#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 6.40 -0.30 1.61 0.15 -1.26 -4.92 113.70 115.39 1uhf s SER 2 Ca 0.00 -1.58 -0.16 0.00 0.70 0.00 0.00 55.95 54.91 1uhf s SER 2 Cb 0.00 -2.39 0.16 0.00 -1.71 0.00 0.00 66.02 62.09 1uhf s SER 2 CO 0.00 -1.20 1.03 -0.55 1.20 0.00 0.00 173.24 173.72 1uhf s SER 3 N 3.62 -0.46 0.00 5.45 0.15 -1.26 -5.16 113.70 116.04 1uhf s SER 3 Ca 0.25 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1uhf s SER 3 Cb -0.12 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1uhf s SER 3 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1uhf n GLY 4 N 4.24 -0.68 3.06 9.45 0.00 -1.26 -5.16 105.19 114.84 1uhf n GLY 4 Ca -0.14 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1uhf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhf s SER 5 N -4.00 0.20 -0.30 1.61 1.04 -1.26 -5.14 113.70 105.85 1uhf s SER 5 Ca 0.00 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 1uhf s SER 5 Cb 0.00 0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.48 1uhf s SER 5 CO 0.00 -0.41 0.77 -0.55 0.98 0.00 0.00 173.24 174.03 1uhf s SER 6 N -1.81 -1.03 -0.56 7.02 0.15 -1.26 -5.06 113.70 111.15 1uhf s SER 6 Ca -0.10 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.27 1uhf s SER 6 Cb -0.05 1.88 0.38 0.00 -1.71 0.00 0.00 66.02 66.52 1uhf s SER 6 CO -0.03 -0.19 1.15 0.61 1.20 0.00 0.00 173.24 175.98 1uhf n GLY 7 N 5.44 5.83 3.25 9.45 0.00 -1.26 -5.03 105.19 122.87 1uhf n GLY 7 Ca -0.04 -2.75 -0.26 0.00 0.00 0.00 0.00 46.02 42.97 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 -3.23 1.11 -0.22 -0.02 0.00 -1.26 -4.74 107.32 98.95 1uhf s GLY 8 Ca 0.48 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 1uhf s GLY 8 CO -0.18 -0.93 0.01 -0.54 0.00 0.00 0.00 173.10 171.46 1uhf s GLU 9 N -1.01 3.56 0.16 2.90 2.02 -0.28 -4.95 118.70 121.10 1uhf s GLU 9 Ca 0.08 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 1uhf s GLU 9 Cb -0.09 -3.14 -0.08 0.00 0.10 0.00 0.00 34.13 30.93 1uhf s GLU 9 CO 0.01 -0.12 1.22 -1.21 0.02 0.00 0.00 175.26 175.18 1uhf s GLU 10 N 1.34 4.47 0.01 1.61 2.02 -1.26 -2.22 118.70 124.67 1uhf s GLU 10 Ca 0.04 1.88 0.02 0.00 0.02 0.00 0.00 54.97 56.93 1uhf s GLU 10 Cb -0.15 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 1uhf s GLU 10 CO 0.01 -0.15 -0.06 0.71 0.02 0.00 0.00 175.26 175.79 1uhf s TYR 11 N 0.21 0.54 -0.14 1.61 2.02 -0.59 -1.65 117.35 119.35 1uhf s TYR 11 Ca 0.55 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.93 1uhf s TYR 11 Cb -0.33 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1uhf s TYR 11 CO 0.35 -0.04 0.12 0.42 -1.57 0.00 0.00 175.55 174.84 1uhf s ILE 12 N -0.59 5.38 -0.20 2.71 -1.09 0.22 -1.15 121.20 126.47 1uhf s ILE 12 Ca -0.02 0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.27 1uhf s ILE 12 Cb -0.05 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1uhf s ILE 12 CO 0.00 0.57 1.13 0.00 -1.23 0.00 0.00 174.94 175.41 1uhf s ALA 13 N -0.62 