#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 0.17 0.20 1.61 0.15 -1.26 -5.17 113.70 109.40 1uhf s SER 2 Ca 0.00 -1.11 0.09 0.00 0.70 0.00 0.00 55.95 55.64 1uhf s SER 2 Cb 0.00 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1uhf s SER 2 CO 0.00 -0.83 -0.08 -0.55 1.20 0.00 0.00 173.24 172.98 1uhf s SER 3 N -3.04 4.26 0.00 5.45 0.15 -1.26 -5.12 113.70 114.14 1uhf s SER 3 Ca 0.24 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1uhf s SER 3 Cb 0.06 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1uhf s SER 3 CO 0.03 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1uhf n GLY 4 N -0.19 2.02 2.99 9.45 0.00 -1.26 -5.13 105.19 113.06 1uhf n GLY 4 Ca -0.10 0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.98 1uhf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhf s SER 5 N 0.00 -0.89 -0.29 1.61 0.01 -1.26 -5.14 113.70 107.74 1uhf s SER 5 Ca 0.00 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.72 1uhf s SER 5 Cb 0.00 1.17 0.13 0.00 0.21 0.00 0.00 66.02 67.53 1uhf s SER 5 CO 0.00 -0.10 0.80 -0.55 0.41 0.00 0.00 173.24 173.80 1uhf s SER 6 N 2.01 -0.84 0.00 2.44 0.15 -1.26 -5.08 113.70 111.12 1uhf s SER 6 Ca 0.16 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1uhf s SER 6 Cb -0.01 1.70 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 1uhf s SER 6 CO -0.12 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1uhf n GLY 7 N 4.69 -2.38 3.77 9.45 0.00 -1.26 -5.14 105.19 114.33 1uhf n GLY 7 Ca -0.15 0.82 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 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 2.88 -0.16 -0.02 0.00 -1.26 -4.73 107.32 104.02 1uhf s GLY 8 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.27 1uhf s GLY 8 CO 0.00 1.02 -0.17 -0.54 0.00 0.00 0.00 173.10 173.40 1uhf s GLU 9 N -1.84 3.14 0.13 2.90 0.41 0.50 -4.93 118.70 119.01 1uhf s GLU 9 Ca 0.48 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.96 1uhf s GLU 9 Cb -0.20 -2.59 -0.06 0.00 -1.78 0.00 0.00 34.13 29.50 1uhf s GLU 9 CO 0.26 -0.04 0.94 -1.21 -0.49 0.00 0.00 175.26 174.72 1uhf s GLU 10 N 0.92 4.72 0.01 1.61 8.01 -1.26 0.11 118.70 132.82 1uhf s GLU 10 Ca -0.04 1.43 -0.01 0.00 0.01 0.00 0.00 54.97 56.36 1uhf s GLU 10 Cb -0.15 -3.35 -0.01 0.00 -4.31 0.00 0.00 34.13 26.31 1uhf s GLU 10 CO -0.03 0.29 0.01 0.71 0.01 0.00 0.00 175.26 176.25 1uhf s TYR 11 N -0.27 0.14 -0.22 1.61 1.51 -0.74 -1.71 117.35 117.67 1uhf s TYR 11 Ca 0.45 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 56.14 1uhf s TYR 11 Cb -0.24 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 1uhf s TYR 11 CO 0.30 -0.15 0.11 0.42 -1.11 0.00 0.00 175.55 175.13 1uhf s ILE 12 N -0.97 5.07 -0.18 2.71 -1.09 0.83 -1.87 121.20 125.70 1uhf s ILE 12 Ca -0.11 0.07 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1uhf s ILE 12 Cb -0.07 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1uhf s ILE 12 CO -0.00 0.39 1.78 0.00 -1.23 0.00 0.00 174.94 175.88 1uhf s