#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 0.00 1.61 7.64 -1.26 -5.07 113.62 116.54 1uep n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uep n SER 2 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1uep n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uep n SER 3 N -1.81 0.00 -3.15 6.43 7.64 -1.26 -5.13 113.62 116.34 1uep n SER 3 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1uep n SER 3 Cb 0.00 0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1uep n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uep s GLY 4 N -3.35 -1.19 1.15 0.23 0.00 -1.26 -4.93 107.32 97.97 1uep s GLY 4 Ca 0.00 1.29 -0.15 0.00 0.00 0.00 0.00 44.72 45.85 1uep s GLY 4 CO 0.00 3.69 1.06 -0.56 0.00 0.00 0.00 173.10 177.29 1uep s SER 5 N 2.85 1.27 0.45 1.64 0.01 -1.26 -4.98 113.70 113.67 1uep s SER 5 Ca 0.13 1.10 -0.24 0.00 1.31 0.00 0.00 55.95 58.24 1uep s SER 5 Cb -0.10 -1.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.38 1uep s SER 5 CO -0.25 -3.96 1.28 -0.44 0.41 0.00 0.00 173.24 170.28 1uep s SER 6 N -3.25 6.06 0.07 2.44 0.01 -1.26 -4.54 113.70 113.24 1uep s SER 6 Ca 0.68 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1uep s SER 6 Cb -0.18 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1uep s SER 6 CO 0.59 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1uep n GLY 7 N 0.62 1.67 3.68 3.44 0.00 -1.26 -4.88 105.19 108.47 1uep n GLY 7 Ca 0.06 0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.42 -3.08 1.61 0.18 -1.26 -4.67 117.16 112.35 1uep n TYR 8 Ca 0.00 0.08 -0.40 0.00 1.88 0.00 0.00 57.90 59.46 1uep n TYR 8 Cb 0.00 -2.63 -0.06 0.00 -0.38 0.00 0.00 39.34 36.27 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 2.09 4.23 -0.45 -3.48 1.02 -1.08 -4.75 119.74 117.32 1uep s LYS 9 Ca 0.82 0.68 -0.26 0.00 0.02 0.00 0.00 55.97 57.23 1uep s LYS 9 Cb -0.61 -3.57 0.03 0.00 -0.52 0.00 0.00 37.83 33.15 1uep s LYS 9 CO 0.40 -0.25 0.98 -1.21 -0.92 0.00 0.00 175.35 174.36 1uep s GLU 10 N 1.92 3.65 0.03 1.68 2.02 -1.26 -2.64 118.70 124.09 1uep s GLU 10 Ca 0.30 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.64 1uep s GLU 10 Cb -0.16 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 1uep s GLU 10 CO 0.11 -1.21 0.17 -0.51 0.02 0.00 0.00 175.26 173.84 1uep s LEU 11 N 3.88 4.25 0.24 1.80 1.02 0.10 -4.93 118.68 125.03 1uep s LEU 11 Ca 0.40 0.25 0.06 0.00 0.02 0.00 0.00 54.13 54.85 1uep s LEU 11 Cb -0.10 -2.72 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 1uep s LEU 11 CO 0.26 0.21 0.29 -1.81 0.02 0.00 0.00 176.35 175.32 1uep s ASP 12 N -2.23 6.01 -0.01 2.29 1.11 -1.26 -0.35 116.67 122.23 1uep s ASP 12 Ca 0.31 -0.05 0.01 0.00 0.18 0.00 0.00 52.55 52.99 1uep s ASP 12 Cb -0.13 -1.69 0.01 0.00 1.07 0.00 0.00 42.92 42.18 1uep s ASP 12 CO 0.23 -0.05 -0.01 -0.69 1.18 0.00 0.00 175.17 175.83 1uep s VAL 13 N -2.02 0.15 -0.11 -1.27 1.01 0.27 -4.90 120.40 113.53 1uep s VAL 13 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1uep s VAL 13 Cb -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1uep s VAL 13 CO 0.27 0.07 -0.14 -2.28 0.00 0.00 0.00 175.10 173.02 1uep s HIS 14 N 0.21 1.86 -0.03 5.22 2.46 -1.26 -0.37 115.29 123.38 1uep s HIS 14 Ca -0.02 -0.88 0.04 0.00 0.47 0.00 0.00 55.06 54.67 1uep s HIS 14 Cb -0.04 -1.37 -0.00 0.00 -0.13 0.00 0.00 32.58 31.04 1uep s HIS 14 CO -0.01 -0.47 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.13 1uep s LEU 15 N 1.08 1.91 0.34 8.88 1.43 -0.22 -5.00 118.68 127.10 1uep s LEU 15 Ca -0.05 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1uep s LEU 15 Cb -0.15 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.16 1uep s LEU 15 CO -0.03 0.15 0.65 0.00 0.23 0.00 0.00 176.35 177.35 1uep s ARG 16 N -0.02 3.69 -0.73 1.70 1.70 -1.26 -0.52 118.95 123.50 1uep s ARG 16 Ca -0.02 0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.45 1uep s ARG 16 Cb -0.10 -2.54 0.18 0.00 -0.57 0.00 0.00 34.95 31.92 1uep s ARG 16 CO 0.01 0.10 0.55 0.50 -1.08 0.00 0.00 175.30 175.38 1uep s ARG 17 N -3.71 2.70 0.00 3.89 3.52 0.48 -3.39 118.95 122.43 1uep s ARG 17 Ca 0.47 -3.07 0.00 0.00 -0.13 0.00 0.00 55.73 52.99 1uep s ARG 17 Cb -0.10 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 1uep s ARG 17 CO 0.31 -1.23 0.00 -1.33 -0.81 0.00 0.00 175.30 172.24 1uep n MET 18 N 2.53 0.28 0.00 5.12 2.81 -1.26 -4.83 117.12 121.78 1uep n MET 18 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1uep n MET 18 Cb 0.36 -0.56 0.00 0.00 -0.71 0.00 0.00 33.22 32.30 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 -1.12 0.00 0.00 0.03 1.02 -1.26 -4.89 120.64 114.43 1uep n GLU 19 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1uep n GLU 19 Cb 0.06 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1uep n SER 20 N -0.75 0.61 -1.19 1.62 7.64 -1.26 -5.07 113.62 115.22 1uep n SER 20 Ca 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1uep n SER 20 Cb 0.00 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.27 -0.33 7.00 0.23 0.00 -1.26 -4.90 105.19 106.20 1uep n GLY 21 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.47 0.00 0.00 1.61 3.72 -1.22 -4.82 117.46 116.28 1uep n PHE 22 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1uep n PHE 22 Cb 0.08 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.00 -0.37 3.27 1.37 0.00 -1.26 -2.24 105.19 105.96 1uep n GLY 23 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.44 0.21 1.61 -0.12 -1.26 -0.55 117.98 119.31 1uep s PHE 24 Ca 0.00 -1.38 0.04 0.00 -0.05 0.00 0.00 56.93 55.54 1uep s PHE 24 Cb 0.00 -0.73 -0.05 0.00 -0.63 0.00 0.00 43.02 41.61 1uep s PHE 24 CO 0.00 -0.59 -0.04 0.50 -0.05 0.00 0.00 175.22 175.04 1uep s ARG 25 N -3.93 1.27 -0.05 1.99 3.52 0.21 -4.87 118.95 117.09 1uep s ARG 25 Ca 0.38 -1.61 -0.02 0.00 -0.13 0.00 0.00 55.73 54.35 1uep s ARG 25 Cb 0.06 -0.68 0.04 0.00 -1.56 0.00 0.00 34.95 32.80 1uep s ARG 25 CO 0.16 -0.02 0.09 0.96 -0.81 0.00 0.00 175.30 175.68 1uep s ILE 26 N -3.34 -0.14 0.33 4.11 -4.36 -1.26 -0.01 121.20 116.53 1uep s ILE 26 Ca 0.25 0.35 0.07 0.00 -0.26 0.00 0.00 60.65 61.06 1uep s ILE 26 Cb 0.04 -0.19 -0.03 0.00 1.25 0.00 0.00 42.46 43.54 1uep s ILE 26 CO 0.06 0.15 0.27 -0.76 0.24 0.00 0.00 174.94 174.90 1uep s LEU 27 N 1.92 1.74 0.00 0.37 1.43 -1.18 -4.63 118.68 118.33 1uep s LEU 27 Ca 0.01 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 1uep s LEU 27 Cb -0.12 0.55 0.00 0.00 0.03 0.00 0.00 46.19 46.65 1uep s LEU 27 CO -0.04 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.09 1uep n GLY 28 N -0.62 -1.00 2.51 -3.19 0.00 -1.26 -3.50 105.19 98.13 1uep n GLY 28 Ca 0.07 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.50 0.24 -0.02 0.00 -0.68 -4.44 105.19 99.79 1uep n GLY 29 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1uep n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uep h ASP 30 N -0.25 0.27 -3.15 1.61 5.19 -1.90 0.17 116.42 118.36 1uep h ASP 30 Ca -0.50 -0.06 -0.64 0.00 -0.62 0.00 0.00 57.03 55.20 1uep h ASP 30 Cb 1.37 -0.07 -0.16 0.00 0.18 0.00 0.00 39.33 40.65 1uep h ASP 30 CO 0.59 0.44 -0.76 -1.61 -3.12 0.00 0.00 179.24 174.78 1uep s GLU 31 N -4.70 1.88 -0.95 3.56 0.41 -1.26 -4.78 118.70 112.86 1uep s GLU 31 Ca -0.06 -1.32 -0.24 0.00 -0.41 0.00 0.00 54.97 52.94 1uep s GLU 31 Cb 0.15 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 1uep s GLU 31 CO 0.74 0.43 1.68 -1.25 -0.49 0.00 0.00 175.26 176.37 1uep s PRO 32 N -2.69 3.09 0.00 0.39 0.04 -1.26 -1.56 135.00 133.02 1uep s PRO 32 Ca 0.23 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1uep s PRO 32 Cb -0.09 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1uep s PRO 32 CO 0.13 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1uep n GLY 33 N 6.81 0.16 3.80 0.56 0.00 -0.93 -4.88 105.19 110.71 1uep n GLY 33 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 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 2.81 0.43 1.61 -0.21 -0.60 -4.81 119.66 118.89 1uep s GLN 34 Ca 0.00 1.05 -0.25 0.00 0.02 0.00 0.00 55.36 56.19 1uep s GLN 34 Cb 0.00 -1.97 -0.08 0.00 1.00 0.00 0.00 33.01 31.96 1uep s GLN 34 CO 0.00 -1.21 1.25 -1.25 -2.12 0.00 0.00 175.29 171.96 1uep s PRO 35 N -4.87 3.84 -0.54 2.91 0.04 -1.26 -4.26 135.00 130.85 1uep s PRO 35 Ca 0.60 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.63 1uep s PRO 35 Cb -0.15 -2.59 0.14 0.00 0.04 0.00 0.00 34.50 31.93 1uep s PRO 35 CO 0.53 -0.55 0.33 0.42 0.04 0.00 0.00 177.00 177.77 1uep s ILE 36 N -1.37 3.30 0.40 0.56 1.01 -1.26 -1.69 121.20 122.14 1uep s ILE 36 Ca 0.60 -2.82 -0.01 0.00 0.00 0.00 0.00 60.65 58.42 1uep s ILE 36 Cb -0.34 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1uep s ILE 36 CO 0.43 -0.81 0.63 -0.76 0.00 0.00 0.00 174.94 174.44 1uep s LEU 37 N 0.18 3.87 -0.04 2.97 1.43 -1.23 0.03 118.68 125.89 1uep s LEU 37 Ca 0.15 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1uep s LEU 37 Cb -0.22 -3.50 -0.06 0.00 0.03 0.00 0.00 46.19 42.44 1uep s LEU 37 CO -0.03 -0.41 1.71 -0.63 0.23 0.00 0.00 176.35 177.22 1uep s ILE 38 N -2.47 3.49 0.19 -0.59 -1.09 0.81 -3.10 121.20 118.44 1uep s ILE 38 Ca 0.43 0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 59.32 1uep s ILE 38 Cb -0.10 -3.38 0.10 0.00 -1.58 0.00 0.00 42.46 37.50 1uep s ILE 38 CO 0.39 -0.06 1.79 1.23 -1.23 0.00 0.00 174.94 177.07 1uep h GLY 39 N 10.35 0.82 -2.61 6.18 0.00 -0.69 -0.08 103.07 117.03 1uep h GLY 39 Ca -0.41 -0.21 0.28 0.00 0.00 0.00 0.00 47.33 46.99 1uep h GLY 39 CO 0.95 0.13 0.71 0.00 0.00 0.00 0.00 176.54 178.34 1uep s ALA 40 N -6.12 -2.04 -0.05 3.60 0.00 -1.12 -4.76 121.76 111.28 1uep s ALA 40 Ca -0.13 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1uep s ALA 40 Cb 0.15 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1uep s ALA 40 CO 0.75 -1.05 -0.19 0.08 0.00 0.00 0.00 175.76 175.35 1uep s VAL 41 N -2.71 2.67 -0.30 0.00 