0.56 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1h34 s ILE 64 CO 0.62 0.55 0.14 -1.81 -1.23 0.00 0.00 174.94 173.21 1h34 s ASP 65 N -0.45 0.63 -0.22 3.58 1.11 0.52 -4.93 116.67 116.91 1h34 s ASP 65 Ca 0.11 -1.45 0.11 0.00 0.18 0.00 0.00 52.55 51.50 1h34 s ASP 65 Cb -0.12 0.36 0.68 0.00 1.07 0.00 0.00 42.92 44.91 1h34 s ASP 65 CO 0.02 -0.85 1.58 -0.90 1.18 0.00 0.00 175.17 176.19 1h34 n ASP 66 N -0.51 4.85 -3.82 0.27 5.75 -1.26 0.49 116.55 122.33 1h34 n ASP 66 Ca 0.02 -2.84 -0.10 0.00 -0.01 0.00 0.00 54.79 51.86 1h34 n ASP 66 Cb 0.66 -0.67 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 1h34 n ASP 66 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1h34 s PHE 67 N -2.52 0.11 -0.09 2.11 -0.12 -1.26 -4.67 117.98 111.53 1h34 s PHE 67 Ca 0.46 -0.47 -0.10 0.00 -0.05 0.00 0.00 56.93 56.78 1h34 s PHE 67 Cb 0.36 0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 1h34 s PHE 67 CO 0.13 -0.74 0.22 0.00 -0.05 0.00 0.00 175.22 174.78 1h34 s TYR 69 N -0.90 2.47 0.75 0.00 2.02 -1.26 -4.99 117.35 115.45 1h34 s TYR 69 Ca 0.17 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.32 1h34 s TYR 69 Cb -0.13 -3.18 0.05 0.00 -0.40 0.00 0.00 41.96 38.30 1h34 s TYR 69 CO 0.06 -1.90 1.14 -1.83 -1.57 0.00 0.00 175.55 171.45 1h34 s GLU 70 N -4.34 2.16 0.84 -0.62 -1.05 -1.26 -4.13 118.70 110.30 1h34 s GLU 70 Ca 0.66 1.47 -0.14 0.00 -0.15 0.00 0.00 54.97 56.82 1h34 s GLU 70 Cb -0.21 -1.86 0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1h34 s GLU 70 CO 0.47 -1.76 0.72 -2.30 0.95 0.00 0.00 175.26 173.34 1h34 n PRO 71 N -3.09 0.02 0.00 -4.83 -0.02 -1.25 -0.53 135.00 125.29 1h34 n PRO 71 Ca 0.11 0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.80 1h34 n PRO 71 Cb 0.52 -2.05 0.59 0.00 -0.02 0.00 0.00 33.50 32.54 1h34 n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48