#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 1.70 0.11 1.61 0.15 -1.26 -5.16 113.70 110.86 1uhf s SER 2 Ca 0.00 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 55.84 1uhf s SER 2 Cb 0.00 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1uhf s SER 2 CO 0.00 -0.25 -0.01 -0.44 1.20 0.00 0.00 173.24 173.74 1uhf s SER 3 N -2.65 4.93 -0.65 5.45 0.01 -1.26 -4.76 113.70 114.77 1uhf s SER 3 Ca 0.10 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.06 1uhf s SER 3 Cb -0.02 -1.13 0.01 0.00 0.21 0.00 0.00 66.02 65.09 1uhf s SER 3 CO 0.01 0.16 0.66 0.61 0.41 0.00 0.00 173.24 175.09 1uhf n GLY 4 N 0.45 -1.20 0.52 3.44 0.00 -1.26 -4.94 105.19 102.20 1uhf n GLY 4 Ca -0.11 0.75 -0.20 0.00 0.00 0.00 0.00 46.02 46.46 1uhf n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uhf h SER 5 N 0.91 -1.11 -2.31 1.61 0.02 -2.06 -3.39 113.55 107.22 1uhf h SER 5 Ca -0.09 0.04 -0.56 0.00 -0.84 0.00 0.00 61.79 60.34 1uhf h SER 5 Cb 1.06 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 1uhf h SER 5 CO 0.27 -0.77 1.37 -0.94 -1.14 0.00 0.00 176.83 175.62 1uhf s SER 6 N -4.06 5.55 -0.24 3.07 1.04 -1.26 -4.92 113.70 112.88 1uhf s SER 6 Ca -0.19 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 57.46 1uhf s SER 6 Cb 0.02 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.70 1uhf s SER 6 CO 0.58 -1.99 0.12 -0.83 0.98 0.00 0.00 173.24 172.11 1uhf s GLY 7 N 7.51 0.39 -0.26 7.32 0.00 -1.26 -5.12 107.32 115.90 1uhf s GLY 7 Ca 0.84 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 44.58 1uhf s GLY 7 CO 0.31 1.96 1.27 -0.32 0.00 0.00 0.00 173.10 176.32 1uhf s GLY 8 N 2.14 0.02 -0.16 0.20 0.00 -1.26 -4.60 107.32 103.66 1uhf s GLY 8 Ca 0.06 2.70 0.01 0.00 0.00 0.00 0.00 44.72 47.49 1uhf s GLY 8 CO -0.25 1.19 -0.19 -0.54 0.00 0.00 0.00 173.10 173.32 1uhf s GLU 9 N -0.89 3.10 0.21 2.90 2.02 0.49 -4.93 118.70 121.58 1uhf s GLU 9 Ca 0.06 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1uhf s GLU 9 Cb -0.01 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 1uhf s GLU 9 CO -0.06 -0.05 1.12 -1.21 0.02 0.00 0.00 175.26 175.08 1uhf s GLU 10 N 0.93 4.58 0.01 1.61 8.01 -1.26 -1.09 118.70 131.49 1uhf s GLU 10 Ca -0.04 1.77 -0.02 0.00 0.01 0.00 0.00 54.97 56.70 1uhf s GLU 10 Cb -0.15 -3.25 -0.01 0.00 -4.31 0.00 0.00 34.13 26.41 1uhf s GLU 10 CO -0.03 0.08 0.02 0.71 0.01 0.00 0.00 175.26 176.04 1uhf s TYR 11 N -0.44 0.14 -0.17 1.61 1.51 -0.65 -1.74 117.35 117.62 1uhf s TYR 11 Ca 0.49 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 56.18 1uhf s TYR 11 Cb -0.31 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1uhf s TYR 11 CO 0.37 -0.16 0.06 0.42 -1.11 0.00 0.00 175.55 175.13 1uhf s ILE 12 N -1.06 4.83 -0.20 2.71 -1.09 0.79 -1.54 121.20 125.63 1uhf s ILE 12 Ca -0.12 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 1uhf s ILE 12 Cb -0.07 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1uhf s ILE 12 CO -0.00 