1.01 -1.26 -0.62 120.40 119.20 1uep s VAL 41 Ca 0.14 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1uep s VAL 41 Cb 0.03 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1uep s VAL 41 CO -0.02 0.58 0.84 -0.63 0.00 0.00 0.00 175.10 175.87 1uep s ILE 42 N -0.52 4.76 0.13 2.22 -1.09 0.29 -4.95 121.20 122.03 1uep s ILE 42 Ca 0.07 1.31 -0.19 0.00 -2.23 0.00 0.00 60.65 59.62 1uep s ILE 42 Cb -0.11 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1uep s ILE 42 CO 0.01 -0.26 1.75 0.00 -1.23 0.00 0.00 174.94 175.21 1uep h ALA 43 N 8.06 0.28 -0.74 9.38 0.00 -1.99 -1.16 119.26 133.09 1uep h ALA 43 Ca -0.24 0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.22 1uep h ALA 43 Cb 1.09 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 1uep h ALA 43 CO 0.91 -0.32 0.62 -1.33 0.00 0.00 0.00 179.25 179.12 1uep n MET 44 N -5.03 2.18 -3.62 0.00 2.81 -1.26 -4.53 117.12 107.68 1uep n MET 44 Ca -0.02 -2.39 -0.20 0.00 -1.81 0.00 0.00 57.70 53.28 1uep n MET 44 Cb 0.08 -1.94 -0.03 0.00 -0.71 0.00 0.00 33.22 30.63 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 -0.81 1.86 0.20 3.03 0.00 -0.44 -5.03 107.32 106.13 1uep s GLY 45 Ca 0.47 -1.68 0.25 0.00 0.00 0.00 0.00 44.72 43.75 1uep s GLY 45 CO 0.01 -1.57 1.75 -1.26 0.00 0.00 0.00 173.10 172.03 1uep n SER 46 N -1.50 0.66 -0.04 1.64 2.88 -0.95 -3.05 113.62 113.26 1uep n SER 46 Ca 0.01 0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 58.02 1uep n SER 46 Cb 0.60 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 63.19 1uep n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uep h ALA 47 N 2.47 -0.02 0.36 -1.46 0.00 -1.76 -3.10 119.26 115.75 1uep h ALA 47 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uep h ALA 47 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1uep h ALA 47 CO 0.00 -0.13 -0.52 0.22 0.00 0.00 0.00 179.25 178.82 1uep h ASP 48 N -0.79 -1.48 0.04 0.00 1.82 -1.71 -2.40 116.42 111.89 1uep h ASP 48 Ca -0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1uep h ASP 48 Cb 0.74 0.51 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1uep h ASP 48 CO 0.00 -0.63 0.00 0.08 -1.61 0.00 0.00 179.24 177.08 1uep h ARG 49 N -0.92 0.00 0.00 0.28 0.11 -1.69 -2.66 114.38 109.50 1uep h ARG 49 Ca -0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 1uep h ARG 49 Cb 0.84 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.92 1uep h ARG 49 CO -0.15 0.00 -0.04 0.22 0.10 0.00 0.00 179.97 180.09 1uep h ASP 50 N 0.00 0.00 -0.17 0.08 3.58 -1.34 -3.47 116.42 115.09 1uep h ASP 50 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1uep h ASP 50 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1uep h ASP 50 CO 0.00 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 1uep n GLY 51 N 0.15 0.73 1.98 -0.78 0.00 -1.00 -4.97 105.19 101.29 1uep n GLY 51 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.87 0.00 -2.40 1.61 1.74 -1.26 -5.11 116.66 110.36 1uep n ARG 52 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1uep n ARG 52 Cb 0.41 -0.01 -0.04 0.00 -1.02 0.00 0.00 32.46 31.81 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 -5.95 4.44 0.07 0.55 1.43 -1.26 -5.05 118.68 112.91 1uep s LEU 53 Ca 0.00 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.44 1uep s LEU 53 Cb 