#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhf n SER 2 N 0.00 0.00 -4.03 1.61 2.88 -1.26 -4.72 113.62 108.10 1uhf n SER 2 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1uhf n SER 2 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1uhf n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhf s SER 3 N 0.00 1.21 0.00 -3.46 0.15 -1.26 -5.14 113.70 105.21 1uhf s SER 3 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1uhf s SER 3 Cb 0.00 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1uhf s SER 3 CO 0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1uhf n GLY 4 N 3.03 0.81 3.13 9.45 0.00 -1.26 -4.92 105.19 115.43 1uhf n GLY 4 Ca -0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 1uhf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uhf n SER 5 N 0.00 -6.76 0.09 1.61 3.41 -1.26 -4.95 113.62 105.76 1uhf n SER 5 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1uhf n SER 5 Cb 0.00 -2.33 0.00 0.00 -0.26 0.00 0.00 64.21 61.62 1uhf n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uhf n SER 6 N 1.02 -0.57 0.00 4.04 7.64 -1.26 -5.10 113.62 119.39 1uhf n SER 6 Ca -0.01 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1uhf n SER 6 Cb 0.43 0.68 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1uhf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhf n GLY 7 N 0.85 2.43 0.98 0.23 0.00 -1.26 -5.07 105.19 103.34 1uhf n GLY 7 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1uhf n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhf n GLY 8 N 0.00 -3.71 3.35 -0.02 0.00 -1.26 -4.93 105.19 98.62 1uhf n GLY 8 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1uhf n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uhf s GLU 9 N -4.78 3.44 0.01 1.61 2.02 0.50 -4.93 118.70 116.57 1uhf s GLU 9 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 1uhf s GLU 9 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1uhf s GLU 9 CO 0.00 -0.10 1.10 -1.21 0.02 0.00 0.00 175.26 175.06 1uhf s GLU 10 N 1.24 4.47 0.05 1.61 8.01 -1.26 -0.58 118.70 132.25 1uhf s GLU 10 Ca 0.03 1.59 0.04 0.00 0.01 0.00 0.00 54.97 56.64 1uhf s GLU 10 Cb -0.14 -3.43 -0.03 0.00 -4.31 0.00 0.00 34.13 26.22 1uhf s GLU 10 CO -0.01 -0.20 -0.11 0.71 0.01 0.00 0.00 175.26 175.66 1uhf s TYR 11 N 1.24 0.93 -0.17 1.61 1.51 0.73 -1.26 117.35 121.93 1uhf s TYR 11 Ca 0.55 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 56.06 1uhf s TYR 11 Cb -0.25 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1uhf s TYR 11 CO 0.27 -0.02 0.08 0.42 -1.11 0.00 0.00 175.55 175.19 1uhf s ILE 12 N -1.30 4.96 -0.23 2.71 -1.09 0.39 -0.65 121.20 125.99 1uhf s ILE 12 Ca -0.06 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1uhf s ILE 12 Cb -0.10 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1uhf s ILE 12 CO 0.01 0.48 1.82 0.00 -1.23 0.00 0.00 174.94 176.02 1uhf s ALA 13 N 0.16 3.07 -0.04 9.38 0.00 -0.41 0.23 121.76 134.13 1uhf s ALA 13 Ca 0.06 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 