#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uep n SER 2 N 0.00 0.00 -4.91 1.61 3.41 -1.26 -5.17 113.62 107.30 1uep n SER 2 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1uep n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1uep n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uep s SER 3 N 1.94 6.39 0.00 4.04 1.04 -1.26 -4.63 113.70 121.22 1uep s SER 3 Ca 0.00 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1uep s SER 3 Cb 0.00 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1uep s SER 3 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1uep n GLY 4 N -1.31 -1.58 2.37 7.32 0.00 -1.26 -4.86 105.19 105.87 1uep n GLY 4 Ca -0.02 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1uep n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uep n SER 5 N -0.19 -4.48 -4.64 1.61 7.64 -1.26 -4.94 113.62 107.35 1uep n SER 5 Ca 0.00 0.18 -0.49 0.00 1.01 0.00 0.00 58.87 59.57 1uep n SER 5 Cb 0.00 -3.84 -0.05 0.00 -1.01 0.00 0.00 64.21 59.31 1uep n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uep n SER 6 N -1.62 2.58 0.00 6.43 7.64 -1.26 -4.67 113.62 122.72 1uep n SER 6 Ca -0.18 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1uep n SER 6 Cb 0.61 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1uep n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 7 N 3.17 -1.66 3.75 0.23 0.00 -1.26 -5.13 105.19 104.29 1uep n GLY 7 Ca 0.18 0.77 -0.38 0.00 0.00 0.00 0.00 46.02 46.60 1uep n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uep s TYR 8 N 0.95 2.33 -0.16 1.61 -0.85 -1.26 -3.84 117.35 116.14 1uep s TYR 8 Ca 0.00 1.44 -0.05 0.00 -0.52 0.00 0.00 57.07 57.94 1uep s TYR 8 Cb 0.00 -3.68 -0.03 0.00 0.38 0.00 0.00 41.96 38.63 1uep s TYR 8 CO 0.00 -2.63 0.01 -1.59 -1.52 0.00 0.00 175.55 169.81 1uep s LYS 9 N -3.04 3.71 0.54 -3.49 -2.85 -1.03 -4.88 119.74 108.70 1uep s LYS 9 Ca 0.74 -0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 55.19 1uep s LYS 9 Cb -0.37 -3.02 -0.04 0.00 -2.06 0.00 0.00 37.83 32.34 1uep s LYS 9 CO 0.42 0.31 0.89 -1.21 0.10 0.00 0.00 175.35 175.87 1uep s GLU 10 N 0.21 3.59 -0.09 1.78 2.02 -1.26 -2.47 118.70 122.48 1uep s GLU 10 Ca 0.01 0.46 -0.04 0.00 0.02 0.00 0.00 54.97 55.42 1uep s GLU 10 Cb -0.13 -2.25 0.05 0.00 0.10 0.00 0.00 34.13 31.90 1uep s GLU 10 CO 0.02 -0.35 0.19 -0.48 0.02 0.00 0.00 175.26 174.65 1uep s LEU 11 N -4.85 -0.01 0.14 1.80 2.34 0.46 -4.96 118.68 113.60 1uep s LEU 11 Ca 0.51 0.40 -0.30 0.00 0.06 0.00 0.00 54.13 54.80 1uep s LEU 11 Cb -0.11 0.40 -0.06 0.00 -0.56 0.00 0.00 46.19 45.86 1uep s LEU 11 CO 0.47 -0.23 0.96 1.51 -1.06 0.00 0.00 176.35 178.00 1uep s ASP 12 N 2.14 7.53 -0.26 1.48 -4.77 -1.26 -0.99 116.67 120.54 1uep s ASP 12 Ca 0.01 1.83 0.01 0.00 -3.30 0.00 0.00 52.55 51.09 1uep s ASP 12 Cb -0.12 -2.59 0.07 0.00 -1.09 0.00 0.00 42.92 39.19 1uep s ASP 12 CO -0.06 -0.02 -0.01 -0.69 0.70 0.00 0.00 175.17 175.08 1uep s VAL 13 N -0.25 1.50 -0.18 2.11 1.01 -0.39 -4.96 120.40 119.23 1uep s VAL 13 Ca 0.46 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1uep s VAL 13 Cb -0.24 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1uep s VAL 13 CO 0.30 -0.25 0.33 -2.28 0.00 0.00 0.00 175.10 173.20 1uep s HIS 14 N 1.38 3.42 -0.14 5.22 5.04 -1.26 -0.46 115.29 128.48 1uep s HIS 14 Ca -0.01 0.58 0.02 0.00 -1.54 0.00 0.00 55.06 54.11 1uep s HIS 14 Cb -0.19 -2.42 0.01 0.00 0.04 0.00 0.00 32.58 30.03 1uep s HIS 14 CO -0.09 0.12 -0.20 -0.51 -2.34 0.00 0.00 174.74 171.72 1uep s LEU 15 N 0.85 2.01 0.39 8.88 1.43 -0.01 -4.99 118.68 127.24 1uep s LEU 15 Ca 0.17 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1uep s LEU 15 Cb -0.14 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 1uep s LEU 15 CO 0.06 0.05 1.13 -0.13 0.23 0.00 0.00 176.35 177.69 1uep s ARG 16 N 0.95 4.11 -0.48 1.70 0.52 -1.26 -0.86 118.95 123.64 1uep s ARG 16 Ca -0.05 1.75 -0.14 0.00 -0.52 0.00 0.00 55.73 56.77 1uep s ARG 16 Cb -0.15 -2.67 0.09 0.00 0.52 0.00 0.00 34.95 32.74 1uep s ARG 16 CO -0.04 -0.25 0.39 0.50 0.02 0.00 0.00 175.30 175.93 1uep s ARG 17 N -2.30 2.89 0.10 3.54 3.52 0.01 -4.67 118.95 122.05 1uep s ARG 17 Ca 0.57 -1.46 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1uep s ARG 17 Cb -0.28 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 1uep s ARG 17 CO 0.36 -1.08 0.00 -1.33 -0.81 0.00 0.00 175.30 172.44 1uep n MET 18 N 5.15 0.00 0.00 5.12 2.81 -1.26 -4.74 117.12 124.20 1uep n MET 18 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1uep n MET 18 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.94 1uep n MET 18 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1uep n GLU 19 N -2.82 0.00 0.26 0.03 -0.58 -1.26 -4.63 120.64 111.64 1uep n GLU 19 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1uep n GLU 19 Cb 0.00 0.00 0.63 0.00 -0.57 0.00 0.00 31.44 31.50 1uep n GLU 19 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1uep h SER 20 N 0.00 0.00 -4.79 1.62 0.02 -1.96 -3.48 113.55 104.97 1uep h SER 20 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1uep h SER 20 Cb 0.00 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.58 1uep h SER 20 CO 0.00 0.09 -0.18 0.61 -1.14 0.00 0.00 176.83 176.20 1uep n GLY 21 N -0.02 -0.90 2.09 -3.77 0.00 -1.26 -4.78 105.19 96.54 1uep n GLY 21 Ca 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 1uep n GLY 21 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uep n PHE 22 N -1.92 -2.48 -1.48 1.61 3.72 -1.26 -4.91 117.46 110.73 1uep n PHE 22 Ca -0.01 1.45 -0.28 0.00 -0.05 0.00 0.00 57.45 58.55 1uep n PHE 22 Cb 0.53 -2.84 -0.07 0.00 -0.94 0.00 0.00 39.48 36.16 1uep n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uep n GLY 23 N 0.94 4.24 3.32 1.37 0.00 -1.26 -4.90 105.19 108.90 1uep n GLY 23 Ca -0.23 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 1uep n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uep s PHE 24 N -0.57 1.55 0.04 1.61 -0.12 -1.26 -1.03 117.98 118.20 1uep s PHE 24 Ca 0.61 -1.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.29 1uep s PHE 24 Cb 0.30 -0.89 -0.03 0.00 -0.63 0.00 0.00 43.02 41.77 1uep s PHE 24 CO -0.13 -0.36 -0.05 0.50 -0.05 0.00 0.00 175.22 175.13 1uep s ARG 25 N -4.00 0.47 0.14 1.99 3.52 -1.21 -4.90 118.95 114.96 1uep s ARG 25 Ca 0.37 -0.79 0.09 0.00 -0.13 0.00 0.00 55.73 55.28 1uep s ARG 25 Cb 0.07 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1uep s ARG 25 CO 0.14 -0.01 -0.21 0.96 -0.81 0.00 0.00 175.30 175.37 1uep s ILE 26 N -1.83 1.91 0.34 4.11 -4.36 -1.26 -0.79 121.20 119.32 1uep s ILE 26 Ca -0.09 -1.77 -0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1uep s ILE 26 Cb -0.07 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.86 1uep s ILE 26 CO -0.02 -0.14 0.50 0.00 0.24 0.00 0.00 174.94 175.52 1uep n LEU 27 N 0.67 0.00 0.00 0.37 -0.00 -1.26 -4.79 117.00 111.99 1uep n LEU 27 Ca -0.16 -2.69 0.00 0.00 -0.00 0.00 0.00 56.01 