#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og1 s LEU 5 N 0.00 3.10 0.09 1.53 1.43 0.13 -4.95 118.68 120.02 1og1 s LEU 5 Ca 0.00 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1og1 s LEU 5 Cb 0.00 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 1og1 s LEU 5 CO 0.00 0.15 0.53 -0.04 0.23 0.00 0.00 176.35 177.21 1og1 s MET 6 N -2.48 4.04 -0.25 1.70 -1.94 -1.26 -0.30 119.30 118.82 1og1 s MET 6 Ca 0.23 0.56 -0.04 0.00 -1.71 0.00 0.00 55.69 54.73 1og1 s MET 6 Cb -0.10 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.64 1og1 s MET 6 CO 0.15 0.58 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.56 1og1 s LEU 7 N -1.48 3.23 0.00 -0.03 0.20 0.75 -4.83 118.68 116.52 1og1 s LEU 7 Ca 0.32 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.53 1og1 s LEU 7 Cb -0.17 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 43.83 1og1 s LEU 7 CO 0.18 -0.09 0.00 -0.90 -0.29 0.00 0.00 176.35 175.25 1og1 n ASP 8 N 4.78 0.00 -0.46 3.68 5.68 -1.26 -2.09 116.55 126.88 1og1 n ASP 8 Ca -0.17 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.21 1og1 n ASP 8 Cb 0.49 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.80 1og1 n ASP 8 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1og1 n THR 9 N 0.00 0.22 -3.59 2.12 -2.24 -1.26 -1.22 114.28 108.32 1og1 n THR 9 Ca 0.00 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1og1 n THR 9 Cb 0.00 0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.49 1og1 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1og1 n ALA 10 N 0.15 -2.26 0.29 6.98 0.00 -1.26 -4.49 120.51 119.93 1og1 n ALA 10 Ca 0.14 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1og1 n ALA 10 Cb 0.26 -3.37 0.91 0.00 0.00 0.00 0.00 19.45 17.25 1og1 n ALA 10 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1og1 h PRO 11 N -1.71 0.00 -0.21 0.00 0.13 -1.95 -2.88 132.00 125.38 1og1 h PRO 11 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1og1 h PRO 11 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1og1 h PRO 11 CO 0.51 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 1og1 n ASN 12 N -3.74 2.99 -4.78 1.44 3.02 -1.26 -4.99 115.26 107.94 1og1 n ASN 12 Ca -0.03 -1.89 -0.37 0.00 -0.03 0.00 0.00 54.58 52.26 1og1 n ASN 12 Cb 0.11 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 1og1 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1og1 s ALA 13 N -1.47 3.12 -0.48 5.41 0.00 -1.09 -1.70 121.76 125.55 1og1 s ALA 13 Ca 0.29 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1og1 s ALA 13 Cb 0.18 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1og1 s ALA 13 CO 0.26 -0.28 1.25 0.12 0.00 0.00 0.00 175.76 177.11 1og1 s PHE 14 N -1.57 2.63 -0.17 0.00 5.36 -0.54 -4.83 117.98 118.85 1og1 s PHE 14 Ca 0.57 0.65 0.16 0.00 -0.96 0.00 0.00 56.93 57.35 1og1 s PHE 14 Cb -0.24 -4.41 0.36 0.00 -0.34 0.00 0.00 43.02 38.38 1og1 s PHE 14 CO 0.31 -1.57 1.22 -0.40 -1.46 0.00 0.00 175.22 173.31 1og1 n ASP 15 N 8.34 2.33 -4.62 6.13 5.75 -1.26 -4.89 116.55 128.33 1og1 n ASP 15 Ca 0.13 -3.35 -0.56 0.00 -0.01 0.00 0.00 54.79 51.00 1og1 n ASP 15 Cb 0.49 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 40.03 1og1 n ASP 15 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1og1 n ASP 16 N -1.24 1.59 -0.32 -1.12 -0.08 -1.26 -4.77 116.55 109.35 1og1 n ASP 16 Ca 0.18 1.12 0.08 0.00 -1.51 0.00 0.00 54.79 54.67 1og1 n ASP 16 Cb 0.70 -1.12 -0.02 0.00 2.34 0.00 0.00 41.12 43.03 1og1 n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1og1 n GLN 17 N 3.28 1.58 -3.69 -0.67 6.02 -1.26 -5.01 117.38 117.63 1og1 n GLN 17 Ca 0.22 -0.70 -0.22 0.00 -0.01 0.00 0.00 57.00 56.29 1og1 n GLN 17 Cb 0.14 -1.31 0.04 0.00 1.02 0.00 0.00 30.24 30.14 1og1 n GLN 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1og1 n TYR 18 N -0.33 -2.10 -2.65 1.08 4.01 -1.26 -4.93 117.16 110.97 1og1 n TYR 18 Ca 0.06 0.88 -0.43 0.00 -0.16 0.00 0.00 57.90 58.26 1og1 n TYR 18 Cb 0.35 -4.49 -0.02 0.00 -0.31 0.00 0.00 39.34 34.87 1og1 n TYR 18 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1og1 s GLU 19 N -6.01 4.11 0.00 -0.72 2.02 -1.26 -3.33 118.70 113.50 1og1 s GLU 19 Ca 0.16 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1og1 s GLU 19 Cb -0.08 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1og1 s GLU 19 CO 0.80 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1og1 n GLY 20 N 3.76 0.85 0.58 -1.39 0.00 -1.26 -4.82 105.19 102.91 1og1 n GLY 20 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1og1 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og1 h VAL 22 N 4.20 1.18 -0.66 0.00 2.07 -1.91 0.15 116.25 121.29 1og1 h VAL 22 Ca -0.04 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1og1 h VAL 22 Cb 1.33 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1og1 h VAL 22 CO 0.02 0.18 0.13 0.78 0.02 0.00 0.00 177.57 178.69 1og1 h ASN 23 N 0.88 1.03 -0.51 0.57 2.35 -1.95 0.01 115.58 117.95 1og1 h ASN 23 Ca 0.23 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1og1 h ASN 23 Cb -0.06 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1og1 h ASN 23 CO -0.05 1.01 -0.07 0.50 -1.65 0.00 0.00 177.43 177.18 1og1 h LYS 24 N 0.99 0.97 -0.29 0.81 1.63 -1.84 -2.87 116.57 115.98 1og1 h LYS 24 Ca 0.20 -0.33 -0.14 0.00 -0.85 0.00 0.00 60.65 59.54 1og1 h LYS 24 Cb 0.41 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1og1 h LYS 24 CO 0.01 1.00 -0.36 0.52 -3.45 0.00 0.00 179.45 177.17 1og1 h MET 25 N 0.88 0.76 -0.06 1.90 2.86 -0.23 -1.40 114.93 119.64 1og1 h MET 25 Ca 0.15 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1og1 h MET 25 Cb 0.60 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1og1 h MET 25 CO 0.04 1.05 0.06 0.93 1.06 0.00 0.00 176.91 180.05 1og1 h GLU 26 N 0.51 0.00 0.05 1.72 4.39 -0.94 0.63 114.58 120.95 1og1 h GLU 26 Ca 0.04 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.47 1og1 h GLU 26 Cb 0.94 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1og1 h GLU 26 CO 0.09 0.00 -1.41 0.93 -1.16 0.00 0.00 179.01 177.46 1og1 h GLU 27 N 0.00 0.11 0.00 2.33 5.08 -1.23 -3.40 114.58 117.48 1og1 h GLU 27 Ca 0.03 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 1og1 h GLU 27 Cb 0.15 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1og1 h GLU 27 CO -0.00 0.93 -2.03 1.17 -1.00 0.00 0.00 179.01 178.08 1og1 n LYS 28 N -3.32 0.66 0.07 2.33 4.81 -0.57 -4.45 118.16 117.69 1og1 n LYS 28 Ca -0.11 -0.06 0.05 0.00 -0.87 0.00 0.00 58.31 57.31 1og1 n LYS 28 Cb 1.01 -1.57 0.48 0.00 0.02 0.00 0.00 35.03 34.97 1og1 n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1og1 h ALA 29 N 1.55 1.77 -0.99 3.14 0.00 0.02 -1.83 119.26 122.93 1og1 h ALA 29 Ca -0.23 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1og1 h ALA 29 Cb 1.54 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1og1 h ALA 29 CO 0.02 0.21 0.65 -1.35 0.00 0.00 0.00 179.25 178.78 1og1 h PRO 30 N 0.41 1.25 -0.23 0.00 0.11 -1.80 0.52 132.00 132.26 1og1 h PRO 30 Ca 0.11 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1og1 h PRO 30 Cb -0.04 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.78 1og1 h PRO 30 CO -0.02 0.83 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.40 1og1 h LEU 31 N 1.29 0.51 -1.17 2.35 3.38 -1.75 -2.87 115.31 117.05 1og1 h LEU 31 Ca 0.38 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1og1 h LEU 31 Cb -0.07 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1og1 h LEU 31 CO -0.10 0.82 0.57 -0.07 0.09 0.00 0.00 178.44 179.75 1og1 h LEU 32 N 0.21 0.89 -0.82 1.67 3.38 -0.48 -1.85 115.31 118.31 1og1 h LEU 32 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1og1 h LEU 32 Cb 0.63 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1og1 h LEU 32 CO 0.04 0.59 0.43 0.25 0.09 0.00 0.00 178.44 