#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2egm s SER 2 N 0.00 -0.65 0.48 1.61 0.15 -1.26 -5.18 113.70 108.85 2egm s SER 2 Ca 0.00 1.08 0.07 0.00 0.70 0.00 0.00 55.95 57.80 2egm s SER 2 Cb 0.00 1.05 0.01 0.00 -1.71 0.00 0.00 66.02 65.37 2egm s SER 2 CO 0.00 -0.35 0.39 -0.44 1.20 0.00 0.00 173.24 174.04 2egm s SER 3 N -0.20 4.79 0.00 5.45 0.01 -1.26 -5.09 113.70 117.41 2egm s SER 3 Ca -0.04 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.21 2egm s SER 3 Cb -0.03 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2egm s SER 3 CO 0.04 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2egm n GLY 4 N -1.64 -0.41 3.91 3.44 0.00 -1.26 -5.03 105.19 104.19 2egm n GLY 4 Ca 0.01 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2egm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2egm n SER 5 N -0.23 -2.18 -4.87 1.61 7.64 -1.26 -4.95 113.62 109.39 2egm n SER 5 Ca 0.00 -0.89 -0.36 0.00 1.01 0.00 0.00 58.87 58.63 2egm n SER 5 Cb 0.00 -3.53 -0.06 0.00 -1.01 0.00 0.00 64.21 59.62 2egm n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2egm s SER 6 N -3.93 6.62 0.00 6.43 1.04 -1.26 -5.05 113.70 117.54 2egm s SER 6 Ca 0.28 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2egm s SER 6 Cb -0.15 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2egm s SER 6 CO 0.86 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.94 2egm n GLY 7 N 1.26 2.61 3.17 7.32 0.00 -1.26 -5.17 105.19 113.13 2egm n GLY 7 Ca -0.11 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2egm n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2egm s THR 8 N 0.00 1.30 0.12 2.61 -4.23 -1.26 -5.12 115.64 109.06 2egm s THR 8 Ca 0.00 -1.01 -0.31 0.00 -1.18 0.00 0.00 61.69 59.20 2egm s THR 8 Cb 0.00 -1.14 -0.08 0.00 1.34 0.00 0.00 72.50 72.62 2egm s THR 8 CO 0.00 0.12 1.35 -2.16 -0.54 0.00 0.00 174.62 173.39 2egm s PRO 9 N -1.03 4.35 0.00 3.99 0.04 -1.26 -4.89 135.00 136.19 2egm s PRO 9 Ca 0.04 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2egm s PRO 9 Cb -0.08 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2egm s PRO 9 CO 0.01 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2egm n GLY 10 N 3.26 0.00 3.92 0.56 0.00 -1.26 -5.10 105.19 106.57 2egm n GLY 10 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2egm n GLY 10 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2egm s ARG 11 N -1.81 1.19 0.00 1.61 1.04 -1.26 -5.08 118.95 114.64 2egm s ARG 11 Ca 0.00 -0.24 0.00 0.00 -1.04 0.00 0.00 55.73 54.45 2egm s ARG 11 Cb 0.00 -1.91 0.00 0.00 -2.04 0.00 0.00 34.95 31.00 2egm s ARG 11 CO 0.00 -2.06 0.00 0.41 -0.04 0.00 0.00 175.30 173.61 2egm n GLY 12 N -3.55 -0.19 4.18 3.88 0.00 -1.26 -4.98 105.19 103.28 2egm n GLY 12 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2egm n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2egm n SER 13 N -1.40 0.53 0.00 1.61 2.88 -1.26 -4.72 113.62 111.25 2egm n SER 13 Ca 0.00 -1.19 0.02 0.00 -1.33 0.00 0.00 58.87 56.36 2egm n SER 13 Cb 0.00 -1.48 0.08 0.00 -0.75 0.00 0.00 64.21 62.06 2egm n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2egm n ARG 14 N -4.38 0.02 -3.70 -1.46 5.12 -1.26 -4.71 116.66 106.30 2egm n ARG 14 Ca -0.29 0.36 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 2egm n ARG 14 Cb 0.64 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.39 2egm n ARG 14 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2egm n VAL 15 N -1.40 0.00 -0.03 1.55 0.24 -1.26 -5.08 118.33 112.34 2egm n VAL 15 Ca 0.01 -1.83 -0.04 0.00 -2.04 