#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 -5.02 -4.65 1.61 7.64 -1.26 -5.01 113.62 106.94 1uhf n SER 2 Ca 0.00 1.59 -0.32 0.00 1.01 0.00 0.00 58.87 61.16 1uhf n SER 2 Cb 0.00 -5.03 -0.09 0.00 -1.01 0.00 0.00 64.21 58.08 1uhf n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uhf s SER 3 N -0.59 4.89 0.00 6.43 0.15 -1.26 -5.08 113.70 118.24 1uhf s SER 3 Ca -0.13 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1uhf s SER 3 Cb 0.01 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1uhf s SER 3 CO 0.36 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1uhf n GLY 4 N 1.15 3.50 2.98 9.45 0.00 -1.26 -5.17 105.19 115.84 1uhf n GLY 4 Ca -0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 0.54 0.04 1.61 0.01 -1.26 -5.07 113.70 109.57 1uhf s SER 5 Ca 0.00 -0.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 1uhf s SER 5 Cb 0.00 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1uhf s SER 5 CO 0.00 -0.11 -0.06 -1.20 0.41 0.00 0.00 173.24 172.28 1uhf n SER 6 N 2.20 1.13 0.00 2.44 7.64 -1.26 -5.09 113.62 120.68 1uhf n SER 6 Ca -0.18 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1uhf n SER 6 Cb 0.57 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 3.08 -0.10 3.28 0.23 0.00 -1.26 -5.18 105.19 105.25 1uhf n GLY 7 Ca -0.03 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 1.21 -0.22 -0.02 0.00 -1.26 -4.63 107.32 102.40 1uhf s GLY 8 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 1uhf s GLY 8 CO 0.00 -1.22 -0.01 -0.54 0.00 0.00 0.00 173.10 171.32 1uhf s GLU 9 N -1.86 3.47 -0.17 2.90 2.02 0.25 -4.90 118.70 120.41 1uhf s GLU 9 Ca 0.06 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 1uhf s GLU 9 Cb -0.10 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 1uhf s GLU 9 CO 0.04 -0.16 1.25 -1.21 0.02 0.00 0.00 175.26 175.20 1uhf s GLU 10 N 1.43 4.23 0.03 1.61 8.01 -1.26 -0.60 118.70 132.14 1uhf s GLU 10 Ca 0.05 1.63 0.06 0.00 0.01 0.00 0.00 54.97 56.73 1uhf s GLU 10 Cb -0.14 -3.76 -0.02 0.00 -4.31 0.00 0.00 34.13 25.89 1uhf s GLU 10 CO -0.01 -0.71 -0.18 0.71 0.01 0.00 0.00 175.26 175.08 1uhf s TYR 11 N 3.50 1.60 -0.13 1.61 2.02 -0.48 -1.06 117.35 124.41 1uhf s TYR 11 Ca 0.54 -0.36 -0.07 0.00 -0.37 0.00 0.00 57.07 56.82 1uhf s TYR 11 Cb -0.21 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1uhf s TYR 11 CO 0.14 0.06 0.11 0.42 -1.57 0.00 0.00 175.55 174.71 1uhf s ILE 12 N -0.76 5.27 -0.52 2.71 -1.09 0.39 -1.15 121.20 126.06 1uhf s ILE 12 Ca 0.06 0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 1uhf s ILE 12 Cb -0.08 -3.31 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 1uhf s ILE 12 CO 0.01 0.57 1.30 0.00 -1.23 0.00 0.00 174.94 175.59 1uhf s ALA 13 N -0.65 2.98 0.06 9.38 0.00 -0.74 0.13 121.76 132.93 1uhf s ALA 13 Ca 0.13 -0.56 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 1uhf s ALA 13 Cb -0.12 -4.01 -0.17 0.00 0.00 0.00 0.00 23.12 18.83 1uhf