#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 -0.23 -0.19 1.61 0.15 -1.26 -5.14 113.70 108.64 1uhf s SER 2 Ca 0.00 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 55.99 1uhf s SER 2 Cb 0.00 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1uhf s SER 2 CO 0.00 -0.96 0.65 -0.55 1.20 0.00 0.00 173.24 173.58 1uhf s SER 3 N -2.85 6.71 0.00 5.45 0.15 -1.26 -4.84 113.70 117.07 1uhf s SER 3 Ca 0.07 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1uhf s SER 3 Cb 0.01 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1uhf s SER 3 CO -0.06 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1uhf n GLY 4 N 3.75 -0.08 2.83 9.45 0.00 -1.26 -5.07 105.19 114.81 1uhf n GLY 4 Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.88 -0.43 1.61 0.01 -1.26 -5.07 113.70 105.43 1uhf s SER 5 Ca 0.00 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.22 1uhf s SER 5 Cb 0.00 0.74 0.17 0.00 0.21 0.00 0.00 66.02 67.14 1uhf s SER 5 CO 0.00 -0.32 0.44 -0.44 0.41 0.00 0.00 173.24 173.33 1uhf s SER 6 N 2.43 0.66 -0.59 2.44 0.01 -1.26 -5.07 113.70 112.32 1uhf s SER 6 Ca 0.10 -2.54 -0.05 0.00 1.31 0.00 0.00 55.95 54.77 1uhf s SER 6 Cb -0.15 0.29 0.15 0.00 0.21 0.00 0.00 66.02 66.52 1uhf s SER 6 CO -0.17 -0.15 0.42 -0.83 0.41 0.00 0.00 173.24 172.92 1uhf s GLY 7 N 0.44 2.38 1.13 3.44 0.00 -1.26 -5.08 107.32 108.36 1uhf s GLY 7 Ca 0.30 -3.06 -0.13 0.00 0.00 0.00 0.00 44.72 41.83 1uhf s GLY 7 CO -0.14 1.10 1.05 -0.32 0.00 0.00 0.00 173.10 174.80 1uhf s GLY 8 N 1.23 1.54 -0.19 0.20 0.00 -1.26 -5.02 107.32 103.83 1uhf s GLY 8 Ca 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.54 1uhf s GLY 8 CO -0.04 0.42 -0.06 -0.54 0.00 0.00 0.00 173.10 172.88 1uhf s GLU 9 N -4.68 3.43 0.24 2.90 0.41 0.56 -4.95 118.70 116.61 1uhf s GLU 9 Ca 0.67 -0.62 -0.28 0.00 -0.41 0.00 0.00 54.97 54.33 1uhf s GLU 9 Cb -0.22 -2.90 -0.09 0.00 -1.78 0.00 0.00 34.13 29.14 1uhf s GLU 9 CO 0.62 -0.02 0.90 -1.21 -0.49 0.00 0.00 175.26 175.06 1uhf s GLU 10 N 1.00 4.74 0.01 1.61 0.41 -1.26 -1.26 118.70 123.95 1uhf s GLU 10 Ca -0.00 1.38 -0.02 0.00 -0.41 0.00 0.00 54.97 55.92 1uhf s GLU 10 Cb -0.15 -3.20 -0.01 0.00 -1.78 0.00 0.00 34.13 29.00 1uhf s GLU 10 CO -0.00 0.49 0.02 0.71 -0.49 0.00 0.00 175.26 175.99 1uhf s TYR 11 N -1.24 0.14 -0.26 1.61 2.02 -0.94 -1.90 117.35 116.77 1uhf s TYR 11 Ca 0.41 -0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.72 1uhf s TYR 11 Cb -0.24 -0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1uhf s TYR 11 CO 0.29 -0.16 0.15 0.42 -1.57 0.00 0.00 175.55 174.69 1uhf s ILE 12 N -1.05 5.07 -0.45 2.71 -1.09 0.27 -2.13 121.20 124.54 1uhf s ILE 12 Ca -0.12 0.09 -0.27 0.00 -2.23 0.00 0.00 60.65 58.12 1uhf s ILE 12 Cb -0.07 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 1uhf s ILE 12 CO -0.00 0.29 1.91 0.00 -1.23 0.00 0.00 174.94 175.91 1uhf s ALA 13 N 1.57 2.46 0.07 9.38 0.00 -0.61 -0.89 121.76 133.74 1uhf s ALA 13 Ca 0.07 