#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf6 s LEU 2 N 0.00 5.77 0.39 -0.89 1.43 -1.26 -4.95 118.68 119.17 1xf6 s LEU 2 Ca 0.00 -1.61 0.07 0.00 -1.03 0.00 0.00 54.13 51.56 1xf6 s LEU 2 Cb 0.00 -2.26 0.82 0.00 0.03 0.00 0.00 46.19 44.78 1xf6 s LEU 2 CO 0.00 -1.00 2.03 0.44 0.23 0.00 0.00 176.35 178.05 1xf6 h ASP 3 N 9.05 0.54 0.22 2.29 3.32 -2.04 -0.83 116.42 128.96 1xf6 h ASP 3 Ca -0.29 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1xf6 h ASP 3 Cb 1.09 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1xf6 h ASP 3 CO 1.07 0.38 -0.04 0.00 -1.72 0.00 0.00 179.24 178.93 1xf6 h ALA 4 N 1.69 1.25 -0.51 3.45 0.00 -1.98 -2.43 119.26 120.73 1xf6 h ALA 4 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xf6 h ALA 4 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xf6 h ALA 4 CO -0.05 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1xf6 n PHE 5 N -3.49 1.06 -0.31 0.00 0.99 -0.32 -4.65 117.46 110.75 1xf6 n PHE 5 Ca -0.02 -0.61 -0.01 0.00 -0.00 0.00 0.00 57.45 56.81 1xf6 n PHE 5 Cb 0.15 -0.17 0.12 0.00 -1.00 0.00 0.00 39.48 38.58 1xf6 n PHE 5 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1xf6 h SER 6 N 3.16 0.87 0.93 4.37 4.64 -1.40 -1.09 113.55 125.04 1xf6 h SER 6 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1xf6 h SER 6 Cb 1.21 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1xf6 h SER 6 CO 0.14 0.58 -0.70 0.03 -0.87 0.00 0.00 176.83 176.02 1xf6 h ARG 7 N 1.02 0.00 0.07 4.77 3.08 -1.84 -2.88 114.38 118.60 1xf6 h ARG 7 Ca 0.35 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1xf6 h ARG 7 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1xf6 h ARG 7 CO -0.14 0.70 -0.04 0.28 -1.07 0.00 0.00 179.97 179.70 1xf6 h VAL 8 N 0.00 0.92 0.00 2.04 2.07 -1.68 -1.15 116.25 118.46 1xf6 h VAL 8 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xf6 h VAL 8 Cb 1.35 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1xf6 h VAL 8 CO 0.09 0.00 -0.13 -0.37 0.02 0.00 0.00 177.57 177.18 1xf6 h VAL 9 N -0.10 0.28 -0.34 2.57 -1.51 -1.16 -1.99 116.25 113.99 1xf6 h VAL 9 Ca -0.01 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1xf6 h VAL 9 Cb 0.08 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1xf6 h VAL 9 CO 0.01 0.13 0.00 0.35 -1.23 0.00 0.00 177.57 176.83 1xf6 n THR 10 N -3.20 0.45 -3.13 7.19 -2.24 -1.09 -4.92 114.28 107.33 1xf6 n THR 10 Ca 0.01 -0.56 -0.22 0.00 -2.27 0.00 0.00 64.05 61.01 1xf6 n THR 10 Cb 0.46 0.52 0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1xf6 n THR 10 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xf6 n ASN 11 N 0.85 -4.71 0.12 3.42 3.02 -0.75 -4.86 115.26 112.36 1xf6 n ASN 11 Ca 0.17 -0.29 -0.02 0.00 -0.03 0.00 0.00 54.58 54.41 1xf6 n ASN 11 Cb 0.43 -3.86 0.08 0.00 -0.61 0.00 0.00 39.78 35.83 1xf6 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xf6 h ALA 12 N 0.99 0.74 -2.90 5.41 0.00 -1.47 -3.46 119.26 118.56 1xf6 h ALA 12 Ca -0.46 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 53.81 1xf6 h ALA 12 Cb 1.31 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1xf6 h ALA 12 CO 0.53 0.87 0.04 0.16 0.00 0.00 0.00 179.25 180.86 1xf6 s ASP 13 N -6.70 -0.19 -0.08 0.00 1.47 -1.25 -5.05 116.67 104.86 1xf6 s ASP 13 Ca 0.00 -0.71 0.19 0.00 1.18 0.00 0.00 52.55 53.22 1xf6 s ASP 13 Cb 0.11 0.64 0.70 0.00 -0.34 0.00 0.00 42.92 44.02 1xf6 s ASP 13 CO 0.77 -1.20 1.60 -1.20 0.68 0.00 0.00 175.17 175.83 1xf6 n SER 14 N -0.40 4.55 -4.74 2.11 7.64 -1.26 -4.72 113.62 116.80 1xf6 n SER 14 Ca -0.04 -2.34 -0.41 0.00 1.01 0.00 0.00 58.87 57.09 1xf6 n SER 14 Cb 0.61 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1xf6 n SER 14 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xf6 s LYS 15 N -1.64 4.56 0.47 1.43 1.02 -1.26 -5.01 119.74 119.31 1xf6 s LYS 15 Ca 0.50 1.78 -0.23 0.00 0.02 0.00 0.00 55.97 58.05 1xf6 s LYS 15 Cb 0.31 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 1xf6 s LYS 15 CO 0.27 0.02 1.23 0.00 -0.92 0.00 0.00 175.35 175.94 1xf6 s ALA 16 N -0.24 2.97 0.04 5.17 0.00 -1.26 -4.83 121.76 123.61 1xf6 s ALA 16 Ca 0.50 1.06 0.09 0.00 0.00 0.00 0.00 51.96 53.62 1xf6 s ALA 16 Cb -0.31 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1xf6 s ALA 16 CO 0.36 -0.85 -0.25 0.00 0.00 0.00 0.00 175.76 175.02 1xf6 s ALA 17 N -1.45 2.16 -0.06 0.00 0.00 -1.26 -5.14 121.76 116.00 1xf6 s ALA 17 Ca 0.65 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1xf6 s ALA 17 Cb -0.33 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1xf6 s ALA 17 CO 0.40 0.51 -0.16 0.71 0.00 0.00 0.00 175.76 177.22 1xf6 s TYR 18 N -0.79 1.70 -0.31 0.00 4.12 -1.26 -5.06 117.35 115.75 1xf6 s TYR 18 Ca 0.11 -0.60 0.00 0.00 0.02 0.00 0.00 57.07 56.60 1xf6 s TYR 18 Cb -0.10 -1.19 0.10 0.00 -1.52 0.00 0.00 41.96 39.25 1xf6 s TYR 18 CO 0.02 -0.26 0.08 0.08 0.02 0.00 0.00 175.55 175.49 1xf6 s VAL 19 N 0.42 1.17 0.41 0.71 1.01 -1.26 -5.05 120.40 117.80 1xf6 s VAL 19 Ca -0.12 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.32 1xf6 s VAL 19 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1xf6 s VAL 19 CO 0.04 -0.64 0.14 0.61 0.00 0.00 0.00 175.10 175.25 1xf6 n GLY 20 N 4.72 3.26 7.00 4.51 0.00 -1.26 -4.52 105.19 118.89 1xf6 n GLY 20 Ca -0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1xf6 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf6 n GLY 21 N -0.77 2.70 0.29 -0.02 0.00 -1.26 -1.54 105.19 104.59 1xf6 n GLY 21 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.69 1xf6 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 h ALA 22 N -0.76 1.63 -0.45 4.61 0.00 -1.99 -0.67 119.26 121.63 1xf6 h ALA 22 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xf6 h ALA 22 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xf6 h ALA 22 CO 0.00 0.30 0.04 -0.44 0.00 0.00 0.00 179.25 179.15 1xf6 h ASP 23 N 0.50 0.68 -0.24 0.00 5.19 -1.71 -1.46 116.42 119.37 1xf6 h ASP 23 Ca 0.13 -0.14 -0.16 0.00 -0.62 0.00 0.00 57.03 56.23 1xf6 h ASP 23 Cb 0.05 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1xf6 h ASP 23 CO -0.02 0.72 -0.49 0.25 -3.12 0.00 0.00 179.24 176.59 1xf6 h LEU 24 N 0.68 0.85 -0.53 1.55 5.85 -0.40 -0.20 115.31 123.12 1xf6 h LEU 24 Ca 0.14 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1xf6 h LEU 24 Cb 0.36 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1xf6 h LEU 24 CO 0.01 1.24 0.15 -0.61 -0.34 0.00 0.00 178.44 178.89 1xf6 h GLN 25 N 0.50 0.30 -0.45 1.25 4.15 -0.93 -1.29 115.11 118.63 1xf6 h GLN 25 Ca 0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 1xf6 h GLN 25 Cb 1.09 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 1xf6 h GLN 25 CO 0.11 0.20 -0.09 0.00 -1.93 0.00 0.00 178.83 177.11 1xf6 h ALA 26 N 1.38 0.62 -0.70 3.38 0.00 -1.22 -3.09 119.26 119.64 1xf6 h ALA 26 Ca 0.26 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xf6 h ALA 26 Cb 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1xf6 h ALA 26 CO -0.30 0.50 0.38 1.25 0.00 0.00 0.00 179.25 181.08 1xf6 h LEU 27 N 0.70 0.56 -1.71 0.00 5.85 -0.38 -0.73 115.31 119.61 1xf6 h LEU 27 Ca 0.12 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xf6 h LEU 27 Cb 0.63 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1xf6 h LEU 27 CO 0.04 0.35 -0.07 0.11 -0.34 0.00 0.00 178.44 178.53 1xf6 h LYS 28 N 0.70 0.00 0.00 1.25 1.57 -1.18 -1.44 116.57 117.46 1xf6 h LYS 28 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1xf6 h LYS 28 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xf6 h LYS 28 CO -0.20 0.07 -1.09 1.63 -0.57 0.00 0.00 179.45 179.30 1xf6 n LYS 29 N -3.27 0.44 -0.03 3.15 4.76 -0.78 -3.87 118.16 118.55 1xf6 n LYS 29 Ca -0.01 0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 1xf6 n LYS 29 Cb 0.28 -1.67 -0.11 0.00 -1.84 0.00 0.00 35.03 31.69 1xf6 n LYS 29 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1xf6 h PHE 30 N 0.00 0.09 -3.47 2.13 3.57 -0.34 -3.44 116.94 115.48 1xf6 h PHE 30 Ca 0.00 -0.04 -0.48 0.00 3.53 0.00 0.00 57.97 60.98 1xf6 h PHE 30 Cb 0.85 -0.02 0.05 0.00 2.79 0.00 0.00 35.95 39.63 1xf6 h PHE 30 CO 0.00 0.72 0.11 0.96 -2.23 0.00 0.00 178.31 177.87 1xf6 s ILE 31 N -3.59 3.93 0.46 1.41 -4.36 -0.62 -5.09 121.20 113.33 1xf6 s ILE 31 Ca -0.16 -0.05 -0.00 0.00 -0.26 0.00 0.00 60.65 60.17 1xf6 s ILE 31 Cb 0.01 -3.53 -0.00 0.00 1.25 0.00 0.00 42.46 40.19 1xf6 s ILE 31 CO 0.70 -0.51 0.68 -0.94 0.24 0.00 0.00 174.94 175.12 1xf6 s SER 32 N -4.25 5.85 -1.52 4.36 1.04 -1.26 -4.51 113.70 113.39 1xf6 s SER 32 Ca 0.52 0.34 -0.10 0.00 0.48 0.00 0.00 55.95 57.19 1xf6 s SER 32 Cb -0.10 -1.58 0.07 0.00 0.10 0.00 0.00 66.02 64.51 1xf6 s SER 32 CO 0.44 -0.71 0.71 -0.62 0.98 0.00 0.00 173.24 174.04 1xf6 n GLU 33 N -2.11 -4.00 0.18 4.02 1.02 -1.26 -4.72 120.64 113.77 1xf6 n GLU 33 Ca 0.01 0.47 -0.14 0.00 -0.02 0.00 0.00 57.16 57.48 1xf6 n GLU 33 Cb 0.57 -5.03 -0.07 0.00 -0.02 0.00 0.00 31.44 26.90 1xf6 n GLU 33 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1xf6 h GLY 34 N -1.80 -0.62 0.97 0.62 0.00 -1.79 0.23 103.07 100.68 1xf6 h GLY 34 Ca -0.60 0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1xf6 h GLY 34 CO 0.68 -0.25 0.10 3.43 0.00 0.00 0.00 176.54 180.51 1xf6 h ASN 35 N -0.58 0.20 -0.59 0.19 2.35 -1.88 -1.42 115.58 113.85 1xf6 h ASN 35 Ca -0.01 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1xf6 h ASN 35 Cb 0.54 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1xf6 h ASN 35 CO -0.07 0.19 0.30 0.11 -1.65 0.00 0.00 177.43 176.30 1xf6 h LYS 36 N 0.21 0.87 -0.37 0.81 1.57 -1.82 -1.07 116.57 116.77 1xf6 h LYS 36 Ca 0.06 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xf6 h LYS 36 Cb 0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1xf6 h LYS 36 CO -0.01 0.68 0.19 -0.09 -0.57 0.00 0.00 179.45 179.65 1xf6 h ARG 37 N 0.87 0.52 -0.51 3.15 2.43 -0.24 0.92 114.38 121.53 1xf6 h ARG 37 Ca 0.22 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1xf6 h ARG 37 Cb 0.09 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1xf6 h ARG 37 CO -0.03 0.45 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.71 1xf6 h LEU 38 N 0.47 0.93 -0.82 3.80 3.38 -0.95 -1.28 115.31 120.84 1xf6 h LEU 38 Ca 0.13 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1xf6 h LEU 38 Cb 0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1xf6 h LEU 38 CO -0.02 1.04 0.53 0.44 0.09 0.00 0.00 178.44 180.52 1xf6 h ASP 39 N 0.84 0.88 0.00 -0.43 3.32 -0.97 -1.11 116.42 118.94 1xf6 h ASP 39 Ca 0.14 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1xf6 h ASP 39 Cb 0.63 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1xf6 h ASP 39 CO 0.04 0.61 -0.00 0.28 -1.72 0.00 0.00 179.24 178.45 1xf6 h SER 40 N 1.03 -0.00 -0.41 6.45 0.02 -0.34 -1.24 113.55 119.06 1xf6 h SER 40 Ca 0.33 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1xf6 h SER 40 Cb -0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1xf6 h SER 40 CO -0.11 0.04 0.16 0.58 -1.14 0.00 0.00 176.83 176.36 1xf6 h VAL 41 N -0.05 0.90 -0.63 2.27 2.07 -1.12 -2.59 116.25 117.10 1xf6 h VAL 41 Ca -0.00 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1xf6 h VAL 41 Cb 0.05 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1xf6 h VAL 41 CO 0.00 0.06 0.36 -1.13 0.02 0.00 0.00 177.57 176.89 1xf6 h ASN 42 N 0.33 0.57 0.50 0.57 -1.24 -0.91 -0.38 115.58 115.01 1xf6 h ASN 42 Ca 0.19 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 1xf6 h ASN 42 Cb 0.16 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1xf6 h ASN 42 CO -0.18 0.39 -0.30 0.77 -1.29 0.00 0.00 177.43 176.81 1xf6 h SER 43 N 0.70 0.00 0.02 1.15 4.64 -0.88 -1.35 113.55 117.83 1xf6 h SER 43 Ca 0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1xf6 h SER 43 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1xf6 h SER 43 CO -0.14 0.30 -0.01 0.40 -0.87 0.00 0.00 176.83 176.51 1xf6 h ILE 44 N 0.00 0.63 -0.11 0.95 2.04 -1.05 -3.34 117.51 116.64 1xf6 h ILE 44 Ca -0.00 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 1xf6 h ILE 44 Cb 0.63 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1xf6 h ILE 44 CO 0.04 0.21 -0.31 -0.37 0.00 0.00 0.00 178.15 177.72 1xf6 h VAL 45 N -1.00 1.26 0.00 1.67 -1.51 -1.09 -1.69 116.25 113.90 1xf6 h VAL 45 Ca -0.00 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 1xf6 h VAL 45 Cb 0.36 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1xf6 h VAL 45 CO 0.00 0.37 0.00 0.28 -1.23 0.00 0.00 177.57 177.00 1xf6 h SER 46 N 0.19 0.00 -0.26 4.19 0.02 -1.42 -2.20 113.55 114.08 1xf6 h SER 46 Ca 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1xf6 h SER 46 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1xf6 h SER 46 CO 0.05 0.00 -0.00 0.59 -1.14 0.00 0.00 176.83 176.33 1xf6 n ASN 47 N -2.30 3.66 -0.12 3.07 3.02 -0.66 -4.83 115.26 117.09 1xf6 n ASN 47 Ca 0.02 -3.10 -0.09 0.00 -0.03 0.00 0.00 54.58 51.38 1xf6 n ASN 47 Cb 0.22 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1xf6 n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xf6 h ALA 48 N 1.60 0.49 -0.63 5.41 0.00 -1.13 -1.03 119.26 123.98 1xf6 h ALA 48 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xf6 h ALA 48 Cb 1.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1xf6 h ALA 48 CO 0.23 -0.00 0.38 0.77 0.00 0.00 0.00 179.25 180.63 1xf6 h SER 49 N 0.50 0.62 -0.34 0.00 0.02 -1.88 -1.12 113.55 111.35 1xf6 h SER 49 Ca 0.14 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1xf6 h SER 49 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1xf6 h SER 49 CO -0.02 0.43 -0.33 0.00 -1.14 0.00 0.00 176.83 175.77 1xf6 h ILE 51 N 0.60 0.92 -0.26 0.00 2.04 -0.88 0.33 117.51 120.25 1xf6 h ILE 51 Ca 0.05 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1xf6 h ILE 51 Cb 0.91 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1xf6 h ILE 51 CO 0.08 0.03 -0.08 0.58 0.00 0.00 0.00 178.15 178.76 1xf6 h VAL 52 N 0.14 1.29 -0.67 1.67 2.07 -1.16 -1.20 116.25 118.39 1xf6 h VAL 52 Ca 0.09 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1xf6 h VAL 52 Cb 0.08 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1xf6 h VAL 52 CO -0.12 0.35 0.19 0.28 0.02 0.00 0.00 177.57 178.29 1xf6 h SER 53 N 0.25 0.99 -0.30 0.57 0.02 -1.08 -0.82 113.55 113.18 1xf6 h SER 53 Ca 0.06 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 1xf6 h SER 53 Cb 0.56 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1xf6 h SER 53 CO 0.03 0.95 -0.24 -0.78 -1.14 0.00 0.00 176.83 175.65 1xf6 h ASP 54 N 0.98 0.80 -0.38 3.07 3.58 -0.87 0.06 116.42 123.66 1xf6 h ASP 54 Ca 0.21 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1xf6 h ASP 54 Cb 0.32 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1xf6 h ASP 54 CO -0.00 1.00 0.05 0.00 -2.88 0.00 0.00 179.24 177.42 1xf6 h ALA 55 N 1.05 0.50 -0.24 -0.78 0.00 -0.92 0.03 119.26 118.90 1xf6 h ALA 55 Ca 0.09 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1xf6 h ALA 55 Cb 0.75 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xf6 h ALA 55 CO 0.06 0.21 -0.24 0.28 0.00 0.00 0.00 179.25 179.56 1xf6 h VAL 56 N 0.47 1.32 -0.99 0.00 2.07 -1.09 -0.46 116.25 117.57 1xf6 h VAL 56 Ca 0.11 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.28 1xf6 h VAL 56 Cb 0.37 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1xf6 h VAL 56 CO 0.01 0.44 0.65 0.28 0.02 0.00 0.00 177.57 178.96 1xf6 h SER 57 N 0.28 1.05 -0.16 0.57 0.02 -0.98 -1.33 113.55 113.00 1xf6 h SER 57 Ca 0.04 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 1xf6 h SER 57 Cb 0.80 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1xf6 h SER 57 CO 0.06 0.70 -0.69 1.23 -1.14 0.00 0.00 176.83 176.99 1xf6 h GLY 58 N 1.21 0.82 0.21 -3.77 0.00 -0.86 0.13 103.07 100.81 1xf6 h GLY 58 Ca 0.41 -1.13 0.12 0.00 0.00 0.00 0.00 47.33 46.73 1xf6 h GLY 58 CO -0.15 1.01 0.23 1.98 0.00 0.00 0.00 176.54 179.62 1xf6 h MET 59 N 0.46 0.37 -0.19 4.80 1.85 -0.87 -1.65 114.93 119.70 1xf6 h MET 59 Ca -0.04 -0.02 -0.15 0.00 -0.61 0.00 0.00 59.70 58.88 1xf6 h MET 59 Cb 1.32 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.27 1xf6 h MET 59 CO 0.14 0.25 -0.47 0.82 -0.40 0.00 0.00 176.91 177.25 1xf6 h ILE 60 N 0.38 1.32 0.00 1.77 2.04 -1.09 -2.01 117.51 119.93 1xf6 h ILE 60 Ca 0.36 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1xf6 h ILE 60 Cb 0.52 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1xf6 h ILE 60 CO -0.38 0.53 -0.26 0.00 0.00 0.00 0.00 178.15 178.04 1xf6 h GLU 62 N 0.00 0.00 -2.21 0.00 5.08 -1.26 -3.39 114.58 112.80 1xf6 h GLU 62 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1xf6 h GLU 62 Cb 0.49 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.39 1xf6 h GLU 62 CO 0.03 0.46 -0.92 1.21 -1.00 0.00 0.00 179.01 178.79 1xf6 s ASN 63 N -6.46 1.13 0.61 1.42 2.47 -0.52 -5.01 114.94 108.58 1xf6 s ASN 63 Ca 0.01 -2.88 0.35 0.00 0.42 0.00 0.00 52.86 50.77 1xf6 s ASN 63 Cb 0.10 -0.16 2.01 0.00 -1.45 0.00 0.00 41.25 41.74 1xf6 s ASN 63 CO 0.71 -0.16 2.28 -0.65 -3.72 0.00 0.00 177.10 175.56 1xf6 h PRO 64 N 5.62 0.00 0.00 0.43 0.11 -1.43 -2.17 132.00 134.57 1xf6 h PRO 64 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1xf6 h PRO 64 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xf6 h PRO 64 CO 0.32 0.01 0.09 0.66 -0.21 0.00 0.00 178.00 178.87 1xf6 h SER 65 N 0.00 0.00 -0.18 -2.05 4.64 -1.95 -1.69 113.55 112.32 1xf6 h SER 65 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1xf6 h SER 65 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1xf6 h SER 65 CO 0.00 0.00 0.17 -0.07 -0.87 0.00 0.00 176.83 176.06 1xf6 h LEU 66 N 0.00 0.00 -3.01 5.97 3.38 -1.72 -1.84 115.31 118.09 1xf6 h LEU 66 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xf6 h LEU 66 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xf6 h LEU 66 CO 0.00 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.83 