#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6h s LEU 2 N 0.00 4.16 0.45 1.34 1.02 -1.26 -5.03 118.68 119.36 1f6h s LEU 2 Ca 0.00 0.23 -0.22 0.00 0.02 0.00 0.00 54.13 54.16 1f6h s LEU 2 Cb 0.00 -3.00 -0.09 0.00 0.02 0.00 0.00 46.19 43.12 1f6h s LEU 2 CO 0.00 -0.77 1.05 -0.94 0.02 0.00 0.00 176.35 175.71 1f6h s SER 3 N 1.92 6.50 0.31 2.29 1.04 -1.26 -4.89 113.70 119.61 1f6h s SER 3 Ca 0.31 2.00 0.20 0.00 0.48 0.00 0.00 55.95 58.94 1f6h s SER 3 Cb -0.13 -2.57 1.11 0.00 0.10 0.00 0.00 66.02 64.53 1f6h s SER 3 CO 0.18 -0.67 1.62 1.21 0.98 0.00 0.00 173.24 176.56 1f6h n GLU 4 N -0.57 0.13 0.09 4.02 4.07 -1.26 -1.28 120.64 125.84 1f6h n GLU 4 Ca 0.07 0.63 -0.05 0.00 -0.06 0.00 0.00 57.16 57.75 1f6h n GLU 4 Cb 0.51 -1.96 -0.02 0.00 -0.06 0.00 0.00 31.44 29.92 1f6h n GLU 4 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1f6h h GLY 5 N 0.00 0.02 -0.51 8.31 0.00 -2.02 -3.36 103.07 105.50 1f6h h GLY 5 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1f6h h GLY 5 CO 0.00 0.03 -0.22 -1.84 0.00 0.00 0.00 176.54 174.51 1f6h n GLU 6 N -3.52 1.97 0.05 4.80 0.28 -0.41 -4.23 120.64 119.59 1f6h n GLU 6 Ca -0.01 -0.65 0.10 0.00 -0.16 0.00 0.00 57.16 56.44 1f6h n GLU 6 Cb 0.83 -1.12 0.41 0.00 1.43 0.00 0.00 31.44 32.99 1f6h n GLU 6 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 1f6h n TRP 7 N -0.21 0.36 -0.08 -1.84 -0.00 -1.00 0.29 117.44 114.96 1f6h n TRP 7 Ca 0.05 0.14 -0.06 0.00 -0.00 0.00 0.00 57.50 57.62 1f6h n TRP 7 Cb 0.23 -0.72 -0.16 0.00 -0.00 0.00 0.00 31.31 30.66 1f6h n TRP 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f6h n GLN 8 N -1.82 0.70 -0.05 5.87 -0.00 -1.26 -3.84 117.38 116.98 1f6h n GLN 8 Ca 0.04 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.00 56.87 1f6h n GLN 8 Cb 0.23 -1.52 -0.07 0.00 -0.00 0.00 0.00 30.24 28.88 1f6h n GLN 8 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1f6h h LEU 9 N 0.00 0.32 -0.22 2.61 4.07 -0.99 3.44 115.31 124.54 1f6h h LEU 9 Ca -0.45 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.07 1f6h h LEU 9 Cb 2.02 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.68 1f6h h LEU 9 CO 0.02 0.68 0.00 0.58 -1.08 0.00 0.00 178.44 178.65 1f6h h VAL 10 N -0.05 0.00 -0.01 1.22 2.07 0.40 -2.73 116.25 117.15 1f6h h VAL 10 Ca 0.03 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1f6h h VAL 10 Cb 0.57 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1f6h h VAL 10 CO 0.02 0.00 -0.20 0.18 0.02 0.00 0.00 177.57 177.59 1f6h n LEU 11 N -2.48 1.61 -0.00 2.57 4.77 -1.12 -3.90 117.00 118.45 1f6h n LEU 11 Ca 0.04 -0.83 -0.05 0.00 -0.03 0.00 0.00 56.01 55.14 1f6h n LEU 11 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1f6h n LEU 11 CO 0.29 0.31 0.16 -0.74 -1.33 0.00 0.00 177.39 176.08 1f6h h HIS 12 N 1.78 -0.10 0.00 -1.77 2.76 0.67 -2.35 115.15 116.14 1f6h h HIS 12 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1f6h h HIS 12 Cb 0.48 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1f6h h HIS 12 CO 0.00 0.17 0.00 1.55 -1.30 0.00 0.00 177.93 178.35 1f6h n VAL 13 N -4.82 0.96 0.72 5.26 3.14 -1.14 0.96 118.33 123.41 1f6h n VAL 13 Ca -0.04 0.28 0.11 0.00 -2.96 0.00 0.00 64.34 61.74 1f6h n VAL 13 Cb 0.16 -1.16 0.07 0.00 -1.06 0.00 0.00 33.84 31.85 1f6h n VAL 13 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1f6h n TRP 14 N -1.94 0.20 0.08 1.45 -0.00 -1.23 -0.42 117.44 115.58 1f6h n TRP 14 Ca 0.02 0.06 -0.23 0.00 -0.00 0.00 0.00 57.50 57.35 1f6h n TRP 14 Cb 0.18 -0.36 -0.15 0.00 -0.00 0.00 0.00 31.31 30.98 1f6h n TRP 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f6h h ALA 15 N 2.69 -0.01 0.00 5.87 0.00 0.12 0.14 119.26 128.08 1f6h h ALA 15 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1f6h h ALA 15 Cb 0.65 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1f6h h ALA 15 CO 0.00 0.73 0.00 1.63 0.00 0.00 0.00 179.25 181.61 1f6h n LYS 16 N -3.81 0.12 -0.04 0.00 5.02 0.15 -1.34 118.16 118.27 1f6h n LYS 16 Ca -0.20 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.09 1f6h n LYS 16 Cb 1.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.37 1f6h n LYS 16 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1f6h n VAL 17 N -1.44 0.87 0.32 -0.18 3.14 0.45 -4.01 118.33 117.48 1f6h n VAL 17 Ca 0.09 -0.70 0.15 0.00 -2.96 0.00 0.00 64.34 60.92 1f6h n VAL 17 Cb 0.31 -0.37 0.82 0.00 -1.06 0.00 0.00 33.84 33.54 1f6h n VAL 17 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1f6h h GLU 18 N 0.00 0.00 0.00 1.45 5.08 0.60 -2.25 114.58 119.45 1f6h h GLU 18 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1f6h h GLU 18 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1f6h h GLU 18 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1f6h n ALA 19 N -1.88 -0.25 -3.63 3.43 0.00 -1.23 -4.57 120.51 112.38 1f6h n ALA 19 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1f6h n ALA 19 Cb 0.34 0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.70 1f6h n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f6h s ASP 20 N -2.13 4.17 -0.10 0.00 3.68 -0.85 -4.96 116.67 116.48 1f6h s ASP 20 Ca 0.00 -0.56 -0.16 0.00 2.13 0.00 0.00 52.55 53.96 1f6h s ASP 20 Cb 0.00 -1.69 -0.27 0.00 -1.45 0.00 0.00 42.92 39.51 1f6h s ASP 20 CO 0.00 -0.05 0.58 1.62 0.13 0.00 0.00 175.17 177.45 1f6h h VAL 21 N 5.85 1.06 -0.04 1.11 3.04 -1.81 -3.32 116.25 122.15 1f6h h VAL 21 Ca -0.40 -2.41 -0.07 0.00 -1.01 0.00 0.00 66.70 62.81 1f6h h VAL 21 Cb 1.14 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 1f6h h VAL 21 CO 0.60 0.70 -0.27 0.00 -1.01 0.00 0.00 177.57 177.60 1f6h h ALA 22 N -0.04 0.08 -0.48 3.17 0.00 -1.93 -0.57 119.26 119.49 1f6h h ALA 22 Ca -0.29 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1f6h h ALA 22 Cb 1.75 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1f6h h ALA 22 CO 0.07 0.11 0.29 0.78 0.00 0.00 0.00 179.25 180.50 1f6h h GLY 23 N -0.32 0.70 1.31 0.00 0.00 -1.96 6.58 103.07 109.38 1f6h h GLY 23 Ca -0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1f6h h GLY 23 CO 0.05 0.28 -0.48 0.45 0.00 0.00 0.00 176.54 176.85 1f6h h HIS 24 N 0.64 0.91 -0.42 5.60 3.86 -1.68 -3.11 115.15 120.95 1f6h h HIS 24 Ca 0.17 -0.30 -0.12 0.00 -1.16 0.00 0.00 60.37 58.96 1f6h h HIS 24 Cb -0.00 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1f6h h HIS 24 CO -0.03 1.07 -0.21 0.78 0.86 0.00 0.00 177.93 180.41 1f6h h GLY 25 N 0.89 0.96 1.77 2.45 0.00 0.71 0.31 103.07 110.16 1f6h h GLY 25 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1f6h h GLY 25 CO 0.10 0.78 0.00 -0.18 0.00 0.00 0.00 176.54 177.25 1f6h n GLN 26 N -4.20 0.05 -0.12 4.80 7.27 2.11 -1.07 117.38 126.22 1f6h n GLN 26 Ca -0.01 0.30 -0.26 0.00 0.07 0.00 0.00 57.00 57.10 1f6h n GLN 26 Cb 0.44 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.48 1f6h n GLN 26 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1f6h n ASP 27 N -1.38 1.95 0.05 1.69 8.00 -0.91 -4.07 116.55 121.88 1f6h n ASP 27 Ca 0.03 0.28 0.03 0.00 0.71 0.00 0.00 54.79 55.84 1f6h n ASP 27 Cb 0.07 -0.80 0.16 0.00 -0.02 0.00 0.00 41.12 40.52 1f6h n ASP 27 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1f6h n ILE 28 N -4.11 1.48 -0.07 0.53 5.41 0.05 -0.80 119.36 121.85 1f6h n ILE 28 Ca -0.47 0.57 -0.13 0.00 1.00 0.00 0.00 62.75 63.73 1f6h n ILE 28 Cb 0.86 -1.57 -0.10 0.00 -0.71 0.00 0.00 39.64 38.12 1f6h n ILE 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1f6h h LEU 29 N 0.00 0.00 -0.74 1.39 5.85 -1.64 -3.39 115.31 116.79 1f6h h LEU 29 Ca 0.00 -0.65 -0.09 0.00 0.84 0.00 0.00 57.88 57.97 1f6h h LEU 29 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1f6h h LEU 29 CO 0.00 1.01 -0.04 0.40 -0.34 0.00 0.00 178.44 179.47 1f6h h ILE 30 N -1.00 1.26 0.00 4.05 2.04 -1.11 -1.89 117.51 120.86 1f6h h ILE 30 Ca -0.08 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1f6h h ILE 30 Cb 0.87 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1f6h h ILE 30 CO -0.05 0.40 0.00 -1.14 0.00 0.00 0.00 178.15 177.36 1f6h n ARG 31 N -4.18 0.24 0.08 2.37 3.00 -1.16 0.19 116.66 117.22 1f6h n ARG 31 Ca 0.02 0.08 0.08 0.00 -0.00 0.00 0.00 57.85 58.04 1f6h n ARG 31 Cb 0.35 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.29 1f6h n ARG 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1f6h h LEU 32 N 0.00 0.00 0.00 6.15 5.85 -1.53 -3.19 115.31 122.59 1f6h h LEU 32 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1f6h h LEU 32 Cb 0.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1f6h h LEU 32 CO 0.00 0.18 -2.21 0.49 -0.34 0.00 0.00 178.44 176.55 1f6h n PHE 33 N -2.75 0.00 0.81 1.25 3.72 -0.07 -3.26 117.46 117.16 1f6h n PHE 33 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1f6h n PHE 33 Cb 0.64 -0.81 0.51 0.00 -0.94 0.00 0.00 39.48 38.88 1f6h n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f6h n LYS 34 N -3.37 0.01 -0.04 -1.08 4.76 0.52 -0.12 118.16 118.84 1f6h n LYS 34 Ca -0.39 0.10 -0.02 0.00 -2.87 0.00 0.00 58.31 55.13 1f6h n LYS 34 Cb 0.87 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 32.46 1f6h n LYS 34 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1f6h n SER 35 N -1.54 2.23 -3.62 4.39 2.88 -1.20 -4.85 113.62 111.90 1f6h n SER 35 Ca 0.06 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.30 1f6h n SER 35 Cb 0.28 1.03 -0.14 0.00 -0.75 0.00 0.00 64.21 64.64 1f6h n SER 35 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1f6h s HIS 36 N -2.46 1.31 0.18 0.66 3.76 -0.64 -4.99 115.29 113.11 1f6h s HIS 36 Ca -0.05 -1.78 0.27 0.00 -0.15 0.00 0.00 55.06 53.35 1f6h s HIS 36 Cb 0.05 -1.43 1.14 0.00 1.11 0.00 0.00 32.58 33.45 1f6h s HIS 36 CO 0.48 -0.83 1.91 -1.35 -0.85 0.00 0.00 174.74 174.10 1f6h h PRO 37 N 7.45 0.00 -0.50 8.40 0.11 -0.73 -3.11 132.00 143.63 1f6h h PRO 37 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1f6h h PRO 37 Cb 0.98 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1f6h h PRO 37 CO 0.41 0.15 0.24 1.05 -0.21 0.00 0.00 178.00 179.64 1f6h h GLU 38 N 0.00 0.72 0.00 1.05 9.09 -1.86 -2.49 114.58 121.08 1f6h h GLU 38 Ca -0.00 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 59.30 1f6h h GLU 38 Cb 0.61 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1f6h h GLU 38 CO 0.02 0.59 0.08 2.41 0.05 0.00 0.00 179.01 182.16 1f6h n THR 39 N -4.61 1.22 0.21 -1.06 -1.04 -1.22 -0.94 114.28 106.84 1f6h n THR 39 Ca 0.02 0.65 -0.09 0.00 -2.04 0.00 0.00 64.05 62.59 1f6h n THR 39 Cb 0.11 -1.65 -0.04 0.00 -1.82 0.00 0.00 70.33 66.93 1f6h n THR 39 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1f6h h LEU 40 N 0.00 -0.49 -1.85 -4.42 7.12 -1.64 -1.23 115.31 112.80 1f6h h LEU 40 Ca 0.00 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 