#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 -1.02 1.61 7.64 -1.26 -4.94 113.62 115.65 1uep n SER 2 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1uep n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.32 -6.08 0.00 6.43 7.64 -1.26 -5.08 113.62 116.58 1uep n SER 3 Ca 0.00 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1uep n SER 3 Cb 0.00 -2.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 1uep n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 4 N -2.25 1.18 2.52 0.23 0.00 -1.26 -4.94 105.19 100.67 1uep n GLY 4 Ca 0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -2.28 -4.63 1.61 7.64 -1.26 -4.86 113.62 109.84 1uep n SER 5 Ca 0.00 -0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.28 1uep n SER 5 Cb 0.00 -0.70 0.06 0.00 -1.01 0.00 0.00 64.21 62.56 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 -0.10 0.85 0.00 6.43 7.64 -1.26 -5.00 113.62 122.19 1uep n SER 6 Ca -0.08 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1uep n SER 6 Cb 0.31 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 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 1.24 -2.03 3.63 0.23 0.00 -1.26 -4.75 105.19 102.26 1uep n GLY 7 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 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 1.73 -3.14 1.61 0.18 -1.26 -4.15 117.16 112.13 1uep n TYR 8 Ca 0.00 0.57 -0.39 0.00 1.88 0.00 0.00 57.90 59.96 1uep n TYR 8 Cb 0.00 -2.36 -0.05 0.00 -0.38 0.00 0.00 39.34 36.54 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 -0.66 4.38 0.43 -3.48 -0.14 -1.08 -4.89 119.74 114.29 1uep s LYS 9 Ca 0.68 0.80 -0.15 0.00 -1.36 0.00 0.00 55.97 55.94 1uep s LYS 9 Cb -0.72 -3.38 -0.08 0.00 -1.68 0.00 0.00 37.83 31.97 1uep s LYS 9 CO 0.53 0.26 0.86 -1.21 -0.76 0.00 0.00 175.35 175.03 1uep s GLU 10 N 0.14 3.94 0.13 1.68 2.02 -1.26 -1.76 118.70 123.59 1uep s GLU 10 Ca 0.33 0.76 0.01 0.00 0.02 0.00 0.00 54.97 56.09 1uep s GLU 10 Cb -0.18 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1uep s GLU 10 CO 0.18 -0.07 -0.01 -0.51 0.02 0.00 0.00 175.26 174.86 1uep s LEU 11 N -3.64 2.22 -0.17 1.80 1.02 0.71 -4.95 118.68 115.67 1uep s LEU 11 Ca 0.56 -1.11 0.00 0.00 0.02 0.00 0.00 54.13 53.60 1uep s LEU 11 Cb -0.10 0.02 0.03 0.00 0.02 0.00 0.00 46.19 46.16 1uep s LEU 11 CO 0.26 -0.56 -0.11 1.51 0.02 0.00 0.00 176.35 177.47 1uep s ASP 12 N -3.09 2.97 -0.12 2.29 -4.77 -1.26 -2.56 116.67 110.14 1uep s ASP 12 Ca 0.18 -0.67 -0.04 0.00 -3.30 0.00 0.00 52.55 48.72 1uep s ASP 12 Cb 0.06 -1.13 -0.03 0.00 -1.09 0.00 0.00 42.92 40.72 1uep s ASP 12 CO -0.00 -0.12 0.02 -0.69 0.70 0.00 0.00 175.17 175.08 1uep s VAL 13 N 1.49 4.46 -0.24 2.11 1.01 -0.19 -5.03 120.40 124.00 1uep s VAL 13 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1uep s VAL 13 Cb -0.15 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.38 1uep s VAL 13 CO -0.09 0.56 0.01 -2.28 0.00 0.00 0.00 175.10 173.30 1uep s HIS 14 N -0.49 1.96 -0.24 5.22 5.04 -1.26 -0.76 115.29 124.76 1uep s HIS 14 Ca 0.09 -1.58 -0.09 0.00 -1.54 0.00 0.00 55.06 51.94 1uep s HIS 14 Cb -0.12 -1.53 -0.04 0.00 0.04 0.00 0.00 32.58 30.93 1uep s HIS 14 CO 0.02 -0.76 0.12 -0.51 -2.34 0.00 0.00 174.74 171.28 1uep s LEU 15 N 1.54 3.87 0.71 8.88 1.43 -0.10 -4.96 118.68 130.04 1uep s LEU 15 Ca -0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1uep s LEU 15 Cb -0.18 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1uep s LEU 15 CO -0.10 0.04 1.06 -0.13 0.23 0.00 0.00 176.35 177.45 1uep s ARG 16 N 1.20 2.85 -0.33 1.70 3.00 -1.26 -0.54 118.95 125.56 1uep s ARG 16 Ca 0.06 0.90 0.02 0.00 0.00 0.00 0.00 55.73 56.71 1uep s ARG 16 Cb -0.14 -1.98 0.10 0.00 0.00 0.00 0.00 34.95 32.92 1uep s ARG 16 CO 0.05 -1.15 0.07 0.50 0.00 0.00 0.00 175.30 174.77 1uep s ARG 17 N -5.07 1.18 0.00 3.54 3.52 0.31 -4.12 118.95 118.31 1uep s ARG 17 Ca 0.58 -1.57 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1uep s ARG 17 Cb -0.14 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1uep s ARG 17 CO 0.55 -0.96 0.51 0.00 -0.81 0.00 0.00 175.30 174.59 1uep n MET 18 N 4.48 0.60 0.00 5.12 0.00 -1.26 -4.70 117.12 121.36 1uep n MET 18 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 57.70 57.08 1uep n MET 18 Cb 0.42 -0.69 0.00 0.00 0.00 0.00 0.00 33.22 32.95 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 -0.12 0.00 0.19 3.17 0.00 -1.26 -5.00 120.64 117.63 1uep n GLU 19 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1uep n GLU 19 Cb 0.31 0.00 0.45 0.00 0.00 0.00 0.00 31.44 32.20 1uep n GLU 19 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1uep h SER 20 N 0.00 0.05 -3.20 4.31 0.02 -1.96 -3.47 113.55 109.29 1uep h SER 20 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1uep h SER 20 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1uep h SER 20 CO 0.00 0.26 -0.06 0.61 -1.14 0.00 0.00 176.83 176.51 1uep n GLY 21 N -0.87 -1.38 6.19 -3.77 0.00 -1.26 -5.00 105.19 99.09 1uep n GLY 21 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 -1.83 -2.64 1.61 3.72 -1.26 -4.90 117.46 111.83 1uep n PHE 22 Ca 0.01 0.16 -0.03 0.00 -0.05 0.00 0.00 57.45 57.53 1uep n PHE 22 Cb 0.03 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.42 0.34 3.01 1.37 0.00 -1.26 -3.94 105.19 104.30 1uep n GLY 23 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 0.09 0.35 0.37 1.61 -0.71 -1.26 -0.91 117.98 117.52 1uep s PHE 24 Ca 0.09 -0.64 0.08 0.00 -1.04 0.00 0.00 56.93 55.42 1uep s PHE 24 Cb 0.22 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1uep s PHE 24 CO -0.06 -0.22 0.27 0.50 -1.34 0.00 0.00 175.22 174.38 1uep s ARG 25 N -1.97 2.52 -0.03 1.99 3.52 -1.11 -4.98 118.95 118.88 1uep s ARG 25 Ca -0.11 -1.49 0.03 0.00 -0.13 0.00 0.00 55.73 54.03 1uep s ARG 25 Cb -0.06 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 1uep s ARG 25 CO -0.03 -0.02 -0.12 0.42 -0.81 0.00 0.00 175.30 174.75 1uep s ILE 26 N -2.42 1.05 0.24 4.11 1.01 -1.26 -0.34 121.20 123.59 1uep s ILE 26 Ca 0.42 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1uep s ILE 26 Cb -0.03 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1uep s ILE 26 CO 0.26 0.31 0.18 0.18 0.00 0.00 0.00 174.94 175.87 1uep n LEU 27 N 3.25 0.00 0.00 2.97 4.77 0.15 -4.68 117.00 123.46 1uep n LEU 27 Ca -0.18 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 1uep n LEU 27 Cb 0.54 1.