3.67 -0.06 9.38 0.00 -0.57 -0.48 121.76 133.09 1uhf s ALA 13 Ca 0.13 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 1uhf s ALA 13 Cb -0.12 -3.58 -0.22 0.00 0.00 0.00 0.00 23.12 19.20 1uhf s ALA 13 CO 0.02 -1.09 1.08 -0.07 0.00 0.00 0.00 175.76 175.70 1uhf h LEU 14 N 9.53 0.05 -8.70 0.00 3.38 -1.85 0.56 115.31 118.29 1uhf h LEU 14 Ca -0.22 -0.69 -0.45 0.00 0.09 0.00 0.00 57.88 56.61 1uhf h LEU 14 Cb 1.08 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 1uhf h LEU 14 CO 0.97 0.73 -0.76 -0.31 0.09 0.00 0.00 178.44 179.17 1uhf s TYR 15 N -3.45 1.55 -0.24 1.13 1.51 -1.26 -4.66 117.35 111.93 1uhf s TYR 15 Ca -0.17 -0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 55.06 1uhf s TYR 15 Cb 0.00 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1uhf s TYR 15 CO 0.69 0.21 1.32 -1.25 -1.11 0.00 0.00 175.55 175.41 1uhf s PRO 16 N -2.82 4.03 -0.26 -1.71 0.04 -1.26 -4.20 135.00 128.81 1uhf s PRO 16 Ca 0.12 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1uhf s PRO 16 Cb -0.05 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.65 1uhf s PRO 16 CO 0.04 -0.98 0.02 -0.47 0.04 0.00 0.00 177.00 175.65 1uhf s TYR 17 N 4.12 3.08 -0.14 0.56 6.14 0.10 -4.88 117.35 126.33 1uhf s TYR 17 Ca 0.57 -1.10 -0.02 0.00 0.64 0.00 0.00 57.07 57.17 1uhf s TYR 17 Cb -0.19 -2.17 -0.02 0.00 0.42 0.00 0.00 41.96 40.00 1uhf s TYR 17 CO 0.20 -0.60 -0.09 -1.12 0.64 0.00 0.00 175.55 174.59 1uhf s SER 18 N 1.45 4.38 -0.06 4.32 0.01 -1.26 -1.92 113.70 120.62 1uhf s SER 18 Ca 0.03 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.10 1uhf s SER 18 Cb -0.16 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 1uhf s SER 18 CO -0.01 0.18 -0.17 -0.44 0.41 0.00 0.00 173.24 173.21 1uhf s SER 19 N 0.31 3.74 0.00 2.44 0.01 -1.26 -4.98 113.70 113.95 1uhf s SER 19 Ca -0.07 -0.31 0.29 0.00 1.31 0.00 0.00 55.95 57.17 1uhf s SER 19 Cb -0.15 -0.91 1.52 0.00 0.21 0.00 0.00 66.02 66.69 1uhf s SER 19 CO 0.04 0.29 2.02 1.33 0.41 0.00 0.00 173.24 177.34 1uhf n VAL 20 N 2.64 0.05 -4.45 3.43 0.24 -1.26 -4.75 118.33 114.23 1uhf n VAL 20 Ca -0.17 0.01 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1uhf n VAL 20 Cb 0.52 -0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.45 2.77 0.00 7.34 0.41 -1.26 -4.98 118.70 120.52 1uhf s GLU 21 Ca 0.31 -0.57 0.23 0.00 -0.41 0.00 0.00 54.97 54.53 1uhf s GLU 21 Cb 0.20 -2.64 1.39 0.00 -1.78 0.00 0.00 34.13 31.30 1uhf s GLU 21 CO 0.42 0.65 1.77 -0.35 -0.49 0.00 0.00 175.26 177.26 1uhf n PRO 22 N 1.86 0.75 -0.00 0.39 -0.04 -1.26 -3.06 135.00 133.64 1uhf n PRO 22 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1uhf n PRO 22 Cb 0.53 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 3.79 0.23 -4.25 0.55 0.00 -1.94 -3.46 103.07 98.00 1uhf h GLY 23 Ca 0.00 -0.60 -0.53 0.00 0.00 0.00 0.00 47.33 46.21 1uhf h GLY 23 CO 0.00 0.52 0.41 -0.35 0.00 0.00 0.00 176.54 177.12 1uhf s ASP 24 N -6.89 7.37 -0.14 0.19 -1.08 -1.17 -2.32 116.67 