53.16 1uep n LEU 27 Cb 0.55 2.56 0.00 0.00 -0.00 0.00 0.00 43.42 46.53 1uep n LEU 27 CO 0.26 -0.64 0.00 0.61 -0.00 0.00 0.00 177.39 177.61 1uep n GLY 28 N -0.55 1.72 2.51 1.47 0.00 -1.26 -4.35 105.19 104.73 1uep n GLY 28 Ca -0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 1uep n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uep n GLY 29 N 0.00 1.62 0.16 -0.02 0.00 -1.26 -4.47 105.19 101.23 1uep n GLY 29 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1uep n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uep h ASP 30 N 0.00 0.45 -2.75 1.61 3.58 -1.91 0.66 116.42 118.06 1uep h ASP 30 Ca -0.37 -0.19 -0.59 0.00 0.42 0.00 0.00 57.03 56.30 1uep h ASP 30 Cb 1.19 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 42.03 1uep h ASP 30 CO 0.54 0.52 -0.62 -1.61 -2.88 0.00 0.00 179.24 175.19 1uep s GLU 31 N -5.45 2.61 -0.89 0.28 2.02 -1.26 -4.84 118.70 111.17 1uep s GLU 31 Ca -0.13 -1.03 -0.23 0.00 0.02 0.00 0.00 54.97 53.60 1uep s GLU 31 Cb 0.09 -2.47 0.06 0.00 0.10 0.00 0.00 34.13 31.91 1uep s GLU 31 CO 0.74 0.46 1.28 -1.25 0.02 0.00 0.00 175.26 176.51 1uep s PRO 32 N -3.07 3.43 0.00 0.39 0.04 -1.26 -2.83 135.00 131.70 1uep s PRO 32 Ca 0.29 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1uep s PRO 32 Cb -0.09 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.61 1uep s PRO 32 CO 0.21 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1uep n GLY 33 N 6.04 -0.61 3.85 0.56 0.00 -1.25 -4.84 105.19 108.94 1uep n GLY 33 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1uep n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uep s GLN 34 N 0.00 1.93 0.03 1.61 -1.52 -1.13 -4.86 119.66 115.73 1uep s GLN 34 Ca 0.00 0.32 -0.29 0.00 -1.95 0.00 0.00 55.36 53.44 1uep s GLN 34 Cb 0.00 -1.93 -0.04 0.00 -0.22 0.00 0.00 33.01 30.82 1uep s GLN 34 CO 0.00 -1.66 0.95 -1.25 -0.25 0.00 0.00 175.29 173.08 1uep s PRO 35 N -5.38 4.60 -0.43 2.91 0.04 -1.26 -4.56 135.00 130.91 1uep s PRO 35 Ca 0.61 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1uep s PRO 35 Cb -0.13 -3.43 0.07 0.00 0.04 0.00 0.00 34.50 31.05 1uep s PRO 35 CO 0.52 0.06 0.30 0.42 0.04 0.00 0.00 177.00 178.34 1uep s ILE 36 N 0.62 4.66 0.29 0.56 1.01 -1.26 -4.03 121.20 123.05 1uep s ILE 36 Ca 0.49 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1uep s ILE 36 Cb -0.22 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1uep s ILE 36 CO 0.28 -0.49 0.37 -0.76 0.00 0.00 0.00 174.94 174.33 1uep s LEU 37 N 1.53 4.01 -0.01 2.97 1.43 -1.26 -0.27 118.68 127.08 1uep s LEU 37 Ca 0.03 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1uep s LEU 37 Cb -0.23 -2.66 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 1uep s LEU 37 CO 0.04 -0.25 1.68 -0.63 0.23 0.00 0.00 176.35 177.42 1uep s ILE 38 N -2.12 3.39 0.00 -0.59 -1.09 -0.17 -4.07 121.20 116.55 1uep s ILE 38 Ca 0.39 0.59 -0.22 0.00 -2.23 0.00 0.00 60.65 59.18 1uep s ILE 38 Cb -0.09 -3.38 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1uep s ILE 38 CO 0.29 -0.04 0.97 1.23 -1.23 0.00 0.00 174.94 176.16 1uep h GLY 39 N 9.77 -0.83 -5.72 6.18 0.00 -1.27 -2.80 103.07 108.40 1uep h GLY 39 Ca -0.41 0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.40 1uep h GLY 39 CO 0.94 -0.30 0.07 0.00 0.00 0.00 0.00 176.54 177.25 1uep s ALA 40 N -4.60 -2.81 0.50 3.60 0.00 -1.25 -4.79 121.76 112.42 1uep s ALA 40 Ca -0.12 1.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.47 1uep s ALA 40 Cb 0.01 -2.