ALA 13 N 0.80 3.23 -0.00 9.38 0.00 -0.75 -1.08 121.76 133.33 1uhf s ALA 13 Ca 0.06 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.45 1uhf s ALA 13 Cb -0.13 -3.89 -0.14 0.00 0.00 0.00 0.00 23.12 18.96 1uhf s ALA 13 CO 0.02 -2.04 1.05 -0.07 0.00 0.00 0.00 175.76 174.72 1uhf h LEU 14 N 12.12 -0.56 -9.12 0.00 3.38 -1.25 -0.44 115.31 119.44 1uhf h LEU 14 Ca -0.38 -0.06 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 1uhf h LEU 14 Cb 1.18 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.91 1uhf h LEU 14 CO 0.98 -0.16 -0.79 -0.31 0.09 0.00 0.00 178.44 178.25 1uhf s TYR 15 N -4.35 2.30 -0.30 1.13 2.02 -1.25 -4.61 117.35 112.29 1uhf s TYR 15 Ca -0.13 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 55.94 1uhf s TYR 15 Cb 0.02 -1.07 -0.00 0.00 -0.40 0.00 0.00 41.96 40.50 1uhf s TYR 15 CO 0.43 0.60 1.35 -1.25 -1.57 0.00 0.00 175.55 175.12 1uhf s PRO 16 N -3.07 3.86 -0.21 -1.71 0.04 -1.26 -4.11 135.00 128.54 1uhf s PRO 16 Ca 0.25 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 1uhf s PRO 16 Cb -0.07 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 1uhf s PRO 16 CO 0.12 -1.19 -0.03 -0.47 0.04 0.00 0.00 177.00 175.48 1uhf s TYR 17 N 4.59 2.98 -0.11 0.56 5.04 0.23 -4.86 117.35 125.79 1uhf s TYR 17 Ca 0.59 -0.73 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1uhf s TYR 17 Cb -0.17 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.05 1uhf s TYR 17 CO 0.25 -0.42 -0.22 -1.54 -1.34 0.00 0.00 175.55 172.29 1uhf s SER 18 N 1.27 2.93 0.12 4.32 1.04 -1.26 -1.68 113.70 120.45 1uhf s SER 18 Ca 0.03 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 56.01 1uhf s SER 18 Cb -0.14 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 1uhf s SER 18 CO -0.01 0.11 -0.15 -0.55 0.98 0.00 0.00 173.24 173.63 1uhf s SER 19 N 0.57 4.07 0.00 7.02 0.15 -1.26 -5.01 113.70 119.24 1uhf s SER 19 Ca -0.14 -0.52 0.21 0.00 0.70 0.00 0.00 55.95 56.20 1uhf s SER 19 Cb -0.17 -0.64 0.57 0.00 -1.71 0.00 0.00 66.02 64.07 1uhf s SER 19 CO 0.04 0.17 1.46 1.33 1.20 0.00 0.00 173.24 177.44 1uhf n VAL 20 N 0.65 0.37 -4.91 4.45 0.24 -1.26 -4.87 118.33 112.99 1uhf n VAL 20 Ca -0.14 -0.55 -0.32 0.00 -2.04 0.00 0.00 64.34 61.29 1uhf n VAL 20 Cb 0.53 0.66 -0.14 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.63 2.31 0.00 7.34 0.41 -1.26 -4.99 118.70 120.88 1uhf s GLU 21 Ca 0.35 -0.82 0.24 0.00 -0.41 0.00 0.00 54.97 54.33 1uhf s GLU 21 Cb 0.20 -2.26 1.40 0.00 -1.78 0.00 0.00 34.13 31.69 1uhf s GLU 21 CO 0.28 0.59 1.78 -0.35 -0.49 0.00 0.00 175.26 177.07 1uhf n PRO 22 N 2.13 0.75 0.03 0.39 -0.04 -1.26 -3.01 135.00 133.99 1uhf n PRO 22 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 1uhf n PRO 22 Cb 0.52 -1.49 -0.14 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 0.32 -4.32 0.55 0.00 -1.94 -3.46 103.07 97.98 1uhf h GLY 23 Ca 0.00 -0.81 -0.53 0.00 0.00 0.00 0.00 47.33 45.99 1uhf h GLY 23 CO 0.00 0.71 0.22 -0.35 0.00 0.00 0.00 176.54 177.12 1uhf s ASP 24 