#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 4.72 0.15 1.61 0.01 -1.26 -5.06 113.70 113.87 1uep s SER 2 Ca 0.00 -2.11 -0.03 0.00 1.31 0.00 0.00 55.95 55.12 1uep s SER 2 Cb 0.00 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 1uep s SER 2 CO 0.00 -0.38 0.12 -0.94 0.41 0.00 0.00 173.24 172.45 1uep s SER 3 N 0.95 0.22 0.00 2.44 1.04 -1.26 -5.17 113.70 111.92 1uep s SER 3 Ca 0.10 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1uep s SER 3 Cb -0.19 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1uep s SER 3 CO -0.09 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1uep n GLY 4 N -0.16 1.37 3.81 7.32 0.00 -1.26 -4.98 105.19 111.29 1uep n GLY 4 Ca -0.04 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1uep n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uep s SER 5 N -0.31 6.64 -0.13 1.61 0.01 -1.26 -5.07 113.70 115.19 1uep s SER 5 Ca 0.00 1.83 -0.01 0.00 1.31 0.00 0.00 55.95 59.08 1uep s SER 5 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.71 1uep s SER 5 CO 0.00 -0.57 -0.02 -0.44 0.41 0.00 0.00 173.24 172.61 1uep s SER 6 N -2.04 2.34 0.00 2.44 0.01 -1.26 -5.09 113.70 110.11 1uep s SER 6 Ca 0.64 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 57.36 1uep s SER 6 Cb -0.13 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 1uep s SER 6 CO 0.17 -0.20 0.85 1.23 0.41 0.00 0.00 173.24 175.71 1uep h GLY 7 N 8.22 -0.34 -1.82 3.44 0.00 -1.97 -3.43 103.07 107.16 1uep h GLY 7 Ca -0.22 0.13 -0.52 0.00 0.00 0.00 0.00 47.33 46.71 1uep h GLY 7 CO 0.35 -0.12 0.40 -2.52 0.00 0.00 0.00 176.54 174.65 1uep s TYR 8 N -3.20 2.31 0.03 5.60 -0.85 -1.26 -3.42 117.35 116.55 1uep s TYR 8 Ca -0.05 1.57 0.05 0.00 -0.52 0.00 0.00 57.07 58.12 1uep s TYR 8 Cb 0.00 -3.38 -0.03 0.00 0.38 0.00 0.00 41.96 38.93 1uep s TYR 8 CO 0.14 -2.22 -0.10 -1.59 -1.52 0.00 0.00 175.55 170.26 1uep s LYS 9 N -3.83 2.37 0.51 -3.49 -2.85 -0.85 -4.85 119.74 106.75 1uep s LYS 9 Ca 0.73 -0.83 -0.09 0.00 -1.00 0.00 0.00 55.97 54.78 1uep s LYS 9 Cb -0.27 -2.39 -0.05 0.00 -2.06 0.00 0.00 37.83 33.07 1uep s LYS 9 CO 0.41 0.57 0.88 -1.21 0.10 0.00 0.00 175.35 176.10 1uep s GLU 10 N -1.53 3.64 -0.02 1.78 2.02 -1.26 -1.62 118.70 121.71 1uep s GLU 10 Ca 0.17 0.49 0.04 0.00 0.02 0.00 0.00 54.97 55.69 1uep s GLU 10 Cb -0.11 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1uep s GLU 10 CO 0.08 -0.30 -0.14 -0.51 0.02 0.00 0.00 175.26 174.41 1uep s LEU 11 N -4.66 1.99 -0.23 1.80 2.01 0.46 -4.94 118.68 115.10 1uep s LEU 11 Ca 0.51 -0.26 -0.10 0.00 0.01 0.00 0.00 54.13 54.29 1uep s LEU 11 Cb -0.10 -0.74 -0.05 0.00 0.01 0.00 0.00 46.19 45.31 1uep s LEU 11 CO 0.44 0.16 0.15 1.51 1.01 0.00 0.00 176.35 179.62 1uep s ASP 12 N -0.23 6.11 0.02 2.29 1.47 -1.26 -2.49 116.67 122.58 1uep s ASP 12 Ca 0.03 0.13 0.06 0.00 1.18 0.00 0.00 52.55 53.95 1uep s ASP 12 Cb -0.07 -2.10 -0.02 0.00 -0.34 0.00 0.00 42.92 40.40 1uep s ASP 12 CO -0.00 0.09 -0.17 -0.69 0.68 0.00 0.00 175.17 175.07 1uep s VAL 13 N 0.93 1.36 -0.08 2.11 1.01 0.30 -5.03 120.40 121.01 1uep s VAL 13 Ca 0.07 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1uep s VAL 13 Cb -0.13 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1uep s VAL 13 CO 0.03 0.23 -0.09 -2.28 0.00 0.00 0.00 175.10 173.00 1uep s HIS 14 N -0.62 