#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih3 n HIS 0 N 0.00 -3.70 -2.61 1.61 -0.00 -1.26 -5.25 115.22 104.01 3ih3 n HIS 0 Ca 0.00 -0.76 -0.41 0.00 -0.00 0.00 0.00 57.72 56.56 3ih3 n HIS 0 Cb 0.00 -0.85 -0.05 0.00 -0.00 0.00 0.00 29.99 29.09 3ih3 n HIS 0 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ih3 s LEU 2 N 0.00 4.55 0.73 2.39 1.43 -1.26 -5.28 118.68 121.24 3ih3 s LEU 2 Ca 0.54 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 55.50 3ih3 s LEU 2 Cb -0.05 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3ih3 s LEU 2 CO 0.41 -0.07 0.27 -1.54 0.23 0.00 0.00 176.35 175.65 3ih3 n SER 3 N 1.97 -2.16 -0.02 2.29 3.41 -1.26 -4.72 113.62 113.13 3ih3 n SER 3 Ca 0.01 0.54 -0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3ih3 n SER 3 Cb 0.47 -1.11 0.29 0.00 -0.26 0.00 0.00 64.21 63.60 3ih3 n SER 3 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ih3 h LYS 4 N -0.45 0.57 -0.33 4.33 1.79 -2.00 -1.38 116.57 119.11 3ih3 h LYS 4 Ca -0.44 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 57.90 3ih3 h LYS 4 Cb 1.36 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3ih3 h LYS 4 CO 0.40 0.56 0.15 -0.09 -1.08 0.00 0.00 179.45 179.39 3ih3 h ARG 5 N 0.56 0.47 0.00 3.15 2.43 -2.00 -1.39 114.38 117.60 3ih3 h ARG 5 Ca 0.12 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3ih3 h ARG 5 Cb 0.28 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3ih3 h ARG 5 CO 0.00 0.44 -0.44 -0.44 -1.51 0.00 0.00 179.97 178.03 3ih3 h ASP 6 N 0.39 0.00 -0.21 -3.80 3.32 -1.67 -1.84 116.42 112.60 3ih3 h ASP 6 Ca 0.11 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3ih3 h ASP 6 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ih3 h ASP 6 CO -0.01 0.44 -0.11 0.00 -1.72 0.00 0.00 179.24 177.83 3ih3 h ALA 7 N 1.56 0.30 0.02 3.45 0.00 -1.05 -0.20 119.26 123.35 3ih3 h ALA 7 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ih3 h ALA 7 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ih3 h ALA 7 CO 0.06 0.15 -0.08 0.82 0.00 0.00 0.00 179.25 180.20 3ih3 h ILE 8 N 0.15 0.81 -0.93 0.00 2.04 -1.06 -1.39 117.51 117.13 3ih3 h ILE 8 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3ih3 h ILE 8 Cb 0.61 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3ih3 h ILE 8 CO 0.03 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.72 3ih3 h LEU 9 N -0.15 1.03 -0.52 1.44 3.38 -1.21 0.38 115.31 119.67 3ih3 h LEU 9 Ca 0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3ih3 h LEU 9 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ih3 h LEU 9 CO -0.06 0.73 -0.02 0.50 0.09 0.00 0.00 178.44 179.67 3ih3 h LYS 10 N 1.21 0.94 -0.64 1.13 3.64 -0.91 0.71 116.57 122.65 3ih3 h LYS 10 Ca 0.36 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3ih3 h LYS 10 Cb -0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3ih3 h LYS 10 CO -0.10 0.97 0.05 0.00 -2.27 0.00 0.00 179.45 178.10 3ih3 h ALA 11 N 0.94 0.88 -0.12 5.00 0.00 -0.54 -2.65 119.26 122.76 3ih3 h ALA 11 Ca 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ih3 h ALA 11 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ih3 h ALA 11 CO 0.03 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 3ih3 h ALA 12 N 1.03 0.07 -0.81 0.00 0.00 -0.10 -0.23 119.26 119.22 3ih3 h ALA 12 Ca 0.19 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.25 3ih3 h ALA 12 Cb 0.51 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3ih3 h ALA 12 CO 0.02 -0.49 0.53 0.28 0.00 0.00 0.00 179.25 179.59 3ih3 h VAL 13 N -0.01 0.93 0.04 0.00 2.07 -0.73 -1.68 116.25 116.86 3ih3 h VAL 13 Ca 0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ih3 h VAL 13 Cb 0.09 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3ih3 h VAL 13 CO -0.12 0.13 -0.02 -0.33 0.02 0.00 0.00 177.57 177.25 3ih3 h GLU 14 N 0.72 -0.05 -0.01 1.57 5.08 -0.97 -2.36 114.58 118.56 3ih3 h GLU 14 Ca 0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 3ih3 h GLU 14 Cb 0.49 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3ih3 h GLU 14 CO -0.15 0.55 -0.02 0.28 -1.00 0.00 0.00 179.01 178.68 3ih3 h VAL 15 N -0.70 1.39 -0.33 3.13 2.07 -0.97 -1.57 116.25 119.27 3ih3 h VAL 15 Ca -0.01 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3ih3 h VAL 15 Cb 0.62 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 3ih3 h VAL 15 CO 0.01 0.31 -0.16 -0.26 0.02 0.00 0.00 177.57 177.49 3ih3 h PHE 16 N -0.45 -0.40 -0.99 1.57 0.04 -1.45 0.40 116.94 115.67 3ih3 h PHE 16 Ca 0.00 0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.93 3ih3 h PHE 16 Cb 0.51 0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.81 3ih3 h PHE 16 CO 0.10 -0.24 0.62 0.78 -0.60 0.00 0.00 178.31 178.97 3ih3 h GLY 17 N -0.11 1.62 0.38 -1.45 0.00 -1.43 0.35 103.07 102.44 3ih3 h GLY 17 Ca 0.17 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3ih3 h GLY 17 CO -0.40 0.16 -0.02 0.50 0.00 0.00 0.00 176.54 176.77 3ih3 h LYS 18 N 0.98 -0.06 0.00 4.80 6.56 0.33 -3.40 116.57 125.78 3ih3 h LYS 18 Ca 0.49 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.75 3ih3 h LYS 18 Cb 0.48 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.09 3ih3 h LYS 18 CO -0.26 0.51 -2.18 1.63 -2.06 0.00 0.00 179.45 177.09 3ih3 n LYS 19 N -4.83 0.67 0.00 3.15 5.02 0.11 -5.10 118.16 117.19 3ih3 n LYS 19 Ca -0.09 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3ih3 n LYS 19 Cb 0.30 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3ih3 n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ih3 n GLY 20 N 1.68 0.91 0.30 0.72 0.00 0.12 -4.42 105.19 104.50 3ih3 n GLY 20 Ca -0.28 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 3ih3 n GLY 20 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ih3 h TYR 21 N 0.00 -0.75 -0.02 1.61 3.20 -1.88 -1.30 116.97 117.84 3ih3 h TYR 21 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3ih3 h TYR 21 Cb 0.00 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 3ih3 h TYR 21 CO 0.00 -0.36 0.00 -0.44 -1.64 0.00 0.00 178.16 175.73 3ih3 h ASP 22 N -0.33 0.04 0.40 -2.11 3.32 -1.88 -3.22 116.42 112.64 3ih3 h ASP 22 Ca 0.11 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 3ih3 h ASP 22 Cb 0.50 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3ih3 h ASP 22 CO -0.34 0.34 -0.50 0.03 -1.72 0.00 0.00 179.24 177.04 3ih3 h ARG 23 N -0.25 0.12 -7.02 3.56 3.08 -1.76 -3.45 114.38 108.65 3ih3 h ARG 23 Ca 0.01 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 59.47 3ih3 h ARG 23 Cb 0.31 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.46 3ih3 h ARG 23 CO 0.00 0.60 0.54 0.00 -1.07 0.00 0.00 179.97 180.04 3ih3 s ALA 24 N -3.92 2.91 0.05 0.04 0.00 -0.49 -4.98 121.76 115.37 3ih3 s ALA 24 Ca -0.03 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.14 3ih3 s ALA 24 Cb 0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3ih3 s ALA 24 CO 0.76 -0.97 -0.26 0.95 0.00 0.00 0.00 175.76 176.24 3ih3 s THR 25 N -1.43 2.12 0.30 0.00 -4.23 -1.26 -4.97 