#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og4 s LEU 5 N 0.00 3.33 0.11 1.53 1.43 0.11 -4.94 118.68 120.25 1og4 s LEU 5 Ca 0.00 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1og4 s LEU 5 Cb 0.00 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1og4 s LEU 5 CO 0.00 0.08 0.78 -0.04 0.23 0.00 0.00 176.35 177.40 1og4 s MET 6 N -3.01 4.54 -0.33 1.70 -1.94 -1.26 -0.19 119.30 118.82 1og4 s MET 6 Ca 0.28 1.13 0.02 0.00 -1.71 0.00 0.00 55.69 55.41 1og4 s MET 6 Cb -0.09 -3.31 0.09 0.00 2.01 0.00 0.00 34.83 33.53 1og4 s MET 6 CO 0.19 0.44 0.03 -1.17 -0.01 0.00 0.00 175.02 174.49 1og4 s LEU 7 N -0.64 4.42 0.00 -0.03 1.98 -0.01 -4.85 118.68 119.55 1og4 s LEU 7 Ca 0.37 -1.86 0.00 0.00 -2.89 0.00 0.00 54.13 49.76 1og4 s LEU 7 Cb -0.22 -1.65 0.00 0.00 0.66 0.00 0.00 46.19 44.98 1og4 s LEU 7 CO 0.25 -0.34 0.00 -0.90 -1.89 0.00 0.00 176.35 173.47 1og4 n ASP 8 N 4.39 0.00 -0.44 3.68 5.68 -1.26 -2.32 116.55 126.27 1og4 n ASP 8 Ca -0.03 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.33 1og4 n ASP 8 Cb 0.42 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.69 1og4 n ASP 8 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1og4 n THR 9 N 0.00 0.24 -3.61 2.12 -2.24 -1.26 -1.50 114.28 108.03 1og4 n THR 9 Ca 0.00 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 1og4 n THR 9 Cb 0.00 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1og4 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1og4 n ALA 10 N 0.14 -2.58 0.27 6.98 0.00 -1.26 -4.54 120.51 119.52 1og4 n ALA 10 Ca 0.13 -0.21 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1og4 n ALA 10 Cb 0.24 -3.39 0.75 0.00 0.00 0.00 0.00 19.45 17.06 1og4 n ALA 10 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1og4 h PRO 11 N -1.38 0.00 -0.49 0.00 0.13 -1.96 -3.03 132.00 125.28 1og4 h PRO 11 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1og4 h PRO 11 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1og4 h PRO 11 CO 0.44 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 1og4 n ASN 12 N -3.44 3.53 -4.76 1.44 3.02 -1.26 -4.98 115.26 108.81 1og4 n ASN 12 Ca -0.01 -2.13 -0.39 0.00 -0.03 0.00 0.00 54.58 52.02 1og4 n ASN 12 Cb 0.25 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1og4 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1og4 s ALA 13 N -1.24 3.48 -0.24 5.41 0.00 -1.15 -1.98 121.76 126.04 1og4 s ALA 13 Ca 0.36 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1og4 s ALA 13 Cb 0.20 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1og4 s ALA 13 CO 0.22 0.16 1.74 0.12 0.00 0.00 0.00 175.76 177.99 1og4 s PHE 14 N -0.17 1.89 -0.13 0.00 5.36 -0.48 -4.83 117.98 119.62 1og4 s PHE 14 Ca 0.32 0.51 0.15 0.00 -0.96 0.00 0.00 56.93 56.95 1og4 s PHE 14 Cb -0.18 -4.05 0.29 0.00 -0.34 0.00 0.00 43.02 38.74 1og4 s PHE 14 CO 0.18 -3.18 1.15 -0.40 -1.46 0.00 0.00 175.22 171.51 1og4 n ASP 15 N 9.22 1.91 -4.53 6.13 5.75 -1.26 -4.86 116.55 128.91 1og4 n ASP 15 Ca 0.21 -3.11 -0.55 0.00 -0.01 0.00 0.00 54.79 51.33 1og4 n ASP 15 Cb 0.45 -0.42 -0.07 0.00 -1.03 0.00 0.00 41.12 40.06 1og4 n ASP 15 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1og4 n ASP 16 N -1.14 0.49 -0.00 -1.12 -0.08 -1.26 -4.79 116.55 108.64 1og4 n ASP 16 Ca 0.15 1.14 0.06 0.00 -1.51 0.00 0.00 54.79 54.63 1og4 n ASP 16 Cb 0.68 -1.02 -0.07 0.00 2.34 0.00 0.00 41.12 43.04 1og4 n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1og4 n GLN 17 N 1.77 3.06 -3.42 -0.67 6.02 -1.26 -5.01 117.38 117.87 1og4 n GLN 17 Ca 0.19 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.99 1og4 n GLN 17 Cb 0.14 -1.06 0.08 0.00 1.02 0.00 0.00 30.24 30.42 1og4 n GLN 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1og4 n TYR 18 N -1.29 -2.33 -2.50 1.08 4.01 -1.26 -4.95 117.16 109.92 1og4 n TYR 18 Ca 0.02 0.91 -0.43 0.00 -0.16 0.00 0.00 57.90 58.24 1og4 n TYR 18 Cb 0.19 -4.84 -0.02 0.00 -0.31 0.00 0.00 39.34 34.35 1og4 n TYR 18 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1og4 s GLU 19 N -5.68 4.18 0.00 -0.72 2.02 -1.26 -3.12 118.70 114.13 1og4 s GLU 19 Ca 0.23 1.49 0.00 0.00 0.02 0.00 0.00 54.97 56.71 1og4 s GLU 19 Cb -0.10 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.38 1og4 s GLU 19 CO 0.68 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.61 1og4 n GLY 20 N 3.65 0.60 0.38 -1.39 0.00 -1.26 -4.83 105.19 102.34 1og4 n GLY 20 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1og4 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og4 h VAL 22 N 5.55 1.24 -0.25 0.00 -1.51 -1.92 0.08 116.25 119.44 1og4 h VAL 22 Ca 0.00 -0.64 -0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1og4 h VAL 22 Cb 1.21 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 1og4 h VAL 22 CO 0.00 0.28 0.14 0.78 -1.23 0.00 0.00 177.57 177.54 1og4 h ASN 23 N 1.11 0.30 0.26 4.19 2.35 -1.94 0.11 115.58 121.95 1og4 h ASN 23 Ca 0.27 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1og4 h ASN 23 Cb 0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1og4 h ASN 23 CO -0.04 0.28 -0.33 0.50 -1.65 0.00 0.00 177.43 176.19 1og4 h LYS 24 N 0.30 0.11 -0.00 0.81 1.63 -1.84 -3.03 116.57 114.55 1og4 h LYS 24 Ca 0.09 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1og4 h LYS 24 Cb 0.04 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1og4 h LYS 24 CO -0.02 0.44 -0.01 0.52 -3.45 0.00 0.00 179.45 176.93 1og4 h MET 25 N 0.10 0.01 -0.11 1.90 2.86 -0.49 -1.52 114.93 117.68 1og4 h MET 25 Ca 0.01 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1og4 h MET 25 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1og4 h MET 25 CO 0.05 0.68 0.40 0.93 1.06 0.00 0.00 176.91 180.03 1og4 h GLU 26 N -0.65 0.00 0.04 1.72 4.39 -0.76 1.42 114.58 120.74 1og4 h GLU 26 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1og4 h GLU 26 Cb 0.68 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 1og4 h GLU 26 CO 0.00 0.00 -2.06 -1.91 -1.16 0.00 0.00 179.01 173.88 1og4 n GLU 27 N -3.07 0.69 0.03 2.33 2.13 -1.15 -4.46 120.64 117.14 1og4 n GLU 27 Ca 0.01 0.21 0.05 0.00 0.66 0.00 0.00 57.16 58.09 1og4 n GLU 27 Cb 0.48 -1.67 -0.09 0.00 0.27 0.00 0.00 31.44 30.43 1og4 n GLU 27 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1og4 n LYS 28 N -3.18 0.64 0.00 5.31 4.81 0.31 -4.35 118.16 121.69 1og4 n LYS 28 Ca -0.30 0.05 0.03 0.00 -0.87 0.00 0.00 58.31 57.22 1og4 n LYS 28 Cb 1.06 -1.70 0.40 0.00 0.02 0.00 0.00 35.03 34.81 1og4 n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1og4 h ALA 29 N 1.71 1.65 -0.86 3.14 0.00 0.16 -2.43 119.26 122.63 1og4 h ALA 29 Ca -0.11 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1og4 h ALA 29 Cb 1.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1og4 h ALA 29 CO 0.02 0.30 0.57 -1.35 0.00 0.00 0.00 179.25 178.78 1og4 h PRO 30 N 0.54 1.06 -0.07 0.00 0.11 -1.79 0.11 132.00 131.96 1og4 h PRO 30 Ca 0.14 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.94 1og4 h PRO 30 Cb 0.00 -0.24 0.02 0.00 0.11 0.00 0.00 31.00 30.89 1og4 h PRO 30 CO -0.03 0.70 -0.92 -0.07 -0.21 0.00 0.00 178.00 177.47 1og4 h LEU 31 N 1.09 0.93 -1.29 2.35 3.38 -1.77 -3.19 115.31 116.80 1og4 h LEU 31 Ca 0.34 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1og4 h LEU 31 Cb -0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1og4 h LEU 31 CO -0.09 1.48 0.49 -0.07 0.09 0.00 0.00 178.44 180.33 1og4 h LEU 32 N 0.46 0.82 -0.81 1.67 3.38 -0.90 -1.81 115.31 118.12 1og4 h LEU 32 Ca -0.09 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1og4 h LEU 32 Cb 1.