179.83 1og1 h LEU 33 N 1.02 1.04 -0.93 1.67 5.85 0.14 0.74 115.31 124.84 1og1 h LEU 33 Ca 0.37 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1og1 h LEU 33 Cb 0.15 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1og1 h LEU 33 CO -0.13 0.86 0.47 -0.61 -0.34 0.00 0.00 178.44 178.69 1og1 h GLN 34 N 1.14 1.22 0.02 1.25 4.15 -1.13 -0.74 115.11 121.03 1og1 h GLN 34 Ca 0.28 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1og1 h GLN 34 Cb 0.07 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1og1 h GLN 34 CO -0.04 0.90 -0.01 0.93 -1.93 0.00 0.00 178.83 178.68 1og1 h GLU 35 N 1.22 -0.03 -0.35 1.69 5.08 -0.96 -0.03 114.58 121.20 1og1 h GLU 35 Ca 0.31 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.74 1og1 h GLU 35 Cb 0.04 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1og1 h GLU 35 CO -0.05 0.12 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.50 1og1 h ASP 36 N -0.18 -0.51 -0.48 1.42 3.32 -0.59 -2.61 116.42 116.79 1og1 h ASP 36 Ca -0.00 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1og1 h ASP 36 Cb 0.17 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1og1 h ASP 36 CO 0.01 -0.18 0.32 -0.26 -1.72 0.00 0.00 179.24 177.40 1og1 h PHE 37 N -0.09 0.60 -0.38 4.55 -1.00 -0.92 0.23 116.94 119.94 1og1 h PHE 37 Ca 0.17 0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.08 1og1 h PHE 37 Cb 0.35 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1og1 h PHE 37 CO -0.37 0.38 0.36 -0.91 -1.61 0.00 0.00 178.31 176.16 1og1 h ASN 38 N 0.65 0.00 -0.07 2.17 2.35 -0.63 -1.46 115.58 118.59 1og1 h ASN 38 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1og1 h ASN 38 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1og1 h ASN 38 CO -0.04 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.97 1og1 n MET 39 N -3.92 2.25 -3.16 0.81 2.81 -0.79 -4.84 117.12 110.29 1og1 n MET 39 Ca 0.06 -2.18 -0.16 0.00 -1.81 0.00 0.00 57.70 53.62 1og1 n MET 39 Cb 0.54 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.65 1og1 n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1og1 s ASN 40 N -1.91 0.24 0.25 7.83 3.84 0.00 -4.97 114.94 120.23 1og1 s ASN 40 Ca 0.21 -2.20 -0.04 0.00 0.21 0.00 0.00 52.86 51.04 1og1 s ASN 40 Cb 0.17 0.69 0.33 0.00 -0.55 0.00 0.00 41.25 41.90 1og1 s ASN 40 CO 0.04 -0.15 1.90 0.00 -2.79 0.00 0.00 177.10 176.10 1og1 h ALA 41 N 5.77 1.31 -0.70 1.71 0.00 -1.86 -1.83 119.26 123.66 1og1 h ALA 41 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1og1 h ALA 41 Cb 1.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1og1 h ALA 41 CO 0.20 0.51 0.35 0.87 0.00 0.00 0.00 179.25 181.17 1og1 h LYS 42 N 1.22 1.00 -0.26 0.00 1.57 -1.94 -1.80 116.57 116.35 1og1 h LYS 42 Ca 0.40 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1og1 h LYS 42 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1og1 h LYS 42 CO -0.13 0.78 0.04 1.25 -0.57 0.00 0.00 179.45 180.81 1og1 h LEU 43 N 0.97 0.41 -0.65 2.94 5.85 -1.78 -1.65 115.31 121.40 1og1 h LEU 43 Ca 0.24 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1og1 h LEU 43 Cb 0.10 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 1og1 h LEU 43 CO -0.03 0.57 0.27 0.50 -0.34 0.00 0.00 178.44 179.41 1og1 h LYS 44 N 0.23 0.46 -0.31 1.25 3.64 -1.12 0.28 116.57 121.00 1og1 h LYS 44 Ca 0.08 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1og1 h LYS 44 Cb 0.34 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1og1 h LYS 44 CO 0.01 0.30 0.05 0.28 -2.27 0.00 0.00 179.45 177.81 1og1 h VAL 45 N 0.47 1.24 -0.84 2.00 2.07 -1.22 -0.84 116.25 119.12 1og1 h VAL 45 Ca 0.33 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1og1 h VAL 45 Cb 0.40 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1og1 h VAL 45 CO -0.30 0.27 0.45 0.00 0.02 0.00 0.00 177.57 178.01 1og1 h ALA 46 N 0.88 1.21 -0.24 1.67 0.00 -0.55 -2.05 119.26 120.18 1og1 h ALA 46 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1og1 h ALA 46 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1og1 h ALA 46 CO 0.01 0.63 0.00 2.35 0.00 0.00 0.00 179.25 182.24 1og1 h TRP 47 N 1.18 0.47 -0.67 0.00 2.91 -0.19 0.49 115.95 120.14 1og1 h TRP 47 Ca 0.29 -0.08 0.01 0.00 1.13 0.00 0.00 58.89 60.24 1og1 h TRP 47 Cb 0.04 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 1og1 h TRP 47 CO 0.01 0.60 0.44 0.93 -1.03 0.00 0.00 178.44 179.39 1og1 h GLU 48 N 0.21 0.88 -0.51 2.65 5.08 -1.03 0.18 114.58 122.04 1og1 h GLU 48 Ca 0.07 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1og1 h GLU 48 Cb 0.41 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1og1 h GLU 48 CO 0.01 0.58 -0.14 0.93 -1.00 0.00 0.00 179.01 179.39 1og1 h GLU 49 N 0.90 0.98 -0.14 2.33 5.08 -1.28 -3.01 114.58 119.44 1og1 h GLU 49 Ca 0.25 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1og1 h GLU 49 Cb -0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1og1 h GLU 49 CO -0.06 1.05 -0.30 0.00 -1.00 0.00 0.00 179.01 178.70 1og1 h ALA 50 N 0.96 1.23 -0.70 3.43 0.00 -0.14 -2.70 119.26 121.34 1og1 h ALA 50 Ca 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1og1 h ALA 50 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1og1 h ALA 50 CO 0.05 0.52 0.32 -0.22 0.00 0.00 0.00 179.25 179.91 1og1 h LYS 51 N 0.24 1.01 -0.44 0.00 1.63 -0.55 0.80 116.57 119.26 1og1 h LYS 51 Ca 0.03 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.62 1og1 h LYS 51 Cb 0.66 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1og1 h LYS 51 CO 0.05 0.79 0.00 0.87 -3.45 0.00 0.00 179.45 177.72 1og1 h LYS 52 N 1.00 0.77 -0.50 1.90 1.57 -1.36 -0.87 116.57 119.09 1og1 h LYS 52 Ca 0.24 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1og1 h LYS 52 Cb 0.13 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1og1 h LYS 52 CO -0.03 0.84 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.48 1og1 h ARG 53 N 0.62 0.93 -0.68 3.15 9.65 -1.30 -2.70 114.38 124.04 1og1 h ARG 53 Ca 0.12 -0.33 0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1og1 h ARG 53 Cb 0.49 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 1og1 h ARG 53 CO 0.02 0.99 0.45 2.35 2.80 0.00 0.00 179.97 186.58 1og1 h TRP 54 N 0.83 0.86 -0.91 2.20 2.91 -0.64 -1.19 115.95 120.00 1og1 h TRP 54 Ca 0.13 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.33 1og1 h TRP 54 Cb 0.65 -0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 28.94 1og1 h TRP 54 CO 0.04 0.55 0.58 -0.91 -1.03 0.00 0.00 178.44 177.67 1og1 h ASN 55 N 0.92 0.63 0.59 2.65 2.35 -0.84 0.11 115.58 121.99 1og1 h ASN 55 Ca 0.25 0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 55.81 1og1 h ASN 55 Cb -0.10 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1og1 h ASN 55 CO -0.05 0.30 -1.04 0.78 -1.65 0.00 0.00 177.43 175.77 1og1 h ASN 56 N 0.66 0.35 0.01 5.81 2.35 -1.14 -3.36 115.58 120.26 1og1 h ASN 56 Ca 0.47 -0.33 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1og1 h ASN 56 Cb 0.81 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.09 1og1 h ASN 56 CO -0.22 1.19 -0.61 0.40 -1.65 0.00 0.00 177.43 176.53 1og1 h ILE 57 N 0.11 1.43 -0.92 2.81 2.04 -0.24 -3.39 117.51 119.35 1og1 h ILE 57 Ca -0.08 -2.11 0.24 0.00 1.00 0.00 0.00 64.86 63.92 1og1 h ILE 57 Cb 1.72 2.63 -0.16 0.00 -0.74 0.00 0.00 36.82 40.27 1og1 h ILE 57 CO 0.17 0.61 0.07 0.50 0.00 0.00 0.00 178.15 179.49 1og1 h LYS 58 N -0.12 0.06 0.00 2.37 3.64 -0.97 -2.16 116.57 119.38 1og1 h LYS 58 Ca -0.08 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1og1 h LYS 58 Cb 1.