115.64 106.16 3ih3 s THR 25 Ca 0.67 -1.39 0.15 0.00 -1.18 0.00 0.00 61.69 59.93 3ih3 s THR 25 Cb -0.34 -1.82 0.08 0.00 1.34 0.00 0.00 72.50 71.77 3ih3 s THR 25 CO 0.41 0.36 1.76 0.71 -0.54 0.00 0.00 174.62 177.31 3ih3 h THR 26 N 4.22 1.17 -0.31 3.99 1.35 -1.98 -1.84 112.91 119.52 3ih3 h THR 26 Ca -0.46 -1.53 0.07 0.00 -0.55 0.00 0.00 66.41 63.94 3ih3 h THR 26 Cb 1.14 1.86 -0.08 0.00 -1.73 0.00 0.00 68.15 69.34 3ih3 h THR 26 CO 0.43 0.42 -0.24 0.44 -0.25 0.00 0.00 175.52 176.33 3ih3 h ASP 27 N 0.00 -0.77 -0.56 5.36 3.32 -1.95 -2.05 116.42 119.76 3ih3 h ASP 27 Ca -0.00 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3ih3 h ASP 27 Cb 0.82 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3ih3 h ASP 27 CO 0.06 -0.27 0.05 -0.08 -1.72 0.00 0.00 179.24 177.28 3ih3 h GLU 28 N -0.21 0.96 -0.19 3.56 4.81 -1.84 -1.45 114.58 120.21 3ih3 h GLU 28 Ca 0.16 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ih3 h GLU 28 Cb 0.46 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3ih3 h GLU 28 CO -0.43 0.94 0.13 0.82 -0.73 0.00 0.00 179.01 179.73 3ih3 h ILE 29 N 0.85 1.05 0.08 2.32 2.04 -1.23 -1.30 117.51 121.32 3ih3 h ILE 29 Ca 0.17 -0.09 -0.15 0.00 1.00 0.00 0.00 64.86 65.79 3ih3 h ILE 29 Cb 0.47 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3ih3 h ILE 29 CO 0.02 0.05 -0.73 0.00 0.00 0.00 0.00 178.15 177.49 3ih3 h ALA 30 N 1.88 0.02 -0.59 1.87 0.00 -0.95 -1.79 119.26 119.70 3ih3 h ALA 30 Ca 0.07 -0.76 0.12 0.00 0.00 0.00 0.00 54.91 54.34 3ih3 h ALA 30 Cb -0.03 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 3ih3 h ALA 30 CO -0.02 0.38 -0.17 1.05 0.00 0.00 0.00 179.25 180.49 3ih3 h GLU 31 N -0.60 -0.03 -0.01 0.00 9.09 -1.25 -1.05 114.58 120.72 3ih3 h GLU 31 Ca -0.15 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.20 3ih3 h GLU 31 Cb 1.44 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.54 3ih3 h GLU 31 CO 0.06 -0.02 -0.28 -0.22 0.05 0.00 0.00 179.01 178.60 3ih3 h LYS 32 N -0.03 0.02 0.00 1.06 1.63 -1.21 -1.89 116.57 116.15 3ih3 h LYS 32 Ca 0.28 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 3ih3 h LYS 32 Cb 0.45 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3ih3 h LYS 32 CO -0.62 0.30 -0.34 0.00 -3.45 0.00 0.00 179.45 175.34 3ih3 n ALA 33 N -2.49 2.76 -2.92 5.00 0.00 -0.68 -4.94 120.51 117.25 3ih3 n ALA 33 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 3ih3 n ALA 33 Cb 0.33 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.55 3ih3 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ih3 n GLY 34 N 1.38 -0.13 3.12 0.00 0.00 -0.45 -4.83 105.19 104.28 3ih3 n GLY 34 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 3ih3 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ih3 s VAL 35 N -3.24 0.36 0.37 1.61 -7.23 -0.92 -5.07 120.40 106.28 3ih3 s VAL 35 Ca 0.03 -1.85 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 3ih3 s VAL 35 Cb -0.00 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 3ih3 s VAL 35 CO 0.48 -0.95 1.19 0.00 -0.31 0.00 0.00 175.10 175.52 3ih3 s ALA 36 N -3.83 3.25 0.32 1.32 0.00 -1.26 -4.23 121.76 117.32 3ih3 s ALA 36 Ca 0.09 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.16 3ih3 s ALA 36 Cb 0.07 -3.40 0.93 0.00 0.00 0.00 0.00 23.12 20.72 3ih3 s ALA 36 CO -0.08 -0.52 1.61 0.87 0.00 0.00 0.00 175.76 177.63 3ih3 h LYS 37 N 2.90 0.11 0.00 0.00 1.57 -1.93 -1.23 116.57 117.98 3ih3 h LYS 37 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3ih3 h LYS 37 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ih3 h LYS 37 CO 0.63 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.00 3ih3 n GLY 38 N -1.38 -1.10 0.10 3.86 0.00 -1.26 -3.24 105.19 102.17 3ih3 n GLY 38 Ca 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 3ih3 n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ih3 h LEU 39 N 0.00 0.00 0.20 0.99 3.38 -1.60 -2.42 115.31 115.86 3ih3 h LEU 39 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ih3 h LEU 39 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ih3 h LEU 39 CO 0.00 0.77 -0.28 0.40 0.09 0.00 0.00 178.44 179.42 3ih3 h ILE 40 N 0.00 0.41 -0.76 1.22 1.08 -1.71 -1.63 117.51 116.11 3ih3 h ILE 40 Ca -0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.63 3ih3 h ILE 40 Cb 1.58 0.41 -0.11 0.00 -3.07 0.00 0.00 36.82 35.62 3ih3 h ILE 40 CO 0.10 0.00 0.20 0.15 -0.69 0.00 0.00 178.15 177.91 3ih3 h PHE 41 N -0.54 0.32 -0.38 1.37 3.57 -1.69 0.13 116.94 119.72 3ih3 h PHE 41 Ca 0.01 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3ih3 h PHE 41 Cb 0.53 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3ih3 h PHE 41 CO -0.21 -0.09 0.21 1.25 -2.23 0.00 0.00 178.31 177.24 3ih3 h HIS 42 N 0.28 0.39 0.00 0.41 2.76 -0.81 0.13 115.15 118.31 3ih3 h HIS 42 Ca 0.44 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.55 3ih3 h HIS 42 Cb 0.76 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3ih3 h HIS 42 CO -0.25 0.21 -0.90 1.88 -1.30 0.00 0.00 177.93 177.58 3ih3 h TYR 43 N 0.42 0.00 0.00 5.26 -1.99 -1.10 -3.42 116.97 116.14 3ih3 h TYR 43 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3ih3 h TYR 43 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 3ih3 h TYR 43 CO -0.09 0.28 -0.45 1.19 -0.00 0.00 0.00 178.16 179.09 3ih3 n PHE 44 N -2.91 0.00 0.00 4.88 3.01 0.44 -5.05 117.46 117.83 3ih3 n PHE 44 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3ih3 n PHE 44 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 3ih3 n PHE 44 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3ih3 n LYS 45 N -0.84 0.00 -3.94 -1.08 0.00 0.43 -4.47 118.16 108.25 3ih3 n LYS 45 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 3ih3 n LYS 45 Cb 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.06 3ih3 n LYS 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3ih3 s ASN 46 N 0.00 -0.15 0.42 -5.58 2.20 -1.26 -4.78 114.94 105.79 3ih3 s ASN 46 Ca 0.00 -0.81 0.10 0.00 -0.94 0.00 0.00 52.86 51.21 3ih3 s ASN 46 Cb 0.00 0.64 0.90 0.00 -2.00 0.00 0.00 41.25 40.79 3ih3 s ASN 46 CO 0.00 -1.21 2.02 0.50 -2.94 0.00 0.00 177.10 175.47 3ih3 h LYS 47 N 2.17 0.32 -0.03 3.55 3.64 -1.98 -1.06 116.57 123.17 3ih3 h LYS 47 Ca -0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3ih3 h LYS 47 Cb 1.25 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3ih3 h LYS 47 CO 0.31 0.30 0.00 1.49 -2.27 0.00 0.00 179.45 179.29 3ih3 h GLU 48 N 0.32 0.06 -0.86 1.90 4.81 -1.96 -1.20 114.58 117.64 3ih3 h GLU 48 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ih3 h GLU 48 Cb 0.13 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3ih3 h GLU 48 CO -0.00 0.31 0.50 1.49 -0.73 0.00 0.00 179.01 180.58 3ih3 h GLU 49 N -0.20 1.19 -0.05 1.92 4.57 -1.75 -1.07 114.58 119.19 3ih3 h GLU 49 Ca 0.01 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3ih3 h GLU 49 Cb 0.28 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 3ih3 h GLU 49 CO 0.00 0.85 -0.27 1.25 -1.18 0.00 0.00 