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 1uhf s ALA 13 Cb -0.15 -4.16 -0.17 0.00 0.00 0.00 0.00 23.12 18.63 1uhf s ALA 13 CO 0.08 -3.32 1.62 -0.07 0.00 0.00 0.00 175.76 174.08 1uhf h LEU 14 N 15.43 -0.44 -9.02 0.00 3.38 -1.74 0.62 115.31 123.54 1uhf h LEU 14 Ca -0.30 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.00 1uhf h LEU 14 Cb 1.18 0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.85 1uhf h LEU 14 CO 1.11 -0.28 -0.83 -0.31 0.09 0.00 0.00 178.44 178.22 1uhf s TYR 15 N -5.95 2.30 -0.09 1.13 2.02 -1.25 -4.52 117.35 111.00 1uhf s TYR 15 Ca -0.16 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 1uhf s TYR 15 Cb 0.04 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.42 1uhf s TYR 15 CO 0.63 0.48 1.24 -1.25 -1.57 0.00 0.00 175.55 175.07 1uhf s PRO 16 N -2.59 4.31 -0.21 -1.71 0.04 -1.26 -4.18 135.00 129.40 1uhf s PRO 16 Ca 0.20 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 1uhf s PRO 16 Cb -0.08 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1uhf s PRO 16 CO 0.09 -0.55 -0.09 -0.47 0.04 0.00 0.00 177.00 176.03 1uhf s TYR 17 N 2.67 2.91 -0.12 0.56 5.04 0.49 -4.87 117.35 124.04 1uhf s TYR 17 Ca 0.56 -1.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.05 1uhf s TYR 17 Cb -0.24 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.03 1uhf s TYR 17 CO 0.20 -0.63 -0.19 -1.12 -1.34 0.00 0.00 175.55 172.47 1uhf s SER 18 N 1.42 2.77 0.06 4.32 0.01 -1.26 -1.02 113.70 120.00 1uhf s SER 18 Ca 0.05 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 56.88 1uhf s SER 18 Cb -0.14 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1uhf s SER 18 CO -0.06 0.06 -0.20 -0.44 0.41 0.00 0.00 173.24 173.01 1uhf s SER 19 N 0.80 3.65 0.18 2.44 0.01 -1.26 -5.01 113.70 114.52 1uhf s SER 19 Ca -0.09 -0.50 0.25 0.00 1.31 0.00 0.00 55.95 56.92 1uhf s SER 19 Cb -0.16 -0.51 0.56 0.00 0.21 0.00 0.00 66.02 66.12 1uhf s SER 19 CO 0.00 0.24 1.55 -0.37 0.41 0.00 0.00 173.24 175.07 1uhf h VAL 20 N 3.95 0.00 -2.92 3.43 -1.51 -2.00 -3.45 116.25 113.74 1uhf h VAL 20 Ca -0.48 -0.53 -0.62 0.00 -1.23 0.00 0.00 66.70 63.84 1uhf h VAL 20 Cb 1.16 1.33 -0.06 0.00 -2.13 0.00 0.00 31.29 31.59 1uhf h VAL 20 CO 0.46 0.00 -0.27 -1.61 -1.23 0.00 0.00 177.57 174.91 1uhf s GLU 21 N -3.14 3.80 0.00 5.19 2.02 -1.26 -4.96 118.70 120.35 1uhf s GLU 21 Ca 0.08 0.27 0.23 0.00 0.02 0.00 0.00 54.97 55.58 1uhf s GLU 21 Cb 0.12 -3.22 1.39 0.00 0.10 0.00 0.00 34.13 32.53 1uhf s GLU 21 CO 0.66 0.71 1.77 -0.35 0.02 0.00 0.00 175.26 178.06 1uhf n PRO 22 N 1.89 0.75 0.02 0.39 -0.04 -1.26 -3.07 135.00 133.67 1uhf n PRO 22 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.11 1uhf n PRO 22 Cb 0.53 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 3.77 0.27 -4.52 0.55 0.00 -1.92 -3.45 103.07 97.76 1uhf h GLY 23 Ca 0.00 -0.68 -0.54 0.00 0.00 0.00 0.00 47.33 46.10 1uhf h GLY 23 CO 0.00 0.60 0.24 0.99 0.00 0.00 0.00 176.54 178.37 1uhf s ASP 24 N -6.88 7.26 