s ALA 13 CO 0.02 -2.61 1.61 -0.07 0.00 0.00 0.00 175.76 174.71 1uhf h LEU 14 N 12.20 -0.24 -8.69 0.00 3.38 -1.81 -0.70 115.31 119.44 1uhf h LEU 14 Ca -0.26 -0.06 -0.40 0.00 0.09 0.00 0.00 57.88 57.25 1uhf h LEU 14 Cb 1.08 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.73 1uhf h LEU 14 CO 1.15 -0.10 -0.74 -0.31 0.09 0.00 0.00 178.44 178.53 1uhf s TYR 15 N -5.79 1.45 -0.15 1.13 1.51 -1.26 -4.65 117.35 109.58 1uhf s TYR 15 Ca -0.15 -0.61 -0.29 0.00 -1.01 0.00 0.00 57.07 55.01 1uhf s TYR 15 Cb 0.04 -0.73 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1uhf s TYR 15 CO 0.64 0.18 1.27 -1.25 -1.11 0.00 0.00 175.55 175.28 1uhf s PRO 16 N -3.22 4.24 -0.26 -1.71 0.04 -1.26 -4.22 135.00 128.62 1uhf s PRO 16 Ca 0.15 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1uhf s PRO 16 Cb -0.02 -3.74 0.01 0.00 0.04 0.00 0.00 34.50 30.79 1uhf s PRO 16 CO 0.03 -0.68 -0.01 -0.47 0.04 0.00 0.00 177.00 175.91 1uhf s TYR 17 N 3.36 3.07 -0.08 0.56 5.04 -0.17 -4.89 117.35 124.23 1uhf s TYR 17 Ca 0.55 -1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 53.93 1uhf s TYR 17 Cb -0.22 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.92 1uhf s TYR 17 CO 0.16 -0.64 0.06 -1.54 -1.34 0.00 0.00 175.55 172.25 1uhf s SER 18 N 1.42 5.66 0.14 4.32 1.04 -1.26 -2.83 113.70 122.18 1uhf s SER 18 Ca 0.02 0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.77 1uhf s SER 18 Cb -0.16 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 1uhf s SER 18 CO -0.02 0.37 -0.17 -0.44 0.98 0.00 0.00 173.24 173.96 1uhf s SER 19 N -1.09 2.40 0.09 7.02 0.01 -1.26 -5.03 113.70 115.84 1uhf s SER 19 Ca 0.16 -0.82 0.23 0.00 1.31 0.00 0.00 55.95 56.83 1uhf s SER 19 Cb -0.12 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.01 1uhf s SER 19 CO 0.05 -0.06 1.00 1.33 0.41 0.00 0.00 173.24 175.96 1uhf n VAL 20 N 0.49 0.29 -3.94 3.43 0.24 -1.26 -4.88 118.33 112.70 1uhf n VAL 20 Ca -0.15 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.34 61.43 1uhf n VAL 20 Cb 0.57 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 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 -3.28 3.42 0.00 7.34 2.02 -1.26 -4.97 118.70 121.98 1uhf s GLU 21 Ca 0.01 -0.18 0.24 0.00 0.02 0.00 0.00 54.97 55.07 1uhf s GLU 21 Cb 0.13 -3.15 1.44 0.00 0.10 0.00 0.00 34.13 32.65 1uhf s GLU 21 CO 0.80 0.74 1.80 -0.35 0.02 0.00 0.00 175.26 178.27 1uhf n PRO 22 N 2.10 0.75 0.12 0.39 -0.04 -1.26 -2.90 135.00 134.17 1uhf n PRO 22 Ca -0.20 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.04 1uhf n PRO 22 Cb 0.55 -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 0.53 -3.57 0.55 0.00 -1.95 -3.45 103.07 98.94 1uhf h GLY 23 Ca 0.00 -1.34 -0.49 0.00 0.00 0.00 0.00 47.33 45.50 1uhf h GLY 23 CO 0.00 1.18 0.36 -0.35 0.00 0.00 0.00 176.54 177.73 1uhf s ASP 24 N -7.43 7.52 -0.45 0.19 -1.08 -1.14 -2.34 116.67 111.93 1uhf s ASP 24 Ca -0.09 1.96 -0.29 0.00 -0.52 0.00 0.00 52.55 53.61 