1f6h h LEU 40 Cb 0.16 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1f6h h LEU 40 CO 0.00 -0.17 -0.12 -0.33 -0.13 0.00 0.00 178.44 177.69 1f6h h GLU 41 N -0.94 0.00 -0.06 1.25 4.39 -1.23 0.86 114.58 118.85 1f6h h GLU 41 Ca -0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1f6h h GLU 41 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1f6h h GLU 41 CO 0.10 0.12 -0.25 -0.22 -1.16 0.00 0.00 179.01 177.60 1f6h h LYS 42 N 0.00 0.11 -4.00 2.33 1.63 -1.04 -3.27 116.57 112.32 1f6h h LYS 42 Ca -0.00 -0.03 -0.77 0.00 -0.85 0.00 0.00 60.65 58.99 1f6h h LYS 42 Cb 0.23 -0.01 -0.25 0.00 -0.60 0.00 0.00 32.23 31.61 1f6h h LYS 42 CO 0.02 0.35 0.55 0.12 -3.45 0.00 0.00 179.45 177.04 1f6h s PHE 43 N -4.48 3.88 0.12 1.91 2.19 0.30 -4.87 117.98 117.03 1f6h s PHE 43 Ca -0.04 -2.27 0.29 0.00 0.33 0.00 0.00 56.93 55.24 1f6h s PHE 43 Cb 0.15 -3.96 1.58 0.00 -1.31 0.00 0.00 43.02 39.47 1f6h s PHE 43 CO 0.73 -1.10 1.88 0.22 1.83 0.00 0.00 175.22 178.78 1f6h h ASP 44 N 7.29 0.00 0.03 6.13 3.58 -1.70 0.06 116.42 131.81 1f6h h ASP 44 Ca 0.18 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.66 1f6h h ASP 44 Cb 0.94 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.94 1f6h h ASP 44 CO 0.99 0.00 -0.33 0.03 -2.88 0.00 0.00 179.24 177.05 1f6h h ARG 45 N 0.00 -0.48 -4.45 0.28 3.08 -1.89 -3.38 114.38 107.54 1f6h h ARG 45 Ca 0.00 0.03 -0.61 0.00 0.07 0.00 0.00 59.98 59.48 1f6h h ARG 45 Cb 0.05 0.11 -0.37 0.00 0.08 0.00 0.00 29.97 29.84 1f6h h ARG 45 CO 0.00 -0.32 -0.80 -0.59 -1.07 0.00 0.00 179.97 177.19 1f6h s PHE 46 N -6.00 2.32 0.00 3.04 -0.71 0.01 -4.77 117.98 111.87 1f6h s PHE 46 Ca -0.16 -1.58 0.00 0.00 -1.04 0.00 0.00 56.93 54.15 1f6h s PHE 46 Cb 0.09 -1.58 0.00 0.00 -1.21 0.00 0.00 43.02 40.32 1f6h s PHE 46 CO 0.65 -0.74 0.00 1.63 -1.34 0.00 0.00 175.22 175.42 1f6h n LYS 47 N 4.70 2.24 0.00 1.99 5.02 -1.24 -4.53 118.16 126.35 1f6h n LYS 47 Ca -0.13 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.31 1f6h n LYS 47 Cb 0.46 -0.81 0.88 0.00 -0.02 0.00 0.00 35.03 35.53 1f6h n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1f6h n HIS 48 N -0.97 0.00 -3.60 2.13 1.44 -1.26 -4.42 115.22 108.53 1f6h n HIS 48 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1f6h n HIS 48 Cb 0.02 -0.08 -0.07 0.00 0.12 0.00 0.00 29.99 29.98 1f6h n HIS 48 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1f6h s LEU 49 N -2.16 5.68 -0.04 2.39 2.34 -1.26 -4.93 118.68 120.70 1f6h s LEU 49 Ca 0.42 -3.08 -0.15 0.00 0.06 0.00 0.00 54.13 51.38 1f6h s LEU 49 Cb 0.21 -1.96 -0.08 0.00 -0.56 0.00 0.00 46.19 43.80 1f6h s LEU 49 CO 0.39 -0.36 0.61 0.11 -1.06 0.00 0.00 176.35 176.04 1f6h h LYS 50 N 6.90 -0.49 -6.96 1.48 6.56 -1.99 -3.46 116.57 118.61 1f6h h LYS 50 Ca 0.06 0.03 -0.53 0.00 -1.06 0.00 0.00 60.65 59.16 1f6h h LYS 50 Cb 0.93 0.11 0.09 0.00 -0.57 0.00 0.00 32.23 32.79 1f6h h LYS 50 CO 0.77 -0.31 0.61 0.95 -2.06 0.00 0.00 179.45 179.40 1f6h s THR 51 N -3.24 2.59 0.26 -0.16 -4.23 -1.26 -4.94 115.64 104.66 1f6h s THR 51 Ca -0.08 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1f6h s THR 51 Cb 0.01 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.72 1f6h s THR 51 CO 0.24 0.07 1.83 -0.08 -0.54 0.00 0.00 174.62 176.14 1f6h h GLU 52 N 2.54 0.97 -0.00 3.99 4.57 -2.04 -3.32 114.58 121.29 1f6h h GLU 52 Ca -0.50 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1f6h h GLU 52 Cb 1.25 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1f6h h GLU 52 CO 0.62 0.81 0.00 0.00 -1.18 0.00 0.00 179.01 179.26 1f6h h ALA 53 N 1.31 0.00 0.00 2.92 0.00 -2.00 -2.87 119.26 118.63 1f6h h ALA 53 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1f6h h ALA 53 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1f6h h ALA 53 CO -0.02 -0.43 0.01 -0.85 0.00 0.00 0.00 179.25 177.97 1f6h n GLU 54 N -5.02 0.04 0.36 0.00 0.28 -1.25 -3.32 120.64 111.73 1f6h n GLU 54 Ca -0.07 0.53 -0.18 0.00 -0.16 0.00 0.00 57.16 57.28 1f6h n GLU 54 Cb 0.09 -1.65 -0.09 0.00 1.43 0.00 0.00 31.44 31.22 1f6h n GLU 54 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1f6h h MET 55 N 0.00 -1.02 0.00 3.44 2.86 -1.68 0.54 114.93 119.07 1f6h h MET 55 Ca 0.00 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1f6h h MET 55 Cb 0.03 0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1f6h h MET 55 CO 0.00 -0.68 0.00 1.57 1.06 0.00 0.00 176.91 178.86 1f6h h LYS 56 N -1.06 0.00 -0.36 1.72 2.10 -1.78 -2.23 116.57 114.95 1f6h h LYS 56 Ca -0.09 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.48 1f6h h LYS 56 Cb 0.87 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.18 1f6h h LYS 56 CO 0.05 0.00 -0.14 0.00 -2.00 0.00 0.00 179.45 177.35 1f6h h ALA 57 N 2.13 1.08 -2.66 0.07 0.00 -0.70 -3.43 119.26 115.74 1f6h h ALA 57 Ca 0.00 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 54.07 1f6h h ALA 57 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1f6h h ALA 57 CO 0.00 0.57 0.25 -1.12 0.00 0.00 0.00 179.25 178.94 1f6h s SER 58 N -6.74 7.39 0.00 0.00 0.01 0.16 -4.96 113.70 109.55 1f6h s SER 58 Ca -0.08 1.65 0.04 0.00 1.31 0.00 0.00 55.95 58.87 1f6h s SER 58 Cb 0.14 -2.53 -0.25 0.00 0.21 0.00 0.00 66.02 63.60 1f6h s SER 58 CO 0.80 0.05 0.85 -0.33 0.41 0.00 0.00 173.24 175.02 1f6h h GLU 59 N 5.15 0.12 -0.08 12.44 4.39 -1.87 -3.36 114.58 131.37 