#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og3 s LEU 5 N 0.00 2.37 0.28 1.53 1.43 0.11 -4.95 118.68 119.45 1og3 s LEU 5 Ca 0.00 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.11 1og3 s LEU 5 Cb 0.00 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 1og3 s LEU 5 CO 0.00 0.14 0.76 -0.04 0.23 0.00 0.00 176.35 177.45 1og3 s MET 6 N -2.33 4.20 -0.25 1.70 -1.94 -1.26 0.61 119.30 120.03 1og3 s MET 6 Ca 0.16 0.86 0.02 0.00 -1.71 0.00 0.00 55.69 55.03 1og3 s MET 6 Cb -0.09 -2.68 0.05 0.00 2.01 0.00 0.00 34.83 34.12 1og3 s MET 6 CO 0.07 0.28 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.08 1og3 s LEU 7 N -2.39 3.29 0.00 -0.03 0.20 0.21 -4.80 118.68 115.15 1og3 s LEU 7 Ca 0.49 -1.25 0.00 0.00 0.69 0.00 0.00 54.13 54.05 1og3 s LEU 7 Cb -0.14 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.06 1og3 s LEU 7 CO 0.20 -0.17 0.00 -0.90 -0.29 0.00 0.00 176.35 175.19 1og3 n ASP 8 N 4.49 0.00 -0.34 3.68 5.68 -1.26 -1.96 116.55 126.83 1og3 n ASP 8 Ca -0.15 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.16 1og3 n ASP 8 Cb 0.44 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.49 1og3 n ASP 8 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1og3 n THR 9 N 0.00 0.25 -3.88 2.12 -2.24 -1.26 -1.64 114.28 107.63 1og3 n THR 9 Ca 0.00 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 1og3 n THR 9 Cb 0.00 0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1og3 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1og3 n ALA 10 N -0.02 -2.67 0.30 6.98 0.00 -1.26 -4.59 120.51 119.25 1og3 n ALA 10 Ca 0.05 -0.40 0.19 0.00 0.00 0.00 0.00 53.44 53.27 1og3 n ALA 10 Cb 0.17 -2.19 0.86 0.00 0.00 0.00 0.00 19.45 18.29 1og3 n ALA 10 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1og3 h PRO 11 N -1.62 0.00 -0.02 0.00 0.13 -1.95 -3.14 132.00 125.40 1og3 h PRO 11 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1og3 h PRO 11 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1og3 h PRO 11 CO 0.45 0.00 -0.11 0.09 -0.23 0.00 0.00 178.00 178.20 1og3 n ASN 12 N -2.96 2.27 -4.75 1.44 3.02 -1.26 -5.00 115.26 108.02 1og3 n ASN 12 Ca -0.01 -1.63 -0.40 0.00 -0.03 0.00 0.00 54.58 52.51 1og3 n ASN 12 Cb 0.20 0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.47 1og3 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1og3 s ALA 13 N -1.67 3.36 -0.39 5.41 0.00 -1.19 -2.00 121.76 125.28 1og3 s ALA 13 Ca 0.19 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 1og3 s ALA 13 Cb 0.15 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1og3 s ALA 13 CO 0.29 -0.04 1.64 0.12 0.00 0.00 0.00 175.76 177.77 1og3 s PHE 14 N -0.76 2.05 -0.17 0.00 5.36 -0.57 -4.83 117.98 119.05 1og3 s PHE 14 Ca 0.45 0.64 0.16 0.00 -0.96 0.00 0.00 56.93 57.22 1og3 s PHE 14 Cb -0.28 -4.21 0.39 0.00 -0.34 0.00 0.00 43.02 38.57 1og3 s PHE 14 CO 0.35 -2.51 1.25 -0.40 -1.46 0.00 0.00 175.22 172.46 1og3 n ASP 15 N 9.82 2.61 -4.64 6.13 5.68 -1.26 -4.89 116.55 130.00 1og3 n ASP 15 Ca 0.20 -3.28 -0.57 0.00 -0.50 0.00 0.00 54.79 50.64 1og3 n ASP 15 Cb 0.48 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 39.89 1og3 n ASP 15 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1og3 n ASP 16 N -1.15 1.61 -0.17 -1.12 -0.08 -1.25 -4.81 116.55 109.56 1og3 n ASP 16 Ca 0.19 1.12 0.09 0.00 -1.51 0.00 0.00 54.79 54.68 1og3 n ASP 16 Cb 0.75 -1.10 -0.07 0.00 2.34 0.00 0.00 41.12 43.05 1og3 n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1og3 n GLN 17 N 3.55 1.08 -3.49 -0.67 6.02 -1.26 -5.01 117.38 117.60 1og3 n GLN 17 Ca 0.23 -0.36 -0.18 0.00 -0.01 0.00 0.00 57.00 56.67 1og3 n GLN 17 Cb 0.12 -1.38 0.08 0.00 1.02 0.00 0.00 30.24 30.08 1og3 n GLN 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1og3 n TYR 18 N -0.89 -2.20 -2.68 1.08 4.01 -1.26 -4.95 117.16 110.27 1og3 n TYR 18 Ca 0.05 0.93 -0.43 0.00 -0.16 0.00 0.00 57.90 58.29 1og3 n TYR 18 Cb 0.34 -4.96 -0.02 0.00 -0.31 0.00 0.00 39.34 34.38 1og3 n TYR 18 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1og3 s GLU 19 N -5.54 4.11 0.00 -0.72 2.02 -1.26 -3.46 118.70 113.85 1og3 s GLU 19 Ca 0.05 1.11 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1og3 s GLU 19 Cb -0.02 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1og3 s GLU 19 CO 0.74 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1og3 n GLY 20 N 3.75 0.74 0.04 -1.39 0.00 -1.26 -4.80 105.19 102.27 1og3 n GLY 20 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1og3 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og3 h VAL 22 N 2.76 0.54 -0.47 0.00 2.07 -1.92 0.21 116.25 119.44 1og3 h VAL 22 Ca 0.00 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1og3 h VAL 22 Cb 0.95 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1og3 h VAL 22 CO 0.00 0.05 0.11 0.78 0.02 0.00 0.00 177.57 178.54 1og3 h ASN 23 N 0.28 0.71 0.15 0.57 2.35 -1.95 -0.72 115.58 116.98 1og3 h ASN 23 Ca 0.40 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1og3 h ASN 23 Cb 0.67 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1og3 h ASN 23 CO -0.49 0.76 -0.40 0.50 -1.65 0.00 0.00 177.43 176.15 1og3 h LYS 24 N 0.63 0.32 -0.05 0.81 1.63 -1.68 -3.04 116.57 115.20 1og3 h LYS 24 Ca 0.15 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1og3 h LYS 24 Cb 0.33 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1og3 h LYS 24 CO 0.00 0.67 -0.09 0.52 -3.45 0.00 0.00 179.45 177.10 1og3 h MET 25 N 0.27 0.14 -0.26 1.90 2.86 -0.39 -1.22 114.93 118.24 1og3 h MET 25 Ca 0.03 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1og3 h MET 25 Cb 0.82 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1og3 h MET 25 CO 0.07 0.67 0.41 0.93 1.06 0.00 0.00 176.91 180.04 1og3 h GLU 26 N -0.37 0.00 0.02 1.72 4.39 -1.10 1.06 114.58 120.29 1og3 h GLU 26 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1og3 h GLU 26 Cb 0.67 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 1og3 h GLU 26 CO 0.02 0.00 -1.90 -1.91 -1.16 0.00 0.00 179.01 174.07 1og3 n GLU 27 N -3.42 0.66 -0.02 2.33 2.13 -1.14 -4.48 120.64 116.70 1og3 n GLU 27 Ca 0.04 0.23 -0.17 0.00 0.66 0.00 0.00 57.16 57.92 1og3 n GLU 27 Cb 0.53 -1.72 -0.14 0.00 0.27 0.00 0.00 31.44 30.38 1og3 n GLU 27 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1og3 n LYS 28 N -3.05 0.71 -0.30 5.31 4.81 0.52 -4.37 118.16 121.80 1og3 n LYS 28 Ca -0.23 0.25 0.29 0.00 -0.87 0.00 0.00 58.31 57.75 1og3 n LYS 28 Cb 1.07 -1.71 0.64 0.00 0.02 0.00 0.00 35.03 35.06 1og3 n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1og3 h ALA 29 N 0.36 2.70 -0.67 3.14 0.00 0.77 -1.00 119.26 124.56 1og3 h ALA 29 Ca -0.41 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1og3 h ALA 29 Cb 2.03 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1og3 h ALA 29 CO 0.07 -1.05 0.33 -1.35 0.00 0.00 0.00 179.25 177.24 1og3 h PRO 30 N 0.17 0.97 -0.07 0.00 0.11 -1.79 0.34 132.00 131.72 1og3 h PRO 30 Ca 0.56 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.51 1og3 h PRO 30 Cb 1.86 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.79 1og3 h PRO 30 CO -0.13 0.77 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.35 1og3 h LEU 31 N 0.94 0.13 -0.96 2.35 3.38 -1.48 -2.84 115.31 116.82 1og3 h LEU 31 Ca 0.23 -0.32 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1og3 h LEU 31 Cb 0.11 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 1og3 h LEU 31 CO -0.03 0.42 0.56 -0.07 0.09 0.00 0.00 178.44 179.40 1og3 h LEU 32 N -0.16 0.69 -1.12 1.67 3.38 -1.00 0.46 115.31 119.23 1og3 h LEU 32 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1og3 h LEU 32 Cb 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1og3 h LEU 32 CO 0.00 0.23 0.30 0.25 0.09 0.00 0.00 178.44 179.31 1og3 h LEU 33 N 0.70 0.83 -0.43 1.67 5.85 -0.11 -0.01 