#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ees s SER 2 N 0.00 2.32 -0.58 1.61 0.15 -1.26 -5.10 113.70 110.84 1ees s SER 2 Ca 0.00 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 56.00 1ees s SER 2 Cb 0.00 -0.12 0.15 0.00 -1.71 0.00 0.00 66.02 64.34 1ees s SER 2 CO 0.00 0.02 0.35 -0.75 1.20 0.00 0.00 173.24 174.06 1ees s LYS 3 N -1.90 2.23 0.82 5.44 2.20 -1.26 -5.09 119.74 122.18 1ees s LYS 3 Ca 0.05 -2.73 -0.07 0.00 -0.36 0.00 0.00 55.97 52.86 1ees s LYS 3 Cb -0.10 -3.45 0.16 0.00 -1.51 0.00 0.00 37.83 32.93 1ees s LYS 3 CO 0.04 -1.15 1.13 -1.21 -0.36 0.00 0.00 175.35 173.79 1ees s GLU 4 N -0.45 1.24 0.00 4.03 0.41 -1.26 -5.10 118.70 117.58 1ees s GLU 4 Ca 0.18 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1ees s GLU 4 Cb -0.21 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 1ees s GLU 4 CO -0.03 -1.85 0.00 0.54 -0.49 0.00 0.00 175.26 173.43 1ees n ARG 5 N -3.21 2.48 0.00 1.61 3.00 -1.26 -4.72 116.66 114.56 1ees n ARG 5 Ca 0.15 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 58.09 1ees n ARG 5 Cb 0.60 0.00 0.56 0.00 0.00 0.00 0.00 32.46 33.62 1ees n ARG 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ees n PRO 6 N 0.00 0.61 0.00 5.56 -0.04 -1.26 -4.96 135.00 134.91 1ees n PRO 6 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ees n PRO 6 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1ees n PRO 6 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ees n GLU 7 N -0.98 0.00 0.04 0.54 -0.58 -1.26 -4.18 120.64 114.22 1ees n GLU 7 Ca 0.14 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 1ees n GLU 7 Cb 0.06 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.79 1ees n GLU 7 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1ees h ILE 8 N 0.00 1.51 -3.72 -3.67 -0.00 -2.03 -3.47 117.51 106.14 1ees h ILE 8 Ca 0.00 -2.52 -0.63 0.00 -0.00 0.00 0.00 64.86 61.72 1ees h ILE 8 Cb 0.00 3.20 -0.21 0.00 -0.00 0.00 0.00 36.82 39.81 1ees h ILE 8 CO 0.00 0.71 -0.84 -0.44 -0.00 0.00 0.00 178.15 177.58 1ees s SER 9 N -6.91 3.04 -0.31 2.16 0.01 -1.26 -5.11 113.70 105.32 1ees s SER 9 Ca -0.14 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 56.29 1ees s SER 9 Cb 0.01 -0.19 0.19 0.00 0.21 0.00 0.00 66.02 66.23 1ees s SER 9 CO 0.82 0.11 0.92 -1.48 0.41 0.00 0.00 173.24 174.01 1ees s LEU 10 N -2.19 -0.74 0.58 2.44 -0.00 -1.26 -5.07 118.68 112.44 1ees s LEU 10 Ca 0.13 -0.02 -0.15 0.00 -0.00 0.00 0.00 54.13 54.09 1ees s LEU 10 Cb -0.09 1.33 -0.05 0.00 -0.00 0.00 0.00 46.19 47.39 1ees s LEU 10 CO 0.06 -0.12 1.03 -2.16 -0.00 0.00 0.00 176.35 175.16 1ees s PRO 11 N 2.68 3.55 0.32 1.48 0.04 -1.26 -5.06 135.00 136.74 1ees s PRO 11 Ca 0.21 1.01 0.10 0.00 0.04 0.00 0.00 61.00 62.36 1ees s PRO 11 Cb -0.03 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1ees s PRO 11 CO -0.21 -0.61 -0.06 -1.12 0.04 0.00 0.00 177.00 175.04 1ees s SER 12 N -3.23 3.97 0.33 6.66 0.01 -1.26 -5.14 113.70 115.03 1ees s SER 12 Ca 0.60 -1.03 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 1ees s SER 12 Cb -0.13 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.65 