#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 6.79 -1.56 1.61 0.15 -1.26 -4.58 113.70 114.85 2emi s SER 2 Ca 0.00 -2.70 -0.13 0.00 0.70 0.00 0.00 55.95 53.82 2emi s SER 2 Cb 0.00 -2.23 0.10 0.00 -1.71 0.00 0.00 66.02 62.18 2emi s SER 2 CO 0.00 -0.59 0.87 -0.24 1.20 0.00 0.00 173.24 174.48 2emi n SER 3 N 4.10 -3.83 -2.38 5.45 2.88 -1.26 -4.83 113.62 113.75 2emi n SER 3 Ca 0.15 -0.87 -0.22 0.00 -1.33 0.00 0.00 58.87 56.61 2emi n SER 3 Cb 0.47 -3.51 -0.10 0.00 -0.75 0.00 0.00 64.21 60.31 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 -1.62 3.77 2.26 0.46 0.00 -1.26 -4.50 105.19 104.30 2emi n GLY 4 Ca 0.01 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 2emi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2emi n SER 5 N 1.87 6.43 -4.53 1.61 7.64 -1.26 -4.87 113.62 120.51 2emi n SER 5 Ca 0.49 -3.77 -0.41 0.00 1.01 0.00 0.00 58.87 56.19 2emi n SER 5 Cb 0.68 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 2emi n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2emi n SER 6 N -0.79 2.17 -3.87 6.43 7.64 -1.26 -4.90 113.62 119.04 2emi n SER 6 Ca 0.53 -0.09 -0.30 0.00 1.01 0.00 0.00 58.87 60.03 2emi n SER 6 Cb 0.75 -1.42 -0.15 0.00 -1.01 0.00 0.00 64.21 62.38 2emi n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2emi s GLY 7 N 10.03 1.28 -0.06 0.23 0.00 -1.26 -5.10 107.32 112.43 2emi s GLY 7 Ca 1.06 -1.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.17 2emi s GLY 7 CO 0.36 1.17 0.15 -1.59 0.00 0.00 0.00 173.10 173.19 2emi s THR 8 N 1.42 -0.01 -0.37 0.90 2.01 -1.26 -5.11 115.64 113.22 2emi s THR 8 Ca 0.02 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 2emi s THR 8 Cb -0.18 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 2emi s THR 8 CO -0.12 0.02 1.85 -0.83 -0.69 0.00 0.00 174.62 174.85 2emi s GLY 9 N 0.39 0.65 -0.01 4.40 0.00 -1.26 -4.74 107.32 106.76 2emi s GLY 9 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2emi s GLY 9 CO -0.02 3.35 -0.00 -1.84 0.00 0.00 0.00 173.10 174.59 2emi n GLU 10 N 8.57 1.95 -1.88 2.90 0.28 -1.26 -5.02 120.64 126.18 2emi n GLU 10 Ca 0.23 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.82 2emi n GLU 10 Cb 0.48 -1.02 -0.03 0.00 1.43 0.00 0.00 31.44 32.30 2emi n GLU 10 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2emi s ARG 11 N -2.02 4.19 0.50 3.44 3.00 -1.26 -4.92 118.95 121.88 2emi s ARG 11 Ca -0.01 2.42 -0.20 0.00 0.00 0.00 0.00 55.73 57.94 2emi s ARG 11 Cb 0.00 -3.29 -0.11 0.00 0.00 0.00 0.00 34.95 31.55 2emi s ARG 11 CO 0.03 -0.68 0.43 -2.39 0.00 0.00 0.00 175.30 172.68 2emi n HIS 12 N 4.54 -0.98 -2.25 -0.53 1.44 -1.26 -4.88 115.22 111.30 2emi n HIS 12 Ca 0.15 0.51 -0.39 0.00 -2.01 0.00 0.00 57.72 55.97 2emi n HIS 12 Cb 0.38 -1.92 -0.02 0.00 0.12 0.00 0.00 29.99 28.55 2emi n HIS 12 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2emi s TYR 13 N -1.67 3.11 -0.05 -1.40 1.51 -1.22 -4.93 117.35 112.70 2emi s TYR 13 Ca 0.65 1.52 0.02 0.00 -1.01 0.00 0.00 57.07 58.24 2emi s TYR 13 Cb -0.52 -3.48 0.02 0.00 -0.11 0.00 0.00 41.96 37.87 2emi s TYR 13 CO 0.58 -1.43 -0.08 -1.21 -1.11 0.00 0.00 175.55 172.30 2emi s GLU 14 N -2.02 1.18 -0.28 -0.62 0.41 -1.26 -2.49 118.70 113.62 2emi s GLU 14 Ca 0.53 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.57 2emi s GLU 14 Cb -0.34 -1.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.92 2emi s GLU 14 CO 0.44 -0.04 1.60 0.00 -0.49 0.00 0.00 175.26 176.77 2emi h SER 16 N 11.09 0.00 0.42 0.00 0.02 -1.94 0.74 113.55 123.88 2emi h SER 16 Ca -0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2emi h SER 16 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2emi h SER 16 CO 1.02 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 176.18 2emi h GLU 17 N 0.00 -0.54 0.00 3.45 3.07 -1.98 -3.41 114.58 115.16 2emi h GLU 17 Ca 0.00 0.04 -0.39 0.00 -0.50 0.00 0.00 59.36 58.50 2emi h GLU 17 Cb 0.41 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.38 2emi h GLU 17 CO 0.00 -0.36 -2.40 0.00 -1.40 0.00 0.00 179.01 174.85 2emi n GLY 19 N 1.91 1.90 3.70 0.00 0.00 0.26 -5.04 105.19 107.92 2emi n GLY 19 Ca -0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 2emi n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2emi s LYS 20 N 0.00 0.62 -0.08 1.61 -0.14 -1.23 -4.62 119.74 115.90 2emi s LYS 20 Ca 0.00 0.52 -0.03 0.00 -1.36 0.00 0.00 55.97 55.09 2emi s LYS 20 Cb 0.00 -1.76 0.04 0.00 -1.68 0.00 0.00 37.83 34.43 2emi s LYS 20 CO 0.00 -2.60 0.17 0.00 -0.76 0.00 0.00 175.35 172.16 2emi s ALA 21 N -3.01 -0.32 0.00 5.17 0.00 -1.26 -0.39 121.76 121.95 2emi s ALA 21 Ca 0.65 0.74 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2emi s ALA 21 Cb -0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2emi s ALA 21 CO 0.57 -0.23 -0.03 -0.06 0.00 0.00 0.00 175.76 176.01 2emi s PHE 22 N 1.38 0.24 0.10 0.00 0.40 -1.04 -5.04 117.98 114.01 2emi s PHE 22 Ca -0.07 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 55.99 2emi s PHE 22 Cb -0.11 -0.15 -0.11 0.00 0.51 0.00 0.00 43.02 43.15 2emi s PHE 22 CO -0.07 -0.03 1.36 0.97 0.70 0.00 0.00 175.22 178.16 2emi h ILE 23 N 5.00 1.30 -3.38 0.64 6.09 -1.98 -3.23 117.51 121.95 2emi h ILE 23 Ca -0.27 -1.68 -0.60 0.00 -1.37 0.00 0.00 64.86 60.93 2emi h ILE 23 Cb 1.20 1.76 -0.10 0.00 0.47 0.00 0.00 36.82 40.15 2emi h ILE 23 CO 0.49 0.54 0.36 -1.10 -3.07 0.00 0.00 178.15 175.37 2emi s GLN 24 N -4.08 4.10 0.29 2.19 -0.21 -1.26 -4.81 119.66 115.89 2emi s GLN 24 Ca -0.12 0.73 0.03 0.00 0.02 0.00 0.00 55.36 56.02 2emi s GLN 24 Cb 0.09 -3.67 0.63 0.00 1.00 0.00 0.00 33.01 31.05 2emi s GLN 24 CO 0.86 -0.53 1.80 -0.22 -2.12 0.00 0.00 175.29 175.08 2emi h LYS 25 N 7.86 0.80 -0.62 2.91 3.64 -2.00 -0.74 116.57 128.42 2emi h LYS 25 Ca -0.24 