#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 0.72 -2.98 1.61 2.88 -1.26 -5.10 113.62 109.49 1uhf n SER 2 Ca 0.00 0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1uhf n SER 2 Cb 0.00 -0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.32 1uhf n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhf n SER 3 N -3.40 -7.41 -1.67 -3.46 2.88 -1.26 -5.04 113.62 94.26 1uhf n SER 3 Ca 0.00 0.54 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1uhf n SER 3 Cb 0.07 -4.43 -0.02 0.00 -0.75 0.00 0.00 64.21 59.08 1uhf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhf n GLY 4 N -0.03 3.24 3.47 0.46 0.00 -1.26 -5.19 105.19 105.89 1uhf n GLY 4 Ca 0.05 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.71 2.72 -0.22 1.61 0.15 -1.26 -5.13 113.70 109.86 1uhf s SER 5 Ca 0.11 -1.34 -0.13 0.00 0.70 0.00 0.00 55.95 55.29 1uhf s SER 5 Cb 0.00 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1uhf s SER 5 CO 0.08 -0.52 0.27 -0.44 1.20 0.00 0.00 173.24 173.82 1uhf s SER 6 N -3.52 6.27 0.00 5.45 0.01 -1.26 -4.93 113.70 115.73 1uhf s SER 6 Ca 0.35 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1uhf s SER 6 Cb 0.08 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1uhf s SER 6 CO 0.15 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1uhf n GLY 7 N 4.07 -1.84 3.55 3.44 0.00 -1.26 -5.18 105.19 107.97 1uhf n GLY 7 Ca -0.12 0.83 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 -0.34 -0.17 -0.02 0.00 -1.26 -4.67 107.32 100.85 1uhf s GLY 8 Ca 0.00 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.29 1uhf s GLY 8 CO 0.00 0.65 -0.20 -0.54 0.00 0.00 0.00 173.10 173.01 1uhf s GLU 9 N -2.18 2.97 0.31 2.90 2.02 0.45 -4.95 118.70 120.21 1uhf s GLU 9 Ca 0.03 -0.82 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 1uhf s GLU 9 Cb -0.01 -2.52 -0.10 0.00 0.10 0.00 0.00 34.13 31.60 1uhf s GLU 9 CO -0.04 -0.17 1.15 -1.21 0.02 0.00 0.00 175.26 175.00 1uhf s GLU 10 N 1.21 4.51 0.01 1.61 8.01 -1.26 -0.72 118.70 132.07 1uhf s GLU 10 Ca 0.03 1.88 -0.01 0.00 0.01 0.00 0.00 54.97 56.89 1uhf s GLU 10 Cb -0.13 -3.09 -0.01 0.00 -4.31 0.00 0.00 34.13 26.58 1uhf s GLU 10 CO -0.11 0.07 -0.00 0.71 0.01 0.00 0.00 175.26 175.94 1uhf s TYR 11 N -1.20 0.13 -0.18 1.61 2.02 0.14 -2.17 117.35 117.69 1uhf s TYR 11 Ca 0.47 -0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.82 1uhf s TYR 11 Cb -0.33 -0.10 -0.05 0.00 -0.40 0.00 0.00 41.96 41.08 1uhf s TYR 11 CO 0.43 -0.11 0.13 0.42 -1.57 0.00 0.00 175.55 174.84 1uhf s ILE 12 N -0.81 5.41 -0.09 2.71 -1.09 0.49 -0.69 121.20 127.12 1uhf s ILE 12 Ca -0.09 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.22 1uhf s ILE 12 Cb -0.06 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 1uhf s ILE 12 CO -0.00 0.48 1.73 0.00 -1.23 0.00 0.00 174.94 175.91 1uhf s ALA 13 N 0.08 3.47 -0.05 9.38 0.00 -0.62 0.52 121.76 134.53 1uhf s ALA 13 Ca 0.09 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.70 