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.86 1uep s ALA 40 CO 0.35 -1.19 1.11 0.08 0.00 0.00 0.00 175.76 176.11 1uep s VAL 41 N 2.73 3.33 -0.33 0.00 1.01 -1.26 -3.31 120.40 122.57 1uep s VAL 41 Ca 0.02 0.87 -0.27 0.00 0.00 0.00 0.00 61.98 62.61 1uep s VAL 41 Cb -0.10 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1uep s VAL 41 CO -0.16 -0.14 0.96 -0.63 0.00 0.00 0.00 175.10 175.13 1uep s ILE 42 N -1.77 4.60 0.54 2.22 -1.09 -0.20 -4.94 121.20 120.56 1uep s ILE 42 Ca 0.69 1.44 0.27 0.00 -2.23 0.00 0.00 60.65 60.81 1uep s ILE 42 Cb -0.23 -4.32 0.41 0.00 -1.58 0.00 0.00 42.46 36.74 1uep s ILE 42 CO 0.27 -0.44 1.98 0.00 -1.23 0.00 0.00 174.94 175.51 1uep h ALA 43 N 8.21 2.54 0.00 9.38 0.00 -1.94 -2.49 119.26 134.95 1uep h ALA 43 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1uep h ALA 43 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1uep h ALA 43 CO 0.98 -0.73 -0.03 -1.33 0.00 0.00 0.00 179.25 178.14 1uep n MET 44 N -4.32 0.70 -1.59 0.00 2.81 -1.26 -4.80 117.12 108.66 1uep n MET 44 Ca 0.11 -0.79 -0.29 0.00 -1.81 0.00 0.00 57.70 54.92 1uep n MET 44 Cb 0.67 -0.63 0.15 0.00 -0.71 0.00 0.00 33.22 32.70 1uep n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1uep s GLY 45 N -0.33 1.61 0.12 3.03 0.00 -0.94 -4.82 107.32 106.00 1uep s GLY 45 Ca 0.01 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.09 1uep s GLY 45 CO 0.00 -0.08 1.19 1.44 0.00 0.00 0.00 173.10 175.64 1uep n SER 46 N -3.84 0.19 -0.07 1.64 7.64 -1.26 -2.23 113.62 115.69 1uep n SER 46 Ca 0.09 0.55 -0.12 0.00 1.01 0.00 0.00 58.87 60.40 1uep n SER 46 Cb 0.60 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 1uep n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uep h ALA 47 N 1.79 0.04 -0.73 -0.43 0.00 -1.85 -3.20 119.26 114.89 1uep h ALA 47 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1uep h ALA 47 Cb 0.13 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1uep h ALA 47 CO 0.00 0.14 0.38 0.22 0.00 0.00 0.00 179.25 180.00 1uep h ASP 48 N -1.00 0.52 -0.36 0.00 1.82 -1.57 0.01 116.42 115.83 1uep h ASP 48 Ca -0.06 0.05 0.11 0.00 -0.39 0.00 0.00 57.03 56.74 1uep h ASP 48 Cb 0.81 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1uep h ASP 48 CO -0.03 0.30 0.29 0.03 -1.61 0.00 0.00 179.24 178.22 1uep h ARG 49 N 0.65 0.00 0.00 0.28 3.08 -1.63 -1.87 114.38 114.89 1uep h ARG 49 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1uep h ARG 49 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1uep h ARG 49 CO -0.25 0.00 -0.86 0.22 -1.07 0.00 0.00 179.97 178.01 1uep h ASP 50 N 0.00 0.00 -1.44 7.04 3.58 -0.99 -3.49 116.42 121.13 1uep h ASP 50 Ca 0.17 -0.13 -0.35 0.00 0.42 0.00 0.00 57.03 57.15 1uep h ASP 50 Cb 0.75 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.71 1uep h ASP 50 CO -0.00 0.06 -0.37 0.61 -2.88 0.00 0.00 179.24 176.66 1uep n GLY 51 N 1.26 0.94 0.00 -0.78 0.00 -0.71 -4.84 105.19 101.07 1uep n GLY 51 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1uep n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uep n ARG 52 N -2.56 3.92 -2.34 1.61 1.74 -1.26 -5.02 116.66 112.75 1uep n ARG 52 Ca -0.19 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.64 1uep n ARG 52 Cb 0.60 -0.64 0.05 0.00 -1.02 0.00 0.00 32.46 31.45 1uep n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uep s LEU 53 N -2.12 3.00 -0.01 0.55 1.43 -1.26 -4.99 118.68 115.28 1uep s LEU 53 Ca 0.00 