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 2emi h LYS 25 Cb 1.10 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 2emi h LYS 25 CO 0.85 0.53 0.36 1.03 -2.27 0.00 0.00 179.45 179.95 2emi h SER 26 N 0.83 0.56 -0.54 4.20 0.87 -1.97 -1.16 113.55 116.35 2emi h SER 26 Ca 0.53 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 61.21 2emi h SER 26 Cb 0.69 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 2emi h SER 26 CO -0.33 0.38 0.37 0.74 -0.53 0.00 0.00 176.83 177.46 2emi h THR 27 N 0.69 0.84 0.04 2.23 2.02 -1.54 -1.33 112.91 115.86 2emi h THR 27 Ca 0.26 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2emi h THR 27 Cb 0.10 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2emi h THR 27 CO -0.14 0.04 -0.02 0.25 0.37 0.00 0.00 175.52 176.02 2emi h LEU 28 N 0.23 -0.05 -1.16 2.58 5.85 -1.10 -2.75 115.31 118.91 2emi h LEU 28 Ca 0.25 -0.62 0.17 0.00 0.84 0.00 0.00 57.88 58.52 2emi h LEU 28 Cb 0.68 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 2emi h LEU 28 CO -0.05 0.67 0.61 -1.28 -0.34 0.00 0.00 178.44 178.04 2emi h SER 29 N -0.84 0.72 1.35 1.25 0.87 -0.87 0.65 113.55 116.67 2emi h SER 29 Ca -0.01 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2emi h SER 29 Cb 0.67 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2emi h SER 29 CO 0.01 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 2emi h MET 30 N 0.73 0.00 0.02 2.24 -0.00 -1.33 -3.29 114.93 113.30 2emi h MET 30 Ca 0.51 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.98 2emi h MET 30 Cb 0.83 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.40 2emi h MET 30 CO -0.28 0.00 -1.28 1.25 -0.00 0.00 0.00 176.91 176.60 2emi h HIS 31 N 0.00 0.07 -0.55 -0.10 -0.00 0.42 -3.35 115.15 111.64 2emi h HIS 31 Ca 0.00 -0.05 0.16 0.00 -0.00 0.00 0.00 60.37 60.48 2emi h HIS 31 Cb 0.68 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 2emi h HIS 31 CO 0.00 1.50 0.79 1.96 -0.00 0.00 0.00 177.93 182.18 2emi h GLN 32 N -0.85 0.00 -0.94 5.26 4.20 -0.60 0.16 115.11 122.33 2emi h GLN 32 Ca -0.34 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.54 2emi h GLN 32 Cb 1.39 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.07 2emi h GLN 32 CO -0.15 0.00 0.54 0.07 -0.67 0.00 0.00 178.83 178.62 2emi h ARG 33 N 0.00 0.70 0.00 1.46 0.11 -1.70 0.38 114.38 115.34 2emi h ARG 33 Ca 0.26 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2emi h ARG 33 Cb 1.84 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.76 2emi h ARG 33 CO -0.00 0.47 0.25 -0.84 0.10 0.00 0.00 179.97 179.95 2emi h ILE 34 N 0.73 0.00 0.01 0.08 3.07 -0.94 0.11 117.51 120.57 2emi h ILE 34 Ca 0.53 0.00 -0.35 0.00 1.55 0.00 0.00 64.86 66.59 2emi h ILE 34 Cb 0.77 0.59 -0.06 0.00 -0.27 0.00 0.00 36.82 37.85 2emi h ILE 34 CO -0.37 0.00 -2.17 1.41 -1.05 0.00 0.00 178.15 175.97 2emi n HIS 35 N -2.63 0.42 -2.65 