179.01 179.66 3ih3 h LEU 50 N 1.20 -0.81 -0.78 1.64 5.85 -1.09 -0.18 115.31 121.13 3ih3 h LEU 50 Ca 0.31 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.26 3ih3 h LEU 50 Cb -0.02 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3ih3 h LEU 50 CO -0.05 -0.33 0.40 0.22 -0.34 0.00 0.00 178.44 178.34 3ih3 h TYR 51 N -0.39 0.71 0.14 1.25 3.20 -0.72 0.05 116.97 121.22 3ih3 h TYR 51 Ca 0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ih3 h TYR 51 Cb 0.49 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3ih3 h TYR 51 CO -0.32 0.23 -0.07 -0.92 -1.64 0.00 0.00 178.16 175.44 3ih3 h TYR 52 N 0.64 -0.18 -0.67 -3.82 3.20 -0.63 -0.16 116.97 115.36 3ih3 h TYR 52 Ca 0.40 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.29 3ih3 h TYR 52 Cb 0.47 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3ih3 h TYR 52 CO -0.10 0.15 0.42 1.96 -1.64 0.00 0.00 178.16 178.95 3ih3 h GLN 53 N -0.52 0.81 -0.82 1.82 1.08 -0.85 -2.19 115.11 114.45 3ih3 h GLN 53 Ca -0.02 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 3ih3 h GLN 53 Cb 0.40 -0.18 -0.07 0.00 -0.05 0.00 0.00 27.48 27.58 3ih3 h GLN 53 CO 0.03 0.54 0.47 0.00 -0.95 0.00 0.00 178.83 178.92 3ih3 h ALA 54 N 1.28 1.16 0.00 3.87 0.00 -0.88 0.47 119.26 125.15 3ih3 h ALA 54 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ih3 h ALA 54 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ih3 h ALA 54 CO -0.09 0.10 0.00 0.98 0.00 0.00 0.00 179.25 180.24 3ih3 n TYR 55 N -4.74 0.00 0.00 0.00 9.36 -0.08 -1.71 117.16 119.99 3ih3 n TYR 55 Ca 0.13 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3ih3 n TYR 55 Cb 0.27 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 3ih3 n TYR 55 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3ih3 n SER 57 N 0.39 0.00 -0.08 2.98 2.88 0.16 -1.13 113.62 118.83 3ih3 n SER 57 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3ih3 n SER 57 Cb 0.14 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 3ih3 n SER 57 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3ih3 h VAL 58 N 0.00 1.32 -0.14 2.46 2.07 -1.56 -2.75 116.25 117.65 3ih3 h VAL 58 Ca 0.00 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 3ih3 h VAL 58 Cb 0.00 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3ih3 h VAL 58 CO 0.00 0.47 -0.25 0.71 0.02 0.00 0.00 177.57 178.52 3ih3 h THR 59 N 0.34 1.24 -0.27 2.57 1.35 -1.39 -2.05 112.91 114.70 3ih3 h THR 59 Ca 0.03 -1.12 0.02 0.00 -0.55 0.00 0.00 66.41 64.79 3ih3 h THR 59 Cb 0.89 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 3ih3 h THR 59 CO 0.07 0.34 0.11 -0.08 -0.25 0.00 0.00 175.52 175.71 3ih3 h GLU 60 N 0.22 0.23 -0.43 4.72 4.81 -1.78 0.45 114.58 122.81 3ih3 h GLU 60 Ca 0.04 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 3ih3 h GLU 60 Cb 0.57 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 3ih3 h GLU 60 CO 0.04 0.15 -0.10 0.87 -0.73 0.00 0.00 179.01 179.25 3ih3 h LYS 61 N 0.24 0.01 -0.73 1.92 6.56 -1.13 -2.42 116.57 121.02 3ih3 h LYS 61 Ca 0.12 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3ih3 h LYS 61 Cb 0.07 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 3ih3 h LYS 61 CO -0.11 0.01 0.44 -0.07 -2.06 0.00 0.00 179.45 177.66 3ih3 h LEU 62 N 0.01 0.87 -0.54 2.94 3.38 -1.01 -2.64 115.31 118.32 3ih3 h LEU 62 Ca 0.21 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3ih3 h LEU 62 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3ih3 h LEU 62 CO -0.43 0.68 0.34 -0.61 0.09 0.00 0.00 178.44 178.50 3ih3 h GLN 63 N 1.00 0.66 -0.53 1.13 5.75 -0.64 -0.53 115.11 121.95 3ih3 h GLN 63 Ca 0.26 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 3ih3 h GLN 63 Cb -0.04 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3ih3 h GLN 63 CO -0.05 0.43 0.34 0.87 -2.65 0.00 0.00 178.83 177.77 3ih3 h LYS 64 N 0.68 0.66 -0.16 1.69 6.56 -1.20 0.08 116.57 124.87 3ih3 h LYS 64 Ca 0.21 -0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.81 3ih3 h LYS 64 Cb -0.02 -0.15 -0.05 0.00 -0.57 0.00 0.00 32.23 31.44 3ih3 h LYS 64 CO -0.07 0.43 -0.16 0.93 -2.06 0.00 0.00 179.45 178.52 3ih3 h GLU 65 N 0.68 -0.17 -0.29 3.15 4.39 -1.11 -2.31 114.58 118.92 3ih3 h GLU 65 Ca 0.20 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 3ih3 h GLU 65 Cb -0.03 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3ih3 h GLU 65 CO -0.07 -0.12 0.16 0.35 -1.16 0.00 0.00 179.01 178.17 3ih3 h PHE 66 N -0.18 0.40 -0.14 4.33 3.57 -0.56 -2.20 116.94 122.16 3ih3 h PHE 66 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3ih3 h PHE 66 Cb 0.33 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3ih3 h PHE 66 CO -0.28 0.34 -0.11 0.93 -2.23 0.00 0.00 178.31 176.95 3ih3 h GLU 67 N 0.35 0.22 -0.34 1.11 5.08 -0.85 0.53 114.58 120.68 3ih3 h GLU 67 Ca 0.10 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3ih3 h GLU 67 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3ih3 h GLU 67 CO -0.02 0.35 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.43 3ih3 h ASN 68 N 0.21 0.58 -0.20 1.42 2.35 -1.21 -3.18 115.58 115.56 3ih3 h ASN 68 Ca 0.04 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 3ih3 h ASN 68 Cb 0.34 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ih3 h ASN 68 CO 0.02 0.75 0.04 0.15 -1.65 0.00 0.00 177.43 176.74 3ih3 h PHE 69 N 0.40 0.34 0.00 1.19 3.57 -0.70 -2.57 116.94 119.17 3ih3 h PHE 69 Ca 0.10 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ih3 h PHE 69 Cb 0.45 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3ih3 h PHE 69 CO 0.04 0.45 0.00 -0.11 -2.23 0.00 0.00 178.31 176.45 3ih3 n LEU 70 N -4.76 0.00 0.00 0.59 7.94 0.18 -1.24 117.00 119.70 3ih3 n LEU 70 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3ih3 n LEU 70 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3ih3 n LEU 70 CO 0.36 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.81 3ih3 n LYS 72 N 0.23 0.00 -0.25 1.96 0.00 -0.97 -0.01 118.16 119.12 3ih3 n LYS 72 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.40 3ih3 n LYS 72 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.26 3ih3 n LYS 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ih3 n ASN 73 N 0.00 3.37 -0.34 3.14 3.02 -0.37 -4.70 115.26 119.39 3ih3 n ASN 73 Ca 0.00 -1.97 0.18 0.00 -0.03 0.00 0.00 54.58 52.76 3ih3 n ASN 73 Cb 0.00 -0.33 0.35 0.00 -0.61 0.00 0.00 39.78 39.19 3ih3 n ASN 73 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3ih3 h ARG 74 N 3.31 0.01 -0.00 3.52 2.43 -0.64 -2.10 114.38 120.91 3ih3 h ARG 74 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ih3 h ARG 74 Cb 0.86 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3ih3 h ARG 74 CO 0.00 0.01 -0.04 0.09 -1.51 0.00 0.00 179.97 178.52 3ih3 n ASN 75 N -5.44 0.21 -4.74 -3.80 3.02 -1.26 -4.91 115.26 98.35 3ih3 n ASN 75 Ca 0.26 -0.51 -0.31 0.00 -0.03 0.00 0.00 54.58 53.99 3ih3 n ASN 75 Cb 0.86 -0.14 0.11 0.00 -0.61 0.00 0.00 39.78 40.00 3ih3 n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ih3 