#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mia h ASN 8 N 0.00 0.94 1.47 1.20 -0.00 -2.05 0.44 115.58 117.57 3mia h ASN 8 Ca 0.00 -0.56 -0.11 0.00 -0.00 0.00 0.00 56.30 55.63 3mia h ASN 8 Cb 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.03 3mia h ASN 8 CO 0.00 1.33 -0.53 0.78 -0.00 0.00 0.00 177.43 179.01 3mia h ASN 9 N 0.59 0.00 -0.22 1.15 -0.26 -2.04 -2.99 115.58 111.81 3mia h ASN 9 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3mia h ASN 9 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 3mia h ASN 9 CO 0.13 0.52 0.00 0.29 -1.06 0.00 0.00 177.43 177.31 3mia n LYS 10 N -3.23 1.99 -0.18 0.81 5.02 -1.11 -4.42 118.16 117.05 3mia n LYS 10 Ca 0.02 -1.49 -0.05 0.00 -2.02 0.00 0.00 58.31 54.77 3mia n LYS 10 Cb 0.75 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 34.37 3mia n LYS 10 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3mia h ARG 11 N 3.01 0.58 -1.32 1.97 2.43 0.03 -3.03 114.38 118.05 3mia h ARG 11 Ca 0.00 -0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.45 3mia h ARG 11 Cb 0.66 -0.13 -0.32 0.00 -0.42 0.00 0.00 29.97 29.76 3mia h ARG 11 CO 0.00 0.38 0.54 0.91 -1.51 0.00 0.00 179.97 180.29 3mia n TRP 12 N -4.81 3.11 -4.03 2.20 7.02 -1.26 -4.88 117.44 114.78 3mia n TRP 12 Ca 0.04 -2.71 -0.17 0.00 -1.02 0.00 0.00 57.50 53.64 3mia n TRP 12 Cb 0.09 -1.08 -0.16 0.00 -2.42 0.00 0.00 31.31 27.74 3mia n TRP 12 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3mia s TYR 13 N -3.85 0.44 0.17 -5.99 2.02 -1.15 -4.65 117.35 104.35 3mia s TYR 13 Ca 0.57 -0.07 0.06 0.00 -0.37 0.00 0.00 57.07 57.27 3mia s TYR 13 Cb 0.46 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.54 3mia s TYR 13 CO -0.15 -0.12 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.53 3mia s PHE 14 N 0.74 1.51 0.53 2.71 0.08 0.17 -4.99 117.98 118.73 3mia s PHE 14 Ca -0.08 -0.63 -0.09 0.00 0.12 0.00 0.00 56.93 56.24 3mia s PHE 14 Cb -0.11 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 3mia s PHE 14 CO -0.01 0.23 0.89 0.95 -0.10 0.00 0.00 175.22 177.18 3mia s THR 15 N -2.96 4.79 0.57 0.64 -4.23 -1.26 -4.63 115.64 108.56 3mia s THR 15 Ca 0.18 0.58 0.28 0.00 -1.18 0.00 0.00 61.69 61.55 3mia s THR 15 Cb -0.00 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.38 3mia s THR 15 CO 0.04 -0.91 1.98 0.03 -0.54 0.00 0.00 174.62 175.21 3mia h ARG 16 N 0.19 0.00 0.01 3.99 2.47 -1.99 0.62 114.38 119.67 3mia h ARG 16 Ca -0.46 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.06 3mia h ARG 16 Cb 1.20 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.53 3mia h ARG 16 CO 0.62 0.00 -0.79 0.93 0.56 0.00 0.00 179.97 181.29 3mia h GLU 17 N 0.00 0.52 -0.50 0.04 3.07 -1.99 -2.86 114.58 112.86 3mia h GLU 17 Ca 0.20 -0.57 -0.07 0.00 -0.50 0.00 0.00 59.36 58.43 3mia h GLU 17 Cb 0.98 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 3mia h GLU 17 CO -0.00 1.20 0.04 1.96 -1.40 0.00 0.00 179.01 180.81 3mia h GLN 18 N 0.08 0.81 0.00 2.33 4.20 -1.31 0.33 115.11 121.55 3mia h GLN 18 Ca -0.10 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 3mia h GLN 18 Cb 1.48 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 3mia h GLN 18 CO 0.15 0.79 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.80 3mia h LEU 19 N 0.76 0.00 0.01 1.46 3.38 -1.18 -3.01 115.31 116.73 3mia h LEU 19 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3mia h LEU 19 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3mia h LEU 19 CO 0.01 0.23 -0.12 -0.08 0.09 0.00 0.00 178.44 178.57 3mia h GLU 20 N 0.00 0.07 -2.44 1.13 4.57 -0.96 -3.32 114.58 113.63 3mia h GLU 20 Ca -0.00 -0.09 -0.56 0.00 -1.18 0.00 0.00 59.36 57.53 3mia h GLU 20 Cb 0.54 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.07 3mia h GLU 20 CO 0.03 0.89 1.75 -1.71 -1.18 0.00 0.00 179.01 178.79 3mia n ASN 21 N -4.59 7.32 -4.19 1.04 2.85 -0.02 -4.80 115.26 112.86 3mia n ASN 21 Ca -0.10 -2.90 -0.30 0.00 -0.11 0.00 0.00 54.58 51.18 3mia n ASN 21 Cb 0.46 -1.39 0.19 0.00 1.24 0.00 0.00 39.78 40.29 3mia n ASN 21 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3mia s SER 22 N 1.10 2.30 0.29 1.20 1.04 -1.23 -4.92 113.70 113.48 3mia s SER 22 Ca 0.61 0.63 0.14 0.00 0.48 0.00 0.00 55.95 57.81 3mia s SER 22 Cb 0.26 -0.92 0.36 0.00 0.10 0.00 0.00 66.02 65.82 3mia s SER 22 CO -0.10 -3.27 1.59 -0.65 0.98 0.00 0.00 173.24 171.78 3mia h PRO 23 N -2.00 0.00 0.00 4.02 0.11 -1.81 -2.87 132.00 129.45 3mia h PRO 23 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3mia h PRO 23 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3mia h PRO 23 CO 0.43 0.57 -0.51 0.77 -0.21 0.00 0.00 178.00 179.05 3mia h SER 24 N 0.00 0.00 -0.22 -2.05 0.02 -1.86 -3.13 113.55 106.31 3mia h SER 24 Ca -0.01 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3mia h SER 24 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3mia h SER 24 CO 0.07 0.51 -0.62 -0.09 -1.14 0.00 0.00 176.83 175.56 3mia h ARG 25 N 0.00 0.84 0.00 3.45 9.65 -1.68 -1.35 114.38 125.29 3mia h ARG 25 Ca -0.01 -0.58 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 3mia h ARG 25 Cb 1.10 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3mia h ARG 25 CO 0.07 1.20 0.00 -2.13 2.80 0.00 0.00 179.97 181.91 3mia n ARG 26 N -3.98 0.17 -1.42 0.20 0.63 -1.14 -1.68 116.66 109.44 3mia n ARG 26 Ca -0.05 0.16 -0.10 0.00 -0.92 0.00 0.00 57.85 56.94 3mia n ARG 26 Cb 0.67 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 32.18 3mia n ARG 26 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3mia n PHE 27 N -1.24 1.50 -0.82 -0.14 3.72 -1.09 -4.96 117.46 114.42 3mia n PHE 27 Ca 0.05 -1.88 0.00 0.00 -0.05 0.00 0.00 57.45 55.57 3mia n PHE 27 Cb 0.07 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 3mia n PHE 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mia n GLY 28 N -0.87 0.42 3.76 1.37 0.00 -0.68 -4.99 105.19 104.20 3mia n GLY 28 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 3mia n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mia s VAL 29 N -2.18 3.74 0.39 1.61 1.01 -0.53 -5.01 120.40 119.43 3mia s VAL 29 Ca 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 3mia s VAL 29 Cb 0.00 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 3mia s VAL 29 CO 0.00 0.34 0.76 -1.81 0.00 0.00 0.00 175.10 174.38 3mia s ASP 30 N -1.11 6.56 0.09 3.32 1.11 -1.26 -4.20 116.67 