#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uep s SER 2 N 0.00 -0.27 0.00 1.61 0.01 -1.26 -5.10 113.70 108.69 1uep s SER 2 Ca 0.00 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1uep s SER 2 Cb 0.00 1.44 0.00 0.00 0.21 0.00 0.00 66.02 67.67 1uep s SER 2 CO 0.00 -0.27 0.00 -0.24 0.41 0.00 0.00 173.24 173.14 1uep n SER 3 N 5.39 0.00 -3.37 2.44 2.88 -1.26 -5.14 113.62 114.55 1uep n SER 3 Ca -0.05 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.51 1uep n SER 3 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 1uep n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uep s GLY 4 N 0.00 -0.28 0.00 0.46 0.00 -1.26 -5.18 107.32 101.07 1uep s GLY 4 Ca 0.00 2.92 0.00 0.00 0.00 0.00 0.00 44.72 47.64 1uep s GLY 4 CO 0.00 3.30 0.00 1.44 0.00 0.00 0.00 173.10 177.84 1uep n SER 5 N 5.08 0.00 -2.12 1.64 7.64 -1.26 -5.17 113.62 119.44 1uep n SER 5 Ca -0.09 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.71 1uep n SER 5 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1uep n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uep n SER 6 N 0.00 -0.60 -2.56 6.43 3.41 -1.26 -5.16 113.62 113.88 1uep n SER 6 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1uep n SER 6 Cb 0.00 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1uep n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uep n GLY 7 N -0.32 -0.48 2.98 5.00 0.00 -1.26 -5.03 105.19 106.09 1uep n GLY 7 Ca 0.02 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.42 1uep n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1uep n TYR 8 N -0.25 -2.38 -4.29 1.61 0.18 -1.26 -4.87 117.16 105.90 1uep n TYR 8 Ca 0.00 0.60 -0.21 0.00 1.88 0.00 0.00 57.90 60.17 1uep n TYR 8 Cb 0.00 -1.06 -0.16 0.00 -0.38 0.00 0.00 39.34 37.74 1uep n TYR 8 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1uep s LYS 9 N -1.05 1.06 -0.22 -3.48 1.02 -0.87 -4.73 119.74 111.48 1uep s LYS 9 Ca 0.00 -0.20 -0.26 0.00 0.02 0.00 0.00 55.97 55.54 1uep s LYS 9 Cb 0.00 -0.98 -0.00 0.00 -0.52 0.00 0.00 37.83 36.32 1uep s LYS 9 CO 0.00 -0.04 0.88 -1.21 -0.92 0.00 0.00 175.35 174.06 1uep s GLU 10 N 0.80 4.23 -0.32 1.68 2.02 -1.26 -1.51 118.70 124.34 1uep s GLU 10 Ca -0.12 1.06 -0.12 0.00 0.02 0.00 0.00 54.97 55.81 1uep s GLU 10 Cb -0.15 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1uep s GLU 10 CO 0.01 -0.49 0.21 -0.51 0.02 0.00 0.00 175.26 174.50 1uep s LEU 11 N 2.74 4.29 -0.08 1.80 2.01 0.90 -4.95 118.68 125.39 1uep s LEU 11 Ca 0.38 -0.32 -0.22 0.00 0.01 0.00 0.00 54.13 53.98 1uep s LEU 11 Cb -0.16 -2.11 -0.04 0.00 0.01 0.00 0.00 46.19 43.90 1uep s LEU 11 CO 0.08 -0.17 0.66 1.51 1.01 0.00 0.00 176.35 179.44 1uep s ASP 12 N 1.71 6.92 0.06 2.29 -4.77 -1.26 -1.07 116.67 120.55 1uep s ASP 12 Ca 0.06 1.11 0.05 0.00 -3.30 0.00 0.00 52.55 50.47 1uep s ASP 12 Cb -0.17 -2.39 -0.03 0.00 -1.09 0.00 0.00 42.92 39.25 1uep s ASP 12 CO 0.10 -0.10 -0.13 -0.69 0.70 0.00 0.00 175.17 175.05 1uep s VAL 13 N 0.78 1.05 -0.04 2.11 1.01 0.00 -5.00 120.40 120.31 1uep s VAL 13 Ca 0.35 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1uep s VAL 13 Cb -0.17 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1uep s VAL 13 CO 0.16 -0.18 -0.11 -2.28 0.00 0.00 0.00 175.10 172.70 1uep s HIS 14 N -1.17 1.15 -0.09 5.22 5.04 -1.26 -1.80 115.29 122.39 1uep s HIS 14 Ca -0.02 -0.33 0.03 0.00 -1.54 0.00 0.00 