0.20 0.19 1.01 -1.18 -2.46 116.67 114.82 1uhf s ASP 24 Ca -0.16 1.52 -0.30 0.00 0.71 0.00 0.00 52.55 54.31 1uhf s ASP 24 Cb 0.01 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1uhf s ASP 24 CO 0.79 -0.10 1.38 -0.22 0.21 0.00 0.00 175.17 177.23 1uhf s LEU 25 N 0.41 4.40 -0.05 1.23 2.96 0.74 -4.73 118.68 123.64 1uhf s LEU 25 Ca 0.43 2.49 -0.04 0.00 -0.22 0.00 0.00 54.13 56.79 1uhf s LEU 25 Cb -0.21 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 1uhf s LEU 25 CO 0.25 -0.62 0.17 0.42 -1.32 0.00 0.00 176.35 175.24 1uhf s THR 26 N 0.31 5.44 0.09 3.68 -4.23 -1.26 -4.77 115.64 114.89 1uhf s THR 26 Ca 0.60 -0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.79 1uhf s THR 26 Cb -0.39 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.06 1uhf s THR 26 CO 0.38 0.42 1.07 0.72 -0.54 0.00 0.00 174.62 176.68 1uhf s PHE 27 N -1.22 -0.10 0.53 3.99 -0.71 -0.19 -5.04 117.98 115.22 1uhf s PHE 27 Ca 0.23 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 56.02 1uhf s PHE 27 Cb -0.12 0.60 0.01 0.00 -1.21 0.00 0.00 43.02 42.30 1uhf s PHE 27 CO 0.14 -0.62 0.12 0.95 -1.34 0.00 0.00 175.22 174.47 1uhf s THR 28 N -2.97 1.26 0.17 -4.49 -4.23 -1.26 -0.38 115.64 103.74 1uhf s THR 28 Ca 0.13 -1.85 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1uhf s THR 28 Cb 0.01 -2.11 -0.08 0.00 1.34 0.00 0.00 72.50 71.66 1uhf s THR 28 CO -0.00 0.00 1.14 -0.70 -0.54 0.00 0.00 174.62 174.52 1uhf s GLU 29 N -4.01 4.55 0.00 3.99 -6.30 -1.26 -2.82 118.70 112.85 1uhf s GLU 29 Ca 0.13 1.77 0.00 0.00 -2.50 0.00 0.00 54.97 54.37 1uhf s GLU 29 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 34.13 30.86 1uhf s GLU 29 CO 0.08 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1uhf n GLY 30 N 2.17 3.31 3.77 -1.50 0.00 0.22 -4.92 105.19 108.25 1uhf n GLY 30 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.66 3.94 -0.42 1.61 8.01 -1.13 -4.61 118.70 125.45 1uhf s GLU 31 Ca 0.00 2.36 -0.17 0.00 0.01 0.00 0.00 54.97 57.17 1uhf s GLU 31 Cb 0.00 -2.81 0.02 0.00 -4.31 0.00 0.00 34.13 27.03 1uhf s GLU 31 CO 0.00 -0.59 0.44 -1.21 0.01 0.00 0.00 175.26 173.91 1uhf s GLU 32 N -2.23 3.12 -0.16 1.61 2.02 -1.26 -1.58 118.70 120.22 1uhf s GLU 32 Ca 0.56 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.74 1uhf s GLU 32 Cb -0.42 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 29.80 1uhf s GLU 32 CO 0.56 -0.84 0.11 0.42 0.02 0.00 0.00 175.26 175.53 1uhf s ILE 33 N 2.14 5.27 -0.53 -1.63 1.09 -0.90 -4.87 121.20 121.77 1uhf s ILE 33 Ca 0.12 0.13 -0.18 0.00 -1.10 0.00 0.00 60.65 59.62 1uhf s ILE 33 Cb -0.17 -3.35 0.08 0.00 -1.06 0.00 0.00 42.46 37.96 1uhf s ILE 33 CO 0.14 0.51 0.60 -0.22 -0.10 0.00 0.00 174.94 175.87 1uhf s LEU 34 N -0.18 5.30 0.01 2.97 2.96 0.14 -2.22 118.68 127.66 1uhf s LEU 34 Ca 0.10 -1.21 -0.26 0.00 -0.22 0.00 0.00 54.13 52.54 1uhf s LEU 34 Cb -0.12 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1uhf s LEU 34 CO 0.01 -0.92 0.79 -0.69 -1.32 0.00 0.00 176.35 174.22 1uhf s VAL 35 N 2.40 4.82 0.00 1.68 1.01 -0.39 0.79 120.40 130.70 1uhf s VAL 35 Ca 0.11 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1uhf s VAL 35 Cb -0.22 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1uhf s VAL 35 CO 0.09 0.30 0.00 0.35 0.00 0.00 0.00 175.10 175.84 1uhf n THR 36 N 3.21 0.00 -5.11 3.92 -2.24 -1.04 -0.32 114.28 112.69 1uhf n THR 36 Ca -0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1uhf n THR 36 Cb 0.51 -0.46 -0.16 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 -1.91 3.11 -0.35 -0.78 -0.44 -1.21 -4.94 119.66 113.13 1uhf s GLN 37 Ca 0.00 -0.83 0.01 0.00 -2.50 0.00 0.00 55.36 52.04 1uhf s GLN 37 Cb 0.00 -2.38 0.09 0.00 -1.64 0.00 0.00 33.01 29.08 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 0.31 1.84 -0.45 1.67 1.02 -1.26 0.19 119.74 123.06 1uhf s LYS 38 Ca -0.16 -1.73 -0.13 0.00 0.02 0.00 0.00 55.97 53.97 1uhf s LYS 38 Cb -0.17 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 33.93 1uhf s LYS 38 CO 0.08 -0.90 0.34 -0.51 -0.92 0.00 0.00 175.35 173.44 1uhf s ASP 39 N 1.25 5.94 1.99 2.83 1.01 -1.09 -4.95 116.67 123.65 1uhf s ASP 39 Ca 0.06 -1.39 0.00 0.00 0.71 0.00 0.00 52.55 51.93 1uhf s ASP 39 Cb -0.20 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1uhf s ASP 39 CO -0.06 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1uhf n GLY 40 N 5.08 3.87 0.13 0.21 0.00 -1.26 -2.19 105.19 111.05 1uhf n GLY 40 Ca -0.11 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1uhf n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uhf n GLU 41 N 11.59 0.73 -2.97 1.61 2.13 -1.26 -4.79 120.64 127.68 1uhf n GLU 41 Ca 0.00 0.24 -0.42 0.00 0.66 0.00 0.00 57.16 57.64 1uhf n GLU 41 Cb 0.00 -1.67 -0.05 0.00 0.27 0.00 0.00 31.44 29.99 1uhf n GLU 41 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1uhf s TRP 42 N -2.55 3.11 0.19 4.31 0.52 -0.93 -3.47 118.94 120.13 1uhf s TRP 42 Ca -0.24 0.54 0.04 0.00 0.02 0.00 0.00 56.10 56.46 1uhf s TRP 42 Cb 0.07 -3.38 -0.03 0.00 -1.15 0.00 0.00 33.47 28.97 1uhf s TRP 42 CO 0.74 -0.73 0.29 -1.58 0.02 0.00 0.00 176.95 175.69 1uhf s TRP 43 N 3.07 3.42 -0.34 -1.98 0.51 -1.07 -2.67 118.94 119.89 1uhf s TRP 43 Ca 0.31 0.04 -0.19 0.00 -2.12 0.00 0.00 56.10 54.14 1uhf s TRP 43 Cb -0.13 -1.60 -0.00 0.00 -0.81 0.00 0.00 33.47 30.92 1uhf s TRP 43 CO 0.17 0.49 0.55 0.99 -0.51 0.00 0.00 176.95 178.64 1uhf s THR 44 N -1.85 4.99 0.28 2.01 2.01 0.49 -2.21 115.64 121.35 1uhf s THR 44 Ca 0.34 0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.86 1uhf s THR 44 Cb -0.10 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1uhf s THR 44 CO 0.28 -0.21 0.42 -0.83 -0.69 0.00 0.00 174.62 173.60 1uhf s GLY 45 N 1.74 1.26 0.00 4.40 0.00 -0.93 -2.50 107.32 111.30 1uhf s GLY 45 Ca 0.21 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1uhf s GLY 45 CO 0.13 -1.13 -0.04 -0.45 0.00 0.00 0.00 173.10 171.61 1uhf s SER 46 N -4.00 0.51 -0.17 1.64 