1.33 0.30 5.22 5.04 -1.26 -0.53 115.29 124.77 1uep s HIS 14 Ca 0.06 -0.55 0.07 0.00 -1.54 0.00 0.00 55.06 53.09 1uep s HIS 14 Cb -0.07 -1.06 -0.06 0.00 0.04 0.00 0.00 32.58 31.42 1uep s HIS 14 CO 0.01 -0.36 -0.06 -0.51 -2.34 0.00 0.00 174.74 171.47 1uep s LEU 15 N 1.17 2.53 0.13 8.88 1.02 -0.00 -5.00 118.68 127.41 1uep s LEU 15 Ca -0.05 -1.20 0.04 0.00 0.02 0.00 0.00 54.13 52.93 1uep s LEU 15 Cb -0.14 -0.70 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 1uep s LEU 15 CO -0.02 -0.33 -0.09 0.00 0.02 0.00 0.00 176.35 175.94 1uep s ARG 16 N -3.71 0.98 -0.54 1.70 3.03 -1.26 -1.23 118.95 117.92 1uep s ARG 16 Ca 0.30 -1.41 0.04 0.00 2.03 0.00 0.00 55.73 56.69 1uep s ARG 16 Cb 0.04 -0.48 0.15 0.00 -1.03 0.00 0.00 34.95 33.62 1uep s ARG 16 CO 0.13 0.04 0.35 0.50 -1.13 0.00 0.00 175.30 175.19 1uep s ARG 17 N -3.77 1.77 0.00 3.89 3.52 -0.11 -3.94 118.95 120.32 1uep s ARG 17 Ca 0.15 -2.61 0.00 0.00 -0.13 0.00 0.00 55.73 53.14 1uep s ARG 17 Cb 0.03 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 1uep s ARG 17 CO -0.01 -1.23 0.00 -0.12 -0.81 0.00 0.00 175.30 173.13 1uep n MET 18 N 2.81 4.24 0.00 5.12 1.56 -1.26 -4.84 117.12 124.74 1uep n MET 18 Ca 0.15 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.58 1uep n MET 18 Cb 0.36 -0.35 0.00 0.00 2.15 0.00 0.00 33.22 35.38 1uep n MET 18 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1uep n GLU 19 N 0.00 0.00 0.00 2.12 -0.58 -1.26 -4.85 120.64 116.07 1uep n GLU 19 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1uep n GLU 19 Cb 0.00 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.13 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1uep n SER 20 N 0.00 0.00 -2.37 1.62 7.64 -1.26 -4.87 113.62 114.38 1uep n SER 20 Ca 0.00 0.24 -0.02 0.00 1.01 0.00 0.00 58.87 60.11 1uep n SER 20 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.37 -0.93 0.39 0.23 0.00 -1.26 -4.97 105.19 98.28 1uep n GLY 21 Ca 0.04 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.08 -1.07 -2.10 1.61 3.72 -1.25 -4.92 117.46 112.37 1uep n PHE 22 Ca 0.02 0.59 -0.10 0.00 -0.05 0.00 0.00 57.45 57.91 1uep n PHE 22 Cb 0.42 -1.08 0.07 0.00 -0.94 0.00 0.00 39.48 37.95 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 -2.30 4.81 3.35 1.37 0.00 -1.26 -4.70 105.19 106.45 1uep n GLY 23 Ca -0.02 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.23 1.63 0.31 1.61 -0.12 -1.26 -0.92 117.98 116.00 1uep s PHE 24 Ca 0.42 -0.93 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 1uep s PHE 24 Cb 0.38 -0.96 -0.06 0.00 -0.63 0.00 0.00 43.02 41.75 1uep s PHE 24 CO -0.02 -0.03 -0.07 0.50 -0.05 0.00 0.00 175.22 175.54 1uep s ARG 25 N -3.87 1.68 -0.06 1.99 3.52 -1.23 -4.94 118.95 116.05 1uep s ARG 25 Ca 0.30 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.04 1uep s ARG 25 Cb 0.06 -1.41 0.02 0.00 -1.56 0.00 0.00 34.95 32.06 1uep s ARG 25 CO 0.10 0.08 -0.03 0.96 -0.81 0.00 0.00 175.30 175.60 1uep s ILE 26 N -2.83 0.50 0.34 4.11 -4.36 -1.26 -0.32 121.20 117.38 1uep s ILE 26 Ca 0.31 -0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.70 1uep s ILE 26 Cb 0.03 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 43.16 1uep s ILE 26 CO 0.14 0.24 0.15 0.18 0.24 0.00 0.00 174.94 175.89 1uep n LEU 27 N 4.49 0.00 0.00 0.37 4.77 -0.73 -4.81 117.00 121.09 1uep n LEU 27 Ca -0.18 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 1uep n LEU 27 Cb 0.50 0.99 0.00 0.00 -2.33 0.00 0.00 43.42 42.58 1uep n LEU 27 CO 0.18 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1uep n GLY 28 N -0.41 -0.81 2.48 -0.72 0.00 -1.26 -2.73 105.19 101.74 1uep n GLY 28 Ca -0.03 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 1.34 0.48 -0.02 0.00 -0.99 -4.45 105.19 101.55 1uep n GLY 29 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.39 -3.60 1.61 3.58 -1.92 0.19 116.42 114.88 1uep h ASP 30 Ca -0.26 0.12 -0.49 0.00 0.42 0.00 0.00 57.03 56.82 1uep h ASP 30 Cb 0.95 0.47 0.04 0.00 1.72 0.00 0.00 39.33 42.51 1uep h ASP 30 CO 0.39 -0.63 0.13 -1.61 -2.88 0.00 0.00 179.24 174.64 1uep s GLU 31 N -5.72 3.39 -0.53 0.28 0.41 -1.26 -4.70 118.70 110.57 1uep s GLU 31 Ca -0.17 0.16 -0.28 0.00 -0.41 0.00 0.00 54.97 54.27 1uep s GLU 31 Cb 0.04 -2.34 0.03 0.00 -1.78 0.00 0.00 34.13 30.08 1uep s GLU 31 CO 0.58 -0.33 1.13 -1.25 -0.49 0.00 0.00 175.26 174.89 1uep s PRO 32 N -4.81 3.58 0.00 0.39 0.04 -1.26 -3.33 135.00 129.61 1uep s PRO 32 Ca 0.49 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1uep s PRO 32 Cb -0.10 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1uep s PRO 32 CO 0.45 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1uep n GLY 33 N 4.98 1.26 3.64 0.56 0.00 -1.12 -4.94 105.19 109.56 1uep n GLY 33 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 0.60 0.30 1.61 -1.52 -1.21 -4.79 119.66 114.64 1uep s GLN 34 Ca 0.00 1.15 -0.29 0.00 -1.95 0.00 0.00 55.36 54.28 1uep s GLN 34 Cb 0.00 -1.71 -0.10 0.00 -0.22 0.00 0.00 33.01 30.99 1uep s GLN 34 CO 0.00 -2.79 1.15 -1.25 -0.25 0.00 0.00 175.29 172.15 1uep s PRO 35 N -4.68 4.51 -0.37 2.91 0.04 -1.26 -4.59 135.00 131.57 1uep s PRO 35 Ca 0.66 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.54 1uep s PRO 35 Cb -0.22 -3.10 0.07 0.00 0.04 0.00 0.00 34.50 31.28 1uep s PRO 35 CO 0.60 0.07 0.16 0.42 0.04 0.00 0.00 177.00 178.28 1uep s ILE 36 N -1.19 3.76 0.13 0.56 1.01 -1.26 -2.36 121.20 121.85 1uep s ILE 36 Ca 0.47 -1.40 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1uep s ILE 36 Cb -0.33 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1uep s ILE 36 CO 0.43 -0.37 0.27 -0.76 0.00 0.00 0.00 174.94 174.52 1uep s LEU 37 N 1.35 4.34 0.33 2.97 1.43 -1.11 -0.53 118.68 127.46 1uep s LEU 37 Ca 0.01 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 1uep s LEU 37 Cb -0.21 -2.93 -0.13 0.00 0.03 0.00 0.00 46.19 42.95 1uep s LEU 37 CO 0.01 0.08 1.11 -0.38 0.23 0.00 0.00 176.35 177.40 1uep n ILE 38 N -0.35 2.06 0.00 -0.59 2.08 0.63 -1.77 119.36 121.42 1uep n ILE 38 Ca -0.06 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.75 1uep n ILE 38 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.20 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 1.05 0.82 3.57 7.39 0.00 0.56 -1.31 105.19 117.28 1uep n GLY 39 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.87 3.51 -0.08 4.61 0.00 -1.26 -2.95 121.76 121.72 1uep s ALA 40 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1uep s ALA 40 Cb 0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1uep s ALA 40 CO 0.00 -1.00 1.19 0.08 0.00 0.00 0.00 175.76 176.04 1uep s VAL 41 N 2.19 4.30 -0.46 0.00 1.01 -1.26 -3.49 120.40 122.68 1uep s VAL 41 Ca 0.16 1.61 -0.27 0.00 0.00 0.00 0.00 61.98 63.48 1uep s VAL 41 Cb -0.16 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1uep s VAL 41 CO 0.12 -0.02 2.02 -0.63 0.00 0.00 0.00 175.10 176.59 1uep s ILE 42 N 2.40 3.26 0.68 2.22 -1.09 -0.10 -4.95 121.20 123.62 1uep s ILE 42 Ca 0.55 0.21 -0.16 0.00 -2.23 0.00 0.00 60.65 59.01 1uep s ILE 42 Cb -0.24 -3.52 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1uep s ILE 42 CO 0.20 -0.44 1.22 0.00 -1.23 0.00 0.00 174.94 174.69 1uep s ALA 43 N 9.20 2.28 -1.58 9.38 0.00 -1.26 -3.07 121.76 136.70 1uep s ALA 43 Ca 0.82 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 1uep s ALA 43 Cb -0.19 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.55 1uep s ALA 43 CO 0.27 -1.64 0.65 -1.33 0.00 0.00 0.00 175.76 173.71 1uep n MET 44 N -2.31 -3.34 -4.19 0.00 2.81 -1.26 -4.94 117.12 103.90 1uep n MET 44 Ca 0.14 0.39 -0.17 0.00 -1.81 0.00 0.00 57.70 56.25 1uep n MET 44 Cb 0.50 -4.88 -0.06 0.00 -0.71 0.00 0.00 33.22 28.06 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 -3.71 1.91 0.00 3.03 0.00 -1.18 -4.97 107.32 102.41 1uep s GLY 45 Ca 0.45 -1.80 0.15 0.00 0.00 0.00 0.00 44.72 43.52 1uep s GLY 45 CO 0.91 -1.24 1.45 1.44 0.00 0.00 0.00 173.10 175.66 1uep n SER 46 N -1.46 0.00 -0.11 1.64 7.64 -1.26 -0.70 113.62 119.37 1uep n SER 46 Ca 0.04 0.29 -0.19 0.00 1.01 0.00 0.00 58.87 60.01 1uep n SER 46 Cb 0.62 -0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1uep n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uep n ALA 47 N -1.39 0.89 -0.30 -0.43 0.00 -1.26 -4.32 120.51 113.70 1uep n ALA 47 Ca 0.05 -0.75 0.09 0.00 0.00 0.00 0.00 53.44 52.83 1uep n ALA 47 Cb 0.15 -0.12 0.21 0.00 0.00 0.00 0.00 19.45 19.68 1uep n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1uep h ASP 48 N -1.00 -0.43 -0.81 0.00 1.82 -1.51 0.75 116.42 115.25 1uep h ASP 48 Ca -0.35 0.23 0.01 0.00 -0.39 0.00 0.00 57.03 56.52 1uep h ASP 48 Cb 1.23 0.41 -0.04 0.00 0.68 0.00 0.00 39.33 41.61 1uep h ASP 48 CO -0.21 -0.25 0.53 -0.09 -1.61 0.00 0.00 179.24 177.61 1uep h ARG 49 N 0.07 1.08 -0.27 0.28 2.43 -1.17 -1.45 114.38 115.35 1uep h ARG 49 Ca 0.49 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.57 1uep h ARG 49 Cb 0.91 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1uep h ARG 49 CO -0.78 0.72 0.10 0.22 -1.51 0.00 0.00 179.97 178.71 1uep h ASP 50 N 1.11 0.34 -0.13 -3.80 3.58 -1.06 -3.47 116.42 112.98 1uep h ASP 50 Ca 0.30 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1uep h ASP 50 Cb -0.11 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1uep h ASP 50 CO -0.06 0.32 0.00 0.61 -2.88 0.00 0.00 179.24 177.23 1uep n GLY 51 N -1.26 0.52 0.90 -0.78 0.00 -0.55 -4.92 105.19 99.09 1uep n GLY 51 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.93 0.00 -1.80 1.61 1.74 -1.26 -5.08 116.66 110.93 1uep n ARG 52 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1uep n ARG 52 Cb 0.48 -0.42 0.03 0.00 -1.02 0.00 0.00 32.46 31.52 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 -4.71 3.96 0.13 0.55 1.43 -1.26 -5.06 118.68 113.72 1uep s LEU 53 Ca 0.00 2.