55.06 53.20 1uep s HIS 14 Cb -0.09 -0.83 0.01 0.00 0.04 0.00 0.00 32.58 31.70 1uep s HIS 14 CO 0.02 -0.15 -0.18 -0.51 -2.34 0.00 0.00 174.74 171.58 1uep s LEU 15 N 0.33 1.85 0.67 8.88 1.02 0.16 -4.99 118.68 126.60 1uep s LEU 15 Ca -0.06 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.55 1uep s LEU 15 Cb -0.11 -1.11 -0.00 0.00 0.02 0.00 0.00 46.19 44.99 1uep s LEU 15 CO 0.01 0.08 1.07 -0.13 0.02 0.00 0.00 176.35 177.40 1uep s ARG 16 N 0.57 3.08 -0.37 1.70 1.81 -1.26 -0.04 118.95 124.44 1uep s ARG 16 Ca -0.15 0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 54.36 1uep s ARG 16 Cb -0.17 -2.05 0.09 0.00 -0.45 0.00 0.00 34.95 32.38 1uep s ARG 16 CO 0.05 -0.88 0.12 0.50 -0.68 0.00 0.00 175.30 174.42 1uep s ARG 17 N -5.29 2.00 0.28 3.54 3.52 -0.32 -4.33 118.95 118.35 1uep s ARG 17 Ca 0.57 -1.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.47 1uep s ARG 17 Cb -0.11 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1uep s ARG 17 CO 0.52 -0.94 0.00 0.00 -0.81 0.00 0.00 175.30 174.07 1uep n MET 18 N 4.53 0.00 -0.12 5.12 0.00 -1.26 -4.75 117.12 120.64 1uep n MET 18 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.62 1uep n MET 18 Cb 0.42 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.68 1uep n MET 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1uep n GLU 19 N -3.26 -1.73 0.00 3.17 0.00 -1.26 -4.86 120.64 112.69 1uep n GLU 19 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1uep n GLU 19 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 31.44 31.17 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1uep n SER 20 N -3.35 0.03 -1.58 4.31 7.64 -1.26 -4.74 113.62 114.67 1uep n SER 20 Ca 0.02 -0.49 -0.00 0.00 1.01 0.00 0.00 58.87 59.41 1uep n SER 20 Cb 0.09 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1uep n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 21 N -0.18 -0.68 2.92 0.23 0.00 -1.26 -4.75 105.19 101.48 1uep n GLY 21 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.56 -3.39 -1.12 1.61 3.72 -1.26 -4.86 117.46 111.59 1uep n PHE 22 Ca 0.01 1.40 -0.32 0.00 -0.05 0.00 0.00 57.45 58.48 1uep n PHE 22 Cb 0.09 -3.72 -0.04 0.00 -0.94 0.00 0.00 39.48 34.87 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 -0.10 3.82 3.30 1.37 0.00 -1.26 -4.83 105.19 107.49 1uep n GLY 23 Ca 0.07 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 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 2.38 1.46 0.33 1.61 -0.12 -1.26 -1.57 117.98 120.81 1uep s PHE 24 Ca 0.61 -1.08 0.10 0.00 -0.05 0.00 0.00 56.93 56.51 1uep s PHE 24 Cb 0.17 -0.85 -0.06 0.00 -0.63 0.00 0.00 43.02 41.65 1uep s PHE 24 CO -0.05 -0.23 -0.08 1.03 -0.05 0.00 0.00 175.22 175.84 1uep s ARG 25 N -3.96 1.89 -0.05 1.99 1.81 -0.01 -4.90 118.95 115.72 1uep s ARG 25 Ca 0.32 -1.84 -0.02 0.00 -1.72 0.00 0.00 55.73 52.47 1uep s ARG 25 Cb 0.07 -1.79 0.03 0.00 -0.45 0.00 0.00 34.95 32.81 1uep s ARG 25 CO 0.10 0.18 0.09 0.96 -0.68 0.00 0.00 175.30 175.95 1uep s ILE 26 N -2.56 -0.07 0.10 1.52 -4.36 -1.26 -0.11 121.20 114.46 1uep s ILE 26 Ca 0.33 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 60.95 1uep s ILE 26 Cb 0.00 -0.17 -0.04 0.00 1.25 0.00 0.00 42.46 43.50 1uep s ILE 26 CO 0.17 0.09 -0.02 -0.76 0.24 0.00 0.00 174.94 174.67 1uep s LEU 27 N 1.27 2.30 0.00 0.37 1.43 -0.87 -4.62 118.68 118.56 1uep s LEU 27 Ca -0.07 