0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1uep s LEU 53 Cb 0.00 -3.15 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1uep s LEU 53 CO 0.00 -1.39 0.63 -1.00 0.23 0.00 0.00 176.35 174.82 1uep s HIS 54 N -3.09 -0.59 0.02 0.29 3.76 -1.26 -5.02 115.29 109.40 1uep s HIS 54 Ca 0.58 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 1uep s HIS 54 Cb -0.11 0.40 -0.07 0.00 1.11 0.00 0.00 32.58 33.92 1uep s HIS 54 CO 0.44 -0.63 1.61 -1.25 -0.85 0.00 0.00 174.74 174.05 1uep s PRO 55 N -1.68 4.21 0.00 8.40 0.04 -1.26 -2.72 135.00 141.99 1uep s PRO 55 Ca -0.09 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1uep s PRO 55 Cb -0.01 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1uep s PRO 55 CO 0.05 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1uep n GLY 56 N 3.96 1.01 3.74 0.56 0.00 -1.06 -4.99 105.19 108.41 1uep n GLY 56 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1uep n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1uep s ASP 57 N -2.00 4.51 -0.30 1.61 1.47 -1.10 -4.88 116.67 115.98 1uep s ASP 57 Ca 0.00 2.28 -0.09 0.00 1.18 0.00 0.00 52.55 55.92 1uep s ASP 57 Cb 0.00 -2.58 -0.01 0.00 -0.34 0.00 0.00 42.92 39.99 1uep s ASP 57 CO 0.00 -2.04 0.14 -0.70 0.68 0.00 0.00 175.17 173.24 1uep s GLU 58 N -3.88 3.42 0.18 2.11 2.12 -1.03 -1.00 118.70 120.62 1uep s GLU 58 Ca 0.73 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 1uep s GLU 58 Cb -0.27 -3.52 -0.07 0.00 0.26 0.00 0.00 34.13 30.52 1uep s GLU 58 CO 0.43 -0.36 1.01 -0.51 -0.54 0.00 0.00 175.26 175.28 1uep s LEU 59 N 1.62 4.54 -0.05 2.70 1.43 0.63 -0.57 118.68 128.98 1uep s LEU 59 Ca 0.05 1.96 -0.05 0.00 -1.03 0.00 0.00 54.13 55.06 1uep s LEU 59 Cb -0.17 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1uep s LEU 59 CO 0.06 -0.06 -0.11 0.52 0.23 0.00 0.00 176.35 176.99 1uep n VAL 60 N 2.19 0.71 -4.17 -1.59 0.31 0.28 -4.68 118.33 111.38 1uep n VAL 60 Ca 0.01 0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.20 1uep n VAL 60 Cb 0.47 -1.67 -0.13 0.00 -0.91 0.00 0.00 33.84 31.60 1uep n VAL 60 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1uep s TYR 61 N -2.19 0.73 -0.04 3.52 2.02 -1.02 -0.96 117.35 119.40 1uep s TYR 61 Ca -0.11 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1uep s TYR 61 Cb 0.04 -0.44 0.03 0.00 -0.40 0.00 0.00 41.96 41.18 1uep s TYR 61 CO 0.14 -0.03 0.03 0.08 -1.57 0.00 0.00 175.55 174.20 1uep s VAL 62 N -0.78 0.04 -1.25 0.71 1.01 -0.06 -2.36 120.40 117.72 1uep s VAL 62 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1uep s VAL 62 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1uep s VAL 62 CO 0.00 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1uep n ASP 63 N 4.72 -3.24 0.00 3.32 2.03 -1.25 -0.87 116.55 121.26 1uep n ASP 63 Ca -0.15 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1uep n ASP 63 Cb 0.50 -3.03 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 1uep n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uep n GLY 64 N -0.29 1.03 3.74 0.27 0.00 -1.26 -5.03 105.19 103.65 1uep n GLY 64 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1uep n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uep s ILE 65 N -2.29 4.94 0.17 -0.61 1.09 -0.05 -4.99 121.20 119.45 1uep s ILE 65 Ca 0.00 1.34 -0.30 0.00 -1.10 0.00 0.00 60.65 60.59 1uep s ILE 65 Cb 0.00 -3.98 -0.08 0.00 -1.06 0.00 0.00 42.46 37.34 1uep s ILE 65 CO 0.00 0.36 1.23 -2.16 -0.10 0.00 0.00 174.94 174.27 1uep s PRO 