#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohr s GLN 2 N 0.00 2.80 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.15 1ohr s GLN 2 Ca 0.00 -0.80 -0.07 0.00 0.05 0.00 0.00 55.36 54.55 1ohr s GLN 2 Cb 0.00 -2.48 -0.03 0.00 1.10 0.00 0.00 33.01 31.59 1ohr s GLN 2 CO 0.00 -0.24 0.05 0.42 -0.55 0.00 0.00 175.29 174.98 1ohr s ILE 3 N 1.33 4.38 0.72 -2.34 1.09 -1.26 -5.10 121.20 120.01 1ohr s ILE 3 Ca 0.04 -0.16 -0.08 0.00 -1.10 0.00 0.00 60.65 59.35 1ohr s ILE 3 Cb -0.13 -3.01 0.06 0.00 -1.06 0.00 0.00 42.46 38.32 1ohr s ILE 3 CO -0.12 0.39 1.05 0.42 -0.10 0.00 0.00 174.94 176.58 1ohr s THR 4 N 1.09 2.42 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.37 1ohr s THR 4 Ca 0.04 -0.13 0.16 0.00 -1.18 0.00 0.00 61.69 60.57 1ohr s THR 4 Cb -0.14 -3.08 0.52 0.00 1.34 0.00 0.00 72.50 71.14 1ohr s THR 4 CO 0.03 -0.09 1.42 0.18 -0.54 0.00 0.00 174.62 175.62 1ohr n LEU 5 N -2.99 3.89 -0.12 4.79 4.77 -1.26 -4.47 117.00 121.62 1ohr n LEU 5 Ca 0.08 -3.11 0.03 0.00 -0.03 0.00 0.00 56.01 52.98 1ohr n LEU 5 Cb 0.60 -0.56 0.34 0.00 -2.33 0.00 0.00 43.42 41.48 1ohr n LEU 5 CO 0.54 0.74 1.20 -0.50 -1.33 0.00 0.00 177.39 178.04 1ohr h TRP 6 N 1.64 0.73 -1.87 -1.77 4.06 -2.06 -3.42 115.95 113.25 1ohr h TRP 6 Ca 0.03 0.02 -0.61 0.00 2.06 0.00 0.00 58.89 60.39 1ohr h TRP 6 Cb 1.47 -0.24 -0.12 0.00 -1.00 0.00 0.00 29.16 29.26 1ohr h TRP 6 CO 0.55 0.44 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.58 1ohr s GLN 7 N -5.66 1.95 0.28 0.49 1.11 -1.26 -5.10 119.66 111.47 1ohr s GLN 7 Ca -0.10 -1.89 -0.30 0.00 0.01 0.00 0.00 55.36 53.08 1ohr s GLN 7 Cb 0.18 -1.79 -0.11 0.00 -1.01 0.00 0.00 33.01 30.28 1ohr s GLN 7 CO 0.76 0.10 1.61 1.03 0.01 0.00 0.00 175.29 178.80 1ohr s ARG 8 N -3.68 4.12 -0.90 2.91 0.52 -1.26 -4.83 118.95 115.83 1ohr s ARG 8 Ca 0.34 2.59 -0.21 0.00 -0.52 0.00 0.00 55.73 57.93 1ohr s ARG 8 Cb 0.03 -3.03 -0.12 0.00 0.52 0.00 0.00 34.95 32.35 1ohr s ARG 8 CO 0.18 -0.65 1.97 -0.35 0.02 0.00 0.00 175.30 176.47 1ohr n PRO 9 N 2.37 1.73 -3.04 3.54 -0.04 -1.26 -4.94 135.00 133.35 1ohr n PRO 9 Ca 0.09 -2.01 -0.40 0.00 -0.04 0.00 0.00 63.50 61.14 1ohr n PRO 9 Cb 0.37 -3.03 -0.05 0.00 -0.04 0.00 0.00 33.50 30.76 1ohr n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ohr s LEU 10 N 1.92 4.35 0.31 1.53 1.43 -1.26 -1.47 118.68 125.49 1ohr s LEU 10 Ca 0.56 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 1ohr s LEU 10 Cb 0.13 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 1ohr s LEU 10 CO 0.09 -0.08 0.08 0.68 0.23 0.00 0.00 176.35 177.35 1ohr s VAL 11 N 0.56 0.93 -0.05 -1.59 -7.23 0.12 -4.88 120.40 108.26 1ohr s VAL 11 Ca 0.37 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.32 1ohr s VAL 11 Cb -0.18 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1ohr s VAL 11 CO 0.19 0.00 0.65 -0.89 -0.31 0.00 0.00 175.10 174.74 1ohr s THR 12 N -3.45 5.02 0.36 5.32 2.01 -1.26 -0.69 115.64 122.95 1ohr s THR 12 Ca 0.36 1.34 0.09 0.00 0.31 0.00 0.00 61.69 63.79 1ohr s THR 12 Cb 0.08 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1ohr s THR 12 CO 0.15 0.30 -0.07 0.27 -0.69 0.00 0.00 174.62 174.59 1ohr s ILE 13 N 0.52 2.24 -0.02 1.82 -4.36 0.73 -3.13 121.20 119.00 1ohr s ILE 13 Ca 0.35 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1ohr s ILE 13 Cb -0.18 