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1uep s LEU 27 Cb -0.12 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1uep s LEU 27 CO -0.04 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1uep n GLY 28 N -0.04 0.55 2.41 -3.19 0.00 -1.26 -2.49 105.19 101.18 1uep n GLY 28 Ca -0.10 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.18 0.13 -0.02 0.00 -0.68 -4.07 105.19 100.37 1uep n GLY 29 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.08 -2.09 1.61 3.58 -1.86 0.69 116.42 118.43 1uep h ASP 30 Ca -0.44 -0.05 -0.49 0.00 0.42 0.00 0.00 57.03 56.47 1uep h ASP 30 Cb 1.31 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.31 1uep h ASP 30 CO 0.53 0.77 -0.47 -1.61 -2.88 0.00 0.00 179.24 175.58 1uep s GLU 31 N -3.40 3.02 -0.66 0.28 0.41 -1.26 -4.78 118.70 112.30 1uep s GLU 31 Ca -0.01 -1.03 -0.27 0.00 -0.41 0.00 0.00 54.97 53.24 1uep s GLU 31 Cb 0.12 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 1uep s GLU 31 CO 0.79 0.31 1.58 -1.25 -0.49 0.00 0.00 175.26 176.20 1uep s PRO 32 N -3.94 2.92 0.00 0.39 0.04 -1.26 -2.65 135.00 130.51 1uep s PRO 32 Ca 0.36 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1uep s PRO 32 Cb -0.08 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1uep s PRO 32 CO 0.27 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1uep n GLY 33 N 5.53 0.89 3.87 0.56 0.00 -1.24 -4.92 105.19 109.87 1uep n GLY 33 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 3.73 0.29 1.61 -0.21 -1.08 -4.84 119.66 119.16 1uep s GLN 34 Ca 0.00 0.64 -0.29 0.00 0.02 0.00 0.00 55.36 55.73 1uep s GLN 34 Cb 0.00 -2.22 -0.10 0.00 1.00 0.00 0.00 33.01 31.69 1uep s GLN 34 CO 0.00 -0.29 1.24 -1.25 -2.12 0.00 0.00 175.29 172.87 1uep s PRO 35 N -4.46 4.45 -0.64 2.91 0.04 -1.26 -4.01 135.00 132.03 1uep s PRO 35 Ca 0.54 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 1uep s PRO 35 Cb -0.10 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.47 1uep s PRO 35 CO 0.40 -0.08 0.56 0.42 0.04 0.00 0.00 177.00 178.35 1uep s ILE 36 N -0.90 5.02 0.20 0.56 1.01 -1.26 -1.68 121.20 124.15 1uep s ILE 36 Ca 0.49 -2.06 -0.16 0.00 0.00 0.00 0.00 60.65 58.92 1uep s ILE 36 Cb -0.37 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 37.84 1uep s ILE 36 CO 0.46 -0.91 0.64 -0.76 0.00 0.00 0.00 174.94 174.37 1uep s LEU 37 N 0.85 4.30 -0.06 2.97 1.43 -1.04 -0.03 118.68 127.10 1uep s LEU 37 Ca 0.10 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.13 1uep s LEU 37 Cb -0.21 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1uep s LEU 37 CO -0.03 0.03 1.97 -0.63 0.23 0.00 0.00 176.35 177.92 1uep s ILE 38 N -1.57 3.14 0.12 -0.59 -1.09 0.56 -2.05 121.20 119.71 1uep s ILE 38 Ca 0.42 0.16 -0.24 0.00 -2.23 0.00 0.00 60.65 58.76 1uep s ILE 38 Cb -0.15 -3.13 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 1uep s ILE 38 CO 0.20 -0.04 1.67 1.23 -1.23 0.00 0.00 174.94 176.76 1uep h GLY 39 N 11.81 -0.23 -3.45 6.18 0.00 -0.77 -0.70 103.07 115.90 1uep h GLY 39 Ca -0.45 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1uep h GLY 39 CO 0.95 -0.17 0.29 0.00 0.00 0.00 0.00 176.54 177.62 1uep s ALA 40 N -6.12 -1.72 -0.16 3.60 0.00 -1.25 -4.73 121.76 111.38 1uep s ALA 40 Ca -0.15 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 1uep s ALA 40 Cb 0.09 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1uep s ALA 40 CO 0.66 -0.61 -0.01 0.08 