#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hug n HIS 25 N 0.00 -2.04 0.25 -0.67 -0.00 -1.26 -4.91 115.22 106.59 3hug n HIS 25 Ca 0.00 0.72 0.08 0.00 -0.00 0.00 0.00 57.72 58.52 3hug n HIS 25 Cb 0.00 -4.05 0.62 0.00 -0.00 0.00 0.00 29.99 26.56 3hug n HIS 25 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 3hug h HIS 26 N -1.70 0.00 -0.07 1.57 2.07 -2.09 -3.24 115.15 111.68 3hug h HIS 26 Ca -0.63 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 56.91 3hug h HIS 26 Cb 1.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.33 3hug h HIS 26 CO 0.39 0.08 0.15 1.88 -3.07 0.00 0.00 177.93 177.36 3hug h TYR 27 N 0.00 0.00 0.00 6.12 0.05 -2.02 -1.81 116.97 119.31 3hug h TYR 27 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hug h TYR 27 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 3hug h TYR 27 CO 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 178.16 177.10 3hug h ALA 28 N 1.77 1.13 -0.01 3.88 0.00 -1.95 0.64 119.26 124.72 3hug h ALA 28 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hug h ALA 28 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hug h ALA 28 CO -0.00 0.01 -0.27 -1.33 0.00 0.00 0.00 179.25 177.66 3hug n MET 29 N -3.28 0.83 0.12 0.00 2.81 -0.68 -3.99 117.12 112.94 3hug n MET 29 Ca -0.03 -0.49 0.12 0.00 -1.81 0.00 0.00 57.70 55.49 3hug n MET 29 Cb 0.09 -1.49 0.27 0.00 -0.71 0.00 0.00 33.22 31.38 3hug n MET 29 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 3hug h TRP 30 N 1.20 0.00 -0.50 2.03 4.06 -1.02 -3.41 115.95 118.32 3hug h TRP 30 Ca 0.00 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.05 3hug h TRP 30 Cb 0.51 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.59 3hug h TRP 30 CO 0.00 0.00 -0.01 0.38 -3.56 0.00 0.00 178.44 175.25 3hug h ASP 31 N 0.00 -0.24 -0.27 -3.49 2.03 -1.69 -1.11 116.42 111.64 3hug h ASP 31 Ca 0.00 0.12 -0.02 0.00 -0.73 0.00 0.00 57.03 56.40 3hug h ASP 31 Cb 0.82 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 3hug h ASP 31 CO 0.00 -0.08 0.09 0.00 -1.03 0.00 0.00 179.24 178.22 3hug h ALA 32 N 1.45 0.36 -0.49 4.15 0.00 -1.90 -1.92 119.26 120.91 3hug h ALA 32 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hug h ALA 32 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hug h ALA 32 CO -0.43 -0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.07 3hug h ALA 33 N 0.93 1.57 -0.05 0.00 0.00 -1.71 -0.87 119.26 119.12 3hug h ALA 33 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hug h ALA 33 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hug h ALA 33 CO -0.00 0.37 -0.01 -0.92 0.00 0.00 0.00 179.25 178.69 3hug h TYR 34 N 0.67 0.11 0.00 0.00 3.20 -0.88 -0.29 116.97 119.78 3hug h TYR 34 Ca 0.17 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3hug h TYR 34 Cb 0.01 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3hug h TYR 34 CO 0.00 0.42 -0.32 0.28 -1.64 0.00 0.00 178.16 176.91 3hug h VAL 35 N -0.23 0.72 0.00 1.81 2.07 -1.02 -2.69 116.25 116.90 3hug h VAL 35 Ca 0.01 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3hug h VAL 35 Cb 0.38 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3hug h VAL 35 CO 0.00 0.31 -0.56 0.18 0.02 0.00 0.00 177.57 177.52 3hug n LEU 36 N -3.43 0.62 0.00 2.57 4.77 -0.36 -4.83 117.00 116.34 3hug n LEU 