115.31 123.80 1og3 h LEU 33 Ca 0.56 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.15 1og3 h LEU 33 Cb 0.88 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1og3 h LEU 33 CO -0.40 0.71 0.11 -0.61 -0.34 0.00 0.00 178.44 177.92 1og3 h GLN 34 N 0.91 0.69 -0.96 1.25 4.15 -0.75 -1.80 115.11 118.59 1og3 h GLN 34 Ca 0.22 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1og3 h GLN 34 Cb 0.11 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1og3 h GLN 34 CO -0.03 0.69 0.59 0.93 -1.93 0.00 0.00 178.83 179.08 1og3 h GLU 35 N 0.56 1.30 0.24 1.69 5.08 -0.82 -1.82 114.58 120.81 1og3 h GLU 35 Ca 0.14 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1og3 h GLU 35 Cb 0.31 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1og3 h GLU 35 CO 0.00 0.90 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.34 1og3 h ASP 36 N 1.32 -0.31 -0.76 1.42 3.32 -0.68 -2.96 116.42 117.77 1og3 h ASP 36 Ca 0.35 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.50 1og3 h ASP 36 Cb -0.08 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 1og3 h ASP 36 CO -0.07 -0.21 0.41 -0.26 -1.72 0.00 0.00 179.24 177.39 1og3 h PHE 37 N -0.35 0.73 0.00 4.55 -1.00 -1.03 0.14 116.94 119.98 1og3 h PHE 37 Ca -0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1og3 h PHE 37 Cb 0.27 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1og3 h PHE 37 CO -0.07 0.28 -0.01 -0.91 -1.61 0.00 0.00 178.31 175.99 1og3 h ASN 38 N 0.69 0.00 -0.10 2.17 2.35 -1.18 -2.39 115.58 117.11 1og3 h ASN 38 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1og3 h ASN 38 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1og3 h ASN 38 CO -0.26 0.01 0.00 0.23 -1.65 0.00 0.00 177.43 175.76 1og3 n MET 39 N -3.85 1.35 -3.34 0.81 2.81 -0.53 -4.85 117.12 109.51 1og3 n MET 39 Ca -0.03 -1.35 -0.24 0.00 -1.81 0.00 0.00 57.70 54.28 1og3 n MET 39 Cb 0.10 -1.15 -0.09 0.00 -0.71 0.00 0.00 33.22 31.37 1og3 n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1og3 s ASN 40 N -0.77 1.46 0.18 7.83 3.84 0.37 -4.98 114.94 122.86 1og3 s ASN 40 Ca 0.11 -2.51 -0.13 0.00 0.21 0.00 0.00 52.86 50.54 1og3 s ASN 40 Cb 0.06 -0.05 0.15 0.00 -0.55 0.00 0.00 41.25 40.86 1og3 s ASN 40 CO 0.09 -0.20 1.78 0.00 -2.79 0.00 0.00 177.10 175.98 1og3 h ALA 41 N 6.11 0.66 -0.23 1.71 0.00 -1.86 -2.10 119.26 123.54 1og3 h ALA 41 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1og3 h ALA 41 Cb 0.97 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1og3 h ALA 41 CO 0.28 -0.10 0.02 0.87 0.00 0.00 0.00 179.25 180.32 1og3 h LYS 42 N 0.49 0.09 -0.34 0.00 1.57 -1.95 -1.48 116.57 114.96 1og3 h LYS 42 Ca 0.23 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 1og3 h LYS 42 Cb 0.16 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1og3 h LYS 42 CO -0.17 0.06 0.07 1.25 -0.57 0.00 0.00 179.45 180.09 1og3 h LEU 43 N 0.09 0.03 -0.41 2.94 5.85 -1.89 0.04 115.31 121.95 1og3 h LEU 43 Ca 0.11 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1og3 h LEU 43 Cb 0.13 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1og3 h LEU 43 CO -0.17 0.05 -0.01 0.50 -0.34 0.00 0.00 178.44 178.47 1og3 h LYS 44 N 0.19 0.09 0.02 1.25 3.64 -0.78 0.28 116.57 121.26 1og3 h LYS 44 Ca 0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1og3 h LYS 44 Cb 0.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1og3 h LYS 44 CO -0.20 0.06 -0.01 0.28 -2.27 0.00 0.00 179.45 177.31 1og3 h VAL 45 N 0.09 1.01 -0.73 2.00 2.07 -0.69 -0.29 116.25 119.70 1og3 h VAL 45 Ca 0.20 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1og3 h VAL 45 Cb 0.29 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1og3 h VAL 45 CO -0.35 0.02 0.41 0.00 0.02 0.00 0.00 177.57 177.67 1og3 h ALA 46 N 0.94 1.00 -0.13 1.67 0.00 -0.33 -2.04 119.26 120.37 1og3 h ALA 46 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1og3 h ALA 46 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1og3 h ALA 46 CO 0.00 0.07 -0.01 2.35 0.00 0.00 0.00 179.25 181.67 1og3 h TRP 47 N 0.73 0.26 -0.76 0.00 2.91 -0.13 -0.05 115.95 118.91 1og3 h TRP 47 Ca 0.34 -0.05 0.06 0.00 1.13 0.00 0.00 58.89 60.37 1og3 h TRP 47 Cb 0.25 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 1og3 h TRP 47 CO -0.07 0.48 0.45 0.93 -1.03 0.00 0.00 178.44 179.20 1og3 h GLU 48 N -0.04 0.79 -0.37 2.65 5.08 -0.77 0.51 114.58 122.44 1og3 h GLU 48 Ca 0.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1og3 h GLU 48 Cb 0.38 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1og3 h GLU 48 CO 0.01 0.52 -0.25 0.93 -1.00 0.00 0.00 179.01 179.22 1og3 h GLU 49 N 0.81 0.82 -0.73 2.33 5.08 -1.33 -2.88 114.58 118.68 1og3 h GLU 49 Ca 0.34 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1og3 h GLU 49 Cb 0.20 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1og3 h GLU 49 CO -0.19 1.02 0.40 0.00 -1.00 0.00 0.00 179.01 179.25 1og3 h ALA 50 N 0.78 1.34 -0.52 3.43 0.00 -0.02 -2.46 119.26 121.80 1og3 h ALA 50 Ca 0.07 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1og3 h ALA 50 Cb 0.82 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1og3 h ALA 50 CO 0.07 0.55 0.30 -0.22 0.00 0.00 0.00 179.25 179.95 1og3 h LYS 51 N 1.02 0.58 0.52 0.00 1.63 0.19 -0.86 116.57 119.66 1og3 h LYS 51 Ca 0.26 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 1og3 h LYS 51 Cb 0.02 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1og3 h LYS 51 CO -0.04 0.38 -0.29 0.87 -3.45 0.00 0.00 179.45 176.92 1og3 h LYS 52 N 0.60 -0.73 -0.72 1.90 1.57 -1.28 -2.00 116.57 115.90 1og3 h LYS 52 Ca 0.21 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.21 1og3 h LYS 52 Cb 0.05 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.40 1og3 h LYS 52 CO -0.11 -0.49 0.07 -0.09 -0.57 0.00 0.00 179.45 178.27 1og3 h ARG 53 N -0.76 0.16 -0.59 3.15 9.65 -1.23 -0.17 114.38 124.59 1og3 h ARG 53 Ca -0.06 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1og3 h ARG 53 Cb 0.61 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 1og3 h ARG 53 CO 0.08 0.11 0.31 2.35 2.80 0.00 0.00 179.97 185.62 1og3 h TRP 54 N 0.16 0.79 -0.85 2.20 2.91 -0.88 -1.36 115.95 118.93 1og3 h TRP 54 Ca 0.40 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.43 1og3 h TRP 54 Cb 0.70 -0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 29.05 1og3 h TRP 54 CO -0.35 0.56 0.56 -0.91 -1.03 0.00 0.00 178.44 177.28 1og3 h ASN 55 N 0.81 0.94 0.19 2.65 2.35 -0.28 0.56 115.58 122.81 1og3 h ASN 55 Ca 0.21 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 1og3 h ASN 55 Cb 0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1og3 h ASN 55 CO -0.03 0.66 -0.58 0.78 -1.65 0.00 0.00 177.43 176.61 1og3 h ASN 56 N 1.10 0.45 0.24 5.81 2.35 -1.07 -3.33 115.58 121.14 1og3 h ASN 56 Ca 0.33 -0.25 -0.34 0.00 -0.55 0.00 0.00 56.30 55.49 1og3 h ASN 56 Cb -0.04 -0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.23 1og3 h ASN 56 CO -0.09 0.93 -1.51 0.40 -1.65 0.00 0.00 177.43 175.51 1og3 h ILE 57 N 0.30 1.22 -1.03 2.81 2.04 -0.79 -3.39 117.51 118.68 1og3 h ILE 57 Ca -0.00 -2.65 0.29 0.00 1.00 0.00 0.00 64.86 63.50 1og3 h ILE 57 Cb 1.10 3.00 -0.13 0.00 -0.74 0.00 0.00 36.82 40.05 1og3 h ILE 57 CO 0.10 0.82 0.61 0.50 0.00 0.00 0.00 178.15 180.18 1og3 h LYS 58 N 0.11 0.41 0.00 2.37 3.64 -1.01 -2.65 116.57 119.44 1og3 h LYS 58 Ca -0.27 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1og3 h LYS 58 Cb 2.14 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1og3 h LYS 58 CO 0.25 0.27 -0.11 -1.35 -2.27 0.00 0.00 179.45 176.25 1og3 h PRO 59 N 0.43 0.00 0.00 1.90 0.11 -1.76 -3.23 132.00 129.45 1og3 h PRO 59 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 1og3 h PRO 59 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1og3 h PRO 59 CO -0.50 