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.74 1uep n LEU 27 CO 0.25 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1uep n GLY 28 N -0.37 0.40 2.42 -0.72 0.00 -1.26 -1.54 105.19 104.12 1uep n GLY 28 Ca 0.04 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 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 0.68 0.24 -0.02 0.00 -0.27 -4.46 105.19 101.35 1uep n GLY 29 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -4.51 1.61 1.82 -1.87 0.17 116.42 113.64 1uep h ASP 30 Ca -0.41 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 55.98 1uep h ASP 30 Cb 1.27 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.13 1uep h ASP 30 CO 0.54 0.18 -0.69 -1.61 -1.61 0.00 0.00 179.24 176.04 1uep s GLU 31 N -4.44 0.91 0.00 0.28 0.41 -1.26 -4.83 118.70 109.76 1uep s GLU 31 Ca -0.03 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 1uep s GLU 31 Cb 0.15 -0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.23 1uep s GLU 31 CO 0.66 -0.02 1.39 -0.35 -0.49 0.00 0.00 175.26 176.45 1uep n PRO 32 N -0.09 0.92 -0.38 0.39 -0.04 -1.26 -1.62 135.00 132.91 1uep n PRO 32 Ca -0.11 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1uep n PRO 32 Cb 0.61 -1.04 -0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1uep n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uep n GLY 33 N 1.06 0.68 3.89 0.55 0.00 -1.26 -4.57 105.19 105.54 1uep n GLY 33 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.71 0.26 1.61 -1.52 -0.64 -4.93 119.66 118.15 1uep s GLN 34 Ca 0.00 0.22 -0.30 0.00 -1.95 0.00 0.00 55.36 53.33 1uep s GLN 34 Cb 0.00 -2.55 -0.10 0.00 -0.22 0.00 0.00 33.01 30.14 1uep s GLN 34 CO 0.00 0.13 1.45 -2.14 -0.25 0.00 0.00 175.29 174.49 1uep s PRO 35 N -3.56 4.25 -0.77 2.91 0.02 -1.26 -4.20 135.00 132.38 1uep s PRO 35 Ca 0.47 2.33 -0.15 0.00 0.02 0.00 0.00 61.00 63.67 1uep s PRO 35 Cb -0.11 -3.10 0.18 0.00 0.02 0.00 0.00 34.50 31.50 1uep s PRO 35 CO 0.29 -0.44 0.77 0.42 -0.33 0.00 0.00 177.00 177.71 1uep s ILE 36 N -0.03 5.37 0.05 2.83 1.01 -1.26 -1.11 121.20 128.05 1uep s ILE 36 Ca 0.59 -2.07 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 1uep s ILE 36 Cb -0.42 -4.49 -0.06 0.00 0.01 0.00 0.00 42.46 37.50 1uep s ILE 36 CO 0.44 -1.07 0.75 -0.76 0.00 0.00 0.00 174.94 174.29 1uep s LEU 37 N 0.93 4.45 -0.26 2.97 1.43 -0.59 0.03 118.68 127.65 1uep s LEU 37 Ca 0.17 1.43 -0.33 0.00 -1.03 0.00 0.00 54.13 54.36 1uep s LEU 37 Cb -0.14 -3.20 -0.10 0.00 0.03 0.00 0.00 46.19 42.78 1uep s LEU 37 CO -0.06 0.03 2.12 -0.38 0.23 0.00 0.00 176.35 178.30 1uep n ILE 38 N 2.74 0.31 0.00 -0.59 2.08 0.68 -0.67 119.36 123.90 1uep n ILE 38 Ca -0.03 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.00 1uep n ILE 38 Cb 0.50 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 1uep n ILE 38 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uep n GLY 39 N 5.85 -2.76 3.28 7.39 0.00 0.54 -0.41 105.19 119.08 1uep n GLY 39 Ca 0.34 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 1uep n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uep s ALA 40 N -2.61 -1.25 0.42 4.61 0.00 -1.26 -4.27 121.76 117.40 1uep s ALA 40 Ca 0.00 1.55 -0.22 0.00 0.00 0.00 0.00 51.96 53.29 1uep s ALA 40 Cb 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 23.12 21.62 1uep s ALA 40 CO 0.00 -0.81 0.96 0.14 0.00 0.00 0.00 175.76 176.05 1uep s VAL 41 N 2.64 4.31 -0.37 0.00 -7.23 -1.26 -2.75 120.40 115.74 1uep s VAL 41 Ca -0.01 1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 61.52 1uep s VAL 41 Cb -0.12 