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 40.82 1ohr s ILE 13 CO 0.17 -0.17 -0.05 -0.54 0.24 0.00 0.00 174.94 174.59 1ohr s LYS 14 N -3.64 0.64 -0.16 0.37 3.01 -0.41 -0.46 119.74 119.09 1ohr s LYS 14 Ca 0.33 -0.16 -0.08 0.00 -1.01 0.00 0.00 55.97 55.05 1ohr s LYS 14 Cb 0.03 -0.64 0.06 0.00 -1.01 0.00 0.00 37.83 36.27 1ohr s LYS 14 CO 0.17 0.03 0.38 -1.50 0.51 0.00 0.00 175.35 174.94 1ohr s ILE 15 N 0.35 -0.19 -1.37 2.17 2.07 -0.26 -1.31 121.20 122.66 1ohr s ILE 15 Ca -0.04 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.27 1ohr s ILE 15 Cb -0.08 -0.58 0.03 0.00 0.13 0.00 0.00 42.46 41.96 1ohr s ILE 15 CO -0.00 0.05 0.90 0.61 -1.91 0.00 0.00 174.94 174.59 1ohr n GLY 16 N 4.58 -0.40 3.95 1.50 0.00 -1.26 -0.36 105.19 113.20 1ohr n GLY 16 Ca -0.19 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ohr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohr n GLY 17 N -1.61 2.05 3.73 -0.02 0.00 -1.26 -4.98 105.19 103.09 1ohr n GLY 17 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1ohr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ohr s GLN 18 N 0.00 4.36 0.29 1.61 -0.21 0.51 -5.07 119.66 121.15 1ohr s GLN 18 Ca 0.00 0.62 -0.26 0.00 0.02 0.00 0.00 55.36 55.74 1ohr s GLN 18 Cb 0.00 -3.43 -0.09 0.00 1.00 0.00 0.00 33.01 30.49 1ohr s GLN 18 CO 0.00 0.16 0.91 -0.51 -2.12 0.00 0.00 175.29 173.73 1ohr s LEU 19 N 0.56 4.39 0.12 2.90 1.02 -1.26 -1.11 118.68 125.30 1ohr s LEU 19 Ca 0.30 1.78 -0.11 0.00 0.02 0.00 0.00 54.13 56.13 1ohr s LEU 19 Cb -0.16 -3.87 0.01 0.00 0.02 0.00 0.00 46.19 42.18 1ohr s LEU 19 CO 0.14 -0.01 0.28 -0.54 0.02 0.00 0.00 176.35 176.23 1ohr s LYS 20 N -1.89 0.98 -0.05 1.70 1.02 0.39 -4.97 119.74 116.93 1ohr s LYS 20 Ca 0.47 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1ohr s LYS 20 Cb -0.19 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1ohr s LYS 20 CO 0.25 -0.35 0.11 -2.00 -0.92 0.00 0.00 175.35 172.43 1ohr s GLU 21 N -3.86 3.24 -0.01 1.68 2.12 -1.26 -0.19 118.70 120.41 1ohr s GLU 21 Ca 0.07 -0.34 -0.18 0.00 0.36 0.00 0.00 54.97 54.88 1ohr s GLU 21 Cb 0.04 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.47 1ohr s GLU 21 CO -0.09 0.70 0.38 0.00 -0.54 0.00 0.00 175.26 175.71 1ohr s ALA 22 N -1.13 -0.97 -0.18 6.30 0.00 0.13 -4.37 121.76 121.55 1ohr s ALA 22 Ca 0.20 0.47 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1ohr s ALA 22 Cb -0.12 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1ohr s ALA 22 CO 0.10 -0.31 0.69 -1.17 0.00 0.00 0.00 175.76 175.07 1ohr s LEU 23 N -1.42 4.17 -0.36 0.00 2.96 0.06 0.14 118.68 124.23 1ohr s LEU 23 Ca -0.12 0.95 -0.28 0.00 -0.22 0.00 0.00 54.13 54.46 1ohr s LEU 23 Cb -0.04 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.68 1ohr s LEU 23 CO 0.04 -0.29 1.01 -0.76 -1.32 0.00 0.00 176.35 175.03 1ohr s LEU 24 N 1.87 3.93 -0.33 -0.68 1.43 -0.54 -0.56 118.68 123.80 1ohr s LEU 24 Ca 0.32 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.22 1ohr s LEU 24 Cb -0.16 -3.41 0.10 0.00 0.03 0.00 0.00 46.19 42.74 1ohr s LEU 24 CO 0.11 -0.91 0.05 -0.62 0.23 0.00 0.00 176.35 175.22 1ohr s ASP 25 N 1.84 4.57 0.41 2.29 -1.08 -0.18 -4.75 116.67 119.76 1ohr s ASP 25 Ca 0.42 -1.99 0.29 0.00 -0.52 0.00 0.00 52.55 50.75 1ohr s ASP 25 Cb -0.12 -1.44 1.29 0.00 -1.46 0.00 0.00 