0.49 1.45 0.00 -1.23 0.00 0.00 174.94 175.64 1uhf s ALA 13 N 0.14 3.46 -0.09 9.38 0.00 -0.43 -0.77 121.76 133.45 1uhf s ALA 13 Ca 0.05 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 1uhf s ALA 13 Cb -0.12 -3.75 -0.21 0.00 0.00 0.00 0.00 23.12 19.04 1uhf s ALA 13 CO 0.00 -1.61 0.89 -0.07 0.00 0.00 0.00 175.76 174.97 1uhf h LEU 14 N 10.73 -0.04 -8.78 0.00 3.38 0.14 0.13 115.31 120.88 1uhf h LEU 14 Ca -0.31 -0.67 -0.52 0.00 0.09 0.00 0.00 57.88 56.47 1uhf h LEU 14 Cb 1.13 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.70 1uhf h LEU 14 CO 0.99 0.70 -0.79 -0.31 0.09 0.00 0.00 178.44 179.13 1uhf s TYR 15 N -2.99 1.78 -0.47 1.13 2.02 -1.21 -4.63 117.35 112.98 1uhf s TYR 15 Ca -0.16 -0.47 -0.28 0.00 -0.37 0.00 0.00 57.07 55.79 1uhf s TYR 15 Cb -0.01 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1uhf s TYR 15 CO 0.60 0.29 1.44 -1.25 -1.57 0.00 0.00 175.55 175.07 1uhf s PRO 16 N -2.63 3.43 -0.33 -1.71 0.04 -1.26 -4.13 135.00 128.41 1uhf s PRO 16 Ca 0.14 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 1uhf s PRO 16 Cb -0.06 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 1uhf s PRO 16 CO 0.06 -1.76 0.21 -0.47 0.04 0.00 0.00 177.00 175.08 1uhf s TYR 17 N 5.85 3.21 0.10 0.56 5.04 -0.78 -4.88 117.35 126.46 1uhf s TYR 17 Ca 0.59 -0.31 0.09 0.00 -2.44 0.00 0.00 57.07 55.00 1uhf s TYR 17 Cb -0.13 -2.43 -0.03 0.00 0.35 0.00 0.00 41.96 39.72 1uhf s TYR 17 CO 0.30 -0.38 -0.23 0.45 -1.34 0.00 0.00 175.55 174.35 1uhf s SER 18 N 1.69 2.82 -0.29 4.32 0.15 -1.26 -1.84 113.70 119.29 1uhf s SER 18 Ca 0.06 -0.68 -0.22 0.00 0.70 0.00 0.00 55.95 55.81 1uhf s SER 18 Cb -0.17 -0.18 0.14 0.00 -1.71 0.00 0.00 66.02 64.10 1uhf s SER 18 CO 0.09 0.12 1.09 -0.55 1.20 0.00 0.00 173.24 175.19 1uhf s SER 19 N -1.81 -0.39 -0.47 5.45 0.15 -1.26 -5.03 113.70 110.34 1uhf s SER 19 Ca 0.09 0.70 -0.06 0.00 0.70 0.00 0.00 55.95 57.38 1uhf s SER 19 Cb -0.10 0.86 -0.15 0.00 -1.71 0.00 0.00 66.02 64.93 1uhf s SER 19 CO 0.04 -0.12 3.27 1.33 1.20 0.00 0.00 173.24 178.96 1uhf n VAL 20 N 2.60 3.45 -4.26 4.45 0.24 -1.26 -4.84 118.33 118.71 1uhf n VAL 20 Ca -0.14 -2.17 -0.34 0.00 -2.04 0.00 0.00 64.34 59.66 1uhf n VAL 20 Cb 0.57 -2.04 -0.15 0.00 -1.47 0.00 0.00 33.84 30.75 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 0.55 3.21 -0.16 7.34 2.02 -1.26 -5.00 118.70 125.39 1uhf s GLU 21 Ca 0.65 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.86 1uhf s GLU 21 Cb 0.30 -2.71 -0.18 0.00 0.10 0.00 0.00 34.13 31.63 1uhf s GLU 21 CO -0.06 -0.09 2.80 -0.35 0.02 0.00 0.00 175.26 177.57 1uhf n PRO 22 N 4.38 1.67 0.00 0.39 -0.04 -1.26 -2.75 135.00 137.39 1uhf n PRO 22 Ca -0.19 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1uhf n PRO 22 Cb 0.51 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 2.76 0.18 3.74 0.55 0.00 -1.26 -5.10 105.19 106.06 1uhf n GLY 23 Ca 0.36 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.12 7.35 -0.50 