#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi n SER 2 N 0.00 1.93 -3.46 1.61 2.88 -1.26 -5.02 113.62 110.30 2emi n SER 2 Ca 0.00 0.36 -0.21 0.00 -1.33 0.00 0.00 58.87 57.70 2emi n SER 2 Cb 0.00 -0.79 0.08 0.00 -0.75 0.00 0.00 64.21 62.76 2emi n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2emi n SER 3 N -4.41 -4.61 -2.79 -3.46 7.64 -1.26 -4.93 113.62 99.80 2emi n SER 3 Ca -0.27 -0.56 -0.02 0.00 1.01 0.00 0.00 58.87 59.03 2emi n SER 3 Cb 0.62 -4.97 0.04 0.00 -1.01 0.00 0.00 64.21 58.90 2emi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emi n GLY 4 N -1.64 1.72 3.55 0.23 0.00 -1.26 -5.05 105.19 102.73 2emi n GLY 4 Ca -0.11 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 2emi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2emi s SER 5 N -3.63 5.03 0.09 1.61 1.04 -1.26 -4.84 113.70 111.74 2emi s SER 5 Ca 0.27 0.09 -0.32 0.00 0.48 0.00 0.00 55.95 56.47 2emi s SER 5 Cb 0.36 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.80 2emi s SER 5 CO -0.02 -2.66 1.60 -1.28 0.98 0.00 0.00 173.24 171.86 2emi h SER 6 N 14.23 -1.08 -3.19 7.02 0.87 -2.04 -3.43 113.55 125.93 2emi h SER 6 Ca -0.13 0.09 -0.58 0.00 -1.23 0.00 0.00 61.79 59.94 2emi h SER 6 Cb 1.12 0.36 0.15 0.00 -0.44 0.00 0.00 62.40 63.59 2emi h SER 6 CO 1.19 -0.55 0.05 0.61 -0.53 0.00 0.00 176.83 177.60 2emi n GLY 7 N -1.50 -0.48 0.11 5.77 0.00 -1.26 -4.94 105.19 102.89 2emi n GLY 7 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 2emi n GLY 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2emi h THR 8 N 0.99 1.20 0.00 2.61 1.35 -2.04 -3.49 112.91 113.53 2emi h THR 8 Ca -0.46 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2emi h THR 8 Cb 1.36 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.56 2emi h THR 8 CO 0.53 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 2emi n GLY 9 N 1.64 1.35 3.73 5.82 0.00 -1.26 -5.14 105.19 111.34 2emi n GLY 9 Ca -0.23 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2emi n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emi s GLU 10 N 0.00 4.58 -0.64 1.61 2.02 -1.26 -5.02 118.70 119.99 2emi s GLU 10 Ca 0.00 1.24 0.05 0.00 0.02 0.00 0.00 54.97 56.28 2emi s GLU 10 Cb 0.00 -3.38 0.17 0.00 0.10 0.00 0.00 34.13 31.02 2emi s GLU 10 CO 0.00 0.22 0.47 2.89 0.02 0.00 0.00 175.26 178.85 2emi n ARG 11 N 2.93 1.46 -4.20 1.61 0.00 -1.26 -5.07 116.66 112.13 2emi n ARG 11 Ca 0.00 -4.19 -0.17 0.00 -0.00 0.00 0.00 57.85 53.50 2emi n ARG 11 Cb 0.50 -2.14 -0.07 0.00 -0.00 0.00 0.00 32.46 30.75 2emi n ARG 11 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2emi s HIS 12 N -1.14 1.42 -0.89 2.89 -3.43 -1.26 -5.10 115.29 107.78 2emi s HIS 12 Ca 0.27 -1.48 -0.18 0.00 -0.80 0.00 0.00 55.06 52.87 2emi s HIS 12 Cb -0.02 -0.47 0.14 0.00 -1.43 0.00 0.00 32.58 30.81 2emi s HIS 12 CO -0.18 -0.93 1.04 0.71 -2.00 0.00 0.00 174.74 173.39 2emi s TYR 13 N -3.44 3.21 -0.21 0.38 2.02 -1.23 -4.99 117.35 113.10 2emi s TYR 13 Ca 0.37 -1.45 -0.12 0.00 -0.37 0.00 0.00 57.07 55.50 2emi s TYR 13 Cb 0.02 -4.19 -0.05 0.00 -0.40 0.00 0.00 41.96 37.34 2emi s TYR 13 CO 0.23 -1.40 0.22 -2.00 -1.57 0.00 0.00 175.55 171.03 2emi s GLU 14 N 2.29 4.16 0.01 -0.62 2.12 -1.26 -2.10 118.70 123.29 2emi s GLU 14 Ca 0.29 -0.10 -0.32 0.00 0.36 0.00 0.00 54.97 55.20 2emi s GLU 14 Cb -0.07 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.73 2emi s GLU 14 CO -0.08 0.14 1.91 0.00 -0.54 0.00 0.00 175.26 176.68 2emi n SER 16 N 6.82 5.26 0.00 0.00 2.88 -1.26 -2.71 113.62 124.60 2emi n SER 16 Ca 0.21 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 2emi n SER 16 Cb 0.36 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 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 0.99 0.00 -0.06 -1.46 -0.58 -1.26 -4.98 120.64 113.29 2emi n GLU 17 Ca 0.09 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.70 