42.92 41.20 1ohr s ASP 25 CO 0.19 -0.38 1.86 0.71 0.52 0.00 0.00 175.17 178.07 1ohr h THR 26 N 6.59 0.00 0.00 1.71 1.35 -1.95 -2.36 112.91 118.25 1ohr h THR 26 Ca -0.07 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1ohr h THR 26 Cb 1.02 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1ohr h THR 26 CO 0.50 0.00 -0.29 1.23 -0.25 0.00 0.00 175.52 176.71 1ohr h GLY 27 N 1.62 0.00 -5.82 5.82 0.00 -1.94 -3.45 103.07 99.30 1ohr h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1ohr h GLY 27 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.66 1ohr s ALA 28 N -3.24 3.52 0.16 3.60 0.00 -0.89 -4.94 121.76 119.97 1ohr s ALA 28 Ca 0.05 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1ohr s ALA 28 Cb 0.06 -2.97 0.10 0.00 0.00 0.00 0.00 23.12 20.32 1ohr s ALA 28 CO 0.71 -0.48 1.46 -0.44 0.00 0.00 0.00 175.76 177.00 1ohr h ASP 29 N 7.35 0.00 -1.77 0.00 3.32 -1.87 0.38 116.42 123.83 1ohr h ASP 29 Ca -0.33 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.15 1ohr h ASP 29 Cb 1.15 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 1ohr h ASP 29 CO 0.77 0.76 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.70 1ohr s ASP 30 N -6.72 4.35 -0.19 6.45 1.01 -1.26 -3.31 116.67 116.99 1ohr s ASP 30 Ca 0.00 -1.01 -0.08 0.00 0.71 0.00 0.00 52.55 52.17 1ohr s ASP 30 Cb 0.11 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 1ohr s ASP 30 CO 0.78 -0.38 0.09 -0.89 0.21 0.00 0.00 175.17 174.98 1ohr s THR 31 N -2.55 4.99 -0.13 -1.27 2.01 -1.26 -3.15 115.64 114.28 1ohr s THR 31 Ca 0.38 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1ohr s THR 31 Cb 0.02 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1ohr s THR 31 CO 0.21 0.44 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.74 1ohr s VAL 32 N 0.47 1.60 0.18 3.82 1.01 -0.44 -1.17 120.40 125.86 1ohr s VAL 32 Ca 0.05 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1ohr s VAL 32 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ohr s VAL 32 CO 0.00 0.46 -0.09 -0.76 0.00 0.00 0.00 175.10 174.71 1ohr s LEU 33 N 1.16 2.99 0.76 3.92 1.43 0.78 -0.29 118.68 129.42 1ohr s LEU 33 Ca -0.02 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1ohr s LEU 33 Cb -0.14 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.46 1ohr s LEU 33 CO -0.05 0.10 1.12 -0.62 0.23 0.00 0.00 176.35 177.13 1ohr n GLU 34 N 0.01 0.43 -1.58 1.70 1.02 -1.26 -1.98 120.64 118.99 1ohr n GLU 34 Ca -0.11 0.21 -0.53 0.00 -0.02 0.00 0.00 57.16 56.72 1ohr n GLU 34 Cb 0.55 -2.37 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1ohr n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ohr n GLU 35 N -2.57 0.99 -3.59 3.49 4.07 -0.95 -4.59 120.64 117.49 1ohr n GLU 35 Ca 0.14 0.36 -0.13 0.00 -0.06 0.00 0.00 57.16 57.46 1ohr n GLU 35 Cb 0.50 -1.98 -0.06 0.00 -0.06 0.00 0.00 31.44 29.84 1ohr n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ohr s MET 36 N 0.40 0.77 -0.66 5.31 0.23 -1.26 -5.02 119.30 119.08 1ohr s MET 36 Ca 0.85 0.52 -0.27 0.00 -1.03 0.00 0.00 55.69 55.76 1ohr s MET 36 Cb -1.00 0.37 0.03 0.00 -1.53 0.00 0.00 34.83 32.70 1ohr s MET 36 CO 0.48 -0.17 1.22 -1.12 -2.03 0.00 0.00 175.02 173.40 1ohr s SER 37 N -0.41 6.31 0.03 -1.18 0.01 -1.26 -5.02 113.70 112.18 1ohr s SER 37 Ca -0.03 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 