#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhf s SER 2 N 0.00 -0.13 -0.28 1.61 0.15 -1.26 -5.09 113.70 108.70 1uhf s SER 2 Ca 0.00 0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 1uhf s SER 2 Cb 0.00 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1uhf s SER 2 CO 0.00 -0.12 0.05 -1.20 1.20 0.00 0.00 173.24 173.17 1uhf n SER 3 N 0.69 -6.49 0.00 5.45 7.64 -1.26 -5.06 113.62 114.59 1uhf n SER 3 Ca -0.04 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1uhf n SER 3 Cb 0.58 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 1uhf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhf n GLY 4 N 0.88 3.74 3.63 0.23 0.00 -1.26 -5.13 105.19 107.28 1uhf n GLY 4 Ca -0.08 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1uhf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uhf s SER 5 N 0.00 5.85 -0.15 1.61 0.15 -1.26 -5.05 113.70 114.85 1uhf s SER 5 Ca 0.00 0.07 -0.34 0.00 0.70 0.00 0.00 55.95 56.38 1uhf s SER 5 Cb 0.00 -2.04 0.14 0.00 -1.71 0.00 0.00 66.02 62.41 1uhf s SER 5 CO 0.00 0.09 1.31 -0.94 1.20 0.00 0.00 173.24 174.90 1uhf s SER 6 N 0.89 -0.07 -0.73 5.45 1.04 -1.26 -5.10 113.70 113.92 1uhf s SER 6 Ca 0.06 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.49 1uhf s SER 6 Cb -0.13 0.10 0.18 0.00 0.10 0.00 0.00 66.02 66.27 1uhf s SER 6 CO 0.03 -0.17 0.56 0.61 0.98 0.00 0.00 173.24 175.24 1uhf n GLY 7 N -0.25 4.11 3.53 7.32 0.00 -1.26 -5.04 105.19 113.61 1uhf n GLY 7 Ca -0.02 -2.61 -0.09 0.00 0.00 0.00 0.00 46.02 43.29 1uhf n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uhf s GLY 8 N -1.40 -0.40 -0.22 -0.02 0.00 -1.26 -4.77 107.32 99.25 1uhf s GLY 8 Ca 0.26 1.40 -0.04 0.00 0.00 0.00 0.00 44.72 46.34 1uhf s GLY 8 CO -0.15 0.61 -0.03 -0.54 0.00 0.00 0.00 173.10 172.98 1uhf s GLU 9 N -2.32 3.44 -0.02 2.90 2.02 0.49 -4.91 118.70 120.29 1uhf s GLU 9 Ca 0.02 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.11 1uhf s GLU 9 Cb -0.01 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1uhf s GLU 9 CO -0.04 -0.15 1.09 -1.21 0.02 0.00 0.00 175.26 174.97 1uhf s GLU 10 N 1.38 4.45 0.06 1.61 8.01 -1.26 -0.05 118.70 132.89 1uhf s GLU 10 Ca 0.05 1.56 0.02 0.00 0.01 0.00 0.00 54.97 56.61 1uhf s GLU 10 Cb -0.14 -3.48 -0.03 0.00 -4.31 0.00 0.00 34.13 26.17 1uhf s GLU 10 CO -0.02 -0.26 -0.07 0.71 0.01 0.00 0.00 175.26 175.64 1uhf s TYR 11 N 1.54 0.73 -0.14 1.61 1.51 -0.53 -1.48 117.35 120.57 1uhf s TYR 11 Ca 0.54 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1uhf s TYR 11 Cb -0.23 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1uhf s TYR 11 CO 0.25 -0.11 -0.07 0.42 -1.11 0.00 0.00 175.55 174.92 1uhf s ILE 12 N -2.07 3.59 -0.27 2.71 -1.09 0.16 -1.79 121.20 122.44 1uhf s ILE 12 Ca -0.03 -0.47 -0.29 0.00 -2.23 0.00 0.00 60.65 57.63 1uhf s ILE 12 Cb -0.05 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1uhf s ILE 12 CO -0.01 0.51 1.80 0.00 -1.23 0.00 0.00 174.94 176.00 1uhf s ALA 13 N 0.33 3.00 0.09 9.38 0.00 -0.80 -0.51 121.76 133.26 1uhf s ALA 13 Ca -0.06 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1uhf