2emi n GLU 17 Cb 0.55 -0.26 -0.05 0.00 -0.57 0.00 0.00 31.44 31.12 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 2.19 0.79 3.57 0.00 0.00 -1.10 -5.08 105.19 105.56 2emi n GLY 19 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2emi n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emi s LYS 20 N 0.00 3.60 -0.25 1.61 2.20 -1.26 -4.90 119.74 120.75 2emi s LYS 20 Ca 0.00 -0.45 -0.10 0.00 -0.36 0.00 0.00 55.97 55.06 2emi s LYS 20 Cb 0.00 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 2emi s LYS 20 CO 0.00 0.35 0.16 0.00 -0.36 0.00 0.00 175.35 175.50 2emi s ALA 21 N 0.09 3.56 0.05 3.13 0.00 -1.26 -0.58 121.76 126.74 2emi s ALA 21 Ca 0.01 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.10 2emi s ALA 21 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 2emi s ALA 21 CO 0.02 -0.28 -0.16 -0.06 0.00 0.00 0.00 175.76 175.28 2emi s PHE 22 N 1.23 2.60 0.09 0.00 0.40 -0.89 -4.99 117.98 116.41 2emi s PHE 22 Ca 0.07 -0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 56.03 2emi s PHE 22 Cb -0.14 -1.47 -0.18 0.00 0.51 0.00 0.00 43.02 41.74 2emi s PHE 22 CO 0.06 0.29 1.26 0.97 0.70 0.00 0.00 175.22 178.50 2emi h ILE 23 N 3.86 1.29 -3.19 0.64 6.09 -1.98 -3.26 117.51 120.95 2emi h ILE 23 Ca -0.48 -2.01 -0.63 0.00 -1.37 0.00 0.00 64.86 60.37 2emi h ILE 23 Cb 1.16 2.11 -0.14 0.00 0.47 0.00 0.00 36.82 40.41 2emi h ILE 23 CO 0.48 0.63 -0.55 -1.10 -3.07 0.00 0.00 178.15 174.54 2emi s GLN 24 N -3.64 3.76 0.20 2.19 -0.21 -1.26 -4.87 119.66 115.84 2emi s GLN 24 Ca -0.11 -0.31 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 2emi s GLN 24 Cb 0.08 -3.16 0.22 0.00 1.00 0.00 0.00 33.01 31.15 2emi s GLN 24 CO 0.90 0.42 1.78 0.87 -2.12 0.00 0.00 175.29 177.14 2emi h LYS 25 N 6.19 0.53 -0.75 2.91 1.57 -1.95 -1.93 116.57 123.14 2emi h LYS 25 Ca -0.42 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.46 2emi h LYS 25 Cb 1.18 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.28 2emi h LYS 25 CO 0.67 0.35 0.32 1.03 -0.57 0.00 0.00 179.45 181.24 2emi h SER 26 N 0.54 0.32 -0.15 0.86 0.87 -1.99 0.27 113.55 114.29 2emi h SER 26 Ca 0.28 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.98 2emi h SER 26 Cb 0.23 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2emi h SER 26 CO -0.21 0.14 0.12 0.74 -0.53 0.00 0.00 176.83 177.09 2emi h THR 27 N 0.48 0.71 0.00 2.23 2.02 -1.77 -1.53 112.91 115.05 2emi h THR 27 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2emi h THR 27 Cb 0.58 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2emi h THR 27 CO -0.38 0.00 -0.11 0.25 0.37 0.00 0.00 175.52 175.66 2emi h LEU 28 N 0.00 0.00 -1.14 2.58 5.85 -0.44 -2.91 115.31 119.25 2emi h LEU 28 Ca 0.07 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.10 2emi h LEU 28 Cb 0.32 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.22 2emi h LEU 28 CO -0.00 0.52 0.64 0.28 -0.34 0.00 0.00 178.44 179.54 2emi h SER 29 N -0.94 0.49 0.99 1.25 0.02 -1.06 1.33 113.55 115.63 2emi h SER 29 Ca 0.00 0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 2emi h SER 29 Cb 0.11 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2emi h SER 29 CO 0.00 -0.06 -0.54 0.00 -1.14 0.00 0.00 176.83 175.09 2emi h MET 30 N 0.35 0.00 0.03 3.45 -0.00 -1.42 -3.29 114.93 114.05 2emi h MET 30 Ca 0.70 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 60.33 2emi h MET 30 Cb 1.71 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 33.31 2emi h MET 30 CO -0.49 0.54 -0.32 1.25 -0.00 0.00 0.00 176.91 177.89 2emi h HIS 31 N 0.00 0.27 -0.35 -0.10 -0.00 0.18 -3.23 115.15 111.91 2emi h HIS 31 Ca -0.01 -0.17 0.10 0.00 -0.00 0.00 0.00 60.37 60.30 2emi h HIS 31 Cb 1.