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1uep s VAL 41 CO -0.14 -0.24 0.37 -0.63 -0.31 0.00 0.00 175.10 174.16 1uep s ILE 42 N -2.07 5.16 0.61 -0.62 -1.09 -0.09 -4.95 121.20 118.16 1uep s ILE 42 Ca 0.60 -0.16 0.33 0.00 -2.23 0.00 0.00 60.65 59.20 1uep s ILE 42 Cb -0.11 -3.89 0.37 0.00 -1.58 0.00 0.00 42.46 37.25 1uep s ILE 42 CO 0.15 -0.21 2.19 0.00 -1.23 0.00 0.00 174.94 175.85 1uep h ALA 43 N 8.56 1.50 -0.01 9.38 0.00 -1.95 -1.13 119.26 135.61 1uep h ALA 43 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uep h ALA 43 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1uep h ALA 43 CO 0.72 -0.15 -0.00 -1.33 0.00 0.00 0.00 179.25 178.50 1uep n MET 44 N -3.57 0.52 -3.31 0.00 2.81 -1.26 -4.73 117.12 107.58 1uep n MET 44 Ca -0.01 -1.14 -0.21 0.00 -1.81 0.00 0.00 57.70 54.53 1uep n MET 44 Cb 0.20 -1.21 0.01 0.00 -0.71 0.00 0.00 33.22 31.51 1uep n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uep n GLY 45 N 0.61 2.66 0.00 3.03 0.00 -0.43 -4.98 105.19 106.09 1uep n GLY 45 Ca 0.06 -2.27 0.04 0.00 0.00 0.00 0.00 46.02 43.86 1uep n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uep n SER 46 N -1.95 0.00 0.08 1.61 7.64 -1.25 -2.61 113.62 117.14 1uep n SER 46 Ca 0.01 0.37 -0.23 0.00 1.01 0.00 0.00 58.87 60.02 1uep n SER 46 Cb 0.52 -0.42 -0.15 0.00 -1.01 0.00 0.00 64.21 63.15 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 2.36 0.08 0.18 -0.43 0.00 -1.78 -3.32 119.26 116.34 1uep h ALA 47 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 54.91 53.83 1uep h ALA 47 Cb 0.13 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1uep h ALA 47 CO 0.00 0.92 -0.08 0.22 0.00 0.00 0.00 179.25 180.31 1uep h ASP 48 N 0.07 -0.20 -0.43 0.00 1.82 -1.59 -3.02 116.42 113.07 1uep h ASP 48 Ca -0.32 -0.30 0.12 0.00 -0.39 0.00 0.00 57.03 56.15 1uep h ASP 48 Cb 2.08 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 42.12 1uep h ASP 48 CO 0.19 0.23 0.33 0.03 -1.61 0.00 0.00 179.24 178.40 1uep h ARG 49 N -0.67 0.00 0.00 0.28 3.08 -1.77 -0.42 114.38 114.88 1uep h ARG 49 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1uep h ARG 49 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1uep h ARG 49 CO 0.04 0.00 -0.07 0.22 -1.07 0.00 0.00 179.97 179.09 1uep h ASP 50 N 0.00 0.00 -5.73 7.04 3.58 -1.63 -3.47 116.42 116.21 1uep h ASP 50 Ca 0.20 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.32 1uep h ASP 50 Cb 0.86 0.00 0.15 0.00 1.72 0.00 0.00 39.33 42.06 1uep h ASP 50 CO -0.00 0.07 -0.81 0.61 -2.88 0.00 0.00 179.24 176.23 1uep n GLY 51 N -0.30 -0.55 0.25 -0.78 0.00 -0.17 -4.92 105.19 98.73 1uep n GLY 51 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.97 0.00 -2.22 1.61 5.12 -1.26 -5.10 116.66 110.84 1uep n ARG 52 Ca -0.24 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.29 1uep n ARG 52 Cb 0.66 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.94 1uep n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1uep s LEU 53 N -2.38 4.32 0.19 0.55 1.43 -1.26 -5.06 118.68 116.47 1uep s LEU 53 Ca 0.00 2.49 0.11 0.00 -1.03 0.00 0.00 54.13 55.70 1uep s LEU 53 Cb 0.00 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1uep s LEU 53 CO 0.00 -0.59 -0.23 -1.00 0.23 0.00 0.00 176.35 174.76 1uep s HIS 54 N -1.27 2.33 0.35 0.29 3.76 -1.26 -4.81 115.29 114.68 1uep s HIS 