66 N 0.16 4.45 0.00 2.79 0.04 -1.26 -0.88 135.00 140.29 1uep s PRO 66 Ca 0.34 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.51 1uep s PRO 66 Cb -0.18 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 1uep s PRO 66 CO 0.18 -0.17 1.04 1.33 0.04 0.00 0.00 177.00 179.42 1uep n VAL 67 N 2.81 0.00 -2.22 -0.36 0.24 -0.14 -4.80 118.33 113.85 1uep n VAL 67 Ca 0.06 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.83 1uep n VAL 67 Cb 0.44 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 1uep n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uep s ALA 68 N -2.75 3.53 0.00 2.33 0.00 -1.25 -1.70 121.76 121.91 1uep s ALA 68 Ca 0.13 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1uep s ALA 68 Cb 0.17 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1uep s ALA 68 CO 0.72 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1uep n GLY 69 N 2.52 2.36 3.94 0.00 0.00 -1.26 -4.95 105.19 107.80 1uep n GLY 69 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1uep n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uep s LYS 70 N -0.02 1.98 0.62 1.61 -0.14 -0.69 -3.87 119.74 119.25 1uep s LYS 70 Ca 0.00 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 54.21 1uep s LYS 70 Cb 0.00 -2.17 0.07 0.00 -1.68 0.00 0.00 37.83 34.05 1uep s LYS 70 CO 0.00 -1.37 0.87 0.95 -0.76 0.00 0.00 175.35 175.04 1uep s THR 71 N -3.28 2.43 0.14 2.17 -4.23 -1.26 -4.42 115.64 107.19 1uep s THR 71 Ca 0.62 -0.61 -0.27 0.00 -1.18 0.00 0.00 61.69 60.25 1uep s THR 71 Cb -0.09 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 1uep s THR 71 CO 0.45 0.00 1.59 -0.74 -0.54 0.00 0.00 174.62 175.38 1uep h HIS 72 N -0.20 -1.07 -0.91 3.99 -0.00 -1.08 -2.64 115.15 113.24 1uep h HIS 72 Ca -0.40 0.05 0.18 0.00 -0.00 0.00 0.00 60.37 60.21 1uep h HIS 72 Cb 1.29 0.50 -0.11 0.00 -0.00 0.00 0.00 27.41 29.09 1uep h HIS 72 CO 0.16 -0.44 0.48 0.00 -0.00 0.00 0.00 177.93 178.14 1uep h ARG 73 N -0.40 0.58 -0.59 5.26 2.47 -1.94 -0.61 114.38 119.15 1uep h ARG 73 Ca 0.11 -0.03 0.11 0.00 -1.26 0.00 0.00 59.98 58.90 1uep h ARG 73 Cb 0.58 -0.13 -0.09 0.00 -1.65 0.00 0.00 29.97 28.69 1uep h ARG 73 CO -0.43 0.38 0.10 -0.92 0.56 0.00 0.00 179.97 179.66 1uep h TYR 74 N 0.59 0.15 -0.08 3.04 5.03 -1.85 0.37 116.97 124.22 1uep h TYR 74 Ca 0.53 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.70 1uep h TYR 74 Cb 0.87 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 1uep h TYR 74 CO -0.08 -0.05 -0.70 0.28 -1.32 0.00 0.00 178.16 176.29 1uep h VAL 75 N 0.23 1.39 -0.46 1.81 2.07 -1.15 -2.28 116.25 117.84 1uep h VAL 75 Ca 0.31 -2.11 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 1uep h VAL 75 Cb 0.46 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1uep h VAL 75 CO -0.41 0.63 0.17 0.40 0.02 0.00 0.00 177.57 178.37 1uep h ILE 76 N 0.25 1.18 -0.52 4.57 1.08 -0.56 0.16 117.51 123.67 1uep h ILE 76 Ca -0.02 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1uep h ILE 76 Cb 1.26 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1uep h ILE 76 CO 0.12 0.23 0.24 0.44 -0.69 0.00 0.00 178.15 178.49 1uep h ASP 77 N 0.66 0.69 0.33 1.72 5.19 -0.71 -2.42 116.42 121.88 1uep h ASP 77 Ca 0.16 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1uep h ASP 77 Cb 0.17 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1uep h ASP 77 CO -0.01 0.63 -0.16 -0.07 -3.12 0.00 0.00 179.24 176.51 1uep h LEU 78 N 0.70 -0.38 -1.48 1.55 -0.00 -0.77 -2.82 115.31 