0.00 0.00 0.00 175.76 175.88 1uep s VAL 41 N -2.76 4.12 -0.12 0.00 1.01 -1.26 -0.83 120.40 120.56 1uep s VAL 41 Ca -0.01 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1uep s VAL 41 Cb -0.01 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1uep s VAL 41 CO -0.05 0.49 1.73 -0.63 0.00 0.00 0.00 175.10 176.64 1uep s ILE 42 N 0.29 3.51 0.50 2.22 -1.09 -0.61 -4.87 121.20 121.16 1uep s ILE 42 Ca -0.02 0.60 0.20 0.00 -2.23 0.00 0.00 60.65 59.20 1uep s ILE 42 Cb -0.14 -3.46 0.35 0.00 -1.58 0.00 0.00 42.46 37.63 1uep s ILE 42 CO 0.02 -0.14 2.02 0.00 -1.23 0.00 0.00 174.94 175.61 1uep h ALA 43 N 10.62 2.27 -0.22 9.38 0.00 -1.98 -0.69 119.26 138.65 1uep h ALA 43 Ca -0.38 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1uep h ALA 43 Cb 1.18 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 1uep h ALA 43 CO 0.97 -0.39 -0.79 -1.33 0.00 0.00 0.00 179.25 177.71 1uep n MET 44 N -4.44 1.65 -3.44 0.00 2.81 -1.26 -4.77 117.12 107.67 1uep n MET 44 Ca 0.07 -3.19 -0.20 0.00 -1.81 0.00 0.00 57.70 52.57 1uep n MET 44 Cb 0.44 -1.35 -0.02 0.00 -0.71 0.00 0.00 33.22 31.58 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 -3.08 2.10 0.19 3.03 0.00 -0.27 -4.93 107.32 104.35 1uep s GLY 45 Ca 0.38 -1.83 0.15 0.00 0.00 0.00 0.00 44.72 43.42 1uep s GLY 45 CO -0.07 -1.66 1.45 1.44 0.00 0.00 0.00 173.10 174.26 1uep n SER 46 N -1.64 0.36 -0.03 1.64 7.64 -1.26 -1.14 113.62 119.19 1uep n SER 46 Ca 0.05 0.65 -0.12 0.00 1.01 0.00 0.00 58.87 60.45 1uep n SER 46 Cb 0.61 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 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 2.07 -0.04 -0.47 -0.43 0.00 -1.84 -1.78 119.26 116.77 1uep h ALA 47 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1uep h ALA 47 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1uep h ALA 47 CO 0.00 -0.14 0.26 0.22 0.00 0.00 0.00 179.25 179.58 1uep h ASP 48 N -0.80 0.39 -0.51 0.00 1.82 -1.43 -0.37 116.42 115.52 1uep h ASP 48 Ca -0.00 0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.73 1uep h ASP 48 Cb 0.70 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.58 1uep h ASP 48 CO 0.01 0.28 0.16 -0.09 -1.61 0.00 0.00 179.24 177.99 1uep h ARG 49 N 0.51 0.32 -0.03 0.28 2.43 -1.21 0.29 114.38 116.96 1uep h ARG 49 Ca 0.20 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1uep h ARG 49 Cb 0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1uep h ARG 49 CO -0.12 0.21 -0.25 0.22 -1.51 0.00 0.00 179.97 178.53 1uep h ASP 50 N 0.33 0.06 0.00 -3.80 3.58 -0.93 -3.47 116.42 112.19 1uep h ASP 50 Ca 0.25 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1uep h ASP 50 Cb 0.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1uep h ASP 50 CO -0.27 0.31 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 1uep n GLY 51 N -0.77 1.91 0.29 -0.78 0.00 0.09 -4.78 105.19 101.15 1uep n GLY 51 Ca -0.02 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 45.95 1uep n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1uep h ARG 52 N 0.00 0.00 -6.08 1.61 3.08 -1.85 -3.41 114.38 107.73 1uep h ARG 52 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1uep h ARG 52 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1uep h ARG 52 CO 0.00 0.05 0.04 -0.51 -1.07 0.00 0.00 179.97 178.49 1uep s LEU 53 N -6.59 4.38 0.18 3.04 1.43 -1.26 -5.04 118.68 114.82 1uep s LEU 53 Ca -0.02 1.20 