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1og1 h LYS 58 CO 0.12 0.04 -0.16 -1.35 -2.27 0.00 0.00 179.45 175.83 1og1 h PRO 59 N 0.06 0.00 0.00 1.90 0.11 -1.77 -3.16 132.00 129.14 1og1 h PRO 59 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1og1 h PRO 59 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1og1 h PRO 59 CO -0.82 0.16 0.00 0.66 -0.21 0.00 0.00 178.00 177.79 1og1 h SER 60 N 0.00 0.00 -5.04 -2.05 4.64 -1.65 -3.45 113.55 105.99 1og1 h SER 60 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1og1 h SER 60 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1og1 h SER 60 CO 0.02 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 176.18 1og1 s ARG 61 N -3.85 1.94 0.14 4.77 1.70 -1.20 -5.16 118.95 117.30 1og1 s ARG 61 Ca -0.02 -1.21 0.01 0.00 -0.47 0.00 0.00 55.73 54.04 1og1 s ARG 61 Cb 0.11 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 35.04 1og1 s ARG 61 CO 0.45 -0.89 0.29 -1.54 -1.08 0.00 0.00 175.30 172.54 1og1 s SER 62 N -3.00 6.36 0.26 -2.89 1.04 -1.26 -4.93 113.70 109.28 1og1 s SER 62 Ca 0.15 0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.92 1og1 s SER 62 Cb -0.05 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 64.07 1og1 s SER 62 CO 0.09 0.06 -0.16 -0.31 0.98 0.00 0.00 173.24 173.90 1og1 s TYR 63 N -1.72 2.08 0.56 5.02 1.51 -1.26 -5.11 117.35 118.44 1og1 s TYR 63 Ca 0.36 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1og1 s TYR 63 Cb -0.11 -0.97 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 1og1 s TYR 63 CO 0.28 0.55 0.72 -2.30 -1.11 0.00 0.00 175.55 173.69 1og1 n PRO 64 N -0.56 0.71 -1.68 -1.71 -0.02 -1.26 -4.80 135.00 125.68 1og1 n PRO 64 Ca -0.06 0.27 -0.45 0.00 -2.02 0.00 0.00 63.50 61.25 1og1 n PRO 64 Cb 0.61 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1og1 n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1og1 n LYS 65 N -0.35 2.21 0.00 -0.52 4.81 -1.26 -0.98 118.16 122.07 1og1 n LYS 65 Ca 0.12 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1og1 n LYS 65 Cb 0.46 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1og1 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og1 n GLY 66 N 2.68 2.32 3.63 3.14 0.00 -1.26 -5.01 105.19 110.69 1og1 n GLY 66 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1og1 n GLY 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1og1 s PHE 67 N -2.30 2.30 0.21 1.61 2.19 -0.15 -4.98 117.98 116.86 1og1 s PHE 67 Ca 0.00 0.65 0.01 0.00 0.33 0.00 0.00 56.93 57.93 1og1 s PHE 67 Cb 0.00 -3.95 0.01 0.00 -1.31 0.00 0.00 43.02 37.77 1og1 s PHE 67 CO 0.00 -2.53 0.11 0.27 1.83 0.00 0.00 175.22 174.90 1og1 n ASN 68 N 8.13 1.94 0.22 6.13 0.23 -1.26 -4.90 115.26 125.75 1og1 n ASN 68 Ca 0.17 -1.77 0.05 0.00 -0.53 0.00 0.00 54.58 52.50 1og1 n ASN 68 Cb 0.46 0.03 0.49 0.00 -2.08 0.00 0.00 39.78 38.68 1og1 n ASN 68 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1og1 h ASP 69 N 0.32 0.00 -0.17 0.53 3.32 -1.99 -1.82 116.42 116.62 1og1 h ASP 69 Ca -0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1og1 h ASP 69 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1og1 h ASP 69 CO 0.23 0.20 0.04 -0.26 -1.72 0.00 0.00 179.24 177.73 1og1 h PHE 70 N 0.00 0.29 -0.29 4.55 0.04 -1.98 0.57 116.94 120.12 1og1 h PHE 70 Ca -0.00 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1og1 h PHE 70 Cb 0.36 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1og1 h PHE 70 CO 0.00 0.41 0.16 0.45 -0.60 0.00 0.00 178.31 178.73 1og1 h HIS 71 N 0.08 0.30 -0.28 -0.55 3.86 -1.70 0.41 115.15 117.26 1og1 h HIS 71 Ca 0.05 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1og1 h HIS 71 Cb 0.27 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1og1 h HIS 71 CO 0.01 0.17 0.07 0.78 0.86 0.00 0.00 177.93 179.82 1og1 h GLY 72 N 0.33 0.48 1.59 2.45 0.00 -1.26 -2.28 103.07 104.37 1og1 h GLY 72 Ca 0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1og1 h GLY 72 CO -0.06 0.28 -0.17 -0.84 0.00 0.00 0.00 176.54 175.74 1og1 h THR 73 N 0.28 1.24 -0.38 4.70 2.02 -0.74 -1.20 112.91 118.83 1og1 h THR 73 Ca 0.09 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 1og1 h THR 73 Cb 0.28 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1og1 h THR 73 CO 0.00 0.36 0.04 0.00 0.37 0.00 0.00 175.52 176.29 1og1 h ALA 74 N 1.37 0.51 -0.43 6.16 0.00 -0.75 0.17 119.26 126.28 1og1 h ALA 74 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1og1 h ALA 74 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1og1 h ALA 74 CO 0.04 0.24 0.02 1.25 0.00 0.00 0.00 179.25 180.80 1og1 h LEU 75 N 0.48 0.72 -0.41 0.00 5.85 -1.26 -0.75 115.31 119.94 1og1 h LEU 75 Ca 0.11 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1og1 h LEU 75 Cb 0.40 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1og1 h LEU 75 CO 0.01 0.84 0.22 0.58 -0.34 0.00 0.00 178.44 179.74 1og1 h VAL 76 N 0.58 1.16 -0.84 1.05 2.07 -1.07 -2.59 116.25 116.61 1og1 h VAL 76 Ca 0.12 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1og1 h VAL 76 Cb 0.45 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1og1 h VAL 76 CO 0.02 0.17 0.52 0.00 0.02 0.00 0.00 177.57 178.29 1og1 h ALA 77 N 1.07 1.33 -0.91 1.67 0.00 -0.68 -2.53 119.26 119.21 1og1 h ALA 77 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1og1 h ALA 77 Cb 0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1og1 h ALA 77 CO -0.02 0.58 0.54 -0.92 0.00 0.00 0.00 179.25 179.44 1og1 h TYR 78 N 1.15 1.21 0.00 0.00 3.20 -0.76 0.14 116.97 121.90 1og1 h TYR 78 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1og1 h TYR 78 Cb -0.07 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.81 1og1 h TYR 78 CO 0.00 0.81 0.00 0.25 -1.64 0.00 0.00 178.16 177.58 1og1 n THR 79 N -4.35 0.53 -2.54 1.81 -2.24 -0.96 -3.85 114.28 102.68 1og1 n THR 79 Ca 0.10 0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.82 1og1 n THR 79 Cb 0.06 -0.81 0.10 0.00 -2.10 0.00 0.00 70.33 67.58 1og1 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og1 n GLY 80 N 0.38 0.64 0.14 3.38 0.00 0.48 -4.60 105.19 105.60 1og1 n GLY 80 Ca 0.07 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 44.14 1og1 n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1og1 n SER 81 N -2.93 0.30 0.05 1.61 3.41 -1.26 -2.64 113.62 112.15 1og1 n SER 81 Ca 0.14 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1og1 n SER 81 Cb 0.48 -0.49 0.51 0.00 -0.26 0.00 0.00 64.21 64.46 1og1 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1og1 n ILE 82 N -1.94 0.35 -0.29 -1.33 0.13 -1.26 -4.13 119.36 110.88 1og1 n ILE 82 Ca -0.01 -0.08 0.04 0.00 -1.10 0.00 0.00 62.75 61.60 1og1 n ILE 82 Cb 0.29 -0.61 0.18 0.00 -0.84 0.00 0.00 39.64 38.66 1og1 n ILE 82 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1og1 h ALA 83 N 2.74 1.20 0.02 1.51 0.00 -1.61 -2.05 119.26 121.06 1og1 h ALA 83 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1og1 h ALA 83 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1og1 h ALA 83 CO 0.00 0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.59 1og1 h VAL 84 N 0.76 1.02 -0.64 0.00 2.07 -1.87 0.89 116.25 118.49 1og1 h VAL 84 Ca 0.41 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.73 1og1 h VAL 84 Cb 0.42 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1og1 h VAL 84 CO -0.27 0.03 0.10 0.44 0.02 0.00 0.00 177.57 177.90 1og1 h ASP 85 N -0.07 1.00 -0.06 0.57 3.45 -1.79 -2.22 116.42 117.30 1og1 h ASP 85 Ca -0.00 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.22 1og1 h ASP 85 Cb 0.07 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1og1 h ASP 85 CO 0.00 1.00 0.01 0.15 -1.57 0.00 0.00 179.24 178.83 1og1 h PHE 86 N 0.98 0.11 -0.56 4.55 3.57 -1.18 -1.91 116.94 122.51 1og1 h PHE 86 Ca 0.20 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1og1 h PHE 86 Cb 0.42 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1og1 h PHE 86 CO 0.03 0.33 0.37 -0.91 -2.23 0.00 0.00 178.31 175.90 1og1 h ASN 87 N -0.15 0.61 -0.19 0.41 2.35 -0.74 -0.91 115.58 116.97 1og1 h ASN 87 Ca 0.02 