121.17 3mia s ASP 30 Ca 0.46 1.14 -0.21 0.00 0.18 0.00 0.00 52.55 54.11 3mia s ASP 30 Cb -0.28 -2.32 -0.07 0.00 1.07 0.00 0.00 42.92 41.32 3mia s ASP 30 CO 0.35 -0.36 1.35 -0.65 1.18 0.00 0.00 175.17 177.04 3mia h PRO 31 N 1.42 -0.22 0.00 8.23 0.11 -1.95 0.36 132.00 139.96 3mia h PRO 31 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mia h PRO 31 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mia h PRO 31 CO 0.64 -0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 3mia n ASP 32 N -4.42 0.70 0.16 -2.05 8.00 -1.26 -0.91 116.55 116.77 3mia n ASP 32 Ca -0.02 0.67 -0.09 0.00 0.71 0.00 0.00 54.79 56.06 3mia n ASP 32 Cb 0.21 -0.82 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 3mia n ASP 32 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3mia h LYS 33 N 0.00 -0.46 -0.00 -1.24 1.57 -1.47 -2.97 116.57 111.99 3mia h LYS 33 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mia h LYS 33 Cb 0.37 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3mia h LYS 33 CO 0.00 -0.22 -0.03 1.49 -0.57 0.00 0.00 179.45 180.13 3mia h GLU 34 N -1.07 -0.03 -1.10 3.15 4.81 0.33 -0.77 114.58 119.90 3mia h GLU 34 Ca -0.05 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 59.50 3mia h GLU 34 Cb 0.46 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3mia h GLU 34 CO 0.08 -0.02 1.06 1.28 -0.73 0.00 0.00 179.01 180.68 3mia n LEU 35 N -2.69 0.00 0.10 1.64 4.77 -0.09 0.14 117.00 120.87 3mia n LEU 35 Ca -0.00 0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 56.42 3mia n LEU 35 Cb 0.02 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 3mia n LEU 35 CO 0.00 -0.68 -0.37 0.28 -1.33 0.00 0.00 177.39 175.29 3mia h SER 36 N 0.00 0.70 -0.89 -1.43 0.02 -0.97 -3.17 113.55 107.81 3mia h SER 36 Ca 0.52 -0.93 0.05 0.00 -0.84 0.00 0.00 61.79 60.59 3mia h SER 36 Cb 2.63 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 64.88 3mia h SER 36 CO -0.01 1.73 0.56 1.88 -1.14 0.00 0.00 176.83 179.86 3mia h TYR 37 N 0.08 1.05 0.24 3.45 0.05 0.16 0.24 116.97 122.23 3mia h TYR 37 Ca -0.30 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.52 3mia h TYR 37 Cb 2.09 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 39.45 3mia h TYR 37 CO 0.12 0.57 -0.53 0.00 -1.05 0.00 0.00 178.16 177.27 3mia h ARG 38 N 1.06 -0.81 -0.12 4.88 3.08 -1.52 0.63 114.38 121.58 3mia h ARG 38 Ca 0.37 0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.41 3mia h ARG 38 Cb 0.10 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3mia h ARG 38 CO -0.15 -0.54 -0.23 1.96 -1.07 0.00 0.00 179.97 179.95 3mia h GLN 39 N -0.84 0.20 0.45 0.04 4.20 -1.44 0.11 115.11 117.83 3mia h GLN 39 Ca -0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3mia h GLN 39 Cb 0.80 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3mia h GLN 39 CO -0.22 0.42 -0.22 1.96 -0.67 0.00 0.00 178.83 180.11 3mia h GLN 40 N 0.19 -0.58 -0.73 1.46 4.20 0.04 -0.89 115.11 118.79 3mia h GLN 40 Ca 0.03 0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.92 3mia h GLN 40 Cb 0.51 0.13 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 3mia h GLN 40 CO 0.03 -0.30 0.26 0.00 -0.67 0.00 0.00 178.83 178.15 3mia h ALA 41 N -0.35 1.00 0.00 3.87 0.00 0.57 0.21 119.26 124.56 3mia h ALA 41 Ca -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3mia h ALA 41 Cb 0.55 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3mia h ALA 41 CO 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.06 3mia h ALA 42 N 1.55 1.31 0.02 0.00 0.00 -0.53 -1.07 119.26 120.54 3mia h ALA 42 Ca 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3mia h ALA 42 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mia h ALA 42 CO -0.42 0.07 -0.11 -0.97 0.00 0.00 0.00 179.25 177.82 3mia h ASN 43 N 0.00 0.07 -0.53 0.00 -1.24 0.83 -2.52 115.58 112.19 3mia h ASN 43 Ca -0.00 -0.99 0.09 0.00 0.71 0.00 0.00 56.30 56.11 3mia h ASN 43 Cb 0.18 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.14 3mia h ASN 43 CO 0.01 1.05 0.14 0.25 -1.29 0.00 0.00 177.43 177.59 3mia h LEU 44 N -0.91 0.08 -0.99 0.34 5.85 -1.02 0.30 115.31 118.97 3mia h LEU 44 Ca -0.02 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3mia h LEU 44 Cb 1.08 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3mia h LEU 44 CO 0.02 0.07 0.66 -0.07 -0.34 0.00 0.00 178.44 178.77 3mia h LEU 45 N 0.29 1.13 -0.94 2.25 3.38 -1.29 -0.73 115.31 119.40 3mia h LEU 45 Ca 0.26 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3mia h LEU 45 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3mia h LEU 45 CO -0.31 0.81 -0.26 -0.61 0.09 0.00 0.00 178.44 178.16 3mia h GLN 46 N 1.33 0.00 0.02 1.13 5.75 -0.61 -1.93 115.11 120.81 3mia h GLN 46 Ca 0.37 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3mia h GLN 46 Cb -0.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.42 3mia h GLN 46 CO -0.08 0.26 -0.01 0.22 -2.65 0.00 0.00 178.83 176.56 3mia h ASP 47 N 0.00 -0.03 -1.03 -0.69 -0.00 0.71 -3.05 116.42 112.33 3mia h ASP 47 Ca -0.00 0.00 0.26 0.00 -0.00 0.00 0.00 57.03 57.28 3mia h ASP 47 Cb 0.84 0.01 -0.10 0.00 -0.00 0.00 0.00 39.33 40.07 3mia h ASP 47 CO 0.03 0.01 0.64 0.24 -0.00 0.00 0.00 179.24 180.17 3mia h MET 48 N -0.10 0.45 0.00 0.28 2.86 -1.29 0.32 114.93 117.46 3mia h MET 48 Ca -0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3mia h MET 48 Cb 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3mia h MET 48 CO 0.01 0.30 -0.18 0.78 1.06 0.00 0.00 176.91 178.88 3mia h GLY 49 N 0.47 0.00 0.89 8.32 0.00 -1.45 -0.29 103.07 111.00 3mia h GLY 49 Ca 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.86 3mia h GLY 49 CO -0.35 0.00 -1.29 -1.06 0.00 0.00 0.00 176.54 173.83 3mia n GLN 50 N -3.66 0.62 0.20 4.80 6.02 0.10 -0.64 117.38 124.82 3mia n GLN 50 Ca -0.01 0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 3mia n GLN 50 Cb 0.30 -1.79 -0.07 0.00 1.02 0.00 0.00 30.24 29.70 3mia n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mia h ARG 51 N 0.00 -0.51 0.00 -1.09 2.47 -0.65 -2.95 114.38 111.65 3mia h ARG 51 Ca -0.08 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3mia h ARG 51 Cb 1.28 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 3mia h ARG 51 CO 0.02 -0.20 0.00 1.28 0.56 0.00 0.00 179.97 181.63 3mia n LEU 52 N -5.18 0.00 -3.44 3.04 4.77 -0.17 -4.89 117.00 111.12 3mia n LEU 52 Ca -0.10 