N -7.04 7.34 -0.14 0.19 -1.08 -1.16 -1.96 116.67 112.81 1uhf s ASP 24 Ca -0.17 1.59 -0.29 0.00 -0.52 0.00 0.00 52.55 53.16 1uhf s ASP 24 Cb 0.03 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.96 1uhf s ASP 24 CO 0.80 0.05 1.39 -0.22 0.52 0.00 0.00 175.17 177.71 1uhf s LEU 25 N -0.36 4.21 -0.14 -1.34 2.96 0.38 -4.73 118.68 119.66 1uhf s LEU 25 Ca 0.40 1.84 -0.20 0.00 -0.22 0.00 0.00 54.13 55.94 1uhf s LEU 25 Cb -0.22 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1uhf s LEU 25 CO 0.26 -0.83 0.56 0.42 -1.32 0.00 0.00 176.35 175.44 1uhf s THR 26 N 3.73 5.11 0.13 3.68 -4.23 -1.26 -4.83 115.64 117.97 1uhf s THR 26 Ca 0.61 1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 62.05 1uhf s THR 26 Cb -0.25 -3.89 0.04 0.00 1.34 0.00 0.00 72.50 69.74 1uhf s THR 26 CO 0.20 0.24 0.42 0.72 -0.54 0.00 0.00 174.62 175.65 1uhf s PHE 27 N 1.13 -0.23 0.51 3.99 -0.12 -0.67 -5.05 117.98 117.54 1uhf s PHE 27 Ca 0.28 -0.08 0.07 0.00 -0.05 0.00 0.00 56.93 57.15 1uhf s PHE 27 Cb -0.16 0.29 0.03 0.00 -0.63 0.00 0.00 43.02 42.55 1uhf s PHE 27 CO 0.12 -0.72 0.49 0.95 -0.05 0.00 0.00 175.22 176.00 1uhf s THR 28 N -3.80 2.13 -0.02 -4.49 -4.23 -1.26 -0.60 115.64 103.37 1uhf s THR 28 Ca 0.03 -1.32 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1uhf s THR 28 Cb 0.01 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1uhf s THR 28 CO -0.12 0.00 1.33 -0.70 -0.54 0.00 0.00 174.62 174.60 1uhf s GLU 29 N -4.32 4.31 0.00 3.99 -6.30 -1.26 -2.61 118.70 112.51 1uhf s GLU 29 Ca 0.46 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.79 1uhf s GLU 29 Cb -0.04 -3.56 0.00 0.00 0.00 0.00 0.00 34.13 30.53 1uhf s GLU 29 CO 0.28 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1uhf n GLY 30 N 3.55 2.08 3.65 -1.50 0.00 -0.17 -4.91 105.19 107.89 1uhf n GLY 30 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.25 1.22 -3.37 1.61 -0.58 -1.07 -4.58 120.64 113.62 1uhf n GLU 31 Ca 0.00 0.46 -0.45 0.00 -0.42 0.00 0.00 57.16 56.75 1uhf n GLU 31 Cb 0.00 -2.27 -0.07 0.00 -0.57 0.00 0.00 31.44 28.52 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 -2.68 2.98 -0.09 3.49 2.02 -1.26 -1.81 118.70 121.35 1uhf s GLU 32 Ca 0.72 -1.43 -0.15 0.00 0.02 0.00 0.00 54.97 54.13 1uhf s GLU 32 Cb -0.44 -4.17 -0.05 0.00 0.10 0.00 0.00 34.13 29.57 1uhf s GLU 32 CO 0.49 -1.10 0.39 0.42 0.02 0.00 0.00 175.26 175.48 1uhf s ILE 33 N 1.63 5.18 -0.44 -1.63 1.01 -0.78 -4.82 121.20 121.34 1uhf s ILE 33 Ca 0.04 0.77 -0.16 0.00 0.00 0.00 0.00 60.65 61.30 1uhf s ILE 33 Cb -0.26 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1uhf s ILE 33 CO 0.06 0.45 0.38 -0.22 0.00 0.00 0.00 174.94 175.61 1uhf s LEU 34 N -0.10 5.28 0.12 2.97 2.96 0.12 -1.79 118.68 128.24 1uhf s LEU 34 Ca 0.22 -1.05 -0.25 0.00 -0.22 0.00 0.00 54.13 52.83 1uhf s LEU 34 Cb -0.15 -2.22 -0.07 0.00 0.50 0.00 0.00 46.19 44.25 1uhf s LEU 34 CO 0.09 -0.58 0.76 -0.69 -1.32 0.00 0.00 176.35 174.61 1uhf s VAL 35 N 1.80 4.50 0.00 1.68 1.01 