#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 1.79 -0.16 1.61 0.01 -1.26 -5.12 113.70 110.57 1uhf s SER 2 Ca 0.00 -0.29 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1uhf s SER 2 Cb 0.00 -0.61 0.07 0.00 0.21 0.00 0.00 66.02 65.69 1uhf s SER 2 CO 0.00 0.09 0.33 -0.55 0.41 0.00 0.00 173.24 173.52 1uhf s SER 3 N 0.29 0.04 0.00 2.44 0.15 -1.26 -5.14 113.70 110.22 1uhf s SER 3 Ca -0.07 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1uhf s SER 3 Cb -0.12 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1uhf s SER 3 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1uhf n GLY 4 N 5.25 -1.30 3.43 9.45 0.00 -1.26 -5.17 105.19 115.59 1uhf n GLY 4 Ca -0.09 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.00 -0.55 -0.13 1.61 0.01 -1.26 -5.06 113.70 104.32 1uhf s SER 5 Ca 0.00 1.07 -0.09 0.00 1.31 0.00 0.00 55.95 58.24 1uhf s SER 5 Cb 0.00 1.08 0.03 0.00 0.21 0.00 0.00 66.02 67.34 1uhf s SER 5 CO 0.00 -0.18 0.18 -1.20 0.41 0.00 0.00 173.24 172.45 1uhf n SER 6 N 2.82 -3.00 0.00 2.44 7.64 -1.26 -5.07 113.62 117.19 1uhf n SER 6 Ca -0.14 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1uhf n SER 6 Cb 0.56 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 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 1.78 2.86 2.99 0.23 0.00 -1.26 -5.17 105.19 106.62 1uhf n GLY 7 Ca -0.31 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 0.17 -0.21 -0.02 0.00 -1.26 -4.54 107.32 101.47 1uhf s GLY 8 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 1uhf s GLY 8 CO 0.00 -0.50 -0.00 -0.54 0.00 0.00 0.00 173.10 172.05 1uhf s GLU 9 N -1.25 3.56 -0.14 2.90 0.41 0.30 -4.91 118.70 119.58 1uhf s GLU 9 Ca -0.14 -0.54 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 1uhf s GLU 9 Cb -0.08 -3.08 -0.03 0.00 -1.78 0.00 0.00 34.13 29.15 1uhf s GLU 9 CO -0.00 -0.06 1.47 -1.21 -0.49 0.00 0.00 175.26 174.97 1uhf s GLU 10 N 1.17 4.13 0.02 1.61 8.01 -1.26 -1.26 118.70 131.12 1uhf s GLU 10 Ca 0.03 1.84 0.06 0.00 0.01 0.00 0.00 54.97 56.91 1uhf s GLU 10 Cb -0.14 -3.90 -0.02 0.00 -4.31 0.00 0.00 34.13 25.76 1uhf s GLU 10 CO 0.01 -0.87 -0.18 0.71 0.01 0.00 0.00 175.26 174.94 1uhf s TYR 11 N 4.01 1.58 0.05 1.61 2.02 0.19 -0.91 117.35 125.90 1uhf s TYR 11 Ca 0.65 -0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.97 1uhf s TYR 11 Cb -0.26 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 1uhf s TYR 11 CO 0.23 0.03 0.27 0.42 -1.57 0.00 0.00 175.55 174.93 1uhf s ILE 12 N -0.64 5.30 -0.62 2.71 -1.09 0.32 -0.32 121.20 126.86 1uhf s ILE 12 Ca 0.06 0.01 -0.23 0.00 -2.23 0.00 0.00 60.65 58.25 1uhf s ILE 12 Cb -0.08 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.27 1uhf s ILE 12 CO 0.01 0.25 0.97 0.00 -1.23 0.00 0.00 174.94 174.93 1uhf s ALA 13 N -1.42 3.11 0.08 9.38 0.00 -0.64 0.22 121.76 132.50 1uhf s ALA 13 Ca 0.32 -1.58 -0.35 0.00 0.00 0.00 0.00 51.96 50.35 1uhf s ALA 13 Cb -0.13 -3.83 -0.18 0.00 