0.40 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 3mia n LEU 52 Cb 0.29 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3mia n LEU 52 CO 0.29 -0.17 0.20 -3.20 -1.33 0.00 0.00 177.39 173.19 3mia n ASN 53 N -1.40 -6.28 -4.75 -1.43 5.15 -0.98 -4.98 115.26 100.58 3mia n ASN 53 Ca 0.06 -0.49 -0.40 0.00 -0.60 0.00 0.00 54.58 53.15 3mia n ASN 53 Cb 0.17 -4.93 -0.06 0.00 -0.53 0.00 0.00 39.78 34.43 3mia n ASN 53 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3mia s VAL 54 N -3.29 4.37 1.02 3.44 -7.23 0.19 -5.01 120.40 113.88 3mia s VAL 54 Ca 0.53 1.88 -0.23 0.00 -1.81 0.00 0.00 61.98 62.35 3mia s VAL 54 Cb -0.23 -4.23 -0.11 0.00 0.56 0.00 0.00 36.38 32.37 3mia s VAL 54 CO 0.66 0.45 -0.96 -1.54 -0.31 0.00 0.00 175.10 173.39 3mia n SER 55 N 2.00 -3.44 -0.14 4.85 3.41 -1.26 -4.70 113.62 114.34 3mia n SER 55 Ca -0.02 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 3mia n SER 55 Cb 0.49 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 3mia n SER 55 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3mia h GLN 56 N -1.25 0.76 -0.82 4.33 5.75 -1.95 -2.55 115.11 119.38 3mia h GLN 56 Ca -0.43 -0.28 0.14 0.00 -0.15 0.00 0.00 58.65 57.93 3mia h GLN 56 Cb 1.36 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.80 3mia h GLN 56 CO 0.26 0.88 0.54 1.25 -2.65 0.00 0.00 178.83 179.10 3mia h LEU 57 N 0.58 0.54 -1.01 -2.39 5.85 -2.00 0.16 115.31 117.04 3mia h LEU 57 Ca 0.11 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3mia h LEU 57 Cb 0.58 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3mia h LEU 57 CO 0.03 0.28 -0.12 0.74 -0.34 0.00 0.00 178.44 179.04 3mia h THR 58 N 0.58 1.24 0.08 1.05 2.02 -1.76 -2.62 112.91 113.49 3mia h THR 58 Ca 0.40 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3mia h THR 58 Cb 0.74 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3mia h THR 58 CO -0.16 0.35 -0.04 0.40 0.37 0.00 0.00 175.52 176.45 3mia h ILE 59 N 0.53 1.12 -0.79 3.11 1.08 -0.54 -1.95 117.51 120.06 3mia h ILE 59 Ca 0.10 -0.76 0.07 0.00 -0.39 0.00 0.00 64.86 63.87 3mia h ILE 59 Cb 0.52 1.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 3mia h ILE 59 CO 0.03 0.19 0.47 0.78 -0.69 0.00 0.00 178.15 178.93 3mia h ASN 60 N -0.46 0.71 -0.41 1.72 2.35 -1.17 -1.34 115.58 116.99 3mia h ASN 60 Ca -0.01 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3mia h ASN 60 Cb 0.39 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mia h ASN 60 CO 0.02 0.45 -0.13 0.74 -1.65 0.00 0.00 177.43 176.85 3mia h THR 61 N 0.84 1.28 -0.89 2.81 2.02 -1.49 -1.84 112.91 115.64 3mia h THR 61 Ca 0.36 -1.24 0.07 0.00 0.77 0.00 0.00 66.41 66.36 3mia h THR 61 Cb 0.22 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 3mia h THR 61 CO -0.19 0.42 0.58 0.00 0.37 0.00 0.00 175.52 176.69 3mia h ALA 62 N 0.84 1.54 0.05 6.16 0.00 -0.78 -1.34 119.26 125.73 3mia h ALA 62 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mia h ALA 62 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3mia h ALA 62 CO 0.05 0.32 -0.02 0.82 0.00 0.00 0.00 179.25 180.42 3mia h ILE 63 N 0.99 1.24 -0.30 0.00 2.04 -1.02 -2.16 117.51 118.30 3mia h ILE 63 Ca 0.38 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 65.31 3mia h ILE 63 Cb 0.22 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3mia h ILE 63 CO -0.14 0.25 0.21 0.58 0.00 0.00 0.00 178.15 179.05 3mia h VAL 64 N -0.52 0.88 0.02 1.67 2.07 -1.05 0.14 116.25 119.46 3mia h VAL 64 Ca -0.01 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3mia h VAL 64 Cb 0.46 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3mia h VAL 64 CO 0.01 0.01 -0.01 1.88 0.02 0.00 0.00 177.57 179.49 3mia h TYR 65 N 0.07 -0.02 -0.32 1.57 0.05 -1.17 -2.77 116.97 114.38 3mia h TYR 65 Ca 0.14 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.96 3mia h TYR 65 Cb 0.47 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.15 3mia h TYR 65 CO -0.00 0.31 -0.54 1.98 -1.05 0.00 0.00 178.16 178.86 3mia h MET 66 N -0.36 -0.42 -0.85 4.88 4.05 -0.15 0.27 114.93 122.35 3mia h MET 66 Ca -0.00 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.57 3mia h MET 66 Cb 0.34 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.15 3mia h MET 66 CO 0.00 -0.28 0.47 0.45 0.23 0.00 0.00 176.91 177.78 3mia h HIS 67 N -0.44 0.83 0.05 1.39 3.86 -0.99 -1.81 115.15 118.04 3mia h HIS 67 Ca 0.06 0.03 -0.23 0.00 -1.16 0.00 0.00 60.37 59.07 3mia h HIS 67 Cb 0.60 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3mia h HIS 67 CO -0.69 0.26 -1.05 0.00 0.86 0.00 0.00 177.93 177.31 3mia h ARG 68 N 0.71 0.19 -0.17 2.45 3.08 -1.17 -3.11 114.38 116.36 3mia h ARG 68 Ca 0.44 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3mia h ARG 68 Cb 0.53 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3mia h ARG 68 CO -0.31 1.08 0.07 0.35 -1.07 0.00 0.00 179.97 180.09 3mia h PHE 69 N 0.07 0.23 -0.51 3.04 3.57 0.32 -2.42 116.94 121.25 3mia h PHE 69 Ca -0.07 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 3mia h PHE 69 Cb 1.76 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 40.35 3mia h PHE 69 CO 0.04 0.18 0.15 0.66 -2.23 0.00 0.00 178.31 177.11 3mia n TYR 70 N -4.47 1.71 0.29 0.41 4.01 -0.79 -1.44 117.16 116.89 3mia n TYR 70 Ca -0.00 -0.81 0.03 0.00 -0.16 0.00 0.00 57.90 56.95 3mia n TYR 70 Cb 0.11 -0.51 -0.00 0.00 -0.31 0.00 0.00 39.34 38.63 3mia n TYR 70 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3mia n MET 71 N 0.09 2.33 -0.00 -0.72 2.81 -0.91 -4.55 117.12 116.17 3mia n MET 71 Ca 0.27 -0.48 -0.00 0.00 -1.81 0.00 0.00 57.70 55.67 3mia n MET 71 Cb 1.06 -0.97 -0.00 0.00 -0.71 0.00 0.00 33.22 32.59 3mia n MET 71 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3mia n ILE 72 N -0.33 0.01 -3.81 2.02 2.08 -1.21 -4.65 119.36 113.47 3mia n ILE 72 Ca 0.03 -0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.12 3mia n ILE 72 Cb 0.14 -0.61 -0.04 0.00 -0.75 0.00 0.00 39.64 38.39 3mia n ILE 72 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3mia s GLN 73 N -2.00 2.74 -0.06 0.38 -1.52 -0.52 -4.85 119.66 113.82 3mia s GLN 73 Ca -0.00 -1.29 0.03 0.00 -1.95 0.00 0.00 55.36 52.16 3mia s GLN 73 Cb 0.00 -2.48 -0.02 0.00 -0.22 0.00 0.00 33.01 30.28 3mia s GLN 73 CO 0.00 0.10 -0.15 0.45 -0.25 0.00 0.00 175.29 175.44 3mia s SER 74 N -4.00 3.92 0.57 5.90 0.15 -1.26 -4.41 113.70 114.57 3mia s