1.61 1.11 -1.11 0.65 116.67 124.65 1uhf s ASP 24 Ca 0.00 2.03 -0.29 0.00 0.18 0.00 0.00 52.55 54.48 1uhf s ASP 24 Cb 0.00 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.42 1uhf s ASP 24 CO 0.00 -0.14 1.14 -0.22 1.18 0.00 0.00 175.17 177.13 1uhf s LEU 25 N -0.48 3.61 0.16 1.23 2.96 0.41 -4.57 118.68 122.00 1uhf s LEU 25 Ca 0.48 0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 1uhf s LEU 25 Cb -0.28 -3.43 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1uhf s LEU 25 CO 0.34 -1.30 0.99 0.42 -1.32 0.00 0.00 176.35 175.48 1uhf s THR 26 N 4.55 4.25 0.35 3.68 -4.23 -1.26 -4.80 115.64 118.18 1uhf s THR 26 Ca 0.46 1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 62.78 1uhf s THR 26 Cb -0.07 -4.25 0.04 0.00 1.34 0.00 0.00 72.50 69.55 1uhf s THR 26 CO 0.30 0.35 0.72 0.72 -0.54 0.00 0.00 174.62 176.17 1uhf s PHE 27 N -0.32 0.19 0.40 3.99 -0.12 -0.76 -5.05 117.98 116.30 1uhf s PHE 27 Ca 0.46 -0.75 0.06 0.00 -0.05 0.00 0.00 56.93 56.65 1uhf s PHE 27 Cb -0.25 0.66 -0.07 0.00 -0.63 0.00 0.00 43.02 42.73 1uhf s PHE 27 CO 0.32 -1.42 0.02 0.95 -0.05 0.00 0.00 175.22 175.03 1uhf s THR 28 N -2.81 1.82 0.01 -4.49 -4.23 -1.26 -1.86 115.64 102.83 1uhf s THR 28 Ca 0.17 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 1uhf s THR 28 Cb -0.04 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 1uhf s THR 28 CO 0.12 0.00 1.49 -0.70 -0.54 0.00 0.00 174.62 174.98 1uhf s GLU 29 N -3.75 4.25 0.00 3.99 -6.30 -1.26 -2.41 118.70 113.23 1uhf s GLU 29 Ca 0.34 2.08 0.00 0.00 -2.50 0.00 0.00 54.97 54.89 1uhf s GLU 29 Cb 0.09 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.60 1uhf s GLU 29 CO 0.17 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1uhf n GLY 30 N 3.78 1.86 3.48 -1.50 0.00 0.47 -4.92 105.19 108.35 1uhf n GLY 30 Ca 0.14 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 -3.68 1.61 -0.58 -1.01 -4.49 120.64 112.47 1uhf n GLU 31 Ca 0.00 0.05 -0.39 0.00 -0.42 0.00 0.00 57.16 56.40 1uhf n GLU 31 Cb 0.00 -1.94 -0.11 0.00 -0.57 0.00 0.00 31.44 28.82 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 -3.41 2.50 -0.17 3.49 2.02 -1.26 -1.32 118.70 120.56 1uhf s GLU 32 Ca 0.62 -1.44 -0.16 0.00 0.02 0.00 0.00 54.97 54.01 1uhf s GLU 32 Cb -0.27 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.28 1uhf s GLU 32 CO 0.62 -0.89 0.40 0.42 0.02 0.00 0.00 175.26 175.83 1uhf s ILE 33 N 1.36 5.22 -0.45 -1.63 1.01 -0.59 -4.75 121.20 121.36 1uhf s ILE 33 Ca 0.02 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 1uhf s ILE 33 Cb -0.22 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1uhf s ILE 33 CO 0.01 0.30 0.40 -0.22 0.00 0.00 0.00 174.94 175.43 1uhf s LEU 34 N 0.94 5.33 -0.15 2.97 2.96 0.16 -1.63 118.68 129.26 1uhf s LEU 34 Ca 0.21 -1.10 -0.24 0.00 -0.22 0.00 0.00 54.13 52.78 1uhf s LEU 34 Cb -0.14 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1uhf s LEU 34 CO 0.08 -0.62 0.75 -0.69 -1.32 0.00 0.00 