1f6h h GLU 59 Ca -0.44 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 58.90 1f6h h GLU 59 Cb 1.21 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1f6h h GLU 59 CO 0.70 0.90 -0.52 0.22 -1.16 0.00 0.00 179.01 179.15 1f6h h ASP 60 N 0.03 0.59 -0.88 1.42 1.82 -1.97 -2.94 116.42 114.49 1f6h h ASP 60 Ca -0.22 -0.67 0.19 0.00 -0.39 0.00 0.00 57.03 55.94 1f6h h ASP 60 Cb 1.97 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 41.73 1f6h h ASP 60 CO 0.12 1.17 0.58 -0.07 -1.61 0.00 0.00 179.24 179.43 1f6h h LEU 61 N 0.06 0.46 -1.84 2.28 4.07 -1.94 6.55 115.31 124.95 1f6h h LEU 61 Ca -0.04 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1f6h h LEU 61 Cb 1.18 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 1f6h h LEU 61 CO 0.11 0.20 -0.10 0.11 -1.08 0.00 0.00 178.44 177.68 1f6h h LYS 62 N 0.46 0.00 -0.75 1.13 1.79 -1.66 -1.79 116.57 115.75 1f6h h LYS 62 Ca 0.46 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.93 1f6h h LYS 62 Cb 1.04 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.66 1f6h h LYS 62 CO -0.18 0.10 0.49 0.87 -1.08 0.00 0.00 179.45 179.65 1f6h h LYS 63 N 0.00 0.98 0.00 3.15 1.57 1.38 0.12 116.57 123.77 1f6h h LYS 63 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1f6h h LYS 63 Cb 0.39 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1f6h h LYS 63 CO 0.01 0.65 0.00 1.25 -0.57 0.00 0.00 179.45 180.80 1f6h h HIS 64 N 1.01 0.00 -0.55 -1.35 2.76 -1.14 -3.35 115.15 112.54 1f6h h HIS 64 Ca 0.27 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1f6h h HIS 64 Cb -0.11 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1f6h h HIS 64 CO -0.02 0.00 0.28 0.78 -1.30 0.00 0.00 177.93 177.67 1f6h h GLY 65 N 3.00 0.81 1.21 5.26 0.00 -0.35 -0.88 103.07 112.12 1f6h h GLY 65 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 47.33 46.70 1f6h h GLY 65 CO 0.00 0.35 -1.06 -2.08 0.00 0.00 0.00 176.54 173.74 1f6h h VAL 66 N 0.77 1.28 -0.93 4.60 2.07 -1.69 -3.36 116.25 118.99 1f6h h VAL 66 Ca 0.19 -2.26 0.09 0.00 0.82 0.00 0.00 66.70 65.54 1f6h h VAL 66 Cb 0.06 2.42 -0.12 0.00 -1.52 0.00 0.00 31.29 32.13 1f6h h VAL 66 CO -0.03 0.70 -0.52 0.41 0.02 0.00 0.00 177.57 178.15 1f6h n THR 67 N -3.85 -0.61 -0.21 2.57 -1.04 -0.34 0.17 114.28 110.97 1f6h n THR 67 Ca -0.11 2.23 -0.02 0.00 -2.04 0.00 0.00 64.05 64.11 1f6h n THR 67 Cb 0.89 -2.78 0.09 0.00 -1.82 0.00 0.00 70.33 66.71 1f6h n THR 67 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1f6h h VAL 68 N 0.00 0.94 0.03 12.58 2.07 -1.73 0.83 116.25 130.98 1f6h h VAL 68 Ca 0.17 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1f6h h VAL 68 Cb 0.40 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1f6h h VAL 68 CO -0.88 0.11 -0.07 -0.07 0.02 0.00 0.00 177.57 176.68 1f6h h LEU 69 N 0.60 -0.20 -2.22 2.57 -0.00 0.16 0.35 115.31 116.57 1f6h h LEU 69 Ca 0.28 0.03 0.04 0.00 -0.00 0.00 0.00 57.88 58.22 1f6h h LEU 69 Cb 0.20 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1f6h h LEU 69 CO -0.19 -0.11 0.12 0.71 -0.00 0.00 0.00 178.44 178.98 1f6h h THR 70 N -0.14 0.62 -0.02 0.22 1.35 0.34 4.30 112.91 119.58 1f6h h THR 70 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1f6h h THR 70 Cb 0.16 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1f6h h THR 70 CO -0.05 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.18 1f6h h ALA 71 N 1.87 0.04 0.00 6.62 0.00 0.29 -0.52 119.26 127.56 1f6h h ALA 71 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1f6h h ALA 71 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f6h h ALA 71 CO -0.00 -0.15 -0.02 -0.07 0.00 0.00 0.00 179.25 179.00 1f6h h LEU 72 N -0.47 0.00 -0.27 0.00 4.07 0.38 2.28 115.31 121.30 1f6h h LEU 72 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1f6h h LEU 72 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1f6h h LEU 72 CO 0.01 0.02 0.00 1.23 -1.08 0.00 0.00 178.44 178.62 1f6h h GLY 73 N 1.65 0.00 0.00 0.83 0.00 0.83 0.24 103.07 106.62 1f6h h GLY 73 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1f6h h GLY 73 CO 0.00 0.00 -2.24 0.00 0.00 0.00 0.00 176.54 174.31 1f6h n ALA 74 N -1.99 1.53 0.24 3.60 0.00 0.11 -4.57 120.51 119.43 1f6h n ALA 74 Ca 0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.47 1f6h n ALA 74 Cb 0.45 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1f6h n ALA 74 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f6h h ILE 75 N -0.24 0.00 -0.87 0.00 2.04 0.36 -3.13 117.51 115.67 1f6h h ILE 75 Ca -0.51 -0.10 0.19 0.00 1.00 0.00 0.00 64.86 65.44 1f6h h ILE 75 Cb 1.67 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1f6h h ILE 75 CO -0.16 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.50 1f6h h LEU 76 N -0.71 0.44 -1.13 1.44 3.38 -0.74 0.75 115.31 118.74 1f6h h LEU 76 Ca -0.06 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1f6h h LEU 76 Cb 0.47 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1f6h h LEU 76 CO 0.10 0.19 -0.19 0.11 0.09 0.00 0.00 178.44 178.74 1f6h h LYS 77 N 0.45 0.38 -0.67 1.13 1.79 -1.69 -2.29 116.57 115.66 1f6h h LYS 77 Ca 0.45 -0.12 0.04 0.00 -2.18 0.00 0.00 60.65 58.84 1f6h h LYS 77 Cb 1.05 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.61 1f6h h LYS 77 CO -0.17 0.56 0.40 0.87 -1.08 0.00 0.00 179.45 180.03 1f6h h LYS 78 N 0.34 0.74 -2.07 3.15 1.79 -0.78 -3.47 116.57 