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1og1 h ASN 87 Cb 0.28 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1og1 h ASN 87 CO 0.00 0.44 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.07 1og1 h ARG 88 N 0.72 0.37 -0.98 0.81 2.43 -1.27 0.09 114.38 116.55 1og1 h ARG 88 Ca 0.21 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1og1 h ARG 88 Cb -0.02 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1og1 h ARG 88 CO -0.05 0.64 0.64 0.00 -1.51 0.00 0.00 179.97 179.68 1og1 h ALA 89 N 0.73 1.32 -0.00 2.80 0.00 -0.82 0.39 119.26 123.67 1og1 h ALA 89 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1og1 h ALA 89 Cb 0.50 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1og1 h ALA 89 CO 0.02 0.50 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 1og1 h VAL 90 N 1.21 1.32 -0.47 0.00 2.07 -0.95 -2.48 116.25 116.95 1og1 h VAL 90 Ca 0.40 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1og1 h VAL 90 Cb 0.05 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1og1 h VAL 90 CO -0.14 0.25 0.23 -0.09 0.02 0.00 0.00 177.57 177.84 1og1 h ARG 91 N -0.40 0.45 -0.78 1.57 2.43 -0.73 -1.31 114.38 115.62 1og1 h ARG 91 Ca 0.00 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1og1 h ARG 91 Cb 0.40 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1og1 h ARG 91 CO 0.00 0.30 0.07 0.39 -1.51 0.00 0.00 179.97 179.21 1og1 n GLU 92 N -4.90 3.19 0.21 0.20 1.02 0.10 -3.97 120.64 116.50 1og1 n GLU 92 Ca 0.03 -1.96 -0.11 0.00 -0.02 0.00 0.00 57.16 55.10 1og1 n GLU 92 Cb 0.12 -1.94 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1og1 n GLU 92 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1og1 h PHE 93 N 2.21 -0.83 -0.53 -0.32 3.57 -0.94 -2.90 116.94 117.20 1og1 h PHE 93 Ca 0.06 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.72 1og1 h PHE 93 Cb 1.55 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.58 1og1 h PHE 93 CO 0.74 -0.42 0.40 -0.22 -2.23 0.00 0.00 178.31 176.58 1og1 h LYS 94 N -0.66 0.00 -0.02 1.11 3.64 -1.60 -0.50 116.57 118.53 1og1 h LYS 94 Ca -0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1og1 h LYS 94 Cb 0.56 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1og1 h LYS 94 CO 0.01 0.00 -0.49 0.93 -2.27 0.00 0.00 179.45 177.62 1og1 h GLU 95 N 0.00 -0.58 -1.74 1.90 3.07 -1.76 -3.36 114.58 112.10 1og1 h GLU 95 Ca 0.25 0.04 -0.49 0.00 -0.50 0.00 0.00 59.36 58.66 1og1 h GLU 95 Cb 1.05 0.13 -0.36 0.00 -0.84 0.00 0.00 28.75 28.74 1og1 h GLU 95 CO -0.00 -0.39 -1.06 0.27 -1.40 0.00 0.00 179.01 176.43 1og1 n ASN 96 N -5.20 0.03 -1.25 1.42 6.94 -0.89 -5.02 115.26 111.29 1og1 n ASN 96 Ca -0.07 -2.90 0.00 0.00 -0.02 0.00 0.00 54.58 51.60 1og1 n ASN 96 Cb 0.36 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1og1 n ASN 96 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1og1 n PRO 97 N 0.99 0.02 -0.06 -0.53 -0.04 -0.25 -2.62 135.00 132.52 1og1 n PRO 97 Ca 0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1og1 n PRO 97 Cb 0.59 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 1og1 n PRO 97 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1og1 n GLY 98 N 1.24 -0.78 2.52 0.55 0.00 -1.26 -4.55 105.19 102.90 1og1 n GLY 98 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1og1 n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1og1 n GLN 99 N -2.45 3.10 -3.31 1.61 6.02 -1.08 -4.95 117.38 116.32 1og1 n GLN 99 Ca -0.19 -3.89 -0.44 0.00 -0.01 0.00 0.00 57.00 52.46 1og1 n GLN 99 Cb 0.86 -2.27 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 1og1 n GLN 99 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1og1 s PHE 100 N -3.78 3.18 -0.67 1.08 5.36 -1.26 -4.94 117.98 116.94 1og1 s PHE 100 Ca 0.53 -0.78 0.01 0.00 -0.96 0.00 0.00 56.93 55.73 1og1 s PHE 100 Cb 0.44 -3.27 0.39 0.00 -0.34 0.00 0.00 43.02 40.23 1og1 s PHE 100 CO -0.19 -0.87 1.70 0.72 -1.46 0.00 0.00 175.22 175.12 1og1 n HIS 101 N 5.53 3.13 -2.38 10.12 8.25 -1.26 -4.21 115.22 134.39 1og1 n HIS 101 Ca -0.10 -2.64 0.02 0.00 -0.26 0.00 0.00 57.72 54.74 1og1 n HIS 101 Cb 0.44 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.72 1og1 n HIS 101 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1og1 n TYR 102 N -0.58 0.00 0.05 4.41 4.01 -1.26 -4.72 117.16 119.06 1og1 n TYR 102 Ca 0.50 -0.46 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 1og1 n TYR 102 Cb 0.46 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.41 1og1 n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1og1 h LYS 103 N 0.76 -0.30 -0.11 -0.72 1.57 -1.90 0.40 116.57 116.28 1og1 h LYS 103 Ca -0.27 0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.31 1og1 h LYS 103 Cb 1.78 0.07 0.01 0.00 0.08 0.00 0.00 32.23 34.17 1og1 h LYS 103 CO 0.03 -0.20 -0.81 0.00 -0.57 0.00 0.00 179.45 177.90 1og1 h ALA 104 N 0.60 0.24 -0.42 3.86 0.00 -1.86 -2.92 119.26 118.77 1og1 h ALA 104 Ca 0.06 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1og1 h ALA 104 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1og1 h ALA 104 CO -0.20 0.64 0.27 0.35 0.00 0.00 0.00 179.25 180.31 1og1 h PHE 105 N 0.45 0.51 -0.46 0.00 3.57 -1.87 -0.36 116.94 118.77 1og1 h PHE 105 Ca -0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1og1 h PHE 105 Cb 1.45 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1og1 h PHE 105 CO 0.10 0.31 0.26 1.25 -2.23 0.00 0.00 178.31 178.00 1og1 h HIS 106 N 0.55 0.49 0.19 0.41 2.76 -0.27 -0.96 115.15 118.31 1og1 h HIS 106 Ca 0.16 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1og1 h HIS 106 Cb -0.04 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 1og1 h HIS 106 CO -0.06 0.27 -0.11 -0.92 -1.30 0.00 0.00 177.93 175.82 1og1 h TYR 107 N 0.53 -0.29 -0.86 5.26 3.20 -1.19 -0.19 116.97 123.42 1og1 h TYR 107 Ca 0.19 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1og1 h TYR 107 Cb 0.04 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1og1 h TYR 107 CO -0.08 -0.18 0.43 1.88 -1.64 0.00 0.00 178.16 178.57 1og1 h TYR 108 N -0.29 1.22 -0.36 -3.82 0.05 -0.92 0.20 116.97 113.05 1og1 h TYR 108 Ca -0.02 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.62 1og1 h TYR 108 Cb 0.24 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 1og1 h TYR 108 CO -0.08 0.87 -0.12 1.25 -1.05 0.00 0.00 178.16 179.03 1og1 h LEU 109 N 1.22 0.73 -0.28 3.88 5.85 -1.11 0.88 115.31 126.49 1og1 h LEU 109 Ca 0.30 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1og1 h LEU 109 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1og1 h LEU 109 CO -0.04 0.94 0.18 0.74 -0.34 0.00 0.00 178.44 179.93 1og1 h THR 110 N 0.51 1.07 -0.31 1.05 2.02 -0.54 -2.38 112.91 114.34 1og1 h THR 110 Ca 0.09 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1og1 h THR 110 Cb 0.64 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1og1 h THR 110 CO 0.04 0.07 -0.18 -0.09 0.37 0.00 0.00 175.52 175.74 1og1 h ARG 111 N 0.38 0.56 -0.17 6.66 9.65 -0.48 -1.40 114.38 129.57 1og1 h ARG 111 Ca 0.10 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1og1 h ARG 111 Cb -0.04 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 1og1 h ARG 111 CO -0.02 0.71 -0.00 0.00 2.80 0.00 0.00 179.97 183.45 1og1 h ALA 112 N 1.31 0.14 -0.55 2.80 0.00 -0.48 0.09 119.26 122.57 1og1 h ALA 112 Ca 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1og1 h ALA 112 Cb 0.59 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1og1 h ALA 112 CO 0.04 -0.44 0.03 -0.07 0.00 0.00 0.00 179.25 178.81 1og1 h LEU 113 N 0.05 0.88 -0.75 0.00 3.38 -1.20 -0.44 115.31 117.24 1og1 h LEU 113 Ca 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1og1 h LEU 113 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1og1 h LEU 113 CO -0.14 0.93 0.38 1.56 0.09 0.00 0.00 178.44 181.26 1og1 h GLN 114 N 0.85 1.06 -0.14 1.13 