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 176.27 1og3 n SER 60 N -3.24 0.00 -3.71 -2.05 3.41 -1.00 -4.89 113.62 102.13 1og3 n SER 60 Ca 0.00 -0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 57.97 1og3 n SER 60 Cb 0.37 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1og3 n SER 60 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1og3 s ARG 61 N -2.24 1.41 -0.06 4.33 3.52 -1.22 -5.16 118.95 119.53 1og3 s ARG 61 Ca 0.36 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1og3 s ARG 61 Cb 0.19 0.52 -0.04 0.00 -1.56 0.00 0.00 34.95 34.06 1og3 s ARG 61 CO 0.37 -0.64 0.16 -1.54 -0.81 0.00 0.00 175.30 172.84 1og3 s SER 62 N -2.85 6.34 0.27 -2.12 1.04 -1.26 -4.94 113.70 110.18 1og3 s SER 62 Ca 0.09 0.39 0.11 0.00 0.48 0.00 0.00 55.95 57.02 1og3 s SER 62 Cb -0.03 -2.01 -0.05 0.00 0.10 0.00 0.00 66.02 64.03 1og3 s SER 62 CO 0.00 0.33 -0.10 -0.31 0.98 0.00 0.00 173.24 174.14 1og3 s TYR 63 N -1.18 2.49 0.65 5.02 1.51 -1.26 -5.12 117.35 119.46 1og3 s TYR 63 Ca 0.21 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.82 1og3 s TYR 63 Cb -0.12 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1og3 s TYR 63 CO 0.12 0.67 0.53 -2.30 -1.11 0.00 0.00 175.55 173.45 1og3 n PRO 64 N -0.76 0.42 -1.76 -1.71 -0.02 -1.26 -4.83 135.00 125.09 1og3 n PRO 64 Ca -0.06 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 1og3 n PRO 64 Cb 0.60 -1.77 -0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1og3 n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1og3 n LYS 65 N -0.37 2.52 0.00 -0.52 4.81 -1.26 -0.96 118.16 122.39 1og3 n LYS 65 Ca 0.11 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1og3 n LYS 65 Cb 0.49 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1og3 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og3 n GLY 66 N 0.53 3.08 3.60 3.14 0.00 -1.26 -4.97 105.19 109.31 1og3 n GLY 66 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1og3 n GLY 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1og3 s PHE 67 N -1.42 2.06 0.35 1.61 2.19 -0.13 -4.95 117.98 117.68 1og3 s PHE 67 Ca 0.00 0.64 0.03 0.00 0.33 0.00 0.00 56.93 57.93 1og3 s PHE 67 Cb 0.00 -4.21 0.03 0.00 -1.31 0.00 0.00 43.02 37.53 1og3 s PHE 67 CO 0.00 -2.53 0.23 0.27 1.83 0.00 0.00 175.22 175.01 1og3 n ASN 68 N 9.68 2.25 0.25 6.13 0.23 -1.26 -4.82 115.26 127.72 1og3 n ASN 68 Ca 0.20 -2.27 0.08 0.00 -0.53 0.00 0.00 54.58 52.06 1og3 n ASN 68 Cb 0.47 0.01 0.62 0.00 -2.08 0.00 0.00 39.78 38.81 1og3 n ASN 68 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1og3 h ASP 69 N 0.48 0.00 -0.26 0.53 3.32 -1.98 -1.26 116.42 117.24 1og3 h ASP 69 Ca -0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1og3 h ASP 69 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1og3 h ASP 69 CO 0.37 0.04 0.08 -0.26 -1.72 0.00 0.00 179.24 177.74 1og3 h PHE 70 N 0.00 0.43 -0.48 4.55 0.04 -1.98 0.52 116.94 120.03 1og3 h PHE 70 Ca -0.00 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1og3 h PHE 70 Cb 0.06 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1og3 h PHE 70 CO 0.00 0.48 0.16 0.45 -0.60 0.00 0.00 178.31 178.80 1og3 h HIS 71 N 0.26 0.75 -0.09 -0.55 3.86 -1.63 0.26 115.15 118.01 1og3 h HIS 71 Ca 0.08 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1og3 h HIS 71 Cb 0.26 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1og3 h HIS 71 CO 0.01 0.66 0.01 0.78 0.86 0.00 0.00 177.93 180.24 1og3 h GLY 72 N 0.63 0.18 1.01 2.45 0.00 -1.07 -2.06 103.07 104.20 1og3 h GLY 72 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1og3 h GLY 72 CO -0.01 0.11 0.27 -0.84 0.00 0.00 0.00 176.54 176.08 1og3 h THR 73 N -0.10 1.24 -0.52 4.70 2.02 0.09 -1.92 112.91 118.43 1og3 h THR 73 Ca 0.03 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1og3 h THR 73 Cb 0.32 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1og3 h THR 73 CO 0.00 0.29 0.32 0.00 0.37 0.00 0.00 175.52 176.50 1og3 h ALA 74 N 1.12 0.66 -0.21 6.16 0.00 -0.89 -1.04 119.26 125.07 1og3 h ALA 74 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1og3 h ALA 74 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1og3 h ALA 74 CO -0.02 0.04 0.04 1.25 0.00 0.00 0.00 179.25 180.56 1og3 h LEU 75 N 0.64 0.32 -0.88 0.00 5.85 -1.16 -1.61 115.31 118.46 1og3 h LEU 75 Ca 0.20 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1og3 h LEU 75 Cb -0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1og3 h LEU 75 CO -0.08 0.48 0.57 0.58 -0.34 0.00 0.00 178.44 179.65 1og3 h VAL 76 N 0.15 1.16 -0.89 1.05 2.07 -1.19 -2.08 116.25 116.51 1og3 h VAL 76 Ca 0.06 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1og3 h VAL 76 Cb 0.29 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1og3 h VAL 76 CO 0.00 0.20 0.57 0.00 0.02 0.00 0.00 177.57 178.36 1og3 h ALA 77 N 1.36 1.13 -0.66 1.67 0.00 -0.90 -2.62 119.26 119.23 1og3 h ALA 77 Ca 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1og3 h ALA 77 Cb -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1og3 h ALA 77 CO -0.11 0.56 0.30 -0.92 0.00 0.00 0.00 179.25 179.08 1og3 h TYR 78 N 1.22 0.95 0.00 0.00 3.20 -0.59 0.24 116.97 121.98 1og3 h TYR 78 Ca 0.32 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1og3 h TYR 78 Cb -0.10 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.87 1og3 h TYR 78 CO -0.00 0.70 0.00 0.25 -1.64 0.00 0.00 178.16 177.47 1og3 n THR 79 N -4.33 0.07 -2.27 1.81 -2.24 -1.00 -4.17 114.28 102.15 1og3 n THR 79 Ca 0.06 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1og3 n THR 79 Cb 0.15 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1og3 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og3 n GLY 80 N 0.26 1.36 0.00 3.38 0.00 0.86 -4.63 105.19 106.42 1og3 n GLY 80 Ca 0.14 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1og3 n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1og3 n SER 81 N -1.96 0.00 0.18 1.61 3.41 -1.26 -3.20 113.62 112.39 1og3 n SER 81 Ca 0.00 -0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.65 1og3 n SER 81 Cb 0.00 -0.28 0.33 0.00 -0.26 0.00 0.00 64.21 64.00 1og3 n SER 81 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1og3 h ILE 82 N 0.00 0.00 -0.78 -1.33 6.09 -1.87 -3.35 117.51 116.28 1og3 h ILE 82 Ca 0.00 -0.71 0.17 0.00 -1.37 0.00 0.00 64.86 62.96 1og3 h ILE 82 Cb 0.24 1.69 -0.11 0.00 0.47 0.00 0.00 36.82 39.10 1og3 h ILE 82 CO 0.00 0.00 0.24 0.00 -3.07 0.00 0.00 178.15 175.32 1og3 h ALA 83 N 2.22 1.07 0.25 0.18 0.00 -1.71 -2.07 119.26 119.20 1og3 h ALA 83 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1og3 h ALA 83 Cb 0.81 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1og3 h ALA 83 CO 0.00 -0.32 -0.12 0.28 0.00 0.00 0.00 179.25 179.09 1og3 h VAL 84 N 0.32 0.77 -0.57 0.00 2.07 -1.85 0.19 116.25 117.18 1og3 h VAL 84 Ca 0.45 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.84 1og3 h VAL 84 Cb 0.78 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1og3 h VAL 84 CO -0.50 0.02 0.22 -0.78 0.02 0.00 0.00 177.57 176.54 1og3 h ASP 85 N -0.38 0.80 -0.01 0.57 3.58 -1.77 -1.49 116.42 117.71 1og3 h ASP 85 Ca -0.03 -0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.25 1og3 h ASP 85 Cb 0.29 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1og3 h ASP 85 CO 0.06 0.76 -0.05 0.15 -2.88 0.00 0.00 179.24 177.28 1og3 h PHE 86 N 0.79 -0.11 -0.88 0.28 3.57 -1.29 -0.13 116.94 119.17 1og3 h PHE 86 Ca 0.19 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.79 1og3 h PHE 86 Cb 0.22 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1og3 h PHE 86 CO 0.01 -0.07 0.53 -0.91 -2.23 0.00 0.00 178.31 175.63 1og3 h ASN 87 N -0.08 0.78 0.15 0.41 2.35 -0.77 -1.62 115.58 116.81 1og3 h ASN 87 Ca 0.03 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1og3 h ASN 87 Cb 0.11 