1uhf s ALA 13 Cb -0.11 -3.81 -0.31 0.00 0.00 0.00 0.00 23.12 18.89 1uhf s ALA 13 CO -0.01 -1.65 0.89 -0.07 0.00 0.00 0.00 175.76 174.92 1uhf h LEU 14 N 10.98 0.44 -8.36 0.00 3.38 -1.28 0.43 115.31 120.90 1uhf h LEU 14 Ca -0.40 -0.96 -0.32 0.00 0.09 0.00 0.00 57.88 56.29 1uhf h LEU 14 Cb 1.18 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.59 1uhf h LEU 14 CO 0.96 1.37 -0.74 -0.31 0.09 0.00 0.00 178.44 179.81 1uhf s TYR 15 N -2.42 0.97 -0.28 1.13 1.51 -1.23 -4.70 117.35 112.34 1uhf s TYR 15 Ca -0.14 -0.57 -0.29 0.00 -1.01 0.00 0.00 57.07 55.06 1uhf s TYR 15 Cb 0.01 -0.55 -0.00 0.00 -0.11 0.00 0.00 41.96 41.30 1uhf s TYR 15 CO 0.82 -0.02 1.34 -1.25 -1.11 0.00 0.00 175.55 175.33 1uhf s PRO 16 N -2.21 3.92 -0.27 -1.71 0.04 -1.26 -4.16 135.00 129.35 1uhf s PRO 16 Ca -0.01 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.28 1uhf s PRO 16 Cb -0.06 -3.89 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1uhf s PRO 16 CO 0.00 -1.11 0.08 -0.47 0.04 0.00 0.00 177.00 175.55 1uhf s TYR 17 N 4.41 3.11 -0.29 0.56 5.04 -0.42 -4.90 117.35 124.86 1uhf s TYR 17 Ca 0.58 -0.62 -0.07 0.00 -2.44 0.00 0.00 57.07 54.52 1uhf s TYR 17 Cb -0.18 -2.26 0.00 0.00 0.35 0.00 0.00 41.96 39.88 1uhf s TYR 17 CO 0.23 -0.44 0.09 -1.54 -1.34 0.00 0.00 175.55 172.55 1uhf s SER 18 N 1.58 5.18 -0.18 4.32 1.04 -1.26 -2.91 113.70 121.47 1uhf s SER 18 Ca 0.05 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 55.76 1uhf s SER 18 Cb -0.16 -1.90 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 1uhf s SER 18 CO 0.03 -0.18 0.12 -0.94 0.98 0.00 0.00 173.24 173.25 1uhf s SER 19 N 1.53 6.11 0.49 7.02 1.04 -1.26 -4.96 113.70 123.66 1uhf s SER 19 Ca 0.03 0.25 0.27 0.00 0.48 0.00 0.00 55.95 56.98 1uhf s SER 19 Cb -0.17 -2.05 1.21 0.00 0.10 0.00 0.00 66.02 65.12 1uhf s SER 19 CO 0.03 0.23 1.95 -0.37 0.98 0.00 0.00 173.24 176.06 1uhf h VAL 20 N 4.56 0.50 -2.81 5.02 -1.51 -1.98 -3.42 116.25 116.61 1uhf h VAL 20 Ca -0.43 -0.81 -0.65 0.00 -1.23 0.00 0.00 66.70 63.58 1uhf h VAL 20 Cb 1.17 1.56 -0.07 0.00 -2.13 0.00 0.00 31.29 31.82 1uhf h VAL 20 CO 0.71 0.16 -0.39 -1.61 -1.23 0.00 0.00 177.57 175.21 1uhf s GLU 21 N -3.88 3.65 0.00 5.19 0.41 -1.26 -4.96 118.70 117.85 1uhf s GLU 21 Ca -0.01 0.04 0.24 0.00 -0.41 0.00 0.00 54.97 54.83 1uhf s GLU 21 Cb 0.11 -3.22 1.42 0.00 -1.78 0.00 0.00 34.13 30.66 1uhf s GLU 21 CO 0.60 0.71 1.79 -0.35 -0.49 0.00 0.00 175.26 177.52 1uhf n PRO 22 N 2.07 0.75 0.08 0.39 -0.04 -1.26 -3.02 135.00 133.96 1uhf n PRO 22 Ca -0.18 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.07 1uhf n PRO 22 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 3.76 0.43 -4.25 0.55 0.00 -1.94 -3.45 103.07 98.17 1uhf h GLY 23 Ca 0.00 -1.10 -0.53 0.00 0.00 0.00 0.00 47.33 45.71 1uhf h GLY 23 CO 0.00 0.96 0.45 -0.35 0.00 0.00 0.00 176.54 177.60 1uhf s ASP 24 N -7.16 7.29 -0.02 0.19 -1.08 -1.17 -3.22 116.67 111.50 1uhf s ASP 24 Ca -0.12 1.93 -0.30 0.00 -0.52 