0.00 0.00 0.00 23.12 18.99 1uhf s ALA 13 CO 0.20 -2.64 1.59 -0.07 0.00 0.00 0.00 175.76 174.84 1uhf h LEU 14 N 11.28 -1.08 -9.14 0.00 3.38 -1.89 0.15 115.31 118.02 1uhf h LEU 14 Ca -0.28 0.06 -0.63 0.00 0.09 0.00 0.00 57.88 57.13 1uhf h LEU 14 Cb 1.07 0.32 -0.16 0.00 0.09 0.00 0.00 40.66 41.98 1uhf h LEU 14 CO 1.15 -0.65 -0.79 -0.31 0.09 0.00 0.00 178.44 177.93 1uhf s TYR 15 N -5.98 2.31 -0.21 1.13 2.02 -1.26 -4.53 117.35 110.83 1uhf s TYR 15 Ca -0.18 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 1uhf s TYR 15 Cb 0.04 -1.07 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 1uhf s TYR 15 CO 0.61 0.61 1.30 -1.25 -1.57 0.00 0.00 175.55 175.25 1uhf s PRO 16 N -3.10 4.10 -0.24 -1.71 0.04 -1.26 -4.13 135.00 128.70 1uhf s PRO 16 Ca 0.26 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 1uhf s PRO 16 Cb -0.06 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 1uhf s PRO 16 CO 0.13 -0.88 0.11 -0.47 0.04 0.00 0.00 177.00 175.93 1uhf s TYR 17 N 3.88 3.18 -0.19 0.56 5.04 -0.75 -4.86 117.35 124.21 1uhf s TYR 17 Ca 0.56 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 55.11 1uhf s TYR 17 Cb -0.20 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 39.89 1uhf s TYR 17 CO 0.18 -0.15 -0.13 -1.54 -1.34 0.00 0.00 175.55 172.57 1uhf s SER 18 N 1.34 3.28 0.56 4.32 1.04 -1.26 -2.64 113.70 120.34 1uhf s SER 18 Ca 0.06 -0.80 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1uhf s SER 18 Cb -0.15 -1.29 0.07 0.00 0.10 0.00 0.00 66.02 64.75 1uhf s SER 18 CO 0.05 -0.10 0.66 -0.55 0.98 0.00 0.00 173.24 174.28 1uhf s SER 19 N 1.37 4.94 -0.01 7.02 0.15 -1.26 -5.04 113.70 120.87 1uhf s SER 19 Ca 0.01 -0.99 0.10 0.00 0.70 0.00 0.00 55.95 55.77 1uhf s SER 19 Cb -0.15 0.34 -0.14 0.00 -1.71 0.00 0.00 66.02 64.35 1uhf s SER 19 CO -0.09 -1.26 0.26 1.33 1.20 0.00 0.00 173.24 174.68 1uhf n VAL 20 N -2.07 0.00 -3.44 4.45 0.24 -1.26 -4.98 118.33 111.26 1uhf n VAL 20 Ca 0.10 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.34 61.78 1uhf n VAL 20 Cb 0.62 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.49 4.02 0.00 7.34 0.41 -1.26 -4.95 118.70 121.77 1uhf s GLU 21 Ca -0.02 0.46 0.23 0.00 -0.41 0.00 0.00 54.97 55.23 1uhf s GLU 21 Cb 0.06 -3.25 1.36 0.00 -1.78 0.00 0.00 34.13 30.52 1uhf s GLU 21 CO 0.40 0.61 1.75 -0.35 -0.49 0.00 0.00 175.26 177.18 1uhf n PRO 22 N 2.06 0.75 -0.52 0.39 -0.04 -1.26 -2.36 135.00 134.02 1uhf n PRO 22 Ca -0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1uhf n PRO 22 Cb 0.52 -1.48 0.33 0.00 -0.04 0.00 0.00 33.50 32.84 1uhf n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uhf n GLY 23 N 0.48 2.75 3.07 0.55 0.00 -1.26 -4.85 105.19 105.94 1uhf n GLY 23 Ca 0.17 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1uhf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uhf s ASP 24 N -0.98 3.37 -0.44 1.61 1.11 -0.99 -2.77 116.67 117.57 1uhf s ASP 24 Ca 0.49 -0.82 -0.31 0.00 0.18 0.00 