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1og3 h ASN 87 CO -0.06 0.45 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.01 1og3 h ARG 88 N 0.89 -0.20 -0.98 0.81 2.43 -0.63 -0.92 114.38 115.78 1og3 h ARG 88 Ca 0.42 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 1og3 h ARG 88 Cb 0.34 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1og3 h ARG 88 CO -0.23 -0.10 0.63 0.00 -1.51 0.00 0.00 179.97 178.75 1og3 h ALA 89 N 0.60 1.52 0.13 2.80 0.00 -0.48 -0.88 119.26 122.95 1og3 h ALA 89 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1og3 h ALA 89 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1og3 h ALA 89 CO 0.03 0.27 -0.06 0.28 0.00 0.00 0.00 179.25 179.77 1og3 h VAL 90 N 1.01 1.05 -0.86 0.00 2.07 -1.11 -2.18 116.25 116.23 1og3 h VAL 90 Ca 0.46 -0.86 0.12 0.00 0.82 0.00 0.00 66.70 67.24 1og3 h VAL 90 Cb 0.40 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1og3 h VAL 90 CO -0.22 0.20 0.55 -0.09 0.02 0.00 0.00 177.57 178.03 1og3 h ARG 91 N -0.59 0.70 -0.55 1.57 2.43 -0.88 -1.33 114.38 115.73 1og3 h ARG 91 Ca -0.02 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1og3 h ARG 91 Cb 0.46 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.75 1og3 h ARG 91 CO 0.03 0.46 0.15 0.39 -1.51 0.00 0.00 179.97 179.49 1og3 n GLU 92 N -4.54 2.99 0.18 0.20 1.02 -0.36 -3.95 120.64 116.18 1og3 n GLU 92 Ca 0.16 -3.05 -0.13 0.00 -0.02 0.00 0.00 57.16 54.12 1og3 n GLU 92 Cb 0.40 -2.03 -0.07 0.00 -0.02 0.00 0.00 31.44 29.72 1og3 n GLU 92 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1og3 h PHE 93 N 1.95 -1.06 -0.04 -0.32 3.57 -0.71 -2.48 116.94 117.86 1og3 h PHE 93 Ca 0.22 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1og3 h PHE 93 Cb 2.00 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 41.16 1og3 h PHE 93 CO 1.05 -0.48 0.22 -0.22 -2.23 0.00 0.00 178.31 176.65 1og3 h LYS 94 N -0.69 0.00 0.00 1.11 3.64 -1.68 0.54 116.57 119.49 1og3 h LYS 94 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1og3 h LYS 94 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1og3 h LYS 94 CO -0.09 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.48 1og3 n GLU 95 N -3.11 0.18 0.00 1.90 4.71 -0.93 -4.38 120.64 119.01 1og3 n GLU 95 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1og3 n GLU 95 Cb 0.29 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1og3 n GLU 95 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1og3 n ASN 96 N -1.33 0.00 0.03 1.62 6.94 -0.49 -5.04 115.26 116.99 1og3 n ASN 96 Ca 0.07 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.64 1og3 n ASN 96 Cb 0.14 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.61 1og3 n ASN 96 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1og3 n PRO 97 N 0.00 0.01 0.02 -0.53 -0.04 0.06 -1.94 135.00 132.59 1og3 n PRO 97 Ca 0.00 0.31 -0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1og3 n PRO 97 Cb 0.00 -1.80 0.15 0.00 -0.04 0.00 0.00 33.50 31.81 1og3 n PRO 97 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1og3 h GLY 98 N 0.00 0.50 -4.71 0.55 0.00 -1.96 -3.24 103.07 94.21 1og3 h GLY 98 Ca 0.00 -0.48 -0.74 0.00 0.00 0.00 0.00 47.33 46.11 1og3 h GLY 98 CO 0.00 0.43 0.98 -1.06 0.00 0.00 0.00 176.54 176.90 1og3 n GLN 99 N -4.05 2.75 -3.54 4.80 6.02 -0.82 -4.90 117.38 117.64 1og3 n GLN 99 Ca -0.01 -3.47 -0.41 0.00 -0.01 0.00 0.00 57.00 53.09 1og3 n GLN 99 Cb 0.48 -2.28 -0.09 0.00 1.02 0.00 0.00 30.24 29.37 1og3 n GLN 99 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1og3 s PHE 100 N -4.00 3.31 -0.66 1.08 5.36 -1.23 -4.96 117.98 116.88 1og3 s PHE 100 Ca 0.56 -1.34 0.01 0.00 -0.96 0.00 0.00 56.93 55.19 1og3 s PHE 100 Cb 0.46 -3.01 0.39 0.00 -0.34 0.00 0.00 43.02 40.52 1og3 s PHE 100 CO -0.30 -0.83 1.64 0.72 -1.46 0.00 0.00 175.22 174.99 1og3 n HIS 101 N 5.00 3.15 -2.36 10.12 8.25 -1.26 -4.29 115.22 133.84 1og3 n HIS 101 Ca -0.11 -2.66 0.02 0.00 -0.26 0.00 0.00 57.72 54.71 1og3 n HIS 101 Cb 0.43 -0.74 0.01 0.00 1.12 0.00 0.00 29.99 30.81 1og3 n HIS 101 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1og3 n TYR 102 N -0.54 0.00 -0.03 4.41 4.01 -1.26 -4.79 117.16 118.95 1og3 n TYR 102 Ca 0.48 -0.40 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 1og3 n TYR 102 Cb 0.45 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 1og3 n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1og3 h LYS 103 N 0.73 0.01 -0.01 -0.72 1.57 -1.90 0.16 116.57 116.40 1og3 h LYS 103 Ca -0.21 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.32 1og3 h LYS 103 Cb 1.76 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.08 1og3 h LYS 103 CO 0.05 0.00 -0.97 0.00 -0.57 0.00 0.00 179.45 177.97 1og3 h ALA 104 N 1.17 0.13 -0.12 3.86 0.00 -1.86 -3.13 119.26 119.30 1og3 h ALA 104 Ca 0.08 -0.67 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1og3 h ALA 104 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1og3 h ALA 104 CO -0.17 0.64 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 1og3 h PHE 105 N 0.34 -0.08 -0.44 0.00 3.57 -1.88 -1.13 116.94 117.32 1og3 h PHE 105 Ca -0.12 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.46 1og3 h PHE 105 Cb 1.63 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.36 1og3 h PHE 105 CO 0.11 -0.06 0.09 1.25 -2.23 0.00 0.00 178.31 177.46 1og3 h HIS 106 N -0.01 0.15 0.08 0.41 2.76 -0.78 -0.44 115.15 117.32 1og3 h HIS 106 Ca 0.06 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1og3 h HIS 106 Cb 0.11 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1og3 h HIS 106 CO -0.17 0.01 -0.04 -0.92 -1.30 0.00 0.00 177.93 175.52 1og3 h TYR 107 N 0.23 -0.10 -0.76 5.26 3.20 -1.39 -0.32 116.97 123.09 1og3 h TYR 107 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1og3 h TYR 107 Cb 0.27 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1og3 h TYR 107 CO -0.21 0.05 0.47 1.88 -1.64 0.00 0.00 178.16 178.71 1og3 h TYR 108 N -0.22 0.98 -0.50 -3.82 0.05 -0.96 0.16 116.97 112.66 1og3 h TYR 108 Ca -0.01 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1og3 h TYR 108 Cb 0.19 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1og3 h TYR 108 CO -0.03 0.65 0.05 1.25 -1.05 0.00 0.00 178.16 179.02 1og3 h LEU 109 N 1.03 0.83 -0.45 3.88 5.85 -1.01 0.21 115.31 125.65 1og3 h LEU 109 Ca 0.27 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1og3 h LEU 109 Cb -0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1og3 h LEU 109 CO -0.05 0.90 0.27 0.74 -0.34 0.00 0.00 178.44 179.96 1og3 h THR 110 N 0.72 1.14 -0.51 1.05 2.02 -0.63 -2.39 112.91 114.31 1og3 h THR 110 Ca 0.15 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1og3 h THR 110 Cb 0.45 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1og3 h THR 110 CO 0.02 0.14 -0.01 -0.09 0.37 0.00 0.00 175.52 175.94 1og3 h ARG 111 N 0.60 0.91 -0.11 6.66 9.65 -0.41 -2.01 114.38 129.67 1og3 h ARG 111 Ca 0.16 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1og3 h ARG 111 Cb -0.01 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 1og3 h ARG 111 CO -0.03 0.94 -0.20 0.00 2.80 0.00 0.00 179.97 183.48 1og3 h ALA 112 N 0.93 -0.17 -0.75 2.80 0.00 -0.36 0.37 119.26 122.08 1og3 h ALA 112 Ca 0.14 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1og3 h ALA 112 Cb 0.54 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1og3 h ALA 112 CO 0.03 -0.67 0.27 -0.07 0.00 0.00 0.00 179.25 178.81 1og3 h LEU 113 N -0.27 1.06 -1.19 0.00 3.38 -1.34 -1.24 115.31 115.72 1og3 h LEU 113 Ca 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1og3 h LEU 113 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1og3 h LEU 113 CO -0.26 0.96 0.11 1.56 0.09 0.00 0.00 178.44 180.90 1og3 h GLN 114 N 1.11 0.68 -0.11 1.13 4.20 -0.85 -0.93 115.11 120.34 1og3 h GLN 114 Ca 0.25 -0.12 -0.21 0.00 