#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4l s GLN 2 N 0.00 3.17 -0.25 0.54 0.74 -1.26 -5.09 119.66 117.50 2o4l s GLN 2 Ca 0.00 -0.81 -0.07 0.00 0.05 0.00 0.00 55.36 54.53 2o4l s GLN 2 Cb 0.00 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 2o4l s GLN 2 CO 0.00 -0.43 0.06 0.42 -0.55 0.00 0.00 175.29 174.79 2o4l s ILE 3 N 1.53 4.17 0.87 -2.34 1.01 -1.26 -5.09 121.20 120.08 2o4l s ILE 3 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 2o4l s ILE 3 Cb -0.17 -2.97 0.13 0.00 0.01 0.00 0.00 42.46 39.46 2o4l s ILE 3 CO 0.03 0.32 1.23 0.42 0.00 0.00 0.00 174.94 176.94 2o4l s THR 4 N 1.59 2.02 -0.11 2.92 -4.23 -1.26 -5.02 115.64 111.54 2o4l s THR 4 Ca 0.06 -0.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.71 2o4l s THR 4 Cb -0.15 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.95 2o4l s THR 4 CO 0.03 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.42 2o4l n LEU 5 N -3.47 2.11 0.07 4.79 4.77 -1.26 -4.63 117.00 119.37 2o4l n LEU 5 Ca 0.11 -2.86 0.04 0.00 -0.03 0.00 0.00 56.01 53.27 2o4l n LEU 5 Cb 0.60 -0.38 0.43 0.00 -2.33 0.00 0.00 43.42 41.75 2o4l n LEU 5 CO 0.52 0.66 1.06 -0.50 -1.33 0.00 0.00 177.39 177.79 2o4l h TRP 6 N 0.00 0.38 -2.70 -1.77 4.06 -2.06 -3.44 115.95 110.43 2o4l h TRP 6 Ca 0.00 -0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.45 2o4l h TRP 6 Cb 1.03 -0.12 -0.14 0.00 -1.00 0.00 0.00 29.16 28.93 2o4l h TRP 6 CO 0.01 0.31 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.02 2o4l s LYS 7 N -5.18 1.71 0.21 0.49 -2.85 -1.26 -5.11 119.74 107.75 2o4l s LYS 7 Ca -0.07 -1.97 -0.32 0.00 -1.00 0.00 0.00 55.97 52.61 2o4l s LYS 7 Cb 0.17 -0.89 -0.12 0.00 -2.06 0.00 0.00 37.83 34.92 2o4l s LYS 7 CO 0.73 -0.22 1.69 0.54 0.10 0.00 0.00 175.35 178.18 2o4l n ARG 8 N -0.74 2.67 -2.31 1.78 1.74 -1.26 -4.87 116.66 113.66 2o4l n ARG 8 Ca -0.03 0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 57.61 2o4l n ARG 8 Cb 0.66 -2.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.30 2o4l n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4l n PRO 9 N 3.68 2.76 -3.40 5.56 -0.04 -1.26 -4.95 135.00 137.35 2o4l n PRO 9 Ca 0.15 -2.97 -0.38 0.00 -0.04 0.00 0.00 63.50 60.26 2o4l n PRO 9 Cb 0.34 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.24 2o4l n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4l s LEU 10 N 5.28 4.40 0.17 1.53 1.43 -1.26 -1.27 118.68 128.96 2o4l s LEU 10 Ca 0.56 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2o4l s LEU 10 Cb 0.05 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2o4l s LEU 10 CO 0.07 0.18 0.05 0.68 0.23 0.00 0.00 176.35 177.57 2o4l s VAL 11 N -0.37 0.37 -0.01 -1.59 -7.23 0.02 -4.94 120.40 106.64 2o4l s VAL 11 Ca 0.25 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 2o4l s VAL 11 Cb -0.16 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2o4l s VAL 11 CO 0.13 -0.37 0.68 -0.89 -0.31 0.00 0.00 175.10 174.33 2o4l s THR 12 N -3.87 4.91 0.23 5.32 2.01 -1.26 -0.56 115.64 122.42 2o4l s THR 12 Ca 0.27 1.41 0.11 0.00 0.31 0.00 0.00 61.69 63.80 2o4l s THR 12 Cb 0.07 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2o4l s THR 12 CO 0.05 0.34 -0.19 0.27 -0.69 0.00 0.00 174.62 174.40 2o4l s ILE 13 N 0.21 2.60 -0.13 1.82 -4.36 0.50 -1.47 121.20 120.36 2o4l s ILE 13 Ca 0.35 