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1og4 h LEU 32 CO 0.18 0.58 0.28 0.25 0.09 0.00 0.00 178.44 179.83 1og4 h LEU 33 N 0.96 1.08 -0.61 1.67 5.85 -0.81 0.60 115.31 124.04 1og4 h LEU 33 Ca 0.28 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1og4 h LEU 33 Cb -0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1og4 h LEU 33 CO -0.07 0.97 0.25 -0.61 -0.34 0.00 0.00 178.44 178.64 1og4 h GLN 34 N 1.13 0.92 -0.53 1.25 4.15 -1.35 -0.50 115.11 120.17 1og4 h GLN 34 Ca 0.25 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1og4 h GLN 34 Cb 0.25 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1og4 h GLN 34 CO -0.02 0.77 0.05 0.93 -1.93 0.00 0.00 178.83 178.63 1og4 h GLU 35 N 0.86 0.86 -0.43 1.69 5.08 -0.74 -0.73 114.58 121.16 1og4 h GLU 35 Ca 0.21 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1og4 h GLU 35 Cb 0.20 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1og4 h GLU 35 CO -0.02 0.83 0.16 -0.44 -1.00 0.00 0.00 179.01 178.54 1og4 h ASP 36 N 0.81 0.60 -0.40 1.42 3.32 -0.43 -3.09 116.42 118.66 1og4 h ASP 36 Ca 0.16 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1og4 h ASP 36 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1og4 h ASP 36 CO 0.01 0.62 0.23 -0.26 -1.72 0.00 0.00 179.24 178.12 1og4 h PHE 37 N 0.55 0.54 0.00 4.55 -1.00 -0.64 -1.71 116.94 119.23 1og4 h PHE 37 Ca 0.14 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1og4 h PHE 37 Cb 0.21 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1og4 h PHE 37 CO 0.00 0.40 0.04 0.09 -1.61 0.00 0.00 178.31 177.23 1og4 n ASN 38 N -4.75 0.32 -0.98 2.17 3.02 -0.32 -1.94 115.26 112.79 1og4 n ASN 38 Ca 0.00 0.63 0.04 0.00 -0.03 0.00 0.00 54.58 55.22 1og4 n ASN 38 Cb 0.07 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 38.63 1og4 n ASN 38 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1og4 n MET 39 N -1.93 0.38 -2.75 3.52 2.81 -0.88 -4.93 117.12 113.34 1og4 n MET 39 Ca -0.01 -2.03 -0.04 0.00 -1.81 0.00 0.00 57.70 53.81 1og4 n MET 39 Cb 0.05 -0.53 0.01 0.00 -0.71 0.00 0.00 33.22 32.05 1og4 n MET 39 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1og4 n ASN 40 N -0.07 -3.32 -0.11 7.83 2.85 -0.70 -4.93 115.26 116.83 1og4 n ASN 40 Ca 0.08 -2.81 -0.05 0.00 -0.11 0.00 0.00 54.58 51.68 1og4 n ASN 40 Cb 0.92 1.70 0.02 0.00 1.24 0.00 0.00 39.78 43.65 1og4 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1og4 h ALA 41 N 4.90 0.34 -0.69 5.20 0.00 -1.87 -2.13 119.26 125.02 1og4 h ALA 41 Ca 0.05 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.19 1og4 h ALA 41 Cb 1.11 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1og4 h ALA 41 CO 0.02 -0.39 0.22 0.87 0.00 0.00 0.00 179.25 179.97 1og4 h LYS 42 N 0.11 0.35 -0.00 0.00 1.57 -1.96 -1.21 116.57 115.43 1og4 h LYS 42 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1og4 h LYS 42 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1og4 h LYS 42 CO -0.29 0.23 0.00 1.25 -0.57 0.00 0.00 179.45 180.07 1og4 h LEU 43 N 0.36 0.00 -0.41 2.94 5.85 -1.82 0.17 115.31 122.40 1og4 h LEU 43 Ca 0.37 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1og4 h LEU 43 Cb 0.56 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1og4 h LEU 43 CO -0.41 0.19 -0.13 0.50 -0.34 0.00 0.00 178.44 178.25 1og4 h LYS 44 N -0.18 -0.04 -0.22 1.25 3.64 -0.76 0.56 116.57 120.83 1og4 h LYS 44 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1og4 h LYS 44 Cb 0.18 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1og4 h LYS 44 CO -0.00 -0.03 0.12 0.28 -2.27 0.00 0.00 179.45 177.56 1og4 h VAL 45 N -0.04 1.10 -0.70 2.00 2.07 -1.12 0.14 116.25 119.70 1og4 h VAL 45 Ca 0.20 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1og4 h VAL 45 Cb 0.35 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1og4 h VAL 45 CO -0.45 0.10 0.42 0.00 0.02 0.00 0.00 177.57 177.67 1og4 h ALA 46 N 1.01 0.94 0.00 1.67 0.00 0.05 -1.77 119.26 121.16 1og4 h ALA 46 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1og4 h ALA 46 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1og4 h ALA 46 CO -0.01 0.15 -0.00 2.35 0.00 0.00 0.00 179.25 181.74 1og4 h TRP 47 N 0.80 -0.00 -0.99 0.00 2.91 0.42 -1.53 115.95 117.56 1og4 h TRP 47 Ca 0.30 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.47 1og4 h TRP 47 Cb 0.10 0.00 -0.10 0.00 -0.51 0.00 0.00 29.16 28.66 1og4 h TRP 47 CO -0.05 0.32 0.60 0.93 -1.03 0.00 0.00 178.44 179.21 1og4 h GLU 48 N -0.32 0.83 -0.31 2.65 5.08 -0.44 0.22 114.58 122.29 1og4 h GLU 48 Ca -0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1og4 h GLU 48 Cb 0.32 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1og4 h GLU 48 CO 0.00 0.55 -0.31 0.93 -1.00 0.00 0.00 179.01 179.18 1og4 h GLU 49 N 0.86 0.76 -0.52 2.33 5.08 -1.25 -3.08 114.58 118.76 1og4 h GLU 49 Ca 0.53 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1og4 h GLU 49 Cb 0.69 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1og4 h GLU 49 CO -0.33 1.03 0.16 0.00 -1.00 0.00 0.00 179.01 178.87 1og4 h ALA 50 N 0.72 1.31 -1.00 3.43 0.00 -0.01 -2.47 119.26 121.23 1og4 h ALA 50 Ca 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1og4 h ALA 50 Cb 0.89 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1og4 h ALA 50 CO 0.08 0.50 0.67 -0.22 0.00 0.00 0.00 179.25 180.27 1og4 h LYS 51 N 0.75 1.31 -0.18 0.00 1.63 -0.57 0.94 116.57 120.46 1og4 h LYS 51 Ca 0.17 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1og4 h LYS 51 Cb 0.22 -0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1og4 h LYS 51 CO -0.01 0.87 0.04 0.87 -3.45 0.00 0.00 179.45 177.77 1og4 h LYS 52 N 1.35 0.29 -0.30 1.90 1.57 -1.38 -1.54 116.57 118.46 1og4 h LYS 52 Ca 0.37 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1og4 h LYS 52 Cb -0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1og4 h LYS 52 CO -0.08 0.43 0.20 -0.09 -0.57 0.00 0.00 179.45 179.33 1og4 h ARG 53 N 0.10 0.39 -0.64 3.15 9.65 -1.20 -2.65 114.38 123.19 1og4 h ARG 53 Ca 0.06 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.02 1og4 h ARG 53 Cb 0.27 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.68 1og4 h ARG 53 CO 0.00 0.26 0.25 2.35 2.80 0.00 0.00 179.97 185.63 1og4 h TRP 54 N 0.40 0.44 -0.98 2.20 2.91 -0.64 0.01 115.95 120.29 1og4 h TRP 54 Ca 0.11 0.03 0.14 0.00 1.13 0.00 0.00 58.89 60.30 1og4 h TRP 54 Cb -0.04 -0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 28.43 1og4 h TRP 54 CO -0.06 0.11 0.62 -0.91 -1.03 0.00 0.00 178.44 177.16 1og4 h ASN 55 N 0.43 0.84 0.62 2.65 2.35 -0.92 0.29 115.58 121.84 1og4 h ASN 55 Ca 0.33 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.98 1og4 h ASN 55 Cb 0.42 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1og4 h ASN 55 CO -0.32 0.42 -0.72 0.78 -1.65 0.00 0.00 177.43 175.93 1og4 h ASN 56 N 0.89 0.11 0.08 5.81 2.35 -0.91 -3.31 115.58 120.60 1og4 h ASN 56 Ca 0.50 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 56.03 1og4 h ASN 56 Cb 0.62 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.98 1og4 h ASN 56 CO -0.27 0.79 -0.63 0.40 -1.65 0.00 0.00 177.43 176.07 1og4 h ILE 57 N 0.06 1.53 -0.97 2.81 2.04 -0.04 -3.39 117.51 119.56 1og4 h ILE 57 Ca -0.01 -2.37 0.29 0.00 1.00 0.00 0.00 64.86 63.77 1og4 h ILE 57 Cb 1.28 3.06 -0.18 0.00 -0.74 0.00 0.00 36.82 40.24 1og4 h ILE 57 CO 0.10 0.67 0.10 1.17 0.00 0.00 0.00 178.15 180.19 1og4 n LYS 58 N -4.23 -0.07 0.23 2.37 4.81 0.87 -1.70 118.16 120.43 1og4 n LYS 58 Ca -0.12 1.43 0.07 0.00 -0.87 0.00 0.00 58.31 58.82 1og4 n LYS 58 Cb 0.72 -2.32 0.54 0.00 0.02 0.00 0.00 35.03 33.99 1og4 n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1og4 h PRO 59 N 0.00 0.00 0.00 1.64 0.11 -1.75 -3.22 132.00 128.78 1og4 h PRO 59 Ca 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.71 1og4 h PRO 59 Cb 1.