0.00 0.00 52.55 53.54 1uhf s ASP 24 Cb 0.02 -2.59 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1uhf s ASP 24 CO 0.87 -0.26 1.85 -0.22 0.52 0.00 0.00 175.17 177.93 1uhf s LEU 25 N 0.33 4.32 -0.18 -1.34 2.96 0.43 -4.70 118.68 120.50 1uhf s LEU 25 Ca 0.52 2.43 -0.10 0.00 -0.22 0.00 0.00 54.13 56.76 1uhf s LEU 25 Cb -0.27 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 1uhf s LEU 25 CO 0.31 -1.06 0.15 0.42 -1.32 0.00 0.00 176.35 174.85 1uhf s THR 26 N 4.54 5.41 0.23 3.68 -4.23 -1.26 -4.69 115.64 119.32 1uhf s THR 26 Ca 0.83 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 61.43 1uhf s THR 26 Cb -0.38 -3.48 0.01 0.00 1.34 0.00 0.00 72.50 69.99 1uhf s THR 26 CO 0.36 0.47 0.50 0.72 -0.54 0.00 0.00 174.62 176.14 1uhf s PHE 27 N 0.10 0.15 0.37 3.99 -0.12 -1.15 -5.06 117.98 116.26 1uhf s PHE 27 Ca 0.10 -0.52 0.08 0.00 -0.05 0.00 0.00 56.93 56.55 1uhf s PHE 27 Cb -0.11 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1uhf s PHE 27 CO -0.00 -0.97 0.12 0.95 -0.05 0.00 0.00 175.22 175.27 1uhf s THR 28 N -3.96 2.61 0.14 -4.49 -4.23 -1.26 -1.30 115.64 103.15 1uhf s THR 28 Ca 0.16 -1.77 -0.31 0.00 -1.18 0.00 0.00 61.69 58.59 1uhf s THR 28 Cb -0.01 -2.94 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1uhf s THR 28 CO 0.04 -0.11 1.60 -0.70 -0.54 0.00 0.00 174.62 174.91 1uhf s GLU 29 N -3.83 4.21 0.00 3.99 -6.30 -1.26 -2.22 118.70 113.29 1uhf s GLU 29 Ca 0.38 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 55.21 1uhf s GLU 29 Cb 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.86 1uhf s GLU 29 CO 0.22 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.26 1uhf n GLY 30 N 3.83 2.58 3.31 -1.50 0.00 0.14 -4.93 105.19 108.62 1uhf n GLY 30 Ca 0.14 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.24 -3.74 1.61 -0.58 -0.94 -4.52 120.64 112.22 1uhf n GLU 31 Ca 0.00 -0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.32 1uhf n GLU 31 Cb 0.00 -1.64 -0.12 0.00 -0.57 0.00 0.00 31.44 29.11 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 -3.22 2.51 -0.15 3.49 2.02 -1.26 -1.59 118.70 120.49 1uhf s GLU 32 Ca 0.52 -1.34 -0.08 0.00 0.02 0.00 0.00 54.97 54.09 1uhf s GLU 32 Cb -0.20 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1uhf s GLU 32 CO 0.71 -0.78 0.13 0.42 0.02 0.00 0.00 175.26 175.76 1uhf s ILE 33 N 1.35 5.41 -0.40 -1.63 1.01 0.13 -4.55 121.20 122.52 1uhf s ILE 33 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1uhf s ILE 33 Cb -0.21 -3.39 0.08 0.00 0.01 0.00 0.00 42.46 38.95 1uhf s ILE 33 CO 0.01 0.56 0.22 -0.22 0.00 0.00 0.00 174.94 175.51 1uhf s LEU 34 N -0.53 5.02 0.21 2.97 2.96 0.36 0.25 118.68 129.92 1uhf s LEU 34 Ca 0.12 -1.54 -0.26 0.00 -0.22 0.00 0.00 54.13 52.24 1uhf s LEU 34 Cb -0.12 -1.94 -0.09 0.00 0.50 0.00 0.00 46.19 44.55 1uhf s LEU 34 CO 0.02 -0.50 0.83 -0.69 -1.32 0.00 0.00 176.35 174.69 1uhf s VAL 35 N 1.37 4.30 0.00 1.68 1.01 0.11 -0.83 120.40 128.03 1uhf s VAL 35 Ca 0.03 