116.28 1f6h h LYS 78 Ca 0.06 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.34 1f6h h LYS 78 Cb 0.54 -0.17 0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1f6h h LYS 78 CO 0.04 0.49 -0.23 1.63 -1.08 0.00 0.00 179.45 180.30 1f6h n LYS 79 N -4.73 -1.96 -0.04 3.15 5.02 -0.86 -3.23 118.16 115.51 1f6h n LYS 79 Ca 0.08 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1f6h n LYS 79 Cb 0.12 -3.97 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 1f6h n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f6h n GLY 80 N -1.04 0.84 1.92 0.72 0.00 -1.26 -4.85 105.19 101.53 1f6h n GLY 80 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1f6h n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1f6h n HIS 81 N -2.00 2.22 0.25 1.61 8.25 -1.20 -4.50 115.22 119.85 1f6h n HIS 81 Ca 0.00 -0.94 0.12 0.00 -0.26 0.00 0.00 57.72 56.64 1f6h n HIS 81 Cb 0.00 -0.59 0.65 0.00 1.12 0.00 0.00 29.99 31.17 1f6h n HIS 81 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1f6h h HIS 82 N 3.39 0.00 -0.29 4.41 2.07 -1.86 -3.40 115.15 119.48 1f6h h HIS 82 Ca 0.11 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.72 1f6h h HIS 82 Cb 2.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.10 1f6h h HIS 82 CO 1.17 0.15 0.22 -1.91 -3.07 0.00 0.00 177.93 174.49 1f6h n GLU 83 N -3.56 0.00 -0.17 5.12 0.00 -1.26 0.26 120.64 121.03 1f6h n GLU 83 Ca -0.01 0.17 0.01 0.00 0.00 0.00 0.00 57.16 57.33 1f6h n GLU 83 Cb 0.29 -0.40 0.27 0.00 0.00 0.00 0.00 31.44 31.61 1f6h n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f6h h ALA 84 N 0.14 1.48 0.10 4.31 0.00 -1.99 -3.22 119.26 120.09 1f6h h ALA 84 Ca 0.14 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1f6h h ALA 84 Cb 0.58 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 18.12 1f6h h ALA 84 CO -0.00 0.46 -1.08 0.93 0.00 0.00 0.00 179.25 179.56 1f6h h GLU 85 N 0.91 0.55 -0.33 0.00 3.07 -0.57 -3.40 114.58 114.81 1f6h h GLU 85 Ca 0.24 -0.73 0.09 0.00 -0.50 0.00 0.00 59.36 58.47 1f6h h GLU 85 Cb -0.07 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1f6h h GLU 85 CO -0.05 1.32 0.30 -0.07 -1.40 0.00 0.00 179.01 179.11 1f6h h LEU 86 N 0.13 0.00 -0.04 1.33 4.07 -1.74 -3.15 115.31 115.91 1f6h h LEU 86 Ca -0.16 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 1f6h h LEU 86 Cb 1.78 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.52 1f6h h LEU 86 CO 0.21 0.00 0.01 0.11 -1.08 0.00 0.00 178.44 177.69 1f6h h LYS 87 N 0.00 0.05 -0.26 1.13 1.57 -1.78 -1.46 116.57 115.82 1f6h h LYS 87 Ca 0.15 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1f6h h LYS 87 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1f6h h LYS 87 CO -0.00 0.20 0.17 -1.35 -0.57 0.00 0.00 179.45 177.90 1f6h h PRO 88 N -0.10 0.27 -0.06 3.15 0.11 -1.87 0.48 132.00 133.99 1f6h h PRO 88 Ca 0.01 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1f6h h PRO 88 Cb 0.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1f6h h PRO 88 CO -0.00 0.18 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.63 1f6h h LEU 89 N 0.28 0.34 -2.02 2.35 3.38 -1.71 -2.17 115.31 115.76 1f6h h LEU 89 Ca 0.10 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.57 1f6h h LEU 89 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1f6h h LEU 89 CO -0.02 0.93 0.41 0.00 0.09 0.00 0.00 178.44 179.85 1f6h h ALA 90 N 0.41 2.35 0.00 1.53 0.00 0.13 -2.57 119.26 121.12 1f6h h ALA 90 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1f6h h ALA 90 Cb 0.92 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1f6h h ALA 90 CO 0.06 -0.67 -1.40 1.04 0.00 0.00 0.00 179.25 178.28 1f6h n GLN 91 N -4.10 0.54 0.17 0.00 6.02 -0.11 -3.54 117.38 116.35 1f6h n GLN 91 Ca 0.09 0.36 0.05 0.00 -0.01 0.00 0.00 57.00 57.50 1f6h n GLN 91 Cb 0.62 -1.57 0.52 0.00 1.02 0.00 0.00 30.24 30.83 1f6h n GLN 91 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1f6h h SER 92 N -1.00 0.15 1.38 1.08 0.02 -1.42 0.14 113.55 113.90 1f6h h SER 92 Ca -0.27 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1f6h h SER 92 Cb 1.13 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1f6h h SER 92 CO -0.17 0.19 -0.64 0.45 -1.14 0.00 0.00 176.83 175.52 1f6h h HIS 93 N 0.16 0.00 0.00 3.45 3.86 -1.68 0.59 115.15 121.54 1f6h h HIS 93 Ca 0.04 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 1f6h h HIS 93 Cb 0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1f6h h HIS 93 CO 0.00 0.25 -0.88 0.00 0.86 0.00 0.00 177.93 178.16 1f6h h ALA 94 N 1.75 0.14 0.00 2.45 0.00 -1.46 0.70 119.26 122.83 1f6h h ALA 94 Ca -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 1f6h h ALA 94 Cb 1.22 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1f6h h ALA 94 CO 0.03 0.59 -0.07 1.79 0.00 0.00 0.00 179.25 181.59 1f6h h THR 95 N -1.00 1.65 0.10 0.00 1.35 -0.87 -3.17 112.91 110.97 1f6h h THR 95 Ca -0.18 -2.26 -0.34 0.00 -0.55 0.00 0.00 66.41 63.08 1f6h h THR 95 Cb 0.91 3.14 -0.02 0.00 -1.73 0.00 0.00 68.15 70.44 1f6h h THR 95 CO -0.11 0.56 -1.86 0.11 -0.25 0.00 0.00 175.52 173.97 1f6h h LYS 96 N -1.00 0.21 0.00 4.72 1.57 -1.41 -3.40 116.57 117.26 1f6h h LYS 96 Ca -0.02 -0.35 -0.19 0.00 -1.87 0.00 0.00 60.65 58.22 1f6h h LYS 96 Cb 0.96 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1f6h h LYS 96 CO -0.01 1.03 -1.89 0.72 -0.57 0.00 0.00 179.45 178.73 