0.06 0.00 0.00 58.65 58.63 1og3 h GLN 114 Cb 0.25 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1og3 h GLN 114 CO -0.02 0.62 -0.78 -0.07 -0.67 0.00 0.00 178.83 177.92 1og3 h LEU 115 N 0.66 0.74 -0.09 1.46 3.38 -0.45 -3.15 115.31 117.88 1og3 h LEU 115 Ca 0.15 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1og3 h LEU 115 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1og3 h LEU 115 CO -0.00 1.27 -0.08 0.18 0.09 0.00 0.00 178.44 179.89 1og3 n LEU 116 N -3.88 0.21 -4.83 1.67 4.77 -0.51 -4.85 117.00 109.58 1og3 n LEU 116 Ca -0.06 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 1og3 n LEU 116 Cb 0.74 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1og3 n LEU 116 CO 0.51 0.04 0.70 -0.55 -1.33 0.00 0.00 177.39 176.77 1og3 s SER 117 N -2.65 6.12 0.00 -1.43 0.15 -0.37 -4.95 113.70 110.56 1og3 s SER 117 Ca 0.25 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1og3 s SER 117 Cb 0.20 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1og3 s SER 117 CO 0.50 -0.94 0.00 0.59 1.20 0.00 0.00 173.24 174.59 1og3 n ASN 118 N -2.13 0.10 0.16 5.45 3.02 -1.26 -5.03 115.26 115.56 1og3 n ASN 118 Ca 0.07 -0.80 0.04 0.00 -0.03 0.00 0.00 54.58 53.86 1og3 n ASN 118 Cb 0.54 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.85 1og3 n ASN 118 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1og3 h GLY 119 N 0.00 0.00 -4.54 7.41 0.00 -1.98 -3.47 103.07 100.49 1og3 h GLY 119 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1og3 h GLY 119 CO 0.00 0.00 -0.08 1.22 0.00 0.00 0.00 176.54 177.68 1og3 n ASP 120 N -3.31 -0.27 -4.55 0.19 8.00 -1.26 -4.90 116.55 110.44 1og3 n ASP 120 Ca 0.01 0.91 -0.27 0.00 0.71 0.00 0.00 54.79 56.16 1og3 n ASP 120 Cb 0.65 -0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 1og3 n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1og3 s HIS 122 N -1.68 1.17 -0.36 0.00 3.76 0.19 -4.97 115.29 113.40 1og3 s HIS 122 Ca 0.24 -1.08 -0.06 0.00 -0.15 0.00 0.00 55.06 54.02 1og3 s HIS 122 Cb -0.09 -0.67 0.06 0.00 1.11 0.00 0.00 32.58 33.00 1og3 s HIS 122 CO 0.14 -0.29 0.14 -1.12 -0.85 0.00 0.00 174.74 172.76 1og3 s SER 123 N -3.16 5.31 0.37 1.40 0.01 -1.26 -1.70 113.70 114.67 1og3 s SER 123 Ca 0.25 -1.38 0.07 0.00 1.31 0.00 0.00 55.95 56.20 1og3 s SER 123 Cb 0.06 -1.86 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 1og3 s SER 123 CO 0.04 -0.40 -0.02 0.68 0.41 0.00 0.00 173.24 173.96 1og3 s VAL 124 N 1.34 1.93 0.05 3.43 -7.23 0.17 -4.61 120.40 115.49 1og3 s VAL 124 Ca 0.00 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1og3 s VAL 124 Cb -0.21 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 1og3 s VAL 124 CO 0.01 -0.08 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.29 1og3 s TYR 125 N -2.78 1.01 -0.02 2.82 1.51 -0.05 -0.98 117.35 118.85 1og3 s TYR 125 Ca 0.34 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1og3 s TYR 125 Cb 0.07 -0.59 0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1og3 s TYR 125 CO 0.17 0.01 0.03 0.50 -1.11 0.00 0.00 175.55 175.14 1og3 s ARG 126 N -1.45 -0.04 0.05 -0.62 3.52 -0.49 -0.80 118.95 119.13 1og3 s ARG 126 Ca -0.03 0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.82 1og3 s ARG 126 Cb -0.09 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.00 1og3 s ARG 126 CO 0.01 -0.18 -0.09 0.20 -0.81 0.00 0.00 175.30 174.43 1og3 s GLY 127 N 1.13 1.75 0.11 8.12 0.00 -1.22 0.02 107.32 117.23 1og3 s GLY 127 Ca -0.08 -1.13 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 1og3 s GLY 127 CO -0.03 -1.05 0.06 -0.51 0.00 0.00 0.00 173.10 171.57 1og3 s THR 128 N -1.08 0.13 -0.52 0.90 -4.23 -0.37 -4.48 115.64 105.98 1og3 s THR 128 Ca 0.19 -1.80 0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1og3 s THR 128 Cb -0.11 -1.85 0.41 0.00 1.34 0.00 0.00 72.50 72.29 1og3 s THR 128 CO 0.10 -0.61 1.33 0.29 -0.54 0.00 0.00 174.62 175.19 1og3 n LYS 129 N -0.05 2.88 -4.41 3.99 5.02 -1.18 -2.68 118.16 121.74 1og3 n LYS 129 Ca -0.08 -2.43 -0.27 0.00 -2.02 0.00 0.00 58.31 53.50 1og3 n LYS 129 Cb 0.63 -1.55 -0.17 0.00 -0.02 0.00 0.00 35.03 33.92 1og3 n LYS 129 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1og3 s THR 130 N -1.92 1.34 0.26 -0.18 2.01 -1.26 -3.94 115.64 111.95 1og3 s THR 130 Ca 0.32 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1og3 s THR 130 Cb 0.23 -1.24 -0.11 0.00 0.01 0.00 0.00 72.50 71.39 1og3 s THR 130 CO 0.12 0.41 1.54 -0.60 -0.69 0.00 0.00 174.62 175.40 1og3 s ARG 131 N 1.01 4.19 -0.15 4.92 6.06 -0.76 -3.78 118.95 130.43 1og3 s ARG 131 Ca -0.07 2.45 -0.02 0.00 -2.50 0.00 0.00 55.73 55.59 1og3 s ARG 131 Cb -0.15 -3.07 -0.02 0.00 0.06 0.00 0.00 34.95 31.77 1og3 s ARG 131 CO -0.01 -0.56 -0.07 -0.06 -2.50 0.00 0.00 175.30 172.10 1og3 s PHE 132 N 0.20 2.94 -0.18 5.12 0.40 -1.26 0.09 117.98 125.29 1og3 s PHE 132 Ca 0.63 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1og3 s PHE 132 Cb -0.45 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 1og3 s PHE 132 CO 0.43 -0.16 -0.06 -1.01 0.70 0.00 0.00 175.22 175.12 1og3 s HIS 133 N 0.50 2.95 -0.19 0.36 3.76 0.20 -4.90 115.29 117.97 1og3 s HIS 133 Ca -0.05 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 53.95 1og3 s HIS 133 Cb -0.15 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1og3 s HIS 133 CO 0.03 -0.28 1.00 -0.47 -0.85 0.00 0.00 174.74 174.17 1og3 s TYR 134 N 0.83 3.39 -0.40 1.40 5.04 -1.26 0.66 117.35 127.00 1og3 s TYR 134 Ca -0.02 1.46 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 1og3 s TYR 134 Cb -0.15 -3.21 0.44 0.00 0.35 0.00 0.00 41.96 39.39 1og3 s TYR 134 CO 0.01 -0.39 1.82 0.25 -1.34 0.00 0.00 175.55 175.91 1og3 n THR 135 N 5.08 2.89 -4.11 4.34 -2.24 -0.83 -4.89 114.28 114.51 1og3 n THR 135 Ca 0.10 -1.79 -0.30 0.00 -2.27 0.00 0.00 64.05 59.79 1og3 n THR 135 Cb 0.47 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 1og3 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og3 n GLY 136 N -0.59 -0.28 0.13 3.38 0.00 -1.26 -4.88 105.19 101.68 1og3 n GLY 136 Ca 0.46 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1og3 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og3 h ALA 137 N 0.86 0.71 0.00 4.61 0.00 -1.92 -3.47 119.26 120.05 1og3 h ALA 137 Ca -0.62 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1og3 h ALA 137 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1og3 h ALA 137 CO 0.69 0.76 0.00 0.41 0.00 0.00 0.00 179.25 181.12 1og3 n GLY 138 N 0.89 1.44 3.67 0.00 0.00 -1.26 -5.07 105.19 104.87 1og3 n GLY 138 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1og3 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1og3 s SER 139 N -1.57 -0.00 -0.03 1.61 1.04 -1.26 -4.77 113.70 108.72 1og3 s SER 139 Ca 0.00 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.44 1og3 s SER 139 Cb 0.00 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1og3 s SER 139 CO 0.00 -1.28 0.11 -0.69 0.98 0.00 0.00 173.24 172.36 1og3 s VAL 140 N -3.66 0.03 0.00 5.02 1.01 -0.80 -4.06 120.40 117.94 1og3 s VAL 140 Ca 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1og3 s VAL 140 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1og3 s VAL 140 CO 0.10 -0.14 -0.05 -0.13 0.00 0.00 0.00 175.10 174.88 1og3 s ARG 141 N -0.44 0.40 0.36 2.72 0.52 -0.65 -0.79 118.95 121.06 1og3 s ARG 141 Ca -0.05 -0.23 0.19 0.00 -0.52 0.00 0.00 55.73 55.11 1og3 s ARG 141 Cb -0.03 -0.36 0.48 0.00 0.52 0.00 0.00 34.95 35.56 1og3 s ARG 141 CO 0.00 0.10 1.64 0.74 0.02 0.00 0.00 175.30 177.80 1og3 h PHE 142 N 5.87 0.00 0.00 -0.53 0.04 -1.75 -3.36 116.94 117.20 1og3 h PHE 142 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1og3 h PHE 142 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1og3 h PHE 142 CO 0.43 0.37 0.00 0.41 -0.60 0.00 0.00 178.31 