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 1og4 h PRO 59 CO -0.88 0.21 -0.11 0.66 -0.21 0.00 0.00 178.00 177.67 1og4 h SER 60 N 0.00 0.00 -5.40 -2.05 4.64 -1.58 -3.46 113.55 105.70 1og4 h SER 60 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1og4 h SER 60 Cb 0.41 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.38 1og4 h SER 60 CO 0.03 0.11 -0.36 -0.13 -0.87 0.00 0.00 176.83 175.61 1og4 s ARG 61 N -3.77 1.36 0.13 4.77 0.52 -1.22 -5.16 118.95 115.58 1og4 s ARG 61 Ca -0.00 -1.42 0.03 0.00 -0.52 0.00 0.00 55.73 53.82 1og4 s ARG 61 Cb 0.10 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.91 1og4 s ARG 61 CO 0.58 -0.51 0.21 -1.54 0.02 0.00 0.00 175.30 174.06 1og4 s SER 62 N -3.08 6.08 0.17 0.23 1.04 -1.26 -4.92 113.70 111.96 1og4 s SER 62 Ca 0.30 0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.91 1og4 s SER 62 Cb 0.03 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.33 1og4 s SER 62 CO 0.10 0.09 -0.16 -0.31 0.98 0.00 0.00 173.24 173.94 1og4 s TYR 63 N -1.66 1.72 0.47 5.02 1.51 -1.26 -5.12 117.35 118.03 1og4 s TYR 63 Ca 0.33 -0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 1og4 s TYR 63 Cb -0.11 -0.84 -0.12 0.00 -0.11 0.00 0.00 41.96 40.78 1og4 s TYR 63 CO 0.27 0.31 0.49 -2.30 -1.11 0.00 0.00 175.55 173.21 1og4 n PRO 64 N 0.08 0.52 -1.67 -1.71 -0.02 -1.26 -4.78 135.00 126.15 1og4 n PRO 64 Ca -0.12 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 1og4 n PRO 64 Cb 0.58 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 1og4 n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1og4 n LYS 65 N 0.49 2.73 0.00 -0.52 3.00 -1.26 -0.74 118.16 121.85 1og4 n LYS 65 Ca 0.11 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.42 1og4 n LYS 65 Cb 0.42 -2.92 0.00 0.00 0.00 0.00 0.00 35.03 32.54 1og4 n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1og4 n GLY 66 N 4.40 0.24 3.55 3.14 0.00 -1.26 -5.02 105.19 110.24 1og4 n GLY 66 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1og4 n GLY 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1og4 s PHE 67 N -2.00 2.39 0.54 1.61 2.19 0.08 -4.99 117.98 117.80 1og4 s PHE 67 Ca 0.00 -0.39 -0.02 0.00 0.33 0.00 0.00 56.93 56.85 1og4 s PHE 67 Cb 0.00 -4.65 0.11 0.00 -1.31 0.00 0.00 43.02 37.17 1og4 s PHE 67 CO 0.00 -2.02 0.74 0.27 1.83 0.00 0.00 175.22 176.04 1og4 n ASN 68 N 9.15 0.80 0.24 6.13 0.23 -1.26 -4.88 115.26 125.67 1og4 n ASN 68 Ca 0.15 -1.72 0.09 0.00 -0.53 0.00 0.00 54.58 52.57 1og4 n ASN 68 Cb 0.50 -0.49 0.61 0.00 -2.08 0.00 0.00 39.78 38.31 1og4 n ASN 68 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1og4 h ASP 69 N -0.55 0.00 -0.11 0.53 3.32 -1.98 -1.92 116.42 115.71 1og4 h ASP 69 Ca -0.24 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1og4 h ASP 69 Cb 0.85 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1og4 h ASP 69 CO 0.24 0.18 0.04 -0.26 -1.72 0.00 0.00 179.24 177.71 1og4 h PHE 70 N 0.00 0.17 0.11 4.55 0.04 -1.98 0.31 116.94 120.15 1og4 h PHE 70 Ca -0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1og4 h PHE 70 Cb 0.40 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1og4 h PHE 70 CO 0.00 0.30 -0.05 0.45 -0.60 0.00 0.00 178.31 178.41 1og4 h HIS 71 N -0.01 -0.14 0.00 -0.55 3.86 -1.74 0.09 115.15 116.67 1og4 h HIS 71 Ca 0.03 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1og4 h HIS 71 Cb 0.21 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1og4 h HIS 71 CO -0.00 -0.08 -0.13 0.78 0.86 0.00 0.00 177.93 179.36 1og4 h GLY 72 N -0.16 -0.16 1.00 2.45 0.00 -1.24 -1.88 103.07 103.08 1og4 h GLY 72 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1og4 h GLY 72 CO 0.03 -0.13 0.36 -0.84 0.00 0.00 0.00 176.54 175.96 1og4 h THR 73 N -0.22 1.20 -0.57 4.70 2.02 -0.27 -1.73 112.91 118.05 1og4 h THR 73 Ca 0.04 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1og4 h THR 73 Cb 0.27 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1og4 h THR 73 CO -0.12 0.22 0.34 0.00 0.37 0.00 0.00 175.52 176.33 1og4 h ALA 74 N 1.18 0.74 -0.41 6.16 0.00 -0.76 0.16 119.26 126.32 1og4 h ALA 74 Ca 0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1og4 h ALA 74 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1og4 h ALA 74 CO -0.04 0.05 -0.17 1.25 0.00 0.00 0.00 179.25 180.33 1og4 h LEU 75 N 0.66 0.79 -0.34 0.00 5.85 -1.12 -1.43 115.31 119.72 1og4 h LEU 75 Ca 0.23 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1og4 h LEU 75 Cb 0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1og4 h LEU 75 CO -0.11 0.96 -0.08 0.58 -0.34 0.00 0.00 178.44 179.45 1og4 h VAL 76 N 0.70 1.28 -0.81 1.05 2.07 -0.86 -3.01 116.25 116.66 1og4 h VAL 76 Ca 0.11 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1og4 h VAL 76 Cb 0.68 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1og4 h VAL 76 CO 0.05 0.37 0.48 0.00 0.02 0.00 0.00 177.57 178.49 1og4 h ALA 77 N 0.81 1.33 -0.96 1.67 0.00 -0.79 -2.50 119.26 118.83 1og4 h ALA 77 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1og4 h ALA 77 Cb 0.58 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1og4 h ALA 77 CO 0.03 0.58 0.64 -0.92 0.00 0.00 0.00 179.25 179.58 1og4 h TYR 78 N 1.12 1.21 0.00 0.00 3.20 -1.13 0.47 116.97 121.83 1og4 h TYR 78 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1og4 h TYR 78 Cb -0.04 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 37.82 1og4 h TYR 78 CO 0.00 0.76 0.00 0.25 -1.64 0.00 0.00 178.16 177.53 1og4 n THR 79 N -4.42 0.00 -1.73 1.81 -2.24 -0.95 -4.18 114.28 102.58 1og4 n THR 79 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1og4 n THR 79 Cb 0.02 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1og4 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og4 n GLY 80 N 0.17 1.72 0.07 3.38 0.00 0.17 -4.53 105.19 106.17 1og4 n GLY 80 Ca 0.05 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.21 1og4 n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1og4 n SER 81 N 0.00 0.47 0.18 1.61 3.41 -1.26 -3.68 113.62 114.35 1og4 n SER 81 Ca 0.00 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1og4 n SER 81 Cb 0.00 -0.01 0.42 0.00 -0.26 0.00 0.00 64.21 64.36 1og4 n SER 81 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1og4 h ILE 82 N 0.34 0.00 -0.70 -1.33 6.09 -1.86 -3.33 117.51 116.72 1og4 h ILE 82 Ca 0.00 -0.57 0.13 0.00 -1.37 0.00 0.00 64.86 63.05 1og4 h ILE 82 Cb 0.46 1.52 -0.09 0.00 0.47 0.00 0.00 36.82 39.17 1og4 h ILE 82 CO 0.00 0.00 0.23 0.00 -3.07 0.00 0.00 178.15 175.31 1og4 h ALA 83 N 2.21 0.92 0.61 0.18 0.00 -1.72 -2.21 119.26 119.26 1og4 h ALA 83 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1og4 h ALA 83 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1og4 h ALA 83 CO 0.00 -0.25 -0.30 0.28 0.00 0.00 0.00 179.25 178.98 1og4 h VAL 84 N 0.37 0.38 0.00 0.00 2.07 -1.86 -0.79 116.25 116.41 1og4 h VAL 84 Ca 0.38 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.87 1og4 h VAL 84 Cb 0.57 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1og4 h VAL 84 CO -0.41 0.00 -0.13 -0.78 0.02 0.00 0.00 177.57 176.27 1og4 h ASP 85 N -0.83 0.00 -0.10 0.57 1.82 -1.79 -2.02 116.42 114.07 1og4 h ASP 85 Ca -0.08 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.44 1og4 h ASP 85 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1og4 h ASP 85 CO 0.13 0.13 -0.41 0.15 -1.61 0.00 0.00 179.24 177.64 1og4 h PHE 86 N 0.00 0.61 -0.75 0.28 3.57 -1.14 -1.84 116.94 117.67 1og4 h PHE 86 Ca -0.00 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 1og4 h PHE 86 Cb 0.29 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1og4 h PHE 86 CO 0.00 1.01 0.32 -0.91 -2.23 0.00 0.00 178.31 176.50 1og4 h ASN 87 N 0.03 1.02 -0.56 0.41 2.35 -0.91 -1.60 115.58 116.32 1og4 h ASN 87 Ca -0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1og4 h ASN 87 Cb 1.