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.95 1uep s LEU 53 Cb 0.00 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 1uep s LEU 53 CO 0.00 -1.40 -0.10 -1.00 0.23 0.00 0.00 176.35 174.08 1uep s HIS 54 N -1.27 1.19 0.49 0.29 3.76 -1.26 -4.86 115.29 113.62 1uep s HIS 54 Ca 0.67 -0.75 -0.23 0.00 -0.15 0.00 0.00 55.06 54.60 1uep s HIS 54 Cb -0.41 -0.62 -0.06 0.00 1.11 0.00 0.00 32.58 32.59 1uep s HIS 54 CO 0.51 0.04 1.27 -1.25 -0.85 0.00 0.00 174.74 174.46 1uep s PRO 55 N -3.55 3.52 0.00 8.40 0.04 -1.26 -2.81 135.00 139.34 1uep s PRO 55 Ca 0.14 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1uep s PRO 55 Cb 0.02 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1uep s PRO 55 CO -0.00 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1uep n GLY 56 N 0.59 0.51 3.70 0.56 0.00 -0.43 -5.00 105.19 105.13 1uep n GLY 56 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.27 6.82 -0.05 1.61 1.11 -1.12 -4.68 116.67 118.10 1uep s ASP 57 Ca 0.00 2.20 -0.30 0.00 0.18 0.00 0.00 52.55 54.63 1uep s ASP 57 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1uep s ASP 57 CO 0.00 -0.72 1.27 -0.70 1.18 0.00 0.00 175.17 176.21 1uep s GLU 58 N 2.11 4.32 0.45 8.23 2.12 -1.21 -0.27 118.70 134.44 1uep s GLU 58 Ca 0.65 1.77 -0.20 0.00 0.36 0.00 0.00 54.97 57.55 1uep s GLU 58 Cb -0.34 -3.58 -0.10 0.00 0.26 0.00 0.00 34.13 30.37 1uep s GLU 58 CO 0.28 -0.51 0.96 -0.51 -0.54 0.00 0.00 175.26 174.94 1uep s LEU 59 N 2.39 3.88 0.00 2.70 1.43 0.30 -0.30 118.68 129.08 1uep s LEU 59 Ca 0.59 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1uep s LEU 59 Cb -0.27 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.42 1uep s LEU 59 CO 0.23 -0.44 0.00 0.52 0.23 0.00 0.00 176.35 176.89 1uep n VAL 60 N -0.83 0.00 -4.35 -1.59 0.31 0.17 -4.63 118.33 107.42 1uep n VAL 60 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1uep n VAL 60 Cb 0.54 -0.69 -0.13 0.00 -0.91 0.00 0.00 33.84 32.65 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 -1.80 1.22 -0.02 3.52 1.51 -0.83 -1.35 117.35 119.59 1uep s TYR 61 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1uep s TYR 61 Cb 0.00 -0.72 0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1uep s TYR 61 CO 0.00 0.03 0.02 0.08 -1.11 0.00 0.00 175.55 174.57 1uep s VAL 62 N -0.86 0.02 -1.18 0.71 1.01 0.16 -1.38 120.40 118.89 1uep s VAL 62 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1uep s VAL 62 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1uep s VAL 62 CO 0.01 0.11 0.00 -0.67 0.00 0.00 0.00 175.10 174.56 1uep n ASP 63 N 4.23 -3.68 0.00 3.32 2.03 0.93 -0.89 116.55 122.48 1uep n ASP 63 Ca -0.26 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1uep n ASP 63 Cb 0.50 -3.19 0.00 0.00 -0.72 0.00 0.00 41.12 37.71 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 -0.08 0.65 3.75 0.27 0.00 -1.26 -4.75 105.19 103.76 1uep n GLY 64 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.18 5.05 -0.19 -0.61 1.09 -0.07 -5.00 121.20 119.30 1uep s ILE 65 Ca 0.00 1.10 -0.29 0.00 -1.10 0.00 0.00 60.65 60.36 1uep s ILE 65 Cb 0.00 -3.87 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1uep s ILE 65 CO 0.00 0.38 1.52 -2.16 -0.10 0.00 0.00 174.94 174.57 1uep s PRO 66 N 0.16 3.97 0.00 2.79 0.04 -1.26 -0.66 135.00 140.03 1uep s PRO 66 Ca 0.29 1.71 0.21 0.00 0.04 0.00 0.00 61.00 63.24 1uep s PRO 66 Cb -0.17 -3.96 0.99 0.00 0.04 0.00 0.00 