176.35 174.55 1uhf s VAL 35 N 1.82 4.95 -0.03 1.68 1.01 -0.25 -0.26 120.40 129.32 1uhf s VAL 35 Ca 0.06 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1uhf s VAL 35 Cb -0.22 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1uhf s VAL 35 CO 0.09 0.10 0.11 0.35 0.00 0.00 0.00 175.10 175.75 1uhf n THR 36 N 4.50 0.13 -4.01 3.92 -2.24 -0.91 0.18 114.28 115.86 1uhf n THR 36 Ca 0.02 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 1uhf n THR 36 Cb 0.50 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.38 0.43 -0.37 -0.78 -0.21 -1.23 -4.72 119.66 110.41 1uhf s GLN 37 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 55.36 55.35 1uhf s GLN 37 Cb 0.04 -0.55 0.09 0.00 1.00 0.00 0.00 33.01 33.59 1uhf s GLN 37 CO 0.28 -0.10 0.12 0.15 -2.12 0.00 0.00 175.29 173.62 1uhf s LYS 38 N 0.87 1.99 -0.49 2.91 1.02 -1.26 0.17 119.74 124.95 1uhf s LYS 38 Ca -0.09 -1.70 -0.15 0.00 0.02 0.00 0.00 55.97 54.04 1uhf s LYS 38 Cb -0.13 -3.40 0.09 0.00 -0.52 0.00 0.00 37.83 33.87 1uhf s LYS 38 CO -0.01 -0.94 0.41 0.34 -0.92 0.00 0.00 175.35 174.23 1uhf s ASP 39 N 1.49 6.13 1.57 2.83 -1.08 -0.98 -4.95 116.67 121.68 1uhf s ASP 39 Ca 0.06 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 1uhf s ASP 39 Cb -0.21 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1uhf s ASP 39 CO -0.04 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.56 1uhf n GLY 40 N 5.20 3.25 0.09 2.66 0.00 -1.26 -1.16 105.19 113.96 1uhf n GLY 40 Ca -0.13 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 10.24 0.65 -3.14 1.61 -0.58 -1.26 -4.76 120.64 123.40 1uhf n GLU 41 Ca 0.00 0.21 -0.43 0.00 -0.42 0.00 0.00 57.16 56.52 1uhf n GLU 41 Cb 0.00 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.09 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 -2.57 3.07 0.43 -0.32 0.52 -0.31 -2.96 118.94 116.80 1uhf s TRP 42 Ca -0.07 -0.20 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1uhf s TRP 42 Cb 0.07 -3.35 -0.00 0.00 -1.15 0.00 0.00 33.47 29.04 1uhf s TRP 42 CO 0.82 -0.90 0.63 -1.58 0.02 0.00 0.00 176.95 175.95 1uhf s TRP 43 N 2.72 3.20 -0.30 -1.98 0.51 -1.13 -2.31 118.94 119.65 1uhf s TRP 43 Ca 0.20 0.14 -0.08 0.00 -2.12 0.00 0.00 56.10 54.24 1uhf s TRP 43 Cb -0.16 -2.24 -0.00 0.00 -0.81 0.00 0.00 33.47 30.26 1uhf s TRP 43 CO 0.17 -0.28 0.12 0.99 -0.51 0.00 0.00 176.95 177.44 1uhf s THR 44 N -2.47 4.33 0.44 2.01 2.01 0.45 -1.79 115.64 120.62 1uhf s THR 44 Ca 0.47 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.04 1uhf s THR 44 Cb -0.10 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.21 1uhf s THR 44 CO 0.36 0.08 0.54 -0.83 -0.69 0.00 0.00 174.62 174.09 1uhf s GLY 45 N 1.57 1.99 -0.00 4.40 0.00 -0.71 -2.14 107.32 112.42 1uhf s GLY 45 Ca 0.04 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 42.92 1uhf s GLY 45 CO 0.05 -1.57 0.14 -0.45 0.00 0.00 0.00 173.10 171.27 1uhf s SER 46 N -4.32 0.01 -0.17 1.64 0.15 0.63 -2.92 113.70 