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 2o4l s ILE 13 Cb -0.19 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.23 2o4l s ILE 13 CO 0.19 -0.24 -0.17 -0.75 0.24 0.00 0.00 174.94 174.21 2o4l s LYS 14 N -3.08 2.53 -0.21 0.37 2.20 0.14 -1.36 119.74 120.33 2o4l s LYS 14 Ca 0.26 -0.67 -0.16 0.00 -0.36 0.00 0.00 55.97 55.04 2o4l s LYS 14 Cb -0.07 -2.16 0.06 0.00 -1.51 0.00 0.00 37.83 34.15 2o4l s LYS 14 CO 0.13 -0.11 0.55 -1.50 -0.36 0.00 0.00 175.35 174.06 2o4l s ILE 15 N 1.10 -0.01 -1.40 5.43 2.07 -0.34 -1.30 121.20 126.76 2o4l s ILE 15 Ca -0.03 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.16 2o4l s ILE 15 Cb -0.14 -0.78 0.05 0.00 0.13 0.00 0.00 42.46 41.72 2o4l s ILE 15 CO -0.05 0.01 0.58 0.61 -1.91 0.00 0.00 174.94 174.18 2o4l n GLY 16 N 3.51 -0.50 2.27 1.50 0.00 -1.26 -0.62 105.19 110.09 2o4l n GLY 16 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2o4l n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4l n GLY 17 N -1.34 0.53 3.45 -0.02 0.00 -1.26 -5.03 105.19 101.51 2o4l n GLY 17 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2o4l n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4l s GLN 18 N -0.19 1.70 -0.20 1.61 -0.21 0.21 -5.12 119.66 117.46 2o4l s GLN 18 Ca 0.00 -1.21 -0.08 0.00 0.02 0.00 0.00 55.36 54.09 2o4l s GLN 18 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2o4l s GLN 18 CO 0.00 0.48 0.09 -0.51 -2.12 0.00 0.00 175.29 173.23 2o4l s LEU 19 N -1.99 3.90 0.07 2.90 1.43 -1.26 -1.20 118.68 122.53 2o4l s LEU 19 Ca 0.16 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2o4l s LEU 19 Cb -0.10 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2o4l s LEU 19 CO 0.08 0.13 -0.05 -0.54 0.23 0.00 0.00 176.35 176.20 2o4l s LYS 20 N 0.62 0.71 -0.14 1.70 1.02 -0.47 -4.98 119.74 118.20 2o4l s LYS 20 Ca 0.05 -1.21 -0.15 0.00 0.02 0.00 0.00 55.97 54.68 2o4l s LYS 20 Cb -0.13 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.06 2o4l s LYS 20 CO 0.01 -0.04 0.34 -2.00 -0.92 0.00 0.00 175.35 172.75 2o4l s GLU 21 N -3.52 4.25 0.05 1.68 2.12 -1.26 -0.37 118.70 121.65 2o4l s GLU 21 Ca 0.07 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.60 2o4l s GLU 21 Cb 0.04 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2o4l s GLU 21 CO -0.06 0.25 -0.05 0.00 -0.54 0.00 0.00 175.26 174.86 2o4l s ALA 22 N 0.42 0.52 -0.22 6.30 0.00 0.27 -4.49 121.76 124.56 2o4l s ALA 22 Ca 0.19 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 2o4l s ALA 22 Cb -0.14 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2o4l s ALA 22 CO 0.06 -0.21 0.39 -1.17 0.00 0.00 0.00 175.76 174.83 2o4l s LEU 23 N -2.28 4.12 -0.38 0.00 2.96 0.47 -0.80 118.68 122.76 2o4l s LEU 23 Ca -0.02 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 2o4l s LEU 23 Cb -0.01 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2o4l s LEU 23 CO -0.04 -0.11 1.30 -0.76 -1.32 0.00 0.00 176.35 175.41 2o4l s LEU 24 N 1.53 3.72 -0.32 -0.68 1.43 -0.40 -0.49 118.68 123.48 2o4l s LEU 24 Ca 0.18 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 2o4l s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2o4l s LEU 24 CO 0.08 -1.24 0.06 -0.62 0.23 0.00 0.00 176.35 174.86 2o4l s ASP 25 N 3.09 4.45 0.31 2.29 -1.08 -0.21 -4.78 116.67 120.73 2o4l s ASP 25 Ca 0.56 -1.90 0.25 0.00 -0.52 0.00 0.00 52.55 50.94 2o4l s ASP 