112.63 1uhf s ASP 24 Ca -0.19 1.83 -0.29 0.00 -0.52 0.00 0.00 52.55 53.38 1uhf s ASP 24 Cb 0.02 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1uhf s ASP 24 CO 0.76 -0.20 1.61 -0.22 0.52 0.00 0.00 175.17 177.63 1uhf s LEU 25 N 0.40 4.12 -0.20 -1.34 2.96 0.39 -4.72 118.68 120.30 1uhf s LEU 25 Ca 0.50 1.93 -0.18 0.00 -0.22 0.00 0.00 54.13 56.16 1uhf s LEU 25 Cb -0.24 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1uhf s LEU 25 CO 0.30 -1.06 0.50 0.42 -1.32 0.00 0.00 176.35 175.19 1uhf s THR 26 N 4.52 5.12 0.16 3.68 -4.23 -1.26 -4.82 115.64 118.80 1uhf s THR 26 Ca 0.71 0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 62.03 1uhf s THR 26 Cb -0.29 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.73 1uhf s THR 26 CO 0.28 0.19 0.34 0.72 -0.54 0.00 0.00 174.62 175.60 1uhf s PHE 27 N 1.58 0.18 0.53 3.99 -0.12 -0.81 -5.04 117.98 118.30 1uhf s PHE 27 Ca 0.23 -0.55 0.07 0.00 -0.05 0.00 0.00 56.93 56.64 1uhf s PHE 27 Cb -0.15 0.08 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1uhf s PHE 27 CO 0.09 -0.74 0.52 0.95 -0.05 0.00 0.00 175.22 176.00 1uhf s THR 28 N -3.91 1.97 -0.01 -4.49 -4.23 -1.26 -0.72 115.64 102.98 1uhf s THR 28 Ca 0.12 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 1uhf s THR 28 Cb 0.02 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1uhf s THR 28 CO -0.03 0.00 1.23 -0.70 -0.54 0.00 0.00 174.62 174.58 1uhf s GLU 29 N -4.38 4.37 0.00 3.99 -6.30 -1.26 -2.68 118.70 112.44 1uhf s GLU 29 Ca 0.45 1.75 0.00 0.00 -2.50 0.00 0.00 54.97 54.67 1uhf s GLU 29 Cb -0.04 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.61 1uhf s GLU 29 CO 0.28 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1uhf n GLY 30 N 3.36 3.00 3.73 -1.50 0.00 0.19 -4.92 105.19 109.04 1uhf n GLY 30 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1uhf n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uhf s GLU 31 N -0.68 2.58 -0.48 1.61 0.41 -1.09 -4.60 118.70 116.44 1uhf s GLU 31 Ca 0.00 2.01 -0.14 0.00 -0.41 0.00 0.00 54.97 56.43 1uhf s GLU 31 Cb 0.00 -1.86 0.09 0.00 -1.78 0.00 0.00 34.13 30.59 1uhf s GLU 31 CO 0.00 -1.56 0.40 -1.21 -0.49 0.00 0.00 175.26 172.40 1uhf s GLU 32 N -3.41 2.89 -0.18 1.61 2.02 -1.26 -1.51 118.70 118.85 1uhf s GLU 32 Ca 0.81 -1.50 -0.16 0.00 0.02 0.00 0.00 54.97 54.15 1uhf s GLU 32 Cb -0.36 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 29.72 1uhf s GLU 32 CO 0.39 -1.11 0.39 0.42 0.02 0.00 0.00 175.26 175.37 1uhf s ILE 33 N 1.58 5.22 -0.54 -1.63 1.01 -0.30 -4.81 121.20 121.73 1uhf s ILE 33 Ca 0.04 0.70 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 1uhf s ILE 33 Cb -0.26 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.59 1uhf s ILE 33 CO 0.04 0.29 0.59 -0.22 0.00 0.00 0.00 174.94 175.64 1uhf s LEU 34 N 1.05 5.56 0.14 2.97 2.96 0.26 -1.54 118.68 130.07 1uhf s LEU 34 Ca 0.19 -1.41 -0.28 0.00 -0.22 0.00 0.00 54.13 52.41 1uhf s LEU 34 Cb -0.14 -2.29 -0.07 0.00 0.50 0.00 0.00 