34.50 31.40 1uep s PRO 66 CO 0.14 -1.08 1.66 1.33 0.04 0.00 0.00 177.00 179.09 1uep n VAL 67 N 6.01 0.45 -1.64 -0.36 0.24 -0.46 -4.87 118.33 117.71 1uep n VAL 67 Ca 0.17 0.11 -0.43 0.00 -2.04 0.00 0.00 64.34 62.16 1uep n VAL 67 Cb 0.45 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.74 3.10 0.00 2.33 0.00 -1.25 -1.25 121.76 121.96 1uep s ALA 68 Ca 0.16 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1uep s ALA 68 Cb 0.14 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1uep s ALA 68 CO 0.34 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1uep n GLY 69 N 5.22 1.73 3.98 0.00 0.00 -1.26 -5.05 105.19 109.82 1uep n GLY 69 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.86 2.55 0.73 1.61 -0.14 -0.38 -2.79 119.74 120.46 1uep s LYS 70 Ca 0.00 -0.90 -0.07 0.00 -1.36 0.00 0.00 55.97 53.64 1uep s LYS 70 Cb 0.00 -2.54 0.08 0.00 -1.68 0.00 0.00 37.83 33.70 1uep s LYS 70 CO 0.00 -0.66 1.04 0.95 -0.76 0.00 0.00 175.35 175.91 1uep s THR 71 N -2.70 2.24 0.18 2.17 -4.23 -1.26 -4.18 115.64 107.86 1uep s THR 71 Ca 0.57 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.58 1uep s THR 71 Cb -0.10 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.88 1uep s THR 71 CO 0.38 0.00 1.59 -0.74 -0.54 0.00 0.00 174.62 175.31 1uep h HIS 72 N -0.69 -0.92 -0.88 3.99 -0.00 -0.84 -2.33 115.15 113.48 1uep h HIS 72 Ca -0.43 0.07 0.11 0.00 -0.00 0.00 0.00 60.37 60.11 1uep h HIS 72 Cb 1.30 0.48 -0.06 0.00 -0.00 0.00 0.00 27.41 29.13 1uep h HIS 72 CO 0.12 -0.38 0.57 -0.09 -0.00 0.00 0.00 177.93 178.15 1uep h ARG 73 N -0.20 0.81 -0.70 5.26 2.43 -1.94 -0.30 114.38 119.74 1uep h ARG 73 Ca 0.21 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1uep h ARG 73 Cb 0.54 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 1uep h ARG 73 CO -0.62 0.53 0.35 -0.92 -1.51 0.00 0.00 179.97 177.81 1uep h TYR 74 N 0.83 0.64 -0.26 2.20 5.03 -1.79 0.55 116.97 124.17 1uep h TYR 74 Ca 0.42 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.59 1uep h TYR 74 Cb 0.47 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1uep h TYR 74 CO -0.00 0.24 -0.46 0.28 -1.32 0.00 0.00 178.16 176.90 1uep h VAL 75 N 0.61 1.29 -0.68 1.81 2.07 -1.07 -1.91 116.25 118.37 1uep h VAL 75 Ca 0.34 -1.66 0.09 0.00 0.82 0.00 0.00 66.70 66.29 1uep h VAL 75 Cb 0.34 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1uep h VAL 75 CO -0.25 0.53 0.32 0.40 0.02 0.00 0.00 177.57 178.59 1uep h ILE 76 N 0.52 0.83 -0.44 4.57 1.08 -0.50 0.17 117.51 123.75 1uep h ILE 76 Ca 0.02 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1uep h ILE 76 Cb 1.07 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1uep h ILE 76 CO 0.10 0.10 0.26 0.44 -0.69 0.00 0.00 178.15 178.37 1uep h ASP 77 N 0.55 0.53 -0.19 1.72 5.19 -0.85 -2.76 116.42 120.61 1uep h ASP 77 Ca 0.34 -0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.63 1uep h ASP 77 Cb 0.36 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1uep h ASP 77 CO -0.27 0.44 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.11 1uep h LEU 78 N 0.58 0.43 -1.35 1.55 3.38 -0.37 -2.42 115.31 117.11 1uep h LEU 78 Ca 0.16 -0.42 0.18 0.00 0.09 0.00 0.00 57.88 57.88 1uep h LEU 78 Cb 0.01 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1uep h LEU 78 CO -0.03 0.76 0.59 0.24 0.09 