SER 74 Ca 0.41 -0.25 0.29 0.00 0.70 0.00 0.00 55.95 57.10 3mia s SER 74 Cb -0.06 -0.92 1.48 0.00 -1.71 0.00 0.00 66.02 64.82 3mia s SER 74 CO 0.27 0.31 1.93 -0.26 1.20 0.00 0.00 173.24 176.69 3mia h PHE 75 N 5.57 0.00 0.09 3.44 0.04 -1.90 -1.21 116.94 122.97 3mia h PHE 75 Ca -0.43 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.36 3mia h PHE 75 Cb 1.16 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.26 3mia h PHE 75 CO 0.49 0.00 -0.49 1.15 -0.60 0.00 0.00 178.31 178.85 3mia h THR 76 N 0.00 0.05 0.00 -1.55 2.02 -1.94 -3.09 112.91 108.40 3mia h THR 76 Ca 0.24 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.29 3mia h THR 76 Cb 1.16 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3mia h THR 76 CO -0.00 0.00 -0.73 -0.61 0.37 0.00 0.00 175.52 174.54 3mia h GLN 77 N -0.70 0.00 -3.26 6.66 4.15 -1.69 -3.42 115.11 116.85 3mia h GLN 77 Ca 0.01 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.82 3mia h GLN 77 Cb 0.73 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.02 3mia h GLN 77 CO -0.30 0.51 -0.72 -0.06 -1.93 0.00 0.00 178.83 176.34 3mia s PHE 78 N -2.93 2.28 -0.07 3.99 0.08 -0.63 -5.06 117.98 115.64 3mia s PHE 78 Ca 0.02 -2.50 -0.35 0.00 0.12 0.00 0.00 56.93 54.22 3mia s PHE 78 Cb 0.08 -2.10 -0.13 0.00 -0.57 0.00 0.00 43.02 40.30 3mia s PHE 78 CO 0.77 -0.80 1.78 -2.30 -0.10 0.00 0.00 175.22 174.57 3mia n PRO 79 N 3.71 1.96 0.00 0.24 -0.02 -1.22 -4.40 135.00 135.27 3mia n PRO 79 Ca 0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3mia n PRO 79 Cb 0.36 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3mia n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mia n GLY 80 N 4.12 -0.17 0.02 -1.23 0.00 -1.26 -0.29 105.19 106.38 3mia n GLY 80 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3mia n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mia n ASN 81 N -1.09 0.30 -0.09 1.61 4.13 -1.26 -2.88 115.26 115.99 3mia n ASN 81 Ca 0.00 -0.16 -0.16 0.00 1.68 0.00 0.00 54.58 55.94 3mia n ASN 81 Cb 0.07 1.58 -0.11 0.00 -1.54 0.00 0.00 39.78 39.78 3mia n ASN 81 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3mia h SER 82 N 0.00 0.00 -0.77 6.41 0.02 -1.01 -3.38 113.55 114.82 3mia h SER 82 Ca 0.00 -0.64 0.04 0.00 -0.84 0.00 0.00 61.79 60.35 3mia h SER 82 Cb 0.89 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3mia h SER 82 CO 0.00 1.20 0.48 0.58 -1.14 0.00 0.00 176.83 177.94 3mia h VAL 83 N -1.00 1.08 -0.91 2.27 2.07 -1.57 -3.17 116.25 115.02 3mia h VAL 83 Ca -0.17 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3mia h VAL 83 Cb 1.06 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3mia h VAL 83 CO -0.10 0.17 0.59 0.00 0.02 0.00 0.00 177.57 178.24 3mia h ALA 84 N 1.34 1.52 -0.06 1.67 0.00 -1.70 -0.75 119.26 121.29 3mia h ALA 84 Ca 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3mia h ALA 84 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3mia h ALA 84 CO -0.13 0.33 0.01 -1.35 0.00 0.00 0.00 179.25 178.11 3mia h PRO 85 N 1.02 0.09 -0.18 0.00 0.11 -1.73 -2.22 132.00 129.09 3mia h PRO 85 Ca 0.39 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.52 3mia h PRO 85 Cb 0.22 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 3mia h PRO 85 CO -0.15 0.31 -0.04 0.00 -0.21 0.00 0.00 178.00 177.91 3mia h ALA 86 N 0.78 0.12 -0.44 -0.75 0.00 -1.59 0.14 119.26 117.52 3mia h ALA 86 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3mia h ALA 86 Cb 0.26 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3mia h ALA 86 CO 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 179.25 178.85 3mia h ALA 87 N 1.18 0.47 -0.21 0.00 0.00 -1.11 -0.35 119.26 119.24 3mia h ALA 87 Ca 0.09 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3mia h ALA 87 Cb 0.13 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3mia h ALA 87 CO -0.18 -0.33 -0.30 1.25 0.00 0.00 0.00 179.25 179.69 3mia h LEU 88 N 0.20 0.42 0.71 0.00 5.85 -0.95 0.09 115.31 121.64 3mia h LEU 88 Ca 0.22 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3mia h LEU 88 Cb 0.28 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.21 3mia h LEU 88 CO -0.30 0.71 -0.34 0.15 -0.34 0.00 0.00 178.44 178.32 3mia h PHE 89 N 0.36 -0.89 -0.59 1.25 -0.00 0.30 -1.53 116.94 115.85 3mia h PHE 89 Ca 0.05 -0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.04 3mia h PHE 89 Cb 0.71 0.29 -0.05 0.00 -0.00 0.00 0.00 35.95 36.91 3mia h PHE 89 CO 0.02 -0.55 0.34 1.25 -0.00 0.00 0.00 178.31 179.37 3mia h LEU 90 N -0.95 0.52 -1.79 0.59 5.85 -1.03 -2.50 115.31 115.99 3mia h LEU 90 Ca -0.10 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3mia h LEU 90 Cb 0.73 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3mia h LEU 90 CO 0.16 0.35 0.33 0.00 -0.34 0.00 0.00 178.44 178.94 3mia h ALA 91 N 1.29 2.13 0.36 1.25 0.00 -0.75 -2.11 119.26 121.43 3mia h ALA 91 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3mia h ALA 91 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mia h ALA 91 CO -0.14 -0.24 -0.17 0.00 0.00 0.00 0.00 179.25 178.69 3mia h ALA 92 N 1.76 -0.49 0.57 0.00 0.00 -0.81 -1.27 119.26 119.03 3mia h ALA 92 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mia h ALA 92 Cb 0.56 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3mia h ALA 92 CO -0.04 -0.71 -0.49 0.87 0.00 0.00 0.00 179.25 178.88 3mia h LYS 93 N -0.61 -1.00 -1.01 0.00 1.57 -1.50 0.16 116.57 114.18 3mia h LYS 93 Ca -0.05 0.07 0.32 0.00 -1.87 0.00 0.00 60.65 59.12 3mia h LYS 93 Cb 0.45 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 32.84 3mia h LYS 93 CO 0.08 -0.67 0.58 0.28 -0.57 0.00 0.00 179.45 179.15 3mia h VAL 94 N -1.04 0.32 -0.55 0.50 2.07 -1.37 0.41 116.25 116.58 3mia h VAL 94 Ca -0.07 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3mia h VAL 94 Cb 0.88 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3mia h VAL 94 CO -0.01 0.06 0.03 -0.62 0.02 0.00 0.00 177.57 177.05 3mia n GLU 95 N -5.02 4.48 -3.66 1.57 -0.58 -0.48 -4.95 120.64 111.99 3mia n GLU 95 Ca 0.31 -2.90 -0.22 0.00 -0.42 0.00 0.00 57.16 53.93 3mia n GLU 95 Cb 0.97 -2.21 0.05 0.00 -0.57 0.00 0.00 31.44 29.69 3mia n GLU 95 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3mia n GLU 96 N 0.49 -5.89 -2.74 3.49 -0.58 0.14 -4.93 120.64 110.62 3mia n GLU 96 Ca 0.27 0.70 -0.09 0.00 -0.42 0.00 0.00 57.16 57.63 3mia n GLU 96 Cb 