1uhf s ALA 13 Cb -0.12 -3.95 -0.21 0.00 0.00 0.00 0.00 23.12 18.84 1uhf s ALA 13 CO 0.00 -2.29 1.14 -0.07 0.00 0.00 0.00 175.76 174.54 1uhf h LEU 14 N 12.87 0.08 -8.54 0.00 3.38 -0.99 0.15 115.31 122.27 1uhf h LEU 14 Ca -0.37 -0.63 -0.42 0.00 0.09 0.00 0.00 57.88 56.56 1uhf h LEU 14 Cb 1.18 -0.02 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 1uhf h LEU 14 CO 1.00 0.70 -0.77 -0.31 0.09 0.00 0.00 178.44 179.15 1uhf s TYR 15 N -3.70 1.34 -0.25 1.13 1.51 -1.22 -4.67 117.35 111.49 1uhf s TYR 15 Ca -0.16 -0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 55.08 1uhf s TYR 15 Cb 0.01 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 1uhf s TYR 15 CO 0.70 0.11 1.32 -1.25 -1.11 0.00 0.00 175.55 175.32 1uhf s PRO 16 N -2.34 3.99 -0.27 -1.71 0.04 -1.26 -4.20 135.00 129.25 1uhf s PRO 16 Ca 0.05 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 1uhf s PRO 16 Cb -0.07 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1uhf s PRO 16 CO 0.03 -1.02 0.05 -0.47 0.04 0.00 0.00 177.00 175.62 1uhf s TYR 17 N 4.22 3.10 -0.11 0.56 5.04 -0.55 -4.90 117.35 124.71 1uhf s TYR 17 Ca 0.57 -0.90 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 1uhf s TYR 17 Cb -0.19 -2.22 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 1uhf s TYR 17 CO 0.21 -0.54 -0.02 -1.54 -1.34 0.00 0.00 175.55 172.32 1uhf s SER 18 N 1.51 4.99 0.13 4.32 1.04 -1.26 -2.76 113.70 121.67 1uhf s SER 18 Ca 0.04 0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.57 1uhf s SER 18 Cb -0.16 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 1uhf s SER 18 CO 0.01 0.30 -0.19 -0.55 0.98 0.00 0.00 173.24 173.79 1uhf s SER 19 N -0.42 2.56 0.12 7.02 0.15 -1.26 -5.02 113.70 116.84 1uhf s SER 19 Ca 0.07 -0.77 0.24 0.00 0.70 0.00 0.00 55.95 56.19 1uhf s SER 19 Cb -0.12 -0.14 0.24 0.00 -1.71 0.00 0.00 66.02 64.29 1uhf s SER 19 CO 0.02 0.01 1.22 -0.37 1.20 0.00 0.00 173.24 175.32 1uhf h VAL 20 N 3.70 0.00 -2.85 4.45 -1.51 -1.99 -3.46 116.25 114.59 1uhf h VAL 20 Ca -0.44 -0.55 -0.66 0.00 -1.23 0.00 0.00 66.70 63.82 1uhf h VAL 20 Cb 1.19 1.06 -0.09 0.00 -2.13 0.00 0.00 31.29 31.32 1uhf h VAL 20 CO 0.45 0.00 -0.51 -1.61 -1.23 0.00 0.00 177.57 174.67 1uhf s GLU 21 N -3.20 3.50 0.00 5.19 2.02 -1.26 -4.97 118.70 119.98 1uhf s GLU 21 Ca 0.05 -0.19 0.23 0.00 0.02 0.00 0.00 54.97 55.08 1uhf s GLU 21 Cb 0.13 -3.16 1.37 0.00 0.10 0.00 0.00 34.13 32.57 1uhf s GLU 21 CO 0.75 0.68 1.75 -0.35 0.02 0.00 0.00 175.26 178.11 1uhf n PRO 22 N 2.28 0.75 0.02 0.39 -0.04 -1.26 -3.08 135.00 134.06 1uhf n PRO 22 Ca -0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.07 1uhf n PRO 22 Cb 0.54 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1uhf n PRO 22 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1uhf h GLY 23 N 3.77 0.27 -4.14 0.55 0.00 -1.93 -3.45 103.07 98.15 1uhf h GLY 23 Ca 0.00 -0.68 -0.52 0.00 0.00 0.00 0.00 47.33 46.13 1uhf h GLY 23 CO 0.00 0.60 0.43 -0.35 0.00 0.00 0.00 176.54 177.22 1uhf s ASP 24 N -6.86 7.35 0.14 0.19 2.15 -1.18 -2.73 116.67 115.73 1uhf s ASP 24 Ca -0.16 1.95 -0.31 0.00 0.43 0.00 0.00 52.55 54.45 1uhf s ASP 24 Cb 0.01 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.94 1uhf s ASP 24 CO 0.79 -0.18 1.50 -0.22 -0.17 0.00 0.00 175.17 176.89 1uhf s LEU 25 N -0.04 4.37 -0.15 -1.34 2.96 0.50 -4.66 118.68 120.31 1uhf s LEU 25 Ca 0.49 2.51 -0.03 0.00 -0.22 0.00 0.00 54.13 56.88 1uhf s LEU 25 Cb -0.27 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 1uhf s LEU 25 CO 0.32 -0.76 -0.07 0.42 -1.32 0.00 0.00 176.35 174.94 1uhf s THR 26 N 1.16 3.63 0.28 3.68 -4.23 -1.26 -4.70 115.64 114.20 1uhf s THR 26 Ca 0.68 -0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 1uhf s THR 26 Cb -0.41 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 70.86 1uhf s THR 26 CO 0.31 0.50 0.56 0.72 -0.54 0.00 0.00 174.62 176.17 1uhf s PHE 27 N 0.35 0.31 0.35 3.99 -0.12 -1.11 -5.05 117.98 116.69 1uhf s PHE 27 Ca -0.06 -0.71 0.09 0.00 -0.05 0.00 0.00 56.93 56.19 1uhf s PHE 27 Cb -0.15 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.52 1uhf s PHE 27 CO 0.04 -1.12 0.01 0.95 -0.05 0.00 0.00 175.22 175.04 1uhf s THR 28 N -3.69 2.51 0.08 -4.49 -4.23 -1.26 -1.49 115.64 103.07 1uhf s THR 28 Ca 0.20 -1.99 -0.31 0.00 -1.18 0.00 0.00 61.69 58.42 1uhf s THR 28 Cb -0.02 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.93 1uhf s THR 28 CO 0.10 -0.18 1.75 -0.70 -0.54 0.00 0.00 174.62 175.06 1uhf s GLU 29 N -3.71 4.17 0.00 3.99 -6.30 -1.26 -1.91 118.70 113.68 1uhf s GLU 29 Ca 0.35 2.45 0.00 0.00 -2.50 0.00 0.00 54.97 55.27 1uhf s GLU 29 Cb 0.01 -3.66 0.00 0.00 0.00 0.00 0.00 34.13 30.48 1uhf s GLU 29 CO 0.19 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 175.08 1uhf n GLY 30 N 4.14 1.68 3.45 -1.50 0.00 0.52 -4.93 105.19 108.56 1uhf n GLY 30 Ca 0.17 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.23 -3.61 1.61 -0.58 -0.80 -4.54 120.64 112.48 1uhf n GLU 31 Ca 0.00 -0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.32 1uhf n GLU 31 Cb 0.00 -1.92 -0.10 0.00 -0.57 0.00 0.00 31.44 28.85 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 -3.66 2.54 -0.17 3.49 2.02 -1.26 -1.29 118.70 120.37 1uhf s GLU 32 Ca 0.59 -1.54 -0.15 0.00 0.02 0.00 0.00 54.97 53.89 1uhf s GLU 32 Cb -0.23 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 1uhf s GLU 32 CO 0.65 -1.00 0.35 0.42 0.02 0.00 0.00 175.26 175.69 1uhf s ILE 33 N 1.39 5.26 -0.48 -1.63 1.01 0.18 -4.66 121.20 122.28 1uhf s ILE 33 Ca 0.04 0.64 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 1uhf s ILE 33 Cb -0.24 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.66 1uhf s ILE 33 CO 0.01 0.33 0.37 -0.22 0.00 0.00 0.00 174.94 175.44 1uhf s LEU 34 N 0.79 5.68 0.05 2.97 2.96 0.18 -0.19 118.68 131.12 1uhf s LEU 34 Ca 0.18 -1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 52.13 1uhf s LEU 34 Cb -0.14 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1uhf s LEU 34 CO 0.06 -0.69 0.93 -0.69 -1.32 0.00 0.00 176.35 174.64 1uhf s VAL 35 N 1.49 4.69 -0.00 1.68 1.01 