0.12 -0.12 120.40 129.38 1uhf s VAL 35 Ca 0.06 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1uhf s VAL 35 Cb -0.21 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1uhf s VAL 35 CO 0.09 0.48 0.00 0.35 0.00 0.00 0.00 175.10 176.02 1uhf n THR 36 N 1.96 0.00 -4.86 3.92 -2.24 -1.05 0.19 114.28 112.19 1uhf n THR 36 Ca -0.05 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1uhf n THR 36 Cb 0.49 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.68 3.21 -0.36 -0.78 0.74 -1.21 -4.82 119.66 114.75 1uhf s GLN 37 Ca 0.00 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1uhf s GLN 37 Cb 0.00 -2.51 0.09 0.00 1.10 0.00 0.00 33.01 31.69 1uhf s GLN 37 CO 0.00 0.14 0.11 0.15 -0.55 0.00 0.00 175.29 175.14 1uhf s LYS 38 N 0.48 1.96 -0.40 1.67 1.02 -1.26 0.19 119.74 123.40 1uhf s LYS 38 Ca -0.12 -1.70 -0.05 0.00 0.02 0.00 0.00 55.97 54.12 1uhf s LYS 38 Cb -0.16 -3.37 0.09 0.00 -0.52 0.00 0.00 37.83 33.87 1uhf s LYS 38 CO 0.05 -0.92 0.20 0.34 -0.92 0.00 0.00 175.35 174.10 1uhf s ASP 39 N 1.42 5.33 0.69 2.83 2.15 -1.20 -4.97 116.67 122.92 1uhf s ASP 39 Ca 0.05 -1.78 0.00 0.00 0.43 0.00 0.00 52.55 51.25 1uhf s ASP 39 Cb -0.21 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1uhf s ASP 39 CO -0.05 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 1uhf n GLY 40 N 4.70 1.84 0.07 2.66 0.00 -1.26 -3.04 105.19 110.16 1uhf n GLY 40 Ca -0.06 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 0.03 -4.86 1.61 4.81 -1.97 -3.42 114.58 110.79 1uhf h GLU 41 Ca 0.00 -0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.49 1uhf h GLU 41 Cb 0.00 0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.22 1uhf h GLU 41 CO 0.00 1.00 -0.26 -1.58 -0.73 0.00 0.00 179.01 177.44 1uhf s TRP 42 N -2.70 3.19 0.36 0.92 0.52 -1.17 -2.89 118.94 117.18 1uhf s TRP 42 Ca 0.00 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 55.90 1uhf s TRP 42 Cb 0.10 -2.77 -0.01 0.00 -1.15 0.00 0.00 33.47 29.63 1uhf s TRP 42 CO 0.83 -0.58 0.53 -1.58 0.02 0.00 0.00 176.95 176.17 1uhf s TRP 43 N 2.04 3.25 -0.34 -1.98 0.51 -1.13 -3.28 118.94 118.02 1uhf s TRP 43 Ca 0.11 0.04 -0.15 0.00 -2.12 0.00 0.00 56.10 53.98 1uhf s TRP 43 Cb -0.17 -2.02 -0.01 0.00 -0.81 0.00 0.00 33.47 30.45 1uhf s TRP 43 CO 0.12 -0.04 0.38 0.99 -0.51 0.00 0.00 176.95 177.89 1uhf s THR 44 N -2.29 5.16 0.39 2.01 2.01 0.49 -2.18 115.64 121.23 1uhf s THR 44 Ca 0.44 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.63 1uhf s THR 44 Cb -0.10 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1uhf s THR 44 CO 0.34 -0.08 0.46 -0.83 -0.69 0.00 0.00 174.62 173.82 1uhf s GLY 45 N 1.73 1.90 0.01 4.40 0.00 -0.77 -2.54 107.32 112.05 1uhf s GLY 45 Ca 0.13 -1.68 -0.07 0.00 0.00 0.00 0.00 44.72 43.10 1uhf s GLY 45 CO 0.12 -1.53 0.13 -0.56 0.00 0.00 0.00 173.10 171.25 1uhf s SER 46 N -4.21 0.05 -0.17 1.64 0.01 0.83 -2.85 113.70 109.01 1uhf s SER 46 Ca 0.49 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.46 1uhf s SER 