25 Cb -0.13 -1.33 1.05 0.00 -1.46 0.00 0.00 42.92 41.05 2o4l s ASP 25 CO 0.28 -0.38 1.76 0.71 0.52 0.00 0.00 175.17 178.06 2o4l h THR 26 N 6.58 0.00 0.00 1.71 1.35 -1.94 -2.61 112.91 118.00 2o4l h THR 26 Ca -0.09 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 2o4l h THR 26 Cb 1.02 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2o4l h THR 26 CO 0.49 0.00 -0.17 1.23 -0.25 0.00 0.00 175.52 176.83 2o4l h GLY 27 N 2.23 0.00 -5.53 5.82 0.00 -1.94 -3.46 103.07 100.20 2o4l h GLY 27 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2o4l h GLY 27 CO 0.00 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.64 2o4l s ALA 28 N -3.21 3.46 0.24 3.60 0.00 -0.98 -4.96 121.76 119.90 2o4l s ALA 28 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 2o4l s ALA 28 Cb 0.06 -2.95 0.25 0.00 0.00 0.00 0.00 23.12 20.48 2o4l s ALA 28 CO 0.69 -0.34 1.79 -0.44 0.00 0.00 0.00 175.76 177.47 2o4l h ASP 29 N 7.11 0.98 -2.16 0.00 3.32 -1.88 0.80 116.42 124.59 2o4l h ASP 29 Ca -0.36 -0.16 -0.61 0.00 0.02 0.00 0.00 57.03 55.92 2o4l h ASP 29 Cb 1.16 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 2o4l h ASP 29 CO 0.77 0.90 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.65 2o4l s ASP 30 N -6.45 3.59 -0.22 6.45 1.01 -1.26 -2.53 116.67 117.26 2o4l s ASP 30 Ca -0.11 -1.09 -0.13 0.00 0.71 0.00 0.00 52.55 51.92 2o4l s ASP 30 Cb 0.16 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2o4l s ASP 30 CO 0.83 -0.06 0.27 -0.89 0.21 0.00 0.00 175.17 175.53 2o4l s THR 31 N -2.57 5.29 -0.06 -1.27 2.01 -1.26 -3.32 115.64 114.45 2o4l s THR 31 Ca 0.31 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2o4l s THR 31 Cb -0.02 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2o4l s THR 31 CO 0.15 0.31 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 2o4l s VAL 32 N 1.14 0.62 0.13 3.82 1.01 -0.40 -0.98 120.40 125.74 2o4l s VAL 32 Ca 0.13 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.09 2o4l s VAL 32 Cb -0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2o4l s VAL 32 CO 0.06 0.27 -0.16 -0.76 0.00 0.00 0.00 175.10 174.50 2o4l s LEU 33 N 1.31 2.75 0.97 3.92 1.43 0.25 -0.54 118.68 128.77 2o4l s LEU 33 Ca -0.04 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2o4l s LEU 33 Cb -0.14 -1.56 0.17 0.00 0.03 0.00 0.00 46.19 44.70 2o4l s LEU 33 CO -0.02 0.16 1.10 -1.61 0.23 0.00 0.00 176.35 176.21 2o4l s GLU 34 N -2.29 0.61 0.09 1.70 2.02 -1.26 -1.24 118.70 118.34 2o4l s GLU 34 Ca 0.19 1.25 -0.37 0.00 0.02 0.00 0.00 54.97 56.07 2o4l s GLU 34 Cb -0.10 -1.70 -0.17 0.00 0.10 0.00 0.00 34.13 32.26 2o4l s GLU 34 CO 0.11 -2.81 1.34 0.39 0.02 0.00 0.00 175.26 174.31 2o4l n GLU 35 N -4.33 1.17 -3.58 1.61 -0.58 -1.24 -4.59 120.64 109.09 2o4l n GLU 35 Ca 0.09 0.42 -0.07 0.00 -0.42 0.00 0.00 57.16 57.17 2o4l n GLU 35 Cb 0.53 -2.06 -0.02 0.00 -0.57 0.00 0.00 31.44 29.32 2o4l n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o4l s MET 36 N 0.47 1.04 0.06 3.49 0.23 -1.26 -5.05 119.30 118.28 2o4l s MET 36 Ca 0.84 -0.46 -0.20 0.00 -1.03 0.00 0.00 55.69 54.84 2o4l s MET 36 Cb -0.95 0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 32.72 2o4l s MET 36 CO 0.47 -0.46 0.59 0.45 -2.03 0.00 0.00 175.02 174.03 2o4l s SER 37 N -2.67 7.07 0.06 -1.18 0.15 -1.26 -5.04 113.70 110.82 2o4l s SER 37 Ca 0.07 1.27 0.04 