54 Ca 0.53 -0.35 -0.27 0.00 -0.15 0.00 0.00 55.06 54.82 1uep s HIS 54 Cb -0.35 -1.15 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 1uep s HIS 54 CO 0.45 0.50 1.11 -1.25 -0.85 0.00 0.00 174.74 174.70 1uep s PRO 55 N -2.68 4.32 0.00 8.40 0.04 -1.26 -2.88 135.00 140.94 1uep s PRO 55 Ca 0.21 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1uep s PRO 55 Cb -0.08 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1uep s PRO 55 CO 0.10 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1uep n GLY 56 N 0.77 0.60 3.77 0.56 0.00 0.46 -5.01 105.19 106.33 1uep n GLY 56 Ca 0.02 0.00 -0.40 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 -2.24 6.93 -0.12 1.61 1.01 -1.14 -4.76 116.67 117.95 1uep s ASP 57 Ca 0.00 2.41 -0.20 0.00 0.71 0.00 0.00 52.55 55.47 1uep s ASP 57 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1uep s ASP 57 CO 0.00 -0.40 0.54 -0.70 0.21 0.00 0.00 175.17 174.83 1uep s GLU 58 N -1.78 4.33 0.50 8.23 2.12 -1.24 -0.23 118.70 130.63 1uep s GLU 58 Ca 0.49 0.55 -0.17 0.00 0.36 0.00 0.00 54.97 56.20 1uep s GLU 58 Cb -0.34 -3.46 -0.08 0.00 0.26 0.00 0.00 34.13 30.50 1uep s GLU 58 CO 0.44 0.07 0.98 -0.51 -0.54 0.00 0.00 175.26 175.70 1uep s LEU 59 N 0.88 3.69 0.00 2.70 1.43 0.10 -0.27 118.68 127.22 1uep s LEU 59 Ca 0.28 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1uep s LEU 59 Cb -0.16 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1uep s LEU 59 CO 0.12 -0.56 0.00 0.52 0.23 0.00 0.00 176.35 176.66 1uep n VAL 60 N -1.39 0.00 -4.06 -1.59 0.31 0.58 -4.43 118.33 107.75 1uep n VAL 60 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 1uep n VAL 60 Cb 0.54 -0.20 -0.11 0.00 -0.91 0.00 0.00 33.84 33.16 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 -1.30 0.59 -0.11 3.52 1.51 -1.03 -0.87 117.35 119.67 1uep s TYR 61 Ca 0.00 -0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 55.39 1uep s TYR 61 Cb 0.00 -0.37 0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1uep s TYR 61 CO 0.00 -0.14 0.27 0.08 -1.11 0.00 0.00 175.55 174.65 1uep s VAL 62 N -1.85 -0.02 -1.48 0.71 1.01 0.06 -1.21 120.40 117.62 1uep s VAL 62 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1uep s VAL 62 Cb -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1uep s VAL 62 CO -0.01 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.45 1uep n ASP 63 N 3.65 -5.34 0.00 3.32 2.03 0.24 -0.78 116.55 119.68 1uep n ASP 63 Ca -0.20 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1uep n ASP 63 Cb 0.55 -4.24 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 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 0.02 0.94 3.80 0.27 0.00 -1.24 -4.87 105.19 104.11 1uep n GLY 64 Ca -0.14 0.00 -0.37 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 -3.76 5.19 0.40 -0.61 -1.09 0.04 -5.02 121.20 116.35 1uep s ILE 65 Ca 0.00 0.69 -0.24 0.00 -2.23 0.00 0.00 60.65 58.87 1uep s ILE 65 Cb 0.00 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.13 1uep s ILE 65 CO 0.00 0.50 1.08 -2.16 -1.23 0.00 0.00 174.94 173.13 1uep s PRO 66 N -0.43 4.13 0.00 2.79 0.04 -1.26 -0.76 135.00 139.50 1uep s PRO 66 Ca 0.21 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.88 1uep s PRO 66 Cb -0.15 -2.57 0.06 0.00 0.04 0.00 0.00 34.50 31.88 1uep s PRO 66 CO 0.09 -0.19 0.76 1.33 