1ohr s SER 37 Cb -0.03 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1ohr s SER 37 CO 0.02 -1.64 0.27 -0.76 0.41 0.00 0.00 173.24 171.54 1ohr s LEU 38 N 5.27 4.35 0.97 2.44 1.43 -1.26 -5.10 118.68 126.79 1ohr s LEU 38 Ca 0.38 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 1ohr s LEU 38 Cb -0.08 -2.78 0.17 0.00 0.03 0.00 0.00 46.19 43.53 1ohr s LEU 38 CO 0.20 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.93 1ohr s PRO 39 N -1.98 0.65 0.00 1.29 0.04 -1.26 -4.95 135.00 128.78 1ohr s PRO 39 Ca 0.30 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1ohr s PRO 39 Cb -0.13 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ohr s PRO 39 CO 0.19 -2.61 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1ohr n GLY 40 N -1.01 2.40 3.91 0.56 0.00 -1.26 -5.02 105.19 104.78 1ohr n GLY 40 Ca 0.06 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 1ohr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ohr s ARG 41 N -3.11 2.41 0.19 1.61 1.81 -1.26 -5.09 118.95 115.51 1ohr s ARG 41 Ca 0.00 -0.03 -0.07 0.00 -1.72 0.00 0.00 55.73 53.91 1ohr s ARG 41 Cb 0.00 -2.13 -0.02 0.00 -0.45 0.00 0.00 34.95 32.35 1ohr s ARG 41 CO 0.00 -1.16 0.27 1.67 -0.68 0.00 0.00 175.30 175.41 1ohr s TRP 42 N -3.27 0.62 -0.06 -0.53 1.48 -1.26 -4.75 118.94 111.17 1ohr s TRP 42 Ca 0.59 -0.95 0.04 0.00 -1.06 0.00 0.00 56.10 54.71 1ohr s TRP 42 Cb -0.11 -0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 32.02 1ohr s TRP 42 CO 0.47 -0.75 -0.17 0.15 -4.06 0.00 0.00 176.95 172.59 1ohr s LYS 43 N -4.04 2.59 0.56 3.25 1.02 -0.87 -4.89 119.74 117.36 1ohr s LYS 43 Ca 0.25 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.30 1ohr s LYS 43 Cb 0.04 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 1ohr s LYS 43 CO 0.05 0.53 1.14 -1.25 -0.92 0.00 0.00 175.35 174.90 1ohr s PRO 44 N -0.50 3.28 -0.04 -1.68 0.04 -1.26 -0.60 135.00 134.24 1ohr s PRO 44 Ca 0.06 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 1ohr s PRO 44 Cb -0.12 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1ohr s PRO 44 CO 0.01 -0.91 0.58 0.21 0.04 0.00 0.00 177.00 176.93 1ohr s LYS 45 N -3.34 0.96 -0.16 4.56 2.20 -0.35 -4.86 119.74 118.75 1ohr s LYS 45 Ca 0.73 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.45 1ohr s LYS 45 Cb -0.24 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 1ohr s LYS 45 CO 0.28 -0.29 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.25 1ohr s MET 46 N -1.26 3.43 0.06 4.03 -1.94 -1.26 -0.50 119.30 121.86 1ohr s MET 46 Ca -0.12 -0.64 0.09 0.00 -1.71 0.00 0.00 55.69 53.32 1ohr s MET 46 Cb -0.01 -2.78 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 1ohr s MET 46 CO 0.08 0.11 -0.25 0.96 -0.01 0.00 0.00 175.02 175.91 1ohr s ILE 47 N 0.64 2.05 0.00 2.53 -4.36 -0.12 -4.92 121.20 117.02 1ohr s ILE 47 Ca -0.05 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 58.96 1ohr s ILE 47 Cb -0.15 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 1ohr s ILE 47 CO 0.03 0.27 -0.10 -0.83 0.24 0.00 0.00 174.94 174.55 1ohr s GLY 48 N -1.39 1.69 0.00 6.27 0.00 -1.26 -0.56 107.32 112.07 1ohr s GLY 48 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1ohr s GLY 48 CO 0.03 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.83 1ohr n GLY 49 N 1.66 6.35 0.36 0.20 