0.00 0.70 0.00 0.00 55.95 58.02 2o4l s SER 37 Cb -0.01 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 2o4l s SER 37 CO -0.05 0.23 -0.11 -0.76 1.20 0.00 0.00 173.24 173.75 2o4l s LEU 38 N -0.90 2.27 0.55 3.45 1.43 -1.26 -4.94 118.68 119.28 2o4l s LEU 38 Ca 0.30 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 2o4l s LEU 38 Cb -0.19 -0.33 -0.06 0.00 0.03 0.00 0.00 46.19 45.64 2o4l s LEU 38 CO 0.19 -0.15 1.02 -2.16 0.23 0.00 0.00 176.35 175.48 2o4l s PRO 39 N -1.68 3.67 0.49 1.29 0.04 -1.26 -4.95 135.00 132.61 2o4l s PRO 39 Ca -0.06 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2o4l s PRO 39 Cb -0.10 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2o4l s PRO 39 CO 0.01 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2o4l n GLY 40 N -1.42 -1.80 3.82 0.56 0.00 -1.26 -4.97 105.19 100.12 2o4l n GLY 40 Ca 0.07 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2o4l n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4l s ARG 41 N 0.00 4.00 0.13 1.61 1.81 -1.26 -5.09 118.95 120.15 2o4l s ARG 41 Ca 0.00 1.10 -0.08 0.00 -1.72 0.00 0.00 55.73 55.03 2o4l s ARG 41 Cb 0.00 -2.14 -0.01 0.00 -0.45 0.00 0.00 34.95 32.35 2o4l s ARG 41 CO 0.00 -0.23 0.23 1.67 -0.68 0.00 0.00 175.30 176.28 2o4l s TRP 42 N -2.33 0.30 0.03 -0.53 1.48 -1.26 -4.35 118.94 112.28 2o4l s TRP 42 Ca 0.62 -0.70 -0.02 0.00 -1.06 0.00 0.00 56.10 54.94 2o4l s TRP 42 Cb -0.11 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.10 2o4l s TRP 42 CO 0.22 -0.62 0.01 -1.59 -4.06 0.00 0.00 176.95 170.91 2o4l s LYS 43 N -3.92 0.45 0.59 3.25 -2.85 -0.92 -4.93 119.74 111.41 2o4l s LYS 43 Ca 0.12 -0.76 -0.17 0.00 -1.00 0.00 0.00 55.97 54.16 2o4l s LYS 43 Cb 0.04 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2o4l s LYS 43 CO -0.05 -0.09 1.09 -1.25 0.10 0.00 0.00 175.35 175.15 2o4l s PRO 44 N -2.23 3.25 -0.02 1.78 0.04 -1.26 -0.36 135.00 136.20 2o4l s PRO 44 Ca -0.09 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 2o4l s PRO 44 Cb -0.04 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2o4l s PRO 44 CO -0.03 -0.89 0.35 0.21 0.04 0.00 0.00 177.00 176.68 2o4l s LYS 45 N -3.78 0.71 -0.13 4.56 2.20 -0.53 -4.83 119.74 117.94 2o4l s LYS 45 Ca 0.67 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 2o4l s LYS 45 Cb -0.19 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2o4l s LYS 45 CO 0.33 -0.20 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.40 2o4l s MET 46 N -1.30 3.45 0.10 4.03 -1.94 -1.26 -0.67 119.30 121.72 2o4l s MET 46 Ca -0.13 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 2o4l s MET 46 Cb -0.05 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 2o4l s MET 46 CO 0.05 0.27 -0.13 0.96 -0.01 0.00 0.00 175.02 176.16 2o4l s ILE 47 N 0.24 1.19 -0.11 2.53 -4.36 -0.54 -4.97 121.20 115.18 2o4l s ILE 47 Ca -0.06 -1.56 -0.07 0.00 -0.26 0.00 0.00 60.65 58.70 2o4l s ILE 47 Cb -0.15 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 2o4l s ILE 47 CO 0.04 -0.37 0.15 -0.83 0.24 0.00 0.00 174.94 174.17 2o4l s GLY 48 N -2.21 2.17 0.01 6.27 0.00 -1.26 -1.73 107.32 110.58 2o4l s GLY 48 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2o4l s GLY 48 CO 0.02 -0.39 0.01 0.61 0.00 0.00 0.00 173.10 173.35 2o4l n GLY 49 N 1.88 4.07 0.30 0.20 0.00 -0.26 -5.01 105.19 106.38 2o4l n GLY 49 Ca -0.19 -1.89 0.20 0.00 0.00 0.00 0.00 46.02 44.14 2o4l n GLY 49 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2o4l h VAL 50 N 1.02 0.00 0.00 1.61 3.04 -2.03 -3.13 116.25 116.75 2o4l h VAL 50 Ca -0.01 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2o4l h VAL 50 Cb 0.04 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 2o4l h VAL 50 CO 0.02 0.00 -0.03 0.61 -1.01 0.00 0.00 177.57 177.16 2o4l n GLY 51 N -0.98 4.60 0.00 3.17 0.00 -1.26 -5.11 105.19 105.61 2o4l n GLY 51 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2o4l n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4l n GLY 52 N -1.34 -0.17 3.85 -0.02 0.00 -1.19 -5.07 105.19 101.26 2o4l n GLY 52 Ca 0.15 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 2o4l n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4l s PHE 53 N 0.00 3.41 0.10 1.61 0.40 -1.26 -1.10 117.98 121.14 2o4l s PHE 53 Ca 0.00 0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.65 2o4l s PHE 53 Cb 0.00 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 2o4l s PHE 53 CO 0.00 0.59 -0.20 0.96 0.70 0.00 0.00 175.22 177.27 2o4l s ILE 54 N -1.34 1.63 -0.05 0.64 -4.36 -0.70 -4.96 121.20 112.04 2o4l s ILE 54 Ca 0.28 -1.54 -0.21 0.00 -0.26 0.00 0.00 60.65 58.93 2o4l s ILE 54 Cb -0.12 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 42.03 2o4l s ILE 54 CO 0.20 -0.11 0.59 -0.75 0.24 0.00 0.00 174.94 175.12 2o4l s LYS 55 N -1.96 4.35 0.24 0.37 2.20 -1.26 -1.47 119.74 122.21 2o4l s LYS 55 Ca 0.06 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 2o4l s LYS 55 Cb -0.10 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2o4l s LYS 55 CO 0.04 0.24 0.04 0.14 -0.36 0.00 0.00 175.35 175.45 2o4l s VAL 56 N 0.27 0.80 -0.19 4.02 -7.23 0.16 -4.45 120.40 113.77 2o4l s VAL 56 Ca 0.32 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 2o4l s VAL 56 Cb -0.17 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2o4l s VAL 56 CO 0.16 -0.20 0.13 -0.13 -0.31 0.00 0.00 175.10 174.74 2o4l s ARG 57 N -3.94 4.13 -0.33 4.82 0.52 0.09 -1.45 118.95 122.79 2o4l s ARG 57 Ca 0.32 -0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 55.18 2o4l s ARG 57 Cb 0.07 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 2o4l s ARG 57 CO 0.10 0.33 0.27 -1.14 0.02 0.00 0.00 175.30 174.89 2o4l s GLN 58 N 0.26 3.60 -0.18 3.54 0.74 0.51 -1.07 119.66 127.07 2o4l s GLN 58 Ca 0.08 -0.50 -0.04 0.00 0.05 0.00 0.00 55.36 54.95 2o4l s GLN 58 Cb -0.11 -3.78 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 2o4l s GLN 58 CO -0.02 -0.42 -0.04 0.71 -0.55 0.00 0.00 175.29 174.98 2o4l s TYR 59 N 1.83 2.99 0.21 1.67 1.51 -0.46 -2.16 117.35 122.94 2o4l s TYR 59 Ca 0.08 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 2o4l s TYR 59 Cb -0.17 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2o4l s TYR 59 CO 0.11 -0.20 0.33 -0.51 -1.11 0.00 0.00 175.55 174.16 2o4l s ASP 60 N 0.75 6.30 -1.17 2.29 1.01 -1.26 -0.90 116.67 123.68 2o4l s ASP 60 Ca -0.02 0.10 -0.05 0.00 0.71 0.00 0.00 52.55 53.29 2o4l s ASP 60 Cb -0.14 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 41.90 2o4l s ASP 60 CO 0.02 -0.02 0.87 0.00 0.21 0.00 0.00 175.17 176.24 2o4l n GLN 61 N -1.09 -4.01 -4.22 8.23 6.02 -1.18 -4.92 117.38 116.22 2o4l n GLN 61 Ca -0.08 0.74 -0.34 0.00 -0.01 0.00 0.00 57.00 57.31 2o4l n GLN 