0.04 0.00 0.00 177.00 179.03 1uep n VAL 67 N -0.05 0.24 -2.15 -0.36 0.24 -0.05 -4.91 118.33 111.29 1uep n VAL 67 Ca 0.05 -0.62 -0.40 0.00 -2.04 0.00 0.00 64.34 61.33 1uep n VAL 67 Cb 0.49 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.54 2.43 0.00 2.33 0.00 -1.26 -1.47 121.76 123.26 1uep s ALA 68 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1uep s ALA 68 Cb 0.04 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1uep s ALA 68 CO 0.06 -3.51 0.00 0.41 0.00 0.00 0.00 175.76 172.72 1uep n GLY 69 N 5.55 0.42 3.89 0.00 0.00 -1.26 -5.03 105.19 108.75 1uep n GLY 69 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.75 -1.54 -4.03 1.61 4.76 -0.54 -4.25 118.16 112.42 1uep n LYS 70 Ca 0.00 -2.06 -0.26 0.00 -2.87 0.00 0.00 58.31 53.12 1uep n LYS 70 Cb 0.00 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 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 -3.86 1.86 0.09 -0.18 -4.23 -1.26 -4.52 115.64 103.54 1uep s THR 71 Ca 0.76 -1.59 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 1uep s THR 71 Cb -0.03 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1uep s THR 71 CO 0.54 0.00 1.31 -0.74 -0.54 0.00 0.00 174.62 175.19 1uep h HIS 72 N 1.02 -1.08 -0.94 3.99 -0.00 -0.88 -2.24 115.15 115.03 1uep h HIS 72 Ca -0.40 0.07 0.11 0.00 -0.00 0.00 0.00 60.37 60.15 1uep h HIS 72 Cb 1.29 0.54 -0.07 0.00 -0.00 0.00 0.00 27.41 29.17 1uep h HIS 72 CO 0.92 -0.22 0.60 0.00 -0.00 0.00 0.00 177.93 179.22 1uep h ARG 73 N -0.03 0.90 -0.40 5.26 2.47 -1.95 0.10 114.38 120.73 1uep h ARG 73 Ca 0.09 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 1uep h ARG 73 Cb 0.25 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.31 1uep h ARG 73 CO -0.51 0.59 0.08 -0.92 0.56 0.00 0.00 179.97 179.76 1uep h TYR 74 N 0.93 0.12 -0.29 3.04 5.03 -1.81 -1.62 116.97 122.37 1uep h TYR 74 Ca 0.45 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.70 1uep h TYR 74 Cb 0.45 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1uep h TYR 74 CO -0.00 0.01 -0.12 0.28 -1.32 0.00 0.00 178.16 177.00 1uep h VAL 75 N 0.20 1.29 -0.83 1.81 2.07 -0.74 -2.26 116.25 117.80 1uep h VAL 75 Ca 0.19 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1uep h VAL 75 Cb 0.23 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1uep h VAL 75 CO -0.26 0.38 0.54 0.40 0.02 0.00 0.00 177.57 178.66 1uep h ILE 76 N 0.36 1.03 0.40 4.57 1.08 -0.69 0.36 117.51 124.62 1uep h ILE 76 Ca 0.07 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1uep h ILE 76 Cb 0.63 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1uep h ILE 76 CO 0.04 0.16 -0.23 0.44 -0.69 0.00 0.00 178.15 177.87 1uep h ASP 77 N 0.89 -0.56 -0.39 1.72 3.32 -1.19 -0.13 116.42 120.07 1uep h ASP 77 Ca 0.36 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 1uep h ASP 77 Cb 0.27 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1uep h ASP 77 CO -0.13 -0.37 0.18 -0.07 -1.72 0.00 0.00 179.24 177.12 1uep h LEU 78 N -0.59 0.57 0.01 1.55 3.38 -0.46 0.05 115.31 119.81 1uep h LEU 78 Ca -0.05 -0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 1uep h LEU 78 Cb 0.