0.15 0.24 -3.15 113.70 108.91 1uhf s SER 46 Ca 0.36 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.83 1uhf s SER 46 Cb -0.09 -0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.24 1uhf s SER 46 CO 0.31 0.01 0.07 -0.63 1.20 0.00 0.00 173.24 174.20 1uhf s ILE 47 N -0.29 0.09 0.00 6.45 1.01 -0.98 0.24 121.20 127.73 1uhf s ILE 47 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1uhf s ILE 47 Cb -0.03 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.76 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 5.21 0.29 0.84 6.18 0.00 -1.26 -0.57 105.19 115.88 1uhf n GLY 48 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 1.16 -0.36 -4.73 1.61 -0.08 -1.26 -5.12 116.55 107.77 1uhf n ASP 49 Ca 0.00 -1.65 -0.25 0.00 -1.51 0.00 0.00 54.79 51.39 1uhf n ASP 49 Cb 0.00 0.09 -0.06 0.00 2.34 0.00 0.00 41.12 43.49 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 2.63 0.08 -0.67 0.52 0.26 -5.13 118.95 116.64 1uhf s ARG 50 Ca 0.04 -1.09 -0.09 0.00 -0.52 0.00 0.00 55.73 54.06 1uhf s ARG 50 Cb 0.04 -2.44 -0.00 0.00 0.52 0.00 0.00 34.95 33.07 1uhf s ARG 50 CO -0.02 0.43 0.19 -1.54 0.02 0.00 0.00 175.30 174.39 1uhf s SER 51 N -3.33 0.11 0.00 0.23 1.04 -1.26 -2.31 113.70 108.18 1uhf s SER 51 Ca 0.30 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1uhf s SER 51 Cb -0.09 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1uhf s SER 51 CO 0.21 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1uhf n GLY 52 N 0.00 -2.26 3.90 7.32 0.00 -1.19 -4.55 105.19 108.42 1uhf n GLY 52 Ca -0.15 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.42 5.08 0.16 -0.61 -4.36 -1.03 -2.18 121.20 115.84 1uhf s ILE 53 Ca 0.00 -0.77 -0.24 0.00 -0.26 0.00 0.00 60.65 59.38 1uhf s ILE 53 Cb 0.00 -3.60 0.06 0.00 1.25 0.00 0.00 42.46 40.18 1uhf s ILE 53 CO 0.00 -0.07 0.70 0.72 0.24 0.00 0.00 174.94 176.53 1uhf s PHE 54 N -1.72 -0.40 -0.00 1.37 -0.71 -0.94 -0.19 117.98 115.40 1uhf s PHE 54 Ca 0.33 0.14 -0.30 0.00 -1.04 0.00 0.00 56.93 56.07 1uhf s PHE 54 Cb -0.11 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1uhf s PHE 54 CO 0.27 -0.88 1.19 -1.25 -1.34 0.00 0.00 175.22 173.21 1uhf s PRO 55 N -3.64 4.40 0.04 1.99 0.04 -1.26 -2.58 135.00 133.98 1uhf s PRO 55 Ca 0.05 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 1uhf s PRO 55 Cb -0.02 -3.46 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 1uhf s PRO 55 CO -0.07 -0.35 1.24 0.66 0.04 0.00 0.00 177.00 178.52 1uhf h SER 56 N 7.15 0.59 0.12 6.66 4.64 -1.90 -2.79 113.55 128.02 1uhf h SER 56 Ca -0.38 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.31 1uhf h SER 56 Cb 1.19 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1uhf h SER 56 CO 0.84 1.12 0.00 -0.46 -0.87 0.00 0.00 176.83 177.46 1uhf n ASN 57 N -4.27 0.52 -0.75 4.97 6.94 -1.26 0.16 115.26 121.58 1uhf n ASN 57 Ca -0.08 0.72 0.09 0.00 -0.02 0.00 0.00 54.58 55.30 1uhf n ASN 57 Cb 0.57 -0.80 0.27 0.00 -2.36 0.00 0.00 39.78 