0.00 0.35 -4.97 105.19 109.14 1ohr n GLY 49 Ca -0.16 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 1ohr n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ohr h ILE 50 N 0.17 0.22 -0.39 -0.61 1.08 -2.03 -2.94 117.51 113.01 1ohr h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ohr h ILE 50 Cb 0.00 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1ohr h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1ohr n GLY 51 N -1.42 0.95 0.00 5.37 0.00 -1.26 -5.03 105.19 103.81 1ohr n GLY 51 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1ohr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohr n GLY 52 N 1.20 0.76 3.75 -0.02 0.00 -1.11 -5.13 105.19 104.65 1ohr n GLY 52 Ca 0.15 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1ohr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ohr s PHE 53 N -2.70 3.05 0.06 1.61 0.40 -1.26 -0.49 117.98 118.64 1ohr s PHE 53 Ca 0.00 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1ohr s PHE 53 Cb 0.00 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1ohr s PHE 53 CO 0.00 0.52 -0.06 0.96 0.70 0.00 0.00 175.22 177.33 1ohr s ILE 54 N -1.70 0.51 0.07 0.64 -4.36 0.27 -4.94 121.20 111.69 1ohr s ILE 54 Ca 0.29 -1.38 -0.16 0.00 -0.26 0.00 0.00 60.65 59.15 1ohr s ILE 54 Cb -0.10 -0.96 -0.06 0.00 1.25 0.00 0.00 42.46 42.58 1ohr s ILE 54 CO 0.22 -0.60 0.50 -0.75 0.24 0.00 0.00 174.94 174.55 1ohr s LYS 55 N -2.43 4.04 0.20 0.37 2.20 -1.26 -0.94 119.74 121.91 1ohr s LYS 55 Ca -0.03 0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 1ohr s LYS 55 Cb -0.04 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1ohr s LYS 55 CO -0.02 0.62 0.18 0.14 -0.36 0.00 0.00 175.35 175.91 1ohr s VAL 56 N -1.19 0.01 -0.15 4.02 -7.23 0.34 -4.60 120.40 111.60 1ohr s VAL 56 Ca 0.29 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1ohr s VAL 56 Cb -0.17 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1ohr s VAL 56 CO 0.17 -0.04 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.70 1ohr s ARG 57 N -4.13 3.45 -0.19 4.82 0.52 -0.43 -1.21 118.95 121.78 1ohr s ARG 57 Ca 0.35 -0.64 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 1ohr s ARG 57 Cb 0.06 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 1ohr s ARG 57 CO 0.11 0.14 0.28 -1.14 0.02 0.00 0.00 175.30 174.71 1ohr s GLN 58 N 0.56 4.19 -0.01 3.54 0.74 0.23 -0.85 119.66 128.06 1ohr s GLN 58 Ca -0.06 0.02 0.07 0.00 0.05 0.00 0.00 55.36 55.44 1ohr s GLN 58 Cb -0.15 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1ohr s GLN 58 CO 0.03 0.12 -0.21 0.71 -0.55 0.00 0.00 175.29 175.39 1ohr s TYR 59 N 0.85 2.47 0.27 1.67 1.51 0.04 -2.05 117.35 122.11 1ohr s TYR 59 Ca 0.15 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1ohr s TYR 59 Cb -0.13 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1ohr s TYR 59 CO 0.05 0.09 0.18 -0.51 -1.11 0.00 0.00 175.55 174.25 1ohr s ASP 60 N -0.86 5.31 -1.44 2.29 1.01 -1.26 -1.50 116.67 120.22 1ohr s ASP 60 Ca 0.11 -0.36 -0.10 0.00 0.71 0.00 0.00 52.55 52.91 1ohr s ASP 60 Cb -0.10 -1.23 0.07 0.00 1.01 0.00 0.00 42.92 42.66 1ohr s ASP 60 CO 0.01 -0.09 0.70 0.00 0.21 0.00 0.00 175.17 176.00 1ohr n GLN 61 N -1.17 -4.49 -3.08 8.23 3.00 -1.14 -4.91 117.38 113.81 1ohr n GLN 61 Ca -0.07 0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 