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1uhf s VAL 35 Cb -0.22 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1uhf s VAL 35 CO 0.01 0.42 0.00 0.35 0.00 0.00 0.00 175.10 175.88 1uhf n THR 36 N 1.31 0.00 -4.02 3.92 -2.24 -0.90 0.17 114.28 112.52 1uhf n THR 36 Ca -0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1uhf n THR 36 Cb 0.49 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.69 3.36 -0.42 -0.78 -0.21 -1.24 -4.73 119.66 113.94 1uhf s GLN 37 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 55.36 54.66 1uhf s GLN 37 Cb 0.00 -2.93 0.09 0.00 1.00 0.00 0.00 33.01 31.17 1uhf s GLN 37 CO 0.00 -0.15 0.26 0.15 -2.12 0.00 0.00 175.29 173.43 1uhf s LYS 38 N 1.32 2.45 -0.42 2.91 1.02 -1.26 0.19 119.74 125.95 1uhf s LYS 38 Ca 0.04 -1.60 -0.10 0.00 0.02 0.00 0.00 55.97 54.33 1uhf s LYS 38 Cb -0.14 -3.75 0.08 0.00 -0.52 0.00 0.00 37.83 33.50 1uhf s LYS 38 CO -0.03 -1.02 0.27 0.34 -0.92 0.00 0.00 175.35 173.99 1uhf s ASP 39 N 2.16 5.69 1.99 2.83 2.15 -0.99 -4.95 116.67 125.55 1uhf s ASP 39 Ca 0.04 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.54 1uhf s ASP 39 Cb -0.24 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1uhf s ASP 39 CO -0.00 -0.55 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 1uhf n GLY 40 N 4.95 4.34 0.06 2.66 0.00 -1.26 -1.40 105.19 114.54 1uhf n GLY 40 Ca -0.10 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 13.99 0.64 -3.51 1.61 -0.58 -1.26 -4.77 120.64 126.75 1uhf n GLU 41 Ca 0.00 -0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 1uhf n GLU 41 Cb 0.00 -1.66 -0.10 0.00 -0.57 0.00 0.00 31.44 29.10 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 -3.35 3.24 0.27 -0.32 0.52 -0.50 -2.46 118.94 116.35 1uhf s TRP 42 Ca -0.05 -0.68 0.06 0.00 0.02 0.00 0.00 56.10 55.45 1uhf s TRP 42 Cb 0.11 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 1uhf s TRP 42 CO 0.85 -0.59 0.38 -1.58 0.02 0.00 0.00 176.95 176.03 1uhf s TRP 43 N 1.64 3.33 -0.33 -1.98 0.51 -1.16 -2.36 118.94 118.59 1uhf s TRP 43 Ca 0.04 -0.08 -0.15 0.00 -2.12 0.00 0.00 56.10 53.79 1uhf s TRP 43 Cb -0.19 -1.68 -0.02 0.00 -0.81 0.00 0.00 33.47 30.78 1uhf s TRP 43 CO 0.09 0.32 0.34 0.99 -0.51 0.00 0.00 176.95 178.18 1uhf s THR 44 N -2.05 5.19 0.42 2.01 2.01 0.51 -2.26 115.64 121.47 1uhf s THR 44 Ca 0.37 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.53 1uhf s THR 44 Cb -0.09 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.63 1uhf s THR 44 CO 0.29 -0.04 0.47 -0.83 -0.69 0.00 0.00 174.62 173.82 1uhf s GLY 45 N 1.73 2.05 0.02 4.40 0.00 -0.82 -2.11 107.32 112.59 1uhf s GLY 45 Ca 0.11 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.94 1uhf s GLY 45 CO 0.11 -1.61 0.22 -0.56 0.00 0.00 0.00 173.10 171.26 1uhf s SER 46 N -4.24 -0.03 -0.17 1.64 0.01 -0.01 -3.06 113.70 107.84 1uhf s SER 46 Ca 0.51 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 1uhf s SER 46 Cb -0.06 