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 1uep s LEU 53 Cb 0.12 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1uep s LEU 53 CO 0.52 0.01 -0.16 -1.00 0.23 0.00 0.00 176.35 175.95 1uep s HIS 54 N 0.22 1.75 0.52 0.29 3.76 -1.26 -4.65 115.29 115.93 1uep s HIS 54 Ca 0.34 -0.51 -0.21 0.00 -0.15 0.00 0.00 55.06 54.53 1uep s HIS 54 Cb -0.18 -0.85 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 1uep s HIS 54 CO 0.18 0.34 1.17 -1.25 -0.85 0.00 0.00 174.74 174.33 1uep s PRO 55 N -3.14 3.42 0.00 8.40 0.04 -1.26 -2.90 135.00 139.56 1uep s PRO 55 Ca 0.18 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1uep s PRO 55 Cb -0.04 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1uep s PRO 55 CO 0.07 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1uep n GLY 56 N 0.37 1.70 3.71 0.56 0.00 -0.27 -4.91 105.19 106.35 1uep n GLY 56 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1uep n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uep s ASP 57 N -3.26 6.91 -0.13 1.61 1.11 -1.14 -4.61 116.67 117.16 1uep s ASP 57 Ca 0.00 2.18 -0.27 0.00 0.18 0.00 0.00 52.55 54.64 1uep s ASP 57 Cb 0.00 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1uep s ASP 57 CO 0.00 -0.61 0.90 -0.70 1.18 0.00 0.00 175.17 175.94 1uep s GLU 58 N 1.36 4.37 0.37 8.23 2.12 -1.20 -0.33 118.70 133.63 1uep s GLU 58 Ca 0.62 1.18 -0.25 0.00 0.36 0.00 0.00 54.97 56.89 1uep s GLU 58 Cb -0.33 -3.55 -0.09 0.00 0.26 0.00 0.00 34.13 30.41 1uep s GLU 58 CO 0.29 -0.29 1.01 -0.51 -0.54 0.00 0.00 175.26 175.22 1uep s LEU 59 N 1.97 4.21 0.04 2.70 1.43 0.95 0.23 118.68 130.21 1uep s LEU 59 Ca 0.43 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1uep s LEU 59 Cb -0.17 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1uep s LEU 59 CO 0.15 -0.33 0.00 0.52 0.23 0.00 0.00 176.35 176.93 1uep n VAL 60 N 0.15 0.52 -4.40 -1.59 0.31 0.41 -4.55 118.33 109.18 1uep n VAL 60 Ca 0.04 0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 64.33 1uep n VAL 60 Cb 0.50 -1.53 -0.13 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.00 1.39 -0.04 3.52 2.02 -0.94 -0.82 117.35 120.48 1uep s TYR 61 Ca 0.00 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1uep s TYR 61 Cb 0.00 -0.82 0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1uep s TYR 61 CO 0.00 0.06 0.06 0.08 -1.57 0.00 0.00 175.55 174.18 1uep s VAL 62 N -0.88 -0.10 -0.95 0.71 1.01 -0.48 -1.42 120.40 118.29 1uep s VAL 62 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1uep s VAL 62 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1uep s VAL 62 CO 0.02 0.17 0.00 -0.67 0.00 0.00 0.00 175.10 174.61 1uep n ASP 63 N 5.15 -3.91 0.00 3.32 2.03 0.21 -1.07 116.55 122.29 1uep n ASP 63 Ca -0.06 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1uep n ASP 63 Cb 0.50 -3.14 0.00 0.00 -0.72 0.00 0.00 41.12 37.76 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 0.09 0.71 3.69 0.27 0.00 -1.26 -4.83 105.19 103.85 1uep n GLY 64 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 4.91 -0.17 -0.61 1.09 -0.23 -4.96 121.20 118.94 1uep s ILE 65 Ca 0.00 1.66 -0.29 0.00 -1.10 0.00 0.00 60.65 60.92 1uep s ILE 65 Cb 0.00 -4.