1ees s SER 12 CO 0.40 -0.15 0.51 -0.62 0.41 0.00 0.00 173.24 173.79 1ees s ASP 13 N -3.64 0.55 -0.24 2.44 2.15 -1.26 -5.18 116.67 111.49 1ees s ASP 13 Ca 0.33 -1.32 -0.27 0.00 0.43 0.00 0.00 52.55 51.72 1ees s ASP 13 Cb -0.01 0.67 0.14 0.00 -0.30 0.00 0.00 42.92 43.42 1ees s ASP 13 CO 0.18 -1.31 1.10 0.72 -0.17 0.00 0.00 175.17 175.69 1ees s PHE 14 N -3.19 -0.34 -0.02 -5.34 -0.12 -1.26 -5.16 117.98 102.55 1ees s PHE 14 Ca 0.27 0.73 -0.01 0.00 -0.05 0.00 0.00 56.93 57.87 1ees s PHE 14 Cb -0.01 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 1ees s PHE 14 CO 0.16 -0.23 0.04 -2.00 -0.05 0.00 0.00 175.22 173.15 1ees s GLU 15 N -0.41 0.03 -0.10 1.99 2.12 -1.26 -5.15 118.70 115.93 1ees s GLU 15 Ca 0.02 0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.49 1ees s GLU 15 Cb -0.03 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.32 1ees s GLU 15 CO -0.05 -0.05 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.40 1ees s HIS 16 N 0.29 2.35 -0.30 5.30 3.76 -1.26 -5.08 115.29 120.35 1ees s HIS 16 Ca -0.02 -0.98 -0.03 0.00 -0.15 0.00 0.00 55.06 53.89 1ees s HIS 16 Cb -0.03 -1.59 0.11 0.00 1.11 0.00 0.00 32.58 32.18 1ees s HIS 16 CO -0.01 -0.41 0.18 0.95 -0.85 0.00 0.00 174.74 174.60 1ees s THR 17 N 0.46 -0.11 -0.07 1.30 -4.23 -1.26 -5.14 115.64 106.59 1ees s THR 17 Ca -0.17 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1ees s THR 17 Cb -0.17 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1ees s THR 17 CO 0.07 -0.72 0.01 -0.63 -0.54 0.00 0.00 174.62 172.82 1ees s ILE 18 N 1.98 4.39 -0.07 2.99 1.09 -1.26 -5.11 121.20 125.21 1ees s ILE 18 Ca 0.11 -0.27 -0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1ees s ILE 18 Cb -0.17 -2.87 0.02 0.00 -1.06 0.00 0.00 42.46 38.38 1ees s ILE 18 CO -0.30 0.57 -0.04 -1.00 -0.10 0.00 0.00 174.94 174.06 1ees s HIS 19 N -0.94 0.99 -0.02 3.97 3.76 -1.26 -5.13 115.29 116.67 1ees s HIS 19 Ca 0.15 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1ees s HIS 19 Cb -0.11 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.70 1ees s HIS 19 CO 0.04 -0.34 0.04 0.54 -0.85 0.00 0.00 174.74 174.17 1ees s VAL 20 N 1.48 -0.06 0.00 -0.90 0.11 -1.26 -5.01 120.40 114.77 1ees s VAL 20 Ca -0.01 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1ees s VAL 20 Cb -0.13 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1ees s VAL 20 CO -0.04 0.09 0.40 0.61 -3.33 0.00 0.00 175.10 172.83 1ees n GLY 21 N 4.17 -1.67 2.54 6.54 0.00 -1.26 -4.99 105.19 110.53 1ees n GLY 21 Ca -0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1ees n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ees s PHE 22 N 0.00 0.38 0.68 1.61 0.08 -1.26 -5.13 117.98 114.34 1ees s PHE 22 Ca 0.00 -1.59 -0.17 0.00 0.12 0.00 0.00 56.93 55.29 1ees s PHE 22 Cb 0.00 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1ees s PHE 22 CO 0.00 -0.91 1.04 -3.47 -0.10 0.00 0.00 175.22 171.78 1ees n ASP 23 N 3.52 0.88 -0.79 1.36 -0.08 -1.26 -2.71 116.55 117.47 1ees n ASP 23 Ca 0.19 0.73 -0.10 0.00 -1.51 0.00 0.00 54.79 54.09 1ees n ASP 23 Cb 0.45 -1.44 -0.04 