0.00 0.00 64.34 60.44 2egm n VAL 15 Cb 0.04 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.29 2egm n VAL 15 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2egm n THR 16 N -0.49 0.47 -4.53 3.34 5.66 -1.26 -4.97 114.28 112.49 2egm n THR 16 Ca 0.05 -0.27 -0.23 0.00 -3.05 0.00 0.00 64.05 60.56 2egm n THR 16 Cb 0.47 -0.82 -0.05 0.00 -1.55 0.00 0.00 70.33 68.38 2egm n THR 16 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2egm n ASP 17 N -2.34 2.88 -2.27 1.09 8.00 -1.26 -4.72 116.55 117.94 2egm n ASP 17 Ca -0.12 -2.60 -0.01 0.00 0.71 0.00 0.00 54.79 52.77 2egm n ASP 17 Cb 0.71 0.29 -0.00 0.00 -0.02 0.00 0.00 41.12 42.10 2egm n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2egm n GLN 18 N -0.90 -2.67 0.00 -1.24 10.64 -1.26 -4.78 117.38 117.17 2egm n GLN 18 Ca -0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 2egm n GLN 18 Cb 0.46 -3.88 0.00 0.00 -0.86 0.00 0.00 30.24 25.96 2egm n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2egm n GLY 19 N -0.44 0.72 2.87 2.61 0.00 -1.26 -4.20 105.19 105.48 2egm n GLY 19 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2egm n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2egm s ILE 20 N 0.32 0.05 -0.11 -0.61 -1.09 -1.26 -0.87 121.20 117.64 2egm s ILE 20 Ca 0.00 -0.00 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 2egm s ILE 20 Cb 0.00 -0.07 -0.03 0.00 -1.58 0.00 0.00 42.46 40.78 2egm s ILE 20 CO 0.00 0.03 1.31 0.00 -1.23 0.00 0.00 174.94 175.05 2egm n PRO 22 N 6.21 0.49 -0.05 0.00 -0.04 -1.26 0.18 135.00 140.52 2egm n PRO 22 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2egm n PRO 22 Cb 0.45 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 2egm n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2egm n LYS 23 N -0.65 0.27 -0.00 0.54 5.02 -1.26 -4.79 118.16 117.29 2egm n LYS 23 Ca 0.03 0.11 0.07 0.00 -2.02 0.00 0.00 58.31 56.51 2egm n LYS 23 Cb 0.02 -0.95 -0.09 0.00 -0.02 0.00 0.00 35.03 33.98 2egm n LYS 23 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2egm n HIS 24 N -3.71 0.00 -3.24 2.13 8.25 -1.19 -5.01 115.22 112.44 2egm n HIS 24 Ca -0.19 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.12 2egm n HIS 24 Cb 0.53 -0.14 0.07 0.00 1.12 0.00 0.00 29.99 31.57 2egm n HIS 24 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2egm n GLN 25 N -1.62 -5.79 -4.90 -0.41 3.00 0.47 -4.96 117.38 103.16 2egm n GLN 25 Ca 0.00 0.71 -0.33 0.00 -0.01 0.00 0.00 57.00 57.37 2egm n GLN 25 Cb 0.29 -5.32 -0.15 0.00 0.00 0.00 0.00 30.24 25.06 2egm n GLN 25 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2egm s GLU 26 N -5.35 3.04 -0.81 -1.09 0.41 -1.25 -4.75 118.70 108.90 2egm s GLU 26 Ca 0.11 -0.73 -0.32 0.00 -0.41 0.00 0.00 54.97 53.61 2egm s GLU 26 Cb -0.05 -2.48 -0.19 0.00 -1.78 0.00 0.00 34.13 29.63 2egm s GLU 26 CO 0.61 0.33 2.54 0.00 -0.49 0.00 0.00 175.26 178.25 2egm n ALA 27 N 3.15 0.41 -1.54 5.21 0.00 -1.26 -2.66 120.51 123.83 2egm n ALA 27 Ca -0.18 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 52.65 2egm n ALA 27 Cb 0.53 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.50 2egm n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2egm n LEU 28 N 10.85 1.67 -0.52 0.00 4.77 -0.05 -4.56 117.00 129.17 2egm n LEU 28 Ca 0.58 -0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2egm n LEU 28 Cb 0.11 -1.44 0.19 0.00 -2.33 0.00 0.00 43.42 39.96 2egm n LEU 28 CO 0.88 -1.64 0.61 2.29 -1.33 0.00 0.00 177.39 178.21 2egm n LYS 29 N 8.69 1.95 -3.86 3.23 2.85 -1.17 -4.34 118.16 125.52 2egm n