#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 6.57 -0.46 1.61 0.01 -1.26 -4.88 113.70 115.29 2emi s SER 2 Ca 0.00 -2.08 0.04 0.00 1.31 0.00 0.00 55.95 55.22 2emi s SER 2 Cb 0.00 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.77 2emi s SER 2 CO 0.00 -1.45 0.20 -0.55 0.41 0.00 0.00 173.24 171.85 2emi s SER 3 N 4.70 4.39 -0.31 2.44 0.15 -1.26 -4.88 113.70 118.93 2emi s SER 3 Ca 0.53 -2.72 0.03 0.00 0.70 0.00 0.00 55.95 54.50 2emi s SER 3 Cb 0.02 -1.57 0.24 0.00 -1.71 0.00 0.00 66.02 63.00 2emi s SER 3 CO 0.03 -0.28 1.31 0.61 1.20 0.00 0.00 173.24 176.12 2emi n GLY 4 N 3.50 -1.47 3.10 9.45 0.00 -1.26 -5.15 105.19 113.36 2emi n GLY 4 Ca 0.05 0.66 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 2emi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2emi s SER 5 N -0.08 2.53 -0.20 1.61 0.01 -1.26 -5.11 113.70 111.19 2emi s SER 5 Ca 0.15 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 2emi s SER 5 Cb 0.22 -1.15 0.15 0.00 0.21 0.00 0.00 66.02 65.45 2emi s SER 5 CO -0.15 0.06 1.12 -0.55 0.41 0.00 0.00 173.24 174.13 2emi s SER 6 N 0.76 -0.25 0.00 2.44 0.15 -1.26 -5.18 113.70 110.36 2emi s SER 6 Ca -0.11 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2emi s SER 6 Cb -0.16 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2emi s SER 6 CO 0.02 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2emi n GLY 7 N 0.59 3.64 3.12 9.45 0.00 -1.26 -5.11 105.19 115.62 2emi n GLY 7 Ca -0.06 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 2emi n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2emi s THR 8 N -2.35 1.35 0.00 2.61 -1.32 -1.26 -5.09 115.64 109.58 2emi s THR 8 Ca 0.00 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 2emi s THR 8 Cb 0.00 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 2emi s THR 8 CO 0.00 0.39 0.00 0.61 -2.21 0.00 0.00 174.62 173.41 2emi n GLY 9 N 3.12 3.51 0.59 6.08 0.00 -1.26 -5.04 105.19 112.19 2emi n GLY 9 Ca -0.18 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.14 0.18 -4.42 1.61 -0.58 -1.26 -5.06 120.64 109.96 2emi n GLU 10 Ca 0.00 0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 2emi n GLU 10 Cb 0.00 -0.87 -0.13 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.15 1.26 0.15 3.49 6.06 -1.26 -5.15 118.95 121.34 2emi s ARG 11 Ca -0.11 -1.12 -0.04 0.00 -2.50 0.00 0.00 55.73 51.95 2emi s ARG 11 Cb 0.04 -1.51 -0.03 0.00 0.06 0.00 0.00 34.95 33.52 2emi s ARG 11 CO 0.15 0.36 0.15 -3.38 -2.50 0.00 0.00 175.30 170.09 2emi s HIS 12 N -1.03 0.66 -0.44 5.12 -3.43 -1.26 -5.11 115.29 109.80 2emi s HIS 12 Ca 0.08 -1.03 -0.26 0.00 -0.80 0.00 0.00 55.06 53.04 2emi s HIS 12 Cb -0.10 -0.30 0.02 0.00 -1.43 0.00 0.00 32.58 30.78 2emi s HIS 12 CO 0.04 -0.61 0.97 0.71 -2.00 0.00 0.00 174.74 173.85 2emi s TYR 13 N -4.01 2.94 -0.11 0.38 2.02 -1.26 -4.91 117.35 112.40 2emi s TYR 13 Ca 0.21 0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 57.42 2emi s TYR 13 Cb 0.06 -3.99 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 2emi s TYR 13 CO 0.01 -1.07 0.06 -2.00 -1.57 0.00 0.00 175.55 170.99 2emi s GLU 14 N 3.84 3.31 0.00 -0.62 2.12 -1.26 -1.74 118.70 124.36 2emi s GLU 14 Ca 0.40 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 2emi s GLU 14 Cb -0.10 -3.01 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 2emi s GLU 14 CO 0.26 0.67 1.84 0.00 -0.54 0.00 0.00 175.26 177.48 2emi n SER 16 N 7.29 2.97 0.00 0.00 3.41 -1.26 -2.39 113.62 123.65 2emi n SER 16 Ca 0.19 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 2emi n SER 16 Cb 0.42 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2emi n GLU 17 N 0.12 0.00 0.00 4.33 -0.58 -1.26 -4.96 120.64 118.29 2emi n GLU 17 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2emi n