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.22 1uep s ILE 65 CO 0.00 0.09 1.55 -2.16 -0.10 0.00 0.00 174.94 174.32 1uep s PRO 66 N 1.71 3.99 0.00 2.79 0.04 -1.26 -1.38 135.00 140.89 1uep s PRO 66 Ca 0.40 1.80 0.29 0.00 0.04 0.00 0.00 61.00 63.53 1uep s PRO 66 Cb -0.17 -3.97 1.42 0.00 0.04 0.00 0.00 34.50 31.82 1uep s PRO 66 CO 0.16 -1.05 1.98 1.33 0.04 0.00 0.00 177.00 179.46 1uep n VAL 67 N 5.94 0.06 -2.14 -0.36 0.24 -0.00 -4.82 118.33 117.25 1uep n VAL 67 Ca 0.17 0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 62.06 1uep n VAL 67 Cb 0.44 -0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.63 3.62 0.00 2.33 0.00 -1.25 -1.94 121.76 121.89 1uep s ALA 68 Ca 0.25 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1uep s ALA 68 Cb 0.19 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1uep s ALA 68 CO 0.45 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1uep n GLY 69 N 3.90 1.68 0.00 0.00 0.00 -1.26 -4.98 105.19 104.53 1uep n GLY 69 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1uep n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uep n LYS 70 N -2.00 0.35 -4.60 1.61 4.76 -0.82 -3.91 118.16 113.54 1uep n LYS 70 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1uep n LYS 70 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1uep n LYS 70 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1uep s THR 71 N -0.43 1.91 0.13 -0.18 -4.23 -1.26 -3.72 115.64 107.85 1uep s THR 71 Ca 0.00 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 1uep s THR 71 Cb 0.00 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 1uep s THR 71 CO 0.00 0.00 1.35 1.57 -0.54 0.00 0.00 174.62 177.00 1uep n HIS 72 N -0.94 -0.35 -0.31 3.99 -0.00 0.24 -1.25 115.22 116.60 1uep n HIS 72 Ca -0.05 0.99 0.12 0.00 -0.00 0.00 0.00 57.72 58.78 1uep n HIS 72 Cb 0.67 -0.56 0.26 0.00 -0.00 0.00 0.00 29.99 30.37 1uep n HIS 72 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1uep h ARG 73 N 0.00 0.08 -0.92 1.57 9.65 -1.92 -0.81 114.38 122.03 1uep h ARG 73 Ca 0.13 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1uep h ARG 73 Cb 0.32 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 1uep h ARG 73 CO -0.74 0.05 0.60 -0.92 2.80 0.00 0.00 179.97 181.76 1uep h TYR 74 N 0.08 1.13 -0.01 2.20 5.03 -1.56 -0.95 116.97 122.89 1uep h TYR 74 Ca 0.55 0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.70 1uep h TYR 74 Cb 1.10 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 1uep h TYR 74 CO -0.42 0.66 -0.82 0.28 -1.32 0.00 0.00 178.16 176.54 1uep h VAL 75 N 1.17 1.49 -0.97 1.81 2.07 -1.08 -1.55 116.25 119.20 1uep h VAL 75 Ca 0.36 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1uep h VAL 75 Cb -0.01 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1uep h VAL 75 CO -0.11 0.74 0.62 0.40 0.02 0.00 0.00 177.57 179.23 1uep h ILE 76 N 0.10 1.26 -0.43 4.57 1.08 -0.80 0.18 117.51 123.46 1uep h ILE 76 Ca -0.03 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1uep h ILE 76 Cb 1.43 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1uep h ILE 76 CO 0.12 0.25 0.28 0.44 -0.69 0.00 0.00 178.15 178.56 1uep h ASP 77 N 1.32 0.50 -0.09 1.72 3.32 -0.98 -2.14 116.42 120.06 1uep h ASP 77 Ca 0.35 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1uep h ASP 77 Cb -0.12 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1uep h ASP 77 CO -0.07 0.37 0.05 -0.07 -1.72 0.00 0.00 179.24 177.80 1uep h LEU 78 N 0.58 0.12 -1.66 1.55 -0.00 -0.34 -1.66 115.31 113.90 1uep h LEU 78 Ca 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1uep