0.00 52.55 52.09 1uhf s ASP 24 Cb 0.30 -1.39 -0.10 0.00 1.07 0.00 0.00 42.92 42.79 1uhf s ASP 24 CO 0.26 -0.08 2.32 -0.11 1.18 0.00 0.00 175.17 178.74 1uhf n LEU 25 N 4.62 2.14 -4.66 1.23 7.94 -0.22 -4.74 117.00 123.31 1uhf n LEU 25 Ca -0.18 0.10 -0.40 0.00 -1.11 0.00 0.00 56.01 54.43 1uhf n LEU 25 Cb 0.48 -1.36 -0.06 0.00 0.53 0.00 0.00 43.42 43.01 1uhf n LEU 25 CO 0.23 -0.95 0.29 0.42 -1.11 0.00 0.00 177.39 176.27 1uhf s THR 26 N 9.01 5.07 0.34 1.96 -4.23 -1.26 -4.78 115.64 121.75 1uhf s THR 26 Ca 1.08 1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 62.61 1uhf s THR 26 Cb -0.64 -3.88 -0.00 0.00 1.34 0.00 0.00 72.50 69.32 1uhf s THR 26 CO 0.41 0.14 0.44 0.72 -0.54 0.00 0.00 174.62 175.79 1uhf s PHE 27 N 1.81 1.19 0.42 3.99 -0.12 -1.08 -5.07 117.98 119.13 1uhf s PHE 27 Ca 0.25 -1.37 0.04 0.00 -0.05 0.00 0.00 56.93 55.81 1uhf s PHE 27 Cb -0.16 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1uhf s PHE 27 CO 0.10 -1.08 0.03 0.95 -0.05 0.00 0.00 175.22 175.17 1uhf s THR 28 N -3.13 1.39 0.17 -4.49 -4.23 -1.26 -1.82 115.64 102.27 1uhf s THR 28 Ca 0.32 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.52 1uhf s THR 28 Cb 0.00 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 1uhf s THR 28 CO 0.22 0.00 1.47 -0.70 -0.54 0.00 0.00 174.62 175.06 1uhf s GLU 29 N -3.80 4.27 0.00 3.99 -6.30 -1.26 -2.42 118.70 113.19 1uhf s GLU 29 Ca 0.25 2.23 0.00 0.00 -2.50 0.00 0.00 54.97 54.95 1uhf s GLU 29 Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 31.01 1uhf s GLU 29 CO 0.12 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1uhf n GLY 30 N 3.28 2.64 3.59 -1.50 0.00 0.51 -4.92 105.19 108.79 1uhf n GLY 30 Ca 0.11 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 1.05 -3.36 1.61 -0.58 -1.01 -4.55 120.64 113.79 1uhf n GLU 31 Ca 0.00 0.39 -0.41 0.00 -0.42 0.00 0.00 57.16 56.72 1uhf n GLU 31 Cb 0.00 -2.02 -0.09 0.00 -0.57 0.00 0.00 31.44 28.76 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 -2.27 3.53 -0.23 3.49 2.02 -1.26 -1.62 118.70 122.36 1uhf s GLU 32 Ca 0.68 -0.40 -0.08 0.00 0.02 0.00 0.00 54.97 55.19 1uhf s GLU 32 Cb -0.49 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 1uhf s GLU 32 CO 0.53 -0.58 0.09 0.42 0.02 0.00 0.00 175.26 175.74 1uhf s ILE 33 N 2.10 4.73 -0.52 -1.63 1.01 0.56 -4.70 121.20 122.74 1uhf s ILE 33 Ca 0.13 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 1uhf s ILE 33 Cb -0.16 -3.18 0.09 0.00 0.01 0.00 0.00 42.46 39.22 1uhf s ILE 33 CO 0.12 0.37 0.54 -0.22 0.00 0.00 0.00 174.94 175.75 1uhf s LEU 34 N 1.09 5.61 0.29 2.97 2.96 0.55 -0.64 118.68 131.52 1uhf s LEU 34 Ca 0.05 -1.40 -0.27 0.00 -0.22 0.00 0.00 54.13 52.28 1uhf s LEU 34 Cb -0.14 -2.27 -0.10 0.00 0.50 0.00 0.00 46.19 44.19 1uhf s LEU 34 CO 0.04 -0.86 0.94 -0.69 -1.32 0.00 0.00 176.35 174.46 1uhf s VAL 35 N 2.05 4.17 0.00 1.68 1.01 -0.39 -0.25 120.40 128.67 1uhf s VAL 35 Ca 0.07 