GLU 17 Cb 0.72 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.73 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 2.64 0.44 3.42 0.00 0.00 -1.00 -5.06 105.19 105.64 2emi n GLY 19 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 3.27 0.08 1.61 2.20 -1.26 -4.86 119.74 120.79 2emi s LYS 20 Ca 0.00 -0.65 -0.17 0.00 -0.36 0.00 0.00 55.97 54.79 2emi s LYS 20 Cb 0.00 -2.65 -0.07 0.00 -1.51 0.00 0.00 37.83 33.61 2emi s LYS 20 CO 0.00 0.31 0.53 0.00 -0.36 0.00 0.00 175.35 175.83 2emi s ALA 21 N 0.12 3.61 0.30 3.13 0.00 -1.26 -0.11 121.76 127.54 2emi s ALA 21 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2emi s ALA 21 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2emi s ALA 21 CO 0.04 0.43 0.12 1.19 0.00 0.00 0.00 175.76 177.54 2emi n PHE 22 N 1.47 0.04 -0.10 0.00 3.01 -0.71 -5.00 117.46 116.17 2emi n PHE 22 Ca -0.10 -1.94 -0.18 0.00 1.01 0.00 0.00 57.45 56.24 2emi n PHE 22 Cb 0.51 0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.92 2emi n PHE 22 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 2emi n ILE 23 N -0.66 1.12 -4.26 4.37 3.06 -1.26 -4.01 119.36 117.72 2emi n ILE 23 Ca -0.03 -0.35 -0.23 0.00 -2.50 0.00 0.00 62.75 59.64 2emi n ILE 23 Cb 0.45 -1.49 -0.12 0.00 0.54 0.00 0.00 39.64 39.01 2emi n ILE 23 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2emi s GLN 24 N -2.38 1.07 0.26 9.51 -0.21 -1.26 -4.74 119.66 121.90 2emi s GLN 24 Ca -0.28 -1.13 -0.02 0.00 0.02 0.00 0.00 55.36 53.96 2emi s GLN 24 Cb 0.09 -1.27 0.53 0.00 1.00 0.00 0.00 33.01 33.37 2emi s GLN 24 CO 0.40 0.29 1.73 0.87 -2.12 0.00 0.00 175.29 176.46 2emi h LYS 25 N 4.08 0.47 -0.01 2.91 1.79 -1.95 -1.33 116.57 122.52 2emi h LYS 25 Ca -0.45 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2emi h LYS 25 Cb 1.18 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 2emi h LYS 25 CO 0.40 0.31 -0.10 0.77 -1.08 0.00 0.00 179.45 179.75 2emi h SER 26 N 0.48 -0.29 -0.88 0.86 0.02 -2.00 -0.71 113.55 111.03 2emi h SER 26 Ca 0.46 0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.58 2emi h SER 26 Cb 0.73 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.32 2emi h SER 26 CO -0.42 -0.14 0.57 0.74 -1.14 0.00 0.00 176.83 176.43 2emi h THR 27 N -0.17 0.87 0.23 -2.27 2.02 -1.68 -2.33 112.91 109.57 2emi h THR 27 Ca 0.04 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2emi h THR 27 Cb 0.22 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2emi h THR 27 CO -0.11 0.13 -0.11 0.25 0.37 0.00 0.00 175.52 176.06 2emi h LEU 28 N 0.73 -0.26 -0.77 2.58 5.85 -0.69 -3.22 115.31 119.52 2emi h LEU 28 Ca 0.43 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 59.08 2emi h LEU 28 Cb 0.63 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.59 2emi h LEU 28 CO -0.20 0.15 -0.05 0.77 -0.34 0.00 0.00 178.44 178.78 2emi h SER 29 N -0.72 -0.46 -1.11 1.25 4.64 -0.65 0.69 113.55 117.20 2emi h SER 29 Ca -0.03 0.21 0.31 0.00 -0.47 0.00 0.00 61.79 61.80 2emi h SER 29 Cb 0.49 0.39 -0.07 0.00 -0.31 0.00 0.00 62.40 62.90 2emi h SER 29 CO 0.05 -0.21 0.75 0.24 -0.87 0.00 0.00 176.83 176.79 2emi h MET 30 N 0.07 0.20 0.00 4.77 2.86 -1.45 -2.03 114.93 119.34 2emi h MET 30 Ca 0.41 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.99 2emi h MET 30 Cb 0.72 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2emi h MET 30 CO -0.72 0.13 -0.49 1.25 1.06 0.00 0.00 176.91 178.14 2emi h HIS 31 N 0.20 0.00 -1.14 -0.22 -0.00 0.22 -3.35 115.15 110.86 2emi h HIS 31 Ca 0.58 0.00 0.33 0.00 -0.00 0.00 0.00 60.37 61.29 2emi h HIS 31 Cb 1.87 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 29.24 2emi h HIS 31 CO -0.00 0.45 1.20 1.04 -0.00 0.00 0.00 177.93 180.62 2emi n GLN 32 N -4.61 0.01 -0.23 5.26 6.02 -0.02 0.43 117.38 124.23 2emi n