1uhf s ASP 24 Cb 0.05 -2.60 0.02 0.00 -1.46 0.00 0.00 42.92 38.93 1uhf s ASP 24 CO 0.92 0.06 1.26 -0.22 0.52 0.00 0.00 175.17 177.71 1uhf s LEU 25 N -1.44 3.61 -0.11 -1.34 2.96 0.52 -4.70 118.68 118.19 1uhf s LEU 25 Ca 0.44 0.62 -0.23 0.00 -0.22 0.00 0.00 54.13 54.73 1uhf s LEU 25 Cb -0.25 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1uhf s LEU 25 CO 0.31 -1.34 0.72 0.42 -1.32 0.00 0.00 176.35 175.14 1uhf s THR 26 N 4.90 5.01 0.11 3.68 -4.23 -1.26 -4.78 115.64 119.06 1uhf s THR 26 Ca 0.54 1.45 -0.11 0.00 -1.18 0.00 0.00 61.69 62.38 1uhf s THR 26 Cb -0.10 -4.05 0.01 0.00 1.34 0.00 0.00 72.50 69.70 1uhf s THR 26 CO 0.32 0.18 0.28 0.72 -0.54 0.00 0.00 174.62 175.58 1uhf s PHE 27 N 1.25 0.03 0.44 3.99 -0.12 -1.13 -5.06 117.98 117.38 1uhf s PHE 27 Ca 0.36 -0.42 0.07 0.00 -0.05 0.00 0.00 56.93 56.90 1uhf s PHE 27 Cb -0.17 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1uhf s PHE 27 CO 0.16 -0.62 0.36 0.95 -0.05 0.00 0.00 175.22 176.02 1uhf s THR 28 N -3.85 2.46 0.13 -4.49 -4.23 -1.26 -1.00 115.64 103.40 1uhf s THR 28 Ca 0.05 -1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 58.84 1uhf s THR 28 Cb 0.04 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 1uhf s THR 28 CO -0.11 0.00 1.53 -0.70 -0.54 0.00 0.00 174.62 174.80 1uhf s GLU 29 N -4.13 4.24 0.00 3.99 -6.30 -1.26 -2.17 118.70 113.08 1uhf s GLU 29 Ca 0.45 2.26 0.00 0.00 -2.50 0.00 0.00 54.97 55.18 1uhf s GLU 29 Cb -0.02 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.83 1uhf s GLU 29 CO 0.26 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1uhf n GLY 30 N 3.72 2.31 3.59 -1.50 0.00 -0.27 -4.93 105.19 108.11 1uhf n GLY 30 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 0.39 -3.63 1.61 -0.58 -0.92 -4.64 120.64 112.63 1uhf n GLU 31 Ca 0.00 0.19 -0.40 0.00 -0.42 0.00 0.00 57.16 56.53 1uhf n GLU 31 Cb 0.00 -2.18 -0.10 0.00 -0.57 0.00 0.00 31.44 28.59 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 -3.39 2.55 -0.23 3.49 2.02 -1.26 -1.79 118.70 120.10 1uhf s GLU 32 Ca 0.71 -1.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.05 1uhf s GLU 32 Cb -0.33 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1uhf s GLU 32 CO 0.52 -0.96 0.43 0.42 0.02 0.00 0.00 175.26 175.70 1uhf s ILE 33 N 1.40 5.16 -0.50 -1.63 1.01 -0.30 -4.61 121.20 121.72 1uhf s ILE 33 Ca 0.03 0.74 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 1uhf s ILE 33 Cb -0.23 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.54 1uhf s ILE 33 CO 0.01 0.19 0.64 -0.22 0.00 0.00 0.00 174.94 175.56 1uhf s LEU 34 N 1.71 4.87 0.27 2.97 2.96 0.33 -1.38 118.68 130.41 1uhf s LEU 34 Ca 0.19 -0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 52.99 1uhf s LEU 34 Cb -0.15 -2.49 -0.09 0.00 0.50 0.00 0.00 46.19 43.95 1uhf s LEU 34 CO 0.09 -0.89 0.94 -0.69 -1.32 0.00 0.00 176.35 174.48 1uhf s VAL 35 N 2.71 4.11 0.00 1.68 1.01 0.23 -0.21 120.40 129.92 1uhf s VAL 35 Ca 