36 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3hug n LEU 36 Cb 0.50 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hug n LEU 36 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3hug n GLY 37 N 1.39 0.69 0.21 -0.72 0.00 -0.61 -4.96 105.19 101.18 3hug n GLY 37 Ca 0.04 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.47 3hug n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hug n ALA 38 N -0.33 3.67 -2.05 4.61 0.00 -0.22 -4.91 120.51 121.29 3hug n ALA 38 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 3hug n ALA 38 Cb 0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3hug n ALA 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hug s LEU 39 N -2.71 4.43 1.07 0.00 1.02 -1.20 -5.02 118.68 116.27 3hug s LEU 39 Ca 0.16 2.29 -0.13 0.00 0.02 0.00 0.00 54.13 56.48 3hug s LEU 39 Cb 0.18 -3.61 0.23 0.00 0.02 0.00 0.00 46.19 43.01 3hug s LEU 39 CO 0.65 -0.44 1.07 -0.94 0.02 0.00 0.00 176.35 176.70 3hug s SER 40 N 0.26 1.90 0.21 2.29 1.04 -1.26 -4.67 113.70 113.47 3hug s SER 40 Ca 0.55 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 58.20 3hug s SER 40 Cb -0.34 -2.05 0.28 0.00 0.10 0.00 0.00 66.02 64.02 3hug s SER 40 CO 0.37 -3.60 1.69 0.00 0.98 0.00 0.00 173.24 172.68 3hug h ALA 41 N -2.21 0.65 -0.20 5.32 0.00 -1.99 -0.03 119.26 120.78 3hug h ALA 41 Ca -0.58 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 3hug h ALA 41 Cb 1.33 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3hug h ALA 41 CO 0.54 -0.35 -0.47 0.00 0.00 0.00 0.00 179.25 178.97 3hug h ALA 42 N 1.50 0.33 -0.52 0.00 0.00 -1.99 -2.64 119.26 115.94 3hug h ALA 42 Ca 0.31 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3hug h ALA 42 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hug h ALA 42 CO -0.45 0.49 0.08 -0.44 0.00 0.00 0.00 179.25 178.93 3hug h ASP 43 N 0.38 0.84 -0.61 0.00 5.19 -1.82 0.42 116.42 120.81 3hug h ASP 43 Ca -0.00 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.11 3hug h ASP 43 Cb 1.08 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 3hug h ASP 43 CO 0.10 0.89 0.27 -0.09 -3.12 0.00 0.00 179.24 177.29 3hug h ARG 44 N 0.75 0.90 -0.67 3.56 2.43 -1.03 0.46 114.38 120.79 3hug h ARG 44 Ca 0.16 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3hug h ARG 44 Cb 0.41 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3hug h ARG 44 CO 0.01 0.75 0.34 0.00 -1.51 0.00 0.00 179.97 179.56 3hug h ARG 45 N 0.85 0.95 -0.21 0.20 3.08 -1.35 0.73 114.38 118.63 3hug h ARG 45 Ca 0.21 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3hug h ARG 45 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3hug h ARG 45 CO -0.02 0.75 0.12 1.49 -1.07 0.00 0.00 179.97 181.24 3hug h GLU 46 N 0.92 0.29 -0.60 0.04 4.81 0.03 -1.83 114.58 118.25 3hug h GLU 46 Ca 0.23 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3hug h GLU 46 Cb 0.09 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3hug h GLU 46 CO -0.03 0.26 0.01 0.35 -0.73 0.00 0.00 179.01 178.86 3hug h PHE 47 N 0.25 1.13 -0.61 0.92 3.57 0.08 -1.95 116.94 120.33 3hug h PHE 47 Ca 0.08 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 3hug h PHE 47 Cb 0.04 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3hug h PHE 47 CO -0.04 0.99 0.32 0.93 -2.23 0.00 0.00 178.31 178.27 3hug