46.19 44.19 1uhf s LEU 34 CO 0.07 -0.93 0.89 -0.69 -1.32 0.00 0.00 176.35 174.37 1uhf s VAL 35 N 2.23 4.43 0.00 1.68 1.01 -0.94 -0.67 120.40 128.13 1uhf s VAL 35 Ca 0.09 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1uhf s VAL 35 Cb -0.25 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1uhf s VAL 35 CO 0.06 0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.92 1uhf n THR 36 N 2.30 0.00 -3.93 3.92 -2.24 -1.04 -1.12 114.28 112.16 1uhf n THR 36 Ca -0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1uhf n THR 36 Cb 0.49 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.74 3.25 -0.36 -0.78 -0.21 -1.22 -4.91 119.66 113.70 1uhf s GLN 37 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 1uhf s GLN 37 Cb 0.00 -2.97 0.09 0.00 1.00 0.00 0.00 33.01 31.13 1uhf s GLN 37 CO 0.00 -0.23 0.11 0.15 -2.12 0.00 0.00 175.29 173.20 1uhf s LYS 38 N 1.44 2.01 -0.30 2.91 1.02 -1.26 0.18 119.74 125.74 1uhf s LYS 38 Ca 0.05 -1.68 0.01 0.00 0.02 0.00 0.00 55.97 54.37 1uhf s LYS 38 Cb -0.14 -3.38 0.07 0.00 -0.52 0.00 0.00 37.83 33.85 1uhf s LYS 38 CO -0.04 -0.91 -0.01 -0.51 -0.92 0.00 0.00 175.35 172.95 1uhf s ASP 39 N 1.47 4.75 0.25 2.83 1.11 -1.21 -4.99 116.67 120.88 1uhf s ASP 39 Ca 0.05 -1.51 0.00 0.00 0.18 0.00 0.00 52.55 51.27 1uhf s ASP 39 Cb -0.21 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.12 1uhf s ASP 39 CO -0.04 -0.28 0.00 0.61 1.18 0.00 0.00 175.17 176.64 1uhf n GLY 40 N 4.50 0.60 0.15 0.21 0.00 -1.26 -3.77 105.19 105.62 1uhf n GLY 40 Ca -0.10 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 1uhf n GLY 40 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uhf h GLU 41 N 0.00 0.43 -6.06 1.61 4.39 -1.98 -3.43 114.58 109.54 1uhf h GLU 41 Ca 0.00 -0.43 -0.56 0.00 0.34 0.00 0.00 59.36 58.71 1uhf h GLU 41 Cb 0.00 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1uhf h GLU 41 CO 0.00 1.09 0.05 -1.58 -1.16 0.00 0.00 179.01 177.40 1uhf s TRP 42 N -3.33 3.63 0.32 4.33 0.52 -1.25 -3.65 118.94 119.51 1uhf s TRP 42 Ca -0.13 1.24 0.09 0.00 0.02 0.00 0.00 56.10 57.32 1uhf s TRP 42 Cb 0.04 -2.72 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 1uhf s TRP 42 CO 0.82 0.21 0.04 -1.58 0.02 0.00 0.00 176.95 176.46 1uhf s TRP 43 N 0.34 2.63 -0.33 -1.98 0.51 -1.16 -3.31 118.94 115.64 1uhf s TRP 43 Ca 0.35 -0.36 -0.17 0.00 -2.12 0.00 0.00 56.10 53.80 1uhf s TRP 43 Cb -0.18 -1.45 -0.01 0.00 -0.81 0.00 0.00 33.47 31.02 1uhf s TRP 43 CO 0.18 0.47 0.44 0.99 -0.51 0.00 0.00 176.95 178.52 1uhf s THR 44 N -2.44 5.10 0.37 2.01 2.01 0.49 -2.57 115.64 120.60 1uhf s THR 44 Ca 0.35 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.70 1uhf s THR 44 Cb -0.03 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 1uhf s THR 44 CO 0.20 -0.11 0.51 -0.83 -0.69 0.00 0.00 174.62 173.70 1uhf s GLY 45 N 1.72 1.74 0.00 4.40 0.00 -0.76 -2.50 107.32 111.93 1uhf s GLY 45 Ca 0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 1uhf s GLY 45 CO 