46 Cb -0.08 0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.41 1uhf s SER 46 CO 0.30 -0.38 0.07 -0.63 0.41 0.00 0.00 173.24 173.02 1uhf s ILE 47 N -1.49 0.09 0.00 1.44 1.01 -0.87 0.11 121.20 121.49 1uhf s ILE 47 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1uhf s ILE 47 Cb -0.07 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1uhf s ILE 47 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1uhf n GLY 48 N 5.21 0.43 0.88 6.18 0.00 -1.26 -0.84 105.19 115.80 1uhf n GLY 48 Ca -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1uhf n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uhf n ASP 49 N 1.33 -0.55 -4.66 1.61 8.00 -1.26 -5.13 116.55 115.89 1uhf n ASP 49 Ca 0.00 -1.72 -0.25 0.00 0.71 0.00 0.00 54.79 53.53 1uhf n ASP 49 Cb 0.00 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 1uhf n ASP 49 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1uhf s ARG 50 N 0.00 2.39 0.12 -1.24 0.52 -0.02 -5.14 118.95 115.58 1uhf s ARG 50 Ca 0.02 -1.21 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 1uhf s ARG 50 Cb 0.03 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1uhf s ARG 50 CO -0.01 0.42 0.03 0.45 0.02 0.00 0.00 175.30 176.21 1uhf s SER 51 N -3.22 0.46 0.00 0.23 0.15 -1.26 -2.06 113.70 108.00 1uhf s SER 51 Ca 0.29 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1uhf s SER 51 Cb -0.08 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1uhf s SER 51 CO 0.19 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1uhf n GLY 52 N -0.07 -2.07 3.88 9.45 0.00 -1.13 -4.52 105.19 110.73 1uhf n GLY 52 Ca -0.07 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.09 4.83 0.16 -0.61 -4.36 -0.83 -1.84 121.20 116.47 1uhf s ILE 53 Ca 0.00 -1.10 -0.23 0.00 -0.26 0.00 0.00 60.65 59.06 1uhf s ILE 53 Cb 0.00 -3.57 0.06 0.00 1.25 0.00 0.00 42.46 40.21 1uhf s ILE 53 CO 0.00 -0.25 0.67 0.72 0.24 0.00 0.00 174.94 176.32 1uhf s PHE 54 N -1.95 -0.43 -0.23 1.37 -0.12 -0.93 -0.47 117.98 115.22 1uhf s PHE 54 Ca 0.33 0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 57.10 1uhf s PHE 54 Cb -0.09 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1uhf s PHE 54 CO 0.26 -0.88 1.31 -1.25 -0.05 0.00 0.00 175.22 174.61 1uhf s PRO 55 N -3.68 4.05 0.00 1.99 0.04 -1.26 -2.84 135.00 133.30 1uhf s PRO 55 Ca 0.04 1.47 0.12 0.00 0.04 0.00 0.00 61.00 62.67 1uhf s PRO 55 Cb -0.02 -3.84 0.54 0.00 0.04 0.00 0.00 34.50 31.21 1uhf s PRO 55 CO -0.08 -0.95 1.35 -1.13 0.04 0.00 0.00 177.00 176.23 1uhf n SER 56 N 7.23 0.00 -0.49 6.66 3.41 -1.14 -0.69 113.62 128.59 1uhf n SER 56 Ca 0.15 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1uhf n SER 56 Cb 0.46 -0.43 0.37 0.00 -0.26 0.00 0.00 64.21 64.34 1uhf n SER 56 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1uhf n ASN 57 N -1.43 1.66 -0.66 4.04 6.94 -1.26 -3.65 115.26 120.90 1uhf n ASN 57 Ca 0.04 -1.41 0.06 0.00 -0.02 0.00 0.00 54.58 53.24 1uhf n ASN 57 Cb 0.12 0.08 0.16 0.00 -2.36 0.00 0.00 