h GLU 48 N 0.95 0.87 -0.18 1.11 5.08 -0.71 0.25 114.58 121.95 3hug h GLU 48 Ca 0.17 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3hug h GLU 48 Cb 0.54 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hug h GLU 48 CO 0.03 0.68 -0.01 0.00 -1.00 0.00 0.00 179.01 178.70 3hug h ALA 49 N 1.14 0.15 -0.31 3.43 0.00 -1.20 -2.16 119.26 120.31 3hug h ALA 49 Ca 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hug h ALA 49 Cb 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hug h ALA 49 CO -0.03 -0.45 0.09 1.25 0.00 0.00 0.00 179.25 180.11 3hug h HIS 50 N 0.04 0.44 -0.34 0.00 -0.00 -0.78 -2.20 115.15 112.32 3hug h HIS 50 Ca 0.09 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 3hug h HIS 50 Cb 0.11 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 3hug h HIS 50 CO -0.18 0.38 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.02 3hug h LEU 51 N 0.44 0.51 -1.57 0.26 3.38 0.04 -2.22 115.31 116.15 3hug h LEU 51 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hug h LEU 51 Cb 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hug h LEU 51 CO -0.01 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.14 3hug h ALA 52 N 1.45 1.00 0.00 1.53 0.00 -0.79 -2.66 119.26 119.79 3hug h ALA 52 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hug h ALA 52 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hug h ALA 52 CO 0.02 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.67 3hug n GLY 53 N -0.59 2.87 2.65 0.00 0.00 -0.87 -4.98 105.19 104.26 3hug n GLY 53 Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3hug n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hug h PRO 55 N 7.65 0.26 -0.14 0.00 0.13 -1.90 -1.74 132.00 136.25 3hug h PRO 55 Ca -0.08 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 3hug h PRO 55 Cb 0.99 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3hug h PRO 55 CO 0.43 0.17 0.05 0.93 -0.23 0.00 0.00 178.00 179.36 3hug h GLU 56 N 0.27 0.21 -0.32 0.86 3.07 -1.96 -1.41 114.58 115.30 3hug h GLU 56 Ca 0.20 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 3hug h GLU 56 Cb 0.46 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3hug h GLU 56 CO -0.04 0.31 -0.36 0.00 -1.40 0.00 0.00 179.01 177.52 3hug h ARG 58 N 0.58 0.34 -0.47 0.00 3.08 -1.34 -0.74 114.38 115.84 3hug h ARG 58 Ca 0.05 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3hug h ARG 58 Cb 0.95 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3hug h ARG 58 CO 0.09 0.23 0.00 0.78 -1.07 0.00 0.00 179.97 180.00 3hug h GLY 59 N 0.36 0.83 0.72 0.04 0.00 -0.62 -1.97 103.07 102.42 3hug h GLY 59 Ca 0.40 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3hug h GLY 59 CO -0.44 0.51 -0.05 0.00 0.00 0.00 0.00 176.54 176.55 3hug h ALA 60 N 1.28 -0.15 -0.35 3.60 0.00 -0.31 -0.96 119.26 122.37 3hug h ALA 60 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hug h ALA 60 Cb 0.44 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hug h ALA 60 CO 0.02 -0.44 0.18 -0.39 0.00 0.00 0.00 179.25 178.62 3hug h VAL 61 N -0.44 1.12 -0.61 0.00 -1.51 -1.13 -2.37 116.25 111.31 3hug h VAL 61 Ca -0.02 -0.31 -0.08 0.00 -1.23 0.00 0.00 66.70 65.07 3hug h VAL 61 Cb 0.36 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 3hug h VAL 61 CO 0.03 0.13 0.08 0.74 -1.23 0.00 0.00 177.57 177.32 3hug h THR 62 N 0.48 1.26 -0.15 7.19 2.02 -1.12 -0.43 112.91 122.16 3hug h THR 62 Ca 0.12 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 3hug h THR 62 Cb 0.03 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3hug h THR 62 CO -0.02 0.38 -0.01 -0.33 0.37 0.00 0.00 175.52 175.91 3hug h GLU 63 N 0.92 0.21 -0.00 6.66 5.08 -0.69 -3.12 114.58 123.65 3hug h GLU 63 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hug h GLU 63 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hug h GLU 63 CO 0.02 0.24 -0.64 1.28 -1.00 0.00 0.00 179.01 178.90 3hug n LEU 64 N -4.40 0.98 -0.08 1.33 4.77 -0.70 -4.51 117.00 114.38 3hug n LEU 64 Ca -0.01 -0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3hug n LEU 64 Cb 0.17 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.42 3hug n LEU 64 CO 0.36 0.22 1.03 0.00 -1.33 0.00 0.00 177.39 177.67 3hug h GLY 66 N 0.87 0.00 0.59 0.00 0.00 -1.81 -3.30 103.07 99.42 3hug h GLY 66 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3hug h GLY 66 CO -0.01 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.45 3hug h VAL 67 N 0.00 1.32 -0.29 4.60 2.07 -1.56 -2.55 116.25 119.83 3hug h VAL 67 Ca 0.01 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.64 3hug h VAL 67 Cb 0.30 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3hug h VAL 67 CO -0.00 0.25 0.20 -0.65 0.02 0.00 0.00 177.57 177.39 3hug h PRO 68 N -0.42 0.08 -0.69 1.57 0.11 -1.76 0.15 132.00 131.04 3hug h PRO 68 Ca -0.00 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3hug h PRO 68 Cb 0.41 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3hug h PRO 68 CO 0.00 0.05 0.14 0.00 -0.21 0.00 0.00 178.00 177.99 3hug h ALA 69 N 1.85 0.95 -0.14 -0.75 0.00 -1.67 -0.41 119.26 119.09 3hug h ALA 69 Ca 0.13 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3hug h ALA 69 Cb 0.43 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hug h ALA 69 CO -0.01 0.67 -0.60 -0.07 0.00 0.00 0.00 179.25 179.24 3hug h LEU 70 N 1.05 0.77 -1.36 0.00 3.38 -0.64 -3.18 115.31 115.34 3hug h LEU 70 Ca 0.21 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.57 3hug h LEU 70 Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hug h LEU 70 CO 0.01 1.26 0.44 -0.07 0.09 0.00 0.00 178.44 180.17 3hug h LEU 71 N 0.32 0.74 0.00 1.67 4.07 -0.51 -2.46 115.31 119.14 3hug h LEU 71 Ca -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3hug h LEU 71 Cb 1.23 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.79 3hug h LEU 71 CO 0.13 0.53 0.00 -1.54 -1.08 0.00 0.00 178.44 176.48 3hug n SER 72 N -4.44 0.00 0.00 -0.43 3.41 -0.19 -2.23 113.62 109.74 3hug n SER 72 Ca 0.07 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 3hug n SER 72 Cb 0.06 -0.44 0.67 0.00 -0.26 0.00 0.00 64.21 64.25 3hug n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hug n GLN 73 N -1.44 0.39 -4.42 4.33 6.02 -0.93 -4.79 117.38 116.54 3hug n GLN 73 Ca 0.02 0.03 -0.25 0.00 -0.01 0.00 0.00 57.00 56.79 3hug n GLN 73 Cb 0.07 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 3hug n GLN 73 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hug s LEU 74 N -2.56 2.47 0.28 1.08 1.43 -0.95 -5.15 118.68 115.28 3hug s LEU 74 Ca 0.25 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 3hug s