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 1og4 h ASN 87 CO 0.09 0.90 0.35 -0.09 -1.65 0.00 0.00 177.43 177.03 1og4 h ARG 88 N 1.07 0.75 -0.67 0.81 1.12 -1.36 0.15 114.38 116.24 1og4 h ARG 88 Ca 0.25 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 59.01 1og4 h ARG 88 Cb 0.18 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 1og4 h ARG 88 CO -0.02 0.52 0.20 0.00 -3.11 0.00 0.00 179.97 177.55 1og4 h ALA 89 N 1.19 1.07 -0.14 2.80 0.00 -0.97 -2.06 119.26 121.16 1og4 h ALA 89 Ca 0.20 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1og4 h ALA 89 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1og4 h ALA 89 CO -0.04 0.62 -0.32 0.28 0.00 0.00 0.00 179.25 179.80 1og4 h VAL 90 N 1.00 1.37 -0.98 0.00 2.07 -0.92 -2.97 116.25 115.81 1og4 h VAL 90 Ca 0.22 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 66.16 1og4 h VAL 90 Cb 0.30 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1og4 h VAL 90 CO -0.01 0.48 0.65 -0.09 0.02 0.00 0.00 177.57 178.62 1og4 h ARG 91 N 0.06 1.26 -0.84 1.57 2.43 -0.61 -1.20 114.38 117.06 1og4 h ARG 91 Ca -0.00 -0.08 -0.51 0.00 -0.81 0.00 0.00 59.98 58.58 1og4 h ARG 91 Cb 0.92 -0.28 -0.28 0.00 -0.42 0.00 0.00 29.97 29.91 1og4 h ARG 91 CO 0.07 0.83 0.41 0.39 -1.51 0.00 0.00 179.97 180.16 1og4 n GLU 92 N -4.42 2.47 0.46 0.20 1.02 -0.78 -4.02 120.64 115.57 1og4 n GLU 92 Ca 0.12 -3.28 -0.18 0.00 -0.02 0.00 0.00 57.16 53.80 1og4 n GLU 92 Cb 0.05 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.23 1og4 n GLU 92 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1og4 h PHE 93 N 1.48 -1.10 -1.02 -0.32 3.57 -1.32 -3.16 116.94 115.08 1og4 h PHE 93 Ca 0.51 -0.03 0.27 0.00 3.53 0.00 0.00 57.97 62.26 1og4 h PHE 93 Cb 1.76 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 40.79 1og4 h PHE 93 CO 1.34 -0.68 0.70 -0.22 -2.23 0.00 0.00 178.31 177.22 1og4 h LYS 94 N -1.28 0.21 0.00 1.11 3.64 -1.69 -1.14 116.57 117.42 1og4 h LYS 94 Ca -0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1og4 h LYS 94 Cb 0.91 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1og4 h LYS 94 CO 0.20 0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.91 1og4 n GLU 95 N -4.43 0.00 -3.46 1.90 4.71 -1.19 -4.14 120.64 114.04 1og4 n GLU 95 Ca 0.23 0.31 -0.27 0.00 -0.01 0.00 0.00 57.16 57.43 1og4 n GLU 95 Cb 0.95 -1.07 -0.08 0.00 -1.01 0.00 0.00 31.44 30.23 1og4 n GLU 95 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1og4 n ASN 96 N -1.00 3.28 0.00 1.62 6.94 -1.15 -4.95 115.26 120.01 1og4 n ASN 96 Ca 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.23 1og4 n ASN 96 Cb 0.00 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 36.74 1og4 n ASN 96 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1og4 n PRO 97 N 1.06 0.00 0.04 -0.53 -0.04 -0.44 -1.85 135.00 133.23 1og4 n PRO 97 Ca 0.28 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1og4 n PRO 97 Cb 0.41 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.78 1og4 n PRO 97 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1og4 n GLY 98 N -0.46 -1.20 2.28 0.55 0.00 -1.26 -4.33 105.19 100.78 1og4 n GLY 98 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1og4 n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1og4 n GLN 99 N -2.33 3.01 -3.42 1.61 1.13 -0.77 -4.91 117.38 111.70 1og4 n GLN 99 Ca -0.01 -3.63 -0.44 0.00 -1.94 0.00 0.00 57.00 50.98 1og4 n GLN 99 Cb 0.53 -2.28 -0.06 0.00 0.11 0.00 0.00 30.24 28.54 1og4 n GLN 99 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1og4 s PHE 100 N -3.77 3.36 -0.76 1.08 5.36 -1.26 -4.94 117.98 117.05 1og4 s PHE 100 Ca 0.59 -1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 54.95 1og4 s PHE 100 Cb 0.47 -3.66 0.37 0.00 -0.34 0.00 0.00 43.02 39.85 1og4 s PHE 100 CO -0.03 -1.00 1.86 0.72 -1.46 0.00 0.00 175.22 175.31 1og4 n HIS 101 N 5.00 3.07 -2.33 10.12 8.25 -1.26 -4.19 115.22 133.87 1og4 n HIS 101 Ca -0.09 -2.50 0.02 0.00 -0.26 0.00 0.00 57.72 54.89 1og4 n HIS 101 Cb 0.41 -1.01 0.01 0.00 1.12 0.00 0.00 29.99 30.52 1og4 n HIS 101 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1og4 n TYR 102 N -0.55 0.00 0.21 4.41 4.01 -1.26 -4.77 117.16 119.21 1og4 n TYR 102 Ca 0.52 -0.36 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 1og4 n TYR 102 Cb 0.34 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.21 1og4 n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1og4 h LYS 103 N 0.67 -0.55 -0.22 -0.72 1.57 -1.89 0.38 116.57 115.79 1og4 h LYS 103 Ca -0.18 0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.47 1og4 h LYS 103 Cb 1.73 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1og4 h LYS 103 CO 0.05 -0.37 -0.53 0.00 -0.57 0.00 0.00 179.45 178.04 1og4 h ALA 104 N 0.04 0.36 -0.26 3.86 0.00 -1.86 -3.00 119.26 118.39 1og4 h ALA 104 Ca -0.03 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1og4 h ALA 104 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1og4 h ALA 104 CO 0.02 0.56 0.05 0.35 0.00 0.00 0.00 179.25 180.23 1og4 h PHE 105 N 0.48 0.09 -0.34 0.00 3.57 -1.89 -1.25 116.94 117.61 1og4 h PHE 105 Ca -0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1og4 h PHE 105 Cb 1.14 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1og4 h PHE 105 CO 0.08 0.03 0.13 1.25 -2.23 0.00 0.00 178.31 177.57 1og4 h HIS 106 N 0.15 0.23 0.01 0.41 2.76 -0.29 -1.46 115.15 116.96 1og4 h HIS 106 Ca 0.12 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1og4 h HIS 106 Cb 0.12 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1og4 h HIS 106 CO -0.16 0.10 -0.09 -0.92 -1.30 0.00 0.00 177.93 175.57 1og4 h TYR 107 N 0.27 -0.22 -0.76 5.26 3.20 -1.31 -0.83 116.97 122.59 1og4 h TYR 107 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1og4 h TYR 107 Cb 0.11 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1og4 h TYR 107 CO -0.13 -0.13 0.43 1.88 -1.64 0.00 0.00 178.16 178.56 1og4 h TYR 108 N -0.15 1.03 -0.49 -3.82 0.05 -1.04 0.24 116.97 112.78 1og4 h TYR 108 Ca 0.03 -0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.66 1og4 h TYR 108 Cb 0.19 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1og4 h TYR 108 CO -0.15 0.71 -0.20 1.25 -1.05 0.00 0.00 178.16 178.73 1og4 h LEU 109 N 1.04 1.02 -0.38 3.88 5.85 -1.19 0.75 115.31 126.28 1og4 h LEU 109 Ca 0.27 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1og4 h LEU 109 Cb 0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1og4 h LEU 109 CO -0.05 1.18 0.18 0.74 -0.34 0.00 0.00 178.44 180.15 1og4 h THR 110 N 0.86 1.17 -0.51 1.05 2.02 -0.77 -2.38 112.91 114.35 1og4 h THR 110 Ca 0.11 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1og4 h THR 110 Cb 0.78 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1og4 h THR 110 CO 0.06 0.19 -0.07 -0.09 0.37 0.00 0.00 175.52 175.98 1og4 h ARG 111 N 0.48 0.92 -0.38 6.66 9.65 -0.36 -2.41 114.38 128.94 1og4 h ARG 111 Ca 0.13 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.74 1og4 h ARG 111 Cb 0.13 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1og4 h ARG 111 CO -0.02 0.96 0.17 0.00 2.80 0.00 0.00 179.97 183.88 1og4 h ALA 112 N 1.08 0.46 -0.36 2.80 0.00 -0.61 -0.47 119.26 122.16 1og4 h ALA 112 Ca 0.14 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1og4 h ALA 112 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1og4 h ALA 112 CO 0.04 -0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 178.87 1og4 h LEU 113 N 0.35 0.63 -0.43 0.00 3.38 -1.27 -1.82 115.31 116.15 1og4 h LEU 113 Ca 0.17 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1og4 h LEU 113 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1og4 h LEU 113 CO -0.14 0.79 -0.28 1.56 0.09 0.00 0.00 178.44 180.46 1og4 h GLN 114 N 0.58 0.94 -0.20 1.13 4.20 -1.01 0.36 115.11 121.11 1og4 h GLN 114 Ca 0.10 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 1og4 h GLN 114 Cb 0.