LYS 29 Ca 0.45 -2.80 -0.10 0.00 -1.05 0.00 0.00 58.31 54.82 2egm n LYS 29 Cb 0.42 -1.67 -0.08 0.00 -0.65 0.00 0.00 35.03 33.05 2egm n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2egm s LEU 30 N -2.93 1.44 -0.06 -5.58 1.43 -0.96 -2.45 118.68 109.57 2egm s LEU 30 Ca 0.37 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2egm s LEU 30 Cb 0.32 0.95 0.03 0.00 0.03 0.00 0.00 46.19 47.52 2egm s LEU 30 CO 0.04 -0.62 -0.02 0.12 0.23 0.00 0.00 176.35 176.10 2egm s PHE 31 N -3.08 0.76 -0.32 0.29 5.36 0.15 -0.23 117.98 120.91 2egm s PHE 31 Ca -0.01 -0.23 -0.29 0.00 -0.96 0.00 0.00 56.93 55.44 2egm s PHE 31 Cb 0.01 -0.78 -0.00 0.00 -0.34 0.00 0.00 43.02 41.91 2egm s PHE 31 CO -0.07 -0.29 1.44 0.00 -1.46 0.00 0.00 175.22 174.85 2egm n GLU 33 N 7.71 0.86 -0.05 0.00 1.02 -0.43 0.17 120.64 129.93 2egm n GLU 33 Ca 0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 2egm n GLU 33 Cb 0.47 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 2egm n GLU 33 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2egm n VAL 34 N -0.66 0.63 0.22 2.62 0.31 -1.26 -4.67 118.33 115.53 2egm n VAL 34 Ca 0.07 -0.36 0.06 0.00 -0.01 0.00 0.00 64.34 64.09 2egm n VAL 34 Cb 0.03 -0.78 -0.08 0.00 -0.91 0.00 0.00 33.84 32.09 2egm n VAL 34 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2egm n ASP 35 N -2.43 1.55 -3.02 4.52 8.00 -1.16 -5.02 116.55 118.99 2egm n ASP 35 Ca -0.16 -0.31 -0.17 0.00 0.71 0.00 0.00 54.79 54.86 2egm n ASP 35 Cb 0.78 1.33 0.07 0.00 -0.02 0.00 0.00 41.12 43.29 2egm n ASP 35 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2egm n GLU 36 N -1.66 -5.98 -3.81 -1.24 1.02 0.13 -5.02 120.64 104.06 2egm n GLU 36 Ca -0.00 0.69 -0.13 0.00 -0.02 0.00 0.00 57.16 57.69 2egm n GLU 36 Cb 0.26 -5.27 -0.14 0.00 -0.02 0.00 0.00 31.44 26.27 2egm n GLU 36 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2egm s GLU 37 N -5.57 0.03 0.09 3.49 -1.05 -1.23 -4.97 118.70 109.49 2egm s GLU 37 Ca 0.23 0.15 -0.31 0.00 -0.15 0.00 0.00 54.97 54.89 2egm s GLU 37 Cb -0.10 -0.08 -0.09 0.00 -0.44 0.00 0.00 34.13 33.42 2egm s GLU 37 CO 0.60 -0.08 1.64 0.00 0.95 0.00 0.00 175.26 178.38 2egm s ALA 38 N 0.49 3.71 0.39 -0.84 0.00 -1.26 -2.25 121.76 122.00 2egm s ALA 38 Ca -0.04 1.26 0.04 0.00 0.00 0.00 0.00 51.96 53.22 2egm s ALA 38 Cb -0.06 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 2egm s ALA 38 CO -0.02 -1.04 0.04 0.96 0.00 0.00 0.00 175.76 175.71 2egm s ILE 39 N 2.32 1.36 0.50 0.00 -4.36 0.68 -4.91 121.20 116.79 2egm s ILE 39 Ca 0.73 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 59.20 2egm s ILE 39 Cb -0.41 -2.70 0.03 0.00 1.25 0.00 0.00 42.46 40.63 2egm s ILE 39 CO 0.32 0.00 0.48 0.00 0.24 0.00 0.00 174.94 175.98 2egm h VAL 41 N 0.73 0.91 -0.06 0.00 -1.51 -1.86 -1.48 116.25 112.97 2egm h VAL 41 Ca -0.37 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.82 2egm h VAL 41 Cb 1.29 0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2egm h VAL 41 CO 0.54 0.14 -0.02 0.58 -1.23 0.00 0.00 177.57 177.58 2egm h VAL 42 N 0.77 1.31 -0.90 7.19 2.07 -1.95 -2.68 116.25 122.06 2egm h VAL 42 Ca 0.42 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 67.06 2egm h VAL 42 Cb 0.55 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2egm h VAL 42 CO -0.18 0.27 0.58 0.00 0.02 0.00 0.00 177.57 178.25 2egm h ARG 44 N 0.91 1.00 0.00 0.00 1.12 -1.22 -2.70 114.38 113.49 2egm h ARG 44 Ca 0.41 -0.24 -0.13 0.00 -1.11 0.00 0.00 59.98 58.92 2egm h ARG 44 Cb 0.39 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2egm h ARG 44 CO -0.18 0.90 -0.61 0.93 -3.11 0.00 0.00 179.97 177.91 2egm h GLU 45 N 0.92 0.00 -6.52 0.20 5.08 -0.92 -2.94 114.58 110.40 2egm h GLU 45 Ca 0.20 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.03 2egm h GLU 45 Cb 0.