0.16 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1uhf s VAL 35 Cb -0.18 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1uhf s VAL 35 CO 0.13 0.38 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1uhf n THR 36 N 1.17 0.00 -5.21 3.92 -2.24 -0.89 0.86 114.28 111.88 1uhf n THR 36 Ca -0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1uhf n THR 36 Cb 0.48 -0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.64 2.96 -0.38 -0.78 0.74 -1.23 -4.86 119.66 114.47 1uhf s GLN 37 Ca 0.00 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.51 1uhf s GLN 37 Cb 0.00 -2.26 0.10 0.00 1.10 0.00 0.00 33.01 31.94 1uhf s GLN 37 CO 0.00 0.20 0.16 0.15 -0.55 0.00 0.00 175.29 175.25 1uhf s LYS 38 N 0.29 2.10 -0.49 1.67 1.02 -1.26 0.20 119.74 123.28 1uhf s LYS 38 Ca -0.17 -1.69 -0.14 0.00 0.02 0.00 0.00 55.97 53.99 1uhf s LYS 38 Cb -0.17 -3.50 0.10 0.00 -0.52 0.00 0.00 37.83 33.73 1uhf s LYS 38 CO 0.08 -0.97 0.41 -0.51 -0.92 0.00 0.00 175.35 173.44 1uhf s ASP 39 N 1.69 6.06 1.84 2.83 1.01 -0.99 -4.94 116.67 124.17 1uhf s ASP 39 Ca 0.05 -1.57 0.00 0.00 0.71 0.00 0.00 52.55 51.75 1uhf s ASP 39 Cb -0.22 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1uhf s ASP 39 CO -0.03 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.25 1uhf n GLY 40 N 5.16 4.14 0.09 0.21 0.00 -1.26 -1.41 105.19 112.12 1uhf n GLY 40 Ca -0.12 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 14.00 0.63 -3.26 1.61 -0.58 -1.26 -4.73 120.64 127.04 1uhf n GLU 41 Ca 0.00 0.23 -0.43 0.00 -0.42 0.00 0.00 57.16 56.53 1uhf n GLU 41 Cb 0.00 -1.78 -0.08 0.00 -0.57 0.00 0.00 31.44 29.01 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 -2.81 3.14 0.44 -0.32 0.52 -0.50 -2.94 118.94 116.47 1uhf s TRP 42 Ca -0.04 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.71 1uhf s TRP 42 Cb 0.08 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.32 1uhf s TRP 42 CO 0.82 -0.79 0.65 -1.58 0.02 0.00 0.00 176.95 176.08 1uhf s TRP 43 N 2.30 3.16 -0.31 -1.98 0.51 -1.17 -2.33 118.94 119.11 1uhf s TRP 43 Ca 0.14 0.13 -0.10 0.00 -2.12 0.00 0.00 56.10 54.15 1uhf s TRP 43 Cb -0.17 -2.32 -0.01 0.00 -0.81 0.00 0.00 33.47 30.16 1uhf s TRP 43 CO 0.14 -0.37 0.15 0.99 -0.51 0.00 0.00 176.95 177.35 1uhf s THR 44 N -2.52 4.60 0.42 2.01 2.01 0.55 -2.37 115.64 120.33 1uhf s THR 44 Ca 0.49 -0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.13 1uhf s THR 44 Cb -0.10 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.05 1uhf s THR 44 CO 0.37 0.06 0.49 -0.83 -0.69 0.00 0.00 174.62 174.01 1uhf s GLY 45 N 1.61 2.03 0.00 4.40 0.00 -0.89 -2.10 107.32 112.37 1uhf s GLY 45 Ca 0.04 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 42.92 1uhf s GLY 45 CO 0.06 -1.58 0.15 -0.45 0.00 0.00 0.00 173.10 171.28 1uhf s SER 46 N -4.25 0.01 -0.17 1.64 0.15 0.71 -2.90 113.70 108.88 1uhf s SER 46 Ca 0.52 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 1uhf s SER 46 