0.16 8.25 0.13 -4.70 115.22 114.20 2emi n HIS 35 Ca -0.02 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 2emi n HIS 35 Cb 0.29 -1.07 -0.01 0.00 1.12 0.00 0.00 29.99 30.32 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 -2.53 3.87 0.47 -0.41 0.52 0.37 -4.93 118.95 116.32 2emi s ARG 36 Ca -0.14 -1.83 0.05 0.00 -0.52 0.00 0.00 55.73 53.28 2emi s ARG 36 Cb 0.07 -5.38 -0.02 0.00 0.52 0.00 0.00 34.95 30.14 2emi s ARG 36 CO 0.78 -2.14 0.17 0.20 0.02 0.00 0.00 175.30 174.33 2emi s GLY 37 N 4.19 2.56 0.18 -3.53 0.00 -1.26 -4.93 107.32 104.53 2emi s GLY 37 Ca 0.49 -1.44 -0.17 0.00 0.00 0.00 0.00 44.72 43.60 2emi s GLY 37 CO 0.01 -2.02 1.29 -2.21 0.00 0.00 0.00 173.10 170.17 2emi n GLU 38 N -1.35 -0.23 -3.87 2.90 4.07 -1.26 -4.56 120.64 116.35 2emi n GLU 38 Ca -0.07 1.28 -0.11 0.00 -0.06 0.00 0.00 57.16 58.20 2emi n GLU 38 Cb 0.65 -1.90 -0.10 0.00 -0.06 0.00 0.00 31.44 30.04 2emi n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2emi s LYS 39 N -5.72 0.49 1.03 5.31 1.02 -1.26 -5.17 119.74 115.44 2emi s LYS 39 Ca -0.11 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 2emi s LYS 39 Cb 0.16 0.20 0.21 0.00 -0.52 0.00 0.00 37.83 37.88 2emi s LYS 39 CO 0.58 -0.12 1.09 -1.25 -0.92 0.00 0.00 175.35 174.74 2emi s PRO 40 N -1.36 0.15 -0.06 -1.68 0.04 -1.26 -5.05 135.00 125.77 2emi s PRO 40 Ca -0.14 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 2emi s PRO 40 Cb -0.07 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2emi s PRO 40 CO 0.02 -2.90 -0.00 -1.12 0.04 0.00 0.00 177.00 173.03 2emi s SER 41 N -3.49 5.16 1.08 6.66 0.01 -1.26 -5.12 113.70 116.75 2emi s SER 41 Ca 0.66 0.10 -0.17 0.00 1.31 0.00 0.00 55.95 57.84 2emi s SER 41 Cb -0.18 -1.42 0.24 0.00 0.21 0.00 0.00 66.02 64.87 2emi s SER 41 CO 0.58 0.35 1.21 -0.83 0.41 0.00 0.00 173.24 174.96 2emi s GLY 42 N -1.04 1.67 -0.32 3.44 0.00 -1.26 -4.95 107.32 104.87 2emi s GLY 42 Ca 0.15 -1.04 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 2emi s GLY 42 CO 0.04 -0.22 1.68 2.56 0.00 0.00 0.00 173.10 177.15 2emi s PRO 43 N -5.62 3.50 0.36 2.90 0.04 -1.26 -5.00 135.00 129.93 2emi s PRO 43 Ca 0.72 1.39 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2emi s PRO 43 Cb -0.07 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2emi s PRO 43 CO 0.54 -1.66 0.15 -1.12 0.04 0.00 0.00 177.00 174.95 2emi s SER 44 N 5.19 4.56 -0.53 6.66 0.01 -1.26 -5.03 113.70 123.30 2emi s SER 44 Ca 0.74 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 2emi s SER 44 Cb -0.21 -0.63 0.31 0.00 0.21 0.00 0.00 66.02 65.70 2emi s SER 44 CO 0.32 -0.37 2.12 -1.54 0.41 0.00 0.00 173.24 174.18 2emi n SER 45 N -1.16 7.10 0.00 2.44 3.41 -1.26 -5.30 113.62 118.84 2emi n SER 45 Ca -0.02 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.13 2emi n SER 45 Cb 0.62 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49