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1uhf s VAL 35 Cb -0.25 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1uhf s VAL 35 CO 0.06 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.79 1uhf n THR 36 N 0.90 0.00 -4.94 3.92 -2.24 -1.04 0.11 114.28 110.98 1uhf n THR 36 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1uhf n THR 36 Cb 0.49 -0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.62 3.25 -0.35 -0.78 -0.44 -1.23 -4.79 119.66 113.71 1uhf s GLN 37 Ca 0.00 -0.76 0.01 0.00 -2.50 0.00 0.00 55.36 52.11 1uhf s GLN 37 Cb 0.00 -2.50 0.09 0.00 -1.64 0.00 0.00 33.01 28.96 1uhf s GLN 37 CO 0.00 0.20 0.07 0.15 0.50 0.00 0.00 175.29 176.21 1uhf s LYS 38 N 0.36 1.85 -0.41 1.67 1.02 -1.26 0.11 119.74 123.08 1uhf s LYS 38 Ca -0.14 -1.72 -0.05 0.00 0.02 0.00 0.00 55.97 54.08 1uhf s LYS 38 Cb -0.17 -3.28 0.09 0.00 -0.52 0.00 0.00 37.83 33.95 1uhf s LYS 38 CO 0.07 -0.90 0.21 0.34 -0.92 0.00 0.00 175.35 174.16 1uhf s ASP 39 N 1.25 5.39 0.88 2.83 -1.08 -1.08 -4.98 116.67 119.88 1uhf s ASP 39 Ca 0.06 -1.76 0.00 0.00 -0.52 0.00 0.00 52.55 50.33 1uhf s ASP 39 Cb -0.20 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1uhf s ASP 39 CO -0.06 -0.53 0.00 0.61 0.52 0.00 0.00 175.17 175.72 1uhf n GLY 40 N 4.74 1.62 0.16 2.66 0.00 -1.26 -3.32 105.19 109.79 1uhf n GLY 40 Ca -0.07 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 0.55 -6.10 1.61 4.39 -1.98 -3.44 114.58 109.61 1uhf h GLU 41 Ca 0.00 -0.83 -0.56 0.00 0.34 0.00 0.00 59.36 58.31 1uhf h GLU 41 Cb 0.00 0.29 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 1uhf h GLU 41 CO 0.00 1.39 0.07 -1.58 -1.16 0.00 0.00 179.01 177.73 1uhf s TRP 42 N -2.77 3.64 0.10 4.33 0.52 -1.21 -3.57 118.94 119.97 1uhf s TRP 42 Ca -0.10 1.28 0.09 0.00 0.02 0.00 0.00 56.10 57.39 1uhf s TRP 42 Cb 0.04 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1uhf s TRP 42 CO 0.93 0.20 -0.20 -1.58 0.02 0.00 0.00 176.95 176.32 1uhf s TRP 43 N 0.34 2.50 -0.35 -1.98 0.51 -1.17 -2.62 118.94 116.16 1uhf s TRP 43 Ca 0.36 -0.28 -0.28 0.00 -2.12 0.00 0.00 56.10 53.77 1uhf s TRP 43 Cb -0.18 -1.36 0.02 0.00 -0.81 0.00 0.00 33.47 31.13 1uhf s TRP 43 CO 0.19 0.34 1.06 0.99 -0.51 0.00 0.00 176.95 179.02 1uhf s THR 44 N -1.07 4.47 0.34 2.01 2.01 0.30 -3.24 115.64 120.46 1uhf s THR 44 Ca 0.16 1.57 0.07 0.00 0.31 0.00 0.00 61.69 63.80 1uhf s THR 44 Cb -0.10 -4.44 -0.01 0.00 0.01 0.00 0.00 72.50 67.96 1uhf s THR 44 CO 0.08 -0.58 0.44 -0.83 -0.69 0.00 0.00 174.62 173.04 1uhf s GLY 45 N 1.83 1.67 0.01 4.40 0.00 -0.81 -2.50 107.32 111.91 1uhf s GLY 45 Ca 0.45 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.68 1uhf s GLY 45 CO 0.19 -1.43 -0.11 -0.56 0.00 0.00 0.00 173.10 171.18 1uhf s SER 46 N -4.14 1.30 -0.16 1.64 0.01 0.66 -2.98 113.70 110.02 1uhf s SER 46 Ca 0.45 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 57.34 1uhf s SER 46 Cb -0.09 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.10 1uhf s