1xf6 n ILE 67 N -4.03 1.38 -1.05 1.22 -5.35 -0.64 -1.00 119.36 109.89 1xf6 n ILE 67 Ca 0.01 -1.34 -0.29 0.00 -0.27 0.00 0.00 62.75 60.86 1xf6 n ILE 67 Cb 0.29 0.25 0.17 0.00 -1.74 0.00 0.00 39.64 38.61 1xf6 n ILE 67 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xf6 s SER 68 N -1.42 2.84 0.36 7.28 1.04 -0.69 -4.76 113.70 118.34 1xf6 s SER 68 Ca 0.22 1.48 0.24 0.00 0.48 0.00 0.00 55.95 58.38 1xf6 s SER 68 Cb 0.16 -2.16 1.30 0.00 0.10 0.00 0.00 66.02 65.42 1xf6 s SER 68 CO 0.09 -3.04 1.75 -0.65 0.98 0.00 0.00 173.24 172.37 1xf6 h PRO 69 N -1.83 0.00 -0.04 4.02 0.11 -1.94 -0.43 132.00 131.89 1xf6 h PRO 69 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xf6 h PRO 69 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1xf6 h PRO 69 CO 0.53 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 1xf6 n SER 70 N -2.36 2.68 0.00 -2.05 3.41 -1.26 -4.97 113.62 109.07 1xf6 n SER 70 Ca -0.01 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1xf6 n SER 70 Cb 0.05 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1xf6 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf6 n GLY 71 N 1.12 0.70 0.00 5.00 0.00 -0.17 -5.02 105.19 106.82 1xf6 n GLY 71 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xf6 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 s TYR 74 N 0.00 3.34 0.00 0.00 5.04 -1.17 -3.26 117.35 121.30 1xf6 s TYR 74 Ca 0.00 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1xf6 s TYR 74 Cb 0.00 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.82 1xf6 s TYR 74 CO 0.00 -1.36 0.00 0.25 -1.34 0.00 0.00 175.55 173.10 1xf6 n THR 75 N 1.85 0.00 -0.03 4.34 -2.24 -1.26 -4.15 114.28 112.79 1xf6 n THR 75 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1xf6 n THR 75 Cb 0.44 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.03 1xf6 n THR 75 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xf6 h ASN 76 N 0.00 0.53 0.07 3.42 2.35 -1.99 -1.65 115.58 118.30 1xf6 h ASN 76 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1xf6 h ASN 76 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1xf6 h ASN 76 CO 0.00 0.44 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.07 1xf6 h ARG 77 N 0.61 -0.14 -0.35 0.81 2.43 -1.93 -0.25 114.38 115.56 1xf6 h ARG 77 Ca 0.16 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1xf6 h ARG 77 Cb 0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1xf6 h ARG 77 CO -0.03 -0.09 -0.34 0.00 -1.51 0.00 0.00 179.97 178.00 1xf6 h ARG 78 N -0.14 0.85 -0.44 0.20 3.08 -1.62 -1.75 114.38 114.56 1xf6 h ARG 78 Ca 0.00 -0.45 0.03 0.00 0.07 0.00 0.00 59.98 59.64 1xf6 h ARG 78 Cb 0.14 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1xf6 h ARG 78 CO -0.02 1.09 0.24 1.98 -1.07 0.00 0.00 179.97 182.19 1xf6 h MET 79 N 0.65 0.46 -0.77 0.04 4.05 -1.27 -0.70 114.93 117.39 1xf6 h MET 79 Ca 0.06 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1xf6 h MET 79 Cb 0.93 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.59 1xf6 h MET 79 CO 0.08 0.30 0.38 0.00 0.23 0.00 0.00 176.91 177.91 1xf6 h ALA 80 N 1.22 0.99 -0.66 0.39 0.00 -0.92 -0.55 119.26 119.73 1xf6 h ALA 80 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xf6 h ALA 80 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1xf6 h ALA 80 CO -0.12 0.54 0.22 0.00 0.00 0.00 0.00 179.25 179.90 1xf6 h ALA 81 N 1.20 1.14 -0.12 0.00 0.00 -0.82 0.53 119.26 121.20 1xf6 h ALA 81 Ca 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xf6 h ALA 81 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xf6 h ALA 81 CO -0.04 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 1xf6 h LEU 83 N -0.09 0.69 -0.18 0.00 3.38 -1.03 -0.10 115.31 117.97 1xf6 h LEU 83 Ca 0.03 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1xf6 h LEU 83 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xf6 h LEU 83 CO 0.01 0.46 0.03 -0.09 0.09 0.00 0.00 178.44 178.95 1xf6 h ARG 84 N 0.83 0.10 -0.84 1.13 2.43 -0.71 -1.52 114.38 115.80 1xf6 h ARG 84 Ca 0.30 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1xf6 h ARG 84 Cb 0.09 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1xf6 h ARG 84 CO -0.14 0.07 0.45 -0.44 -1.51 0.00 0.00 179.97 178.39 1xf6 h ASP 85 N 0.10 1.06 -0.79 -3.80 5.19 -0.52 0.75 116.42 118.41 1xf6 h ASP 85 Ca 0.08 -0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1xf6 h ASP 85 Cb 0.08 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.27 1xf6 h ASP 85 CO -0.11 0.86 0.50 1.23 -3.12 0.00 0.00 179.24 178.60 1xf6 h GLY 86 N 1.17 1.17 0.95 2.75 0.00 -0.72 -0.57 103.07 107.82 1xf6 h GLY 86 Ca 0.29 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1xf6 h GLY 86 CO -0.04 0.29 -0.02 -2.09 0.00 0.00 0.00 176.54 174.67 1xf6 h GLU 87 N 0.94 0.71 -0.22 4.80 4.81 -0.63 -0.38 114.58 124.62 1xf6 h GLU 87 Ca 0.33 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1xf6 h GLU 87 Cb 0.08 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1xf6 h GLU 87 CO -0.14 0.82 -0.02 0.82 -0.73 0.00 0.00 179.01 179.76 1xf6 h ILE 88 N 0.54 0.82 -0.20 2.32 2.04 -0.49 0.87 117.51 123.41 1xf6 h ILE 88 Ca 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1xf6 h ILE 88 Cb 0.51 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1xf6 h ILE 88 CO 0.03 0.01 0.13 0.40 0.00 0.00 0.00 178.15 178.71 1xf6 h ILE 89 N 0.04 1.06 -0.91 -0.67 2.04 -1.02 -0.82 117.51 117.24 1xf6 h ILE 89 Ca 0.11 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1xf6 h ILE 89 Cb 0.14 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1xf6 h ILE 89 CO -0.20 0.06 0.58 0.25 0.00 0.00 0.00 178.15 178.85 1xf6 h LEU 90 N 0.26 0.96 -0.45 1.44 5.85 -0.70 -0.44 115.31 122.23 1xf6 h LEU 90 Ca 0.07 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 1xf6 h LEU 90 Cb -0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1xf6 h LEU 90 CO -0.01 0.65 -0.27 0.03 -0.34 0.00 0.00 178.44 178.49 1xf6 