178.93 1og3 n GLY 143 N 0.65 2.09 3.89 -1.45 0.00 -0.43 -4.88 105.19 105.05 1og3 n GLY 143 Ca 0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1og3 n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1og3 s GLN 144 N 0.00 3.16 0.64 1.61 -2.07 -1.26 -4.15 119.66 117.59 1og3 s GLN 144 Ca 0.00 0.39 -0.17 0.00 -1.82 0.00 0.00 55.36 53.76 1og3 s GLN 144 Cb 0.00 -2.14 -0.01 0.00 -1.09 0.00 0.00 33.01 29.77 1og3 s GLN 144 CO 0.00 -0.72 1.17 -0.06 -1.32 0.00 0.00 175.29 174.35 1og3 s PHE 145 N -3.14 2.41 -0.07 9.60 0.40 -1.26 -3.46 117.98 122.46 1og3 s PHE 145 Ca 0.55 1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 58.40 1og3 s PHE 145 Cb -0.11 -3.35 0.04 0.00 0.51 0.00 0.00 43.02 40.11 1og3 s PHE 145 CO 0.50 -2.06 0.15 -0.08 0.70 0.00 0.00 175.22 174.43 1og3 s THR 146 N -1.95 -0.05 0.42 0.64 -1.32 -0.46 -4.89 115.64 108.03 1og3 s THR 146 Ca 0.73 0.17 -0.06 0.00 -1.21 0.00 0.00 61.69 61.31 1og3 s THR 146 Cb -0.26 -0.25 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 1og3 s THR 146 CO 0.38 0.07 0.73 -0.94 -2.21 0.00 0.00 174.62 172.65 1og3 s SER 147 N 1.12 6.37 0.24 8.08 1.04 -1.26 -1.37 113.70 127.92 1og3 s SER 147 Ca -0.09 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.19 1og3 s SER 147 Cb -0.11 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.80 1og3 s SER 147 CO -0.06 -0.44 0.45 -1.54 0.98 0.00 0.00 173.24 172.62 1og3 n SER 148 N -1.74 -1.29 -3.83 7.02 3.41 -0.93 -4.84 113.62 111.43 1og3 n SER 148 Ca 0.00 -2.06 -0.12 0.00 -0.26 0.00 0.00 58.87 56.44 1og3 n SER 148 Cb 0.55 2.20 -0.12 0.00 -0.26 0.00 0.00 64.21 66.57 1og3 n SER 148 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1og3 s SER 149 N -2.32 -0.11 0.60 4.04 0.15 0.02 -1.51 113.70 114.56 1og3 s SER 149 Ca 0.12 0.19 0.36 0.00 0.70 0.00 0.00 55.95 57.33 1og3 s SER 149 Cb -0.02 0.28 1.87 0.00 -1.71 0.00 0.00 66.02 66.43 1og3 s SER 149 CO 0.09 -0.11 2.19 -0.07 1.20 0.00 0.00 173.24 176.54 1og3 h LEU 150 N 5.62 0.00 -9.14 3.45 3.38 -1.42 -0.11 115.31 117.08 1og3 h LEU 150 Ca -0.26 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.10 1og3 h LEU 150 Cb 1.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 1og3 h LEU 150 CO 0.41 0.03 -0.32 -0.55 0.09 0.00 0.00 178.44 178.10 1og3 s SER 151 N -5.64 6.32 0.40 -0.43 0.15 -1.26 -4.78 113.70 108.47 1og3 s SER 151 Ca -0.03 0.37 0.20 0.00 0.70 0.00 0.00 55.95 57.19 1og3 s SER 151 Cb 0.12 -2.18 0.81 0.00 -1.71 0.00 0.00 66.02 63.06 1og3 s SER 151 CO 0.50 -0.00 1.79 0.50 1.20 0.00 0.00 173.24 177.23 1og3 h LYS 152 N 7.33 0.00 -0.26 5.44 3.64 -1.94 -2.96 116.57 127.83 1og3 h LYS 152 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1og3 h LYS 152 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1og3 h LYS 152 CO 0.70 0.32 0.16 -0.22 -2.27 0.00 0.00 179.45 178.15 1og3 h LYS 153 N 0.00 0.34 0.45 1.90 1.63 -1.95 -2.15 116.57 116.79 1og3 h LYS 153 Ca -0.00 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1og3 h LYS 153 Cb 0.79 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1og3 h LYS 153 CO 0.04 0.25 -0.22 0.28 -3.45 0.00 0.00 179.45 176.35 1og3 h VAL 154 N 0.33 0.55 -0.87 2.00 2.07 -1.90 -2.13 116.25 116.30 1og3 h VAL 154 Ca 0.09 -0.18 0.25 0.00 0.82 0.00 0.00 66.70 67.68 1og3 h VAL 154 Cb -0.02 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1og3 h VAL 154 CO -0.02 0.03 0.66 0.00 0.02 0.00 0.00 177.57 178.26 1og3 h ALA 155 N -0.21 2.79 -0.00 1.67 0.00 -1.44 0.74 119.26 122.81 1og3 h ALA 155 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1og3 h ALA 155 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1og3 h ALA 155 CO 0.10 -1.10 -0.61 1.04 0.00 0.00 0.00 179.25 178.68 1og3 n GLN 156 N -4.17 0.41 -1.55 0.00 6.02 -0.82 -3.38 117.38 113.90 1og3 n GLN 156 Ca 0.18 -0.30 -0.36 0.00 -0.01 0.00 0.00 57.00 56.51 1og3 n GLN 156 Cb 0.96 -1.49 0.09 0.00 1.02 0.00 0.00 30.24 30.82 1og3 n GLN 156 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1og3 s SER 157 N -2.80 4.29 0.00 1.08 1.04 0.25 -4.48 113.70 113.09 1og3 s SER 157 Ca 0.14 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.10 1og3 s SER 157 Cb 0.17 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1og3 s SER 157 CO 0.69 -2.21 0.74 0.00 0.98 0.00 0.00 173.24 173.45 1og3 n GLN 158 N -2.35 0.00 -0.06 4.02 1.13 -1.26 -1.18 117.38 117.68 1og3 n GLN 158 Ca 0.15 0.27 -0.15 0.00 -1.94 0.00 0.00 57.00 55.33 1og3 n GLN 158 Cb 0.49 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 29.18 1og3 n GLN 158 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1og3 h GLU 159 N 0.00 0.70 0.00 -1.09 4.39 -1.88 -3.40 114.58 113.30 1og3 h GLU 159 Ca 0.00 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 1og3 h GLU 159 Cb 0.20 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1og3 h GLU 159 CO 0.00 1.10 -1.12 1.19 -1.16 0.00 0.00 179.01 179.02 1og3 n PHE 160 N -4.14 0.00 -4.33 4.33 3.72 -0.33 -5.06 117.46 111.66 1og3 n PHE 160 Ca -0.06 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.11 1og3 n PHE 160 Cb 0.60 -0.07 -0.08 0.00 -0.94 0.00 0.00 39.48 38.98 1og3 n PHE 160 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1og3 s PHE 161 N -2.10 2.59 -0.02 1.38 2.19 -0.72 -2.03 117.98 119.27 1og3 s PHE 161 Ca -0.01 -0.28 -0.29 0.00 0.33 0.00 0.00 56.93 56.68 1og3 s PHE 161 Cb 0.01 -1.21 0.10 0.00 -1.31 0.00 0.00 43.02 40.61 1og3 s PHE 161 CO 0.09 0.61 0.88 -1.54 1.83 0.00 0.00 175.22 177.08 1og3 s SER 162 N -3.65 -0.40 0.52 6.13 1.04 -1.20 -4.45 113.70 111.69 1og3 s SER 162 Ca 0.32 0.10 0.26 0.00 0.48 0.00 0.00 55.95 57.11 1og3 s SER 162 Cb -0.05 0.39 1.38 0.00 0.10 0.00 0.00 66.02 67.84 1og3 s SER 162 CO 0.19 -0.60 1.96 0.44 0.98 0.00 0.00 173.24 176.21 1og3 h ASP 163 N 2.14 0.05 0.54 7.02 3.32 -1.95 0.47 116.42 128.01 1og3 h ASP 163 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1og3 h ASP 163 Cb 1.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1og3 h ASP 163 CO 0.32 0.02 0.00 1.41 -1.72 0.00 0.00 179.24 179.27 1og3 n HIS 164 N -4.36 0.00 -1.67 4.55 8.25 -1.26 -4.86 115.22 115.87 1og3 n HIS 164 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1og3 n HIS 164 Cb 0.70 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1og3 n HIS 164 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1og3 n GLY 165 N 0.65 3.36 3.06 -1.41 0.00 0.17 -1.83 105.19 109.18 1og3 n GLY 165 Ca 0.09 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 1og3 n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1og3 s THR 166 N 2.33 0.59 -0.28 2.61 2.01 -1.09 -4.55 115.64 117.26 1og3 s THR 166 Ca 0.00 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1og3 s THR 166 Cb 0.00 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 71.94 1og3 s THR 166 CO 0.00 -0.27 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.40 1og3 s LEU 167 N -1.33 3.59 -0.10 4.42 2.96 0.10 -1.24 118.68 127.07 1og3 s LEU 167 Ca -0.07 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 52.45 1og3 s LEU 167 Cb -0.09 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1og3 s LEU 167 CO 0.00 -0.21 0.53 -0.36 -1.32 0.00 0.00 176.35 175.00 1og3 s PHE 168 N 1.23 3.53 -0.36 5.38 0.40 0.10 -1.53 117.98 126.73 1og3 s PHE 168 Ca -0.05 0.98 -0.06 0.00 -0.60 0.00 0.00 56.93 57.21 1og3 s PHE 168 Cb -0.19 -2.61 0.06 0.00 0.51 0.00 0.00 43.02 40.79 1og3 s PHE 168 CO -0.03 0.15 0.14 0.42 0.70 0.00 0.00 175.22 176.61 1og3 s ILE 169 N 0.65 3.68 0.00 0.64 1.01 0.11 -1.39 121.20 125.91 1og3 s ILE 169 Ca 0.29 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.58 1og3 s ILE 169 Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1og3 s ILE 169 CO 0.12 -0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 173.98 1og3 s ILE 170 N 1.34 3.28 -0.32 2.92 1.01 -0.15 -0.40 