1f6h n HIS 97 N -3.38 0.40 -3.59 -1.35 8.25 0.20 -5.00 115.22 110.75 1f6h n HIS 97 Ca -0.26 0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.14 1f6h n HIS 97 Cb 1.05 -0.91 0.05 0.00 1.12 0.00 0.00 29.99 31.31 1f6h n HIS 97 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1f6h n LYS 98 N -2.68 -5.40 -3.98 -0.41 4.81 -0.77 -4.98 118.16 104.76 1f6h n LYS 98 Ca -0.16 0.71 -0.34 0.00 -0.87 0.00 0.00 58.31 57.65 1f6h n LYS 98 Cb 0.88 -5.43 -0.14 0.00 0.02 0.00 0.00 35.03 30.35 1f6h n LYS 98 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1f6h s ILE 99 N -3.55 2.69 0.65 3.15 -0.00 0.24 -5.00 121.20 119.38 1f6h s ILE 99 Ca 0.02 -1.36 -0.12 0.00 -0.00 0.00 0.00 60.65 59.19 1f6h s ILE 99 Cb -0.00 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.46 39.94 1f6h s ILE 99 CO 0.78 0.01 1.05 -2.16 -0.00 0.00 0.00 174.94 174.62 1f6h s PRO 100 N 1.23 3.19 0.51 0.37 0.04 -1.26 -4.53 135.00 134.55 1f6h s PRO 100 Ca -0.05 0.98 0.37 0.00 0.04 0.00 0.00 61.00 62.34 1f6h s PRO 100 Cb -0.19 -2.02 1.52 0.00 0.04 0.00 0.00 34.50 33.85 1f6h s PRO 100 CO -0.03 -0.90 1.71 0.97 0.04 0.00 0.00 177.00 178.78 1f6h h ILE 101 N -0.28 0.26 0.00 0.56 6.09 -1.95 0.59 117.51 122.78 1f6h h ILE 101 Ca -0.45 -0.02 -0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1f6h h ILE 101 Cb 1.21 0.19 -0.00 0.00 0.47 0.00 0.00 36.82 38.69 1f6h h ILE 101 CO 0.58 0.01 -0.02 0.11 -3.07 0.00 0.00 178.15 175.76 1f6h h LYS 102 N 0.07 0.00 0.12 2.19 1.57 -1.91 1.14 116.57 119.75 1f6h h LYS 102 Ca 0.72 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.21 1f6h h LYS 102 Cb 2.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.94 1f6h h LYS 102 CO -0.12 0.02 -1.37 1.88 -0.57 0.00 0.00 179.45 179.29 1f6h h TYR 103 N 0.00 0.47 -0.01 -1.35 0.99 -0.19 0.13 116.97 117.01 1f6h h TYR 103 Ca -0.00 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1f6h h TYR 103 Cb 0.49 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.20 1f6h h TYR 103 CO 0.00 1.32 -0.00 1.28 -0.00 0.00 0.00 178.16 180.75 1f6h n LEU 104 N -3.49 0.51 -0.05 3.88 4.77 -0.11 0.32 117.00 122.83 1f6h n LEU 104 Ca -0.12 -0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 55.65 1f6h n LEU 104 Cb 1.03 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.02 1f6h n LEU 104 CO 0.52 0.09 -0.87 1.21 -1.33 0.00 0.00 177.39 177.01 1f6h n GLU 105 N -0.60 1.83 -0.13 3.23 0.00 0.38 -3.51 120.64 121.84 1f6h n GLU 105 Ca 0.22 -0.02 -0.11 0.00 0.00 0.00 0.00 57.16 57.25 1f6h n GLU 105 Cb 0.19 -1.31 0.02 0.00 0.00 0.00 0.00 31.44 30.34 1f6h n GLU 105 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1f6h h PHE 106 N 0.00 1.06 -0.09 4.31 0.05 0.93 -1.79 116.94 121.42 1f6h h PHE 106 Ca -0.29 -0.27 -0.19 0.00 3.82 0.00 0.00 57.97 61.04 1f6h h PHE 106 Cb 1.61 -0.24 -0.00 0.00 2.00 0.00 0.00 35.95 39.31 1f6h h PHE 106 CO 0.00 1.08 -0.74 0.97 -0.18 0.00 0.00 178.31 179.43 1f6h h ILE 107 N 0.78 1.36 -0.73 -0.55 6.09 -0.32 0.62 117.51 124.75 1f6h h ILE 107 Ca 0.09 -2.12 0.00 0.00 -1.37 0.00 0.00 64.86 61.46 1f6h h ILE 107 Cb 0.84 2.10 -0.04 0.00 0.47 0.00 0.00 36.82 40.19 1f6h h ILE 107 CO 0.07 0.64 0.46 0.28 -3.07 0.00 0.00 178.15 176.54 1f6h h SER 108 N 0.32 0.86 0.87 2.19 0.02 -1.57 0.44 113.55 116.68 1f6h h SER 108 Ca -0.04 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1f6h h SER 108 Cb 1.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1f6h h SER 108 CO 0.13 0.65 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.74 1f6h h GLU 109 N 1.00 0.00 0.17 3.45 4.39 -1.18 0.55 114.58 122.96 1f6h h GLU 109 Ca 0.27 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1f6h h GLU 109 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1f6h h GLU 109 CO -0.05 0.40 -0.08 0.00 -1.16 0.00 0.00 179.01 178.12 1f6h h ALA 110 N 1.60 -0.23 0.08 3.43 0.00 0.25 -2.28 119.26 122.11 1f6h h ALA 110 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1f6h h ALA 110 Cb 0.95 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1f6h h ALA 110 CO 0.05 -0.36 -0.50 0.82 0.00 0.00 0.00 179.25 179.26 1f6h h ILE 111 N -0.78 0.04 -0.68 0.00 2.04 0.10 0.41 117.51 118.64 1f6h h ILE 111 Ca -0.02 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1f6h h ILE 111 Cb 0.52 0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 1f6h h ILE 111 CO 0.04 0.00 -0.13 0.40 0.00 0.00 0.00 178.15 178.46 1f6h h ILE 112 N -0.70 0.34 -0.02 -0.67 2.04 0.08 0.33 117.51 118.90 1f6h h ILE 112 Ca 0.01 -0.01 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 1f6h h ILE 112 Cb 0.73 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1f6h h ILE 112 CO -0.30 0.00 -0.82 -0.74 0.00 0.00 0.00 178.15 176.29 1f6h h HIS 113 N 0.02 0.37 0.00 1.37 2.76 -0.92 -3.07 115.15 115.68 1f6h h HIS 113 Ca 0.34 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1f6h h HIS 113 Cb 0.54 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 1f6h h HIS 113 CO -0.51 0.97 -0.00 0.28 -1.30 0.00 0.00 177.93 177.37 1f6h h VAL 114 N 0.16 0.02 0.00 5.26 2.07 0.35 0.15 116.25 124.26 1f6h h VAL 114 Ca -0.04 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1f6h h VAL 114 Cb 1.43 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1f6h h VAL 114 CO 0.13 0.00 -0.91 -0.07 0.02 0.00 0.00 177.57 176.74 1f6h h LEU 115 N 0.00 0.00 -0.10 2.57 4.07 -0.86 -3.32 