0.12 -1.43 0.04 -0.45 0.00 0.00 0.00 173.10 171.39 1uhf s SER 46 N -4.24 0.09 -0.17 1.64 0.15 0.15 -2.92 113.70 108.40 1uhf s SER 46 Ca 0.49 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 1uhf s SER 46 Cb -0.10 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.41 1uhf s SER 46 CO 0.32 -0.23 0.07 -0.63 1.20 0.00 0.00 173.24 173.97 1uhf s ILE 47 N -0.96 0.08 0.00 6.45 1.01 -1.09 -0.57 121.20 126.10 1uhf s ILE 47 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1uhf s ILE 47 Cb -0.06 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1uhf s ILE 47 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1uhf n GLY 48 N 5.22 0.31 0.76 6.18 0.00 -1.26 -0.25 105.19 116.15 1uhf n GLY 48 Ca -0.07 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 1.18 -0.10 -4.86 1.61 -0.08 -1.26 -5.12 116.55 107.93 1uhf n ASP 49 Ca 0.00 -1.62 -0.21 0.00 -1.51 0.00 0.00 54.79 51.45 1uhf n ASP 49 Cb 0.00 -0.02 -0.04 0.00 2.34 0.00 0.00 41.12 43.41 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 2.93 -0.07 -0.67 0.52 0.65 -5.13 118.95 117.18 1uhf s ARG 50 Ca 0.05 -1.09 -0.09 0.00 -0.52 0.00 0.00 55.73 54.07 1uhf s ARG 50 Cb 0.06 -2.58 0.02 0.00 0.52 0.00 0.00 34.95 32.96 1uhf s ARG 50 CO -0.02 0.30 0.24 -1.54 0.02 0.00 0.00 175.30 174.30 1uhf s SER 51 N -3.92 -0.21 0.00 0.23 1.04 -1.26 -2.69 113.70 106.89 1uhf s SER 51 Ca 0.36 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1uhf s SER 51 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1uhf s SER 51 CO 0.26 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1uhf n GLY 52 N 2.51 -1.04 3.91 7.32 0.00 -1.15 -4.68 105.19 112.06 1uhf n GLY 52 Ca -0.15 -1.04 -0.23 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 5.00 0.15 -0.61 -4.36 -0.98 -1.83 121.20 116.57 1uhf s ILE 53 Ca 0.00 -1.04 -0.24 0.00 -0.26 0.00 0.00 60.65 59.12 1uhf s ILE 53 Cb 0.00 -3.67 0.07 0.00 1.25 0.00 0.00 42.46 40.11 1uhf s ILE 53 CO 0.00 -0.26 0.67 0.72 0.24 0.00 0.00 174.94 176.31 1uhf s PHE 54 N -1.94 -0.45 -0.22 1.37 -0.12 -1.06 -0.46 117.98 115.10 1uhf s PHE 54 Ca 0.34 0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 57.13 1uhf s PHE 54 Cb -0.09 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1uhf s PHE 54 CO 0.27 -0.86 1.31 -1.25 -0.05 0.00 0.00 175.22 174.64 1uhf s PRO 55 N -3.67 4.08 0.05 1.99 0.04 -1.26 -2.98 135.00 133.25 1uhf s PRO 55 Ca 0.03 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.69 1uhf s PRO 55 Cb -0.02 -3.83 0.46 0.00 0.04 0.00 0.00 34.50 31.15 1uhf s PRO 55 CO -0.09 -0.91 1.33 -1.13 0.04 0.00 0.00 177.00 176.24 1uhf n SER 56 N 7.13 0.10 -0.59 6.66 3.41 -1.24 -0.32 113.62 128.77 1uhf n SER 56 Ca 0.15 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1uhf n SER 56 Cb 0.45 -0.55 0.40 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.62 1.78 -0.35 4.04 3.02 -1.26 -3.65 115.26 117.23 1uhf n ASN 57 Ca 0.02 -1.67 0.08 0.00 -0.03 0.00 0.00 54.58 52.98 1uhf n ASN 57 Cb 