61 Cb 0.56 -5.44 -0.12 0.00 1.02 0.00 0.00 30.24 26.26 2o4l n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2o4l s ILE 62 N -3.47 4.06 0.26 5.09 -1.09 -0.28 -4.86 121.20 120.91 2o4l s ILE 62 Ca 0.21 -0.29 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 2o4l s ILE 62 Cb -0.04 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.94 2o4l s ILE 62 CO 0.77 0.46 1.01 -0.76 -1.23 0.00 0.00 174.94 175.20 2o4l s LEU 63 N 0.60 4.61 0.02 2.97 1.43 -1.26 -1.82 118.68 125.22 2o4l s LEU 63 Ca -0.01 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 2o4l s LEU 63 Cb -0.14 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.48 2o4l s LEU 63 CO 0.02 0.02 0.26 -0.51 0.23 0.00 0.00 176.35 176.38 2o4l s ILE 64 N -1.17 0.08 -0.11 -0.59 2.07 -0.55 -4.52 121.20 116.41 2o4l s ILE 64 Ca 0.43 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 2o4l s ILE 64 Cb -0.29 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.54 2o4l s ILE 64 CO 0.36 -0.37 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.20 2o4l s GLU 65 N -2.07 1.94 -0.20 3.50 2.12 -0.42 -1.15 118.70 122.42 2o4l s GLU 65 Ca -0.09 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2o4l s GLU 65 Cb -0.03 -1.77 0.02 0.00 0.26 0.00 0.00 34.13 32.62 2o4l s GLU 65 CO -0.01 -0.15 -0.16 0.42 -0.54 0.00 0.00 175.26 174.83 2o4l s ILE 66 N 1.27 2.28 -1.62 -3.70 1.01 0.32 -0.68 121.20 120.08 2o4l s ILE 66 Ca -0.02 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 2o4l s ILE 66 Cb -0.14 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.38 2o4l s ILE 66 CO -0.05 0.40 0.56 0.00 0.00 0.00 0.00 174.94 175.85 2o4l n GLY 68 N -1.69 0.87 3.41 0.00 0.00 -1.26 -5.02 105.19 101.50 2o4l n GLY 68 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2o4l n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4l s HIS 69 N -3.46 2.94 0.23 1.61 4.02 0.44 -5.10 115.29 115.98 2o4l s HIS 69 Ca 0.00 -0.58 -0.25 0.00 1.02 0.00 0.00 55.06 55.25 2o4l s HIS 69 Cb 0.00 -1.97 -0.09 0.00 -1.02 0.00 0.00 32.58 29.50 2o4l s HIS 69 CO 0.00 -0.24 0.83 0.15 1.02 0.00 0.00 174.74 176.49 2o4l s LYS 70 N 0.71 4.53 0.27 1.40 1.02 -1.26 -0.52 119.74 125.89 2o4l s LYS 70 Ca -0.03 1.17 -0.14 0.00 0.02 0.00 0.00 55.97 56.99 2o4l s LYS 70 Cb -0.15 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2o4l s LYS 70 CO 0.02 0.45 0.55 0.00 -0.92 0.00 0.00 175.35 175.45 2o4l s ALA 71 N -1.37 -0.38 0.03 5.17 0.00 -0.30 -4.79 121.76 120.12 2o4l s ALA 71 Ca 0.42 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2o4l s ALA 71 Cb -0.21 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2o4l s ALA 71 CO 0.25 -0.90 -0.08 -1.50 0.00 0.00 0.00 175.76 173.53 2o4l s ILE 72 N -3.77 0.58 -0.32 0.00 2.07 -1.26 -1.48 121.20 117.02 2o4l s ILE 72 Ca 0.20 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 2o4l s ILE 72 Cb -0.02 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.98 2o4l s ILE 72 CO 0.10 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 2o4l n GLY 73 N 1.94 -1.23 3.74 1.50 0.00 -0.76 -4.91 105.19 105.47 2o4l n GLY 73 Ca -0.19 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2o4l n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4l s THR 74 N -2.55 4.22 -0.09 2.61 2.01 -1.26 -1.12 115.64 119.45 2o4l s THR 74 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 