0.26 -0.33 120.40 129.20 1uhf s VAL 35 Ca 0.04 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1uhf s VAL 35 Cb -0.26 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.84 1uhf s VAL 35 CO 0.02 0.26 -0.00 0.35 0.00 0.00 0.00 175.10 175.73 1uhf n THR 36 N 3.25 0.02 -4.28 3.92 -2.24 -0.71 0.19 114.28 114.43 1uhf n THR 36 Ca 0.03 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 1uhf n THR 36 Cb 0.50 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 1uhf n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1uhf s GLN 37 N -2.01 2.81 -0.47 -0.78 -0.21 -1.23 -4.75 119.66 113.02 1uhf s GLN 37 Ca -0.01 -0.77 -0.12 0.00 0.02 0.00 0.00 55.36 54.49 1uhf s GLN 37 Cb 0.00 -2.39 0.10 0.00 1.00 0.00 0.00 33.01 31.71 1uhf s GLN 37 CO 0.01 -0.15 0.36 0.15 -2.12 0.00 0.00 175.29 173.54 1uhf s LYS 38 N 1.17 2.74 -0.51 2.91 1.02 -1.26 0.20 119.74 126.02 1uhf s LYS 38 Ca 0.01 -1.54 -0.17 0.00 0.02 0.00 0.00 55.97 54.29 1uhf s LYS 38 Cb -0.14 -4.00 0.09 0.00 -0.52 0.00 0.00 37.83 33.26 1uhf s LYS 38 CO -0.09 -1.09 0.51 0.34 -0.92 0.00 0.00 175.35 174.09 1uhf s ASP 39 N 2.63 6.18 1.17 2.83 2.15 -0.87 -4.94 116.67 125.82 1uhf s ASP 39 Ca 0.04 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.66 1uhf s ASP 39 Cb -0.25 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1uhf s ASP 39 CO 0.03 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 1uhf n GLY 40 N 5.22 1.49 0.12 2.66 0.00 -1.26 -0.72 105.19 112.69 1uhf n GLY 40 Ca -0.11 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 1uhf n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uhf n GLU 41 N 0.00 0.68 -2.88 1.61 -0.58 -1.26 -4.79 120.64 113.42 1uhf n GLU 41 Ca 0.00 0.16 -0.43 0.00 -0.42 0.00 0.00 57.16 56.47 1uhf n GLU 41 Cb 0.00 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.22 1uhf n GLU 41 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1uhf s TRP 42 N -2.53 2.89 0.24 -0.32 0.52 0.10 -3.00 118.94 116.84 1uhf s TRP 42 Ca -0.21 0.11 -0.03 0.00 0.02 0.00 0.00 56.10 56.00 1uhf s TRP 42 Cb 0.07 -3.91 -0.05 0.00 -1.15 0.00 0.00 33.47 28.44 1uhf s TRP 42 CO 0.74 -1.17 0.46 -1.58 0.02 0.00 0.00 176.95 175.42 1uhf s TRP 43 N 3.66 3.48 -0.34 -1.98 0.51 -1.11 -2.05 118.94 121.11 1uhf s TRP 43 Ca 0.31 0.48 -0.17 0.00 -2.12 0.00 0.00 56.10 54.61 1uhf s TRP 43 Cb -0.12 -1.97 -0.01 0.00 -0.81 0.00 0.00 33.47 30.56 1uhf s TRP 43 CO 0.22 0.29 0.44 0.99 -0.51 0.00 0.00 176.95 178.38 1uhf s THR 44 N -1.96 5.09 0.42 2.01 2.01 0.53 -2.17 115.64 121.57 1uhf s THR 44 Ca 0.41 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.74 1uhf s THR 44 Cb -0.11 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1uhf s THR 44 CO 0.29 -0.13 0.57 -0.83 -0.69 0.00 0.00 174.62 173.83 1uhf s GLY 45 N 1.73 1.93 -0.06 4.40 0.00 -0.83 -1.75 107.32 112.74 1uhf s GLY 45 Ca 0.16 -1.65 -0.14 0.00 0.00 0.00 0.00 44.72 43.08 1uhf s GLY 45 CO 0.12 -1.48 0.33 -0.45 0.00 0.00 0.00 173.10 171.63 1uhf s SER 46 N -4.34 -0.27 -0.17 1.64 0.15 0.55 -3.17 113.70 108.09 