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1uep h LEU 78 CO 0.06 0.52 -1.42 0.00 0.09 0.00 0.00 178.44 177.69 1uep h MET 79 N 0.63 0.02 -0.06 1.13 -0.00 -0.32 0.30 114.93 116.63 1uep h MET 79 Ca 0.15 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.77 1uep h MET 79 Cb 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.73 1uep h MET 79 CO -0.02 0.74 -0.21 0.45 -0.00 0.00 0.00 176.91 177.88 1uep h HIS 80 N 0.01 0.10 0.07 -0.10 3.86 -0.84 -0.82 115.15 117.43 1uep h HIS 80 Ca -0.17 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1uep h HIS 80 Cb 1.92 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.36 1uep h HIS 80 CO 0.00 0.31 -0.03 1.25 0.86 0.00 0.00 177.93 180.32 1uep h HIS 81 N 0.09 -0.09 -0.67 2.45 6.17 -0.53 -3.19 115.15 119.40 1uep h HIS 81 Ca 0.02 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.13 1uep h HIS 81 Cb 0.43 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.35 1uep h HIS 81 CO 0.00 0.26 0.44 0.00 0.71 0.00 0.00 177.93 179.35 1uep h ALA 82 N 0.45 1.63 -0.19 5.26 0.00 -0.84 0.11 119.26 125.68 1uep h ALA 82 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1uep h ALA 82 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1uep h ALA 82 CO 0.02 0.30 0.32 0.00 0.00 0.00 0.00 179.25 179.89 1uep h ALA 83 N 1.61 1.70 0.00 0.00 0.00 -1.13 0.17 119.26 121.61 1uep h ALA 83 Ca 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1uep h ALA 83 Cb 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uep h ALA 83 CO -0.07 -0.42 -1.51 0.54 0.00 0.00 0.00 179.25 177.78 1uep n ARG 84 N -3.40 0.63 -0.09 0.00 1.74 0.35 -4.10 116.66 111.78 1uep n ARG 84 Ca 0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1uep n ARG 84 Cb 0.43 -1.70 0.28 0.00 -1.02 0.00 0.00 32.46 30.46 1uep n ARG 84 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1uep h ASN 85 N 0.00 0.66 0.00 0.55 2.35 -0.63 -3.47 115.58 115.05 1uep h ASN 85 Ca -0.07 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1uep h ASN 85 Cb 1.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1uep h ASN 85 CO 0.01 0.58 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 1uep n GLY 86 N -1.16 0.53 3.52 2.83 0.00 -1.11 -5.06 105.19 104.76 1uep n GLY 86 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.88 1.43 -0.09 1.61 0.00 -1.25 -0.53 119.66 119.95 1uep s GLN 87 Ca 0.00 -1.15 -0.00 0.00 -0.00 0.00 0.00 55.36 54.21 1uep s GLN 87 Cb 0.00 0.46 0.02 0.00 0.00 0.00 0.00 33.01 33.50 1uep s GLN 87 CO 0.00 -0.59 -0.05 0.54 0.00 0.00 0.00 175.29 175.19 1uep s VAL 88 N -3.98 0.76 -0.05 3.63 0.11 0.30 -4.46 120.40 116.72 1uep s VAL 88 Ca 0.18 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 1uep s VAL 88 Cb 0.00 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1uep s VAL 88 CO 0.05 0.31 0.97 0.21 -3.33 0.00 0.00 175.10 173.31 1uep s ASN 89 N 1.60 7.29 -0.06 3.54 3.84 -1.26 -0.93 114.94 128.95 1uep s ASN 89 Ca 0.01 1.57 0.01 0.00 0.21 0.00 0.00 52.86 54.67 1uep s ASN 89 Cb -0.13 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.04 1uep s ASN 89 CO -0.05 -0.32 -0.09 -0.76 -2.79 0.00 0.00 177.10 173.09 1uep s LEU 90 N 1.39 1.46 -0.20 3.21 1.43 0.06 -0.59 118.68 125.44 1uep s LEU 90 Ca 0.49 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1uep s LEU 90 Cb -0.20 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 1uep s LEU 90 CO 0.23 -0.02 -0.06 -0.89 0.23 0.00 0.00 176.35 175.85 1uep s THR 91 N 0.90 3.36 0.34 5.49 2.01 -0.35 -1.03 115.64 126.36 