112.11 1uep h LEU 78 Ca 0.18 -0.09 0.04 0.00 -0.00 0.00 0.00 57.88 58.01 1uep h LEU 78 Cb 0.13 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 1uep h LEU 78 CO -0.02 -0.14 0.39 0.24 -0.00 0.00 0.00 178.44 178.91 1uep h MET 79 N -0.61 0.64 -0.50 1.13 2.86 -0.73 0.81 114.93 118.53 1uep h MET 79 Ca -0.05 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1uep h MET 79 Cb 0.44 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1uep h MET 79 CO 0.07 0.43 0.32 0.45 1.06 0.00 0.00 176.91 179.24 1uep h HIS 80 N 0.66 0.61 0.09 -0.22 3.86 -1.39 -0.48 115.15 118.28 1uep h HIS 80 Ca 0.24 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1uep h HIS 80 Cb 0.13 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1uep h HIS 80 CO -0.00 0.37 -0.04 0.45 0.86 0.00 0.00 177.93 179.56 1uep h HIS 81 N 0.65 -0.11 -0.41 2.45 -0.00 -0.78 -3.03 115.15 113.92 1uep h HIS 81 Ca 0.19 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1uep h HIS 81 Cb -0.04 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1uep h HIS 81 CO -0.05 0.09 0.27 0.00 -0.00 0.00 0.00 177.93 178.24 1uep h ALA 82 N 0.59 1.76 -0.60 2.45 0.00 -0.79 0.16 119.26 122.83 1uep h ALA 82 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uep h ALA 82 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1uep h ALA 82 CO 0.02 0.20 0.35 0.00 0.00 0.00 0.00 179.25 179.82 1uep h ALA 83 N 1.75 1.49 -0.17 0.00 0.00 -1.04 -0.54 119.26 120.75 1uep h ALA 83 Ca 0.16 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1uep h ALA 83 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1uep h ALA 83 CO -0.04 0.44 -0.46 0.00 0.00 0.00 0.00 179.25 179.19 1uep h ARG 84 N 0.82 0.61 -0.66 0.00 3.08 -0.65 -3.17 114.38 114.42 1uep h ARG 84 Ca 0.21 -0.43 0.12 0.00 0.07 0.00 0.00 59.98 59.96 1uep h ARG 84 Cb -0.01 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1uep h ARG 84 CO -0.04 1.05 0.44 -0.91 -1.07 0.00 0.00 179.97 179.44 1uep h ASN 85 N 0.27 0.34 0.00 7.04 2.35 -0.65 -3.46 115.58 121.48 1uep h ASN 85 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1uep h ASN 85 Cb 1.07 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1uep h ASN 85 CO 0.10 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 1uep n GLY 86 N -1.53 0.74 3.75 2.83 0.00 -0.24 -5.02 105.19 105.72 1uep n GLY 86 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1uep n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uep s GLN 87 N -0.52 1.33 0.10 1.61 -2.07 -1.21 -0.81 119.66 118.10 1uep s GLN 87 Ca 0.00 -0.71 -0.13 0.00 -1.82 0.00 0.00 55.36 52.70 1uep s GLN 87 Cb 0.00 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.40 1uep s GLN 87 CO 0.00 -0.61 0.30 0.54 -1.32 0.00 0.00 175.29 174.20 1uep s VAL 88 N -3.46 0.10 -0.37 3.63 0.11 -0.04 -4.66 120.40 115.72 1uep s VAL 88 Ca 0.11 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1uep s VAL 88 Cb -0.03 -1.23 0.14 0.00 -1.53 0.00 0.00 36.38 33.74 1uep s VAL 88 CO 0.02 -0.47 0.23 0.21 -3.33 0.00 0.00 175.10 171.76 1uep s ASN 89 N -2.78 2.93 -0.59 3.54 2.47 -1.26 -0.83 114.94 118.41 1uep s ASN 89 Ca 0.03 -2.34 -0.15 0.00 0.42 0.00 0.00 52.86 50.83 1uep s ASN 89 Cb 0.03 -0.50 0.15 0.00 -1.45 0.00 0.00 41.25 39.48 1uep s ASN 89 CO -0.11 -0.29 0.53 -0.76 -3.72 0.00 0.00 177.10 172.76 1uep s LEU 90 N 0.86 6.23 -0.10 3.21 1.43 0.39 -3.95 118.68 126.76 1uep s LEU 90 Ca 0.19 -1.99 -0.26 0.00 -1.03 0.00 0.00 54.13 51.04 1uep s LEU 90 Cb -0.21 