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1og4 h GLN 114 CO 0.04 1.11 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.98 1og4 h LEU 115 N 0.77 0.36 -0.25 1.46 3.38 -0.95 -2.67 115.31 117.42 1og4 h LEU 115 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1og4 h LEU 115 Cb 0.87 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1og4 h LEU 115 CO 0.08 0.62 -0.39 0.18 0.09 0.00 0.00 178.44 179.02 1og4 n LEU 116 N -4.14 0.77 -4.78 1.67 4.77 -0.70 -4.82 117.00 109.77 1og4 n LEU 116 Ca -0.01 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.47 1og4 n LEU 116 Cb 0.38 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1og4 n LEU 116 CO 0.41 0.16 0.71 -0.55 -1.33 0.00 0.00 177.39 176.79 1og4 s SER 117 N -2.75 6.93 0.00 -1.43 0.15 0.10 -4.92 113.70 111.79 1og4 s SER 117 Ca 0.18 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1og4 s SER 117 Cb 0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1og4 s SER 117 CO 0.61 -0.36 0.00 0.59 1.20 0.00 0.00 173.24 175.28 1og4 n ASN 118 N 0.09 1.06 0.12 5.45 5.03 -1.26 -5.00 115.26 120.76 1og4 n ASN 118 Ca 0.04 -0.89 0.01 0.00 0.87 0.00 0.00 54.58 54.61 1og4 n ASN 118 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1og4 n ASN 118 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1og4 h GLY 119 N 0.00 0.00 -5.41 7.41 0.00 -1.98 -3.46 103.07 99.64 1og4 h GLY 119 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1og4 h GLY 119 CO 0.00 0.00 0.09 1.22 0.00 0.00 0.00 176.54 177.85 1og4 n ASP 120 N -3.21 0.07 -4.67 0.19 9.92 -1.26 -4.88 116.55 112.71 1og4 n ASP 120 Ca 0.01 1.03 -0.29 0.00 -0.53 0.00 0.00 54.79 55.01 1og4 n ASP 120 Cb 0.77 -0.82 -0.08 0.00 -0.64 0.00 0.00 41.12 40.35 1og4 n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1og4 s HIS 122 N -1.41 1.17 -0.40 0.00 3.76 0.14 -4.96 115.29 113.59 1og4 s HIS 122 Ca 0.26 -0.93 -0.09 0.00 -0.15 0.00 0.00 55.06 54.14 1og4 s HIS 122 Cb -0.11 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 32.99 1og4 s HIS 122 CO 0.18 -0.12 0.22 -1.12 -0.85 0.00 0.00 174.74 173.05 1og4 s SER 123 N -3.15 5.59 0.39 1.40 0.01 -1.26 -1.32 113.70 115.36 1og4 s SER 123 Ca 0.20 -1.38 0.08 0.00 1.31 0.00 0.00 55.95 56.16 1og4 s SER 123 Cb 0.05 -1.97 -0.06 0.00 0.21 0.00 0.00 66.02 64.25 1og4 s SER 123 CO 0.02 -0.48 0.08 0.68 0.41 0.00 0.00 173.24 173.95 1og4 s VAL 124 N 1.43 2.34 0.04 3.43 -7.23 0.43 -4.63 120.40 116.21 1og4 s VAL 124 Ca 0.02 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1og4 s VAL 124 Cb -0.22 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 1og4 s VAL 124 CO 0.03 -0.07 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.35 1og4 s TYR 125 N -2.60 0.76 -0.05 2.82 1.51 0.90 -1.23 117.35 119.47 1og4 s TYR 125 Ca 0.37 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1og4 s TYR 125 Cb 0.04 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1og4 s TYR 125 CO 0.20 -0.05 0.09 0.50 -1.11 0.00 0.00 175.55 175.19 1og4 s ARG 126 N -1.42 0.01 0.09 -0.62 3.52 -0.66 -0.21 118.95 119.66 1og4 s ARG 126 Ca -0.07 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.90 1og4 s ARG 126 Cb -0.09 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.00 1og4 s ARG 126 CO 0.01 -0.21 0.04 0.20 -0.81 0.00 0.00 175.30 174.53 1og4 s GLY 127 N 1.42 1.95 0.16 8.12 0.00 -1.21 -0.17 107.32 117.59 1og4 s GLY 127 Ca -0.06 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 1og4 s GLY 127 CO -0.04 -1.06 0.13 -0.51 0.00 0.00 0.00 173.10 171.61 1og4 s THR 128 N -1.37 0.06 -0.36 0.90 -4.23 -0.36 -4.48 115.64 105.79 1og4 s THR 128 Ca 0.28 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1og4 s THR 128 Cb -0.12 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.62 1og4 s THR 128 CO 0.20 -0.26 0.98 0.29 -0.54 0.00 0.00 174.62 175.29 1og4 n LYS 129 N -0.18 2.12 -4.71 3.99 5.02 -1.18 -2.99 118.16 120.23 1og4 n LYS 129 Ca -0.03 -1.46 -0.33 0.00 -2.02 0.00 0.00 58.31 54.48 1og4 n LYS 129 Cb 0.64 -1.09 -0.16 0.00 -0.02 0.00 0.00 35.03 34.40 1og4 n LYS 129 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1og4 s THR 130 N -0.83 2.33 0.13 -0.18 2.01 -1.26 -3.58 115.64 114.26 1og4 s THR 130 Ca 0.07 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 1og4 s THR 130 Cb 0.04 -1.95 -0.08 0.00 0.01 0.00 0.00 72.50 70.52 1og4 s THR 130 CO 0.05 0.54 1.41 -0.60 -0.69 0.00 0.00 174.62 175.33 1og4 s ARG 131 N 0.72 4.31 -0.16 4.92 6.06 -0.75 -3.79 118.95 130.26 1og4 s ARG 131 Ca -0.08 2.12 -0.06 0.00 -2.50 0.00 0.00 55.73 55.21 1og4 s ARG 131 Cb -0.16 -3.22 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 1og4 s ARG 131 CO 0.01 -0.45 0.02 -0.06 -2.50 0.00 0.00 175.30 172.33 1og4 s PHE 132 N 0.98 3.17 -0.24 5.12 0.40 -1.26 0.05 117.98 126.21 1og4 s PHE 132 Ca 0.64 -0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.91 1og4 s PHE 132 Cb -0.38 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.16 1og4 s PHE 132 CO 0.31 0.14 -0.04 -1.01 0.70 0.00 0.00 175.22 175.33 1og4 s HIS 133 N 0.19 3.02 -0.14 0.36 3.76 0.74 -4.91 115.29 118.30 1og4 s HIS 133 Ca 0.02 -1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 53.45 1og4 s HIS 133 Cb -0.13 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 1og4 s HIS 133 CO 0.01 -0.63 1.28 -0.47 -0.85 0.00 0.00 174.74 174.09 1og4 s TYR 134 N 1.42 2.83 -0.31 1.40 5.04 -1.26 -0.83 117.35 125.65 1og4 s TYR 134 Ca 0.03 0.98 0.03 0.00 -2.44 0.00 0.00 57.07 55.68 1og4 s TYR 134 Cb -0.15 -3.52 0.41 0.00 0.35 0.00 0.00 41.96 39.05 1og4 s TYR 134 CO -0.03 -1.79 1.50 0.25 -1.34 0.00 0.00 175.55 174.13 1og4 n THR 135 N 5.29 2.20 -3.98 4.34 -2.24 -0.98 -4.92 114.28 113.99 1og4 n THR 135 Ca 0.14 -1.09 -0.28 0.00 -2.27 0.00 0.00 64.05 60.55 1og4 n THR 135 Cb 0.45 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 1og4 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og4 n GLY 136 N -0.34 -0.31 0.13 3.38 0.00 -1.26 -4.90 105.19 101.89 1og4 n GLY 136 Ca 0.33 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1og4 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og4 h ALA 137 N 0.87 0.87 0.00 4.61 0.00 -1.92 -3.47 119.26 120.23 1og4 h ALA 137 Ca -0.61 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1og4 h ALA 137 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1og4 h ALA 137 CO 0.66 0.78 0.00 0.41 0.00 0.00 0.00 179.25 181.10 1og4 n GLY 138 N 0.45 1.04 3.57 0.00 0.00 -1.26 -5.06 105.19 103.92 1og4 n GLY 138 Ca -0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1og4 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1og4 s SER 139 N -0.65 0.69 -0.04 1.61 1.04 -1.26 -4.72 113.70 110.37 1og4 s SER 139 Ca 0.00 -1.39 -0.09 0.00 0.48 0.00 0.00 55.95 54.94 1og4 s SER 139 Cb 0.00 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.84 1og4 s SER 139 CO 0.00 -1.39 0.21 -0.69 0.98 0.00 0.00 173.24 172.35 1og4 s VAL 140 N -2.89 0.04 0.00 5.02 1.01 -0.67 -4.20 120.40 118.72 1og4 s VAL 140 Ca 0.27 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1og4 s VAL 140 Cb -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1og4 s VAL 140 CO 0.18 -0.19 -0.03 -0.13 0.00 0.00 0.00 175.10 174.93 1og4 s ARG 141 N -0.73 0.24 0.42 2.72 0.52 -0.56 -0.22 118.95 121.33 1og4 s ARG 141 Ca -0.08 -0.20 0.23 0.00 -0.52 0.00 0.00 55.73 55.16 1og4 s ARG 141 Cb -0.05 -0.17 0.50 0.00 0.52 0.00 0.00 34.95 35.76 1og4 s ARG 141 CO 0.02 0.04 1.65 0.74 0.02 0.00 0.00 175.30 177.77 1og4 h PHE 142 N 5.80 0.00 0.00 -0.53 0.04 -1.76 -3.37 116.94 117.13 1og4 h PHE 142 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1og4 h PHE 142 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1og4 h PHE 142 CO 0.46 0.