4.20 -0.77 -0.18 115.11 121.27 1og1 h GLN 114 Ca 0.17 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1og1 h GLN 114 Cb 0.46 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1og1 h GLN 114 CO 0.02 0.81 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.43 1og1 h LEU 115 N 1.04 0.39 0.00 1.46 3.38 -0.73 -3.18 115.31 117.67 1og1 h LEU 115 Ca 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1og1 h LEU 115 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1og1 h LEU 115 CO -0.04 0.82 -0.35 -0.07 0.09 0.00 0.00 178.44 178.90 1og1 h LEU 116 N 0.29 0.00 -9.01 1.67 3.38 -0.70 -3.45 115.31 107.48 1og1 h LEU 116 Ca 0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.41 1og1 h LEU 116 Cb 0.97 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1og1 h LEU 116 CO 0.08 0.10 0.80 -0.55 0.09 0.00 0.00 178.44 178.96 1og1 s SER 117 N -6.05 7.00 0.18 -0.43 0.15 -0.11 -4.89 113.70 109.55 1og1 s SER 117 Ca 0.05 1.19 0.22 0.00 0.70 0.00 0.00 55.95 58.10 1og1 s SER 117 Cb 0.06 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 1og1 s SER 117 CO 0.71 -0.76 1.01 -0.55 1.20 0.00 0.00 173.24 174.85 1og1 h ASN 118 N 7.78 0.00 0.00 5.45 7.08 -1.88 -3.48 115.58 130.53 1og1 h ASN 118 Ca -0.20 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.02 1og1 h ASN 118 Cb 1.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 1og1 h ASN 118 CO 1.00 0.10 0.00 0.61 -2.08 0.00 0.00 177.43 177.06 1og1 n GLY 119 N 1.22 1.73 3.56 9.14 0.00 -1.26 -5.10 105.19 114.46 1og1 n GLY 119 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1og1 n GLY 119 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1og1 n ASP 120 N 0.00 0.36 -4.79 1.61 9.92 -1.26 -4.86 116.55 117.53 1og1 n ASP 120 Ca 0.00 0.92 -0.27 0.00 -0.53 0.00 0.00 54.79 54.91 1og1 n ASP 120 Cb 0.00 -1.28 -0.06 0.00 -0.64 0.00 0.00 41.12 39.14 1og1 n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1og1 s HIS 122 N -1.70 0.83 -0.36 0.00 3.76 0.18 -4.97 115.29 113.03 1og1 s HIS 122 Ca 0.31 -0.64 -0.13 0.00 -0.15 0.00 0.00 55.06 54.45 1og1 s HIS 122 Cb -0.10 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1og1 s HIS 122 CO 0.23 -0.08 0.24 -1.12 -0.85 0.00 0.00 174.74 173.16 1og1 s SER 123 N -2.15 5.94 0.39 1.40 0.01 -1.26 -0.80 113.70 117.23 1og1 s SER 123 Ca -0.01 -0.69 0.04 0.00 1.31 0.00 0.00 55.95 56.61 1og1 s SER 123 Cb -0.05 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 1og1 s SER 123 CO -0.01 -0.32 0.05 0.68 0.41 0.00 0.00 173.24 174.05 1og1 s VAL 124 N 1.66 1.28 0.01 3.43 -7.23 0.15 -4.69 120.40 115.01 1og1 s VAL 124 Ca 0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1og1 s VAL 124 Cb -0.18 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1og1 s VAL 124 CO 0.09 0.00 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.50 1og1 s TYR 125 N -3.08 0.58 -0.05 2.82 1.51 0.22 -0.94 117.35 118.41 1og1 s TYR 125 Ca 0.30 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1og1 s TYR 125 Cb 0.07 -0.37 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 1og1 s TYR 125 CO 0.14 -0.03 -0.03 0.50 -1.11 0.00 0.00 175.55 175.02 1og1 s ARG 126 N -0.58 0.78 0.04 -0.62 3.52 -0.59 0.32 118.95 121.83 1og1 s ARG 126 Ca -0.01 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1og1 s ARG 126 Cb -0.05 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.41 1og1 s ARG 126 CO 0.00 -0.15 0.11 0.20 -0.81 0.00 0.00 175.30 174.65 1og1 s GLY 127 N 1.23 2.05 0.10 8.12 0.00 -1.22 0.10 107.32 117.71 1og1 s GLY 127 Ca -0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1og1 s GLY 127 CO -0.02 -0.85 0.02 -0.51 0.00 0.00 0.00 173.10 171.74 1og1 s THR 128 N -1.33 0.20 -1.83 0.90 -4.23 -0.11 -4.63 115.64 104.61 1og1 s THR 128 Ca 0.28 -1.88 0.15 0.00 -1.18 0.00 0.00 61.69 59.05 1og1 s THR 128 Cb -0.12 -1.85 0.11 0.00 1.34 0.00 0.00 72.50 71.98 1og1 s THR 128 CO 0.20 -0.67 0.96 0.29 -0.54 0.00 0.00 174.62 174.85 1og1 n LYS 129 N -0.03 1.13 -4.71 3.99 5.02 -1.19 -2.79 118.16 119.58 1og1 n LYS 129 Ca -0.09 -1.34 -0.33 0.00 -2.02 0.00 0.00 58.31 54.53 1og1 n LYS 129 Cb 0.63 -1.28 -0.14 0.00 -0.02 0.00 0.00 35.03 34.22 1og1 n LYS 129 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1og1 s THR 130 N -1.28 3.24 0.23 -0.18 2.01 -1.26 -3.50 115.64 114.90 1og1 s THR 130 Ca 0.17 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1og1 s THR 130 Cb 0.12 -2.37 -0.09 0.00 0.01 0.00 0.00 72.50 70.17 1og1 s THR 130 CO 0.20 0.53 1.36 -0.60 -0.69 0.00 0.00 174.62 175.42 1og1 s ARG 131 N 0.22 4.34 -0.13 4.92 6.06 -0.91 -3.66 118.95 129.79 1og1 s ARG 131 Ca -0.07 2.16 -0.03 0.00 -2.50 0.00 0.00 55.73 55.29 1og1 s ARG 131 Cb -0.15 -3.15 -0.03 0.00 0.06 0.00 0.00 34.95 31.68 1og1 s ARG 131 CO 0.05 -0.32 -0.02 -0.06 -2.50 0.00 0.00 175.30 172.45 1og1 s PHE 132 N -0.00 3.07 -0.19 5.12 0.40 -1.26 -0.69 117.98 124.43 1og1 s PHE 132 Ca 0.57 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1og1 s PHE 132 Cb -0.39 -1.89 -0.00 0.00 0.51 0.00 0.00 43.02 41.25 1og1 s PHE 132 CO 0.41 0.17 -0.10 -1.01 0.70 0.00 0.00 175.22 175.39 1og1 s HIS 133 N -0.14 2.88 -0.15 0.36 3.76 0.59 -4.91 115.29 117.68 1og1 s HIS 133 Ca 0.03 -1.06 -0.29 0.00 -0.15 0.00 0.00 55.06 53.59 1og1 s HIS 133 Cb -0.13 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 1og1 s HIS 133 CO 0.02 -0.55 1.27 -0.47 -0.85 0.00 0.00 174.74 174.16 1og1 s TYR 134 N 1.22 2.85 -0.39 1.40 5.04 -1.26 -0.18 117.35 126.04 1og1 s TYR 134 Ca 0.02 1.00 0.05 0.00 -2.44 0.00 0.00 57.07 55.70 1og1 s TYR 134 Cb -0.14 -3.51 0.42 0.00 0.35 0.00 0.00 41.96 39.08 1og1 s TYR 134 CO -0.04 -1.73 1.40 0.25 -1.34 0.00 0.00 175.55 174.10 1og1 n THR 135 N 5.31 1.99 -2.21 4.34 -2.24 -0.89 -4.91 114.28 115.67 1og1 n THR 135 Ca 0.14 -0.98 -0.20 0.00 -2.27 0.00 0.00 64.05 60.74 1og1 n THR 135 Cb 0.45 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1og1 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og1 n GLY 136 N -0.11 0.04 0.29 3.38 0.00 -1.26 -4.91 105.19 102.63 1og1 n GLY 136 Ca 0.27 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.42 1og1 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og1 h ALA 137 N 0.75 1.09 0.00 4.61 0.00 -1.91 -3.45 119.26 120.34 1og1 h ALA 137 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1og1 h ALA 137 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1og1 h ALA 137 CO 0.57 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1og1 n GLY 138 N -0.52 1.56 3.70 0.00 0.00 -1.26 -5.05 105.19 103.62 1og1 n GLY 138 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1og1 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1og1 s SER 139 N -0.99 0.17 0.00 1.61 1.04 -1.26 -4.76 113.70 109.51 1og1 s SER 139 Ca 0.00 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 1og1 s SER 139 Cb 0.00 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 1og1 s SER 139 CO 0.00 -1.44 0.02 -0.69 0.98 0.00 0.00 173.24 172.11 1og1 s VAL 140 N -3.07 0.04 0.03 5.02 1.01 -0.87 -4.16 120.40 118.41 1og1 s VAL 140 Ca 0.20 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1og1 s VAL 140 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1og1 s VAL 140 CO 0.12 -0.20 -0.07 -0.13 0.00 0.00 0.00 175.10 174.82 1og1 s ARG 141 N -0.61 0.53 0.27 2.72 0.52 -0.36 -0.54 118.95 121.48 1og1 s ARG 141 Ca -0.07 -0.58 0.14 0.00 -0.52 0.00 0.00 55.73 54.70 1og1 s ARG 141 Cb -0.04 -0.38 0.17 0.00 0.52 0.00 0.00 34.95 35.22 1og1 s ARG 141 CO -0.00 0.08 1.49 0.74 0.02 0.00 0.00 175.30 177.63 1og1 h PHE 142 N 5.00 0.00 0.00 -0.53 0.04 -1.75 -3.37 116.94 116.34 1og1 h PHE 142 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1og1 h PHE 142 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1og1 h PHE 142 CO 0.56 0.57 0.00 0.41 -0.60 0.00 0.00 178.31 179.25 1og1 n GLY 143 N 0.97 1.94 3.93 -1.45 0.00 -0.32 -4.90 105.19 105.36 1og1 n GLY 143 Ca 0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1og1 n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1og1 s GLN 144 N 0.00 3.26 0.33 1.61 -2.07 -1.26 -4.17 119.66 117.35 1og1 s GLN 144 Ca 0.00 -0.10 -0.29 0.00 -1.82 0.00 0.00 55.36 53.15 1og1 s GLN 144 Cb 0.00 -2.44 -0.11 0.00 -1.09 0.00 0.00 33.01 29.38 1og1 s GLN 144 CO 0.00 -0.30 1.45 -0.06 -1.32 0.00 0.00 175.29 175.06 1og1 s PHE 145 N -2.70 2.81 -0.13 9.60 0.40 -1.26 -3.48 117.98 123.23 1og1 s PHE 145 Ca 0.48 1.15 -0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1og1 s PHE 145 Cb -0.10 -3.90 0.03 0.00 0.51 0.00 0.00 43.02 39.55 1og1 s PHE 145 CO 0.42 -2.72 -0.09 0.99 0.70 0.00 0.00 175.22 174.52 1og1 s THR 146 N -0.77 1.18 0.31 0.64 2.01 -0.21 -4.92 115.64 113.87 1og1 s THR 146 Ca 0.54 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 1og1 s THR 146 Cb -0.44 -1.