0.00 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1uep s LEU 53 CO 0.00 -0.31 -0.08 -1.00 0.23 0.00 0.00 176.35 175.19 1uep s HIS 54 N -1.25 0.82 0.35 0.29 3.76 -1.26 -4.70 115.29 113.31 1uep s HIS 54 Ca 0.48 -0.70 -0.28 0.00 -0.15 0.00 0.00 55.06 54.41 1uep s HIS 54 Cb -0.32 -0.48 -0.12 0.00 1.11 0.00 0.00 32.58 32.77 1uep s HIS 54 CO 0.41 -0.10 1.34 -2.30 -0.85 0.00 0.00 174.74 173.24 1uep n PRO 55 N 0.68 2.26 -0.98 8.40 -0.02 -1.26 -2.74 135.00 141.34 1uep n PRO 55 Ca -0.17 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1uep n PRO 55 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1uep n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uep n GLY 56 N 0.68 0.87 3.71 -1.23 0.00 -0.04 -4.95 105.19 104.23 1uep n GLY 56 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.78 6.40 0.14 1.61 1.01 -1.11 -4.43 116.67 117.52 1uep s ASP 57 Ca 0.00 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 55.79 1uep s ASP 57 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 1uep s ASP 57 CO 0.00 -0.97 1.21 -0.70 0.21 0.00 0.00 175.17 174.92 1uep s GLU 58 N 1.47 4.46 0.25 8.23 2.12 -1.14 -0.13 118.70 133.96 1uep s GLU 58 Ca 0.76 1.85 -0.14 0.00 0.36 0.00 0.00 54.97 57.80 1uep s GLU 58 Cb -0.49 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 30.55 1uep s GLU 58 CO 0.33 -0.17 0.66 -0.51 -0.54 0.00 0.00 175.26 175.03 1uep s LEU 59 N 0.29 4.18 0.05 2.70 1.43 0.10 -0.80 118.68 126.64 1uep s LEU 59 Ca 0.56 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1uep s LEU 59 Cb -0.32 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1uep s LEU 59 CO 0.34 -0.08 0.00 0.52 0.23 0.00 0.00 176.35 177.35 1uep n VAL 60 N 0.06 0.37 -4.28 -1.59 0.31 0.12 -4.65 118.33 108.67 1uep n VAL 60 Ca 0.00 0.12 -0.20 0.00 -0.01 0.00 0.00 64.34 64.26 1uep n VAL 60 Cb 0.52 -1.32 -0.13 0.00 -0.91 0.00 0.00 33.84 32.00 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 1.30 -0.03 3.52 1.51 -0.91 -0.74 117.35 120.00 1uep s TYR 61 Ca 0.00 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1uep s TYR 61 Cb 0.00 -0.75 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1uep s TYR 61 CO 0.00 0.06 0.04 0.08 -1.11 0.00 0.00 175.55 174.62 1uep s VAL 62 N -1.05 -0.06 0.00 0.71 1.01 -0.56 -1.27 120.40 119.18 1uep s VAL 62 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1uep s VAL 62 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1uep s VAL 62 CO 0.02 0.14 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1uep n ASP 63 N 4.76 -2.18 0.00 3.32 2.03 -0.41 -1.00 116.55 123.06 1uep n ASP 63 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1uep n ASP 63 Cb 0.50 -2.35 0.00 0.00 -0.72 0.00 0.00 41.12 38.55 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 -1.12 1.76 3.61 0.27 0.00 -1.26 -4.95 105.19 103.50 1uep n GLY 64 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 4.35 -0.44 -0.61 1.09 -0.17 -5.03 121.20 118.36 1uep s ILE 65 Ca 0.00 -0.21 -0.28 0.00 -1.10 0.00 0.00 60.65 59.06 1uep s ILE 65 Cb 0.00 -2.90 0.01 0.00 -1.06 0.00 0.00 42.46 38.51 1uep s ILE 65 CO 0.00 0.53 1.46 -2.16 -0.10 0.00 0.00 174.94 174.67 1uep s PRO 66 N -0.11 3.47 0.00 2.79 0.04 -1.26 -1.49 135.00 138.44 1uep s PRO 66 Ca 0.05 0.88 0.25 0.00 0.04 0.00 0.00 61.00 