1uep s THR 91 Ca -0.11 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.47 1uep s THR 91 Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1uep s THR 91 CO 0.01 0.45 0.15 0.68 -0.69 0.00 0.00 174.62 175.22 1uep s VAL 92 N 1.19 3.11 -0.07 3.82 -7.23 -1.06 -0.30 120.40 119.85 1uep s VAL 92 Ca 0.02 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 1uep s VAL 92 Cb -0.14 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.84 1uep s VAL 92 CO -0.01 -0.19 0.41 0.00 -0.31 0.00 0.00 175.10 175.00 1uep s ARG 93 N -3.85 0.69 -0.14 4.82 1.70 0.63 -0.21 118.95 122.59 1uep s ARG 93 Ca 0.38 0.14 -0.07 0.00 -0.47 0.00 0.00 55.73 55.71 1uep s ARG 93 Cb -0.03 0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.73 1uep s ARG 93 CO 0.23 -0.17 0.32 1.03 -1.08 0.00 0.00 175.30 175.63 1uep s ARG 94 N -0.80 0.27 0.07 3.89 0.52 -0.72 -3.68 118.95 118.48 1uep s ARG 94 Ca -0.09 0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 55.53 1uep s ARG 94 Cb -0.04 -0.02 -0.09 0.00 0.52 0.00 0.00 34.95 35.32 1uep s ARG 94 CO 0.04 -0.20 1.82 0.21 0.02 0.00 0.00 175.30 177.19 1uep s LYS 95 N 1.69 4.15 0.47 3.54 2.36 -1.26 -2.62 119.74 128.07 1uep s LYS 95 Ca -0.06 2.51 0.00 0.00 -2.55 0.00 0.00 55.97 55.87 1uep s LYS 95 Cb -0.10 -3.80 0.00 0.00 -1.05 0.00 0.00 37.83 32.88 1uep s LYS 95 CO -0.10 -0.85 0.69 0.54 1.55 0.00 0.00 175.35 177.17 1uep s VAL 96 N 3.35 3.80 0.36 4.02 0.11 -1.26 -4.90 120.40 125.87 1uep s VAL 96 Ca 0.81 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1uep s VAL 96 Cb -0.43 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1uep s VAL 96 CO 0.36 -0.29 0.00 -0.11 -3.33 0.00 0.00 175.10 171.73 1uep n LEU 97 N -2.13 -2.95 -3.47 2.54 7.94 -1.26 -4.76 117.00 112.90 1uep n LEU 97 Ca 0.02 0.68 -0.29 0.00 -1.11 0.00 0.00 56.01 55.31 1uep n LEU 97 Cb 0.58 2.86 0.02 0.00 0.53 0.00 0.00 43.42 47.40 1uep n LEU 97 CO 0.47 0.03 -0.24 -0.24 -1.11 0.00 0.00 177.39 176.30 1uep n SER 98 N -3.25 -4.56 -3.65 1.96 2.88 -1.26 -5.01 113.62 100.72 1uep n SER 98 Ca 0.00 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1uep n SER 98 Cb 0.00 -1.42 -0.00 0.00 -0.75 0.00 0.00 64.21 62.03 1uep n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uep s GLY 99 N -2.13 -0.33 0.84 0.46 0.00 -1.26 -5.18 107.32 99.71 1uep s GLY 99 Ca 0.16 0.48 -0.11 0.00 0.00 0.00 0.00 44.72 45.25 1uep s GLY 99 CO 0.80 0.53 1.09 2.56 0.00 0.00 0.00 173.10 178.08 1uep s PRO 100 N -2.59 1.71 0.00 2.90 0.04 -1.26 -5.01 135.00 130.79 1uep s PRO 100 Ca 0.15 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1uep s PRO 100 Cb 0.03 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1uep s PRO 100 CO -0.02 -1.98 0.00 0.45 0.04 0.00 0.00 177.00 175.49 1uep n SER 101 N -3.73 0.00 -3.48 6.66 2.88 -1.26 -5.14 113.62 109.55 1uep n SER 101 Ca 0.08 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 1uep n SER 101 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 1uep n SER 101 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uep s SER 102 N -2.04 -0.45 0.00 -3.46 0.01 -1.26 -5.34 113.70 101.17 1uep s SER 102 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1uep s SER 102 Cb 0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1uep s SER 102 CO 0.00 -0.81 0.35 0.61 0.41 0.00 0.00 173.24 173.80