57.14 1ohr n GLN 61 Cb 0.58 -5.42 -0.06 0.00 0.00 0.00 0.00 30.24 25.35 1ohr n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ohr s ILE 62 N -3.12 4.67 -0.19 5.09 -1.09 -0.61 -4.70 121.20 121.25 1ohr s ILE 62 Ca 0.49 1.49 -0.13 0.00 -2.23 0.00 0.00 60.65 60.27 1ohr s ILE 62 Cb -0.24 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1ohr s ILE 62 CO 0.60 0.46 0.27 -0.22 -1.23 0.00 0.00 174.94 174.82 1ohr s LEU 63 N -0.59 4.19 0.02 2.97 1.98 -1.26 -0.68 118.68 125.30 1ohr s LEU 63 Ca 0.34 0.39 0.04 0.00 -2.89 0.00 0.00 54.13 52.02 1ohr s LEU 63 Cb -0.21 -2.32 -0.02 0.00 0.66 0.00 0.00 46.19 44.31 1ohr s LEU 63 CO 0.22 0.06 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.97 1ohr s ILE 64 N 0.79 1.06 -0.22 6.68 1.01 -0.03 -4.59 121.20 125.89 1ohr s ILE 64 Ca 0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1ohr s ILE 64 Cb -0.13 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 1ohr s ILE 64 CO 0.04 0.10 -0.06 -0.70 0.00 0.00 0.00 174.94 174.32 1ohr s GLU 65 N -0.85 3.31 -0.41 2.79 2.12 -0.43 -0.90 118.70 124.34 1ohr s GLU 65 Ca 0.03 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.62 1ohr s GLU 65 Cb -0.07 -2.96 0.08 0.00 0.26 0.00 0.00 34.13 31.45 1ohr s GLU 65 CO 0.01 -0.21 0.23 0.42 -0.54 0.00 0.00 175.26 175.17 1ohr s ILE 66 N 1.45 3.91 -1.28 -3.70 1.01 0.13 -1.29 121.20 121.43 1ohr s ILE 66 Ca 0.06 -1.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.11 1ohr s ILE 66 Cb -0.14 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1ohr s ILE 66 CO -0.04 -0.52 0.69 0.00 0.00 0.00 0.00 174.94 175.06 1ohr n GLY 68 N -1.62 1.51 3.51 0.00 0.00 -1.26 -5.00 105.19 102.33 1ohr n GLY 68 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1ohr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ohr s HIS 69 N -3.55 3.15 0.41 1.61 4.02 0.23 -5.07 115.29 116.09 1ohr s HIS 69 Ca 0.00 -0.20 -0.23 0.00 1.02 0.00 0.00 55.06 55.65 1ohr s HIS 69 Cb 0.00 -2.25 -0.09 0.00 -1.02 0.00 0.00 32.58 29.22 1ohr s HIS 69 CO 0.00 -0.23 1.03 0.15 1.02 0.00 0.00 174.74 176.71 1ohr s LYS 70 N 1.46 4.13 0.02 1.40 1.02 -1.26 0.18 119.74 126.69 1ohr s LYS 70 Ca 0.06 1.43 -0.07 0.00 0.02 0.00 0.00 55.97 57.41 1ohr s LYS 70 Cb -0.15 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1ohr s LYS 70 CO 0.05 -0.16 0.14 0.00 -0.92 0.00 0.00 175.35 174.46 1ohr s ALA 71 N -1.77 -0.24 -0.08 5.17 0.00 -0.08 -4.73 121.76 120.02 1ohr s ALA 71 Ca 0.60 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 1ohr s ALA 71 Cb -0.19 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1ohr s ALA 71 CO 0.24 -0.28 0.18 0.42 0.00 0.00 0.00 175.76 176.32 1ohr s ILE 72 N -2.11 -0.08 -0.65 0.00 1.01 -1.26 -0.85 121.20 117.26 1ohr s ILE 72 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1ohr s ILE 72 Cb -0.04 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1ohr s ILE 72 CO -0.02 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1ohr n GLY 73 N 4.36 -1.27 3.76 6.18 0.00 0.14 -4.88 105.19 113.49 1ohr n GLY 73 Ca -0.23 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1ohr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ohr s THR 74 N -2.86 3.66 -0.00 2.61 2.01 -1.26 -1.57 115.64 118.23 1ohr s THR 74 Ca 0.00 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.64 1ohr