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.72 1og4 n GLY 143 N 0.85 2.10 3.88 -1.45 0.00 -0.17 -4.85 105.19 105.55 1og4 n GLY 143 Ca 0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1og4 n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1og4 s GLN 144 N 0.00 3.42 0.53 1.61 -2.07 -1.26 -3.97 119.66 117.91 1og4 s GLN 144 Ca 0.00 0.52 -0.22 0.00 -1.82 0.00 0.00 55.36 53.84 1og4 s GLN 144 Cb 0.00 -2.16 -0.05 0.00 -1.09 0.00 0.00 33.01 29.71 1og4 s GLN 144 CO 0.00 -0.57 1.32 -0.06 -1.32 0.00 0.00 175.29 174.66 1og4 s PHE 145 N -3.09 2.41 -0.07 9.60 0.40 -1.26 -3.57 117.98 122.41 1og4 s PHE 145 Ca 0.54 1.41 0.01 0.00 -0.60 0.00 0.00 56.93 58.28 1og4 s PHE 145 Cb -0.11 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.73 1og4 s PHE 145 CO 0.51 -2.60 -0.06 0.99 0.70 0.00 0.00 175.22 174.76 1og4 s THR 146 N -1.35 0.74 -0.02 0.64 2.01 -0.14 -4.90 115.64 112.61 1og4 s THR 146 Ca 0.70 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.40 1og4 s THR 146 Cb -0.38 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1og4 s THR 146 CO 0.45 0.29 0.29 -0.94 -0.69 0.00 0.00 174.62 174.02 1og4 s SER 147 N 1.15 6.58 0.05 3.53 1.04 -1.26 0.06 113.70 124.85 1og4 s SER 147 Ca -0.07 0.68 0.01 0.00 0.48 0.00 0.00 55.95 57.06 1og4 s SER 147 Cb -0.14 -2.14 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 1og4 s SER 147 CO -0.01 0.31 0.03 -1.54 0.98 0.00 0.00 173.24 173.01 1og4 n SER 148 N 1.54 0.07 -3.91 7.02 3.41 -0.48 -4.83 113.62 116.44 1og4 n SER 148 Ca -0.14 -1.29 -0.10 0.00 -0.26 0.00 0.00 58.87 57.07 1og4 n SER 148 Cb 0.53 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.58 1og4 n SER 148 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1og4 s SER 149 N -1.31 0.10 0.45 4.04 0.15 0.70 -1.57 113.70 116.26 1og4 s SER 149 Ca 0.05 -0.28 0.25 0.00 0.70 0.00 0.00 55.95 56.67 1og4 s SER 149 Cb 0.00 0.16 0.83 0.00 -1.71 0.00 0.00 66.02 65.30 1og4 s SER 149 CO 0.03 -0.30 1.78 -0.07 1.20 0.00 0.00 173.24 175.88 1og4 h LEU 150 N 4.62 0.00 -8.89 3.45 3.38 -1.59 0.26 115.31 116.54 1og4 h LEU 150 Ca -0.31 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.03 1og4 h LEU 150 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 1og4 h LEU 150 CO 0.41 0.16 -0.21 -0.55 0.09 0.00 0.00 178.44 178.34 1og4 s SER 151 N -6.10 6.26 0.33 -0.43 0.15 -1.26 -4.81 113.70 107.84 1og4 s SER 151 Ca 0.02 0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1og4 s SER 151 Cb 0.09 -2.22 0.58 0.00 -1.71 0.00 0.00 66.02 62.76 1og4 s SER 151 CO 0.63 -0.24 1.80 0.50 1.20 0.00 0.00 173.24 177.13 1og4 h LYS 152 N 8.24 0.32 -0.95 5.44 3.64 -1.94 -2.58 116.57 128.74 1og4 h LYS 152 Ca -0.31 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1og4 h LYS 152 Cb 1.15 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1og4 h LYS 152 CO 0.67 0.54 0.58 -0.22 -2.27 0.00 0.00 179.45 178.75 1og4 h LYS 153 N 0.29 1.28 0.18 1.90 3.64 -1.97 -1.77 116.57 120.13 1og4 h LYS 153 Ca 0.05 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1og4 h LYS 153 Cb 0.56 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1og4 h LYS 153 CO 0.04 0.89 -0.08 0.28 -2.27 0.00 0.00 179.45 178.30 1og4 h VAL 154 N 1.31 0.91 -0.21 2.00 2.07 -1.86 -0.82 116.25 119.65 1og4 h VAL 154 Ca 0.34 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1og4 h VAL 154 Cb -0.07 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1og4 h VAL 154 CO -0.07 0.09 0.20 0.00 0.02 0.00 0.00 177.57 177.82 1og4 h ALA 155 N 0.36 1.91 0.00 1.67 0.00 -1.30 -1.17 119.26 120.73 1og4 h ALA 155 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1og4 h ALA 155 Cb 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1og4 h ALA 155 CO 0.04 -0.31 -1.06 1.04 0.00 0.00 0.00 179.25 178.97 1og4 n GLN 156 N -3.95 0.61 -1.28 0.00 6.02 -0.69 -3.35 117.38 114.74 1og4 n GLN 156 Ca 0.02 0.14 -0.37 0.00 -0.01 0.00 0.00 57.00 56.78 1og4 n GLN 156 Cb 0.33 -1.83 0.06 0.00 1.02 0.00 0.00 30.24 29.83 1og4 n GLN 156 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1og4 n SER 157 N -2.70 -1.55 0.00 1.08 3.41 -0.34 -4.39 113.62 109.13 1og4 n SER 157 Ca -0.01 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.21 1og4 n SER 157 Cb 0.59 -1.16 0.07 0.00 -0.26 0.00 0.00 64.21 63.44 1og4 n SER 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1og4 n GLN 158 N -0.34 0.10 0.10 4.33 1.13 -1.26 -1.84 117.38 119.60 1og4 n GLN 158 Ca 0.10 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.97 1og4 n GLN 158 Cb 0.50 -1.35 -0.15 0.00 0.11 0.00 0.00 30.24 29.35 1og4 n GLN 158 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1og4 h GLU 159 N 0.00 0.33 0.00 -1.09 4.39 -1.87 -3.41 114.58 112.92 1og4 h GLU 159 Ca 0.00 -0.57 -0.04 0.00 0.34 0.00 0.00 59.36 59.10 1og4 h GLU 159 Cb 0.00 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1og4 h GLU 159 CO 0.00 1.24 -1.14 1.19 -1.16 0.00 0.00 179.01 179.14 1og4 n PHE 160 N -3.55 0.00 -4.06 4.33 3.72 -0.77 -5.07 117.46 112.07 1og4 n PHE 160 Ca -0.14 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.03 1og4 n PHE 160 Cb 1.05 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 39.44 1og4 n PHE 160 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1og4 s PHE 161 N -2.05 2.76 -0.00 1.38 2.19 -0.85 -2.29 117.98 119.11 1og4 s PHE 161 Ca -0.01 -0.35 -0.29 0.00 0.33 0.00 0.00 56.93 56.60 1og4 s PHE 161 Cb 0.01 -1.64 0.10 0.00 -1.31 0.00 0.00 43.02 40.18 1og4 s PHE 161 CO 0.08 0.33 1.10 -1.54 1.83 0.00 0.00 175.22 177.02 1og4 s SER 162 N -3.86 -0.17 0.38 6.13 1.04 -1.17 -4.45 113.70 111.60 1og4 s SER 162 Ca 0.38 -0.16 0.09 0.00 0.48 0.00 0.00 55.95 56.74 1og4 s SER 162 Cb -0.03 0.29 0.85 0.00 0.10 0.00 0.00 66.02 67.23 1og4 s SER 162 CO 0.23 -0.52 1.94 0.44 0.98 0.00 0.00 173.24 176.32 1og4 h ASP 163 N 2.00 0.57 0.62 7.02 3.32 -1.94 0.12 116.42 128.12 1og4 h ASP 163 Ca -0.23 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1og4 h ASP 163 Cb 1.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1og4 h ASP 163 CO 0.27 0.34 0.00 1.41 -1.72 0.00 0.00 179.24 179.54 1og4 n HIS 164 N -4.49 0.65 -1.66 4.55 8.25 -1.26 -4.84 115.22 116.42 1og4 n HIS 164 Ca 0.12 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1og4 n HIS 164 Cb 0.33 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1og4 n HIS 164 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1og4 n GLY 165 N -0.14 1.75 3.08 -1.41 0.00 0.41 -1.81 105.19 107.08 1og4 n GLY 165 Ca 0.02 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1og4 n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1og4 s THR 166 N 2.06 0.66 -0.26 2.61 2.01 -1.16 -4.58 115.64 116.97 1og4 s THR 166 Ca 0.00 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1og4 s THR 166 Cb 0.00 -0.69 0.05 0.00 0.01 0.00 0.00 72.50 71.87 1og4 s THR 166 CO 0.00 -0.30 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.33 1og4 s LEU 167 N -1.47 3.44 -0.04 4.42 2.96 0.13 -1.22 118.68 126.90 1og4 s LEU 167 Ca -0.07 -1.24 -0.22 0.00 -0.22 0.00 0.00 54.13 52.38 1og4 s LEU 167 Cb -0.09 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 1og4 s LEU 167 CO 0.01 -0.19 0.63 -0.36 -1.32 0.00 0.00 176.35 175.12 1og4 s PHE 168 N 1.19 3.62 -0.35 5.38 0.40 0.76 -1.84 117.98 127.14 1og4 s PHE 168 Ca -0.06 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.44 1og4 s PHE 168 Cb -0.19 -2.69 0.07 0.00 0.51 0.00 0.00 43.02 40.72 1og4 s PHE 168 CO -0.04 0.22 0.10 0.42 0.70 0.00 0.00 175.22 176.62 1og4 s ILE 169 N 0.30 3.27 -0.06 0.64 1.01 -0.04 -1.65 121.20 124.67 1og4 s ILE 169 Ca 0.33 -1.59 0.04 0.00 0.00 0.00 0.00 60.65 59.43 1og4 s ILE 169 Cb -0.18 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 1og4 s ILE 169 CO 0.17 -0.35 -0.17 -0.63 0.00 0.00 0.00 174.94 173.96 1og4 s ILE 170 N 1.24 2.79 -0.33 2.92 1.01 -0.36 -1.02 121.20 127.44 1og4 s ILE 170 Ca 0.01 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1og4 s ILE 170 Cb -0.21 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1og4 s ILE 170 CO -0.01 0.58 0.10 -0.75 0.00 0.00 0.00 174.94 174.86 1og4 s LYS 171 N -0.48 2.68 0.16 2.79 2.20 -0.81 -0.43 119.74 125.86 1og4 s LYS 171 Ca 0.06 -1.14 0.10 0.00 -0.36 0.00 0.00 55.97 54.63 1og4 s LYS 171 Cb -0.12 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1og4 s LYS 171 CO 0.01 -0.64 -0.18 -0.08 -0.36 0.00 0.00 175.35 174.10 1og4 s THR 172 N 1.42 2.73 0.00 3.43 -1.32 -0.43 -4.33 115.64 117.13 1og4 s THR 172 Ca -0.01 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 58.72 1og4 s THR 172 Cb -0.19 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 1og4 s THR 172 CO 0.03 -0.03 0.17 0.00 -2.21 0.00 0.00 174.62 172.57 1og4 n LEU 174 N -0.30 0.53 -4.76 0.00 4.77 -1.26 -4.61 117.00 111.37 1og4 n LEU 174 Ca 0.00 -0.51 -0.39 0.00 -0.03 0.00 0.00 56.01 55.09 1og4 n LEU 174 Cb 0.