h ARG 91 N 1.12 0.98 -0.68 1.25 3.08 -0.46 0.88 114.38 120.54 1xf6 h ARG 91 Ca 0.37 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1xf6 h ARG 91 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1xf6 h ARG 91 CO -0.13 1.12 0.21 1.88 -1.07 0.00 0.00 179.97 181.98 1xf6 h TYR 92 N 0.82 1.07 -0.84 3.04 0.05 -0.77 -0.88 116.97 119.46 1xf6 h TYR 92 Ca 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xf6 h TYR 92 Cb 0.86 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 1xf6 h TYR 92 CO 0.06 0.85 0.54 0.28 -1.05 0.00 0.00 178.16 178.83 1xf6 h VAL 93 N 1.00 1.22 -0.20 -2.88 2.07 -0.82 -1.22 116.25 115.42 1xf6 h VAL 93 Ca 0.22 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1xf6 h VAL 93 Cb 0.28 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1xf6 h VAL 93 CO -0.01 0.22 -0.10 0.77 0.02 0.00 0.00 177.57 178.47 1xf6 h SER 94 N 1.14 0.30 -0.20 0.57 4.64 -0.19 -0.96 113.55 118.85 1xf6 h SER 94 Ca 0.30 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.38 1xf6 h SER 94 Cb -0.11 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1xf6 h SER 94 CO -0.06 0.44 -0.55 0.22 -0.87 0.00 0.00 176.83 176.01 1xf6 h TYR 95 N 0.31 1.00 -0.86 4.77 3.20 -0.72 -0.06 116.97 124.60 1xf6 h TYR 95 Ca 0.06 -0.35 0.07 0.00 3.14 0.00 0.00 58.73 61.64 1xf6 h TYR 95 Cb 0.36 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1xf6 h TYR 95 CO 0.01 1.16 0.53 0.00 -1.64 0.00 0.00 178.16 178.22 1xf6 h ALA 96 N 0.77 1.18 -0.30 1.82 0.00 -0.66 -0.96 119.26 121.11 1xf6 h ALA 96 Ca 0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1xf6 h ALA 96 Cb 1.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xf6 h ALA 96 CO 0.12 0.26 -0.47 1.25 0.00 0.00 0.00 179.25 180.40 1xf6 h LEU 97 N 0.95 0.87 -0.38 0.00 5.85 -0.94 0.19 115.31 121.85 1xf6 h LEU 97 Ca 0.38 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xf6 h LEU 97 Cb 0.19 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1xf6 h LEU 97 CO -0.18 1.20 0.24 0.25 -0.34 0.00 0.00 178.44 179.61 1xf6 h LEU 98 N 0.63 0.45 0.00 2.25 5.85 -0.73 -3.12 115.31 120.64 1xf6 h LEU 98 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xf6 h LEU 98 Cb 1.05 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1xf6 h LEU 98 CO 0.10 0.35 -0.51 0.77 -0.34 0.00 0.00 178.44 178.81 1xf6 h SER 99 N 0.51 0.00 -1.76 1.25 4.64 -1.13 -3.48 113.55 113.57 1xf6 h SER 99 Ca 0.14 -0.13 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 1xf6 h SER 99 Cb -0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1xf6 h SER 99 CO -0.03 0.06 -0.33 0.61 -0.87 0.00 0.00 176.83 176.28 1xf6 n GLY 100 N 1.29 -0.02 3.26 -0.77 0.00 0.61 -4.90 105.19 104.66 1xf6 n GLY 100 Ca 0.03 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1xf6 n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xf6 s ASP 101 N -2.45 -0.43 0.00 1.61 -1.08 -0.88 -5.02 116.67 108.42 1xf6 s ASP 101 Ca 0.00 0.80 0.30 0.00 -0.52 0.00 0.00 52.55 53.13 1xf6 s ASP 101 Cb 0.00 0.75 1.46 0.00 -1.46 0.00 0.00 42.92 43.67 1xf6 s ASP 101 CO 0.00 -0.16 1.99 0.00 0.52 0.00 0.00 175.17 177.52 1xf6 n ALA 102 N 3.48 2.67 -0.04 3.66 0.00 -1.26 -4.25 120.51 124.77 1xf6 n ALA 102 Ca -0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 1xf6 n ALA 102 Cb 0.56 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1xf6 n ALA 102 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xf6 h SER 103 N 0.53 -0.13 -0.64 0.00 0.02 -1.96 -0.11 113.55 111.26 1xf6 h SER 103 Ca 0.00 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1xf6 h SER 103 Cb 0.25 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1xf6 h SER 103 CO 0.00 -0.04 0.28 0.58 -1.14 0.00 0.00 176.83 176.51 1xf6 h VAL 104 N 0.03 1.23 -0.15 2.27 2.07 -1.97 0.83 116.25 120.57 1xf6 h VAL 104 Ca 0.09 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1xf6 h VAL 104 Cb 0.13 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1xf6 h VAL 104 CO -0.18 0.27 -0.14 0.25 0.02 0.00 0.00 177.57 177.80 1xf6 h LEU 105 N 0.90 -0.44 -0.42 2.57 5.85 -1.70 0.53 115.31 122.59 1xf6 h LEU 105 Ca 0.22 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1xf6 h LEU 105 Cb 0.16 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1xf6 h LEU 105 CO -0.02 -0.18 0.21 -0.33 -0.34 0.00 0.00 178.44 177.77 1xf6 h GLU 106 N -0.17 0.60 0.15 1.25 5.08 -0.61 -1.17 114.58 119.71 1xf6 h GLU 106 Ca 0.10 -0.08 -0.32 0.00 -1.00 0.00 0.00 59.36 58.05 1xf6 h GLU 106 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xf6 h GLU 106 CO -0.24 0.51 -1.59 -0.44 -1.00 0.00 0.00 179.01 176.24 1xf6 h ASP 107 N 0.54 0.49 0.00 1.42 3.32 -0.65 -0.58 116.42 120.96 1xf6 h ASP 107 Ca 0.14 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1xf6 h ASP 107 Cb 0.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xf6 h ASP 107 CO -0.02 1.57 -1.00 0.54 -1.72 0.00 0.00 179.24 178.61 1xf6 n ARG 108 N -3.51 1.42 -0.03 3.56 5.12 0.16 -4.40 116.66 118.97 1xf6 n ARG 108 Ca -0.19 -0.04 -0.07 0.00 -1.93 0.00 0.00 57.85 55.62 1xf6 n ARG 108 Cb 1.06 -1.29 -0.02 0.00 -1.16 0.00 0.00 32.46 31.05 1xf6 n ARG 108 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xf6 h LEU 110 N -0.23 0.07 -8.95 0.00 3.38 -1.15 -3.40 115.31 105.03 1xf6 h LEU 110 Ca -0.17 -0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.10 1xf6 h LEU 110 Cb 1.