0.10 -0.07 0.17 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.39 0.07 -3.80 3.10 4.02 0.57 -5.00 117.16 116.52 1uhf n TYR 58 Ca 0.17 -1.22 -0.13 0.00 -0.01 0.00 0.00 57.90 56.72 1uhf n TYR 58 Cb 0.37 -0.21 -0.12 0.00 -0.02 0.00 0.00 39.34 39.36 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 -3.04 0.01 0.25 -0.72 -7.23 -1.24 -2.81 120.40 105.62 1uhf s VAL 59 Ca 0.35 -0.05 0.11 0.00 -1.81 0.00 0.00 61.98 60.58 1uhf s VAL 59 Cb 0.32 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.89 1uhf s VAL 59 CO -0.01 -0.03 -0.15 -1.59 -0.31 0.00 0.00 175.10 173.01 1uhf s LYS 60 N 0.00 1.84 -0.18 4.82 -2.85 0.37 -4.90 119.74 118.85 1uhf s LYS 60 Ca -0.01 -1.58 -0.29 0.00 -1.00 0.00 0.00 55.97 53.09 1uhf s LYS 60 Cb -0.02 -1.92 -0.01 0.00 -2.06 0.00 0.00 37.83 33.81 1uhf s LYS 60 CO 0.00 0.36 1.28 -1.25 0.10 0.00 0.00 175.35 175.85 1uhf s PRO 61 N -3.30 4.19 -0.71 1.78 0.04 -1.26 0.69 135.00 136.43 1uhf s PRO 61 Ca 0.28 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 1uhf s PRO 61 Cb -0.06 -3.79 -0.14 0.00 0.04 0.00 0.00 34.50 30.55 1uhf s PRO 61 CO 0.15 -0.77 2.47 1.17 0.04 0.00 0.00 177.00 180.06 1uhf n LYS 62 N 6.72 0.62 -2.57 4.56 4.81 -0.66 -3.55 118.16 128.08 1uhf n LYS 62 Ca 0.14 -0.15 -0.04 0.00 -0.87 0.00 0.00 58.31 57.38 1uhf n LYS 62 Cb 0.45 -2.82 -0.04 0.00 0.02 0.00 0.00 35.03 32.64 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 14.27 -2.45 -4.66 3.14 -0.08 -1.26 -4.69 116.55 120.82 1uhf n ASP 63 Ca 0.48 1.44 -0.43 0.00 -1.51 0.00 0.00 54.79 54.77 1uhf n ASP 63 Cb 0.37 -5.04 -0.02 0.00 2.34 0.00 0.00 41.12 38.77 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 -0.61 6.90 0.00 1.67 0.15 -1.23 -4.55 113.70 116.03 1uhf s SER 64 Ca -0.22 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1uhf s SER 64 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1uhf s SER 64 CO 0.59 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1uhf n GLY 65 N 3.70 3.34 0.10 9.45 0.00 -1.26 -5.03 105.19 115.49 1uhf n GLY 65 Ca 0.14 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1uhf n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhf h PRO 66 N 0.00 0.20 -5.64 1.61 0.13 -1.98 -3.27 132.00 123.05 1uhf h PRO 66 Ca 0.00 -0.19 -0.35 0.00 -0.87 0.00 0.00 66.00 64.58 1uhf h PRO 66 Cb 0.00 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1uhf h PRO 66 CO 0.00 0.90 1.14 -1.12 -0.23 0.00 0.00 178.00 178.69 1uhf s SER 67 N -6.30 4.55 -0.36 1.44 0.01 -1.26 -3.67 113.70 108.10 1uhf s SER 67 Ca -0.15 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.45 1uhf s SER 67 Cb 0.01 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.75 1uhf s SER 67 CO 0.75 -2.99 0.45 -1.20 0.41 0.00 0.00 173.24 170.65 1uhf n SER 68 N 15.72 -7.07 0.00 2.44 7.64 -1.26 -5.10 113.62 125.98 1uhf n SER 68 Ca 0.36 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1uhf n SER 68 Cb 0.51 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64