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1og4 n LEU 174 CO 0.00 0.13 0.94 -0.83 -1.33 0.00 0.00 177.39 176.30 1og4 s GLY 175 N -2.01 2.88 -0.01 -0.72 0.00 -1.26 -4.63 107.32 101.57 1og4 s GLY 175 Ca 0.04 1.19 0.08 0.00 0.00 0.00 0.00 44.72 46.03 1og4 s GLY 175 CO 0.44 1.72 -0.26 0.14 0.00 0.00 0.00 173.10 175.15 1og4 s VAL 176 N -1.34 2.08 -0.41 1.40 1.01 0.47 -4.87 120.40 118.73 1og4 s VAL 176 Ca 0.62 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1og4 s VAL 176 Cb -0.36 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1og4 s VAL 176 CO 0.45 0.56 1.21 -0.47 0.00 0.00 0.00 175.10 176.85 1og4 s TYR 177 N -0.64 2.77 -0.33 5.22 5.04 -1.26 0.08 117.35 128.23 1og4 s TYR 177 Ca 0.10 0.81 0.07 0.00 -2.44 0.00 0.00 57.07 55.61 1og4 s TYR 177 Cb -0.10 -4.21 0.47 0.00 0.35 0.00 0.00 41.96 38.47 1og4 s TYR 177 CO -0.01 -1.40 1.39 0.44 -1.34 0.00 0.00 175.55 174.63 1og4 n ILE 178 N 6.64 2.63 -0.13 3.14 -5.35 -0.84 -4.77 119.36 120.68 1og4 n ILE 178 Ca 0.13 -3.46 -0.07 0.00 -0.27 0.00 0.00 62.75 59.09 1og4 n ILE 178 Cb 0.48 -0.75 0.02 0.00 -1.74 0.00 0.00 39.64 37.65 1og4 n ILE 178 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1og4 h LYS 179 N 1.61 0.46 0.00 6.28 3.64 -1.91 -1.86 116.57 124.78 1og4 h LYS 179 Ca 0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1og4 h LYS 179 Cb 1.40 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1og4 h LYS 179 CO 0.63 0.30 0.00 0.39 -2.27 0.00 0.00 179.45 178.51 1og4 n GLU 180 N -4.87 0.08 -0.11 1.90 -0.58 -1.26 -3.03 120.64 112.77 1og4 n GLU 180 Ca 0.02 0.48 -0.14 0.00 -0.42 0.00 0.00 57.16 57.10 1og4 n GLU 180 Cb 0.07 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.12 1og4 n GLU 180 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1og4 n PHE 181 N -1.85 0.00 -1.28 -0.32 3.72 -0.74 -5.02 117.46 111.96 1og4 n PHE 181 Ca 0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 1og4 n PHE 181 Cb 0.08 -0.92 0.10 0.00 -0.94 0.00 0.00 39.48 37.80 1og4 n PHE 181 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1og4 s SER 182 N -5.90 4.25 0.14 4.37 0.15 -0.94 -4.62 113.70 111.14 1og4 s SER 182 Ca -0.23 2.04 0.22 0.00 0.70 0.00 0.00 55.95 58.68 1og4 s SER 182 Cb 0.07 -2.55 0.88 0.00 -1.71 0.00 0.00 66.02 62.71 1og4 s SER 182 CO 0.64 -2.21 1.67 0.49 1.20 0.00 0.00 173.24 175.03 1og4 n PHE 183 N -3.28 0.50 0.00 3.44 3.01 -1.26 -4.33 117.46 115.54 1og4 n PHE 183 Ca 0.11 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.75 1og4 n PHE 183 Cb 0.52 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1og4 n PHE 183 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1og4 n ARG 184 N -1.94 0.00 -1.28 -1.08 1.74 -1.26 -4.95 116.66 107.88 1og4 n ARG 184 Ca 0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 1og4 n ARG 184 Cb 0.26 -0.09 0.13 0.00 -1.02 0.00 0.00 32.46 31.73 1og4 n ARG 184 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1og4 n PRO 185 N 0.00 2.50 0.00 5.56 -0.04 -1.26 -4.97 135.00 136.79 1og4 n PRO 185 Ca 0.00 -3.33 0.13 0.00 -0.04 0.00 0.00 63.50 60.26 1og4 n PRO 185 Cb 0.00 -2.14 0.44 0.00 -0.04 0.00 0.00 33.50 31.76 1og4 n PRO 185 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1og4 n ASP 186 N -1.00 0.72 -0.19 3.54 5.75 -1.26 -3.80 116.55 120.31 1og4 n ASP 186 Ca 0.52 -0.63 0.06 0.00 -0.01 0.00 0.00 54.79 54.73 1og4 n ASP 186 Cb 1.07 0.06 0.26 0.00 -1.03 0.00 0.00 41.12 41.48 1og4 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1og4 n GLN 187 N -0.91 1.25 -3.95 0.11 6.02 -1.26 -4.91 117.38 113.72 1og4 n GLN 187 Ca 0.12 -0.38 -0.29 0.00 -0.01 0.00 0.00 57.00 56.43 1og4 n GLN 187 Cb 0.32 -1.20 -0.04 0.00 1.02 0.00 0.00 30.24 30.34 1og4 n GLN 187 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1og4 n GLU 188 N -0.30 -0.71 -2.53 -1.09 -0.58 -1.25 -4.53 120.64 109.65 1og4 n GLU 188 Ca 0.09 0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.46 1og4 n GLU 188 Cb 0.12 -2.30 -0.04 0.00 -0.57 0.00 0.00 31.44 28.65 1og4 n GLU 188 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1og4 s ALA 189 N -3.99 3.13 -0.12 0.62 0.00 -1.26 -1.79 121.76 118.35 1og4 s ALA 189 Ca 0.16 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 1og4 s ALA 189 Cb -0.09 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1og4 s ALA 189 CO 0.76 -0.22 -0.09 0.08 0.00 0.00 0.00 175.76 176.29 1og4 s VAL 190 N -1.59 1.14 -0.14 0.00 1.01 -0.61 -1.99 120.40 118.23 1og4 s VAL 190 Ca 0.56 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 1og4 s VAL 190 Cb -0.24 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1og4 s VAL 190 CO 0.30 0.39 0.60 -0.22 0.00 0.00 0.00 175.10 176.16 1og4 s LEU 191 N 1.62 4.23 -0.17 3.92 2.96 0.11 -1.38 118.68 129.97 1og4 s LEU 191 Ca 0.04 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 1og4 s LEU 191 Cb -0.13 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1og4 s LEU 191 CO -0.08 -0.14 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.12 1og4 s ILE 192 N 1.21 3.64 0.45 6.68 1.01 0.11 -0.40 121.20 133.90 1og4 s ILE 192 Ca 0.30 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 1og4 s ILE 192 Cb -0.16 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 1og4 s ILE 192 CO 0.12 0.47 1.24 -2.16 0.00 0.00 0.00 174.94 174.62 1og4 s PRO 193 N 0.69 3.75 0.00 2.79 0.04 -1.26 -0.97 135.00 140.04 1og4 s PRO 193 Ca -0.03 1.98 0.14 0.00 0.04 0.00 0.00 61.00 63.13 1og4 s PRO 193 Cb -0.15 -2.52 0.66 0.00 0.04 0.00 0.00 34.50 32.53 1og4 s PRO 193 CO 0.02 -0.62 1.38 0.41 0.04 0.00 0.00 177.00 178.23 1og4 n GLY 194 N 0.59 -0.80 1.19 0.56 0.00 -1.23 -2.74 105.19 102.76 1og4 n GLY 194 Ca 0.06 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1og4 n GLY 194 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1og4 n TYR 195 N -1.35 0.73 -2.62 1.61 0.18 -1.26 -1.00 117.16 113.46 1og4 n TYR 195 Ca 0.06 -0.37 -0.40 0.00 1.88 0.00 0.00 57.90 59.07 1og4 n TYR 195 Cb 0.12 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.03 1og4 n TYR 195 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1og4 s GLU 196 N -1.27 4.74 -0.13 -3.48 2.12 -1.11 -4.45 118.70 115.12 1og4 s GLU 196 Ca 0.43 1.64 -0.02 0.00 0.36 0.00 0.00 54.97 57.37 1og4 s GLU 196 Cb 0.23 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1og4 s GLU 196 CO 0.31 0.36 -0.07 0.08 -0.54 0.00 0.00 175.26 175.40 1og4 s VAL 197 N -1.19 3.64 -0.40 3.70 1.01 -0.19 -4.32 120.40 122.64 1og4 s VAL 197 Ca 0.43 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 1og4 s VAL 197 Cb -0.29 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1og4 s VAL 197 CO 0.36 0.52 0.24 -0.31 0.00 0.00 0.00 175.10 175.91 1og4 s TYR 198 N 0.16 3.28 -1.16 5.22 2.02 0.69 0.12 117.35 127.69 1og4 s TYR 198 Ca -0.03 -1.23 0.22 0.00 -0.37 0.00 0.00 57.07 55.65 1og4 s TYR 198 