115.31 117.67 1f6h h LEU 115 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1f6h h LEU 115 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1f6h h LEU 115 CO 0.00 0.23 -0.01 -0.74 -1.08 0.00 0.00 178.44 176.84 1f6h h HIS 116 N 0.00 0.20 -0.37 1.13 2.76 -0.94 0.31 115.15 118.24 1f6h h HIS 116 Ca -0.05 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 1f6h h HIS 116 Cb 1.22 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 1f6h h HIS 116 CO 0.00 0.45 -0.02 1.03 -1.30 0.00 0.00 177.93 178.09 1f6h h SER 117 N -0.11 0.66 0.44 3.26 0.87 -1.67 -3.06 113.55 113.95 1f6h h SER 117 Ca 0.03 -0.32 -0.23 0.00 -1.23 0.00 0.00 61.79 60.04 1f6h h SER 117 Cb 0.37 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1f6h h SER 117 CO 0.01 0.82 -0.99 0.03 -0.53 0.00 0.00 176.83 176.17 1f6h h ARG 118 N 0.48 0.34 -4.42 2.24 3.08 -1.66 -3.41 114.38 111.02 1f6h h ARG 118 Ca 0.10 -0.40 -0.65 0.00 0.07 0.00 0.00 59.98 59.10 1f6h h ARG 118 Cb 0.50 0.12 -0.40 0.00 0.08 0.00 0.00 29.97 30.27 1f6h h ARG 118 CO 0.02 1.10 -0.71 -1.01 -1.07 0.00 0.00 179.97 178.30 1f6h s HIS 119 N -3.14 3.49 -0.02 3.04 3.76 0.11 -5.00 115.29 117.53 1f6h s HIS 119 Ca -0.05 -2.90 -0.01 0.00 -0.15 0.00 0.00 55.06 51.95 1f6h s HIS 119 Cb 0.09 -2.79 -0.00 0.00 1.11 0.00 0.00 32.58 30.98 1f6h s HIS 119 CO 0.86 -0.92 -0.02 -1.00 -0.85 0.00 0.00 174.74 172.81 1f6h h PRO 120 N 7.52 0.00 0.00 8.40 0.13 -1.79 -3.29 132.00 142.97 1f6h h PRO 120 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1f6h h PRO 120 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1f6h h PRO 120 CO 0.53 0.00 -0.13 0.78 -0.23 0.00 0.00 178.00 178.95 1f6h h GLY 121 N -0.17 0.00 1.87 1.56 0.00 -1.94 -3.02 103.07 101.37 1f6h h GLY 121 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1f6h h GLY 121 CO 0.00 0.00 -0.15 -0.55 0.00 0.00 0.00 176.54 175.84 1f6h h ASP 122 N 0.00 0.15 -3.21 0.19 3.32 -1.96 -3.40 116.42 111.50 1f6h h ASP 122 Ca -0.00 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.44 1f6h h ASP 122 Cb 1.05 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.49 1f6h h ASP 122 CO 0.02 0.31 0.78 0.12 -1.72 0.00 0.00 179.24 178.75 1f6h s PHE 123 N -4.69 3.25 0.62 4.55 5.36 -1.14 -4.98 117.98 120.94 1f6h s PHE 123 Ca -0.05 1.30 -0.06 0.00 -0.96 0.00 0.00 56.93 57.16 1f6h s PHE 123 Cb 0.16 -3.44 0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1f6h s PHE 123 CO 0.72 -0.60 0.93 0.20 -1.46 0.00 0.00 175.22 175.01 1f6h s GLY 124 N 1.43 1.62 0.00 13.12 0.00 -1.26 -4.90 107.32 117.33 1f6h s GLY 124 Ca 0.43 -0.72 0.30 0.00 0.00 0.00 0.00 44.72 44.73 1f6h s GLY 124 CO 0.10 -0.41 2.00 0.00 0.00 0.00 0.00 173.10 174.79 1f6h n ALA 125 N -2.67 2.56 -0.05 3.20 0.00 -1.26 -2.44 120.51 119.85 1f6h n ALA 125 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1f6h n ALA 125 Cb 0.58 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 1f6h n ALA 125 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f6h n ASP 126 N -1.24 1.54 0.04 0.00 5.75 -1.26 -4.59 116.55 116.79 1f6h n ASP 126 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.79 1f6h n ASP 126 Cb 0.26 1.04 -0.02 0.00 -1.03 0.00 0.00 41.12 41.37 1f6h n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f6h h ALA 127 N 0.85 0.44 -0.55 2.12 0.00 -1.83 -3.14 119.26 117.16 1f6h h ALA 127 Ca -0.29 -0.64 0.08 0.00 0.00 0.00 0.00 54.91 54.06 1f6h h ALA 127 Cb 1.59 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 1f6h h ALA 127 CO 0.02 0.76 -0.44 0.37 0.00 0.00 0.00 179.25 179.95 1f6h h GLN 128 N 0.32 -0.24 -0.10 0.00 5.75 -1.73 -1.58 115.11 117.53 1f6h h GLN 128 Ca -0.06 0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.29 1f6h h GLN 128 Cb 1.44 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.03 1f6h h GLN 128 CO 0.15 -0.16 -0.64 0.78 -2.65 0.00 0.00 178.83 176.31 1f6h h GLY 129 N -0.25 0.43 2.00 2.39 0.00 -1.86 -2.91 103.07 102.87 1f6h h GLY 129 Ca 0.17 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1f6h h GLY 129 CO -0.67 0.49 -0.00 0.00 0.00 0.00 0.00 176.54 176.36 1f6h h ALA 130 N 1.03 1.18 0.03 3.60 0.00 -1.26 0.28 119.26 124.13 1f6h h ALA 130 Ca -0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1f6h h ALA 130 Cb 1.18 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1f6h h ALA 130 CO 0.11 0.00 -0.85 0.52 0.00 0.00 0.00 179.25 179.03 1f6h h MET 131 N 0.00 0.51 0.43 0.00 2.07 -1.17 -2.10 114.93 114.67 1f6h h MET 131 Ca -0.00 -0.60 -0.02 0.00 -2.07 0.00 0.00 59.70 57.01 1f6h h MET 131 Cb 0.01 0.18 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1f6h h MET 131 CO 0.00 1.22 -0.21 -0.91 1.07 0.00 0.00 176.91 178.09 1f6h h ASN 132 N 0.07 -0.49 -0.67 1.22 -0.26 -0.56 0.52 115.58 115.40 1f6h h ASN 132 Ca -0.12 0.02 0.19 0.00 -0.56 0.00 0.00 56.30 55.83 1f6h h ASN 132 Cb 1.55 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 38.91 1f6h h ASN 132 CO 0.17 -0.24 0.48 0.11 -1.06 0.00 0.00 177.43 176.88 1f6h h LYS 133 N -0.79 0.03 0.00 0.81 1.79 -0.85 8.45 116.57 126.02 1f6h h LYS 133 Ca -0.06 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.22 1f6h h LYS 133 Cb 0.44 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1f6h h LYS 133 CO 0.10 0.02 -0.90 0.00 -1.08 0.00 0.00 179.45 177.59 1f6h h ALA 134 N 1.67 0.49 0.08 3.86 0.00 -1.27 -2.47 119.26 121.61 1f6h h ALA 134 Ca 0.32 -0.82 -0.27 0.00 0.00 0.00 0.00 54.91 54.14 1f6h h ALA 134 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1f6h h ALA 134 CO -0.01 1.13 -1.43 -0.07 0.00 0.00 0.00 179.25 178.86 1f6h h LEU 135 N 0.00 0.26 -2.39 0.00 -0.00 0.78 -3.24 115.31 110.72 1f6h h LEU 135 Ca -0.01 -0.78 0.00 0.00 -0.00 0.00 0.00 57.88 57.09 1f6h h LEU 135 Cb 1.61 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 1f6h h LEU 135 CO 0.12 1.61 0.00 -0.33 -0.00 0.00 0.00 178.44 179.83 1f6h h GLU 136 N -0.46 0.00 0.12 1.13 5.08 1.71 1.13 114.58 123.29 1f6h h GLU 136 Ca -0.33 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.72 1f6h h GLU 136 Cb 1.