37.46 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 -2.18 0.42 -3.99 -2.53 4.02 -1.05 -4.85 117.16 107.00 1uhf n TYR 58 Ca -0.01 -0.21 -0.12 0.00 -0.01 0.00 0.00 57.90 57.55 1uhf n TYR 58 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.58 0.20 0.17 -0.72 -7.23 0.12 -2.09 120.40 109.27 1uhf s VAL 59 Ca 0.32 -0.40 0.07 0.00 -1.81 0.00 0.00 61.98 60.16 1uhf s VAL 59 Cb 0.17 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.84 1uhf s VAL 59 CO 0.24 -0.14 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.30 1uhf s LYS 60 N -0.57 2.39 -0.29 4.82 -2.85 -0.07 -4.87 119.74 118.30 1uhf s LYS 60 Ca -0.04 -1.11 -0.29 0.00 -1.00 0.00 0.00 55.97 53.53 1uhf s LYS 60 Cb -0.04 -2.35 -0.00 0.00 -2.06 0.00 0.00 37.83 33.38 1uhf s LYS 60 CO -0.00 0.46 1.35 -1.25 0.10 0.00 0.00 175.35 176.00 1uhf s PRO 61 N -2.92 3.90 -0.74 1.78 0.04 -1.26 0.96 135.00 136.76 1uhf s PRO 61 Ca 0.27 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.36 1uhf s PRO 61 Cb -0.09 -3.90 -0.15 0.00 0.04 0.00 0.00 34.50 30.39 1uhf s PRO 61 CO 0.18 -1.14 2.48 1.17 0.04 0.00 0.00 177.00 179.73 1uhf n LYS 62 N 7.36 0.55 -2.51 4.56 4.81 -0.80 -4.85 118.16 127.28 1uhf n LYS 62 Ca 0.15 -0.12 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 1uhf n LYS 62 Cb 0.46 -2.65 -0.04 0.00 0.02 0.00 0.00 35.03 32.82 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 9.93 6.64 0.54 3.14 2.15 -1.26 -4.88 116.67 132.93 1uhf s ASP 63 Ca 1.12 1.52 0.00 0.00 0.43 0.00 0.00 52.55 55.62 1uhf s ASP 63 Cb -0.57 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 39.57 1uhf s ASP 63 CO 0.34 -0.53 0.00 -0.24 -0.17 0.00 0.00 175.17 174.56 1uhf n SER 64 N -1.43 -7.97 -3.34 -0.34 2.88 -1.26 -4.93 113.62 97.23 1uhf n SER 64 Ca 0.06 1.21 -0.13 0.00 -1.33 0.00 0.00 58.87 58.68 1uhf n SER 64 Cb 0.54 -4.76 -0.07 0.00 -0.75 0.00 0.00 64.21 59.17 1uhf n SER 64 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhf s GLY 65 N -7.13 -0.33 -0.19 0.46 0.00 -1.26 -5.12 107.32 93.74 1uhf s GLY 65 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 1uhf s GLY 65 CO 0.00 2.87 1.29 2.56 0.00 0.00 0.00 173.10 179.82 1uhf s PRO 66 N 2.19 4.16 -0.06 2.90 0.04 -1.26 -4.90 135.00 138.07 1uhf s PRO 66 Ca 0.12 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1uhf s PRO 66 Cb -0.13 -3.80 -0.27 0.00 0.04 0.00 0.00 34.50 30.34 1uhf s PRO 66 CO -0.24 -0.81 0.62 0.77 0.04 0.00 0.00 177.00 177.38 1uhf h SER 67 N 8.51 0.40 -5.37 6.66 0.02 -2.05 -3.49 113.55 118.22 1uhf h SER 67 Ca -0.27 -0.70 -0.04 0.00 -0.84 0.00 0.00 61.79 59.95 1uhf h SER 67 Cb 1.10 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 63.55 1uhf h SER 67 CO 0.98 1.61 -0.13 -0.24 -1.14 0.00 0.00 176.83 177.91 1uhf n SER 68 N -3.44 -7.61 0.00 3.07 2.88 -1.26 -5.39 113.62 101.88 1uhf n SER 68 Ca -0.24 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1uhf n SER 68 Cb 1.05 -5.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42