0.00 0.00 178.44 180.09 1uep h MET 79 N 0.10 0.55 0.00 1.13 2.86 -0.77 0.97 114.93 119.77 1uep h MET 79 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1uep h MET 79 Cb 0.60 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1uep h MET 79 CO 0.03 0.37 0.00 1.25 1.06 0.00 0.00 176.91 179.62 1uep h HIS 80 N 0.57 0.00 0.02 -0.22 6.17 -1.14 0.13 115.15 120.68 1uep h HIS 80 Ca 0.47 0.00 -0.14 0.00 0.71 0.00 0.00 60.37 61.41 1uep h HIS 80 Cb 0.95 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.86 1uep h HIS 80 CO -0.00 0.00 -0.76 1.25 0.71 0.00 0.00 177.93 179.13 1uep h HIS 81 N 0.00 0.07 -0.85 5.26 6.17 -0.48 -3.34 115.15 121.98 1uep h HIS 81 Ca 0.00 -0.05 0.19 0.00 0.71 0.00 0.00 60.37 61.22 1uep h HIS 81 Cb 0.69 -0.00 -0.12 0.00 2.52 0.00 0.00 27.41 30.50 1uep h HIS 81 CO 0.00 1.30 0.35 0.00 0.71 0.00 0.00 177.93 180.29 1uep h ALA 82 N -0.22 1.29 -1.02 5.26 0.00 -0.91 0.32 119.26 123.99 1uep h ALA 82 Ca -0.20 0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.11 1uep h ALA 82 Cb 1.25 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1uep h ALA 82 CO -0.08 -0.29 0.66 0.00 0.00 0.00 0.00 179.25 179.53 1uep h ALA 83 N 1.66 2.19 -0.46 0.00 0.00 -1.08 0.12 119.26 121.68 1uep h ALA 83 Ca 0.51 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.34 1uep h ALA 83 Cb 0.90 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1uep h ALA 83 CO -0.49 -0.58 -0.24 0.00 0.00 0.00 0.00 179.25 177.94 1uep h ARG 84 N 0.42 0.97 0.00 0.00 -0.00 -1.06 -3.20 114.38 111.51 1uep h ARG 84 Ca 0.58 -0.42 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1uep h ARG 84 Cb 1.42 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.36 1uep h ARG 84 CO -0.29 1.09 0.00 0.09 0.00 0.00 0.00 179.97 180.87 1uep n ASN 85 N -4.10 0.57 0.00 7.04 3.02 0.38 -4.90 115.26 117.27 1uep n ASN 85 Ca -0.00 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 1uep n ASN 85 Cb 0.47 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.20 0.77 3.36 7.41 0.00 -1.07 -5.00 105.19 110.87 1uep n GLY 86 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 1.79 -0.18 1.61 -2.07 -1.25 -0.93 119.66 118.61 1uep s GLN 87 Ca 0.00 -1.91 -0.09 0.00 -1.82 0.00 0.00 55.36 51.54 1uep s GLN 87 Cb 0.00 0.37 0.06 0.00 -1.09 0.00 0.00 33.01 32.35 1uep s GLN 87 CO 0.00 -0.69 0.43 0.54 -1.32 0.00 0.00 175.29 174.25 1uep s VAL 88 N -3.33 -0.11 0.09 3.63 0.11 -0.36 -4.23 120.40 116.20 1uep s VAL 88 Ca 0.37 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.31 1uep s VAL 88 Cb 0.02 -0.64 -0.07 0.00 -1.53 0.00 0.00 36.38 34.16 1uep s VAL 88 CO 0.24 0.04 0.61 0.21 -3.33 0.00 0.00 175.10 172.88 1uep s ASN 89 N 1.59 7.13 -0.03 3.54 3.84 -1.26 -0.82 114.94 128.93 1uep s ASN 89 Ca -0.08 1.34 -0.01 0.00 0.21 0.00 0.00 52.86 54.32 1uep s ASN 89 Cb -0.09 -2.39 0.03 0.00 -0.55 0.00 0.00 41.25 38.25 1uep s ASN 89 CO -0.13 0.26 0.04 -0.76 -2.79 0.00 0.00 177.10 173.72 1uep s LEU 90 N -1.10 0.68 -0.24 3.21 1.43 0.31 -0.05 118.68 122.91 1uep s LEU 90 Ca 0.30 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1uep s LEU 90 Cb -0.20 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 45.93 1uep s LEU 90 CO 0.21 -0.18 -0.08 -0.89 0.23 0.00 0.00 176.35 175.64 1uep s THR 91 N 1.55 2.73 0.39 5.49 2.01 -0.48 -0.54 115.64 