1.15 -5.51 0.08 0.00 -0.57 0.00 0.00 31.44 26.59 3mia n GLU 96 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3mia n GLN 97 N -4.42 1.13 -1.71 3.49 6.02 -0.01 -5.03 117.38 116.86 3mia n GLN 97 Ca -0.19 -2.35 -0.38 0.00 -0.01 0.00 0.00 57.00 54.07 3mia n GLN 97 Cb 0.63 -0.66 0.05 0.00 1.02 0.00 0.00 30.24 31.28 3mia n GLN 97 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3mia n PRO 98 N -0.22 1.37 -4.32 -1.09 -0.04 -1.13 -4.60 135.00 124.96 3mia n PRO 98 Ca 0.04 0.52 -0.25 0.00 -0.04 0.00 0.00 63.50 63.77 3mia n PRO 98 Cb 0.80 -2.47 -0.12 0.00 -0.04 0.00 0.00 33.50 31.67 3mia n PRO 98 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mia s LYS 99 N -2.96 1.23 0.31 0.54 -0.14 -1.26 -4.94 119.74 112.51 3mia s LYS 99 Ca 0.75 -1.26 -0.29 0.00 -1.36 0.00 0.00 55.97 53.81 3mia s LYS 99 Cb -0.41 -1.52 -0.10 0.00 -1.68 0.00 0.00 37.83 34.11 3mia s LYS 99 CO 0.47 0.35 1.25 0.15 -0.76 0.00 0.00 175.35 176.81 3mia s LYS 100 N -2.11 4.43 0.33 1.68 1.02 -1.26 -4.88 119.74 118.95 3mia s LYS 100 Ca 0.10 2.10 0.11 0.00 0.02 0.00 0.00 55.97 58.30 3mia s LYS 100 Cb -0.09 -3.11 1.00 0.00 -0.52 0.00 0.00 37.83 35.10 3mia s LYS 100 CO 0.05 -0.09 1.65 1.25 -0.92 0.00 0.00 175.35 177.29 3mia h LEU 101 N 3.68 0.36 -0.01 3.17 5.85 -1.99 -0.24 115.31 126.13 3mia h LEU 101 Ca -0.48 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 3mia h LEU 101 Cb 1.22 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3mia h LEU 101 CO 0.67 -0.16 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.27 3mia h GLU 102 N 0.27 0.03 -0.94 1.25 5.08 -1.99 -1.18 114.58 117.10 3mia h GLU 102 Ca 0.69 -0.01 0.26 0.00 -1.00 0.00 0.00 59.36 59.29 3mia h GLU 102 Cb 1.55 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.67 3mia h GLU 102 CO -0.63 0.50 0.44 1.25 -1.00 0.00 0.00 179.01 179.56 3mia h HIS 103 N -0.45 0.71 -0.10 4.33 2.76 -1.44 -0.83 115.15 120.13 3mia h HIS 103 Ca 0.00 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.07 3mia h HIS 103 Cb 0.49 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.30 3mia h HIS 103 CO 0.09 -0.10 -0.50 0.28 -1.30 0.00 0.00 177.93 176.40 3mia h VAL 104 N 0.36 1.37 0.00 5.26 2.07 -1.21 -2.73 116.25 121.37 3mia h VAL 104 Ca 0.62 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3mia h VAL 104 Cb 1.27 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3mia h VAL 104 CO -0.57 0.55 0.00 0.40 0.02 0.00 0.00 177.57 177.97 3mia h ILE 105 N 0.10 0.00 0.00 4.57 2.04 0.08 0.49 117.51 124.79 3mia h ILE 105 Ca -0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3mia h ILE 105 Cb 1.14 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3mia h ILE 105 CO 0.10 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.42 3mia n LYS 106 N -2.93 0.00 -0.11 2.37 4.81 -0.52 -2.94 118.16 118.84 3mia n LYS 106 Ca -0.02 0.38 0.27 0.00 -0.87 0.00 0.00 58.31 58.07 3mia n LYS 106 Cb 0.08 -0.96 0.71 0.00 0.02 0.00 0.00 35.03 34.88 3mia n LYS 106 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3mia h VAL 107 N 0.00 0.38 0.00 3.15 2.07 -1.28 1.20 116.25 121.77 3mia h VAL 107 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 3mia h VAL 107 Cb 0.00 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3mia h VAL 107 CO 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 176.92 3mia h ALA 108 N 1.38 0.84 0.05 1.67 0.00 -1.03 -2.82 119.26 119.35 3mia h ALA 108 Ca 0.38 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 3mia h ALA 108 Cb 1.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3mia h ALA 108 CO -0.00 0.84 -1.27 1.25 0.00 0.00 0.00 179.25 180.07 3mia h HIS 109 N 0.00 0.19 -0.82 0.00 6.17 0.15 -2.78 115.15 118.05 3mia h HIS 109 Ca -0.01 -0.14 -0.04 0.00 0.71 0.00 0.00 60.37 60.89 3mia h HIS 109 Cb 1.23 -0.01 -0.04 0.00 2.52 0.00 0.00 27.41 31.11 3mia h HIS 109 CO 0.00 1.14 0.36 1.15 0.71 0.00 0.00 177.93 181.29 3mia h THR 110 N 0.03 1.26 0.08 6.26 2.02 -0.92 -0.78 112.91 120.86 3mia h THR 110 Ca -0.13 -0.78 -0.25 0.00 0.77 0.00 0.00 66.41 66.02 3mia h THR 110 Cb 1.90 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3mia h THR 110 CO 0.14 0.33 -1.15 0.00 0.37 0.00 0.00 175.52 175.21 3mia n LEU 112 N -3.46 1.38 -2.93 0.00 4.77 -1.05 -4.60 117.00 111.11 3mia n LEU 112 Ca -0.05 -0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 55.30 3mia n LEU 112 Cb 0.99 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 42.04 3mia n LEU 112 CO 0.51 0.27 0.05 1.41 -1.33 0.00 0.00 177.39 178.31 3mia n HIS 113 N -0.66 -1.79 0.15 -1.77 8.25 -0.30 -4.96 115.22 114.14 3mia n HIS 113 Ca 0.08 -2.71 0.07 0.00 -0.26 0.00 0.00 57.72 54.90 3mia n HIS 113 Cb 0.39 0.76 0.55 0.00 1.12 0.00 0.00 29.99 32.82 3mia n HIS 113 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3mia h PRO 114 N 3.41 0.22 0.00 -0.41 0.11 -1.63 -3.28 132.00 130.42 3mia h PRO 114 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3mia h PRO 114 Cb 1.01 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3mia h PRO 114 CO 0.33 0.15 0.00 1.04 -0.21 0.00 0.00 178.00 179.30 3mia n GLN 115 N -4.51 0.00 -0.34 1.05 1.13 -1.26 -4.83 117.38 108.62 3mia n GLN 115 Ca -0.00 0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.98 3mia n GLN 115 Cb 0.09 -0.96 0.09 0.00 0.11 0.00 0.00 30.24 29.57 3mia n GLN 115 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3mia n GLU 116 N -0.48 -0.72 -4.32 -1.09 1.02 -1.24 -5.03 120.64 108.79 3mia n GLU 116 Ca 0.00 -0.45 -0.19 0.00 -0.02 0.00 0.00 57.16 56.50 3mia n GLU 116 Cb 0.00 -0.94 -0.13 0.00 -0.02 0.00 0.00 31.44 30.34 3mia n GLU 116 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mia s SER 117 N -1.79 1.61 -0.42 1.62 0.15 -1.26 -5.03 113.70 108.57 3mia s SER 117 Ca 0.21 -0.47 -0.44 0.00 0.70 0.00 0.00 55.95 55.95 3mia s SER 117 Cb -0.04 -0.09 -0.18 0.00 -1.71 0.00 0.00 66.02 64.00 3mia s SER 117 CO 0.17 0.01 1.77 0.18 1.20 0.00 0.00 173.24 176.58 3mia n LEU 118 N 1.85 1.58 -4.54 3.45 4.32 -1.26 -4.90 117.00 117.50 3mia n LEU 118 Ca -0.18 1.03 -0.34 0.00 -0.02 0.00 0.00 56.01 56.49 3mia n LEU 118 Cb 0.55 -0.99 0.11 0.00 -1.62 0.00 0.00 43.42 41.47 3mia n LEU 118 CO 0.23 -0.69 0.29 -2.65 -1.22 0.00 0.00 177.39 173.35 3mia n PRO 119 N 5.26 -0.01 -1.76 3.23 -0.02 -1.26 -4.84 135.00 135.60 3mia n PRO 119 Ca 0.34 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3mia