s ALA 13 Cb -0.15 -3.97 -0.07 0.00 0.00 0.00 0.00 23.12 18.93 1uhf s ALA 13 CO 0.04 -2.41 1.47 -0.07 0.00 0.00 0.00 175.76 174.79 1uhf h LEU 14 N 13.14 0.61 -8.56 0.00 3.38 -1.68 -0.27 115.31 121.93 1uhf h LEU 14 Ca -0.35 -0.39 -0.35 0.00 0.09 0.00 0.00 57.88 56.87 1uhf h LEU 14 Cb 1.17 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.59 1uhf h LEU 14 CO 1.01 0.86 -0.74 -0.31 0.09 0.00 0.00 178.44 179.35 1uhf s TYR 15 N -4.68 1.24 -0.34 1.13 2.02 -1.25 -4.74 117.35 110.73 1uhf s TYR 15 Ca -0.13 -0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 55.63 1uhf s TYR 15 Cb 0.08 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 41.00 1uhf s TYR 15 CO 0.79 0.08 1.37 -1.25 -1.57 0.00 0.00 175.55 174.97 1uhf s PRO 16 N -3.01 3.76 -0.30 -1.71 0.04 -1.26 -3.97 135.00 128.55 1uhf s PRO 16 Ca 0.10 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 1uhf s PRO 16 Cb -0.02 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 1uhf s PRO 16 CO 0.01 -1.32 0.13 -0.47 0.04 0.00 0.00 177.00 175.39 1uhf s TYR 17 N 4.88 3.16 0.09 0.56 5.04 -0.74 -4.85 117.35 125.48 1uhf s TYR 17 Ca 0.59 -0.60 0.08 0.00 -2.44 0.00 0.00 57.07 54.70 1uhf s TYR 17 Cb -0.16 -2.32 -0.04 0.00 0.35 0.00 0.00 41.96 39.79 1uhf s TYR 17 CO 0.27 -0.46 -0.17 -1.54 -1.34 0.00 0.00 175.55 172.32 1uhf s SER 18 N 1.60 3.91 -0.30 4.32 1.04 -1.26 -1.66 113.70 121.35 1uhf s SER 18 Ca 0.05 -0.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 1uhf s SER 18 Cb -0.17 -0.60 0.18 0.00 0.10 0.00 0.00 66.02 65.53 1uhf s SER 18 CO 0.05 0.21 1.24 -0.55 0.98 0.00 0.00 173.24 175.17 1uhf s SER 19 N -1.91 -0.09 -1.20 7.02 0.15 -1.26 -5.04 113.70 111.37 1uhf s SER 19 Ca 0.17 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 1uhf s SER 19 Cb -0.11 1.08 -0.07 0.00 -1.71 0.00 0.00 66.02 65.22 1uhf s SER 19 CO 0.09 -0.02 2.44 1.33 1.20 0.00 0.00 173.24 178.28 1uhf n VAL 20 N 5.25 3.18 -4.93 4.45 0.24 -1.26 -4.73 118.33 120.53 1uhf n VAL 20 Ca -0.09 -1.93 -0.33 0.00 -2.04 0.00 0.00 64.34 59.95 1uhf n VAL 20 Cb 0.55 -2.34 -0.15 0.00 -1.47 0.00 0.00 33.84 30.43 1uhf n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1uhf s GLU 21 N 2.97 3.20 -0.16 7.34 2.02 -1.26 -5.01 118.70 127.81 1uhf s GLU 21 Ca 0.52 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.71 1uhf s GLU 21 Cb 0.13 -2.50 -0.18 0.00 0.10 0.00 0.00 34.13 31.68 1uhf s GLU 21 CO -0.04 0.24 2.80 -0.35 0.02 0.00 0.00 175.26 177.92 1uhf n PRO 22 N 3.42 1.66 0.00 0.39 -0.04 -1.26 -2.72 135.00 136.45 1uhf n PRO 22 Ca -0.18 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1uhf n PRO 22 Cb 0.53 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1uhf n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uhf n GLY 23 N 2.76 0.13 3.70 0.55 0.00 -1.26 -5.12 105.19 105.96 1uhf n GLY 23 Ca 0.36 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1uhf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uhf s ASP 24 N -0.94 7.20 -0.43 1.61 1.11 -1.10 -0.98 116.67 123.14 1uhf s ASP 24 Ca 0.00 1.79 -0.29 0.00 0.18 0.00 0.00 