1uhf s SER 46 Ca 0.54 0.35 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 1uhf s SER 46 Cb -0.10 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.75 1uhf s SER 46 CO 0.33 -0.32 0.07 -0.63 1.20 0.00 0.00 173.24 173.89 1uhf s ILE 47 N -0.72 0.08 0.00 6.45 1.01 -1.09 0.49 121.20 127.42 1uhf s ILE 47 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1uhf s ILE 47 Cb -0.04 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1uhf s ILE 47 CO 0.03 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1uhf n GLY 48 N 5.22 0.34 0.45 6.18 0.00 -1.26 0.46 105.19 116.59 1uhf n GLY 48 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 1.15 0.00 -4.93 1.61 -0.08 -1.26 -5.10 116.55 107.94 1uhf n ASP 49 Ca 0.00 -1.76 -0.26 0.00 -1.51 0.00 0.00 54.79 51.26 1uhf n ASP 49 Cb 0.00 -0.15 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 1uhf n ASP 49 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1uhf s ARG 50 N 0.00 3.51 -0.10 -0.67 0.52 0.17 -5.11 118.95 117.27 1uhf s ARG 50 Ca 0.00 -0.39 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 1uhf s ARG 50 Cb 0.00 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1uhf s ARG 50 CO 0.00 0.37 0.25 -1.54 0.02 0.00 0.00 175.30 174.41 1uhf s SER 51 N -3.36 -0.26 0.00 0.23 1.04 -1.26 -2.66 113.70 107.43 1uhf s SER 51 Ca 0.38 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1uhf s SER 51 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1uhf s SER 51 CO 0.30 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1uhf n GLY 52 N 3.03 -0.51 3.90 7.32 0.00 -1.19 -4.71 105.19 113.03 1uhf n GLY 52 Ca -0.14 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 5.06 0.16 -0.61 -4.36 -1.11 -1.97 121.20 116.38 1uhf s ILE 53 Ca 0.00 -0.81 -0.16 0.00 -0.26 0.00 0.00 60.65 59.42 1uhf s ILE 53 Cb 0.00 -3.60 0.03 0.00 1.25 0.00 0.00 42.46 40.14 1uhf s ILE 53 CO 0.00 -0.09 0.45 0.72 0.24 0.00 0.00 174.94 176.25 1uhf s PHE 54 N -1.74 -0.11 -0.19 1.37 -0.71 -0.92 0.19 117.98 115.86 1uhf s PHE 54 Ca 0.33 -0.22 -0.29 0.00 -1.04 0.00 0.00 56.93 55.71 1uhf s PHE 54 Cb -0.11 0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1uhf s PHE 54 CO 0.27 -0.80 1.29 -1.25 -1.34 0.00 0.00 175.22 173.39 1uhf s PRO 55 N -3.85 4.15 -0.88 1.99 0.04 -1.26 -2.77 135.00 132.42 1uhf s PRO 55 Ca 0.07 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 1uhf s PRO 55 Cb 0.01 -3.80 -0.08 0.00 0.04 0.00 0.00 34.50 30.67 1uhf s PRO 55 CO -0.07 -0.81 2.32 -1.13 0.04 0.00 0.00 177.00 177.35 1uhf n SER 56 N 6.89 5.33 0.00 6.66 3.41 -1.16 -2.94 113.62 131.81 1uhf n SER 56 Ca 0.14 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1uhf n SER 56 Cb 0.45 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 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 3.85 0.00 -1.78 4.04 5.15 -1.26 -4.86 115.26 120.40 1uhf n ASN 57 Ca 0.47 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.35 1uhf n ASN 57 Cb 0.22 0.02 0.01 0.00 -0.53 0.00 0.00 39.78 39.51 