n PRO 119 Cb 0.02 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3mia n PRO 119 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mia s ASP 120 N -1.97 6.35 0.00 2.55 2.15 -1.26 -4.80 116.67 119.69 3mia s ASP 120 Ca 0.65 2.97 0.00 0.00 0.43 0.00 0.00 52.55 56.60 3mia s ASP 120 Cb -0.27 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.71 3mia s ASP 120 CO 0.59 -0.94 0.12 0.35 -0.17 0.00 0.00 175.17 175.12 3mia n THR 121 N 2.26 0.00 0.00 1.71 -2.24 -1.26 -0.97 114.28 113.78 3mia n THR 121 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3mia n THR 121 Cb 0.37 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3mia n THR 121 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mia n ARG 122 N 0.01 2.88 -0.56 -0.78 1.74 -1.26 -4.85 116.66 113.83 3mia n ARG 122 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3mia n ARG 122 Cb 0.02 -0.74 0.21 0.00 -1.02 0.00 0.00 32.46 30.93 3mia n ARG 122 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3mia n SER 123 N -0.82 -2.37 0.09 0.55 3.41 -0.15 -4.83 113.62 109.51 3mia n SER 123 Ca 0.00 -0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.24 3mia n SER 123 Cb 0.05 -1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 62.86 3mia n SER 123 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3mia h GLU 124 N -2.44 0.31 -0.61 4.33 4.39 -1.99 -3.13 114.58 115.44 3mia h GLU 124 Ca -0.55 -0.44 -0.10 0.00 0.34 0.00 0.00 59.36 58.61 3mia h GLU 124 Cb 1.32 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 3mia h GLU 124 CO 0.40 1.17 -0.01 0.00 -1.16 0.00 0.00 179.01 179.41 3mia h ALA 125 N 0.65 0.82 0.13 3.43 0.00 -1.92 0.69 119.26 123.06 3mia h ALA 125 Ca -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3mia h ALA 125 Cb 1.83 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3mia h ALA 125 CO 0.19 0.68 -0.06 -0.92 0.00 0.00 0.00 179.25 179.13 3mia h TYR 126 N 0.98 -0.16 -0.90 0.00 3.20 -1.79 -1.66 116.97 116.63 3mia h TYR 126 Ca 0.17 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.28 3mia h TYR 126 Cb 0.58 0.05 -0.14 0.00 1.54 0.00 0.00 36.73 38.77 3mia h TYR 126 CO 0.04 -0.10 0.32 -0.07 -1.64 0.00 0.00 178.16 176.71 3mia h LEU 127 N -0.21 0.17 -0.20 2.82 3.38 -1.62 0.42 115.31 120.07 3mia h LEU 127 Ca -0.02 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3mia h LEU 127 Cb 0.14 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3mia h LEU 127 CO 0.03 -0.11 -0.38 -0.61 0.09 0.00 0.00 178.44 177.47 3mia h GLN 128 N 0.28 -0.40 -0.37 1.13 5.75 -0.78 -2.14 115.11 118.58 3mia h GLN 128 Ca 0.58 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 59.02 3mia h GLN 128 Cb 1.16 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 3mia h GLN 128 CO -0.61 -0.26 -0.10 -0.56 -2.65 0.00 0.00 178.83 174.65 3mia h GLN 129 N -0.41 0.64 -0.23 1.69 3.07 0.02 -1.61 115.11 118.28 3mia h GLN 129 Ca 0.10 -0.19 0.07 0.00 0.09 0.00 0.00 58.65 58.72 3mia h GLN 129 Cb 0.58 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 3mia h GLN 129 CO -0.42 0.73 0.38 0.28 0.09 0.00 0.00 178.83 179.88 3mia h VAL 130 N 0.59 0.24 0.18 1.86 2.07 -0.53 0.29 116.25 120.94 3mia h VAL 130 Ca 0.11 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.27 3mia h VAL 130 Cb 0.52 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3mia h VAL 130 CO 0.03 0.00 -1.80 1.56 0.02 0.00 0.00 177.57 177.38 3mia h GLN 131 N 0.00 0.38 -0.74 1.57 1.08 -1.06 -3.09 115.11 113.25 3mia h GLN 131 Ca 0.11 -0.64 0.05 0.00 -1.45 0.00 0.00 58.65 56.72 3mia h GLN 131 Cb 0.86 0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 28.49 3mia h GLN 131 CO -0.00 1.31 0.48 -0.44 -0.95 0.00 0.00 178.83 179.23 3mia h ASP 132 N 0.10 0.72 -0.00 1.46 3.32 -0.20 0.52 116.42 122.34 3mia h ASP 132 Ca -0.36 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3mia h ASP 132 Cb 2.09 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.48 3mia h ASP 132 CO 0.16 0.48 -0.00 0.25 -1.72 0.00 0.00 179.24 178.41 3mia h LEU 133 N 0.83 0.00 -0.72 1.55 6.46 -1.24 -1.82 115.31 120.37 3mia h LEU 133 Ca 0.31 -0.43 0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3mia h LEU 133 Cb 0.17 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 3mia h LEU 133 CO -0.10 0.43 0.41 0.58 -0.62 0.00 0.00 178.44 179.15 3mia h VAL 134 N -0.43 0.97 -0.54 1.05 2.07 -1.23 -1.68 116.25 116.47 3mia h VAL 134 Ca 0.00 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3mia h VAL 134 Cb 0.43 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3mia h VAL 134 CO 0.00 0.14 0.23 0.40 0.02 0.00 0.00 177.57 178.36 3mia h ILE 135 N 0.75 1.21 -0.88 4.57 2.04 0.03 -2.84 117.51 122.40 3mia h ILE 135 Ca 0.32 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3mia h ILE 135 Cb 0.20 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3mia h ILE 135 CO -0.19 0.25 0.52 0.25 0.00 0.00 0.00 178.15 178.97 3mia h LEU 136 N 0.72 1.06 -1.83 1.44 5.85 -0.73 -1.43 115.31 120.39 3mia h LEU 136 Ca 0.18 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3mia h LEU 136 Cb 0.17 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3mia h LEU 136 CO -0.02 0.83 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.70 3mia h GLU 137 N 1.21 0.00 -0.00 1.25 4.81 -1.15 0.41 114.58 121.11 3mia h GLU 137 Ca 0.31 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 3mia h GLU 137 Cb -0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3mia h GLU 137 CO -0.06 0.13 -0.82 0.77 -0.73 0.00 0.00 179.01 178.30 3mia h SER 138 N 0.00 0.10 0.76 1.04 0.02 -1.05 -1.66 113.55 112.75 3mia h SER 138 Ca -0.00 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.62 3mia h SER 138 Cb 0.25 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3mia h SER 138 CO 0.02 0.87 -1.20 0.40 -1.14 0.00 0.00 176.83 175.78 3mia h ILE 139 N 0.04 1.52 -0.40 3.27 2.04 -0.58 -2.56 117.51 120.84 3mia h ILE 139 Ca -0.02 -3.17 -0.09 0.00 1.00 0.00 0.00 64.86 62.58 3mia h ILE 139 Cb 1.44 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.36 3mia h ILE 139 CO 0.11 0.90 -0.11 0.40 0.00 0.00 0.00 178.15 179.45 3mia h ILE 140 N 0.04 1.28 -0.71 -0.67 2.04 -0.23 -1.01 117.51 118.24 3mia h ILE 140 Ca -0.10 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3mia h ILE 140 Cb 1.90 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 3mia h ILE 140 CO 0.16 0.41 0.42 -0.07 0.00 0.00 0.00 178.15 179.07 3mia h LEU 141 N 0.60 0.86 -0.52 1.44 3.38 -1.32 -1.20 115.31 118.55 3mia h LEU 141 Ca 0.10 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3mia h LEU 141 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3mia h LEU 141 CO 0.04 0.68 -0.73 1.56 0.09 0.00 0.00 178.44 180.08 3mia h GLN 142 N 0.98 0.05 -0.09 1.13 4.20 -1.39 0.33 115.11 120.31 3mia h GLN 142 Ca 0.26 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.71 3mia h GLN 142 Cb -0.02 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3mia h GLN 142 CO -0.05 0.76 -0.79 1.15 -0.67 0.00 0.00 178.83 179.23 3mia h THR 143 N 0.03 1.34 -0.00 -0.54 2.02 -0.90 -2.42 112.91 112.44 3mia h THR 143 Ca -0.01 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3mia h THR 143 Cb 1.30 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 3mia h THR 143 CO 0.10 0.65 0.00 0.18 0.37 0.00 0.00 175.52 176.82 3mia n LEU 144 N -3.86 0.09 -1.83 2.58 4.77 -0.48 -4.86 117.00 113.41 3mia n LEU 144 Ca -0.06 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.71 3mia n LEU 144 Cb 0.75 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 3mia n LEU 144 CO 0.51 0.02 -0.21 0.61 -1.33 0.00 0.00 177.39 176.98 3mia n GLY 145 N 0.91 0.19 2.59 -0.72 0.00 -0.91 -2.07 105.19 105.18 3mia n GLY 145 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3mia n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mia n PHE 146 N -3.62 0.00 -2.91 1.61 3.72 0.11 -4.94 117.46 111.43 3mia n PHE 146 Ca -0.20 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.77 3mia n PHE 146 Cb 0.64 -2.50 -0.04 0.00 -0.94 0.00 0.00 39.48 36.63 3mia n PHE 146 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mia s GLU 147 N -2.85 3.22 -0.02 -1.08 2.12 -0.88 -4.90 118.70 114.32 3mia s GLU 147 Ca 0.00 -0.57 0.19 0.00 0.36 0.00 0.00 54.97 54.95 3mia s GLU 147 Cb 0.00 -4.11 -0.27 0.00 0.26 0.00 0.00 34.13 30.01 3mia s GLU 147 CO 0.00 -1.52 0.53 1.28 -0.54 0.00 0.00 175.26 175.01 3mia n LEU 148 N 7.25 0.26 -4.63 2.70 4.77 -1.26 -4.95 117.00 121.14 3mia n LEU 148 Ca -0.02 -0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 3mia n LEU 148 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3mia n LEU 148 CO 0.62 0.06 0.92 -0.89 -1.33 0.00 0.00 177.39 176.77 3mia s THR 149 N -3.16 4.51 -0.25 -5.08 2.01 -1.26 -5.01 115.64 107.39 3mia s THR 149 Ca -0.03 1.60 -0.03 0.00 0.31 0.00 0.00 61.69 63.54 3mia s THR 149 Cb 0.13 -4.41 0.02 0.00 0.01 0.00 0.00 72.50 68.25 3mia s THR 149 CO 0.79 -0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.53 3mia s ILE 150 N 3.66 3.06 -0.01 1.82 -1.09 -1.26 -5.09 121.20 122.29 3mia s ILE 150 Ca 0.44 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 57.73 3mia s ILE 150 Cb -0.12 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 3mia s ILE 150 CO 0.17 0.23 0.70 -0.62 -1.23 0.00 0.00 174.94 174.19 3mia s ASP 151 N 1.37 7.08 0.24 3.58 2.15 -1.26 -5.00 116.67 124.83 3mia s ASP 151 Ca 0.01 1.29 0.08 0.00 0.43 0.00 0.00 52.55 54.37 3mia s ASP 151 Cb -0.16 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3mia s ASP 151 CO -0.04 -0.01 0.03 -1.00 -0.17 0.00 0.00 175.17 173.98 3mia s HIS 152 N 0.22 2.81 0.49 -5.34 3.76 -1.26 -4.78 115.29 111.20 3mia s HIS 152 Ca 0.36 -0.18 0.16 0.00 -0.15 0.00 0.00 55.06 55.26 3mia s HIS 152 Cb -0.19 -1.29 1.18 0.00 1.11 0.00 0.00 32.58 33.40 3mia s HIS 152 CO 0.20 0.57 2.08 -1.35 -0.85 0.00 0.00 174.74 175.39 3mia h PRO 153 N 2.06 0.00 -0.01 8.40 0.11 -1.93 -2.81 132.00 137.82 3mia h PRO 153 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mia h PRO 153 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mia h PRO 153 CO 0.60 0.09 0.07 0.45 -0.21 0.00 0.00 178.00 178.99 3mia h HIS 154 N 0.00 0.00 0.37 0.65 3.86 -1.91 -1.24 115.15 116.88 3mia h HIS 154 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3mia h HIS 154 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3mia h HIS 154 CO 0.00 0.00 -0.18 1.15 0.86 0.00 0.00 177.93 179.76 3mia h THR 155 N 0.00 0.07 0.00 2.45 2.02 -1.90 -2.75 112.91 112.80 3mia h THR 155 Ca 0.00 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 3mia h THR 155 Cb 0.14 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3mia h THR 155 CO -0.00 0.02 -0.07 0.45 0.37 0.00 0.00 175.52 176.28 3mia h HIS 156 N -1.12 0.00 0.44 3.16 3.86 -1.66 -2.20 115.15 117.63 3mia h HIS 156 Ca -0.05 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3mia h HIS 156 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3mia h HIS 156 CO 0.01 0.07 -0.21 0.28 0.86 0.00 0.00 177.93 178.94 3mia h VAL 157 N 0.00 0.03 0.08 2.45 2.07 -1.29 -2.17 116.25 117.41 3mia h VAL 157 Ca -0.00 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3mia h VAL 157 Cb 0.26 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 3mia h VAL 157 CO 0.01 0.01 -0.46 0.58 0.02 0.00 0.00 177.57 177.72 3mia h VAL 158 N -1.15 0.00 -0.95 2.57 2.07 -1.35 -1.30 116.25 116.14 3mia h VAL 158 Ca -0.06 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.67 3mia h VAL 158 Cb 0.47 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.06 3mia h VAL 158 CO 0.10 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 178.03 3mia h LYS 159 N -0.64 0.01 -0.40 1.57 3.64 -1.52 -1.68 116.57 117.56 3mia h LYS 159 Ca -0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3mia h LYS 159 Cb 0.65 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3mia h LYS 159 CO -0.27 0.01 -0.07 0.00 -2.27 0.00 0.00 179.45 176.85 3mia h THR 161 N 0.56 1.21 -0.72 0.00 1.35 -0.39 -1.76 112.91 113.17 3mia h THR 161 Ca 0.10 -0.65 0.10 0.00 -0.55 0.00 0.00 66.41 65.41 3mia h THR 161 Cb 0.59 0.73 -0.05 0.00 -1.73 0.00 0.00 68.15 67.69 3mia h THR 161 CO 0.03 0.24 0.48 1.56 -0.25 0.00 0.00 175.52 177.58 3mia h GLN 162 N 0.64 0.59 -0.03 4.72 1.08 -1.34 -0.98 115.11 119.78 3mia h GLN 162 Ca 0.16 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.18 3mia h GLN 162 Cb 0.19 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3mia h GLN 162 CO -0.01 0.39 -0.63 1.25 -0.95 0.00 0.00 178.83 178.87 3mia h LEU 163 N 0.61 0.16 -2.53 1.46 5.85 -1.01 -3.07 115.31 116.77 3mia h LEU 163 Ca 0.33 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3mia h LEU 163 Cb 0.49 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3mia h LEU 163 