121.20 128.87 1og3 s ILE 170 Ca 0.01 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1og3 s ILE 170 Cb -0.21 -2.39 0.08 0.00 0.01 0.00 0.00 42.46 39.95 1og3 s ILE 170 CO 0.01 0.41 0.03 -0.75 0.00 0.00 0.00 174.94 174.64 1og3 s LYS 171 N -1.29 1.99 0.11 2.79 2.36 -0.64 -0.65 119.74 124.40 1og3 s LYS 171 Ca 0.15 -1.59 0.09 0.00 -2.55 0.00 0.00 55.97 52.07 1og3 s LYS 171 Cb -0.11 -3.19 -0.04 0.00 -1.05 0.00 0.00 37.83 33.44 1og3 s LYS 171 CO 0.05 -0.80 -0.19 -0.08 1.55 0.00 0.00 175.35 175.89 1og3 s THR 172 N 1.08 2.78 0.00 3.43 -1.32 -0.69 -4.26 115.64 116.66 1og3 s THR 172 Ca 0.02 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 1og3 s THR 172 Cb -0.20 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1og3 s THR 172 CO -0.05 0.14 0.51 0.00 -2.21 0.00 0.00 174.62 173.01 1og3 n LEU 174 N -0.08 0.83 -4.76 0.00 4.77 -1.26 -4.68 117.00 111.82 1og3 n LEU 174 Ca 0.00 -0.78 -0.34 0.00 -0.03 0.00 0.00 56.01 54.85 1og3 n LEU 174 Cb 0.09 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1og3 n LEU 174 CO 0.00 0.18 0.78 -0.83 -1.33 0.00 0.00 177.39 176.20 1og3 s GLY 175 N -0.77 2.45 -0.06 -0.72 0.00 -1.26 -4.52 107.32 102.44 1og3 s GLY 175 Ca 0.03 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.55 1og3 s GLY 175 CO 0.09 1.14 -0.12 0.14 0.00 0.00 0.00 173.10 174.35 1og3 s VAL 176 N -1.97 1.14 -0.33 1.40 1.01 0.22 -4.87 120.40 117.00 1og3 s VAL 176 Ca 0.72 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1og3 s VAL 176 Cb -0.25 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1og3 s VAL 176 CO 0.36 0.35 1.33 -0.47 0.00 0.00 0.00 175.10 176.67 1og3 s TYR 177 N 0.62 2.61 -0.47 5.22 5.04 -1.26 -0.14 117.35 128.97 1og3 s TYR 177 Ca -0.14 0.81 0.06 0.00 -2.44 0.00 0.00 57.07 55.37 1og3 s TYR 177 Cb -0.15 -4.01 0.40 0.00 0.35 0.00 0.00 41.96 38.54 1og3 s TYR 177 CO 0.04 -1.79 1.04 0.44 -1.34 0.00 0.00 175.55 173.93 1og3 n ILE 178 N 6.42 2.38 0.30 3.14 -5.35 -1.04 -4.93 119.36 120.27 1og3 n ILE 178 Ca 0.15 -4.97 -0.17 0.00 -0.27 0.00 0.00 62.75 57.49 1og3 n ILE 178 Cb 0.47 -1.12 -0.09 0.00 -1.74 0.00 0.00 39.64 37.16 1og3 n ILE 178 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1og3 h LYS 179 N 2.75 -0.92 -0.76 6.28 3.64 -1.91 -2.91 116.57 122.74 1og3 h LYS 179 Ca 0.21 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.87 1og3 h LYS 179 Cb 0.82 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1og3 h LYS 179 CO 0.80 -0.61 0.56 1.05 -2.27 0.00 0.00 179.45 178.98 1og3 h GLU 180 N -0.95 0.00 0.02 1.90 4.11 -1.96 -2.08 114.58 115.61 1og3 h GLU 180 Ca -0.07 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.12 1og3 h GLU 180 Cb 0.81 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1og3 h GLU 180 CO -0.01 0.00 -1.01 0.74 0.07 0.00 0.00 179.01 178.80 1og3 h PHE 181 N 0.00 0.74 -3.80 2.06 0.04 -1.93 -3.47 116.94 110.58 1og3 h PHE 181 Ca 0.36 -0.41 -0.48 0.00 2.80 0.00 0.00 57.97 60.23 1og3 h PHE 181 Cb 1.48 -0.08 0.20 0.00 2.20 0.00 0.00 35.95 39.75 1og3 h PHE 181 CO 0.00 1.25 0.13 0.45 -0.60 0.00 0.00 178.31 179.53 1og3 s SER 182 N -7.16 2.02 0.08 2.17 0.15 -0.78 -4.67 113.70 105.50 1og3 s SER 182 Ca -0.07 1.88 0.26 0.00 0.70 0.00 0.00 55.95 58.71 1og3 s SER 182 Cb 0.08 -2.45 0.66 0.00 -1.71 0.00 0.00 66.02 62.60 1og3 s SER 182 CO 0.89 -3.61 1.55 0.49 1.20 0.00 0.00 173.24 173.76 1og3 n PHE 183 N -4.55 0.35 0.00 3.44 3.01 -1.26 -4.66 117.46 113.79 1og3 n PHE 183 Ca 0.08 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1og3 n PHE 183 Cb 0.53 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1og3 n PHE 183 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1og3 n ARG 184 N -1.84 0.00 -3.14 -1.08 1.74 -1.26 -4.98 116.66 106.10 1og3 n ARG 184 Ca 0.05 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 1og3 n ARG 184 Cb 0.39 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.75 1og3 n ARG 184 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1og3 n PRO 185 N 0.00 3.90 0.00 5.56 -0.04 -1.26 -5.03 135.00 138.14 1og3 n PRO 185 Ca 0.00 -4.58 0.00 0.00 -0.04 0.00 0.00 63.50 58.88 1og3 n PRO 185 Cb 0.00 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1og3 n PRO 185 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1og3 n ASP 186 N 1.29 0.77 -0.94 3.54 5.75 -1.26 -4.72 116.55 120.99 1og3 n ASP 186 Ca 0.27 -1.08 0.08 0.00 -0.01 0.00 0.00 54.79 54.05 1og3 n ASP 186 Cb 0.35 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.67 1og3 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1og3 n GLN 187 N -0.04 2.18 -4.27 0.11 6.02 -1.26 -4.96 117.38 115.16 1og3 n GLN 187 Ca 0.00 -1.83 -0.34 0.00 -0.01 0.00 0.00 57.00 54.82 1og3 n GLN 187 Cb 0.10 -1.40 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 1og3 n GLN 187 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1og3 n GLU 188 N 0.99 -0.80 -2.11 -1.09 -0.58 -1.26 -4.45 120.64 111.33 1og3 n GLU 188 Ca 0.17 0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.59 1og3 n GLU 188 Cb 0.43 -3.35 -0.02 0.00 -0.57 0.00 0.00 31.44 27.93 1og3 n GLU 188 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1og3 s ILE 189 N -4.21 2.83 -0.13 -3.67 1.01 -1.26 -1.33 121.20 114.45 1og3 s ILE 189 Ca 0.11 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.51 1og3 s ILE 189 Cb -0.06 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1og3 s ILE 189 CO 0.99 0.14 -0.14 -0.69 0.00 0.00 0.00 174.94 175.25 1og3 s VAL 190 N -0.45 1.49 -0.24 2.92 1.01 -0.57 -2.50 120.40 122.06 1og3 s VAL 190 Ca 0.54 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1og3 s VAL 190 Cb -0.40 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1og3 s VAL 190 CO 0.46 0.44 0.42 -0.22 0.00 0.00 0.00 175.10 176.20 1og3 s LEU 191 N 1.39 4.09 -0.19 3.92 2.96 0.80 -2.18 118.68 129.47 1og3 s LEU 191 Ca 0.02 0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1og3 s LEU 191 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1og3 s LEU 191 CO -0.08 -0.17 0.04 -0.63 -1.32 0.00 0.00 176.35 174.19 1og3 s ILE 192 N 1.81 4.43 0.39 6.68 1.01 -0.47 -0.61 121.20 134.44 1og3 s ILE 192 Ca 0.18 -0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.42 1og3 s ILE 192 Cb -0.15 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 1og3 s ILE 192 CO 0.09 0.44 1.20 -2.16 0.00 0.00 0.00 174.94 174.51 1og3 s PRO 193 N 0.67 4.07 0.23 2.79 0.04 -1.26 -1.36 135.00 140.18 1og3 s PRO 193 Ca 0.02 1.92 0.20 0.00 0.04 0.00 0.00 61.00 63.18 1og3 s PRO 193 Cb -0.14 -2.73 0.92 0.00 0.04 0.00 0.00 34.50 32.59 1og3 s PRO 193 CO 0.02 -0.33 1.61 0.41 0.04 0.00 0.00 177.00 178.74 1og3 n GLY 194 N 0.67 -1.05 0.58 0.56 0.00 -1.22 -2.58 105.19 102.15 1og3 n GLY 194 Ca 0.04 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1og3 n GLY 194 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1og3 n TYR 195 N -2.10 0.05 -2.34 1.61 0.18 -1.26 -1.32 117.16 111.99 1og3 n TYR 195 Ca 0.01 -0.03 -0.39 0.00 1.88 0.00 0.00 57.90 59.37 1og3 n TYR 195 Cb 0.14 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.07 1og3 n TYR 195 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1og3 s GLU 196 N -1.95 4.30 -0.11 -3.48 2.12 -1.07 -4.45 118.70 114.07 1og3 s GLU 196 Ca 0.36 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1og3 s GLU 196 Cb 0.20 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 1og3 s GLU 196 CO 0.32 -0.12 -0.12 0.08 -0.54 0.00 0.00 175.26 174.88 1og3 s VAL 197 N -1.30 3.20 -0.33 3.70 1.01 -0.47 -4.34 120.40 121.86 1og3 s VAL 197 Ca 0.52 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1og3 s VAL 197 Cb -0.32 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1og3 s VAL 197 CO 0.41 0.54 0.16 -0.31 0.00 0.00 0.00 175.10 175.91 1og3 s TYR 198 N -0.01 3.20 -0.09 5.22 2.02 0.03 -0.15 117.35 