52.55 54.24 1uhf s ASP 24 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1uhf s ASP 24 CO 0.00 -0.41 1.44 -0.22 1.18 0.00 0.00 175.17 177.16 1uhf s LEU 25 N 1.36 3.55 0.03 1.23 2.96 0.40 -4.68 118.68 123.54 1uhf s LEU 25 Ca 0.54 0.76 -0.27 0.00 -0.22 0.00 0.00 54.13 54.95 1uhf s LEU 25 Cb -0.24 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1uhf s LEU 25 CO 0.26 -1.50 0.86 0.42 -1.32 0.00 0.00 176.35 175.08 1uhf s THR 26 N 5.64 4.75 0.37 3.68 -4.23 -1.26 -4.83 115.64 119.76 1uhf s THR 26 Ca 0.61 1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 62.83 1uhf s THR 26 Cb -0.14 -4.21 0.04 0.00 1.34 0.00 0.00 72.50 69.53 1uhf s THR 26 CO 0.32 0.28 0.69 0.72 -0.54 0.00 0.00 174.62 176.09 1uhf s PHE 27 N 0.36 0.39 0.35 3.99 -0.12 -0.66 -5.06 117.98 117.23 1uhf s PHE 27 Ca 0.44 -0.92 0.05 0.00 -0.05 0.00 0.00 56.93 56.45 1uhf s PHE 27 Cb -0.21 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 1uhf s PHE 27 CO 0.25 -1.42 0.02 0.95 -0.05 0.00 0.00 175.22 174.98 1uhf s THR 28 N -2.63 1.57 0.03 -4.49 -4.23 -1.26 -1.80 115.64 102.83 1uhf s THR 28 Ca 0.20 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 1uhf s THR 28 Cb -0.04 -2.84 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 1uhf s THR 28 CO 0.14 -0.03 1.52 -0.70 -0.54 0.00 0.00 174.62 175.01 1uhf s GLU 29 N -3.80 4.24 0.00 3.99 -6.30 -1.25 -2.24 118.70 113.34 1uhf s GLU 29 Ca 0.35 2.15 0.00 0.00 -2.50 0.00 0.00 54.97 54.97 1uhf s GLU 29 Cb 0.09 -3.58 0.00 0.00 0.00 0.00 0.00 34.13 30.63 1uhf s GLU 29 CO 0.16 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1uhf n GLY 30 N 3.82 1.92 3.63 -1.50 0.00 -0.11 -4.90 105.19 108.03 1uhf n GLY 30 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1uhf n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uhf n GLU 31 N -0.24 0.58 -3.46 1.61 -0.58 -0.95 -4.61 120.64 112.99 1uhf n GLU 31 Ca 0.00 0.25 -0.43 0.00 -0.42 0.00 0.00 57.16 56.56 1uhf n GLU 31 Cb 0.00 -2.25 -0.07 0.00 -0.57 0.00 0.00 31.44 28.55 1uhf n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1uhf s GLU 32 N -3.31 2.73 -0.13 3.49 2.02 -1.26 -1.91 118.70 120.33 1uhf s GLU 32 Ca 0.74 -1.64 -0.15 0.00 0.02 0.00 0.00 54.97 53.95 1uhf s GLU 32 Cb -0.35 -4.05 -0.05 0.00 0.10 0.00 0.00 34.13 29.78 1uhf s GLU 32 CO 0.49 -1.18 0.34 0.42 0.02 0.00 0.00 175.26 175.35 1uhf s ILE 33 N 1.49 5.26 -0.45 -1.63 1.01 -0.74 -4.77 121.20 121.37 1uhf s ILE 33 Ca 0.04 0.65 -0.15 0.00 0.00 0.00 0.00 60.65 61.20 1uhf s ILE 33 Cb -0.27 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.59 1uhf s ILE 33 CO 0.02 0.40 0.36 -0.22 0.00 0.00 0.00 174.94 175.50 1uhf s LEU 34 N 0.31 5.46 0.27 2.97 2.96 -0.01 -1.46 118.68 129.18 1uhf s LEU 34 Ca 0.19 -1.24 -0.26 0.00 -0.22 0.00 0.00 54.13 52.60 1uhf s LEU 34 Cb -0.14 -2.16 -0.09 0.00 0.50 0.00 0.00 46.19 44.30 1uhf s LEU 34 CO 0.06 -0.59 0.90 -0.69 -1.32 0.00 0.00 176.35 174.71 1uhf s VAL 35 N 1.63 4.23 0.00 1.68 1.01 0.93 -1.16 120.40 128.72 1uhf s VAL 35 Ca 0.04 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1uhf s VAL 35 Cb -0.23 