s ARG 76 N -2.40 1.86 0.27 3.52 0.52 -0.79 -4.98 118.95 116.95 3ih3 s ARG 76 Ca 0.33 1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 56.45 3ih3 s ARG 76 Cb 0.21 -1.85 -0.12 0.00 0.52 0.00 0.00 34.95 33.71 3ih3 s ARG 76 CO 0.44 -1.93 1.62 -3.47 0.02 0.00 0.00 175.30 171.98 3ih3 n ASP 77 N -3.73 3.84 -0.18 0.23 2.03 -1.26 -4.80 116.55 112.68 3ih3 n ASP 77 Ca 0.09 1.13 0.08 0.00 0.52 0.00 0.00 54.79 56.61 3ih3 n ASP 77 Cb 0.53 -1.58 0.38 0.00 -0.72 0.00 0.00 41.12 39.72 3ih3 n ASP 77 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3ih3 h ILE 78 N 3.43 0.98 -0.19 5.18 6.09 -1.93 0.45 117.51 131.52 3ih3 h ILE 78 Ca -0.46 -0.24 -0.12 0.00 -1.37 0.00 0.00 64.86 62.66 3ih3 h ILE 78 Cb 1.22 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.73 3ih3 h ILE 78 CO 0.82 0.13 -0.36 -0.26 -3.07 0.00 0.00 178.15 175.41 3ih3 h PHE 79 N 0.70 0.73 -0.99 2.19 -1.00 -1.98 -2.95 116.94 113.64 3ih3 h PHE 79 Ca 0.32 -0.26 0.05 0.00 2.81 0.00 0.00 57.97 60.89 3ih3 h PHE 79 Cb 0.35 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.71 3ih3 h PHE 79 CO -0.00 1.00 0.65 0.22 -1.61 0.00 0.00 178.31 178.57 3ih3 h ASP 80 N 0.25 1.06 0.00 2.17 3.58 -1.63 -0.99 116.42 120.87 3ih3 h ASP 80 Ca 0.01 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3ih3 h ASP 80 Cb 0.96 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.77 3ih3 h ASP 80 CO 0.08 0.71 0.00 0.33 -2.88 0.00 0.00 179.24 177.48 3ih3 n PHE 81 N -4.47 0.00 0.00 0.28 7.35 0.15 -1.71 117.46 119.05 3ih3 n PHE 81 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 3ih3 n PHE 81 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 3ih3 n PHE 81 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3ih3 n GLU 83 N -0.11 0.00 -0.32 -4.13 0.00 -0.38 -0.83 120.64 114.87 3ih3 n GLU 83 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 3ih3 n GLU 83 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 31.44 31.53 3ih3 n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ih3 h ARG 84 N 0.00 1.17 -0.43 5.31 3.08 -1.58 -1.82 114.38 120.10 3ih3 h ARG 84 Ca 0.00 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 3ih3 h ARG 84 Cb 0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3ih3 h ARG 84 CO 0.00 0.79 -0.25 2.35 -1.07 0.00 0.00 179.97 181.79 3ih3 h TRP 85 N 1.19 1.05 -0.11 3.04 -0.00 -1.23 -1.97 115.95 117.93 3ih3 h TRP 85 Ca 0.32 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.89 58.94 3ih3 h TRP 85 Cb -0.10 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 28.81 3ih3 h TRP 85 CO -0.01 1.06 0.05 0.82 -0.00 0.00 0.00 178.44 180.36 3ih3 h ILE 86 N 0.78 1.11 -0.71 2.65 2.04 -1.75 -0.56 117.51 121.07 3ih3 h ILE 86 Ca 0.10 -0.32 0.14 0.00 1.00 0.00 0.00 64.86 65.78 3ih3 h ILE 86 Cb 0.81 1.13 -0.13 0.00 -0.74 0.00 0.00 36.82 37.89 3ih3 h ILE 86 CO 0.07 0.10 -0.23 -0.08 0.00 0.00 0.00 178.15 178.01 3ih3 h GLU 87 N 0.05 -0.04 -0.59 2.37 4.81 -1.18 0.10 114.58 120.11 3ih3 h GLU 87 Ca 0.04 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ih3 h GLU 87 Cb 0.11 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3ih3 h GLU 87 CO -0.00 -0.03 0.38 0.87 -0.73 0.00 0.00 179.01 179.50 3ih3 h LYS 88 N -0.04 0.75 -0.35 1.92 1.79 -0.83 -1.53 116.57 118.29 3ih3 h LYS 88 Ca 0.32 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.68 3ih3 h LYS 88 Cb 0.55 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3ih3 h LYS 88 CO -0.75 0.50 -0.09 0.87 -1.08 0.00 0.00 179.45 178.90 3ih3 h LYS 89 N 0.77 0.58 -0.17 3.15 1.79 -0.01 -0.93 116.57 121.75 3ih3 h LYS 89 Ca 0.22 -0.16 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3ih3 h LYS 89 Cb -0.06 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3ih3 h LYS 89 CO -0.06 0.67 0.08 -0.07 -1.08 0.00 0.00 179.45 178.99 3ih3 h LEU 90 N 0.54 0.12 -0.43 2.94 3.38 -0.31 -1.00 115.31 120.55 3ih3 h LEU 90 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ih3 h LEU 90 Cb 0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3ih3 h LEU 90 CO 0.03 0.09 0.22 -0.33 0.09 0.00 0.00 178.44 178.54 3ih3 h GLU 91 N 0.18 0.61 -0.28 1.13 5.08 -0.96 -2.28 114.58 118.06 3ih3 h GLU 91 Ca 0.07 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3ih3 h GLU 91 Cb 0.02 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3ih3 h GLU 91 CO -0.05 0.51 0.01 -0.92 -1.00 0.00 0.00 179.01 177.56 3ih3 h TYR 92 N 0.56 0.01 -0.41 4.33 3.20 -0.96 -1.71 116.97 121.98 3ih3 h TYR 92 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3ih3 h TYR 92 Cb 0.09 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3ih3 h TYR 92 CO -0.02 -0.03 0.23 0.77 -1.64 0.00 0.00 178.16 177.47 3ih3 h SER 93 N 0.10 0.52 0.05 -2.11 0.02 -0.95 0.49 113.55 111.66 3ih3 h SER 93 Ca 0.13 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3ih3 h SER 93 Cb 0.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3ih3 h SER 93 CO -0.21 0.45 -0.20 0.00 -1.14 0.00 0.00 176.83 175.73 3ih3 h ALA 94 N 1.08 1.35 0.00 3.77 0.00 -1.28 -2.55 119.26 121.63 3ih3 h ALA 94 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ih3 h ALA 94 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ih3 h ALA 94 CO -0.02 0.44 -0.44 0.66 0.00 0.00 0.00 179.25 179.89 3ih3 h SER 95 N 0.26 0.00 -1.85 0.00 4.64 -0.30 -3.37 113.55 112.93 3ih3 h SER 95 Ca 0.05 -0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.70 3ih3 h SER 95 Cb 0.51 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.19 3ih3 h SER 95 CO 0.03 0.07 -0.92 1.41 -0.87 0.00 0.00 176.83 176.55 3ih3 n HIS 96 N -2.19 2.25 0.13 4.77 -0.00 0.16 -4.96 115.22 115.38 3ih3 n HIS 96 Ca 0.04 -3.59 0.08 0.00 -0.00 0.00 0.00 57.72 54.25 3ih3 n HIS 96 Cb 0.44 -0.38 0.57 0.00 -0.00 0.00 0.00 29.99 30.62 3ih3 n HIS 96 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3ih3 h PRO 97 N 2.92 0.19 -0.47 -0.41 0.13 -1.64 -2.00 132.00 130.72 3ih3 h PRO 97 Ca 0.11 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.10 3ih3 h PRO 97 Cb 0.83 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3ih3 h PRO 97 CO 0.67 0.13 -0.21 0.93 -0.23 0.00 0.00 178.00 179.29 3ih3 h GLU 98 N 0.20 0.96 -0.34 0.86 3.07 -1.93 -0.59 114.58 116.81 3ih3 h GLU 98 Ca 0.09 -0.40 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 3ih3 h GLU 98 Cb 0.10 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3ih3 h GLU 98 CO -0.02 1.07 0.13 0.93 -1.40 0.00 0.00 179.01 179.73 3ih3 h GLU 99 N 0.83 0.51 -0.28 2.33 5.08 -1.75 -1.42 114.58 119.88 3ih3 h GLU 99 Ca 0.11 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3ih3 h GLU 99 Cb 0.78 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3ih3 h GLU 99 CO 0.06 0.51 -0.07 0.00 -1.00 0.00 0.00 179.01 178.52 3ih3 h ALA 100 N 0.97 0.19 -0.43 3.43 0.00 -1.18 -0.47 119.26 121.77 3ih3 h ALA 100 Ca 0.11 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ih3 h ALA 100 Cb 0.20 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ih3 h ALA 100 CO -0.01 -0.46 -0.01 -0.44 0.00 0.00 0.00 179.25 178.33 3ih3 h ASP 101 N 0.00 0.67 -0.17 0.00 3.32 -0.95 -2.89 116.42 116.40 3ih3 h ASP 101 Ca 0.13 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3ih3 h ASP 101 Cb 0.20 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ih3 h ASP 101 CO -0.29 0.74 -0.08 0.15 -1.72 0.00 0.00 179.24 178.05 3ih3 h PHE 102 N 0.66 0.40 -0.74 4.55 3.57 -0.34 -3.21 116.94 121.84 3ih3 h PHE 102 Ca 0.13 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3ih3 h PHE 102 Cb 0.42 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 3ih3 h PHE 102 CO 0.02 0.66 0.49 -0.07 -2.23 0.00 0.00 178.31 177.17 3ih3 h LEU 103 N 0.03 0.78 -0.04 0.59 3.38 -0.91 -0.45 115.31 118.69 3ih3 h LEU 103 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ih3 h LEU 103 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ih3 h LEU 103 CO 0.02 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3ih3 n ILE 104 N -4.45 0.65 0.77 1.22 0.13 -1.17 -2.33 119.36 114.18 3ih3 n ILE 104 Ca 0.09 0.15 0.09 0.00 -1.10 0.00 0.00 62.75 61.98 3ih3 n ILE 104 Cb 0.11 -0.84 0.43 0.00 -0.84 0.00 0.00 39.64 38.50 3ih3 n ILE 104 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3ih3 n THR 105 N -1.57 0.57 0.09 9.51 -2.24 -0.18 -3.68 114.28 116.78 3ih3 n THR 105 Ca 0.05 0.14 0.05 0.00 -2.27 0.00 0.00 64.05 62.02 3ih3 n THR 105 Cb 0.24 -0.85 0.50 0.00 -2.10 0.00 0.00 70.33 68.12 3ih3 n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ih3 h LEU 106 N 0.00 0.30 -0.65 3.22 5.85 -1.64 -2.36 115.31 120.04 3ih3 h LEU 106 Ca 0.00 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3ih3 h LEU 106 Cb 0.20 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3ih3 h LEU 106 CO 0.00 0.22 0.29 -0.37 -0.34 0.00 0.00 178.44 178.24 3ih3 h VAL 107 N 0.35 0.83 -0.12 1.05 -1.51 -1.85 -3.20 116.25 111.80 3ih3 h VAL 107 Ca 0.10 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3ih3 h VAL 107 Cb -0.04 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 3ih3 h VAL 107 CO -0.02 0.09 0.00 -1.54 -1.23 0.00 0.00 177.57 174.87 3ih3 n SER 108 N -4.92 0.81 -4.91 4.19 3.41 -0.89 -4.87 113.62 106.44 3ih3 n SER 108 Ca 0.09 -1.77 -0.28 0.00 -0.26 0.00 0.00 58.87 56.65 3ih3 n SER 108 Cb 0.26 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3ih3 n SER 108 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ih3 s VAL 109 N -1.85 4.99 0.51 -3.33 -7.23 -1.21 -4.77 120.40 107.51 3ih3 s VAL 109 Ca 0.21 0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 60.22 3ih3 s VAL 109 Cb 0.10 -3.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.20 3ih3 s VAL 109 CO 0.16 -0.46 1.16 -0.90 -0.31 0.00 0.00 175.10 174.75 3ih3 n ASP 110 N -1.30 1.84 -0.19 4.85 5.75 -1.26 -4.68 116.55 121.56 3ih3 n ASP 110 Ca -0.01 0.97 0.09 0.00 -0.01 0.00 0.00 54.79 55.82 3ih3 n ASP 110 Cb 0.54 -1.46 0.38 0.00 -1.03 0.00 0.00 41.12 39.55 3ih3 n ASP 110 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3ih3 h GLU 111 N 1.32 0.67 -0.45 0.11 9.09 -1.96 -1.11 114.58 122.25 3ih3 h GLU 111 Ca -0.48 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 58.76 3ih3 h GLU 111 Cb 1.33 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.26 3ih3 h GLU 111 CO 0.56 0.44 -0.23 0.78 0.05 0.00 0.00 179.01 180.61 3ih3 h GLY 112 N 0.69 1.00 0.90 1.06 0.00 -1.99 -0.79 103.07 103.94 3ih3 h GLY 112 Ca 0.34 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3ih3 h GLY 112 CO -0.12 0.81 -0.00 -2.00 0.00 0.00 0.00 176.54 175.22 3ih3 h LEU 113 N 0.79 0.57 -1.18 3.11 5.85 -1.58 -2.69 115.31 120.18 3ih3 h LEU 113 Ca 0.10 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3ih3 h LEU 113 Cb 0.79 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3ih3 h LEU 113 CO 0.07 0.74 0.32 -0.09 -0.34 0.00 0.00 178.44 179.13 3ih3 h ARG 114 N 0.38 0.89 -0.08 1.25 2.43 -1.15 -2.78 114.38 115.31 3ih3 h ARG 114 Ca 0.09 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3ih3 h ARG 114 Cb 0.45 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3ih3 h ARG 114 CO 0.02 0.68 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.87 3ih3 h LYS 115 N 0.89 0.19 -0.72 0.20 1.63 -1.12 -2.23 116.57 115.41 3ih3 h LYS 115 Ca 0.22 -0.09 0.15 0.00 -0.85 0.00 0.00 60.65 60.08 3ih3 h LYS 115 Cb 0.07 -0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.57 3ih3 h LYS 115 CO -0.03 0.59 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.37 3ih3 h ARG 116 N -0.21 0.04 -0.17 1.90 2.43 -1.37 -1.44 114.38 115.58 3ih3 h ARG 116 Ca 0.02 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ih3 h ARG 116 Cb 0.54 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3ih3 h ARG 116 CO 0.02 0.03 0.05 0.82 -1.51 0.00 0.00 179.97 179.38 3ih3 h ILE 117 N 0.04 1.18 -0.11 1.20 2.04 -1.30 -1.53 117.51 119.03 3ih3 h ILE 117 Ca 0.37 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 3ih3 h ILE 117 Cb 0.61 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3ih3 h ILE 117 CO -0.69 0.17 -0.15 -0.07 0.00 0.00 0.00 178.15 177.41 3ih3 h LEU 118 N 0.09 0.16 -0.03 1.44 3.38 -1.05 0.10 115.31 119.41 3ih3 h LEU 118 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ih3 h LEU 118 Cb 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ih3 h LEU 118 CO -0.00 0.33 -0.04 -0.07 0.09 0.00 0.00 178.44 178.74 3ih3 h LEU 119 N 0.16 0.08 -1.79 1.67 3.38 -1.14 -1.86 115.31 115.81 3ih3 h LEU 119 Ca 0.03 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ih3 h LEU 119 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ih3 h LEU 119 CO 0.02 0.60 0.00 0.44 0.09 0.00 0.00 178.44 179.59 3ih3 h ASP 120 N -0.44 0.00 0.36 -0.43 5.19 -1.05 -2.80 116.42 117.26 3ih3 h ASP 120 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ih3 h ASP 120 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3ih3 h ASP 120 CO 0.01 0.00 -0.71 0.18 -3.12 0.00 0.00 179.24 175.60 3ih3 n LEU 121 N -3.09 0.65 -0.25 1.55 4.77 0.34 -4.50 117.00 116.47 3ih3 n LEU 121 Ca -0.00 -0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 3ih3 n LEU 121 Cb 0.25 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3ih3 n LEU 121 CO 0.26 0.14 0.99 -0.08 -1.33 0.00 0.00 177.39 177.37 3ih3 h GLU 122 N 0.00 1.08 -0.87 3.23 4.57 -1.05 -2.37 114.58 119.16 3ih3 h GLU 122 Ca 0.00 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 57.99 3ih3 h GLU 122 Cb 0.54 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 3ih3 h GLU 122 CO 0.00 0.91 0.58 -0.22 -1.18 0.00 0.00 179.01 179.10 3ih3 h LYS 123 N 1.02 1.09 0.11 1.92 3.64 -1.79 -0.62 116.57 121.94 3ih3 h LYS 123 Ca 0.23 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 3ih3 h LYS 123 Cb 0.27 -0.25 0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3ih3 h LYS 123 CO -0.01 0.72 -0.62 0.66 -2.27 0.00 0.00 179.45 177.93 3ih3 h SER 124 N 1.12 0.36 -0.01 4.20 4.64 -1.77 -3.25 113.55 118.84 3ih3 h SER 124 Ca 0.34 -0.97 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 3ih3 