62.22 1uep s PRO 66 Cb -0.13 -4.07 1.23 0.00 0.04 0.00 0.00 34.50 31.57 1uep s PRO 66 CO 0.02 -1.70 1.85 1.33 0.04 0.00 0.00 177.00 178.54 1uep n VAL 67 N 7.08 0.21 -2.01 -0.36 0.24 0.08 -4.81 118.33 118.76 1uep n VAL 67 Ca 0.16 0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 62.09 1uep n VAL 67 Cb 0.48 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.70 2.78 0.00 2.33 0.00 -1.19 -1.33 121.76 121.66 1uep s ALA 68 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1uep s ALA 68 Cb 0.17 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1uep s ALA 68 CO 0.41 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.80 1uep n GLY 69 N 5.45 0.60 0.00 0.00 0.00 -1.26 -4.98 105.19 104.99 1uep n GLY 69 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.73 1.05 -4.09 1.61 4.76 -0.44 -2.19 118.16 116.13 1uep n LYS 70 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 1uep n LYS 70 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 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 0.06 2.13 0.18 -0.18 -4.23 -1.26 -3.29 115.64 109.04 1uep s THR 71 Ca 0.00 -1.65 -0.23 0.00 -1.18 0.00 0.00 61.69 58.63 1uep s THR 71 Cb 0.00 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 71.14 1uep s THR 71 CO 0.00 0.00 1.58 -0.74 -0.54 0.00 0.00 174.62 174.92 1uep h HIS 72 N 1.27 -1.09 -0.70 3.99 -0.00 -0.87 -1.98 115.15 115.76 1uep h HIS 72 Ca -0.42 0.08 0.09 0.00 -0.00 0.00 0.00 60.37 60.12 1uep h HIS 72 Cb 1.27 0.56 -0.05 0.00 -0.00 0.00 0.00 27.41 29.19 1uep h HIS 72 CO 0.75 -0.40 0.46 -0.09 -0.00 0.00 0.00 177.93 178.65 1uep h ARG 73 N -0.20 0.59 -0.45 5.26 2.43 -1.95 -0.67 114.38 119.38 1uep h ARG 73 Ca 0.21 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 1uep h ARG 73 Cb 0.56 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1uep h ARG 73 CO -0.68 0.39 -0.20 -0.92 -1.51 0.00 0.00 179.97 177.05 1uep h TYR 74 N 0.60 -0.49 -0.30 2.20 5.03 -1.76 0.93 116.97 123.18 1uep h TYR 74 Ca 0.32 0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.51 1uep h TYR 74 Cb 0.45 0.28 -0.00 0.00 1.55 0.00 0.00 36.73 39.01 1uep h TYR 74 CO -0.00 -0.28 -0.49 0.28 -1.32 0.00 0.00 178.16 176.35 1uep h VAL 75 N -0.10 1.28 -0.77 1.81 2.07 -1.19 -1.90 116.25 117.45 1uep h VAL 75 Ca 0.21 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 66.09 1uep h VAL 75 Cb 0.44 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1uep h VAL 75 CO -0.51 0.55 0.51 0.40 0.02 0.00 0.00 177.57 178.53 1uep h ILE 76 N 0.65 1.11 -0.44 4.57 1.08 -0.61 0.20 117.51 124.07 1uep h ILE 76 Ca 0.03 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1uep h ILE 76 Cb 1.08 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1uep h ILE 76 CO 0.11 0.17 0.15 0.44 -0.69 0.00 0.00 178.15 178.33 1uep h ASP 77 N 0.93 0.62 0.14 1.72 3.32 -0.64 -2.65 116.42 119.86 1uep h ASP 77 Ca 0.31 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1uep h ASP 77 Cb 0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1uep h ASP 77 CO -0.09 0.64 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.94 1uep h LEU 78 N 0.57 -0.16 -1.04 1.55 -0.00 -0.36 -2.93 115.31 112.94 1uep h LEU 78 Ca 0.14 -0.11 0.16 0.00 -0.00 0.00 0.00 57.88 58.07 1uep h LEU 78 Cb 0.23 0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 