LEU 74 Cb 0.18 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 3hug s LEU 74 CO 0.40 0.08 0.38 -1.81 0.23 0.00 0.00 176.35 175.63 3hug s ASP 75 N -2.86 6.08 0.57 2.29 1.01 -1.26 -5.01 116.67 117.49 3hug s ASP 75 Ca 0.22 -0.07 0.29 0.00 0.71 0.00 0.00 52.55 53.70 3hug s ASP 75 Cb -0.07 -1.57 1.74 0.00 1.01 0.00 0.00 42.92 44.03 3hug s ASP 75 CO 0.10 -0.20 2.21 0.08 0.21 0.00 0.00 175.17 177.57 3hug h ARG 76 N 1.11 0.00 -0.06 8.23 0.11 -1.99 -2.33 114.38 119.45 3hug h ARG 76 Ca -0.49 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.41 3hug h ARG 76 Cb 1.24 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.33 3hug h ARG 76 CO 0.58 0.03 -0.65 0.38 0.10 0.00 0.00 179.97 180.41 3hug h ASP 77 N 0.00 0.68 -0.41 0.08 2.03 -1.98 -0.53 116.42 116.28 3hug h ASP 77 Ca -0.00 -0.69 0.03 0.00 -0.73 0.00 0.00 57.03 55.64 3hug h ASP 77 Cb 0.09 -0.20 -0.04 0.00 -0.83 0.00 0.00 39.33 38.35 3hug h ASP 77 CO 0.00 1.27 0.20 -0.33 -1.03 0.00 0.00 179.24 179.36 3hug h GLU 78 N 0.14 0.40 -0.54 4.15 5.08 -1.84 0.31 114.58 122.28 3hug h GLU 78 Ca -0.06 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hug h GLU 78 Cb 1.32 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3hug h GLU 78 CO 0.13 0.26 0.33 0.28 -1.00 0.00 0.00 179.01 179.01 3hug h VAL 79 N 0.41 1.16 -0.78 3.13 2.07 -1.42 0.15 116.25 120.98 3hug h VAL 79 Ca 0.18 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3hug h VAL 79 Cb 0.09 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3hug h VAL 79 CO -0.13 0.17 0.48 0.00 0.02 0.00 0.00 177.57 178.11 3hug h ALA 80 N 1.16 1.04 -0.67 1.67 0.00 -0.77 -0.66 119.26 121.02 3hug h ALA 80 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hug h ALA 80 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hug h ALA 80 CO -0.04 0.25 0.37 0.00 0.00 0.00 0.00 179.25 179.83 3hug h ALA 81 N 1.35 1.39 -0.41 0.00 0.00 0.20 -1.36 119.26 120.43 3hug h ALA 81 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hug h ALA 81 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hug h ALA 81 CO -0.14 0.50 0.15 0.82 0.00 0.00 0.00 179.25 180.58 3hug h ILE 82 N 0.93 1.21 -0.07 0.00 2.04 0.74 -2.18 117.51 120.18 3hug h ILE 82 Ca 0.24 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3hug h ILE 82 Cb 0.02 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3hug h ILE 82 CO -0.04 0.23 0.02 0.28 0.00 0.00 0.00 178.15 178.65 3hug h SER 83 N 0.52 0.10 -0.60 1.72 0.02 -1.03 -2.84 113.55 111.44 3hug h SER 83 Ca 0.14 -0.19 0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3hug h SER 83 Cb 0.22 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 62.61 3hug h SER 83 CO -0.01 0.26 -0.27 -0.08 -1.14 0.00 0.00 176.83 175.59 3hug h GLU 84 N -0.07 -0.10 0.00 3.45 4.57 -1.16 0.20 114.58 121.47 3hug h GLU 84 Ca 0.02 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3hug h GLU 84 Cb 0.19 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3hug h GLU 84 CO -0.00 -0.07 0.00 -1.13 -1.18 0.00 0.00 179.01 176.63 3hug n SER 85 N -5.44 0.00 0.00 1.04 3.41 -0.83 -5.11 113.62 106.69 3hug n SER 85 Ca 0.06 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 3hug n SER 85 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3hug n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88