108.72 1uhf s SER 46 Ca 0.53 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 1uhf s SER 46 Cb -0.08 0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1uhf s SER 46 CO 0.32 -0.36 0.07 -0.63 1.20 0.00 0.00 173.24 173.84 1uhf s ILE 47 N -1.32 0.06 0.00 6.45 1.01 -0.93 -0.67 121.20 125.81 1uhf s ILE 47 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1uhf s ILE 47 Cb -0.07 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1uhf s ILE 47 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1uhf n GLY 48 N 5.22 0.31 0.65 6.18 0.00 -1.26 0.16 105.19 116.45 1uhf n GLY 48 Ca -0.07 0.40 -0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 1.14 0.04 -4.84 1.61 8.00 -1.26 -5.11 116.55 116.14 1uhf n ASP 49 Ca 0.00 -1.69 -0.29 0.00 0.71 0.00 0.00 54.79 53.53 1uhf n ASP 49 Cb 0.00 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 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 3.12 -0.01 -1.24 0.52 0.12 -5.12 118.95 116.34 1uhf s ARG 50 Ca 0.04 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1uhf s ARG 50 Cb 0.04 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.69 1uhf s ARG 50 CO -0.02 0.55 -0.03 -1.54 0.02 0.00 0.00 175.30 174.28 1uhf s SER 51 N -2.73 0.47 -0.04 0.23 1.04 -1.26 -2.18 113.70 109.23 1uhf s SER 51 Ca 0.32 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.39 1uhf s SER 51 Cb -0.12 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 65.99 1uhf s SER 51 CO 0.25 0.01 1.31 -0.83 0.98 0.00 0.00 173.24 174.96 1uhf s GLY 52 N 0.23 -0.21 0.20 7.32 0.00 -1.15 -4.75 107.32 108.96 1uhf s GLY 52 Ca -0.02 0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.97 1uhf s GLY 52 CO -0.00 4.56 0.25 -0.26 0.00 0.00 0.00 173.10 177.64 1uhf s ILE 53 N -2.08 4.93 0.14 0.90 -4.36 0.21 -1.74 121.20 119.20 1uhf s ILE 53 Ca 0.26 -1.00 -0.15 0.00 -0.26 0.00 0.00 60.65 59.50 1uhf s ILE 53 Cb 0.01 -3.59 0.03 0.00 1.25 0.00 0.00 42.46 40.15 1uhf s ILE 53 CO -0.02 -0.21 0.41 0.72 0.24 0.00 0.00 174.94 176.08 1uhf s PHE 54 N -1.88 -0.13 -0.09 1.37 -0.12 -0.74 0.16 117.98 116.55 1uhf s PHE 54 Ca 0.33 -0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 56.71 1uhf s PHE 54 Cb -0.10 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 1uhf s PHE 54 CO 0.27 -0.74 1.24 -1.25 -0.05 0.00 0.00 175.22 174.69 1uhf s PRO 55 N -3.83 4.31 -0.92 1.99 0.04 -1.26 -2.84 135.00 132.49 1uhf s PRO 55 Ca 0.05 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1uhf s PRO 55 Cb 0.02 -3.63 -0.08 0.00 0.04 0.00 0.00 34.50 30.85 1uhf s PRO 55 CO -0.09 -0.54 2.37 -1.13 0.04 0.00 0.00 177.00 177.65 1uhf n SER 56 N 5.66 5.53 0.00 6.66 3.41 -1.15 -2.72 113.62 131.01 1uhf n SER 56 Ca 0.12 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1uhf n SER 56 Cb 0.46 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 3.82 0.00 0.00 4.04 5.15 -1.26 -4.85 115.26 122.16 1uhf n ASN 57 Ca 0.49 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.57 