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.55 2emi h HIS 31 CO 0.00 1.03 0.89 1.96 -0.00 0.00 0.00 177.93 181.81 2emi h GLN 32 N -0.57 0.00 -0.98 5.26 4.20 -0.60 0.29 115.11 122.71 2emi h GLN 32 Ca -0.05 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.83 2emi h GLN 32 Cb 1.14 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.83 2emi h GLN 32 CO 0.06 0.00 0.61 0.07 -0.67 0.00 0.00 178.83 178.90 2emi h ARG 33 N 0.00 0.76 0.00 1.46 0.11 -1.68 0.41 114.38 115.44 2emi h ARG 33 Ca 0.17 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2emi h ARG 33 Cb 1.94 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.84 2emi h ARG 33 CO -0.00 0.50 0.06 -0.84 0.10 0.00 0.00 179.97 179.79 2emi h ILE 34 N 0.78 0.00 -0.71 0.08 3.07 -0.66 0.38 117.51 120.45 2emi h ILE 34 Ca 0.53 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.94 2emi h ILE 34 Cb 0.79 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 2emi h ILE 34 CO -0.30 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.21 2emi n HIS 35 N -2.49 1.07 -3.43 0.16 8.25 0.14 -4.72 115.22 114.20 2emi n HIS 35 Ca -0.02 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.51 2emi n HIS 35 Cb 0.10 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2emi n HIS 35 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2emi s ARG 36 N -1.19 3.83 0.00 -0.41 3.00 0.13 -5.04 118.95 119.27 2emi s ARG 36 Ca 0.49 -3.14 0.00 0.00 0.00 0.00 0.00 55.73 53.08 2emi s ARG 36 Cb 0.27 -4.35 0.00 0.00 0.00 0.00 0.00 34.95 30.87 2emi s ARG 36 CO 0.31 -1.25 0.00 0.41 0.00 0.00 0.00 175.30 174.77 2emi n GLY 37 N 2.75 -2.72 3.75 -3.53 0.00 -1.26 -4.91 105.19 99.27 2emi n GLY 37 Ca 0.22 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.24 -1.38 1.61 2.56 -1.26 -4.00 118.70 117.48 2emi s GLU 38 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 54.97 55.52 2emi s GLU 38 Cb 0.00 -1.83 0.00 0.00 2.00 0.00 0.00 34.13 34.30 2emi s GLU 38 CO 0.00 -2.19 0.45 1.63 -0.56 0.00 0.00 175.26 174.59 2emi n LYS 39 N -3.81 -2.98 -0.01 4.30 4.01 -1.26 -4.89 118.16 113.51 2emi n LYS 39 Ca 0.06 0.40 -0.13 0.00 -0.51 0.00 0.00 58.31 58.13 2emi n LYS 39 Cb 0.57 -4.43 -0.10 0.00 -0.51 0.00 0.00 35.03 30.56 2emi n LYS 39 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2emi h PRO 40 N -1.86 0.00 -1.49 1.97 0.13 -1.91 -3.46 132.00 125.37 2emi h PRO 40 Ca -0.64 -0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.62 2emi h PRO 40 Cb 1.37 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.28 2emi h PRO 40 CO 0.61 0.49 0.09 -1.54 -0.23 0.00 0.00 178.00 177.42 2emi s SER 41 N -5.69 -0.81 -0.59 1.44 1.04 -1.26 -5.03 113.70 102.80 2emi s SER 41 Ca -0.16 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 2emi s SER 41 Cb 0.02 1.84 0.01 0.00 0.10 0.00 0.00 66.02 67.99 2emi s SER 41 CO 0.67 -0.16 0.65 0.61 0.98 0.00 0.00 173.24 175.99 2emi n GLY 42 N 4.99 -1.19 0.14 7.32 0.00 -1.26 -4.95 105.19 110.25 2emi n GLY 42 Ca -0.12 0.88 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 2emi n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2emi h PRO 43 N 1.21 0.38 -6.99 1.61 0.13 -1.96 -3.47 132.00 122.92 2emi h PRO 43 Ca -0.08 -0.20 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 2emi h PRO 43 Cb 1.05 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 31.91 2emi h PRO 43 CO 0.25 0.76 -0.90 -1.13 -0.23 0.00 0.00 178.00 176.76 2emi n SER 44 N -4.53 -1.65 -3.80 1.44 3.41 -1.26 -4.91 113.62 102.31 2emi n SER 44 Ca -0.06 -1.16 -0.12 0.00 -0.26 0.00 0.00 58.87 57.26 2emi n SER 44 Cb 0.37 -2.06 -0.10 0.00 -0.26 0.00 0.00 64.21 62.16 2emi n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2emi s SER 45 N -3.56 -0.16 0.00 4.04 0.01 -1.26 -5.30 113.70 107.47 2emi s SER 45 Ca 0.59 0.18 0.01 0.00 1.31 0.00 0.00 55.95 58.05 2emi s SER 45 Cb -0.34 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.35 2emi s SER 45 CO 0.98 -0.27 0.58 0.61 0.41 0.00 0.00 173.24 175.55