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 -2.07 0.94 -3.80 1.20 4.01 -1.15 -4.79 117.16 111.51 1uhf n TYR 58 Ca 0.00 -1.61 -0.13 0.00 -0.16 0.00 0.00 57.90 56.01 1uhf n TYR 58 Cb 0.00 -0.83 -0.12 0.00 -0.31 0.00 0.00 39.34 38.08 1uhf n TYR 58 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1uhf s VAL 59 N -1.37 0.00 0.21 -0.72 -7.23 -1.26 -0.30 120.40 109.73 1uhf s VAL 59 Ca 0.22 -0.03 0.11 0.00 -1.81 0.00 0.00 61.98 60.47 1uhf s VAL 59 Cb 0.16 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.72 1uhf s VAL 59 CO -0.01 -0.02 -0.22 -1.59 -0.31 0.00 0.00 175.10 172.95 1uhf s LYS 60 N 0.04 1.52 -0.26 4.82 -2.85 0.13 -4.85 119.74 118.31 1uhf s LYS 60 Ca -0.01 -1.57 -0.29 0.00 -1.00 0.00 0.00 55.97 53.10 1uhf s LYS 60 Cb -0.02 -1.74 -0.01 0.00 -2.06 0.00 0.00 37.83 34.00 1uhf s LYS 60 CO 0.00 0.36 1.33 -1.25 0.10 0.00 0.00 175.35 175.89 1uhf s PRO 61 N -2.92 3.98 -0.69 1.78 0.04 -1.26 0.15 135.00 136.07 1uhf s PRO 61 Ca 0.22 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1uhf s PRO 61 Cb -0.07 -3.87 -0.13 0.00 0.04 0.00 0.00 34.50 30.47 1uhf s PRO 61 CO 0.11 -1.04 2.47 1.17 0.04 0.00 0.00 177.00 179.75 1uhf n LYS 62 N 7.19 0.64 0.02 4.56 4.81 -0.39 -4.47 118.16 130.52 1uhf n LYS 62 Ca 0.15 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1uhf n LYS 62 Cb 0.46 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 14.34 0.10 0.20 3.14 -0.08 -1.26 -4.86 116.55 128.13 1uhf n ASP 63 Ca 0.48 0.05 -0.15 0.00 -1.51 0.00 0.00 54.79 53.65 1uhf n ASP 63 Cb 0.38 -0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.76 1uhf n ASP 63 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1uhf h SER 64 N 0.00 -1.09 -2.63 1.67 0.02 -2.02 -3.39 113.55 106.12 1uhf h SER 64 Ca 0.00 0.10 -0.56 0.00 -0.84 0.00 0.00 61.79 60.49 1uhf h SER 64 Cb 0.49 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1uhf h SER 64 CO 0.00 -0.51 1.17 -0.83 -1.14 0.00 0.00 176.83 175.52 1uhf s GLY 65 N -2.29 1.21 -0.21 -3.77 0.00 -1.26 -4.94 107.32 96.06 1uhf s GLY 65 Ca -0.17 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 44.91 1uhf s GLY 65 CO 0.63 3.14 1.30 2.56 0.00 0.00 0.00 173.10 180.73 1uhf s PRO 66 N 4.73 4.11 -0.19 2.90 0.04 -1.26 -4.99 135.00 140.34 1uhf s PRO 66 Ca 0.76 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 1uhf s PRO 66 Cb -0.29 -3.82 0.07 0.00 0.04 0.00 0.00 34.50 30.50 1uhf s PRO 66 CO 0.31 -0.87 0.09 -1.12 0.04 0.00 0.00 177.00 175.45 1uhf s SER 67 N 2.38 2.56 -0.13 6.66 0.01 -1.26 -5.00 113.70 118.92 1uhf s SER 67 Ca 0.56 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 57.01 1uhf s SER 67 Cb -0.20 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.77 1uhf s SER 67 CO 0.18 -0.36 0.18 -0.24 0.41 0.00 0.00 173.24 173.41 1uhf n SER 68 N 5.25 -2.56 0.00 2.44 2.88 -1.26 -5.18 113.62 115.19 1uhf n SER 68 Ca -0.07 1.30 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 1uhf n SER 68 Cb 0.48 -4.35 0.82 0.00 -0.75 0.00 0.00 64.21 60.41 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42