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1uep s LEU 90 CO -0.01 -0.78 0.85 -0.89 0.23 0.00 0.00 176.35 175.74 1uep s THR 91 N 1.27 4.91 0.19 5.49 2.01 -0.99 -1.27 115.64 127.26 1uep s THR 91 Ca 0.06 1.72 0.08 0.00 0.31 0.00 0.00 61.69 63.86 1uep s THR 91 Cb -0.26 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1uep s THR 91 CO 0.00 0.12 -0.16 0.68 -0.69 0.00 0.00 174.62 174.57 1uep s VAL 92 N 1.49 1.77 0.13 3.82 -7.23 -0.16 -0.56 120.40 119.67 1uep s VAL 92 Ca 0.42 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.34 1uep s VAL 92 Cb -0.18 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1uep s VAL 92 CO 0.18 -0.50 0.34 0.00 -0.31 0.00 0.00 175.10 174.81 1uep s ARG 93 N -3.36 1.06 -0.10 4.82 1.70 0.27 -0.40 118.95 122.94 1uep s ARG 93 Ca 0.20 -0.86 -0.22 0.00 -0.47 0.00 0.00 55.73 54.39 1uep s ARG 93 Cb -0.02 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 34.84 1uep s ARG 93 CO 0.07 -0.40 0.52 1.03 -1.08 0.00 0.00 175.30 175.44 1uep s ARG 94 N -3.85 0.79 0.43 3.89 3.00 -1.03 -2.48 118.95 119.71 1uep s ARG 94 Ca 0.06 0.31 -0.22 0.00 0.00 0.00 0.00 55.73 55.88 1uep s ARG 94 Cb 0.02 0.37 -0.11 0.00 0.00 0.00 0.00 34.95 35.23 1uep s ARG 94 CO -0.09 -0.19 0.68 1.63 0.00 0.00 0.00 175.30 177.33 1uep n LYS 95 N 1.70 0.78 -4.15 3.54 5.02 -1.26 -2.46 118.16 121.31 1uep n LYS 95 Ca -0.18 0.28 -0.36 0.00 -2.02 0.00 0.00 58.31 56.04 1uep n LYS 95 Cb 0.56 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1uep n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uep s VAL 96 N -1.43 4.84 0.04 -0.18 1.01 -1.25 -4.82 120.40 118.61 1uep s VAL 96 Ca 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1uep s VAL 96 Cb -0.58 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1uep s VAL 96 CO 0.57 0.60 -0.06 -0.76 0.00 0.00 0.00 175.10 175.46 1uep s LEU 97 N -0.97 2.27 -0.43 3.92 1.02 -1.26 -4.82 118.68 118.40 1uep s LEU 97 Ca 0.14 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1uep s LEU 97 Cb -0.12 -0.03 0.23 0.00 0.02 0.00 0.00 46.19 46.29 1uep s LEU 97 CO 0.03 -0.28 0.98 -1.54 0.02 0.00 0.00 176.35 175.56 1uep n SER 98 N 1.38 -2.39 0.00 2.29 3.41 -1.26 -5.10 113.62 111.94 1uep n SER 98 Ca -0.22 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1uep n SER 98 Cb 0.55 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 1uep n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uep n GLY 99 N 2.06 0.82 3.74 5.00 0.00 -1.26 -5.12 105.19 110.43 1uep n GLY 99 Ca 0.10 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1uep n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uep s PRO 100 N 0.00 4.39 0.00 1.61 0.04 -1.26 -4.58 135.00 135.20 1uep s PRO 100 Ca 0.00 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1uep s PRO 100 Cb 0.00 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1uep s PRO 100 CO 0.00 -0.23 0.00 0.45 0.04 0.00 0.00 177.00 177.26 1uep n SER 101 N 2.30 0.00 -2.23 6.66 2.88 -1.26 -5.12 113.62 116.84 1uep n SER 101 Ca 0.05 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.49 1uep n SER 101 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 1uep n SER 101 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uep n SER 102 N 0.00 -0.56 -0.77 -3.46 2.88 -1.26 -5.32 113.62 105.13 1uep n SER 102 Ca 0.00 -2.19 0.10 0.00 -1.33 0.00 0.00 58.87 55.44 1uep n SER 102 Cb 0.00 1.17 0.08 0.00 -0.75 0.00 0.00 64.21 64.71 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42