126.80 1uep s THR 91 Ca -0.03 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 60.96 1uep s THR 91 Cb -0.13 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1uep s THR 91 CO -0.03 0.21 0.54 0.68 -0.69 0.00 0.00 174.62 175.33 1uep s VAL 92 N 1.30 3.43 0.02 3.82 -7.23 -1.04 -0.66 120.40 120.05 1uep s VAL 92 Ca -0.00 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1uep s VAL 92 Cb -0.17 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 33.60 1uep s VAL 92 CO -0.05 -0.07 0.14 0.00 -0.31 0.00 0.00 175.10 174.80 1uep s ARG 93 N -4.31 0.57 -0.11 4.82 1.70 0.58 -0.40 118.95 121.80 1uep s ARG 93 Ca 0.51 -0.58 -0.16 0.00 -0.47 0.00 0.00 55.73 55.04 1uep s ARG 93 Cb -0.10 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1uep s ARG 93 CO 0.33 -0.15 0.40 1.03 -1.08 0.00 0.00 175.30 175.83 1uep s ARG 94 N -2.09 0.57 0.32 3.89 0.52 -0.64 -3.35 118.95 118.17 1uep s ARG 94 Ca -0.09 0.34 -0.27 0.00 -0.52 0.00 0.00 55.73 55.19 1uep s ARG 94 Cb -0.04 0.27 -0.13 0.00 0.52 0.00 0.00 34.95 35.57 1uep s ARG 94 CO -0.02 -0.11 0.93 1.63 0.02 0.00 0.00 175.30 177.76 1uep n LYS 95 N 2.30 1.20 -3.20 3.54 5.02 -1.26 -2.02 118.16 123.73 1uep n LYS 95 Ca -0.16 0.42 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 1uep n LYS 95 Cb 0.57 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.14 4.97 -0.19 -0.18 1.01 -1.22 -4.82 120.40 118.84 1uep s VAL 96 Ca 0.60 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 1uep s VAL 96 Cb -0.68 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.02 1uep s VAL 96 CO 0.59 -0.40 0.47 -0.22 0.00 0.00 0.00 175.10 175.54 1uep s LEU 97 N -3.70 -0.24 0.01 3.92 1.98 -1.26 -4.80 118.68 114.58 1uep s LEU 97 Ca 0.45 1.01 -0.26 0.00 -2.89 0.00 0.00 54.13 52.45 1uep s LEU 97 Cb -0.11 1.56 -0.14 0.00 0.66 0.00 0.00 46.19 48.16 1uep s LEU 97 CO 0.31 -0.20 1.08 0.28 -1.89 0.00 0.00 176.35 175.93 1uep h SER 98 N 7.02 -0.78 0.00 3.68 0.02 -2.02 -3.50 113.55 117.96 1uep h SER 98 Ca -0.35 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1uep h SER 98 Cb 1.19 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1uep h SER 98 CO 0.27 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.15 1uep n GLY 99 N -0.62 -1.11 3.39 -3.77 0.00 -1.26 -5.15 105.19 96.67 1uep n GLY 99 Ca -0.11 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1uep n GLY 99 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uep n PRO 100 N 0.00 0.31 -3.83 1.61 -0.02 -1.26 -5.04 135.00 126.76 1uep n PRO 100 Ca 0.00 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1uep n PRO 100 Cb 0.00 -1.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1uep n PRO 100 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uep s SER 101 N -1.18 -0.02 0.00 2.55 0.15 -1.26 -5.18 113.70 108.75 1uep s SER 101 Ca 0.64 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1uep s SER 101 Cb -0.43 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1uep s SER 101 CO 0.59 -1.60 0.00 -1.20 1.20 0.00 0.00 173.24 172.24 1uep n SER 102 N -1.19 0.00 0.00 5.45 7.64 -1.26 -5.31 113.62 118.95 1uep n SER 102 Ca -0.07 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1uep n SER 102 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1uep n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64