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1xf6 h LEU 110 CO -0.10 1.11 1.24 0.21 0.09 0.00 0.00 178.44 180.99 1xf6 s ASN 111 N -6.40 6.05 0.00 -0.43 3.84 -0.23 -1.41 114.94 116.35 1xf6 s ASN 111 Ca -0.05 1.50 0.00 0.00 0.21 0.00 0.00 52.86 54.52 1xf6 s ASN 111 Cb 0.08 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 1xf6 s ASN 111 CO 0.82 -1.55 0.00 0.61 -2.79 0.00 0.00 177.10 174.20 1xf6 n GLY 112 N 5.16 0.87 0.13 1.21 0.00 -1.26 -4.93 105.19 106.37 1xf6 n GLY 112 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1xf6 n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xf6 h LEU 113 N 0.00 0.37 -0.81 0.99 5.85 -1.45 -2.61 115.31 117.65 1xf6 h LEU 113 Ca 0.00 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1xf6 h LEU 113 Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1xf6 h LEU 113 CO 0.00 0.71 0.48 0.50 -0.34 0.00 0.00 178.44 179.79 1xf6 h LYS 114 N 0.03 0.83 -0.43 1.25 3.64 -1.79 -0.84 116.57 119.24 1xf6 h LYS 114 Ca 0.04 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1xf6 h LYS 114 Cb 0.57 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1xf6 h LYS 114 CO 0.03 0.55 0.19 1.49 -2.27 0.00 0.00 179.45 179.43 1xf6 h GLU 115 N 0.85 0.37 -0.22 1.90 4.81 -1.91 0.97 114.58 121.34 1xf6 h GLU 115 Ca 0.37 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1xf6 h GLU 115 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1xf6 h GLU 115 CO -0.20 0.24 0.12 1.15 -0.73 0.00 0.00 179.01 179.60 1xf6 h THR 116 N 0.38 1.11 -0.88 0.32 2.02 -0.99 -1.53 112.91 113.33 1xf6 h THR 116 Ca 0.19 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1xf6 h THR 116 Cb 0.14 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1xf6 h THR 116 CO -0.17 0.11 0.50 1.88 0.37 0.00 0.00 175.52 178.22 1xf6 h TYR 117 N 0.26 1.19 -0.56 3.16 0.05 -0.73 -1.87 116.97 118.45 1xf6 h TYR 117 Ca 0.08 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1xf6 h TYR 117 Cb 0.06 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 1xf6 h TYR 117 CO -0.04 0.81 0.30 0.77 -1.05 0.00 0.00 178.16 178.95 1xf6 h SER 118 N 1.23 0.71 -0.72 3.88 0.02 -0.67 -0.38 113.55 117.61 1xf6 h SER 118 Ca 0.31 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1xf6 h SER 118 Cb -0.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1xf6 h SER 118 CO -0.05 0.61 0.35 -1.28 -1.14 0.00 0.00 176.83 175.31 1xf6 h SER 119 N 0.76 0.96 1.55 3.07 0.87 -0.77 -3.00 113.55 116.99 1xf6 h SER 119 Ca 0.20 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1xf6 h SER 119 Cb 0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1xf6 h SER 119 CO -0.03 0.81 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.77 1xf6 h LEU 120 N 1.05 0.00 0.21 2.23 3.38 -1.06 -3.48 115.31 117.63 1xf6 h LEU 120 Ca 0.25 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1xf6 h LEU 120 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xf6 h LEU 120 CO -0.03 0.01 -0.04 0.61 0.09 0.00 0.00 178.44 179.08 1xf6 n GLY 121 N 1.20 0.33 3.65 0.83 0.00 -0.24 -5.01 105.19 105.95 1xf6 n GLY 121 Ca 0.04 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1xf6 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf6 s VAL 122 N -2.08 4.35 -0.01 1.61 1.01 -0.65 -4.95 120.40 119.69 1xf6 s VAL 122 Ca 0.00 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 1xf6 s VAL 122 Cb 0.00 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1xf6 s VAL 122 CO 0.00 -0.24 1.45 -2.16 0.00 0.00 0.00 175.10 174.15 1xf6 s PRO 123 N 3.58 4.26 0.20 2.72 0.04 -1.26 -4.71 135.00 139.83 1xf6 s PRO 123 Ca 0.52 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1xf6 s PRO 123 Cb -0.19 -3.63 0.14 0.00 0.04 0.00 0.00 34.50 30.87 1xf6 s PRO 123 CO 0.14 -0.63 1.50 0.00 0.04 0.00 0.00 177.00 178.05 1xf6 h ALA 124 N 8.09 0.72 -0.46 8.56 0.00 -1.91 -0.98 119.26 133.29 1xf6 h ALA 124 Ca -0.38 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 1xf6 h ALA 124 Cb 1.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1xf6 h ALA 124 CO 0.92 0.73 0.22 -2.95 0.00 0.00 0.00 179.25 178.17 1xf6 h ASN 125 N 0.27 0.60 -0.35 0.00 -1.07 -1.90 -0.01 115.58 113.12 1xf6 h ASN 125 Ca -0.01 -0.13 -0.06 0.00 0.07 0.00 0.00 56.30 56.17 1xf6 h ASN 125 Cb 1.18 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 37.26 1xf6 h ASN 125 CO 0.11 0.56 -0.03 0.28 0.07 0.00 0.00 177.43 178.41 1xf6 h SER 126 N 0.60 0.63 -0.79 6.14 0.02 -1.92 -2.46 113.55 115.76 1xf6 h SER 126 Ca 0.16 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1xf6 h SER 126 Cb 0.12 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1xf6 h SER 126 CO -0.02 0.81 0.52 -1.13 -1.14 0.00 0.00 176.83 175.87 1xf6 h ASN 127 N 0.43 0.88 -0.87 3.07 -0.73 -1.03 -1.31 115.58 116.02 1xf6 h ASN 127 Ca 0.09 -0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.27 1xf6 h ASN 127 Cb 0.51 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.84 1xf6 h ASN 127 CO 0.02 0.63 0.57 0.00 -0.37 0.00 0.00 177.43 178.28 1xf6 h ALA 128 N 1.31 1.41 -0.45 1.57 0.00 -0.84 -1.09 119.26 121.18 1xf6 h ALA 128 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1xf6 h ALA 128 Cb -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1xf6 h ALA 128 CO -0.08 0.53 -0.09 -0.09 0.00 0.00 0.00 179.25 179.52 1xf6 h ARG 129 N 1.14 0.85 -0.58 0.00 9.65 -0.85 0.03 114.38 124.61 1xf6 h ARG 129 Ca 0.33 -0.31 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1xf6 h ARG 129 Cb -0.07 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.40 1xf6 h ARG 129 CO -0.08 0.95 0.27 0.00 2.80 0.00 0.00 179.97 183.90 1xf6 h ALA 130 N 0.87 0.75 -0.63 2.80 0.00 -0.73 -0.61 119.26 121.72 1xf6 h ALA 130 Ca 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1xf6 h ALA 130 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xf6 h ALA 130 CO 0.04 -0.11 0.17 0.28 0.00 0.00 0.00 179.25 179.63 1xf6 h VAL 131 N 0.50 1.25 -0.69 0.00 2.07 -0.96 -1.33 116.25 117.09 1xf6 h VAL 131 Ca 0.27 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1xf6 h VAL 131 Cb 0.25 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1xf6 h VAL 131 CO -0.22 0.34 0.28 -1.28 0.02 0.00 0.00 177.57 176.71 1xf6 h SER 132 N 0.92 0.92 -0.18 0.57 0.87 -0.49 0.13 113.55 116.28 1xf6 h SER 132 Ca 0.20 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1xf6 h SER 132 Cb 0.33 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1xf6 h SER 132 CO -0.00 0.81 -0.14 0.40 -0.53 0.00 0.00 176.83 177.38 1xf6 h ILE 133 N 0.99 1.33 -0.83 2.23 2.04 -0.90 -1.70 117.51 120.67 