s THR 74 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1ohr s THR 74 CO 0.00 0.33 -0.11 0.68 -0.69 0.00 0.00 174.62 174.83 1ohr s VAL 75 N -1.26 0.89 -0.12 3.82 -7.23 -0.56 -4.45 120.40 111.49 1ohr s VAL 75 Ca 0.46 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 60.05 1ohr s VAL 75 Cb -0.29 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1ohr s VAL 75 CO 0.37 0.21 0.05 -0.76 -0.31 0.00 0.00 175.10 174.65 1ohr s LEU 76 N -0.38 3.81 -0.10 1.32 1.43 -0.32 -0.78 118.68 123.67 1ohr s LEU 76 Ca 0.04 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1ohr s LEU 76 Cb -0.05 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 1ohr s LEU 76 CO -0.00 0.34 -0.22 -0.69 0.23 0.00 0.00 176.35 176.00 1ohr s VAL 77 N -0.61 2.25 0.09 -1.59 1.01 -0.03 -0.16 120.40 121.36 1ohr s VAL 77 Ca 0.11 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 1ohr s VAL 77 Cb -0.12 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1ohr s VAL 77 CO 0.02 0.56 0.46 0.61 0.00 0.00 0.00 175.10 176.75 1ohr n GLY 78 N 3.41 1.03 1.79 4.51 0.00 -0.84 -1.31 105.19 113.78 1ohr n GLY 78 Ca -0.19 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 1ohr n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ohr n PRO 79 N -0.32 1.57 -2.38 1.61 -0.04 -1.26 -2.24 135.00 131.92 1ohr n PRO 79 Ca -0.01 -0.58 -0.38 0.00 -0.04 0.00 0.00 63.50 62.49 1ohr n PRO 79 Cb 0.27 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 1ohr n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ohr s THR 80 N 0.49 3.35 0.28 0.52 -1.32 -1.26 -4.97 115.64 112.74 1ohr s THR 80 Ca 0.37 1.10 0.22 0.00 -1.21 0.00 0.00 61.69 62.17 1ohr s THR 80 Cb 0.18 -3.60 0.20 0.00 -1.51 0.00 0.00 72.50 67.77 1ohr s THR 80 CO -0.00 0.07 1.88 1.55 -2.21 0.00 0.00 174.62 175.91 1ohr h PRO 81 N 2.60 0.00 -3.59 7.08 0.13 -1.98 -3.43 132.00 132.81 1ohr h PRO 81 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 1ohr h PRO 81 Cb 1.23 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.15 1ohr h PRO 81 CO 0.62 0.26 -0.54 0.54 -0.23 0.00 0.00 178.00 178.66 1ohr s VAL 82 N -3.93 0.08 0.18 1.56 0.11 -1.26 -5.06 120.40 112.09 1ohr s VAL 82 Ca -0.01 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 1ohr s VAL 82 Cb 0.12 -0.38 -0.08 0.00 -1.53 0.00 0.00 36.38 34.52 1ohr s VAL 82 CO 0.65 -0.36 1.19 0.20 -3.33 0.00 0.00 175.10 173.45 1ohr s ASN 83 N -1.25 7.10 -0.18 3.54 0.01 -1.26 -4.64 114.94 118.25 1ohr s ASN 83 Ca -0.13 2.22 0.01 0.00 -0.71 0.00 0.00 52.86 54.24 1ohr s ASN 83 Cb -0.07 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.00 1ohr s ASN 83 CO 0.01 -0.36 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.42 1ohr s ILE 84 N -0.07 2.18 -0.37 0.60 1.01 0.60 -0.76 121.20 124.39 1ohr s ILE 84 Ca 0.53 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1ohr s ILE 84 Cb -0.32 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1ohr s ILE 84 CO 0.36 0.53 0.40 -0.63 0.00 0.00 0.00 174.94 175.61 1ohr s ILE 85 N 1.28 5.13 0.69 2.92 -1.09 0.28 -1.33 121.20 129.08 1ohr s ILE 85 Ca 0.04 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1ohr s ILE 85 Cb -0.13 -3.90 0.14 0.00 -1.58 0.00 0.00 42.46 36.99 1ohr s ILE 85 CO -0.12 -0.21 0.95 0.61 -1.23 0.00 0.00 174.94 174.95 1ohr n GLY 86 N 4.99 0.11 0.27 6.18 0.00 -1.19 -1.01 