#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi s SER 2 N 0.00 4.02 -0.02 1.61 0.01 -1.26 -5.08 113.70 112.98 2emi s SER 2 Ca 0.00 -1.22 -0.03 0.00 1.31 0.00 0.00 55.95 56.01 2emi s SER 2 Cb 0.00 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 2emi s SER 2 CO 0.00 -0.39 -0.07 -0.24 0.41 0.00 0.00 173.24 172.95 2emi n SER 3 N -0.99 0.75 0.00 2.44 2.88 -1.26 -5.02 113.62 112.41 2emi n SER 3 Ca -0.04 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2emi n SER 3 Cb 0.65 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2emi n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2emi n GLY 4 N 2.83 1.86 3.46 0.46 0.00 -1.26 -4.98 105.19 107.55 2emi n GLY 4 Ca -0.08 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2emi n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2emi n SER 5 N 2.80 -1.69 -4.17 1.61 3.41 -1.26 -2.85 113.62 111.48 2emi n SER 5 Ca 0.00 0.36 -0.30 0.00 -0.26 0.00 0.00 58.87 58.67 2emi n SER 5 Cb 0.00 -1.25 -0.06 0.00 -0.26 0.00 0.00 64.21 62.65 2emi n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2emi n SER 6 N -1.69 -0.21 -4.84 4.04 2.88 -1.26 -4.91 113.62 107.63 2emi n SER 6 Ca 0.08 -1.13 -0.34 0.00 -1.33 0.00 0.00 58.87 56.14 2emi n SER 6 Cb 0.53 -2.34 -0.06 0.00 -0.75 0.00 0.00 64.21 61.59 2emi n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2emi s GLY 7 N -4.19 2.46 0.13 0.46 0.00 -1.13 -5.06 107.32 99.97 2emi s GLY 7 Ca 0.13 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.62 2emi s GLY 7 CO 0.95 0.29 1.07 -1.08 0.00 0.00 0.00 173.10 174.33 2emi s THR 8 N -1.69 0.00 0.00 0.90 -1.32 -1.26 -5.18 115.64 107.09 2emi s THR 8 Ca 0.46 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 2emi s THR 8 Cb -0.14 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 2emi s THR 8 CO 0.19 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 2emi n GLY 9 N -0.62 0.71 1.51 6.08 0.00 -1.26 -5.10 105.19 106.51 2emi n GLY 9 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2emi n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2emi n GLU 10 N 0.00 0.00 -2.14 1.61 -0.58 -1.26 -5.00 120.64 113.27 2emi n GLU 10 Ca 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 2emi n GLU 10 Cb 0.00 -0.25 -0.03 0.00 -0.57 0.00 0.00 31.44 30.59 2emi n GLU 10 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2emi s ARG 11 N -2.00 2.90 0.01 3.49 3.52 -1.26 -4.90 118.95 120.72 2emi s ARG 11 Ca 0.00 0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 2emi s ARG 11 Cb 0.00 -4.29 0.10 0.00 -1.56 0.00 0.00 34.95 29.19 2emi s ARG 11 CO 0.00 -2.41 0.96 -3.38 -0.81 0.00 0.00 175.30 169.66 2emi s HIS 12 N 7.94 -0.25 -0.50 5.12 -3.43 -1.26 -5.09 115.29 117.83 2emi s HIS 12 Ca 0.64 0.08 -0.27 0.00 -0.80 0.00 0.00 55.06 54.71 2emi s HIS 12 Cb -0.13 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.56 2emi s HIS 12 CO 0.23 -0.56 1.86 0.71 -2.00 0.00 0.00 174.74 174.97 2emi s TYR 13 N -3.05 1.70 0.14 0.38 1.51 -0.95 -4.87 117.35 112.21 2emi s TYR 13 Ca 0.08 0.78 0.04 0.00 -1.01 0.00 0.00 57.07 56.95 2emi s TYR 13 Cb -0.01 -4.08 -0.04 0.00 -0.11 0.00 0.00 41.96 37.73 2emi s TYR 13 CO -0.05 -2.54 0.13 -1.21 -1.11 0.00 0.00 175.55 170.77 2emi s GLU 14 N 6.55 2.95 -0.28 -0.62 2.02 -1.26 0.06 118.70 128.11 2emi s GLU 14 Ca 0.73 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 2emi s GLU 14 Cb -0.16 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.36 2emi s GLU 14 CO 0.26 0.51 0.79 0.00 0.02 0.00 0.00 175.26 176.85 2emi n SER 16 N 6.11 2.14 -0.05 0.00 2.88 -1.26 -1.71 113.62 121.73 2emi n SER 16 Ca 0.04 -2.22 -0.08 0.00 -1.33 0.00 0.00 58.87 55.28 2emi n SER 16 Cb 0.48 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.35 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2emi n GLU 17 N 0.14 0.26 0.00 -1.46 -0.58 -1.26 -4.90 120.64 112.85 2emi n GLU 