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.51 1uhf s SER 46 CO 0.30 -0.50 0.07 -0.63 0.41 0.00 0.00 173.24 172.89 1uhf s ILE 47 N -2.08 0.10 0.00 1.44 1.01 -1.24 0.13 121.20 120.57 1uhf s ILE 47 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1uhf s ILE 47 Cb -0.03 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1uhf s ILE 47 CO -0.01 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1uhf n GLY 48 N 5.21 0.58 0.93 6.18 0.00 -1.26 -1.22 105.19 115.62 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 1.55 -0.82 -4.94 1.61 -0.08 -1.26 -5.14 116.55 107.48 1uhf n ASP 49 Ca 0.00 -1.62 -0.20 0.00 -1.51 0.00 0.00 54.79 51.46 1uhf n ASP 49 Cb 0.00 0.25 -0.02 0.00 2.34 0.00 0.00 41.12 43.69 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 2.91 -0.10 -0.67 0.52 -0.35 -5.13 118.95 116.12 1uhf s ARG 50 Ca 0.00 -1.18 -0.08 0.00 -0.52 0.00 0.00 55.73 53.95 1uhf s ARG 50 Cb 0.01 -2.66 0.03 0.00 0.52 0.00 0.00 34.95 32.85 1uhf s ARG 50 CO -0.00 0.02 0.26 -1.12 0.02 0.00 0.00 175.30 174.48 1uhf s SER 51 N -4.13 -0.28 0.00 0.23 0.01 -1.26 -3.58 113.70 104.68 1uhf s SER 51 Ca 0.45 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1uhf s SER 51 Cb -0.08 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1uhf s SER 51 CO 0.29 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1uhf n GLY 52 N 3.34 -0.21 3.90 3.44 0.00 -1.17 -4.72 105.19 109.76 1uhf n GLY 52 Ca -0.17 -0.99 -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 5.05 0.17 -0.61 -4.36 -1.20 -1.94 121.20 116.31 1uhf s ILE 53 Ca 0.00 -0.82 -0.17 0.00 -0.26 0.00 0.00 60.65 59.40 1uhf s ILE 53 Cb 0.00 -3.59 0.03 0.00 1.25 0.00 0.00 42.46 40.15 1uhf s ILE 53 CO 0.00 -0.10 0.49 0.72 0.24 0.00 0.00 174.94 176.30 1uhf s PHE 54 N -1.74 -0.18 -0.27 1.37 -0.71 -0.96 0.16 117.98 115.66 1uhf s PHE 54 Ca 0.33 -0.15 -0.29 0.00 -1.04 0.00 0.00 56.93 55.79 1uhf s PHE 54 Cb -0.11 0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1uhf s PHE 54 CO 0.27 -0.84 1.33 -1.25 -1.34 0.00 0.00 175.22 173.39 1uhf s PRO 55 N -3.84 3.95 -0.84 1.99 0.04 -1.26 -2.99 135.00 132.04 1uhf s PRO 55 Ca 0.07 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 1uhf s PRO 55 Cb -0.00 -3.88 -0.06 0.00 0.04 0.00 0.00 34.50 30.60 1uhf s PRO 55 CO -0.06 -1.08 2.13 -1.13 0.04 0.00 0.00 177.00 176.89 1uhf n SER 56 N 7.57 4.78 0.00 6.66 3.41 -1.03 -2.81 113.62 132.20 1uhf n SER 56 Ca 0.15 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1uhf n SER 56 Cb 0.46 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1uhf n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uhf n ASN 57 N 4.06 0.00 -1.76 4.04 3.02 -1.26 -4.86 115.26 118.50 1uhf n ASN 57 Ca 0.43 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.88 1uhf n ASN 57 Cb 0.17 0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1uhf n ASN 57 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1uhf n TYR 58 N -2.05 0.89 -3.79 3.10 4.01 -1.12 -4.78 117.16 113.42 