2o4l s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2o4l s THR 74 CO 0.00 0.34 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.42 2o4l s VAL 75 N -0.30 1.48 0.03 3.82 1.01 -0.08 -4.52 120.40 121.83 2o4l s VAL 75 Ca 0.47 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2o4l s VAL 75 Cb -0.26 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2o4l s VAL 75 CO 0.32 0.43 0.23 -0.76 0.00 0.00 0.00 175.10 175.32 2o4l s LEU 76 N 0.79 4.36 -0.07 3.92 1.43 -0.15 -1.35 118.68 127.60 2o4l s LEU 76 Ca -0.11 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2o4l s LEU 76 Cb -0.16 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.29 2o4l s LEU 76 CO 0.02 0.21 -0.07 -0.69 0.23 0.00 0.00 176.35 176.05 2o4l s VAL 77 N -1.40 0.84 -0.52 -1.59 1.01 -0.23 -0.58 120.40 117.92 2o4l s VAL 77 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2o4l s VAL 77 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2o4l s VAL 77 CO 0.21 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2o4l n GLY 78 N 4.29 -0.96 2.11 4.51 0.00 -0.37 -0.73 105.19 114.04 2o4l n GLY 78 Ca -0.19 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 2o4l n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4l n PRO 79 N 0.00 2.38 -2.53 1.61 -0.04 -1.26 -3.70 135.00 131.47 2o4l n PRO 79 Ca 0.00 -1.38 -0.38 0.00 -0.04 0.00 0.00 63.50 61.70 2o4l n PRO 79 Cb 0.00 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.26 2o4l n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4l s THR 80 N 0.87 3.64 -0.25 0.52 -1.32 -1.26 -4.96 115.64 112.88 2o4l s THR 80 Ca 0.67 1.43 0.28 0.00 -1.21 0.00 0.00 61.69 62.86 2o4l s THR 80 Cb 0.30 -3.83 0.32 0.00 -1.51 0.00 0.00 72.50 67.78 2o4l s THR 80 CO -0.03 0.18 1.83 1.55 -2.21 0.00 0.00 174.62 175.93 2o4l h PRO 81 N 3.13 0.00 -3.12 7.08 0.13 -1.98 -3.43 132.00 133.81 2o4l h PRO 81 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2o4l h PRO 81 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 2o4l h PRO 81 CO 0.64 0.00 -0.26 0.54 -0.23 0.00 0.00 178.00 178.70 2o4l s VAL 82 N -3.44 0.07 0.14 1.56 0.11 -1.26 -5.09 120.40 112.49 2o4l s VAL 82 Ca 0.04 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.23 2o4l s VAL 82 Cb 0.09 -0.75 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 2o4l s VAL 82 CO 0.50 -0.30 1.37 0.20 -3.33 0.00 0.00 175.10 173.54 2o4l s ASN 83 N -1.62 6.83 -0.12 3.54 0.01 -1.26 -4.69 114.94 117.64 2o4l s ASN 83 Ca -0.10 2.36 0.01 0.00 -0.71 0.00 0.00 52.86 54.42 2o4l s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2o4l s ASN 83 CO 0.01 -0.62 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.21 2o4l s ILE 84 N 0.78 1.45 -0.31 0.60 1.01 0.29 -0.40 121.20 124.63 2o4l s ILE 84 Ca 0.62 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 2o4l s ILE 84 Cb -0.37 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 2o4l s ILE 84 CO 0.33 0.43 0.57 -0.63 0.00 0.00 0.00 174.94 175.64 2o4l s ILE 85 N 1.21 4.99 0.47 2.92 -1.09 0.36 -1.28 121.20 128.78 2o4l s ILE 85 Ca -0.02 0.72 0.07 0.00 -2.23 0.00 0.00 60.65 59.20 2o4l s ILE 85 Cb -0.14 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 36.87 2o4l s ILE 85 CO -0.05 -0.10 0.62 0.61 -1.23 0.00 0.00 174.94 174.78 2o4l n GLY 86 N 4.52 2.06 0.24 6.18 0.00 -1.21 -1.05 105.19 115.94 2o4l n GLY 