1xf6 h ILE 133 Ca 0.23 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 64.92 1xf6 h ILE 133 Cb 0.17 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1xf6 h ILE 133 CO -0.02 0.38 0.49 0.24 0.00 0.00 0.00 178.15 179.24 1xf6 h MET 134 N 0.07 0.84 -0.15 2.37 2.86 -0.88 -0.89 114.93 119.15 1xf6 h MET 134 Ca 0.03 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1xf6 h MET 134 Cb 0.65 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1xf6 h MET 134 CO 0.04 0.55 -0.01 -0.22 1.06 0.00 0.00 176.91 178.32 1xf6 h LYS 135 N 0.86 0.03 -0.97 1.72 3.64 -0.85 -1.10 116.57 119.90 1xf6 h LYS 135 Ca 0.38 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1xf6 h LYS 135 Cb 0.27 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1xf6 h LYS 135 CO -0.21 0.02 0.63 0.00 -2.27 0.00 0.00 179.45 177.62 1xf6 h ALA 136 N 1.14 1.29 0.05 5.00 0.00 -0.70 -0.66 119.26 125.39 1xf6 h ALA 136 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xf6 h ALA 136 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xf6 h ALA 136 CO -0.13 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.59 1xf6 h ALA 138 N 0.86 0.71 -0.91 0.00 0.00 -0.70 -1.43 119.26 117.80 1xf6 h ALA 138 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xf6 h ALA 138 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xf6 h ALA 138 CO 0.01 0.18 0.55 0.28 0.00 0.00 0.00 179.25 180.28 1xf6 h VAL 139 N 0.76 1.25 -0.45 0.00 2.07 -1.09 -1.35 116.25 117.44 1xf6 h VAL 139 Ca 0.20 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1xf6 h VAL 139 Cb -0.04 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 1xf6 h VAL 139 CO -0.04 0.26 -0.21 0.00 0.02 0.00 0.00 177.57 177.60 1xf6 h ALA 140 N 1.35 0.77 -0.56 1.67 0.00 -0.97 -0.24 119.26 121.27 1xf6 h ALA 140 Ca 0.33 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1xf6 h ALA 140 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1xf6 h ALA 140 CO -0.06 0.66 -0.08 0.74 0.00 0.00 0.00 179.25 180.51 1xf6 h PHE 141 N 0.79 1.15 0.21 0.00 0.04 -0.90 -3.18 116.94 115.05 1xf6 h PHE 141 Ca 0.11 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1xf6 h PHE 141 Cb 0.77 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1xf6 h PHE 141 CO 0.05 1.05 -0.10 0.28 -0.60 0.00 0.00 178.31 178.98 1xf6 h VAL 142 N 0.92 0.30 -2.00 -0.55 2.07 -1.18 -3.36 116.25 112.45 1xf6 h VAL 142 Ca 0.15 -0.93 -0.78 0.00 0.82 0.00 0.00 66.70 65.96 1xf6 h VAL 142 Cb 0.64 0.52 -0.20 0.00 -1.52 0.00 0.00 31.29 30.74 1xf6 h VAL 142 CO 0.04 0.09 1.53 -3.20 0.02 0.00 0.00 177.57 176.04 1xf6 n ASN 143 N -4.96 5.59 -4.48 0.57 5.15 -0.11 -4.66 115.26 112.35 1xf6 n ASN 143 Ca -0.05 -3.21 -0.43 0.00 -0.60 0.00 0.00 54.58 50.28 1xf6 n ASN 143 Cb 0.18 -1.41 -0.09 0.00 -0.53 0.00 0.00 39.78 37.94 1xf6 n ASN 143 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1xf6 s ASN 144 N -0.01 6.18 -0.19 1.20 3.04 -1.20 -4.68 114.94 119.28 1xf6 s ASN 144 Ca 0.36 -0.71 0.11 0.00 0.04 0.00 0.00 52.86 52.67 1xf6 s ASN 144 Cb 0.07 -2.21 0.67 0.00 -1.54 0.00 0.00 41.25 38.24 1xf6 s ASN 144 CO 0.04 -0.56 1.52 0.35 -3.04 0.00 0.00 177.10 175.41 1xf6 n THR 145 N 5.39 2.25 -0.99 -5.21 -2.24 -1.26 -4.95 114.28 107.27 1xf6 n THR 145 Ca -0.08 -1.14 -0.29 0.00 -2.27 0.00 0.00 64.05 60.27 1xf6 n THR 145 Cb 0.47 -0.31 0.19 0.00 -2.10 0.00 0.00 70.33 68.57 1xf6 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xf6 s ALA 146 N -2.43 0.75 0.86 6.98 0.00 -1.26 -5.00 121.76 121.65 1xf6 s ALA 146 Ca 0.45 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1xf6 s ALA 146 Cb 0.34 -3.19 0.11 0.00 0.00 0.00 0.00 23.12 20.38 1xf6 s ALA 146 CO 0.13 -2.98 1.09 -1.54 0.00 0.00 0.00 175.76 172.46 1xf6 s SER 147 N -3.17 3.74 0.28 0.00 1.04 -1.26 -4.85 113.70 109.48 1xf6 s SER 147 Ca 0.66 1.65 0.03 0.00 0.48 0.00 0.00 55.95 58.77 1xf6 s SER 147 Cb -0.20 -2.32 0.69 0.00 0.10 0.00 0.00 66.02 64.28 1xf6 s SER 147 CO 0.59 -2.50 1.71 -0.61 0.98 0.00 0.00 173.24 173.41 1xf6 h GLN 148 N -1.45 0.42 0.00 4.02 5.75 -1.94 -0.16 115.11 121.74 1xf6 h GLN 148 Ca -0.47 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1xf6 h GLN 148 Cb 1.27 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1xf6 h GLN 148 CO 0.52 0.27 0.00 -0.22 -2.65 0.00 0.00 178.83 176.76 1xf6 h LYS 149 N 0.43 0.00 -0.01 1.69 1.63 -1.97 -1.80 116.57 116.54 1xf6 h LYS 149 Ca 0.54 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1xf6 h LYS 149 Cb 0.99 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1xf6 h LYS 149 CO -0.50 0.00 -0.37 1.63 -3.45 0.00 0.00 179.45 176.76 1xf6 n LYS 150 N -2.98 0.88 -3.94 1.90 5.02 -0.08 -4.94 118.16 114.01 1xf6 n LYS 150 Ca -0.01 -0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 55.33 1xf6 n LYS 150 Cb 0.17 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1xf6 n LYS 150 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xf6 s LEU 151 N -2.54 4.28 0.00 -0.35 1.43 -0.68 -5.00 118.68 115.82 1xf6 s LEU 151 Ca 0.21 0.33 0.29 0.00 -1.03 0.00 0.00 54.13 53.93 1xf6 s LEU 151 Cb 0.19 -2.44 1.25 0.00 0.03 0.00 0.00 46.19 45.21 1xf6 s LEU 151 CO 0.56 0.29 1.89 -1.54 0.23 0.00 0.00 176.35 177.79 1xf6 n SER 152 N 1.19 0.22 -4.44 2.29 3.41 -1.26 -4.89 113.62 110.15 1xf6 n SER 152 Ca -0.13 -0.18 -0.22 0.00 -0.26 0.00 0.00 58.87 58.08 1xf6 n SER 152 Cb 0.53 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1xf6 n SER 152 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xf6 s THR 153 N -2.67 2.21 0.27 6.66 -4.23 -1.26 -5.10 115.64 111.51 1xf6 s THR 153 Ca 0.24 -2.32 -0.30 0.00 -1.18 0.00 0.00 61.69 58.12 1xf6 s THR 153 Cb 0.20 -2.25 -0.11 0.00 1.34 0.00 0.00 72.50 71.67 1xf6 s THR 153 CO 0.50 -0.44 1.57 -2.84 -0.54 0.00 0.00 174.62 172.87 1xf6 s PRO 154 N -3.57 4.16 0.37 3.99 0.02 -1.26 -4.90 135.00 133.82 1xf6 s PRO 154 Ca 0.28 2.51 -0.28 0.00 0.02 0.00 0.00 61.00 63.53 1xf6 s PRO 154 Cb -0.03 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 