h LEU 78 Cb -0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1uep h LEU 78 CO -0.03 0.17 0.22 0.24 -0.00 0.00 0.00 178.44 179.03 1uep h MET 79 N 0.06 0.44 -0.42 1.13 2.86 -0.60 0.29 114.93 118.70 1uep h MET 79 Ca 0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1uep h MET 79 Cb 0.07 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1uep h MET 79 CO -0.01 0.30 0.22 0.45 1.06 0.00 0.00 176.91 178.93 1uep h HIS 80 N 0.46 0.58 0.89 -0.22 3.86 -1.06 -1.39 115.15 118.27 1uep h HIS 80 Ca 0.12 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1uep h HIS 80 Cb -0.04 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.25 1uep h HIS 80 CO 0.00 0.46 -0.44 1.25 0.86 0.00 0.00 177.93 180.06 1uep h HIS 81 N 0.54 -1.15 -0.73 2.45 6.17 -0.15 -3.23 115.15 119.05 1uep h HIS 81 Ca 0.15 -0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.25 1uep h HIS 81 Cb 0.08 0.38 -0.04 0.00 2.52 0.00 0.00 27.41 30.35 1uep h HIS 81 CO -0.02 -0.70 0.48 0.00 0.71 0.00 0.00 177.93 178.40 1uep h ALA 82 N -1.10 1.63 -0.74 5.26 0.00 -0.50 0.10 119.26 123.90 1uep h ALA 82 Ca -0.12 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1uep h ALA 82 Cb 0.93 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1uep h ALA 82 CO 0.19 0.28 0.49 0.00 0.00 0.00 0.00 179.25 180.21 1uep h ALA 83 N 1.59 2.01 -0.29 0.00 0.00 -1.27 -0.63 119.26 120.67 1uep h ALA 83 Ca 0.30 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1uep h ALA 83 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uep h ALA 83 CO -0.09 -0.20 -0.38 0.00 0.00 0.00 0.00 179.25 178.59 1uep h ARG 84 N 0.49 0.76 0.00 0.00 3.08 -0.84 -3.20 114.38 114.67 1uep h ARG 84 Ca 0.36 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1uep h ARG 84 Cb 0.71 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1uep h ARG 84 CO -0.12 1.06 0.00 0.09 -1.07 0.00 0.00 179.97 179.93 1uep n ASN 85 N -4.18 0.04 0.00 7.04 3.02 -0.27 -4.84 115.26 116.07 1uep n ASN 85 Ca -0.04 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1uep n ASN 85 Cb 0.53 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1uep n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uep n GLY 86 N -1.19 0.87 3.26 7.41 0.00 -1.06 -4.92 105.19 109.55 1uep n GLY 86 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1uep n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uep n GLN 87 N -2.11 0.98 -3.69 1.61 10.64 -1.24 -1.17 117.38 122.39 1uep n GLN 87 Ca 0.00 -1.95 -0.10 0.00 -1.83 0.00 0.00 57.00 53.12 1uep n GLN 87 Cb 0.00 2.41 -0.10 0.00 -0.86 0.00 0.00 30.24 31.70 1uep n GLN 87 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1uep s VAL 88 N -2.23 -0.02 0.26 -0.39 0.11 0.94 -4.39 120.40 114.69 1uep s VAL 88 Ca 0.14 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.99 1uep s VAL 88 Cb -0.04 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 1uep s VAL 88 CO 0.11 0.03 0.91 0.21 -3.33 0.00 0.00 175.10 173.03 1uep s ASN 89 N 1.30 7.48 -0.06 3.54 3.84 -1.26 -0.67 114.94 129.11 1uep s ASN 89 Ca -0.09 1.85 -0.01 0.00 0.21 0.00 0.00 52.86 54.83 1uep s ASN 89 Cb -0.07 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.07 1uep s ASN 89 CO -0.12 0.07 -0.00 -0.76 -2.79 0.00 0.00 177.10 173.50 1uep s LEU 90 N -1.55 0.76 -0.26 3.21 1.43 -0.74 -0.62 118.68 120.91 1uep s LEU 90 Ca 0.44 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1uep