h SER 124 Cb -0.03 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3ih3 h SER 124 CO -0.09 1.30 0.01 1.56 -0.87 0.00 0.00 176.83 178.74 3ih3 h GLN 125 N -0.52 0.00 0.00 4.77 4.20 -1.29 -1.61 115.11 120.65 3ih3 h GLN 125 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3ih3 h GLN 125 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 3ih3 h GLN 125 CO 0.12 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 3ih3 h ARG 126 N 0.00 0.00 0.35 1.46 2.47 -1.14 -2.76 114.38 114.76 3ih3 h ARG 126 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3ih3 h ARG 126 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3ih3 h ARG 126 CO -0.00 0.00 -0.26 0.28 0.56 0.00 0.00 179.97 180.55 3ih3 h VAL 127 N 0.00 0.46 -0.11 2.04 2.07 -1.41 0.27 116.25 119.56 3ih3 h VAL 127 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ih3 h VAL 127 Cb 0.44 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3ih3 h VAL 127 CO 0.00 0.00 0.07 0.15 0.02 0.00 0.00 177.57 177.81 3ih3 h PHE 128 N -0.61 0.15 -0.29 1.57 3.57 -1.72 -2.43 116.94 117.18 3ih3 h PHE 128 Ca -0.03 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3ih3 h PHE 128 Cb 0.52 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 3ih3 h PHE 128 CO -0.13 0.15 -0.23 0.35 -2.23 0.00 0.00 178.31 176.23 3ih3 h PHE 129 N 0.11 -0.59 0.00 0.41 3.57 -1.39 -1.21 116.94 117.84 3ih3 h PHE 129 Ca 0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3ih3 h PHE 129 Cb 0.05 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3ih3 h PHE 129 CO -0.05 -0.30 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.09 3ih3 h ASP 130 N -0.21 0.00 0.21 0.41 3.32 -0.41 -2.03 116.42 117.71 3ih3 h ASP 130 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3ih3 h ASP 130 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ih3 h ASP 130 CO -0.41 0.20 -0.10 0.15 -1.72 0.00 0.00 179.24 177.35 3ih3 h PHE 131 N 0.00 -0.26 -0.49 4.55 3.57 -0.85 -1.60 116.94 121.87 3ih3 h PHE 131 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3ih3 h PHE 131 Cb 0.43 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3ih3 h PHE 131 CO 0.00 0.13 0.18 0.28 -2.23 0.00 0.00 178.31 176.68 3ih3 h VAL 132 N -0.75 0.85 -0.97 1.41 2.07 -1.10 0.82 116.25 118.58 3ih3 h VAL 132 Ca -0.03 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.44 3ih3 h VAL 132 Cb 0.50 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3ih3 h VAL 132 CO 0.05 0.07 0.62 -0.09 0.02 0.00 0.00 177.57 178.23 3ih3 h ARG 133 N 0.36 1.06 0.02 1.57 2.43 -1.36 0.21 114.38 118.68 3ih3 h ARG 133 Ca 0.23 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3ih3 h ARG 133 Cb 0.23 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3ih3 h ARG 133 CO -0.23 0.70 -0.01 1.49 -1.51 0.00 0.00 179.97 180.41 3ih3 h GLU 134 N 1.09 -0.03 -0.02 0.20 4.57 -0.31 -3.21 114.58 116.87 3ih3 h GLU 134 Ca 0.43 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.52 3ih3 h GLU 134 Cb 0.23 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3ih3 h GLU 134 CO -0.19 0.20 -0.43 0.87 -1.18 0.00 0.00 179.01 178.27 3ih3 h LYS 135 N -0.26 0.04 -0.49 1.92 1.79 0.39 -2.52 116.57 117.45 3ih3 h LYS 135 Ca -0.00 -0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.58 3ih3 h LYS 135 Cb 0.24 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 3ih3 h LYS 135 CO 0.01 0.47 0.35 -0.07 -1.08 0.00 0.00 179.45 179.12 3ih3 h LEU 136 N 0.03 0.05 -2.44 2.94 3.38 -0.64 -0.92 115.31 117.72 3ih3 h LEU 136 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ih3 h LEU 136 Cb 0.78 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ih3 h LEU 136 CO 0.06 0.03 -0.03 0.11 0.09 0.00 0.00 178.44 178.70 3ih3 h LYS 137 N 0.05 0.00 -0.66 1.13 1.79 -1.49 -2.58 116.57 114.80 3ih3 h LYS 137 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3ih3 h LYS 137 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3ih3 h LYS 137 CO -0.01 0.03 0.00 -0.25 -1.08 0.00 0.00 179.45 178.13 3ih3 n ASP 138 N -3.57 2.53 -4.50 0.86 8.00 -0.35 -4.90 116.55 114.62 3ih3 n ASP 138 Ca -0.03 -2.26 -0.26 0.00 0.71 0.00 0.00 54.79 52.95 3ih3 n ASP 138 Cb 0.12 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.66 3ih3 n ASP 138 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ih3 s LEU 139 N -1.09 2.72 -1.09 0.64 2.96 -0.98 -5.08 118.68 116.77 3ih3 s LEU 139 Ca 0.22 -0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 3ih3 s LEU 139 Cb 0.15 -1.40 0.22 0.00 0.50 0.00 0.00 46.19 45.66 3ih3 s LEU 139 CO 0.09 0.10 1.18 -1.81 -1.32 0.00 0.00 176.35 174.59 3ih3 s ASP 140 N -2.86 7.09 0.13 3.68 1.01 -1.26 -5.04 116.67 119.42 3ih3 s ASP 140 Ca 0.24 -3.11 -0.30 0.00 0.71 0.00 0.00 52.55 50.09 3ih3 s ASP 140 Cb -0.08 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 3ih3 s ASP 140 CO 0.13 -0.56 1.03 -0.76 0.21 0.00 0.00 175.17 175.22 3ih3 s LEU 141 N 0.31 4.49 0.11 1.23 1.43 -1.26 0.18 118.68 125.17 3ih3 s LEU 141 Ca 0.33 1.92 -0.34 0.00 -1.03 0.00 0.00 54.13 55.02 3ih3 s LEU 141 Cb -0.07 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.42 3ih3 s LEU 141 CO -0.06 -0.15 1.66 0.00 0.23 0.00 0.00 176.35 178.03 3ih3 n ALA 142 N 2.68 1.38 0.58 4.21 0.00 -1.26 -4.65 120.51 123.46 3ih3 n ALA 142 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3ih3 n ALA 142 Cb 0.48 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3ih3 n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3ih3 n GLU 143 N 4.18 0.45 0.00 0.00 -0.00 -1.26 0.15 120.64 124.15 3ih3 n GLU 143 Ca 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.37 3ih3 n GLU 143 Cb 0.30 -1.16 -0.02 0.00 -0.00 0.00 0.00 31.44 30.56 3ih3 n GLU 143 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3ih3 n ASP 144 N 0.04 0.58 -4.46 -1.84 5.75 -1.26 -5.02 116.55 110.34 3ih3 n ASP 144 Ca 0.00 -0.79 -0.39 0.00 -0.01 0.00 0.00 54.79 53.60 3ih3 n ASP 144 Cb 0.08 0.80 -0.12 0.00 -1.03 0.00 0.00 41.12 40.85 3ih3 n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ih3 s VAL 145 N -1.45 4.69 0.44 2.12 1.01 0.40 -5.10 120.40 122.51 3ih3 s VAL 145 Ca 0.04 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3ih3 s VAL 145 Cb 0.05 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 3ih3 s VAL 145 CO 0.24 0.09 0.99 0.42 0.00 0.00 0.00 175.10 176.84 3ih3 s THR 146 N 1.63 4.14 0.34 3.92 -4.23 -1.26 -4.61 115.64 115.57 3ih3 s THR 146 Ca 0.05 1.37 0.09 0.00 -1.18 0.00 0.00 61.69 62.01 3ih3 s THR 146 Cb -0.17 -3.57 0.32 0.00 1.34 0.00 0.00 72.50 70.43 3ih3 s THR 146 CO 0.07 -0.26 1.82 -0.33 -0.54 0.00 0.00 174.62 175.38 3ih3 h GLU 147 N 1.87 0.68 -0.31 3.99 5.08 -1.98 -0.01 114.58 123.90 3ih3 h GLU 147 Ca -0.49 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3ih3 h GLU 147 Cb 1.20 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 3ih3 h GLU 147 CO 0.61 0.45 -0.01 0.93 -1.00 0.00 0.00 179.01 179.98 3ih3 h GLU 148 N 0.70 0.07 -0.40 2.33 3.07 -1.98 0.16 114.58 118.53 3ih3 h GLU 148 Ca 0.52 