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 2egm h GLU 45 CO 0.00 0.61 0.77 -1.54 -1.00 0.00 0.00 179.01 177.85 2egm s SER 46 N -6.74 6.80 0.48 1.42 1.04 0.25 -4.66 113.70 112.29 2egm s SER 46 Ca -0.01 2.33 0.42 0.00 0.48 0.00 0.00 55.95 59.17 2egm s SER 46 Cb 0.12 -2.58 1.44 0.00 0.10 0.00 0.00 66.02 65.10 2egm s SER 46 CO 0.75 -0.69 1.32 -2.11 0.98 0.00 0.00 173.24 173.50 2egm n ARG 47 N 4.25 0.00 -0.19 4.02 1.85 -1.26 0.74 116.66 126.07 2egm n ARG 47 Ca 0.12 0.93 0.00 0.00 -1.00 0.00 0.00 57.85 57.90 2egm n ARG 47 Cb 0.42 -2.15 0.10 0.00 -1.05 0.00 0.00 32.46 29.77 2egm n ARG 47 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2egm h SER 48 N 0.00 -0.16 -0.00 2.89 0.87 -1.88 -2.93 113.55 112.33 2egm h SER 48 Ca 0.78 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 61.40 2egm h SER 48 Cb 3.21 0.22 -0.15 0.00 -0.44 0.00 0.00 62.40 65.24 2egm h SER 48 CO -0.01 -0.07 -0.70 1.41 -0.53 0.00 0.00 176.83 176.93 2egm n HIS 49 N -5.22 0.02 0.03 2.24 8.25 0.23 -4.77 115.22 115.99 2egm n HIS 49 Ca 0.08 -1.13 -0.21 0.00 -0.26 0.00 0.00 57.72 56.20 2egm n HIS 49 Cb 0.33 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 31.09 2egm n HIS 49 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2egm h LYS 50 N 1.01 0.27 0.00 -0.41 1.63 -0.92 -3.34 116.57 114.81 2egm h LYS 50 Ca -0.08 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 2egm h LYS 50 Cb 1.34 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 2egm h LYS 50 CO 0.04 1.22 -0.17 1.96 -3.45 0.00 0.00 179.45 179.05 2egm h GLN 51 N -0.35 0.00 -6.73 1.90 4.20 -1.86 -3.46 115.11 108.82 2egm h GLN 51 Ca -0.22 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.99 2egm h GLN 51 Cb 1.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.47 2egm h GLN 51 CO 0.11 0.00 0.43 -1.01 -0.67 0.00 0.00 178.83 177.69 2egm s HIS 52 N -3.18 3.71 -0.75 2.96 3.76 -1.25 -4.95 115.29 115.59 2egm s HIS 52 Ca 0.07 1.74 -0.26 0.00 -0.15 0.00 0.00 55.06 56.47 2egm s HIS 52 Cb 0.09 -3.18 -0.02 0.00 1.11 0.00 0.00 32.58 30.58 2egm s HIS 52 CO 0.66 -0.23 1.84 -1.54 -0.85 0.00 0.00 174.74 174.62 2egm s SER 53 N -0.65 5.33 0.10 1.40 1.04 -1.26 -4.90 113.70 114.76 2egm s SER 53 Ca 0.45 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.60 2egm s SER 53 Cb -0.29 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.23 2egm s SER 53 CO 0.36 -2.45 0.41 -0.69 0.98 0.00 0.00 173.24 171.85 2egm s VAL 54 N 9.08 5.08 0.13 5.02 1.01 -1.26 -1.31 120.40 138.15 2egm s VAL 54 Ca 0.65 0.42 0.08 0.00 0.00 0.00 0.00 61.98 63.13 2egm s VAL 54 Cb -0.09 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2egm s VAL 54 CO 0.11 0.23 -0.18 0.68 0.00 0.00 0.00 175.10 175.93 2egm s VAL 55 N -1.47 1.67 -0.54 2.92 -7.23 -0.22 -4.91 120.40 110.63 2egm s VAL 55 Ca 0.35 -1.73 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 2egm s VAL 55 Cb -0.14 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2egm s VAL 55 CO 0.19 -0.24 1.82 -2.16 -0.31 0.00 0.00 175.10 174.40 2egm s PRO 56 N -2.42 2.84 0.00 4.82 0.04 -1.26 0.31 135.00 139.34 2egm s PRO 56 Ca 0.11 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2egm s PRO 56 Cb -0.07 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2egm s PRO 56 CO 0.05 -2.47 0.00 1.28 0.04 0.00 0.00 177.00 175.90