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1uhf s VAL 35 CO 0.07 0.30 0.00 0.35 0.00 0.00 0.00 175.10 175.82 1uhf n THR 36 N 0.96 0.00 -4.34 3.92 -2.24 -1.05 0.19 114.28 111.72 1uhf n THR 36 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1uhf n THR 36 Cb 0.49 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1uhf n THR 36 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1uhf s GLN 37 N -1.63 3.37 -0.36 -0.78 0.74 -1.22 -4.93 119.66 114.85 1uhf s GLN 37 Ca 0.00 -0.66 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 1uhf s GLN 37 Cb 0.00 -2.80 0.09 0.00 1.10 0.00 0.00 33.01 31.40 1uhf s GLN 37 CO 0.00 0.01 0.11 0.15 -0.55 0.00 0.00 175.29 175.01 1uhf s LYS 38 N 0.89 1.99 -0.38 1.67 1.02 -1.26 0.18 119.74 123.85 1uhf s LYS 38 Ca -0.02 -1.69 -0.03 0.00 0.02 0.00 0.00 55.97 54.25 1uhf s LYS 38 Cb -0.15 -3.37 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 1uhf s LYS 38 CO 0.00 -0.92 0.16 -0.51 -0.92 0.00 0.00 175.35 173.16 1uhf s ASP 39 N 1.44 5.20 0.41 2.83 1.11 -1.17 -4.99 116.67 121.51 1uhf s ASP 39 Ca 0.05 -1.80 0.00 0.00 0.18 0.00 0.00 52.55 50.98 1uhf s ASP 39 Cb -0.21 -1.81 0.00 0.00 1.07 0.00 0.00 42.92 41.97 1uhf s ASP 39 CO -0.04 -0.47 0.00 0.61 1.18 0.00 0.00 175.17 176.45 1uhf n GLY 40 N 4.62 1.25 0.16 0.21 0.00 -1.26 -3.53 105.19 106.65 1uhf n GLY 40 Ca -0.05 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1uhf n GLY 40 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uhf h GLU 41 N 0.00 0.55 -5.92 1.61 4.81 -1.98 -3.43 114.58 110.22 1uhf h GLU 41 Ca 0.00 -0.66 -0.57 0.00 -0.13 0.00 0.00 59.36 58.00 1uhf h GLU 41 Cb 0.00 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1uhf h GLU 41 CO 0.00 1.27 -0.00 -1.58 -0.73 0.00 0.00 179.01 177.97 1uhf s TRP 42 N -3.08 3.55 0.29 0.92 0.52 -1.23 -3.49 118.94 116.43 1uhf s TRP 42 Ca -0.11 1.11 0.09 0.00 0.02 0.00 0.00 56.10 57.21 1uhf s TRP 42 Cb 0.05 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.62 1uhf s TRP 42 CO 0.89 0.12 0.08 -1.58 0.02 0.00 0.00 176.95 176.47 1uhf s TRP 43 N 0.72 2.76 -0.33 -1.98 0.51 -1.07 -3.02 118.94 116.52 1uhf s TRP 43 Ca 0.33 -0.27 -0.19 0.00 -2.12 0.00 0.00 56.10 53.85 1uhf s TRP 43 Cb -0.17 -1.39 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 1uhf s TRP 43 CO 0.15 0.50 0.57 0.99 -0.51 0.00 0.00 176.95 178.65 1uhf s THR 44 N -2.34 4.97 0.36 2.01 2.01 0.49 -2.01 115.64 121.13 1uhf s THR 44 Ca 0.34 0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.96 1uhf s THR 44 Cb -0.05 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1uhf s THR 44 CO 0.22 -0.20 0.36 -0.83 -0.69 0.00 0.00 174.62 173.48 1uhf s GLY 45 N 1.73 1.83 0.04 4.40 0.00 -0.73 -2.53 107.32 112.06 1uhf s GLY 45 Ca 0.22 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1uhf s GLY 45 CO 0.13 -1.56 -0.05 -0.56 0.00 0.00 0.00 173.10 171.06 1uhf s SER 46 N -4.08 0.58 -0.17 1.64 0.01 -0.31 -2.75 113.70 108.63 1uhf s SER 46 Ca 0.44 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 1uhf s SER 46 Cb -0.06 0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.33 