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.24 3ih3 h GLU 148 Cb 0.88 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3ih3 h GLU 148 CO -0.28 0.05 -0.29 0.82 -1.40 0.00 0.00 179.01 177.91 3ih3 h ILE 149 N 0.08 1.28 -0.02 3.13 5.03 -1.51 -0.53 117.51 124.96 3ih3 h ILE 149 Ca 0.15 -1.45 -0.00 0.00 -0.12 0.00 0.00 64.86 63.43 3ih3 h ILE 149 Cb 0.20 1.33 -0.00 0.00 -3.03 0.00 0.00 36.82 35.32 3ih3 h ILE 149 CO -0.26 0.49 0.01 0.00 -0.68 0.00 0.00 178.15 177.71 3ih3 h ALA 150 N 0.79 0.03 -0.71 1.87 0.00 -0.86 0.46 119.26 120.84 3ih3 h ALA 150 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ih3 h ALA 150 Cb 0.87 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3ih3 h ALA 150 CO 0.08 -0.41 0.34 1.25 0.00 0.00 0.00 179.25 180.50 3ih3 h LEU 151 N -0.08 0.93 -0.28 0.00 5.85 -0.69 -0.57 115.31 120.47 3ih3 h LEU 151 Ca 0.01 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3ih3 h LEU 151 Cb 0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3ih3 h LEU 151 CO -0.00 0.81 0.16 0.50 -0.34 0.00 0.00 178.44 179.57 3ih3 h LYS 152 N 0.99 0.39 -0.57 1.25 3.64 -0.56 -3.05 116.57 118.65 3ih3 h LYS 152 Ca 0.24 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3ih3 h LYS 152 Cb 0.13 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ih3 h LYS 152 CO -0.03 0.32 0.11 0.35 -2.27 0.00 0.00 179.45 177.93 3ih3 h PHE 153 N 0.34 0.98 0.00 1.91 3.04 0.24 -2.41 116.94 121.05 3ih3 h PHE 153 Ca 0.10 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.92 3ih3 h PHE 153 Cb 0.04 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.28 3ih3 h PHE 153 CO -0.04 0.85 0.00 1.28 -2.02 0.00 0.00 178.31 178.38 3ih3 n LEU 154 N -4.36 0.55 0.00 0.59 4.77 -0.25 -1.34 117.00 116.96 3ih3 n LEU 154 Ca 0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3ih3 n LEU 154 Cb 0.25 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3ih3 n LEU 154 CO 0.41 0.12 0.00 1.87 -1.33 0.00 0.00 177.39 178.46 3ih3 n TRP 156 N 0.41 0.00 -0.15 -1.77 -0.00 -0.91 -1.85 117.44 113.17 3ih3 n TRP 156 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.45 3ih3 n TRP 156 Cb 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.44 3ih3 n TRP 156 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 3ih3 h PHE 157 N 0.00 -0.64 -0.20 5.87 3.57 -1.48 0.65 116.94 124.71 3ih3 h PHE 157 Ca 0.00 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3ih3 h PHE 157 Cb 0.00 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3ih3 h PHE 157 CO 0.00 -0.32 0.06 0.35 -2.23 0.00 0.00 178.31 176.16 3ih3 h PHE 158 N -0.14 0.10 0.05 0.41 3.57 -1.62 -1.39 116.94 117.92 3ih3 h PHE 158 Ca 0.22 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.46 3ih3 h PHE 158 Cb 0.49 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3ih3 h PHE 158 CO -0.51 0.04 -1.42 0.66 -2.23 0.00 0.00 178.31 174.85 3ih3 h SER 159 N 0.15 0.18 0.59 0.41 4.64 -1.46 -3.14 113.55 114.91 3ih3 h SER 159 Ca 0.09 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 3ih3 h SER 159 Cb 0.07 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3ih3 h SER 159 CO -0.10 1.21 -0.33 1.23 -0.87 0.00 0.00 176.83 177.97 3ih3 h GLY 160 N 2.50 0.00 0.55 -0.77 0.00 0.22 -2.39 103.07 103.18 3ih3 h GLY 160 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3ih3 h GLY 160 CO 0.13 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.92 3ih3 h PHE 161 N 0.00 -0.02 -0.63 5.60 3.57 -1.28 0.17 116.94 124.35 3ih3 h PHE 161 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3ih3 h PHE 161 Cb 0.71 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 3ih3 h PHE 161 CO 0.00 0.42 -0.55 1.49 -2.23 0.00 0.00 178.31 177.44 3ih3 h GLU 162 N -0.47 -0.23 -0.64 1.11 4.81 -1.58 -1.38 114.58 116.20 3ih3 h GLU 162 Ca -0.00 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3ih3 h GLU 162 Cb 0.45 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3ih3 h GLU 162 CO 0.00 -0.16 0.38 1.49 -0.73 0.00 0.00 179.01 180.00 3ih3 h GLU 163 N -0.24 0.72 -0.66 1.92 4.81 -1.19 -1.30 114.58 118.64 3ih3 h GLU 163 Ca 0.12 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3ih3 h GLU 163 Cb 0.53 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3ih3 h GLU 163 CO -0.73 0.48 0.22 0.28 -0.73 0.00 0.00 179.01 178.53 3ih3 h VAL 164 N 0.74 1.25 0.04 0.32 2.07 0.20 -2.45 116.25 118.42 3ih3 h VAL 164 Ca 0.26 -0.82 -0.22 0.00 0.82 0.00 0.00 66.70 66.74 3ih3 h VAL 164 Cb 0.06 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3ih3 h VAL 164 CO -0.12 0.32 -1.02 0.10 0.02 0.00 0.00 177.57 176.86 3ih3 h TYR 165 N 0.94 0.24 -0.71 1.57 -0.00 -0.92 -0.80 116.97 117.29 3ih3 h TYR 165 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 58.73 58.75 3ih3 h TYR 165 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 36.73 36.95 3ih3 h TYR 165 CO 0.02 1.07 0.31 -0.07 -0.00 0.00 0.00 178.16 179.48 3ih3 h LEU 166 N 0.06 0.94 0.10 0.10 3.38 -1.05 0.15 115.31 118.98 3ih3 h LEU 166 Ca -0.06 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 3ih3 h LEU 166 Cb 1.73 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 42.26 3ih3 h LEU 166 CO 0.15 0.82 -0.74 0.03 0.09 0.00 0.00 178.44 178.79 3ih3 h ARG 167 N 1.01 0.33 -0.83 1.13 3.08 -1.41 -0.31 114.38 117.39 3ih3 h ARG 167 Ca 0.24 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3ih3 h ARG 167 Cb 0.16 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 3ih3 h ARG 167 CO -0.03 1.20 0.52 1.15 -1.07 0.00 0.00 179.97 181.74 3ih3 h THR 168 N -0.29 1.22 -0.51 2.04 2.02 -0.99 -3.12 112.91 113.30 3ih3 h THR 168 Ca -0.12 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3ih3 h THR 168 Cb 1.53 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3ih3 h THR 168 CO 0.14 0.23 0.00 -1.22 0.37 0.00 0.00 175.52 175.04 3ih3 n TYR 169 N -4.39 0.67 -1.65 3.16 4.02 0.52 -4.95 117.16 114.55 3ih3 n TYR 169 Ca 0.09 -0.45 -0.54 0.00 -0.01 0.00 0.00 57.90 57.00 3ih3 n TYR 169 Cb 0.05 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 3ih3 n TYR 169 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3ih3 n GLN 170 N 1.13 1.28 -1.22 -0.72 7.27 -0.13 -1.06 117.38 123.94 3ih3 n GLN 170 Ca 0.18 0.47 -0.07 0.00 0.07 0.00 0.00 57.00 57.64 3ih3 n GLN 170 Cb 0.53 -2.15 -0.03 0.00 2.41 0.00 0.00 30.24 31.00 3ih3 n GLN 170 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ih3 n GLY 171 N 3.37 0.88 2.42 1.69 0.00 -1.26 -4.92 105.19 107.38 3ih3 n GLY 171 Ca 0.22 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3ih3 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ih3 n LYS 172 N -1.85 1.05 -0.32 1.61 4.01 -0.23 -4.97 118.16 117.47 3ih3 n LYS 172 Ca -0.07 -3.31 0.09 0.00 -0.51 0.00 0.00 58.31 54.50 3ih3 n LYS 172 Cb 0.36 -1.48 0.29 0.00 -0.51 0.00 0.00 35.03 33.70 3ih3 n LYS 172 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3ih3 h PRO 173 N 3.00 0.85 0.00 1.97 0.13 -1.92 -2.00 132.00 134.04 3ih3 h PRO 173 Ca 0.00 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 3ih3 h PRO 173 Cb 1.07 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 3ih3 h PRO 173 CO 0.50 0.56 -0.28 0.93 -0.23 0.00 0.00 178.00 179.48 3ih3 h GLU 174 N 0.88 0.00 -0.11 0.86 4.39 -1.93 -1.55 114.58 117.12 3ih3 h GLU 174 Ca 0.47 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.01 3ih3 h GLU 174 Cb 0.55 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3ih3 h GLU 174 CO -0.23 0.28 -0.57 1.25 -1.16 0.00 0.00 179.01 178.58 3ih3 h LEU 175 N 0.00 0.69 -0.57 1.33 5.85 -1.78 -0.88 115.31 119.95 3ih3 h LEU 175 Ca -0.00 -0.64 0.07 0.00 0.84 0.00 0.00 57.88 58.14 3ih3 h LEU 175 Cb 0.65 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3ih3 h LEU 175 CO 0.04 1.22 0.26 0.25 -0.34 0.00 0.00 178.44 179.87 3ih3 h LEU 176 N 0.20 0.34 -0.52 2.25 5.85 -1.09 0.23 115.31 122.58 3ih3 h LEU 176 Ca -0.04 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3ih3 h LEU 176 Cb 1.