SER 46 CO 0.30 0.05 0.08 -0.63 0.41 0.00 0.00 173.24 173.46 1uhf s ILE 47 N -0.58 -0.01 -1.61 1.44 1.01 -1.22 -0.33 121.20 119.91 1uhf s ILE 47 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1uhf s ILE 47 Cb -0.06 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1uhf s ILE 47 CO 0.00 -0.24 0.17 0.61 0.00 0.00 0.00 174.94 175.49 1uhf n GLY 48 N 5.25 -0.44 1.47 6.18 0.00 -1.26 -1.19 105.19 115.20 1uhf n GLY 48 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.88 -1.64 -4.94 1.61 -0.08 -1.26 -5.06 116.55 103.29 1uhf n ASP 49 Ca -0.19 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.89 1uhf n ASP 49 Cb 0.66 -0.37 0.05 0.00 2.34 0.00 0.00 41.12 43.80 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 -2.12 2.41 -0.00 -0.67 0.52 -0.33 -5.11 118.95 113.64 1uhf s ARG 50 Ca 0.00 -1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 54.03 1uhf s ARG 50 Cb 0.00 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.89 1uhf s ARG 50 CO 0.00 -0.75 0.04 -1.12 0.02 0.00 0.00 175.30 173.48 1uhf s SER 51 N -4.51 0.06 0.00 0.23 0.01 -1.26 -3.41 113.70 104.82 1uhf s SER 51 Ca 0.59 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1uhf s SER 51 Cb -0.08 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1uhf s SER 51 CO 0.38 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1uhf n GLY 52 N 2.31 0.68 3.90 3.44 0.00 -1.16 -4.58 105.19 109.77 1uhf n GLY 52 Ca -0.18 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 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 5.04 0.16 -0.61 -4.36 -1.11 -1.93 121.20 116.39 1uhf s ILE 53 Ca 0.00 -0.83 -0.23 0.00 -0.26 0.00 0.00 60.65 59.33 1uhf s ILE 53 Cb 0.00 -3.59 0.06 0.00 1.25 0.00 0.00 42.46 40.18 1uhf s ILE 53 CO 0.00 -0.10 0.68 0.72 0.24 0.00 0.00 174.94 176.48 1uhf s PHE 54 N -1.75 -0.42 -0.17 1.37 -0.12 -1.20 -1.05 117.98 114.63 1uhf s PHE 54 Ca 0.33 0.16 -0.29 0.00 -0.05 0.00 0.00 56.93 57.08 1uhf s PHE 54 Cb -0.11 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1uhf s PHE 54 CO 0.27 -0.89 1.28 -1.25 -0.05 0.00 0.00 175.22 174.58 1uhf s PRO 55 N -3.68 4.20 0.02 1.99 0.04 -1.26 -3.06 135.00 133.25 1uhf s PRO 55 Ca 0.04 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.82 1uhf s PRO 55 Cb -0.02 -3.78 0.41 0.00 0.04 0.00 0.00 34.50 31.14 1uhf s PRO 55 CO -0.07 -0.75 1.30 -1.13 0.04 0.00 0.00 177.00 176.39 1uhf n SER 56 N 6.72 0.03 -0.53 6.66 3.41 -1.23 -0.49 113.62 128.19 1uhf n SER 56 Ca 0.14 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1uhf n SER 56 Cb 0.45 -0.52 0.40 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.54 1.61 -0.74 4.04 3.02 -1.26 -3.63 115.26 116.75 1uhf n ASN 57 Ca 0.02 -1.67 0.05 0.00 -0.03 0.00 0.00 54.58 52.95 1uhf n ASN 57 Cb 0.10 -0.09 0.18 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 0.28 0.03 -3.80 3.10 4.02 0.36 -5.01 117.16 116.14 1uhf n TYR 58 Ca 0.16 -1.37 -0.13 0.00 -0.01 0.00 0.00 57.90 56.56 