GLN 32 Ca -0.11 0.98 0.04 0.00 -0.01 0.00 0.00 57.00 57.89 2emi n GLN 32 Cb 0.32 -2.40 0.16 0.00 1.02 0.00 0.00 30.24 29.34 2emi n GLN 32 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2emi h ARG 33 N 0.00 0.32 -0.19 -1.09 0.11 -1.52 0.36 114.38 112.36 2emi h ARG 33 Ca 0.54 -0.02 0.06 0.00 0.10 0.00 0.00 59.98 60.66 2emi h ARG 33 Cb 2.93 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 33.93 2emi h ARG 33 CO -0.01 0.21 0.46 -0.84 0.10 0.00 0.00 179.97 179.90 2emi h ILE 34 N 0.33 0.13 -0.30 0.08 3.07 -0.27 0.88 117.51 121.44 2emi h ILE 34 Ca 0.38 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.79 2emi h ILE 34 Cb 0.59 0.58 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 2emi h ILE 34 CO -0.43 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.08 2emi n HIS 35 N -3.17 0.86 0.00 0.16 8.25 0.12 -3.95 115.22 117.50 2emi n HIS 35 Ca 0.03 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 2emi n HIS 35 Cb 0.57 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2emi n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2emi n ARG 36 N 0.37 0.60 0.00 -0.41 3.00 0.30 -4.97 116.66 115.56 2emi n ARG 36 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 2emi n ARG 36 Cb 0.60 -0.70 0.00 0.00 0.00 0.00 0.00 32.46 32.36 2emi n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2emi n GLY 37 N 1.98 -0.57 3.50 -0.13 0.00 -0.90 -4.99 105.19 104.07 2emi n GLY 37 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2emi n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emi s GLU 38 N -0.53 1.75 0.05 1.61 0.41 -1.26 -5.13 118.70 115.60 2emi s GLU 38 Ca 0.00 -1.98 0.03 0.00 -0.41 0.00 0.00 54.97 52.61 2emi s GLU 38 Cb 0.00 -1.07 -0.02 0.00 -1.78 0.00 0.00 34.13 31.26 2emi s GLU 38 CO 0.00 -0.16 -0.10 0.15 -0.49 0.00 0.00 175.26 174.66 2emi s LYS 39 N -3.84 0.64 0.51 1.61 1.02 -1.26 -4.64 119.74 113.79 2emi s LYS 39 Ca 0.35 -0.78 0.33 0.00 0.02 0.00 0.00 55.97 55.89 2emi s LYS 39 Cb 0.09 -0.51 1.36 0.00 -0.52 0.00 0.00 37.83 38.24 2emi s LYS 39 CO 0.16 0.11 1.96 -1.00 -0.92 0.00 0.00 175.35 175.66 2emi h PRO 40 N 4.57 0.00 -6.26 -1.68 0.13 -2.02 -3.43 132.00 123.31 2emi h PRO 40 Ca -0.37 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 2emi h PRO 40 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2emi h PRO 40 CO 0.41 0.00 1.15 0.45 -0.23 0.00 0.00 178.00 179.78 2emi s SER 41 N -5.45 6.37 0.13 1.44 0.15 -1.26 -4.99 113.70 110.09 2emi s SER 41 Ca 0.01 1.79 0.04 0.00 0.70 0.00 0.00 55.95 58.50 2emi s SER 41 Cb 0.09 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2emi s SER 41 CO 0.51 -1.24 -0.10 -0.83 1.20 0.00 0.00 173.24 172.79 2emi s GLY 42 N 4.35 0.99 -0.09 9.45 0.00 -1.26 -5.11 107.32 115.65 2emi s GLY 42 Ca 0.74 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 2emi s GLY 42 CO 0.30 -1.47 1.52 2.56 0.00 0.00 0.00 173.10 176.01 2emi s PRO 43 N -3.40 4.20 0.56 2.90 0.04 -1.26 -5.00 135.00 133.04 2emi s PRO 43 Ca 0.13 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2emi s PRO 43 Cb 0.01 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 2emi s PRO 43 CO 0.00 -0.79 1.05 -1.54 0.04 0.00 0.00 177.00 175.76 2emi s SER 44 N 2.85 5.98 -0.66 6.66 1.04 -1.26 -4.98 113.70 123.33 2emi s SER 44 Ca 0.67 1.85 -0.24 0.00 0.48 0.00 0.00 55.95 58.71 2emi s SER 44 Cb -0.29 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.34 2emi s SER 44 CO 0.25 -1.03 1.05 -0.44 0.98 0.00 0.00 173.24 174.04 2emi s SER 45 N -2.52 6.21 0.00 7.02 0.01 -1.26 -5.36 113.70 117.80 2emi s SER 45 Ca 0.65 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2emi s SER 45 Cb -0.16 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2emi s SER 45 CO 0.31 -1.51 0.00 0.61 0.41 0.00 0.00 173.24 173.07