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3ih3 h LEU 176 CO 0.12 0.22 0.20 0.11 -0.34 0.00 0.00 178.44 178.75 3ih3 h LYS 177 N 0.49 0.78 -0.81 1.25 1.57 -1.22 -1.99 116.57 116.64 3ih3 h LYS 177 Ca 0.27 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3ih3 h LYS 177 Cb 0.24 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3ih3 h LYS 177 CO -0.22 0.69 0.52 -0.09 -0.57 0.00 0.00 179.45 179.78 3ih3 h ARG 178 N 0.70 0.98 -4.28 3.15 2.43 -0.71 -3.42 114.38 113.23 3ih3 h ARG 178 Ca 0.17 -0.06 -0.74 0.00 -0.81 0.00 0.00 59.98 58.54 3ih3 h ARG 178 Cb 0.21 -0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 29.39 3ih3 h ARG 178 CO -0.01 0.65 1.79 -0.25 -1.51 0.00 0.00 179.97 180.64 3ih3 n ASP 179 N -4.58 5.08 0.00 -3.80 8.00 0.03 -4.79 116.55 116.48 3ih3 n ASP 179 Ca 0.10 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.58 3ih3 n ASP 179 Cb 0.09 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 3ih3 n ASP 179 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ih3 n ASN 181 N 5.14 0.00 -0.10 -2.24 4.13 -1.26 -1.28 115.26 119.66 3ih3 n ASN 181 Ca 0.40 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.56 3ih3 n ASN 181 Cb 0.40 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.62 3ih3 n ASN 181 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3ih3 h THR 182 N 0.00 1.15 -0.15 3.41 2.02 -1.97 -2.20 112.91 115.17 3ih3 h THR 182 Ca 0.00 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.77 3ih3 h THR 182 Cb 0.00 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3ih3 h THR 182 CO 0.00 0.16 0.02 -0.07 0.37 0.00 0.00 175.52 176.00 3ih3 h LEU 183 N 0.37 -0.01 -0.92 2.58 3.38 -1.59 0.10 115.31 119.22 3ih3 h LEU 183 Ca 0.11 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3ih3 h LEU 183 Cb 0.11 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3ih3 h LEU 183 CO -0.01 0.02 0.59 0.58 0.09 0.00 0.00 178.44 179.70 3ih3 h VAL 184 N 0.08 1.09 -0.19 1.22 2.07 -1.80 0.39 116.25 119.10 3ih3 h VAL 184 Ca 0.07 -0.37 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 3ih3 h VAL 184 Cb 0.07 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 3ih3 h VAL 184 CO -0.10 0.20 -0.59 -0.08 0.02 0.00 0.00 177.57 177.02 3ih3 h GLU 185 N 1.09 0.64 -0.15 1.57 4.57 -0.93 -1.54 114.58 119.84 3ih3 h GLU 185 Ca 0.39 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3ih3 h GLU 185 Cb 0.12 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3ih3 h GLU 185 CO -0.16 1.05 0.08 0.93 -1.18 0.00 0.00 179.01 179.73 3ih3 h GLU 186 N 0.48 0.21 -0.88 1.92 5.08 -0.26 -2.63 114.58 118.51 3ih3 h GLU 186 Ca -0.00 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 3ih3 h GLU 186 Cb 1.17 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 3ih3 h GLU 186 CO 0.12 0.25 0.50 0.28 -1.00 0.00 0.00 179.01 179.16 3ih3 h VAL 187 N 0.13 0.85 -0.11 3.13 2.07 -0.89 -2.60 116.25 118.83 3ih3 h VAL 187 Ca 0.05 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ih3 h VAL 187 Cb 0.10 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3ih3 h VAL 187 CO -0.01 0.14 0.01 0.11 0.02 0.00 0.00 177.57 177.84 3ih3 h LYS 188 N 0.78 0.05 -1.56 1.57 1.57 -1.00 -1.82 116.57 116.15 3ih3 h LYS 188 Ca 0.44 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3ih3 h LYS 188 Cb 0.50 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ih3 h LYS 188 CO -0.29 0.03 0.00 0.28 -0.57 0.00 0.00 179.45 178.90 3ih3 n VAL 189 N -5.10 0.25 0.00 0.50 0.31 -0.98 -2.02 118.33 111.29 3ih3 n VAL 189 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3ih3 n VAL 189 Cb 0.06 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3ih3 n VAL 189 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ih3 n LEU 191 N 0.81 0.00 0.16 7.52 4.77 -0.69 -0.21 117.00 129.35 3ih3 n LEU 191 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3ih3 n LEU 191 Cb 0.13 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.47 3ih3 n LEU 191 CO 0.00 0.00 0.59 0.03 -1.33 0.00 0.00 177.39 176.68 3ih3 h ARG 192 N 0.00 0.00 -0.13 3.23 3.08 -1.67 -0.02 114.38 118.88 3ih3 h ARG 192 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3ih3 h ARG 192 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ih3 h ARG 192 CO 0.00 0.51 -0.08 0.82 -1.07 0.00 0.00 179.97 180.15 3ih3 h ILE 193 N 0.00 1.33 -0.10 2.04 2.04 -0.88 -2.24 117.51 119.70 3ih3 h ILE 193 Ca -0.01 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.70 3ih3 h ILE 193 Cb 0.93 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3ih3 h ILE 193 CO 0.07 0.34 -0.01 -0.07 0.00 0.00 0.00 178.15 178.48 3ih3 h LEU 194 N -0.08 -0.05 -0.39 1.44 3.38 -1.78 0.54 115.31 118.35 3ih3 h LEU 194 Ca 0.03 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3ih3 h LEU 194 Cb 0.57 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3ih3 h LEU 194 CO 0.02 -0.01 -0.07 0.50 0.09 0.00 0.00 178.44 178.97 3ih3 h LYS 195 N 0.03 0.03 -0.20 1.13 3.64 -1.04 -2.76 116.57 117.40 3ih3 h LYS 195 Ca 0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3ih3 h LYS 195 Cb 0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3ih3 h LYS 195 CO -0.09 0.02 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.84 3ih3 h LYS 196 N 0.03 0.39 -1.37 1.90 3.64 -1.06 -2.06 116.57 118.04 3ih3 h LYS 196 Ca 0.19 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ih3 h LYS 196 Cb 0.29 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3ih3 h LYS 196 CO -0.38 0.65 0.00 0.41 -2.27 0.00 0.00 179.45 177.86 3ih3 n GLY 197 N -0.12 0.81 0.00 5.01 0.00 0.15 -4.77 105.19 106.27 3ih3 n GLY 197 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ih3 n GLY 197 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ih3 n THR 199 N 0.70 0.00 1.62 2.61 -2.24 -0.78 -4.88 114.28 111.31 3ih3 n THR 199 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3ih3 n THR 199 Cb 0.19 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.19 3ih3 n THR 199 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79