1uep h LEU 78 CO -0.01 0.02 0.62 0.24 -0.00 0.00 0.00 178.44 179.31 1uep h MET 79 N -0.33 0.84 -0.49 1.13 2.86 -0.69 0.27 114.93 118.52 1uep h MET 79 Ca -0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1uep h MET 79 Cb 0.26 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1uep h MET 79 CO 0.03 0.55 0.30 0.45 1.06 0.00 0.00 176.91 179.30 1uep h HIS 80 N 0.86 0.63 0.15 -0.22 3.86 -1.31 -0.99 115.15 118.13 1uep h HIS 80 Ca 0.53 0.01 -0.31 0.00 -1.16 0.00 0.00 60.37 59.44 1uep h HIS 80 Cb 0.71 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 28.97 1uep h HIS 80 CO -0.00 0.41 -1.51 0.45 0.86 0.00 0.00 177.93 178.14 1uep h HIS 81 N 0.67 0.59 -0.51 2.45 -0.00 -0.68 -3.28 115.15 114.40 1uep h HIS 81 Ca 0.18 -0.43 -0.04 0.00 -0.00 0.00 0.00 60.37 60.08 1uep h HIS 81 Cb -0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1uep h HIS 81 CO 0.00 1.44 0.17 0.00 -0.00 0.00 0.00 177.93 179.54 1uep h ALA 82 N 0.39 1.35 -0.17 2.45 0.00 -0.34 0.12 119.26 123.06 1uep h ALA 82 Ca -0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1uep h ALA 82 Cb 2.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1uep h ALA 82 CO 0.19 0.48 0.07 0.00 0.00 0.00 0.00 179.25 179.99 1uep h ALA 83 N 1.46 1.81 0.10 0.00 0.00 -1.31 -0.22 119.26 121.10 1uep h ALA 83 Ca 0.17 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 1uep h ALA 83 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1uep h ALA 83 CO -0.01 0.16 -1.18 0.00 0.00 0.00 0.00 179.25 178.22 1uep h ARG 84 N 0.23 0.37 0.00 0.00 3.08 -1.00 -2.09 114.38 114.98 1uep h ARG 84 Ca 0.06 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1uep h ARG 84 Cb 0.04 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1uep h ARG 84 CO -0.01 1.22 0.00 -0.91 -1.07 0.00 0.00 179.97 179.21 1uep h ASN 85 N 0.15 0.00 0.00 7.04 2.35 -0.50 -3.46 115.58 121.15 1uep h ASN 85 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1uep h ASN 85 Cb 1.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1uep h ASN 85 CO 0.20 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.59 1uep n GLY 86 N -1.00 0.70 3.51 2.83 0.00 -0.16 -4.95 105.19 106.11 1uep n GLY 86 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.23 1.05 -0.13 1.61 -2.07 -0.81 -0.39 119.66 118.69 1uep s GLN 87 Ca 0.00 0.13 0.01 0.00 -1.82 0.00 0.00 55.36 53.68 1uep s GLN 87 Cb 0.00 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.43 1uep s GLN 87 CO 0.00 -0.35 -0.15 0.54 -1.32 0.00 0.00 175.29 174.00 1uep s VAL 88 N -1.62 1.59 0.02 3.63 0.11 0.32 -4.52 120.40 119.93 1uep s VAL 88 Ca -0.08 -0.67 -0.25 0.00 -2.93 0.00 0.00 61.98 58.05 1uep s VAL 88 Cb -0.00 -1.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 1uep s VAL 88 CO 0.05 0.46 0.78 0.21 -3.33 0.00 0.00 175.10 173.28 1uep s ASN 89 N 1.22 7.19 -0.28 3.54 2.47 -1.26 -1.06 114.94 126.77 1uep s ASN 89 Ca -0.01 1.43 -0.01 0.00 0.42 0.00 0.00 52.86 54.69 1uep s ASN 89 Cb -0.14 -2.47 0.09 0.00 -1.45 0.00 0.00 41.25 37.28 1uep s ASN 89 CO -0.06 -0.04 0.06 -0.76 -3.72 0.00 0.00 177.10 172.58 1uep s LEU 90 N 0.24 2.16 -0.16 3.21 1.43 0.50 -1.29 118.68 124.78 1uep s LEU 90 Ca 0.40 -1.42 -0.24 0.00 -1.03 0.00 0.00 54.13 51.84 1uep s LEU 90 Cb -0.20 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1uep