Cb -0.14 -2.72 1.00 0.00 -0.40 0.00 0.00 41.96 39.69 1og4 s TYR 198 CO 0.03 -0.76 1.70 1.04 -1.57 0.00 0.00 175.55 176.00 1og4 n GLN 199 N 4.97 0.12 -3.91 -0.62 6.02 -0.62 -1.67 117.38 121.67 1og4 n GLN 199 Ca -0.11 0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1og4 n GLN 199 Cb 0.44 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.04 1og4 n GLN 199 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1og4 s LYS 200 N -2.84 1.53 -0.05 -1.09 2.20 -0.65 -4.79 119.74 114.05 1og4 s LYS 200 Ca 0.14 -0.63 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1og4 s LYS 200 Cb 0.14 -2.16 -0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1og4 s LYS 200 CO 0.37 -0.46 -0.20 0.08 -0.36 0.00 0.00 175.35 174.78 1og4 s VAL 201 N 1.57 2.50 -0.14 4.02 1.01 -1.26 -0.45 120.40 127.66 1og4 s VAL 201 Ca -0.01 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1og4 s VAL 201 Cb -0.16 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.34 1og4 s VAL 201 CO -0.08 0.57 0.30 -0.60 0.00 0.00 0.00 175.10 175.30 1og4 s ARG 202 N -0.40 0.23 -0.17 2.72 3.52 -0.43 -4.99 118.95 119.43 1og4 s ARG 202 Ca 0.04 0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 56.26 1og4 s ARG 202 Cb -0.12 -0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.22 1og4 s ARG 202 CO 0.02 -0.22 0.22 0.99 -0.81 0.00 0.00 175.30 175.49 1og4 s THR 203 N 1.95 5.35 -0.14 4.11 2.01 -1.26 0.03 115.64 127.70 1og4 s THR 203 Ca -0.04 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1og4 s THR 203 Cb -0.11 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1og4 s THR 203 CO -0.10 0.43 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.56 1og4 s GLN 204 N 0.26 2.11 3.18 4.92 0.74 -0.05 -5.01 119.66 125.81 1og4 s GLN 204 Ca 0.13 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1og4 s GLN 204 Cb -0.12 -1.96 0.00 0.00 1.10 0.00 0.00 33.01 32.03 1og4 s GLN 204 CO 0.02 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 1og4 n GLY 205 N 4.75 0.39 0.01 2.59 0.00 -1.26 -2.32 105.19 109.34 1og4 n GLY 205 Ca -0.16 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1og4 n GLY 205 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1og4 n TYR 206 N 0.00 0.06 -1.47 1.61 4.02 -1.26 -4.60 117.16 115.52 1og4 n TYR 206 Ca 0.00 0.02 0.03 0.00 -0.01 0.00 0.00 57.90 57.93 1og4 n TYR 206 Cb 0.00 -0.19 0.04 0.00 -0.02 0.00 0.00 39.34 39.17 1og4 n TYR 206 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1og4 n ASN 207 N -1.70 0.75 -4.18 7.72 0.23 -1.25 -4.93 115.26 111.90 1og4 n ASN 207 Ca 0.03 -2.13 -0.29 0.00 -0.53 0.00 0.00 54.58 51.66 1og4 n ASN 207 Cb 0.39 -0.21 -0.16 0.00 -2.08 0.00 0.00 39.78 37.71 1og4 n ASN 207 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1og4 s GLU 208 N -0.81 2.25 -0.07 -3.83 2.02 -0.98 0.20 118.70 117.48 1og4 s GLU 208 Ca 0.08 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 1og4 s GLU 208 Cb 0.07 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.47 1og4 s GLU 208 CO 0.01 0.24 -0.01 0.42 0.02 0.00 0.00 175.26 175.94 1og4 s ILE 209 N 0.12 0.44 -0.19 -1.63 1.01 -0.77 -0.88 121.20 119.31 1og4 s ILE 209 Ca -0.08 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 1og4 s ILE 209 Cb -0.14 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1og4 s ILE 209 CO 0.04 0.25 0.18 -0.36 0.00 0.00 0.00 174.94 175.05 1og4 s PHE 210 N 1.70 3.43 -0.20 3.97 0.40 0.10 -0.86 117.98 126.52 1og4 s PHE 210 Ca 0.01 0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.76 1og4 s PHE 210 Cb -0.13 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.22 1og4 s PHE 210 CO -0.04 0.28 -0.17 -0.51 0.70 0.00 0.00 175.22 175.47 1og4 s LEU 211 N 0.38 2.43 0.00 -0.37 1.43 -0.19 -1.32 118.68 121.05 1og4 s LEU 211 Ca 0.10 -0.83 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1og4 s LEU 211 Cb -0.12 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1og4 s LEU 211 CO -0.00 -0.05 0.13 0.47 0.23 0.00 0.00 176.35 177.12 1og4 n ASP 212 N 4.58 1.13 -3.64 2.29 8.00 0.41 -1.92 116.55 127.40 1og4 n ASP 212 Ca -0.19 -2.85 -0.25 0.00 0.71 0.00 0.00 54.79 52.21 1og4 n ASP 212 Cb 0.48 0.89 0.04 0.00 -0.02 0.00 0.00 41.12 42.51 1og4 n ASP 212 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1og4 n SER 213 N -1.61 -3.94 -4.77 -2.24 7.64 -1.26 -1.63 113.62 105.81 1og4 n SER 213 Ca -0.05 -0.91 -0.40 0.00 1.01 0.00 0.00 58.87 58.52 1og4 n SER 213 Cb 0.52 -3.84 -0.02 0.00 -1.01 0.00 0.00 64.21 59.86 1og4 n SER 213 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1og4 s PRO 214 N -5.77 4.27 0.03 1.43 0.04 -1.26 -1.59 135.00 132.15 1og4 s PRO 214 Ca 0.30 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.37 1og4 s PRO 214 Cb -0.09 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.48 1og4 s PRO 214 CO 0.83 -0.24 0.29 0.21 0.04 0.00 0.00 177.00 178.13 1og4 s LYS 215 N -1.90 0.77 -0.35 4.56 2.20 0.12 -4.94 119.74 120.19 1og4 s LYS 215 Ca 0.51 -0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.54 1og4 s LYS 215 Cb -0.38 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.28 1og4 s LYS 215 CO 0.51 -0.24 0.20 0.50 -0.36 0.00 0.00 175.35 175.96 1og4 s ARG 216 N -2.34 3.07 0.32 4.03 3.52 -1.26 -1.02 118.95 125.26 1og4 s ARG 216 Ca -0.06 -0.91 0.09 0.00 -0.13 0.00 0.00 55.73 54.72 1og4 s ARG 216 Cb -0.02 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1og4 s ARG 216 CO -0.02 -0.58 -0.01 0.15 -0.81 0.00 0.00 175.30 174.02 1og4 s LYS 217 N 1.60 2.08 0.88 5.12 1.02 -1.26 -5.03 119.74 124.14 1og4 s LYS 217 Ca 0.03 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.25 1og4 s LYS 217 Cb -0.18 -1.96 0.12 0.00 -0.52 0.00 0.00 37.83 35.29 1og4 s LYS 217 CO 0.07 0.20 1.13 0.15 -0.92 0.00 0.00 175.35 175.99 1og4 s LYS 218 N -3.69 1.33 0.39 1.68 1.02 -1.26 -4.96 119.74 114.25 1og4 s LYS 218 Ca 0.34 1.46 0.07 0.00 0.02 0.00 0.00 55.97 57.86 1og4 s LYS 218 Cb -0.02 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1og4 s LYS 218 CO 0.19 -2.39 0.53 -1.12 -0.92 0.00 0.00 175.35 171.64 1og4 s SER 219 N -2.84 5.76 0.41 2.83 0.01 -1.26 -5.01 113.70 113.60 1og4 s SER 219 Ca 0.66 -0.34 0.23 0.00 1.31 0.00 0.00 55.95 57.81 1og4 s SER 219 Cb -0.21 -0.87 0.39 0.00 0.21 0.00 0.00 66.02 65.53 1og4 s SER 219 CO 0.57 -0.63 1.62 0.78 0.41 0.00 0.00 173.24 175.99 1og4 h ASN 220 N 0.75 0.00 -4.21 2.44 -0.26 -1.91 -3.44 115.58 108.95 1og4 h ASN 220 Ca -0.42 -0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 54.65 1og4 h ASN 220 Cb 1.27 0.00 -0.25 0.00 -1.06 0.00 0.00 38.32 38.28 1og4 h ASN 220 CO 0.48 0.00 -0.87 -0.31 -1.06 0.00 0.00 177.43 175.67 1og4 s TYR 221 N -3.20 2.19 -0.22 1.19 2.02 -1.26 -5.07 117.35 113.00 1og4 s TYR 221 Ca 0.07 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.30 1og4 s TYR 221 Cb 0.06 -1.28 0.10 0.00 -0.40 0.00 0.00 41.96 40.44 1og4 s TYR 221 CO 0.66 0.17 0.47 1.21 -1.57 0.00 0.00 175.55 176.49 1og4 s ASN 222 N -1.44 -0.43 -1.45 2.29 2.47 -1.26 -4.00 114.94 111.12 1og4 s ASN 222 Ca 0.11 1.07 -0.11 0.00 0.42 0.00 0.00 52.86 54.36 1og4 s ASN 222 Cb -0.10 1.55 0.07 0.00 -1.45 0.00 0.00 41.25 41.32 1og4 s ASN 222 CO 0.03 -0.23 0.72 0.00 -3.72 0.00 0.00 177.10 173.90 1og4 h LEU 224 N -1.52 0.63 -3.19 0.00 5.85 -2.01 -2.35 115.31 112.73 1og4 h LEU 224 Ca -0.51 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1og4 h LEU 224 Cb 1.34 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1og4 h LEU 224 CO 0.60 0.30 0.00 -1.22 -0.34 0.00 0.00 178.44 177.78 1og4 n TYR 225 N -4.58 0.95 1.71 1.25 4.01 -1.26 -5.26 117.16 113.97 1og4 n TYR 225 Ca 0.19 -0.77 0.14 0.00 -0.16 0.00 0.00 57.90 57.29 1og4 n TYR 225 Cb 0.52 -0.26 0.81 0.00 -0.31 0.00 0.00 39.34 40.10 1og4 n TYR 225 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27