1uhf n TYR 58 Ca 0.00 -1.57 -0.13 0.00 -0.16 0.00 0.00 57.90 56.04 1uhf n TYR 58 Cb 0.00 -0.80 -0.12 0.00 -0.31 0.00 0.00 39.34 38.11 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 -1.31 0.00 0.21 -0.72 -7.23 -1.26 -0.78 120.40 109.31 1uhf s VAL 59 Ca 0.20 -0.03 0.11 0.00 -1.81 0.00 0.00 61.98 60.46 1uhf s VAL 59 Cb 0.15 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1uhf s VAL 59 CO -0.01 -0.01 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.98 1uhf s LYS 60 N 0.06 1.68 -0.17 4.82 -2.85 0.18 -4.86 119.74 118.61 1uhf s LYS 60 Ca -0.01 -1.52 -0.29 0.00 -1.00 0.00 0.00 55.97 53.15 1uhf s LYS 60 Cb -0.02 -1.90 -0.01 0.00 -2.06 0.00 0.00 37.83 33.84 1uhf s LYS 60 CO 0.00 0.39 1.28 -1.25 0.10 0.00 0.00 175.35 175.88 1uhf s PRO 61 N -2.91 4.20 -0.66 1.78 0.04 -1.26 0.19 135.00 136.38 1uhf s PRO 61 Ca 0.24 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1uhf s PRO 61 Cb -0.07 -3.78 -0.12 0.00 0.04 0.00 0.00 34.50 30.56 1uhf s PRO 61 CO 0.12 -0.75 2.46 1.17 0.04 0.00 0.00 177.00 180.05 1uhf n LYS 62 N 6.69 0.72 -1.80 4.56 4.81 -0.92 -3.76 118.16 128.46 1uhf n LYS 62 Ca 0.14 -0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1uhf n LYS 62 Cb 0.45 -2.99 -0.01 0.00 0.02 0.00 0.00 35.03 32.50 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 14.82 -5.03 -3.22 3.14 2.03 -1.26 -4.98 116.55 122.04 1uhf n ASP 63 Ca 0.46 0.94 0.04 0.00 0.52 0.00 0.00 54.79 56.75 1uhf n ASP 63 Cb 0.41 -3.27 -0.03 0.00 -0.72 0.00 0.00 41.12 37.51 1uhf n ASP 63 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1uhf s SER 64 N -0.33 -0.25 0.00 1.67 0.01 -1.25 -5.16 113.70 108.40 1uhf s SER 64 Ca -0.03 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1uhf s SER 64 Cb 0.00 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1uhf s SER 64 CO 0.09 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1uhf n GLY 65 N 4.92 2.25 3.80 3.44 0.00 -1.26 -5.01 105.19 113.33 1uhf n GLY 65 Ca -0.07 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1uhf n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhf s PRO 66 N 0.00 3.81 -0.03 1.61 0.04 -1.26 -5.00 135.00 134.18 1uhf s PRO 66 Ca 0.00 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 1uhf s PRO 66 Cb 0.00 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1uhf s PRO 66 CO 0.00 -0.42 -0.14 0.45 0.04 0.00 0.00 177.00 176.93 1uhf n SER 67 N -0.93 1.32 -4.38 6.66 2.88 -1.26 -5.06 113.62 112.86 1uhf n SER 67 Ca 0.09 0.20 -0.29 0.00 -1.33 0.00 0.00 58.87 57.54 1uhf n SER 67 Cb 0.52 -0.47 -0.13 0.00 -0.75 0.00 0.00 64.21 63.38 1uhf n SER 67 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhf s SER 68 N -5.97 3.28 0.00 -3.46 0.15 -1.26 -5.37 113.70 101.06 1uhf s SER 68 Ca -0.12 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1uhf s SER 68 Cb 0.02 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1uhf s SER 68 CO 0.17 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.42