105.19 114.55 1ohr n GLY 86 Ca -0.08 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1ohr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ohr h ARG 87 N 0.00 0.19 -0.01 1.61 3.08 -1.03 -1.39 114.38 116.82 1ohr h ARG 87 Ca -0.31 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1ohr h ARG 87 Cb 1.06 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1ohr h ARG 87 CO 0.30 0.14 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.37 1ohr h ASN 88 N 0.19 0.01 0.07 7.04 -1.07 -1.82 -1.76 115.58 118.24 1ohr h ASN 88 Ca 0.05 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.05 1ohr h ASN 88 Cb 0.00 -0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.19 1ohr h ASN 88 CO -0.01 0.03 -2.28 0.18 0.07 0.00 0.00 177.43 175.42 1ohr n LEU 89 N -4.51 2.24 -0.30 6.14 4.77 -0.81 -4.31 117.00 120.21 1ohr n LEU 89 Ca -0.03 0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1ohr n LEU 89 Cb 0.11 -0.65 0.18 0.00 -2.33 0.00 0.00 43.42 40.73 1ohr n LEU 89 CO 0.34 0.80 1.15 -0.07 -1.33 0.00 0.00 177.39 178.29 1ohr h LEU 90 N 0.02 0.71 -0.73 2.23 3.38 -1.10 -0.55 115.31 119.27 1ohr h LEU 90 Ca -0.51 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1ohr h LEU 90 Cb 2.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 1ohr h LEU 90 CO -0.01 0.39 0.43 0.71 0.09 0.00 0.00 178.44 180.05 1ohr h THR 91 N 0.81 1.21 -0.18 0.22 1.35 -1.54 -2.16 112.91 112.62 1ohr h THR 91 Ca 0.42 -0.49 0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1ohr h THR 91 Cb 0.40 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1ohr h THR 91 CO -0.26 0.22 0.13 1.56 -0.25 0.00 0.00 175.52 176.92 1ohr h GLN 92 N 1.00 0.09 -0.53 4.72 4.20 -1.29 -0.23 115.11 123.07 1ohr h GLN 92 Ca 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1ohr h GLN 92 Cb -0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1ohr h GLN 92 CO -0.05 0.06 0.00 0.44 -0.67 0.00 0.00 178.83 178.61 1ohr n ILE 93 N -4.50 0.76 -2.40 2.54 -5.35 -0.87 -4.93 119.36 104.62 1ohr n ILE 93 Ca 0.01 -0.71 -0.13 0.00 -0.27 0.00 0.00 62.75 61.65 1ohr n ILE 93 Cb 0.20 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1ohr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ohr n GLY 94 N 1.29 -0.10 3.69 3.28 0.00 -0.10 -4.99 105.19 108.27 1ohr n GLY 94 Ca 0.18 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ohr n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohr s THR 96 N 1.90 2.16 -0.14 0.00 -4.23 -1.26 -4.74 115.64 109.32 1ohr s THR 96 Ca 0.57 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 1ohr s THR 96 Cb -0.26 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 1ohr s THR 96 CO 0.24 -0.27 0.29 -0.76 -0.54 0.00 0.00 174.62 173.57 1ohr s LEU 97 N -2.88 4.28 -0.02 4.79 1.43 -1.26 -5.08 118.68 119.93 1ohr s LEU 97 Ca 0.21 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1ohr s LEU 97 Cb -0.06 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1ohr s LEU 97 CO 0.10 0.15 -0.09 0.20 0.23 0.00 0.00 176.35 176.94 1ohr s ASN 98 N 0.20 1.11 0.00 2.29 0.01 -1.26 -5.30 114.94 112.00 1ohr s ASN 98 Ca 0.17 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1ohr s ASN 98 Cb -0.13 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.28 1ohr s ASN 98 CO 0.05 0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.93