17 Ca 0.07 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2emi n GLU 17 Cb 0.48 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 2emi n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2emi n GLY 19 N 3.27 1.80 2.41 0.00 0.00 -0.69 -5.07 105.19 106.89 2emi n GLY 19 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2emi n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2emi n LYS 20 N 0.00 -0.45 -3.72 1.61 4.76 -1.24 -4.81 118.16 114.31 2emi n LYS 20 Ca 0.00 -1.44 -0.12 0.00 -2.87 0.00 0.00 58.31 53.89 2emi n LYS 20 Cb 0.00 -0.69 -0.11 0.00 -1.84 0.00 0.00 35.03 32.39 2emi n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2emi s ALA 21 N -3.62 -0.88 -0.01 7.82 0.00 -1.26 -1.90 121.76 121.90 2emi s ALA 21 Ca 0.45 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.68 2emi s ALA 21 Cb -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2emi s ALA 21 CO 0.31 -0.22 -0.01 -0.06 0.00 0.00 0.00 175.76 175.77 2emi s PHE 22 N 1.05 0.27 0.24 0.00 0.40 0.11 -4.99 117.98 115.06 2emi s PHE 22 Ca -0.07 -0.02 0.23 0.00 -0.60 0.00 0.00 56.93 56.47 2emi s PHE 22 Cb -0.07 -0.27 1.02 0.00 0.51 0.00 0.00 43.02 44.20 2emi s PHE 22 CO -0.08 -0.06 1.88 0.97 0.70 0.00 0.00 175.22 178.63 2emi h ILE 23 N 5.63 0.66 -4.25 0.64 2.10 -1.97 -2.51 117.51 117.81 2emi h ILE 23 Ca -0.34 -1.04 -0.69 0.00 1.08 0.00 0.00 64.86 63.87 2emi h ILE 23 Cb 1.17 1.67 -0.29 0.00 -1.09 0.00 0.00 36.82 38.27 2emi h ILE 23 CO 0.49 0.23 -0.87 -1.10 -1.08 0.00 0.00 178.15 175.83 2emi s GLN 24 N -3.83 2.38 0.15 2.19 -0.21 -1.26 -4.74 119.66 114.33 2emi s GLN 24 Ca -0.01 -0.88 -0.12 0.00 0.02 0.00 0.00 55.36 54.37 2emi s GLN 24 Cb 0.11 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.98 2emi s GLN 24 CO 0.64 0.49 1.58 -0.22 -2.12 0.00 0.00 175.29 175.66 2emi h LYS 25 N 5.73 0.87 -0.64 2.91 1.63 -1.94 -2.72 116.57 122.42 2emi h LYS 25 Ca -0.39 -0.30 0.07 0.00 -0.85 0.00 0.00 60.65 59.19 2emi h LYS 25 Cb 1.15 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.65 2emi h LYS 25 CO 0.48 0.93 0.32 0.77 -3.45 0.00 0.00 179.45 178.50 2emi h SER 26 N 0.72 0.44 -0.80 4.20 0.02 -1.98 -0.40 113.55 115.75 2emi h SER 26 Ca 0.13 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2emi h SER 26 Cb 0.57 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2emi h SER 26 CO 0.03 0.28 0.32 0.74 -1.14 0.00 0.00 176.83 177.06 2emi h THR 27 N 0.58 1.26 -0.34 -2.27 2.02 -1.96 -2.89 112.91 109.31 2emi h THR 27 Ca 0.30 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2emi h THR 27 Cb 0.25 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2emi h THR 27 CO -0.22 0.34 0.08 0.25 0.37 0.00 0.00 175.52 176.34 2emi h LEU 28 N 1.16 0.51 -1.06 2.58 5.85 -1.01 -2.84 115.31 120.51 2emi h LEU 28 Ca 0.27 -0.23 0.18 0.00 0.84 0.00 0.00 57.88 58.93 2emi h LEU 28 Cb 0.21 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 2emi h LEU 28 CO -0.02 0.61 0.62 -1.28 -0.34 0.00 0.00 178.44 178.02 2emi h SER 29 N 0.39 0.77 0.42 1.25 0.87 -0.91 0.56 113.55 116.89 2emi h SER 29 Ca 0.11 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2emi h SER 29 Cb 0.30 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2emi h SER 29 CO 0.00 0.30 -0.10 0.24 -0.53 0.00 0.00 176.83 176.75 2emi h MET 30 N 0.77 0.00 0.00 2.24 2.86 -1.34 -3.15 114.93 116.31 2emi h MET 30 Ca 0.55 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.10 2emi h MET 30 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2emi h MET 30 CO -0.34 0.10 -0.68 1.25 1.06 0.00 0.00 176.91 178.30 2emi h HIS 31 N 0.00 0.00 -0.88 -0.22 -0.00 0.04 -3.35 115.15 110.75 2emi h HIS 31 Ca -0.00 0.00 0.26 0.00 -0.00 0.00 0.00 60.37 60.62 2emi h HIS 31 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.71 2emi h HIS 31 CO 0.00 0.75 1.14 1.96 -0.00 0.00 0.00 177.93 181.78 2emi h GLN 32 N -1.00 0.00 -0.87 5.26 4.20 -0.90 0.30 115.11 122.10 2emi h GLN 32 Ca -0.14 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.76 2emi h GLN 32 Cb 0.84 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.50 2emi h GLN 32 CO -0.09 0.00 0.38 0.07 -0.67 0.00 0.00 178.83 178.52 2emi h ARG 33 N 0.00 0.42 -0.24 1.46 0.11 -1.68 0.59 114.38 115.04 2emi h ARG 33 Ca 0.42 -0.03 0.07 0.00 0.10 0.00 0.00 59.98 60.54 2emi h ARG 33 Cb 2.69 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 33.67 2emi h ARG 33 CO -0.00 0.28 0.25 -0.84 0.10 0.00 0.00 179.97 179.76 2emi h ILE 34 N 0.43 0.48 -0.32 0.08 3.07 -0.67 0.46 117.51 121.05 2emi h ILE 34 Ca 0.52 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.93 2emi h ILE 34 Cb 0.93 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 2emi h ILE 34 CO -0.49 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.02 2emi n HIS 35 N -3.84 0.58 -3.73 0.16 8.25 0.21 -4.79 115.22 112.06 2emi n HIS 35 Ca 0.03 -0.25 -0.13 0.00 -0.26 0.00 0.00 57.72 57.11 2emi n HIS 35 Cb 0.39 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.33 2emi n HIS 35 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2emi s ARG 36 N -1.61 0.48 -0.01 -0.41 1.70 0.16 -4.93 118.95 114.33 2emi s ARG 36 Ca 0.23 0.61 -0.00 0.00 -0.47 0.00 0.00 55.73 56.10 2emi s ARG 36 Cb 0.14 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2emi s ARG 36 CO 0.13 -0.07 0.01 0.41 -1.08 0.00 0.00 175.30 174.70 2emi n GLY 37 N 2.99 0.94 3.06 3.88 0.00 -1.26 -4.83 105.19 109.97 2emi n GLY 37 Ca -0.14 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 2emi n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2emi s GLU 38 N -4.99 0.53 -0.95 1.61 2.12 -1.26 -5.08 118.70 110.68 2emi s GLU 38 Ca 0.00 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 2emi s GLU 38 Cb -0.00 -0.22 0.24 0.00 0.26 0.00 0.00 34.13 34.40 2emi s GLU 38 CO 0.01 0.03 0.87 0.21 -0.54 0.00 0.00 175.26 175.83 2emi s LYS 39 N -1.81 3.53 -0.42 4.30 2.36 -1.26 -5.03 119.74 121.41 2emi s LYS 39 Ca -0.09 -3.23 -0.28 0.00 -2.55 0.00 0.00 55.97 49.82 2emi s LYS 39 Cb -0.08 -4.13 -0.01 0.00 -1.05 0.00 0.00 37.83 32.55 2emi s LYS 39 CO -0.00 -1.26 1.74 -1.25 1.55 0.00 0.00 175.35 176.13 2emi s PRO 40 N -1.27 3.20 -0.09 4.03 0.04 -1.26 -4.98 135.00 134.67 2emi s PRO 40 Ca 0.28 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 2emi s PRO 40 Cb -0.08 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 2emi s PRO 40 CO -0.11 -2.02 0.82 0.45 0.04 0.00 0.00 177.00 176.18 2emi s SER 41 N 6.19 7.07 0.00 6.66 0.15 -1.26 -3.65 113.70 128.85 2emi s SER 41 Ca 0.73 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2emi s SER 41 Cb -0.18 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2emi s SER 41 CO 0.30 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2emi n GLY 42 N 3.19 2.21 0.00 9.45 0.00 -1.26 -4.76 105.19 114.02 2emi n GLY 42 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.36 2emi n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2emi n PRO 43 N 0.00 0.49 -0.26 1.61 -0.04 -1.26 -4.06 135.00 131.48 2emi n PRO 43 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2emi n PRO 43 Cb 0.00 -1.36 0.17 0.00 -0.04 0.00 0.00 33.50 32.26 2emi n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2emi n SER 44 N -0.86 -0.16 -4.45 3.54 7.64 -1.24 -3.37 113.62 114.71 2emi n SER 44 Ca 0.09 1.26 -0.44 0.00 1.01 0.00 0.00 58.87 60.79 2emi n SER 44 Cb 0.04 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 2emi n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2emi s SER 45 N -5.09 6.19 0.00 6.43 0.15 -1.26 -5.13 113.70 115.00 2emi s SER 45 Ca -0.10 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2emi s SER 45 Cb 0.21 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2emi s SER 45 CO 0.57 -0.70 0.43 0.61 1.20 0.00 0.00 173.24 175.35