s LEU 90 CO 0.23 -0.37 0.78 -0.89 0.23 0.00 0.00 176.35 176.33 1uep s THR 91 N 1.61 4.93 0.43 5.49 2.01 -0.40 -0.57 115.64 129.15 1uep s THR 91 Ca 0.05 1.53 0.07 0.00 0.31 0.00 0.00 61.69 63.65 1uep s THR 91 Cb -0.17 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 1uep s THR 91 CO -0.18 0.07 0.27 0.68 -0.69 0.00 0.00 174.62 174.77 1uep s VAL 92 N 1.93 2.30 0.21 3.82 -7.23 0.52 -0.70 120.40 121.25 1uep s VAL 92 Ca 0.37 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.83 1uep s VAL 92 Cb -0.17 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.92 1uep s VAL 92 CO 0.13 0.00 0.47 0.00 -0.31 0.00 0.00 175.10 175.39 1uep s ARG 93 N -4.03 1.41 -0.11 4.82 1.70 0.02 -0.72 118.95 122.04 1uep s ARG 93 Ca 0.42 -1.06 -0.13 0.00 -0.47 0.00 0.00 55.73 54.49 1uep s ARG 93 Cb 0.01 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 34.90 1uep s ARG 93 CO 0.24 -0.58 0.34 1.03 -1.08 0.00 0.00 175.30 175.24 1uep s ARG 94 N -3.94 0.45 0.74 3.89 0.52 -1.08 -2.89 118.95 116.65 1uep s ARG 94 Ca 0.15 0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 55.58 1uep s ARG 94 Cb -0.00 0.22 0.05 0.00 0.52 0.00 0.00 34.95 35.73 1uep s ARG 94 CO 0.02 -0.07 1.19 0.21 0.02 0.00 0.00 175.30 176.66 1uep s LYS 95 N -0.08 2.10 0.07 3.54 2.36 -1.26 -2.65 119.74 123.82 1uep s LYS 95 Ca -0.02 1.68 0.00 0.00 -2.55 0.00 0.00 55.97 55.08 1uep s LYS 95 Cb -0.03 -1.84 -0.04 0.00 -1.05 0.00 0.00 37.83 34.88 1uep s LYS 95 CO 0.01 -1.85 -0.05 0.54 1.55 0.00 0.00 175.35 175.56 1uep s VAL 96 N -2.13 0.43 0.13 4.02 0.11 -1.26 -4.91 120.40 116.80 1uep s VAL 96 Ca 0.72 -1.75 -0.24 0.00 -2.93 0.00 0.00 61.98 57.78 1uep s VAL 96 Cb -0.27 -1.43 0.07 0.00 -1.53 0.00 0.00 36.38 33.22 1uep s VAL 96 CO 0.47 -0.87 0.67 -0.22 -3.33 0.00 0.00 175.10 171.82 1uep s LEU 97 N -2.77 -0.51 -0.12 2.54 2.96 -1.26 -4.74 118.68 114.77 1uep s LEU 97 Ca 0.06 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1uep s LEU 97 Cb 0.04 2.49 0.04 0.00 0.50 0.00 0.00 46.19 49.26 1uep s LEU 97 CO -0.06 -0.92 0.30 -0.55 -1.32 0.00 0.00 176.35 173.80 1uep s SER 98 N -2.71 -0.34 0.00 3.68 0.15 -1.26 -5.16 113.70 108.06 1uep s SER 98 Ca 0.02 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1uep s SER 98 Cb -0.01 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1uep s SER 98 CO -0.11 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1uep n GLY 99 N 3.74 1.11 3.81 9.45 0.00 -1.26 -5.15 105.19 116.89 1uep n GLY 99 Ca -0.20 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.18 3.32 0.34 1.61 0.04 -1.26 -5.00 135.00 132.88 1uep s PRO 100 Ca 0.00 1.13 0.18 0.00 0.04 0.00 0.00 61.00 62.35 1uep s PRO 100 Cb 0.00 -2.04 0.41 0.00 0.04 0.00 0.00 34.50 32.91 1uep s PRO 100 CO 0.00 -0.80 1.60 0.77 0.04 0.00 0.00 177.00 178.61 1uep h SER 101 N 0.29 0.00 0.00 6.66 0.02 -2.06 -3.49 113.55 114.97 1uep h SER 101 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1uep h SER 101 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1uep h SER 101 CO 0.58 0.41 0.00 -1.20 -1.14 0.00 0.00 176.83 175.47 1uep n SER 102 N -3.34 -0.48 0.00 3.07 7.64 -1.26 -5.31 113.62 113.94 1uep n SER 102 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1uep n SER 102 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64