1uhf n ASN 57 Cb 0.23 0.13 0.58 0.00 -0.53 0.00 0.00 39.78 40.19 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 -1.98 0.00 -5.04 1.20 4.02 -1.10 -4.64 117.16 109.62 1uhf n TYR 58 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 1uhf n TYR 58 Cb 0.00 -0.03 -0.15 0.00 -0.02 0.00 0.00 39.34 39.13 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 -2.07 1.74 0.28 -0.72 -7.23 -1.26 0.17 120.40 111.31 1uhf s VAL 59 Ca 0.29 -0.98 0.11 0.00 -1.81 0.00 0.00 61.98 59.59 1uhf s VAL 59 Cb 0.14 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1uhf s VAL 59 CO 0.24 0.46 -0.15 -1.59 -0.31 0.00 0.00 175.10 173.75 1uhf s LYS 60 N -0.60 1.84 -0.31 4.82 -2.85 0.05 -4.90 119.74 117.80 1uhf s LYS 60 Ca 0.08 -1.69 -0.29 0.00 -1.00 0.00 0.00 55.97 53.08 1uhf s LYS 60 Cb -0.09 -1.87 -0.00 0.00 -2.06 0.00 0.00 37.83 33.82 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 -3.56 3.86 -0.77 1.78 0.04 -1.26 -0.15 135.00 134.94 1uhf s PRO 61 Ca 0.30 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 1uhf s PRO 61 Cb -0.05 -3.92 -0.17 0.00 0.04 0.00 0.00 34.50 30.41 1uhf s PRO 61 CO 0.16 -1.20 2.47 1.17 0.04 0.00 0.00 177.00 179.65 1uhf n LYS 62 N 7.45 0.49 -2.62 4.56 4.81 -0.71 -4.85 118.16 127.29 1uhf n LYS 62 Ca 0.15 -0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 1uhf n LYS 62 Cb 0.47 -2.54 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 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 9.36 7.30 -0.29 3.14 2.15 -1.26 -4.97 116.67 132.10 1uhf s ASP 63 Ca 1.14 1.81 -0.15 0.00 0.43 0.00 0.00 52.55 55.78 1uhf s ASP 63 Cb -0.60 -2.58 0.15 0.00 -0.30 0.00 0.00 42.92 39.58 1uhf s ASP 63 CO 0.35 -0.28 0.92 -0.44 -0.17 0.00 0.00 175.17 175.55 1uhf s SER 64 N 0.77 -0.64 0.00 -0.34 0.01 -1.26 -5.08 113.70 107.16 1uhf s SER 64 Ca 0.53 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1uhf s SER 64 Cb -0.24 1.52 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1uhf s SER 64 CO 0.29 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1uhf n GLY 65 N 4.45 0.80 2.87 3.44 0.00 -1.26 -4.98 105.19 110.51 1uhf n GLY 65 Ca -0.14 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 2.22 -2.75 1.61 -0.04 -1.26 -4.53 135.00 130.26 1uhf n PRO 66 Ca 0.00 -2.15 -0.02 0.00 -0.04 0.00 0.00 63.50 61.30 1uhf n PRO 66 Cb 0.00 -3.03 -0.01 0.00 -0.04 0.00 0.00 33.50 30.42 1uhf n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhf n SER 67 N 6.46 -5.79 -4.67 3.54 2.88 -1.26 -4.78 113.62 109.99 1uhf n SER 67 Ca 0.52 1.31 -0.45 0.00 -1.33 0.00 0.00 58.87 58.92 1uhf n SER 67 Cb 0.37 -4.85 -0.04 0.00 -0.75 0.00 0.00 64.21 58.94 1uhf n SER 67 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhf n SER 68 N 1.11 3.87 0.00 -3.46 7.64 -1.26 -5.30 113.62 116.22 1uhf n SER 68 Ca -0.12 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1uhf n SER 68 Cb 0.23 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64