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.79 1og1 s THR 146 CO 0.55 0.37 0.88 -0.44 -0.69 0.00 0.00 174.62 175.28 1og1 s SER 147 N 1.64 7.19 0.31 3.53 0.01 -1.26 -0.44 113.70 124.69 1og1 s SER 147 Ca 0.05 1.68 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 1og1 s SER 147 Cb -0.13 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1og1 s SER 147 CO -0.09 -0.08 0.52 -0.94 0.41 0.00 0.00 173.24 173.06 1og1 s SER 148 N -1.72 0.37 0.05 2.44 1.04 -0.58 -4.80 113.70 110.50 1og1 s SER 148 Ca 0.50 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.75 1og1 s SER 148 Cb -0.17 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1og1 s SER 148 CO 0.21 -1.29 -0.11 -0.55 0.98 0.00 0.00 173.24 172.48 1og1 s SER 149 N -3.13 1.22 0.53 7.02 0.15 0.15 -1.33 113.70 118.32 1og1 s SER 149 Ca 0.25 -0.54 0.31 0.00 0.70 0.00 0.00 55.95 56.67 1og1 s SER 149 Cb -0.01 -0.01 1.44 0.00 -1.71 0.00 0.00 66.02 65.72 1og1 s SER 149 CO 0.14 -0.12 2.03 -0.07 1.20 0.00 0.00 173.24 176.43 1og1 h LEU 150 N 4.54 0.00 -9.00 3.45 3.38 -1.61 0.65 115.31 116.72 1og1 h LEU 150 Ca -0.37 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.97 1og1 h LEU 150 Cb 1.20 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.79 1og1 h LEU 150 CO 0.41 0.09 -0.51 -0.55 0.09 0.00 0.00 178.44 177.98 1og1 s SER 151 N -5.90 6.07 0.39 -0.43 0.15 -1.26 -4.78 113.70 107.94 1og1 s SER 151 Ca -0.01 0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.81 1og1 s SER 151 Cb 0.11 -2.11 0.81 0.00 -1.71 0.00 0.00 66.02 63.12 1og1 s SER 151 CO 0.56 0.01 1.90 0.50 1.20 0.00 0.00 173.24 177.41 1og1 h LYS 152 N 7.92 0.12 0.11 5.44 3.64 -1.93 -2.25 116.57 129.62 1og1 h LYS 152 Ca -0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1og1 h LYS 152 Cb 1.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1og1 h LYS 152 CO 0.61 0.34 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.82 1og1 h LYS 153 N 0.11 -0.20 -0.19 1.90 1.63 -1.97 -0.71 116.57 117.14 1og1 h LYS 153 Ca 0.02 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1og1 h LYS 153 Cb 0.46 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1og1 h LYS 153 CO 0.03 -0.13 0.07 0.28 -3.45 0.00 0.00 179.45 176.25 1og1 h VAL 154 N -0.20 0.96 -0.14 2.00 2.07 -1.88 -1.49 116.25 117.57 1og1 h VAL 154 Ca -0.00 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1og1 h VAL 154 Cb 0.18 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1og1 h VAL 154 CO -0.01 0.03 0.10 0.00 0.02 0.00 0.00 177.57 177.71 1og1 h ALA 155 N 1.11 1.93 -0.02 1.67 0.00 -1.09 -2.03 119.26 120.84 1og1 h ALA 155 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1og1 h ALA 155 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1og1 h ALA 155 CO -0.08 0.06 -0.13 1.04 0.00 0.00 0.00 179.25 180.14 1og1 n GLN 156 N -4.52 1.55 -1.78 0.00 6.02 -0.30 -3.38 117.38 114.98 1og1 n GLN 156 Ca -0.01 -1.07 -0.35 0.00 -0.01 0.00 0.00 57.00 55.56 1og1 n GLN 156 Cb 0.10 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 29.94 1og1 n GLN 156 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1og1 s SER 157 N -2.19 4.85 0.34 1.08 1.04 -0.60 -4.60 113.70 113.63 1og1 s SER 157 Ca 0.30 2.30 0.22 0.00 0.48 0.00 0.00 55.95 59.25 1og1 s SER 157 Cb 0.20 -2.59 1.20 0.00 0.10 0.00 0.00 66.02 64.94 1og1 s SER 157 CO 0.41 -1.82 1.67 1.56 0.98 0.00 0.00 173.24 176.04 1og1 h GLN 158 N 0.34 0.00 -0.27 4.02 1.08 -1.89 0.28 115.11 118.66 1og1 h GLN 158 Ca -0.49 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 56.62 1og1 h GLN 158 Cb 1.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1og1 h GLN 158 CO 0.53 0.00 -0.23 0.93 -0.95 0.00 0.00 178.83 179.11 1og1 h GLU 159 N 0.00 0.52 0.00 1.46 4.39 -1.89 -3.37 114.58 115.68 1og1 h GLU 159 Ca 0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1og1 h GLU 159 Cb 0.07 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1og1 h GLU 159 CO 0.00 0.72 -1.11 1.19 -1.16 0.00 0.00 179.01 178.65 1og1 n PHE 160 N -4.13 0.00 -4.29 4.33 3.72 -0.07 -5.06 117.46 111.96 1og1 n PHE 160 Ca -0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1og1 n PHE 160 Cb 0.40 -0.06 -0.12 0.00 -0.94 0.00 0.00 39.48 38.76 1og1 n PHE 160 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1og1 s PHE 161 N -2.14 1.70 0.17 1.38 2.19 -0.29 -2.33 117.98 118.65 1og1 s PHE 161 Ca -0.01 -0.48 -0.18 0.00 0.33 0.00 0.00 56.93 56.60 1og1 s PHE 161 Cb 0.01 -0.88 0.04 0.00 -1.31 0.00 0.00 43.02 40.88 1og1 s PHE 161 CO 0.09 0.25 0.50 -1.54 1.83 0.00 0.00 175.22 176.35 1og1 s SER 162 N -2.40 -0.31 0.62 6.13 1.04 -1.22 -4.31 113.70 113.25 1og1 s SER 162 Ca 0.11 -0.34 0.36 0.00 0.48 0.00 0.00 55.95 56.55 1og1 s SER 162 Cb -0.07 0.55 2.06 0.00 0.10 0.00 0.00 66.02 68.67 1og1 s SER 162 CO 0.05 -0.98 2.30 0.44 0.98 0.00 0.00 173.24 176.03 1og1 h ASP 163 N 2.21 0.00 0.66 7.02 3.32 -1.94 0.67 116.42 128.36 1og1 h ASP 163 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1og1 h ASP 163 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1og1 h ASP 163 CO 0.40 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 179.33 1og1 n HIS 164 N -3.54 0.00 -1.49 4.55 8.25 -1.26 -4.85 115.22 116.87 1og1 n HIS 164 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1og1 n HIS 164 Cb 0.08 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1og1 n HIS 164 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1og1 n GLY 165 N 1.33 3.02 3.04 -1.41 0.00 0.23 -2.15 105.19 109.25 1og1 n GLY 165 Ca 0.13 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1og1 n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1og1 s THR 166 N 2.51 0.48 -0.22 2.61 2.01 -1.12 -4.56 115.64 117.35 1og1 s THR 166 Ca 0.00 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1og1 s THR 166 Cb 0.00 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1og1 s THR 166 CO 0.00 -0.33 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.33 1og1 s LEU 167 N -1.37 2.88 -0.07 4.42 2.96 0.11 -0.93 118.68 126.68 1og1 s LEU 167 Ca -0.09 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1og1 s LEU 167 Cb -0.09 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1og1 s LEU 167 CO 0.00 -0.03 0.37 -0.36 -1.32 0.00 0.00 176.35 175.01 1og1 s PHE 168 N 1.46 3.62 -0.29 5.38 0.40 0.11 -1.59 117.98 127.08 1og1 s PHE 168 Ca 0.05 0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1og1 s PHE 168 Cb -0.14 -2.32 0.05 0.00 0.51 0.00 0.00 43.02 41.12 1og1 s PHE 168 CO -0.04 0.48 -0.02 0.42 0.70 0.00 0.00 175.22 176.76 1og1 s ILE 169 N -0.44 2.89 -0.03 0.64 1.01 0.55 -1.54 121.20 124.29 1og1 s ILE 169 Ca 0.22 -1.35 0.07 0.00 0.00 0.00 0.00 60.65 59.59 1og1 s ILE 169 Cb -0.15 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1og1 s ILE 169 CO 0.10 -0.05 -0.25 -0.63 0.00 0.00 0.00 174.94 