1uhf n TYR 58 Cb 0.33 -0.24 -0.12 0.00 -0.02 0.00 0.00 39.34 39.29 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 -2.80 0.01 0.18 -0.72 -7.23 -1.24 -3.22 120.40 105.37 1uhf s VAL 59 Ca 0.38 -0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.59 1uhf s VAL 59 Cb 0.37 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.94 1uhf s VAL 59 CO -0.08 -0.03 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.91 1uhf s LYS 60 N -0.00 1.77 -0.25 4.82 -2.85 0.13 -4.88 119.74 118.47 1uhf s LYS 60 Ca -0.01 -1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 53.29 1uhf s LYS 60 Cb -0.02 -2.01 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 1uhf s LYS 60 CO 0.00 0.42 1.32 -1.25 0.10 0.00 0.00 175.35 175.95 1uhf s PRO 61 N -2.67 3.99 -0.74 1.78 0.04 -1.26 0.12 135.00 136.26 1uhf s PRO 61 Ca 0.22 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 1uhf s PRO 61 Cb -0.09 -3.86 -0.15 0.00 0.04 0.00 0.00 34.50 30.44 1uhf s PRO 61 CO 0.12 -1.02 2.48 1.17 0.04 0.00 0.00 177.00 179.79 1uhf n LYS 62 N 7.15 0.55 -3.91 4.56 4.81 -0.09 -4.85 118.16 126.37 1uhf n LYS 62 Ca 0.15 -0.13 -0.35 0.00 -0.87 0.00 0.00 58.31 57.10 1uhf n LYS 62 Cb 0.46 -2.65 -0.11 0.00 0.02 0.00 0.00 35.03 32.75 1uhf n LYS 62 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1uhf s ASP 63 N 9.86 5.43 -0.21 3.14 -1.08 -1.26 -4.98 116.67 127.57 1uhf s ASP 63 Ca 1.12 -0.04 -0.19 0.00 -0.52 0.00 0.00 52.55 52.92 1uhf s ASP 63 Cb -0.56 -1.95 -0.03 0.00 -1.46 0.00 0.00 42.92 38.92 1uhf s ASP 63 CO 0.33 0.08 0.55 -0.55 0.52 0.00 0.00 175.17 176.11 1uhf s SER 64 N 0.94 6.58 0.00 -0.34 0.15 -1.26 -4.93 113.70 114.84 1uhf s SER 64 Ca 0.04 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1uhf s SER 64 Cb -0.14 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1uhf s SER 64 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1uhf n GLY 65 N 3.94 3.54 3.16 9.45 0.00 -1.26 -4.92 105.19 119.10 1uhf n GLY 65 Ca -0.04 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 1uhf n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhf n PRO 66 N -0.96 2.24 -4.21 1.61 -0.04 -1.26 -4.86 135.00 127.51 1uhf n PRO 66 Ca 0.00 -2.45 -0.29 0.00 -0.04 0.00 0.00 63.50 60.72 1uhf n PRO 66 Cb 0.00 -3.28 -0.17 0.00 -0.04 0.00 0.00 33.50 30.01 1uhf n PRO 66 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uhf s SER 67 N 4.57 2.48 0.06 3.54 1.04 -1.26 -5.03 113.70 119.09 1uhf s SER 67 Ca 0.56 -0.43 -0.33 0.00 0.48 0.00 0.00 55.95 56.23 1uhf s SER 67 Cb 0.10 -1.08 -0.19 0.00 0.10 0.00 0.00 66.02 64.95 1uhf s SER 67 CO 0.05 -0.03 1.53 0.28 0.98 0.00 0.00 173.24 176.05 1uhf h SER 68 N 7.76 -0.82 -0.02 7.02 0.02 -2.03 -3.51 113.55 121.96 1uhf h SER 68 Ca -0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1uhf h SER 68 Cb 1.15 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1uhf h SER 68 CO 0.49 -0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.24