0.00 2.34 0.00 0.00 41.12 42.43 1ees n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ees n ALA 24 N -2.26 -0.16 -0.06 -1.67 0.00 -1.26 -4.86 120.51 110.24 1ees n ALA 24 Ca 0.14 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 1ees n ALA 24 Cb 0.49 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1ees n ALA 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ees n VAL 25 N -2.69 0.71 1.00 0.00 0.31 -1.10 -4.20 118.33 112.35 1ees n VAL 25 Ca -0.10 -0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.06 1ees n VAL 25 Cb 0.34 -0.93 0.07 0.00 -0.91 0.00 0.00 33.84 32.41 1ees n VAL 25 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ees n THR 26 N -2.84 0.00 0.17 2.52 -1.04 -1.26 -4.19 114.28 107.65 1ees n THR 26 Ca -0.22 -0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.84 1ees n THR 26 Cb 0.74 0.62 -0.06 0.00 -1.82 0.00 0.00 70.33 69.80 1ees n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ees n GLY 27 N 1.50 -0.18 3.54 3.41 0.00 -1.26 -4.90 105.19 107.30 1ees n GLY 27 Ca 0.05 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1ees n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ees s GLU 28 N -2.31 3.43 -0.25 1.61 2.56 -1.26 -4.99 118.70 117.49 1ees s GLU 28 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.97 54.91 1ees s GLU 28 Cb 0.06 -3.98 0.04 0.00 2.00 0.00 0.00 34.13 32.26 1ees s GLU 28 CO 0.38 -1.30 -0.10 0.12 -0.56 0.00 0.00 175.26 173.80 1ees s PHE 29 N 3.72 3.11 0.36 5.30 5.36 -1.26 -4.87 117.98 129.70 1ees s PHE 29 Ca 0.33 -1.89 0.00 0.00 -0.96 0.00 0.00 56.93 54.41 1ees s PHE 29 Cb -0.11 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1ees s PHE 29 CO 0.23 -0.81 0.00 0.25 -1.46 0.00 0.00 175.22 173.43 1ees n THR 30 N 4.57 0.00 -2.72 0.12 -2.24 -1.26 -5.05 114.28 107.70 1ees n THR 30 Ca -0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1ees n THR 30 Cb 0.45 -0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.65 1ees n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ees n GLY 31 N -0.72 -0.40 3.95 3.38 0.00 -1.26 -5.16 105.19 104.98 1ees n GLY 31 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 1ees n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ees s ILE 32 N 0.40 3.21 1.32 -0.61 -4.36 -1.26 -5.11 121.20 114.79 1ees s ILE 32 Ca 0.27 -1.15 -0.21 0.00 -0.26 0.00 0.00 60.65 59.31 1ees s ILE 32 Cb 0.25 -3.11 0.33 0.00 1.25 0.00 0.00 42.46 41.17 1ees s ILE 32 CO -0.16 -0.06 1.02 -2.16 0.24 0.00 0.00 174.94 173.82 1ees s PRO 33 N -4.20 -2.11 0.83 0.37 0.04 -1.26 -4.91 135.00 123.76 1ees s PRO 33 Ca 0.49 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 1ees s PRO 33 Cb -0.07 -1.48 -0.13 0.00 0.04 0.00 0.00 34.50 32.86 1ees s PRO 33 CO 0.30 -4.32 -0.69 -1.91 0.04 0.00 0.00 177.00 170.43 1ees n GLU 34 N -5.21 0.00 0.00 4.56 4.07 -1.26 -4.92 120.64 117.87 1ees n GLU 34 Ca 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1ees n GLU 34 Cb 0.60 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 31.15 1ees n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ees n GLN 35 N 2.07 0.00 -0.74 5.31 0.00 -1.26 -4.74 117.38 118.02 1ees n GLN 35 Ca -0.02 0.47 0.01 0.00 0.00 0.00 0.00 57.00 57.46 1ees n GLN 35 Cb 0.47 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 29.56 1ees n GLN 35 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 1ees n TRP 36 N -1.90 0.00 0.00 2.61 -0.00 -1.26 -5.01 117.44 111.88 1ees n TRP 36 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1ees n TRP 36 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 31.31 31.26 1ees n TRP 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ees n ALA 37 N 0.11 0.00 -0.96 5.87 0.00 -1.26 -5.00 120.51 119.27 1ees n ALA 37 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1ees n ALA 37 Cb 0.79 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.18 1ees n ALA 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ees n ARG 38 N 0.00 1.80 -0.34 0.00 0.63 -1.26 -4.60 116.66 112.89 1ees n ARG 38 Ca 0.00 -1.15 0.16 0.00 -0.92 0.00 0.00 57.85 55.94 1ees n ARG 38 Cb 0.00 -1.70 0.37 0.00 0.45 0.00 0.00 32.46 31.58 1ees n ARG 38 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ees h LEU 39 N 3.78 0.69 -3.23 6.15 8.10 -1.97 -0.25 115.31 128.58 1ees h LEU 39 Ca 0.21 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.29 1ees h LEU 39 Cb 1.10 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1ees h LEU 39 CO 0.42 0.22 0.00 0.00 -4.11 0.00 0.00 178.44 174.96 1ees n LEU 40 N -4.74 4.40 -1.13 0.17 -0.00 -1.26 -4.39 117.00 110.05 1ees n LEU 40 Ca 0.24 -2.68 0.02 0.00 -0.00 0.00 0.00 56.01 53.59 1ees n LEU 40 Cb 0.65 -0.54 0.01 0.00 -0.00 0.00 0.00 43.42 43.54 1ees n LEU 40 CO 0.22 0.72 0.15 0.00 -0.00 0.00 0.00 177.39 178.47 1ees n GLN 41 N 0.37 0.00 -2.29 1.47 6.02 -0.20 -5.10 117.38 117.65 1ees n GLN 41 Ca 0.23 -1.55 -0.03 0.00 -0.01 0.00 0.00 57.00 55.63 1ees n GLN 41 Cb 0.89 -0.10 -0.01 0.00 1.02 0.00 0.00 30.24 32.04 1ees n GLN 41 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1ees n THR 42 N 0.30 0.00 -0.68 5.09 5.66 -0.60 -4.97 114.28 119.06 1ees n THR 42 Ca 0.01 -0.26 -0.18 0.00 -3.05 0.00 0.00 64.05 60.56 1ees n THR 42 Cb 0.96 0.06 0.09 0.00 -1.55 0.00 0.00 70.33 69.89 1ees n THR 42 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ees n SER 43 N -1.20 4.75 0.08 1.09 7.64 -1.26 -4.65 113.62 120.07 1ees n SER 43 Ca -0.02 -3.16 -0.09 0.00 1.01 0.00 0.00 58.87 56.61 1ees n SER 43 Cb 0.07 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 62.38 1ees n SER 43 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ees h ASN 44 N 1.03 -0.87 0.00 6.43 -1.24 -1.93 -3.41 115.58 115.59 1ees h ASN 44 Ca 0.41 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.51 1ees h ASN 44 Cb 1.74 0.32 0.00 0.00 0.73 0.00 0.00 38.32 41.11 1ees h ASN 44 CO 0.85 -0.32 0.00 -0.38 -1.29 0.00 0.00 177.43 176.29 1ees n ILE 45 N -4.13 0.00 -0.54 2.57 5.41 -1.26 -5.26 119.36 116.15 1ees n ILE 45 Ca -0.05 0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1ees n ILE 45 Cb 0.24 -1.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 1ees n ILE 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96