174.11 1og1 s ILE 170 N 1.25 2.01 -0.28 2.92 1.01 -0.11 -0.90 121.20 127.09 1og1 s ILE 170 Ca -0.05 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 1og1 s ILE 170 Cb -0.19 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 1og1 s ILE 170 CO -0.02 0.56 0.08 -0.75 0.00 0.00 0.00 174.94 174.81 1og1 s LYS 171 N -0.43 3.29 0.06 2.79 2.20 -0.63 0.30 119.74 127.34 1og1 s LYS 171 Ca 0.05 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 55.03 1og1 s LYS 171 Cb -0.11 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1og1 s LYS 171 CO 0.01 -0.35 -0.25 -0.08 -0.36 0.00 0.00 175.35 174.31 1og1 s THR 172 N 1.54 2.07 0.00 3.43 -1.32 0.02 -4.34 115.64 117.05 1og1 s THR 172 Ca 0.04 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1og1 s THR 172 Cb -0.16 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1og1 s THR 172 CO 0.03 0.27 0.43 0.00 -2.21 0.00 0.00 174.62 173.14 1og1 n LEU 174 N -0.00 0.30 -4.76 0.00 4.77 -1.26 -4.56 117.00 111.49 1og1 n LEU 174 Ca 0.00 -0.45 -0.38 0.00 -0.03 0.00 0.00 56.01 55.15 1og1 n LEU 174 Cb 0.04 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1og1 n LEU 174 CO 0.00 0.08 0.94 -0.83 -1.33 0.00 0.00 177.39 176.25 1og1 s GLY 175 N -1.78 2.86 -0.09 -0.72 0.00 -1.26 -4.58 107.32 101.75 1og1 s GLY 175 Ca 0.02 1.22 0.04 0.00 0.00 0.00 0.00 44.72 46.00 1og1 s GLY 175 CO 0.29 1.73 -0.23 0.14 0.00 0.00 0.00 173.10 175.02 1og1 s VAL 176 N -1.37 2.16 -0.36 1.40 1.01 -0.33 -4.89 120.40 118.02 1og1 s VAL 176 Ca 0.69 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1og1 s VAL 176 Cb -0.37 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1og1 s VAL 176 CO 0.44 0.56 1.33 -0.47 0.00 0.00 0.00 175.10 176.97 1og1 s TYR 177 N 0.14 2.58 -0.22 5.22 5.04 -1.26 -0.67 117.35 128.18 1og1 s TYR 177 Ca -0.12 0.77 0.13 0.00 -2.44 0.00 0.00 57.07 55.42 1og1 s TYR 177 Cb -0.16 -4.12 0.46 0.00 0.35 0.00 0.00 41.96 38.48 1og1 s TYR 177 CO 0.07 -1.78 1.35 0.44 -1.34 0.00 0.00 175.55 174.28 1og1 n ILE 178 N 6.62 2.30 -0.23 3.14 -5.35 -0.51 -4.76 119.36 120.57 1og1 n ILE 178 Ca 0.15 -2.51 0.02 0.00 -0.27 0.00 0.00 62.75 60.14 1og1 n ILE 178 Cb 0.47 -0.28 0.11 0.00 -1.74 0.00 0.00 39.64 38.21 1og1 n ILE 178 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1og1 h LYS 179 N 1.00 0.07 -0.42 6.28 3.64 -1.88 0.17 116.57 125.44 1og1 h LYS 179 Ca 0.08 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1og1 h LYS 179 Cb 1.37 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1og1 h LYS 179 CO 0.21 0.05 0.35 0.93 -2.27 0.00 0.00 179.45 178.71 1og1 h GLU 180 N 0.07 0.00 0.00 1.90 4.39 -1.92 -2.59 114.58 116.44 1og1 h GLU 180 Ca 0.36 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 1og1 h GLU 180 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1og1 h GLU 180 CO -0.63 0.00 -1.41 1.19 -1.16 0.00 0.00 179.01 177.00 1og1 n PHE 181 N -4.11 0.67 -2.44 4.33 3.72 0.57 -5.00 117.46 115.20 1og1 n PHE 181 Ca 0.07 0.20 -0.39 0.00 -0.05 0.00 0.00 57.45 57.29 1og1 n PHE 181 Cb 0.54 -0.86 -0.04 0.00 -0.94 0.00 0.00 39.48 38.18 1og1 n PHE 181 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1og1 s SER 182 N -5.21 6.94 0.00 4.37 0.15 -0.98 -4.56 113.70 114.41 1og1 s SER 182 Ca -0.03 2.24 0.02 0.00 0.70 0.00 0.00 55.95 58.88 1og1 s SER 182 Cb 0.10 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.92 1og1 s SER 182 CO 0.83 -0.38 0.90 0.49 1.20 0.00 0.00 173.24 176.28 1og1 n PHE 183 N 0.57 0.00 0.00 3.44 3.01 -1.26 -3.82 117.46 119.40 1og1 n PHE 183 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1og1 n PHE 183 Cb 0.46 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1og1 n PHE 183 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1og1 n ARG 184 N -1.30 0.00 -0.33 -1.08 5.12 -1.26 -5.01 116.66 112.79 1og1 n ARG 184 Ca 0.01 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.00 1og1 n ARG 184 Cb 0.02 -0.06 0.22 0.00 -1.16 0.00 0.00 32.46 31.48 1og1 n ARG 184 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1og1 n PRO 185 N 0.00 3.01 0.00 5.56 -0.04 -1.25 -4.96 135.00 137.33 1og1 n PRO 185 Ca 0.00 -2.46 0.04 0.00 -0.04 0.00 0.00 63.50 61.04 1og1 n PRO 185 Cb 0.00 -1.56 0.22 0.00 -0.04 0.00 0.00 33.50 32.11 1og1 n PRO 185 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1og1 n ASP 186 N 0.24 0.00 0.00 3.54 5.75 -1.26 -1.91 116.55 122.91 1og1 n ASP 186 Ca 0.17 -0.12 0.11 0.00 -0.01 0.00 0.00 54.79 54.95 1og1 n ASP 186 Cb 0.66 -0.08 0.63 0.00 -1.03 0.00 0.00 41.12 41.30 1og1 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1og1 n GLN 187 N -1.08 0.53 -4.25 0.11 6.02 -1.26 -4.87 117.38 112.58 1og1 n GLN 187 Ca 0.05 0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.73 1og1 n GLN 187 Cb 0.04 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.75 1og1 n GLN 187 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1og1 n GLU 188 N -1.14 -2.52 -2.20 -1.09 -0.58 -0.80 -4.57 120.64 107.73 1og1 n GLU 188 Ca 0.14 0.31 -0.41 0.00 -0.42 0.00 0.00 57.16 56.78 1og1 n GLU 188 Cb 0.13 -4.77 -0.03 0.00 -0.57 0.00 0.00 31.44 26.20 1og1 n GLU 188 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1og1 s GLU 189 N -6.97 4.40 -0.18 3.49 2.12 -1.26 -1.86 118.70 118.45 1og1 s GLU 189 Ca 0.55 2.11 0.01 0.00 0.36 0.00 0.00 54.97 58.00 1og1 s GLU 189 Cb -0.31 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 30.97 1og1 s GLU 189 CO 0.95 -0.17 -0.19 0.08 -0.54 0.00 0.00 175.26 175.39 1og1 s VAL 190 N -0.64 2.03 -0.24 3.70 1.01 -0.44 -1.42 120.40 124.40 1og1 s VAL 190 Ca 0.52 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 1og1 s VAL 190 Cb -0.38 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1og1 s VAL 190 CO 0.45 0.52 0.32 -0.22 0.00 0.00 0.00 175.10 176.18 1og1 s LEU 191 N 1.30 4.10 -0.17 3.92 2.96 0.16 -1.53 118.68 129.42 1og1 s LEU 191 Ca 0.05 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.21 1og1 s LEU 191 Cb -0.13 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1og1 s LEU 191 CO -0.13 -0.07 0.05 -0.63 -1.32 0.00 0.00 176.35 174.25 1og1 s ILE 192 N 1.50 4.68 0.60 6.68 1.01 0.42 -1.18 121.20 134.91 1og1 s ILE 192 Ca 0.14 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 1og1 s ILE 192 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1og1 s ILE 192 CO 0.08 0.47 1.16 -2.16 0.00 0.00 0.00 174.94 174.50 1og1 s PRO 193 N 0.29 2.97 0.00 2.79 0.04 -1.26 -1.05 135.00 138.78 1og1 s PRO 193 Ca 0.03 1.67 0.20 0.00 0.04 0.00 0.00 61.00 62.94 1og1 s PRO 193 Cb -0.12 -1.95 0.95 0.00 0.04 0.00 0.00 34.50 33.42 1og1 s PRO 193 CO 0.01 -1.17 1.65 0.41 0.04 0.00 0.00 177.00 177.94 1og1 n GLY 194 N 0.20 -1.08 1.12 0.56 0.00 -1.23 -2.97 105.19 101.78 1og1 n GLY 194 Ca 0.12 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1og1 n GLY 194 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1og1 n TYR 195 N -1.40 0.51 -2.59 1.61 0.18 -1.26 -1.17 117.16 113.04 1og1 n TYR 195 Ca 0.07 -0.26 -0.41 0.00 1.88 0.00 0.00 57.90 59.19 1og1 n TYR 195 Cb 0.20 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.11 1og1 n TYR 195 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1og1 s GLU 196 N -1.49 4.68 -0.13 -3.48 2.12 -1.16 -4.37 118.70 114.87 1og1 s GLU 196 Ca 0.39 1.65 -0.03 0.00 0.36 0.00 0.00 54.97 57.34 1og1 s GLU 196 Cb 0.22 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 1og1 s GLU 196 CO 0.31 0.23 -0.03 0.08 -0.54 0.00 0.00 175.26 175.31 1og1 s VAL 197 N -0.65 4.00 -0.36 3.70 1.01 -0.57 -4.32 120.40 123.21 1og1 s VAL 197 Ca 0.46 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1og1 s VAL 197 Cb -0.28 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1og1 s VAL 197 CO 0.35 0.53 0.18 -0.31 0.00 0.00 0.00 175.10 175.86 1og1 s TYR 198 N -0.09 3.24 -0.71 5.22 2.02 0.30 -0.53 