39.78 37.78 1uhf n ASN 57 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1uhf n TYR 58 N 0.12 0.50 -4.05 -2.53 4.02 0.13 -4.97 117.16 110.37 1uhf n TYR 58 Ca 0.15 -0.52 -0.12 0.00 -0.01 0.00 0.00 57.90 57.40 1uhf n TYR 58 Cb 0.40 -0.04 -0.12 0.00 -0.02 0.00 0.00 39.34 39.56 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 -1.11 0.43 0.25 -0.72 -7.23 -1.24 -0.71 120.40 110.07 1uhf s VAL 59 Ca 0.24 -0.93 0.11 0.00 -1.81 0.00 0.00 61.98 59.59 1uhf s VAL 59 Cb 0.13 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 1uhf s VAL 59 CO 0.15 -0.35 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.81 1uhf s LYS 60 N -1.37 1.59 -0.30 4.82 -2.85 -0.24 -4.90 119.74 116.48 1uhf s LYS 60 Ca -0.10 -1.68 -0.29 0.00 -1.00 0.00 0.00 55.97 52.90 1uhf s LYS 60 Cb -0.09 -1.69 -0.00 0.00 -2.06 0.00 0.00 37.83 33.99 1uhf s LYS 60 CO 0.00 0.33 1.35 -1.25 0.10 0.00 0.00 175.35 175.88 1uhf s PRO 61 N -3.31 3.86 -0.80 1.78 0.04 -1.26 -0.12 135.00 135.20 1uhf s PRO 61 Ca 0.26 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 1uhf s PRO 61 Cb -0.05 -3.91 -0.18 0.00 0.04 0.00 0.00 34.50 30.40 1uhf s PRO 61 CO 0.13 -1.19 2.46 1.17 0.04 0.00 0.00 177.00 179.60 1uhf n LYS 62 N 7.45 0.44 -2.86 4.56 4.81 -0.70 -4.84 118.16 127.01 1uhf n LYS 62 Ca 0.15 -0.16 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1uhf n LYS 62 Cb 0.47 -2.45 -0.04 0.00 0.02 0.00 0.00 35.03 33.03 1uhf n LYS 62 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1uhf s ASP 63 N 8.84 6.74 -0.28 3.14 1.11 -1.26 -4.98 116.67 129.99 1uhf s ASP 63 Ca 1.15 0.78 -0.01 0.00 0.18 0.00 0.00 52.55 54.65 1uhf s ASP 63 Cb -0.63 -2.44 0.13 0.00 1.07 0.00 0.00 42.92 41.04 1uhf s ASP 63 CO 0.36 -0.68 0.28 -0.55 1.18 0.00 0.00 175.17 175.76 1uhf s SER 64 N 1.61 1.65 0.00 0.27 0.15 -1.26 -5.12 113.70 110.99 1uhf s SER 64 Ca 0.36 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1uhf s SER 64 Cb -0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1uhf s SER 64 CO 0.13 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1uhf n GLY 65 N 5.31 0.77 3.69 9.45 0.00 -1.26 -4.95 105.19 118.20 1uhf n GLY 65 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.79 4.35 -0.43 1.61 0.04 -1.26 -4.97 135.00 135.13 1uhf s PRO 66 Ca 0.00 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1uhf s PRO 66 Cb 0.00 -3.54 0.17 0.00 0.04 0.00 0.00 34.50 31.17 1uhf s PRO 66 CO 0.00 -0.44 0.49 0.45 0.04 0.00 0.00 177.00 177.54 1uhf s SER 67 N 1.47 0.24 0.17 6.66 0.15 -1.26 -4.98 113.70 116.16 1uhf s SER 67 Ca 0.57 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1uhf s SER 67 Cb -0.26 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1uhf s SER 67 CO 0.23 -0.17 0.00 -0.24 1.20 0.00 0.00 173.24 174.26 1uhf n SER 68 N 3.51 0.32 0.00 5.45 2.88 -1.26 -5.27 113.62 119.26 1uhf n SER 68 Ca 0.18 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1uhf n SER 68 Cb 0.50 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42