s LEU 90 Cb -0.22 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.63 1uep s LEU 90 CO 0.28 -0.16 -0.05 -0.89 0.23 0.00 0.00 176.35 175.75 1uep s THR 91 N 1.69 2.81 0.41 5.49 2.01 -0.51 -0.82 115.64 126.73 1uep s THR 91 Ca 0.00 -1.20 0.07 0.00 0.31 0.00 0.00 61.69 60.88 1uep s THR 91 Cb -0.13 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.89 1uep s THR 91 CO -0.04 0.09 0.57 0.68 -0.69 0.00 0.00 174.62 175.23 1uep s VAL 92 N 1.28 3.26 -0.03 3.82 -7.23 -0.24 -0.44 120.40 120.82 1uep s VAL 92 Ca -0.02 -0.96 -0.15 0.00 -1.81 0.00 0.00 61.98 59.04 1uep s VAL 92 Cb -0.18 -3.11 0.03 0.00 0.56 0.00 0.00 36.38 33.68 1uep s VAL 92 CO -0.04 -0.05 0.33 0.00 -0.31 0.00 0.00 175.10 175.03 1uep s ARG 93 N -4.35 0.65 -0.13 4.82 1.70 0.14 -0.07 118.95 121.71 1uep s ARG 93 Ca 0.53 -0.11 -0.05 0.00 -0.47 0.00 0.00 55.73 55.63 1uep s ARG 93 Cb -0.10 0.29 0.06 0.00 -0.57 0.00 0.00 34.95 34.63 1uep s ARG 93 CO 0.33 -0.17 0.27 1.03 -1.08 0.00 0.00 175.30 175.68 1uep s ARG 94 N -1.16 0.19 0.46 3.89 0.52 -0.57 -3.22 118.95 119.06 1uep s ARG 94 Ca -0.12 0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 55.55 1uep s ARG 94 Cb -0.05 -0.05 -0.10 0.00 0.52 0.00 0.00 34.95 35.28 1uep s ARG 94 CO 0.04 -0.24 0.92 1.17 0.02 0.00 0.00 175.30 177.22 1uep n LYS 95 N 4.91 1.14 -3.59 3.54 0.00 -1.26 -2.04 118.16 120.85 1uep n LYS 95 Ca -0.14 0.41 -0.38 0.00 0.00 0.00 0.00 58.31 58.21 1uep n LYS 95 Cb 0.51 -1.99 -0.10 0.00 0.00 0.00 0.00 35.03 33.45 1uep n LYS 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1uep s VAL 96 N -1.37 5.31 0.00 3.15 1.01 -1.26 -4.83 120.40 122.41 1uep s VAL 96 Ca 0.66 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1uep s VAL 96 Cb -0.53 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1uep s VAL 96 CO 0.55 0.28 0.00 -0.11 0.00 0.00 0.00 175.10 175.82 1uep n LEU 97 N 4.76 0.00 -3.59 3.92 0.00 -1.26 -4.86 117.00 115.96 1uep n LEU 97 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.78 1uep n LEU 97 Cb 0.52 0.10 -0.02 0.00 0.00 0.00 0.00 43.42 44.02 1uep n LEU 97 CO 0.34 -0.38 0.51 -0.44 0.00 0.00 0.00 177.39 177.42 1uep s SER 98 N -3.80 -0.40 0.00 1.96 0.01 -1.26 -5.17 113.70 105.03 1uep s SER 98 Ca 0.00 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1uep s SER 98 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1uep s SER 98 CO 0.00 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1uep n GLY 99 N -0.39 0.92 3.60 3.44 0.00 -1.26 -5.00 105.19 106.50 1uep n GLY 99 Ca -0.11 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 0.66 3.27 -1.37 1.61 0.04 -1.26 -4.89 135.00 133.05 1uep s PRO 100 Ca 0.00 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1uep s PRO 100 Cb 0.00 -4.28 0.09 0.00 0.04 0.00 0.00 34.50 30.35 1uep s PRO 100 CO 0.00 -1.94 2.31 0.43 0.04 0.00 0.00 177.00 177.84 1uep n SER 101 N 10.86 6.88 -4.18 6.66 7.64 -1.26 -4.88 113.62 135.35 1uep n SER 101 Ca 0.26 -3.01 -0.40 0.00 1.01 0.00 0.00 58.87 56.73 1uep n SER 101 Cb 0.46 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 1uep n SER 101 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uep n SER 102 N 3.08 3.80 0.00 6.43 3.41 -1.26 -5.32 113.62 123.75 1uep n SER 102 Ca 0.57 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1uep n SER 102 Cb 0.29 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49