86 Ca -0.03 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.85 2o4l n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4l h ARG 87 N 0.00 0.00 -0.18 1.61 3.08 -0.80 -1.23 114.38 116.86 2o4l h ARG 87 Ca -0.23 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.87 2o4l h ARG 87 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2o4l h ARG 87 CO 0.33 0.11 0.14 -2.95 -1.07 0.00 0.00 179.97 176.53 2o4l h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.75 -2.00 115.58 117.80 2o4l h ASN 88 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 2o4l h ASN 88 Cb 0.20 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.40 2o4l h ASN 88 CO 0.01 0.00 -2.02 0.18 0.07 0.00 0.00 177.43 175.68 2o4l n LEU 89 N -4.28 0.00 -0.18 6.14 4.77 -0.75 -4.47 117.00 118.24 2o4l n LEU 89 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2o4l n LEU 89 Cb 0.28 0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.97 2o4l n LEU 89 CO 0.33 0.34 1.21 -0.07 -1.33 0.00 0.00 177.39 177.86 2o4l h LEU 90 N 0.00 0.80 -0.87 2.23 3.38 -0.93 -1.90 115.31 118.03 2o4l h LEU 90 Ca -0.37 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2o4l h LEU 90 Cb 1.82 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 2o4l h LEU 90 CO 0.02 0.60 0.53 0.71 0.09 0.00 0.00 178.44 180.38 2o4l h THR 91 N 0.93 1.24 0.00 0.22 1.35 -1.61 -1.54 112.91 113.51 2o4l h THR 91 Ca 0.25 -0.52 -0.06 0.00 -0.55 0.00 0.00 66.41 65.53 2o4l h THR 91 Cb -0.08 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.35 2o4l h THR 91 CO -0.05 0.25 -0.31 1.56 -0.25 0.00 0.00 175.52 176.72 2o4l h GLN 92 N 1.19 0.00 -0.15 4.72 1.08 -1.57 -1.35 115.11 119.03 2o4l h GLN 92 Ca 0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2o4l h GLN 92 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2o4l h GLN 92 CO -0.06 0.31 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 2o4l n ILE 93 N -3.85 0.18 -1.68 2.54 -5.35 -1.12 -4.94 119.36 105.14 2o4l n ILE 93 Ca -0.01 -0.38 -0.02 0.00 -0.27 0.00 0.00 62.75 62.07 2o4l n ILE 93 Cb 0.39 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.82 2o4l n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4l n GLY 94 N 1.20 0.38 3.69 3.28 0.00 -0.51 -5.01 105.19 108.22 2o4l n GLY 94 Ca 0.17 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2o4l n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4l s THR 96 N 1.98 1.80 -0.07 0.00 -4.23 -1.26 -4.66 115.64 109.19 2o4l s THR 96 Ca 0.54 -2.22 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 2o4l s THR 96 Cb -0.23 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 2o4l s THR 96 CO 0.22 -0.52 0.33 -0.76 -0.54 0.00 0.00 174.62 173.35 2o4l s LEU 97 N -3.36 4.39 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.56 2o4l s LEU 97 Ca 0.25 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2o4l s LEU 97 Cb -0.00 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.80 2o4l s LEU 97 CO 0.09 0.27 -0.01 0.20 0.23 0.00 0.00 176.35 177.13 2o4l s ASN 98 N -0.61 0.43 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.62 2o4l s ASN 98 Ca 0.20 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.45 2o4l s ASN 98 Cb -0.15 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.90 2o4l s ASN 98 CO 0.09 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.78