127.56 1og3 s TYR 198 Ca -0.03 -0.75 0.20 0.00 -0.37 0.00 0.00 57.07 56.13 1og3 s TYR 198 Cb -0.14 -2.37 0.46 0.00 -0.40 0.00 0.00 41.96 39.51 1og3 s TYR 198 CO 0.04 -0.53 1.63 1.96 -1.57 0.00 0.00 175.55 177.07 1og3 h GLN 199 N 8.36 0.00 -4.95 -0.62 4.20 -0.85 -2.12 115.11 119.13 1og3 h GLN 199 Ca -0.30 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.75 1og3 h GLN 199 Cb 1.13 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.61 1og3 h GLN 199 CO 0.63 0.30 -0.74 0.21 -0.67 0.00 0.00 178.83 178.57 1og3 s LYS 200 N -3.27 3.11 -0.11 1.46 2.20 -0.09 -4.74 119.74 118.31 1og3 s LYS 200 Ca 0.03 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1og3 s LYS 200 Cb 0.08 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1og3 s LYS 200 CO 0.69 -0.29 -0.22 0.08 -0.36 0.00 0.00 175.35 175.24 1og3 s VAL 201 N 1.40 1.98 -0.10 4.02 1.01 -1.26 -0.48 120.40 126.97 1og3 s VAL 201 Ca 0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1og3 s VAL 201 Cb -0.15 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.56 1og3 s VAL 201 CO -0.04 0.54 0.20 -0.60 0.00 0.00 0.00 175.10 175.20 1og3 s ARG 202 N 0.48 0.09 -0.05 2.72 3.52 -0.54 -5.01 118.95 120.17 1og3 s ARG 202 Ca -0.16 0.61 -0.16 0.00 -0.13 0.00 0.00 55.73 55.90 1og3 s ARG 202 Cb -0.17 -0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.00 1og3 s ARG 202 CO 0.06 -0.28 0.42 0.99 -0.81 0.00 0.00 175.30 175.68 1og3 s THR 203 N 2.17 5.09 -0.11 4.11 2.01 -1.26 -0.24 115.64 127.41 1og3 s THR 203 Ca 0.01 0.85 -0.00 0.00 0.31 0.00 0.00 61.69 62.85 1og3 s THR 203 Cb -0.12 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1og3 s THR 203 CO -0.07 0.49 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.70 1og3 s GLN 204 N -0.45 1.43 2.62 4.92 0.74 -0.06 -4.99 119.66 123.87 1og3 s GLN 204 Ca 0.24 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1og3 s GLN 204 Cb -0.16 -1.51 0.00 0.00 1.10 0.00 0.00 33.01 32.44 1og3 s GLN 204 CO 0.12 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1og3 n GLY 205 N 4.92 -0.24 0.11 2.59 0.00 -1.26 -2.48 105.19 108.83 1og3 n GLY 205 Ca -0.12 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1og3 n GLY 205 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1og3 h TYR 206 N 0.00 0.00 -0.23 1.61 -1.99 -1.99 -3.41 116.97 110.96 1og3 h TYR 206 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1og3 h TYR 206 Cb 0.00 0.00 -0.37 0.00 2.00 0.00 0.00 36.73 38.36 1og3 h TYR 206 CO 0.00 0.28 -1.03 0.27 -0.00 0.00 0.00 178.16 177.69 1og3 n ASN 207 N -2.80 1.53 -4.09 3.88 0.23 -1.26 -4.95 115.26 107.80 1og3 n ASN 207 Ca -0.04 -2.23 -0.24 0.00 -0.53 0.00 0.00 54.58 51.54 1og3 n ASN 207 Cb 0.69 -0.39 -0.16 0.00 -2.08 0.00 0.00 39.78 37.84 1og3 n ASN 207 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1og3 s GLU 208 N -2.07 1.41 -0.04 -3.83 2.02 -1.03 -0.73 118.70 114.43 1og3 s GLU 208 Ca 0.32 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 1og3 s GLU 208 Cb 0.36 -1.27 0.03 0.00 0.10 0.00 0.00 34.13 33.34 1og3 s GLU 208 CO -0.09 0.23 0.02 0.42 0.02 0.00 0.00 175.26 175.85 1og3 s ILE 209 N -0.01 0.10 -0.17 -1.63 1.01 -0.58 -0.88 121.20 119.04 1og3 s ILE 209 Ca -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1og3 s ILE 209 Cb -0.09 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1og3 s ILE 209 CO 0.01 0.16 0.09 -0.36 0.00 0.00 0.00 174.94 174.84 1og3 s PHE 210 N 1.45 3.35 -0.14 3.97 0.40 0.66 0.07 117.98 127.75 1og3 s PHE 210 Ca -0.04 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1og3 s PHE 210 Cb -0.13 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.37 1og3 s PHE 210 CO -0.03 0.33 -0.17 -0.51 0.70 0.00 0.00 175.22 175.54 1og3 s LEU 211 N -0.01 1.84 0.34 -0.37 1.43 0.47 -1.46 118.68 120.92 1og3 s LEU 211 Ca 0.07 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1og3 s LEU 211 Cb -0.12 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1og3 s LEU 211 CO 0.00 0.01 0.19 -1.81 0.23 0.00 0.00 176.35 174.97 1og3 s ASP 212 N 1.14 1.89 -1.19 2.29 1.01 0.37 -1.63 116.67 120.56 1og3 s ASP 212 Ca -0.02 -1.66 -0.02 0.00 0.71 0.00 0.00 52.55 51.56 1og3 s ASP 212 Cb -0.14 0.49 -0.02 0.00 1.01 0.00 0.00 42.92 44.26 1og3 s ASP 212 CO -0.06 -0.96 0.90 -1.20 0.21 0.00 0.00 175.17 174.05 1og3 n SER 213 N -1.24 -2.98 -4.74 0.27 7.64 -1.26 -0.91 113.62 110.40 1og3 n SER 213 Ca 0.01 -0.71 -0.37 0.00 1.01 0.00 0.00 58.87 58.81 1og3 n SER 213 Cb 0.64 -4.79 0.06 0.00 -1.01 0.00 0.00 64.21 59.11 1og3 n SER 213 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1og3 s PRO 214 N -5.34 2.75 -0.02 1.43 0.04 -1.26 -2.10 135.00 130.50 1og3 s PRO 214 Ca 0.12 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.03 1og3 s PRO 214 Cb -0.02 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1og3 s PRO 214 CO 0.76 -1.46 0.56 0.21 0.04 0.00 0.00 177.00 177.11 1og3 s LYS 215 N -3.23 0.97 -0.25 4.56 2.20 0.79 -4.91 119.74 119.87 1og3 s LYS 215 Ca 0.79 0.06 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 1og3 s LYS 215 Cb -0.38 0.45 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1og3 s LYS 215 CO 0.42 -0.31 0.22 0.50 -0.36 0.00 0.00 175.35 175.83 1og3 s ARG 216 N -1.47 4.04 0.32 4.03 3.52 -1.26 -1.37 118.95 126.76 1og3 s ARG 216 Ca -0.10 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 1og3 s ARG 216 Cb -0.01 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 1og3 s ARG 216 CO 0.06 -0.06 -0.02 0.15 -0.81 0.00 0.00 175.30 174.62 1og3 s LYS 217 N 1.41 1.68 0.75 5.12 1.02 -1.26 -5.02 119.74 123.43 1og3 s LYS 217 Ca 0.10 -1.89 -0.13 0.00 0.02 0.00 0.00 55.97 54.06 1og3 s LYS 217 Cb -0.15 -1.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.98 1og3 s LYS 217 CO 0.07 -0.02 1.14 0.15 -0.92 0.00 0.00 175.35 175.77 1og3 s LYS 218 N -3.75 2.16 0.36 1.68 1.02 -1.26 -4.98 119.74 114.97 1og3 s LYS 218 Ca 0.33 1.48 0.07 0.00 0.02 0.00 0.00 55.97 57.87 1og3 s LYS 218 Cb 0.06 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1og3 s LYS 218 CO 0.14 -1.76 0.45 -1.12 -0.92 0.00 0.00 175.35 172.15 1og3 s SER 219 N -2.62 5.72 0.29 2.83 0.01 -1.26 -5.01 113.70 113.66 1og3 s SER 219 Ca 0.68 -0.33 0.15 0.00 1.31 0.00 0.00 55.95 57.76 1og3 s SER 219 Cb -0.23 -1.01 0.27 0.00 0.21 0.00 0.00 66.02 65.26 1og3 s SER 219 CO 0.49 -0.51 1.54 0.78 0.41 0.00 0.00 173.24 175.95 1og3 h ASN 220 N 0.91 0.00 -4.16 2.44 -0.26 -1.91 -3.43 115.58 109.16 1og3 h ASN 220 Ca -0.44 0.00 -0.69 0.00 -0.56 0.00 0.00 56.30 54.61 1og3 h ASN 220 Cb 1.26 0.00 -0.25 0.00 -1.06 0.00 0.00 38.32 38.28 1og3 h ASN 220 CO 0.52 0.53 -0.83 -0.31 -1.06 0.00 0.00 177.43 176.28 1og3 s TYR 221 N -3.19 2.49 -0.13 1.19 2.02 -1.26 -5.08 117.35 113.39 1og3 s TYR 221 Ca 0.02 -0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1og3 s TYR 221 Cb 0.09 -1.48 0.06 0.00 -0.40 0.00 0.00 41.96 40.23 1og3 s TYR 221 CO 0.73 0.16 0.29 1.21 -1.57 0.00 0.00 175.55 176.38 1og3 s ASN 222 N -1.14 -0.10 -1.65 2.29 2.47 -1.26 -3.96 114.94 111.59 1og3 s ASN 222 Ca 0.13 0.64 -0.15 0.00 0.42 0.00 0.00 52.86 53.89 1og3 s ASN 222 Cb -0.10 0.63 0.13 0.00 -1.45 0.00 0.00 41.25 40.46 1og3 s ASN 222 CO 0.03 -0.20 0.73 0.00 -3.72 0.00 0.00 177.10 173.93 1og3 h LEU 224 N -1.58 0.90 -3.27 0.00 5.85 -2.01 -2.73 115.31 112.47 1og3 h LEU 224 Ca -0.60 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1og3 h LEU 224 Cb 1.38 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1og3 h LEU 224 CO 0.75 0.57 0.00 -1.22 -0.34 0.00 0.00 178.44 178.21 1og3 n TYR 225 N -4.49 1.33 1.98 1.25 4.01 -1.26 -5.26 117.16 114.71 1og3 n TYR 225 Ca 0.14 -0.73 0.16 0.00 -0.16 0.00 0.00 57.90 57.31 1og3 n TYR 225 Cb 0.21 -0.32 0.93 0.00 -0.31 0.00 0.00 39.34 39.86 1og3 n TYR 225 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27