117.35 126.80 1og1 s TYR 198 Ca 0.02 -1.00 0.26 0.00 -0.37 0.00 0.00 57.07 55.98 1og1 s TYR 198 Cb -0.13 -2.40 0.85 0.00 -0.40 0.00 0.00 41.96 39.88 1og1 s TYR 198 CO 0.02 -0.64 1.77 1.04 -1.57 0.00 0.00 175.55 176.17 1og1 n GLN 199 N 4.97 0.24 -4.20 -0.62 6.02 -0.61 -2.04 117.38 121.13 1og1 n GLN 199 Ca -0.12 0.24 -0.33 0.00 -0.01 0.00 0.00 57.00 56.78 1og1 n GLN 199 Cb 0.46 -1.80 -0.16 0.00 1.02 0.00 0.00 30.24 29.76 1og1 n GLN 199 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1og1 s LYS 200 N -3.13 3.00 -0.12 -1.09 2.20 -0.71 -4.79 119.74 115.11 1og1 s LYS 200 Ca 0.10 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1og1 s LYS 200 Cb 0.12 -2.55 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1og1 s LYS 200 CO 0.56 -0.18 -0.13 0.08 -0.36 0.00 0.00 175.35 175.33 1og1 s VAL 201 N 1.22 1.35 -0.05 4.02 1.01 -1.26 -0.58 120.40 126.11 1og1 s VAL 201 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1og1 s VAL 201 Cb -0.13 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1og1 s VAL 201 CO -0.11 0.42 0.03 -0.60 0.00 0.00 0.00 175.10 174.83 1og1 s ARG 202 N 1.28 0.22 -0.05 2.72 3.52 -0.07 -5.00 118.95 121.58 1og1 s ARG 202 Ca -0.01 0.22 -0.15 0.00 -0.13 0.00 0.00 55.73 55.66 1og1 s ARG 202 Cb -0.14 -0.64 -0.05 0.00 -1.56 0.00 0.00 34.95 32.56 1og1 s ARG 202 CO -0.05 -0.27 0.40 0.99 -0.81 0.00 0.00 175.30 175.56 1og1 s THR 203 N 1.81 5.11 -0.10 4.11 2.01 -1.26 0.06 115.64 127.38 1og1 s THR 203 Ca 0.01 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 1og1 s THR 203 Cb -0.12 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1og1 s THR 203 CO -0.03 0.50 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.77 1og1 s GLN 204 N -0.53 1.25 1.85 4.92 0.74 -0.01 -4.99 119.66 122.89 1og1 s GLN 204 Ca 0.23 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.49 1og1 s GLN 204 Cb -0.16 -1.38 0.00 0.00 1.10 0.00 0.00 33.01 32.57 1og1 s GLN 204 CO 0.11 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 1og1 n GLY 205 N 4.93 -1.06 0.22 2.59 0.00 -1.26 -2.35 105.19 108.25 1og1 n GLY 205 Ca -0.12 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1og1 n GLY 205 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1og1 h TYR 206 N 0.00 0.00 0.00 1.61 -1.99 -1.99 -3.39 116.97 111.21 1og1 h TYR 206 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1og1 h TYR 206 Cb 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 38.52 1og1 h TYR 206 CO 0.00 0.02 -0.77 0.27 -0.00 0.00 0.00 178.16 177.68 1og1 n ASN 207 N -3.11 0.83 -4.18 3.88 0.23 -1.25 -4.93 115.26 106.72 1og1 n ASN 207 Ca 0.04 -2.24 -0.29 0.00 -0.53 0.00 0.00 54.58 51.56 1og1 n ASN 207 Cb 0.52 -0.30 -0.16 0.00 -2.08 0.00 0.00 39.78 37.76 1og1 n ASN 207 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1og1 s GLU 208 N -0.46 2.22 -0.07 -3.83 2.02 -0.99 0.07 118.70 117.66 1og1 s GLU 208 Ca 0.24 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1og1 s GLU 208 Cb 0.26 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.66 1og1 s GLU 208 CO -0.10 0.26 -0.06 0.42 0.02 0.00 0.00 175.26 175.81 1og1 s ILE 209 N 0.06 0.76 -0.22 -1.63 1.01 -0.62 -0.83 121.20 119.73 1og1 s ILE 209 Ca -0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 1og1 s ILE 209 Cb -0.14 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1og1 s ILE 209 CO 0.04 0.30 0.11 -0.36 0.00 0.00 0.00 174.94 175.02 1og1 s PHE 210 N 1.28 3.25 -0.20 3.97 0.40 0.11 -0.33 117.98 126.47 1og1 s PHE 210 Ca -0.04 0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1og1 s PHE 210 Cb -0.14 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.24 1og1 s PHE 210 CO -0.02 0.04 -0.15 -0.51 0.70 0.00 0.00 175.22 175.28 1og1 s LEU 211 N 0.87 2.49 0.00 -0.37 1.43 -0.08 -0.89 118.68 122.12 1og1 s LEU 211 Ca 0.05 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 1og1 s LEU 211 Cb -0.13 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1og1 s LEU 211 CO 0.03 -0.09 0.11 0.47 0.23 0.00 0.00 176.35 177.10 1og1 n ASP 212 N 4.60 1.24 -3.66 2.29 8.00 0.25 -1.60 116.55 127.68 1og1 n ASP 212 Ca -0.17 -2.76 -0.26 0.00 0.71 0.00 0.00 54.79 52.31 1og1 n ASP 212 Cb 0.47 0.82 0.04 0.00 -0.02 0.00 0.00 41.12 42.42 1og1 n ASP 212 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1og1 n SER 213 N -1.61 -3.79 -4.76 -2.24 7.64 -1.26 -1.73 113.62 105.86 1og1 n SER 213 Ca -0.05 -0.92 -0.35 0.00 1.01 0.00 0.00 58.87 58.56 1og1 n SER 213 Cb 0.50 -3.79 0.03 0.00 -1.01 0.00 0.00 64.21 59.94 1og1 n SER 213 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1og1 s PRO 214 N -5.82 3.05 -0.06 1.43 0.04 -1.26 -1.58 135.00 130.81 1og1 s PRO 214 Ca 0.29 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 1og1 s PRO 214 Cb -0.09 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1og1 s PRO 214 CO 0.83 -1.10 0.48 0.21 0.04 0.00 0.00 177.00 177.46 1og1 s LYS 215 N -3.52 0.80 -0.08 4.56 2.20 0.31 -4.92 119.74 119.08 1og1 s LYS 215 Ca 0.73 0.12 -0.13 0.00 -0.36 0.00 0.00 55.97 56.32 1og1 s LYS 215 Cb -0.25 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.39 1og1 s LYS 215 CO 0.33 -0.22 0.33 0.50 -0.36 0.00 0.00 175.35 175.93 1og1 s ARG 216 N -1.02 3.99 0.13 4.03 3.52 -1.26 -1.52 118.95 126.82 1og1 s ARG 216 Ca -0.10 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 1og1 s ARG 216 Cb -0.03 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1og1 s ARG 216 CO 0.06 0.51 -0.03 0.15 -0.81 0.00 0.00 175.30 175.17 1og1 s LYS 217 N -0.41 0.96 0.69 5.12 1.02 -1.26 -4.99 119.74 120.86 1og1 s LYS 217 Ca 0.20 -1.42 -0.16 0.00 0.02 0.00 0.00 55.97 54.60 1og1 s LYS 217 Cb -0.15 -0.23 0.01 0.00 -0.52 0.00 0.00 37.83 36.95 1og1 s LYS 217 CO 0.08 -0.07 1.24 0.15 -0.92 0.00 0.00 175.35 175.83 1og1 s LYS 218 N -3.87 2.36 0.40 1.68 1.02 -1.26 -4.97 119.74 115.10 1og1 s LYS 218 Ca 0.17 1.88 0.03 0.00 0.02 0.00 0.00 55.97 58.08 1og1 s LYS 218 Cb 0.06 -1.85 -0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1og1 s LYS 218 CO -0.01 -1.69 0.58 -1.12 -0.92 0.00 0.00 175.35 172.19 1og1 s SER 219 N -1.74 5.87 0.20 2.83 0.01 -1.26 -5.01 113.70 114.59 1og1 s SER 219 Ca 0.78 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 58.10 1og1 s SER 219 Cb -0.32 -1.37 0.13 0.00 0.21 0.00 0.00 66.02 64.66 1og1 s SER 219 CO 0.42 -0.60 1.49 0.78 0.41 0.00 0.00 173.24 175.74 1og1 h ASN 220 N 0.61 0.47 -3.20 2.44 -0.26 -1.91 -3.44 115.58 110.29 1og1 h ASN 220 Ca -0.46 -0.28 -0.65 0.00 -0.56 0.00 0.00 56.30 54.36 1og1 h ASN 220 Cb 1.26 -0.14 -0.10 0.00 -1.06 0.00 0.00 38.32 38.28 1og1 h ASN 220 CO 0.55 0.98 -0.61 -0.31 -1.06 0.00 0.00 177.43 176.99 1og1 s TYR 221 N -3.77 3.18 -0.18 1.19 2.02 -1.26 -5.08 117.35 113.45 1og1 s TYR 221 Ca -0.06 0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1og1 s TYR 221 Cb 0.11 -1.64 0.08 0.00 -0.40 0.00 0.00 41.96 40.11 1og1 s TYR 221 CO 0.83 0.52 0.39 1.21 -1.57 0.00 0.00 175.55 176.93 1og1 s ASN 222 N -2.15 -0.23 -1.46 2.29 2.47 -1.26 -4.06 114.94 110.54 1og1 s ASN 222 Ca 0.27 0.91 -0.12 0.00 0.42 0.00 0.00 52.86 54.34 1og1 s ASN 222 Cb -0.12 1.13 0.08 0.00 -1.45 0.00 0.00 41.25 40.89 1og1 s ASN 222 CO 0.19 -0.22 0.73 0.00 -3.72 0.00 0.00 177.10 174.07 1og1 h LEU 224 N -1.50 -0.52 -2.46 0.00 5.85 -2.01 -2.29 115.31 112.38 1og1 h LEU 224 Ca -0.52 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1og1 h LEU 224 Cb 1.34 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1og1 h LEU 224 CO 0.62 -0.20 0.00 -1.22 -0.34 0.00 0.00 178.44 177.30 1og1 n TYR 225 N -5.32 1.18 1.96 1.25 4.01 -1.26 -5.26 117.16 113.71 1og1 n TYR 225 Ca -0.01 -0.45 0.16 0.00 -0.16 0.00 0.00 57.90 57.44 1og1 n TYR 225 Cb 0.24 -0.25 0.93 0.00 -0.31 0.00 0.00 39.34 39.95 1og1 n TYR 225 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27