1uhf s SER 46 CO 0.28 -0.36 0.08 -0.63 0.41 0.00 0.00 173.24 173.02 1uhf s ILE 47 N -2.27 0.06 0.00 1.44 1.01 -1.12 -0.83 121.20 119.49 1uhf s ILE 47 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1uhf s ILE 47 Cb -0.04 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1uhf s ILE 47 CO -0.03 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1uhf n GLY 48 N 5.22 0.46 0.89 6.18 0.00 -1.26 -0.95 105.19 115.73 1uhf n GLY 48 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1uhf n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uhf n ASP 49 N 1.33 -0.79 -4.77 1.61 2.03 -1.26 -5.14 116.55 109.56 1uhf n ASP 49 Ca 0.00 -1.72 -0.23 0.00 0.52 0.00 0.00 54.79 53.36 1uhf n ASP 49 Cb 0.00 0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1uhf n ASP 49 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1uhf s ARG 50 N 0.00 2.39 0.14 -0.67 0.52 -0.12 -5.15 118.95 116.06 1uhf s ARG 50 Ca 0.00 -1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 53.54 1uhf s ARG 50 Cb 0.00 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 1uhf s ARG 50 CO 0.00 -0.02 0.18 0.45 0.02 0.00 0.00 175.30 175.94 1uhf s SER 51 N -3.93 0.16 0.00 0.23 0.15 -1.26 -2.80 113.70 106.25 1uhf s SER 51 Ca 0.41 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1uhf s SER 51 Cb -0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1uhf s SER 51 CO 0.24 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1uhf n GLY 52 N -0.14 -1.53 3.77 9.45 0.00 -1.11 -4.52 105.19 111.12 1uhf n GLY 52 Ca -0.08 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1uhf n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uhf s ILE 53 N -2.41 4.19 0.15 -0.61 -4.36 -0.15 -1.78 121.20 116.24 1uhf s ILE 53 Ca 0.00 -1.49 -0.24 0.00 -0.26 0.00 0.00 60.65 58.67 1uhf s ILE 53 Cb 0.00 -3.24 0.07 0.00 1.25 0.00 0.00 42.46 40.54 1uhf s ILE 53 CO 0.00 -0.32 0.68 0.72 0.24 0.00 0.00 174.94 176.26 1uhf s PHE 54 N -2.12 -0.44 -0.17 1.37 -0.12 -0.85 -0.45 117.98 115.20 1uhf s PHE 54 Ca 0.32 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 57.10 1uhf s PHE 54 Cb -0.08 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1uhf s PHE 54 CO 0.23 -0.87 1.28 -1.25 -0.05 0.00 0.00 175.22 174.56 1uhf s PRO 55 N -3.66 4.22 0.00 1.99 0.04 -1.26 -2.58 135.00 133.74 1uhf s PRO 55 Ca 0.04 1.66 0.12 0.00 0.04 0.00 0.00 61.00 62.87 1uhf s PRO 55 Cb -0.02 -3.78 0.58 0.00 0.04 0.00 0.00 34.50 31.32 1uhf s PRO 55 CO -0.09 -0.73 1.36 -1.13 0.04 0.00 0.00 177.00 176.46 1uhf n SER 56 N 6.67 0.00 -0.77 6.66 3.41 -1.23 -0.83 113.62 127.53 1uhf n SER 56 Ca 0.14 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1uhf n SER 56 Cb 0.45 -0.40 0.31 0.00 -0.26 0.00 0.00 64.21 64.31 1uhf n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uhf n ASN 57 N -1.40 2.33 -0.06 4.04 5.15 -1.26 -3.74 115.26 120.32 1uhf n ASN 57 Ca 0.04 -1.80 0.08 0.00 -0.60 0.00 0.00 54.58 52.30 1uhf n ASN 57 Cb 0.12 -0.12 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 1uhf n ASN 57 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1uhf