Cb -0.07 0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 1uhf s SER 46 CO 0.31 -0.38 0.07 -0.63 1.20 0.00 0.00 173.24 173.82 1uhf s ILE 47 N -1.38 0.07 0.00 6.45 1.01 -0.50 0.12 121.20 126.97 1uhf s ILE 47 Ca -0.15 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1uhf s ILE 47 Cb -0.07 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1uhf s ILE 47 CO 0.02 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1uhf n GLY 48 N 5.22 0.29 0.53 6.18 0.00 -1.26 0.32 105.19 116.47 1uhf n GLY 48 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 1.10 0.02 -4.78 1.61 9.92 -1.26 -5.10 116.55 118.06 1uhf n ASP 49 Ca 0.00 -1.72 -0.33 0.00 -0.53 0.00 0.00 54.79 52.21 1uhf n ASP 49 Cb 0.00 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.27 1uhf n ASP 49 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1uhf s ARG 50 N 0.00 3.07 -0.01 -1.24 0.52 0.15 -5.11 118.95 116.33 1uhf s ARG 50 Ca 0.01 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1uhf s ARG 50 Cb 0.01 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 1uhf s ARG 50 CO -0.00 0.66 -0.06 -1.54 0.02 0.00 0.00 175.30 174.37 1uhf s SER 51 N -1.66 0.74 0.00 0.23 1.04 -1.26 -1.41 113.70 111.38 1uhf s SER 51 Ca 0.22 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1uhf s SER 51 Cb -0.12 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1uhf s SER 51 CO 0.13 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1uhf n GLY 52 N 2.96 -1.09 3.92 7.32 0.00 -1.14 -4.81 105.19 112.35 1uhf n GLY 52 Ca -0.13 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.06 5.01 0.18 -0.61 -4.36 -0.99 -2.10 121.20 116.28 1uhf s ILE 53 Ca 0.00 -1.11 -0.23 0.00 -0.26 0.00 0.00 60.65 59.05 1uhf s ILE 53 Cb 0.00 -3.72 0.06 0.00 1.25 0.00 0.00 42.46 40.05 1uhf s ILE 53 CO 0.00 -0.33 0.66 0.72 0.24 0.00 0.00 174.94 176.22 1uhf s PHE 54 N -2.02 -0.43 -0.19 1.37 -0.12 -1.00 0.20 117.98 115.78 1uhf s PHE 54 Ca 0.34 0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 57.08 1uhf s PHE 54 Cb -0.09 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1uhf s PHE 54 CO 0.28 -0.93 1.29 -1.25 -0.05 0.00 0.00 175.22 174.56 1uhf s PRO 55 N -3.75 4.14 -0.74 1.99 0.04 -1.26 -3.06 135.00 132.37 1uhf s PRO 55 Ca 0.04 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 1uhf s PRO 55 Cb -0.02 -3.81 -0.06 0.00 0.04 0.00 0.00 34.50 30.65 1uhf s PRO 55 CO -0.07 -0.82 2.03 -1.13 0.04 0.00 0.00 177.00 177.04 1uhf n SER 56 N 6.92 4.30 0.00 6.66 3.41 -1.15 -2.55 113.62 131.20 1uhf n SER 56 Ca 0.14 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 1uhf n SER 56 Cb 0.45 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 4.08 0.00 -1.49 4.04 5.15 -1.26 -4.86 115.26 120.92 1uhf n ASN 57 Ca 0.38 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.31 1uhf n ASN 57 Cb 0.16 0.03 0.02 0.00 -0.53 0.00 0.00 39.78 39.47 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 -1.73 0.58 -3.79 1.20 4.02 -1.06 -4.76 117.16 111.61 1uhf n TYR 58 Ca 0.00 -1.14 -0.13 0.00 -0.01 0.00 0.00 57.90 56.63 1uhf n TYR 58 Cb 0.00 -0.56 -0.11 0.00 -0.02 0.00 0.00 39.34 38.64 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 -0.77 0.01 0.19 -0.72 -7.23 -1.26 -2.46 120.40 108.15 1uhf s VAL 59 Ca 0.11 -0.05 0.11 0.00 -1.81 0.00 0.00 61.98 60.35 1uhf s VAL 59 Cb 0.09 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1uhf s VAL 59 CO 0.01 -0.03 -0.23 -1.59 -0.31 0.00 0.00 175.10 172.95 1uhf s LYS 60 N 0.01 1.48 -0.24 4.82 -2.85 0.34 -4.86 119.74 118.44 1uhf s LYS 60 Ca -0.01 -1.51 -0.29 0.00 -1.00 0.00 0.00 55.97 53.15 1uhf s LYS 60 Cb -0.02 -1.76 -0.01 0.00 -2.06 0.00 0.00 37.83 33.98 1uhf s LYS 60 CO 0.01 0.38 1.32 -1.25 0.10 0.00 0.00 175.35 175.90 1uhf s PRO 61 N -2.71 4.02 -0.71 1.78 0.04 -1.26 0.15 135.00 136.31 1uhf s PRO 61 Ca 0.20 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1uhf s PRO 61 Cb -0.08 -3.85 -0.14 0.00 0.04 0.00 0.00 34.50 30.47 1uhf s PRO 61 CO 0.09 -0.98 2.48 1.17 0.04 0.00 0.00 177.00 179.80 1uhf n LYS 62 N 7.08 0.61 -0.03 4.56 4.81 -0.22 -4.74 118.16 130.23 1uhf n LYS 62 Ca 0.15 -0.12 -0.15 0.00 -0.87 0.00 0.00 58.31 57.31 1uhf n LYS 62 Cb 0.46 -2.77 -0.13 0.00 0.02 0.00 0.00 35.03 32.61 1uhf n LYS 62 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1uhf h ASP 63 N 15.99 0.15 -3.34 3.14 3.58 -1.90 -3.44 116.42 130.61 1uhf h ASP 63 Ca -0.13 -0.92 -0.53 0.00 0.42 0.00 0.00 57.03 55.87 1uhf h ASP 63 Cb 1.24 -0.05 -0.40 0.00 1.72 0.00 0.00 39.33 41.84 1uhf h ASP 63 CO 1.24 1.05 -0.77 -0.94 -2.88 0.00 0.00 179.24 176.94 1uhf s SER 64 N -6.38 3.09 0.00 2.28 1.04 -1.26 -5.03 113.70 107.45 1uhf s SER 64 Ca -0.17 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1uhf s SER 64 Cb -0.01 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1uhf s SER 64 CO 0.73 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.27 1uhf n GLY 65 N 4.98 -0.45 3.78 7.32 0.00 -1.26 -4.98 105.19 114.59 1uhf n GLY 65 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.91 4.11 -0.14 1.61 0.04 -1.26 -5.06 135.00 133.39 1uhf s PRO 66 Ca 0.00 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 1uhf s PRO 66 Cb 0.00 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1uhf s PRO 66 CO 0.00 -0.19 0.34 0.45 0.04 0.00 0.00 177.00 177.64 1uhf s SER 67 N -1.60 -0.41 0.27 6.66 0.15 -1.26 -5.16 113.70 112.34 1uhf s SER 67 Ca 0.59 0.74 0.08 0.00 0.70 0.00 0.00 55.95 58.06 1uhf s SER 67 Cb -0.22 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1uhf s SER 67 CO 0.27 -0.17 0.11 -0.55 1.20 0.00 0.00 173.24 174.10 1uhf s SER 68 N 1.20 5.05 0.00 5.45 0.15 -1.26 -5.32 113.70 118.97 1uhf s SER 68 Ca -0.08 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1uhf s SER 68 Cb -0.08 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1uhf s SER 68 CO -0.10 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.91