1xf6 s PRO 154 CO 0.13 -0.59 1.43 -1.14 -0.33 0.00 0.00 177.00 176.50 1xf6 s GLN 155 N -0.30 4.12 -0.08 5.54 -0.44 -1.26 -4.96 119.66 122.28 1xf6 s GLN 155 Ca 0.63 2.46 -0.26 0.00 -2.50 0.00 0.00 55.36 55.70 1xf6 s GLN 155 Cb -0.46 -2.96 0.08 0.00 -1.64 0.00 0.00 33.01 28.03 1xf6 s GLN 155 CO 0.45 -0.47 1.14 0.41 0.50 0.00 0.00 175.29 177.32 1xf6 n GLY 156 N 0.56 0.14 3.44 2.59 0.00 -1.26 -5.12 105.19 105.54 1xf6 n GLY 156 Ca 0.01 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 1xf6 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xf6 s ASP 157 N -3.49 6.17 -0.26 1.61 2.15 -1.26 -4.90 116.67 116.70 1xf6 s ASP 157 Ca 0.27 -0.95 0.13 0.00 0.43 0.00 0.00 52.55 52.43 1xf6 s ASP 157 Cb -0.00 -2.21 0.65 0.00 -0.30 0.00 0.00 42.92 41.06 1xf6 s ASP 157 CO -0.02 -0.64 1.63 0.00 -0.17 0.00 0.00 175.17 175.97 1xf6 h SER 159 N 2.33 0.28 -0.07 0.00 4.64 -1.90 -1.64 113.55 117.19 1xf6 h SER 159 Ca 0.14 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1xf6 h SER 159 Cb 1.90 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1xf6 h SER 159 CO 0.49 0.27 0.02 1.23 -0.87 0.00 0.00 176.83 177.98 1xf6 h GLY 160 N 0.47 0.12 1.58 -0.77 0.00 -2.00 -0.95 103.07 101.52 1xf6 h GLY 160 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1xf6 h GLY 160 CO -0.01 0.06 0.06 1.41 0.00 0.00 0.00 176.54 178.06 1xf6 h LEU 161 N -0.07 0.49 -0.49 3.11 3.38 -1.86 -0.42 115.31 119.45 1xf6 h LEU 161 Ca 0.02 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1xf6 h LEU 161 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xf6 h LEU 161 CO -0.00 0.52 0.16 0.00 0.09 0.00 0.00 178.44 179.21 1xf6 h ALA 162 N 1.55 0.65 -0.67 1.53 0.00 -1.04 -0.27 119.26 121.02 1xf6 h ALA 162 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xf6 h ALA 162 Cb 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1xf6 h ALA 162 CO 0.00 0.30 0.40 0.77 0.00 0.00 0.00 179.25 180.72 1xf6 h SER 163 N 0.67 0.64 -0.10 0.00 0.02 -0.59 -1.18 113.55 113.00 1xf6 h SER 163 Ca 0.16 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1xf6 h SER 163 Cb 0.26 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xf6 h SER 163 CO -0.01 0.44 0.05 -0.08 -1.14 0.00 0.00 176.83 176.09 1xf6 h GLU 164 N 0.77 0.14 -0.48 3.45 4.81 -0.73 -1.24 114.58 121.30 1xf6 h GLU 164 Ca 0.28 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1xf6 h GLU 164 Cb 0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1xf6 h GLU 164 CO -0.13 0.21 0.12 -0.24 -0.73 0.00 0.00 179.01 178.23 1xf6 h VAL 165 N 0.04 1.21 -0.96 0.32 3.04 -0.97 -1.92 116.25 117.01 1xf6 h VAL 165 Ca 0.03 -0.75 0.05 0.00 -1.01 0.00 0.00 66.70 65.03 1xf6 h VAL 165 Cb 0.11 0.71 -0.06 0.00 -2.01 0.00 0.00 31.29 30.05 1xf6 h VAL 165 CO -0.00 0.28 0.62 1.23 -1.01 0.00 0.00 177.57 178.68 1xf6 h GLY 166 N 0.91 1.43 1.46 3.17 0.00 -0.83 -1.61 103.07 107.59 1xf6 h GLY 166 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1xf6 h GLY 166 CO -0.00 0.36 0.16 -1.33 0.00 0.00 0.00 176.54 175.73 1xf6 h GLY 167 N 1.16 0.74 0.95 4.60 0.00 -0.45 -0.19 103.07 109.89 1xf6 h GLY 167 Ca 0.40 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1xf6 h GLY 167 CO -0.15 0.36 -0.03 -0.97 0.00 0.00 0.00 176.54 175.75 1xf6 h TYR 168 N 0.68 0.80 -0.91 5.60 0.05 -0.95 -1.83 116.97 120.41 1xf6 h TYR 168 Ca 0.16 -0.15 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1xf6 h TYR 168 Cb 0.19 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 1xf6 h TYR 168 CO 0.01 0.82 0.60 0.74 -1.05 0.00 0.00 178.16 179.28 1xf6 h PHE 169 N 0.54 1.13 -0.32 4.88 -1.00 -0.99 -2.16 116.94 119.01 1xf6 h PHE 169 Ca 0.11 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 1xf6 h PHE 169 Cb 0.52 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1xf6 h PHE 169 CO 0.04 0.68 0.13 -0.44 -1.61 0.00 0.00 178.31 177.11 1xf6 h ASP 170 N 1.18 0.40 -0.47 2.17 3.32 -0.68 -0.82 116.42 121.52 1xf6 h ASP 170 Ca 0.35 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1xf6 h ASP 170 Cb -0.05 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1xf6 h ASP 170 CO -0.09 0.37 0.02 0.11 -1.72 0.00 0.00 179.24 177.93 1xf6 h LYS 171 N 0.45 0.87 0.11 3.56 1.57 -0.70 -0.27 116.57 122.18 1xf6 h LYS 171 Ca 0.11 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1xf6 h LYS 171 Cb 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xf6 h LYS 171 CO -0.01 0.86 -0.05 0.28 -0.57 0.00 0.00 179.45 179.95 1xf6 h VAL 172 N 0.82 0.91 -0.59 0.50 2.07 -0.93 -1.98 116.25 117.05 1xf6 h VAL 172 Ca 0.16 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1xf6 h VAL 172 Cb 0.45 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1xf6 h VAL 172 CO 0.02 0.02 0.29 0.74 0.02 0.00 0.00 177.57 178.66 1xf6 h THR 173 N -0.19 0.90 -0.54 2.57 2.02 -0.93 -1.53 112.91 115.22 1xf6 h THR 173 Ca -0.02 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 1xf6 h THR 173 Cb 0.15 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1xf6 h THR 173 CO 0.03 0.10 0.08 0.00 0.37 0.00 0.00 175.52 176.10 1xf6 h ALA 174 N 1.34 1.14 -0.26 6.16 0.00 -0.96 -1.32 119.26 125.36 1xf6 h ALA 174 Ca 0.28 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1xf6 h ALA 174 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xf6 h ALA 174 CO -0.21 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.13 1xf6 h ALA 175 N 1.28 0.66 -0.00 0.00 0.00 -0.56 -3.34 119.26 117.30 1xf6 h ALA 175 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xf6 h ALA 175 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xf6 h ALA 175 CO 0.01 0.68 -0.64 0.44 0.00 0.00 0.00 179.25 179.73 1xf6 n ILE 176 N -4.00 0.00 1.41 0.00 -5.35 -0.65 -4.52 119.36 106.25 1xf6 n ILE 176 Ca -0.03 -0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.39 1xf6 n ILE 176 Cb 0.58 1.05 0.67 0.00 -1.74 0.00 0.00 39.64 40.20 1xf6 n ILE 176 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59