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1f6h h GLU 136 CO -0.02 0.00 -1.55 1.25 -1.00 0.00 0.00 179.01 177.69 1f6h h LEU 137 N 0.00 0.40 -0.25 1.33 7.12 -1.56 0.29 115.31 122.63 1f6h h LEU 137 Ca 0.00 -0.57 -0.08 0.00 0.13 0.00 0.00 57.88 57.37 1f6h h LEU 137 Cb 0.09 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.09 1f6h h LEU 137 CO 0.00 1.47 -0.15 2.19 -0.13 0.00 0.00 178.44 181.82 1f6h h PHE 138 N 0.07 0.64 -0.17 1.25 -0.00 -0.59 0.04 116.94 118.18 1f6h h PHE 138 Ca -0.25 -0.17 -0.10 0.00 -0.00 0.00 0.00 57.97 57.45 1f6h h PHE 138 Cb 2.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 37.82 1f6h h PHE 138 CO 0.06 0.82 -0.34 0.00 -0.00 0.00 0.00 178.31 178.86 1f6h h ARG 139 N 0.27 0.35 0.00 6.09 3.08 0.11 -2.91 114.38 121.36 1f6h h ARG 139 Ca 0.05 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1f6h h ARG 139 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1f6h h ARG 139 CO 0.04 0.65 -0.50 -0.22 -1.07 0.00 0.00 179.97 178.87 1f6h h LYS 140 N 0.30 0.00 -0.09 0.04 3.11 -0.18 -3.08 116.57 116.68 1f6h h LYS 140 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1f6h h LYS 140 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1f6h h LYS 140 CO 0.06 0.50 0.00 -0.25 -2.81 0.00 0.00 179.45 176.94 1f6h n ASP 141 N -3.45 2.16 -0.09 4.20 9.92 -0.02 -3.58 116.55 125.69 1f6h n ASP 141 Ca 0.00 -1.73 -0.13 0.00 -0.53 0.00 0.00 54.79 52.40 1f6h n ASP 141 Cb 0.63 -0.05 -0.08 0.00 -0.64 0.00 0.00 41.12 40.98 1f6h n ASP 141 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1f6h n ILE 142 N 0.67 1.03 0.17 0.53 -6.64 -1.19 -4.18 119.36 109.75 1f6h n ILE 142 Ca 0.17 -0.38 0.03 0.00 -1.77 0.00 0.00 62.75 60.80 1f6h n ILE 142 Cb 0.44 -1.22 0.40 0.00 -1.44 0.00 0.00 39.64 37.83 1f6h n ILE 142 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1f6h h ALA 143 N -0.09 1.51 0.00 -1.28 0.00 -1.70 0.19 119.26 117.89 1f6h h ALA 143 Ca -0.41 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1f6h h ALA 143 Cb 1.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1f6h h ALA 143 CO -0.09 0.36 -0.31 0.00 0.00 0.00 0.00 179.25 179.21 1f6h h ALA 144 N 1.68 0.90 0.00 0.00 0.00 -1.79 -3.12 119.26 116.92 1f6h h ALA 144 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1f6h h ALA 144 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1f6h h ALA 144 CO 0.03 0.39 -0.78 0.87 0.00 0.00 0.00 179.25 179.76 1f6h h LYS 145 N 0.00 0.00 0.00 0.00 1.79 -0.89 -2.99 116.57 114.48 1f6h h LYS 145 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1f6h h LYS 145 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1f6h h LYS 145 CO 0.04 0.20 0.00 0.66 -1.08 0.00 0.00 179.45 179.27 1f6h n TYR 146 N -2.96 0.00 0.03 -1.35 0.53 -0.05 0.85 117.16 114.21 1f6h n TYR 146 Ca -0.01 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.72 1f6h n TYR 146 Cb 0.67 -0.14 -0.14 0.00 -1.03 0.00 0.00 39.34 38.70 1f6h n TYR 146 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 1f6h h LYS 147 N 0.00 0.17 -0.00 -0.72 1.57 -1.67 1.44 116.57 117.36 1f6h h LYS 147 Ca 0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1f6h h LYS 147 Cb 0.03 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1f6h h LYS 147 CO 0.00 0.96 -0.21 -1.91 -0.57 0.00 0.00 179.45 177.72 1f6h n GLU 148 N -3.34 0.35 -0.12 3.15 2.13 0.25 -3.72 120.64 119.33 1f6h n GLU 148 Ca -0.18 -0.14 -0.14 0.00 0.66 0.00 0.00 57.16 57.36 1f6h n GLU 148 Cb 1.04 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 31.11 1f6h n GLU 148 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1f6h n LEU 149 N -1.21 1.61 0.00 4.31 4.32 1.00 -5.00 117.00 122.03 1f6h n LEU 149 Ca 0.10 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1f6h n LEU 149 Cb 0.31 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1f6h n LEU 149 CO 0.28 0.74 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 1f6h n GLY 150 N 2.03 0.67 0.54 -0.72 0.00 0.49 -4.87 105.19 103.33 1f6h n GLY 150 Ca -0.40 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1f6h n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f6h n TYR 151 N -2.28 0.00 -0.93 1.61 4.19 -0.89 -5.00 117.16 113.86 1f6h n TYR 151 Ca 0.00 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.91 1f6h n TYR 151 Cb 0.03 -0.01 0.16 0.00 0.49 0.00 0.00 39.34 40.01 1f6h n TYR 151 CO 0.00 0.00 0.00 1.14 0.91 0.00 0.00 176.86 178.91 1f6h s GLN 152 N -2.41 1.03 0.00 2.98 -2.07 -1.11 -5.04 119.66 113.04 1f6h s GLN 152 Ca 0.20 1.16 0.00 0.00 -1.82 0.00 0.00 55.36 54.91 1f6h s GLN 152 Cb 0.18 -1.76 0.00 0.00 -1.09 0.00 0.00 33.01 30.35 1f6h s GLN 152 CO 0.53 -2.50 0.00 0.41 -1.32 0.00 0.00 175.29 172.41