n TYR 58 N 0.77 0.00 -4.03 1.20 4.02 -0.01 -5.00 117.16 114.12 1uhf n TYR 58 Ca 0.17 -0.89 -0.14 0.00 -0.01 0.00 0.00 57.90 57.03 1uhf n TYR 58 Cb 0.45 -0.13 -0.14 0.00 -0.02 0.00 0.00 39.34 39.50 1uhf n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1uhf s VAL 59 N -2.47 0.25 0.20 -0.72 -7.23 -1.24 -1.73 120.40 107.46 1uhf s VAL 59 Ca 0.25 -0.29 0.10 0.00 -1.81 0.00 0.00 61.98 60.23 1uhf s VAL 59 Cb 0.22 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.87 1uhf s VAL 59 CO 0.02 -0.03 -0.15 -1.59 -0.31 0.00 0.00 175.10 173.05 1uhf s LYS 60 N -0.34 1.86 -0.27 4.82 -2.85 0.34 -4.89 119.74 118.40 1uhf s LYS 60 Ca -0.01 -1.41 -0.29 0.00 -1.00 0.00 0.00 55.97 53.25 1uhf s LYS 60 Cb -0.03 -2.02 -0.00 0.00 -2.06 0.00 0.00 37.83 33.72 1uhf s LYS 60 CO -0.00 0.41 1.34 -1.25 0.10 0.00 0.00 175.35 175.94 1uhf s PRO 61 N -2.90 3.94 -0.78 1.78 0.04 -1.26 0.36 135.00 136.17 1uhf s PRO 61 Ca 0.24 1.34 -0.25 0.00 0.04 0.00 0.00 61.00 62.38 1uhf s PRO 61 Cb -0.08 -3.89 -0.17 0.00 0.04 0.00 0.00 34.50 30.40 1uhf s PRO 61 CO 0.14 -1.10 2.46 1.17 0.04 0.00 0.00 177.00 179.71 1uhf n LYS 62 N 7.28 0.47 0.00 4.56 4.81 -0.55 -4.57 118.16 130.16 1uhf n LYS 62 Ca 0.15 -0.16 -0.04 0.00 -0.87 0.00 0.00 58.31 57.39 1uhf n LYS 62 Cb 0.46 -2.52 -0.01 0.00 0.02 0.00 0.00 35.03 32.98 1uhf n LYS 62 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1uhf n ASP 63 N 13.20 1.00 -4.55 3.14 -0.08 -1.26 -4.17 116.55 123.82 1uhf n ASP 63 Ca 0.53 0.15 -0.39 0.00 -1.51 0.00 0.00 54.79 53.56 1uhf n ASP 63 Cb 0.31 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.39 1uhf n ASP 63 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1uhf s SER 64 N -5.83 5.42 -0.38 1.67 0.15 -1.26 -4.92 113.70 108.54 1uhf s SER 64 Ca -0.07 0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.96 1uhf s SER 64 Cb 0.02 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.90 1uhf s SER 64 CO 0.10 -2.26 0.11 -0.83 1.20 0.00 0.00 173.24 171.56 1uhf s GLY 65 N 7.48 1.89 -0.94 9.45 0.00 -1.26 -5.05 107.32 118.88 1uhf s GLY 65 Ca 0.65 -2.56 -0.24 0.00 0.00 0.00 0.00 44.72 42.57 1uhf s GLY 65 CO 0.21 1.10 1.68 2.56 0.00 0.00 0.00 173.10 178.65 1uhf s PRO 66 N 0.74 3.08 0.04 2.90 0.04 -1.26 -4.92 135.00 135.61 1uhf s PRO 66 Ca 0.12 -0.66 0.01 0.00 0.04 0.00 0.00 61.00 60.51 1uhf s PRO 66 Cb -0.20 -5.15 -0.03 0.00 0.04 0.00 0.00 34.50 29.16 1uhf s PRO 66 CO -0.08 -2.75 -0.05 0.45 0.04 0.00 0.00 177.00 174.61 1uhf s SER 67 N 6.42 0.52 -0.30 6.66 0.15 -1.26 -5.14 113.70 120.74 1uhf s SER 67 Ca 0.57 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 56.50 1uhf s SER 67 Cb -0.04 0.10 0.16 0.00 -1.71 0.00 0.00 66.02 64.53 1uhf s SER 67 CO -0.04 -0.33 0.84 -0.94 1.20 0.00 0.00 173.24 173.97 1uhf s SER 68 N -1.82 -0.87 0.00 5.45 1.04 -1.26 -5.30 113.70 110.94 1uhf s SER 68 Ca -0.09 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1uhf s SER 68 Cb -0.06 1.87 0.00 0.00 0.10 0.00 0.00 66.02 67.93 1uhf s SER 68 CO -0.02 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.64