CO -0.12 0.75 0.00 1.33 -0.34 0.00 0.00 178.44 180.06 3mia n VAL 164 N -3.82 0.73 -3.60 1.05 0.24 -0.80 -4.93 118.33 107.19 3mia n VAL 164 Ca -0.02 -0.87 -0.27 0.00 -2.04 0.00 0.00 64.34 61.15 3mia n VAL 164 Cb 0.63 0.77 0.01 0.00 -1.47 0.00 0.00 33.84 33.78 3mia n VAL 164 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3mia n ARG 165 N 1.57 -4.35 -1.67 7.34 1.74 -0.44 -4.88 116.66 115.96 3mia n ARG 165 Ca 0.22 0.56 -0.40 0.00 -0.77 0.00 0.00 57.85 57.46 3mia n ARG 165 Cb 0.62 -5.37 0.02 0.00 -1.02 0.00 0.00 32.46 26.71 3mia n ARG 165 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mia n ALA 166 N -4.03 0.90 -0.73 7.54 0.00 -0.79 -4.93 120.51 118.47 3mia n ALA 166 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 3mia n ALA 166 Cb 0.54 -2.21 0.16 0.00 0.00 0.00 0.00 19.45 17.94 3mia n ALA 166 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mia n SER 167 N -0.08 0.28 -0.35 0.00 3.41 -1.26 -4.67 113.62 110.95 3mia n SER 167 Ca 0.09 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3mia n SER 167 Cb 0.42 -1.47 0.32 0.00 -0.26 0.00 0.00 64.21 63.22 3mia n SER 167 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3mia h LYS 168 N -1.77 0.75 -0.39 4.33 1.57 -1.99 -0.89 116.57 118.18 3mia h LYS 168 Ca -0.43 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.18 3mia h LYS 168 Cb 1.27 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3mia h LYS 168 CO 0.41 0.50 -0.26 0.22 -0.57 0.00 0.00 179.45 179.75 3mia h ASP 169 N 0.78 0.83 0.25 0.86 3.58 -2.00 -1.51 116.42 119.21 3mia h ASP 169 Ca 0.56 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 3mia h ASP 169 Cb 0.86 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3mia h ASP 169 CO -0.35 1.04 -0.68 0.25 -2.88 0.00 0.00 179.24 176.62 3mia h LEU 170 N 0.69 0.45 0.76 2.28 5.85 -1.65 -2.02 115.31 121.66 3mia h LEU 170 Ca 0.09 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3mia h LEU 170 Cb 0.79 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.69 3mia h LEU 170 CO 0.07 1.00 -0.36 0.00 -0.34 0.00 0.00 178.44 178.80 3mia h ALA 171 N 1.00 -1.25 -0.89 1.25 0.00 -1.02 -0.49 119.26 117.86 3mia h ALA 171 Ca -0.02 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3mia h ALA 171 Cb 1.23 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 3mia h ALA 171 CO 0.12 -1.18 0.51 0.37 0.00 0.00 0.00 179.25 179.07 3mia h GLN 172 N -1.04 0.76 -0.36 0.00 -0.00 -1.33 -1.70 115.11 111.44 3mia h GLN 172 Ca -0.10 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.41 3mia h GLN 172 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 28.07 3mia h GLN 172 CO 0.17 0.51 -0.16 1.15 0.00 0.00 0.00 178.83 180.49 3mia h THR 173 N 0.79 1.26 -0.24 2.39 2.02 -1.29 0.17 112.91 118.00 3mia h THR 173 Ca 0.46 -1.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 3mia h THR 173 Cb 0.52 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3mia h THR 173 CO -0.30 0.39 -0.47 0.28 0.37 0.00 0.00 175.52 175.80 3mia h SER 174 N 0.59 0.68 -0.11 4.18 0.02 -0.22 -1.63 113.55 117.06 3mia h SER 174 Ca 0.10 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.56 3mia h SER 174 Cb 0.61 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3mia h SER 174 CO 0.04 1.04 -0.45 0.22 -1.14 0.00 0.00 176.83 176.54 3mia h TYR 175 N 0.50 0.81 -0.44 3.45 3.20 -1.13 -2.82 116.97 120.54 3mia h TYR 175 Ca 0.03 -0.25 -0.06 0.00 3.14 0.00 0.00 58.73 61.58 3mia h TYR 175 Cb 1.00 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 3mia h TYR 175 CO 0.05 0.99 0.02 0.35 -1.64 0.00 0.00 178.16 177.93 3mia h PHE 176 N 0.53 0.73 0.00 -3.82 3.57 -0.42 -2.35 116.94 115.19 3mia h PHE 176 Ca 0.03 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3mia h PHE 176 Cb 0.99 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 3mia h PHE 176 CO 0.05 0.68 -0.04 0.52 -2.23 0.00 0.00 178.31 177.29 3mia h MET 177 N 0.66 0.00 0.05 1.11 2.86 -1.13 -2.84 114.93 115.65 3mia h MET 177 Ca 0.14 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.54 3mia h MET 177 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3mia h MET 177 CO 0.01 0.04 -1.08 0.00 1.06 0.00 0.00 176.91 176.95 3mia h ALA 178 N 1.96 0.28 -0.11 6.32 0.00 -1.19 -1.75 119.26 124.76 3mia h ALA 178 Ca -0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 3mia h ALA 178 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mia h ALA 178 CO 0.01 1.10 -0.36 1.15 0.00 0.00 0.00 179.25 181.14 3mia h THR 179 N 0.04 1.29 0.09 0.00 2.02 -1.25 -3.11 112.91 111.99 3mia h THR 179 Ca -0.06 -1.40 -0.25 0.00 0.77 0.00 0.00 66.41 65.47 3mia h THR 179 Cb 1.81 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3mia h THR 179 CO 0.16 0.42 -1.15 0.78 0.37 0.00 0.00 175.52 176.09 3mia h ASN 180 N 0.19 0.33 0.08 4.18 2.35 -1.43 -2.96 115.58 118.32 3mia h ASN 180 Ca 0.02 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3mia h ASN 180 Cb 0.74 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3mia h ASN 180 CO 0.06 1.25 -0.05 0.77 -1.65 0.00 0.00 177.43 177.81 3mia h SER 181 N 0.07 0.00 -0.08 5.81 4.64 -1.25 0.78 113.55 123.51 3mia h SER 181 Ca -0.10 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.01 3mia h SER 181 Cb 1.88 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.98 3mia h SER 181 CO 0.18 0.05 -0.75 -0.07 -0.87 0.00 0.00 176.83 175.37 3mia h LEU 182 N 0.00 0.81 0.24 5.97 3.38 -1.48 -2.42 115.31 121.81 3mia h LEU 182 Ca -0.00 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 3mia h LEU 182 Cb 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3mia h LEU 182 CO 0.01 1.36 -0.11 0.45 0.09 0.00 0.00 178.44 180.23 3mia h HIS 183 N 0.32 -0.30 0.22 1.13 3.86 -1.17 -3.42 115.15 115.79 3mia h HIS 183 Ca -0.07 -0.01 -0.32 0.00 -1.16 0.00 0.00 60.37 58.81 3mia h HIS 183 Cb 1.41 0.10 0.03 0.00 1.06 0.00 0.00 27.41 30.00 3mia h HIS 183 CO 0.11 0.03 -1.48 -0.07 0.86 0.00 0.00 177.93 177.37 3mia h LEU 184 N -0.97 0.73-10.34 2.43 3.38 0.40 -3.35 115.31 107.60 3mia h LEU 184 Ca -0.03 -0.93 -0.52 0.00 0.09 0.00 0.00 57.88 56.49 3mia h LEU 184 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3mia h LEU 184 CO 0.05 1.70 -0.29 0.42 0.09 0.00 0.00 178.44 180.41 3mia s THR 185 N -2.57 2.23 -0.18 0.22 -4.23 -0.91 -4.90 115.64 105.29 3mia s THR 185 Ca -0.12 -1.31 0.16 0.00 -1.18 0.00 0.00 61.69 59.24 3mia s THR 185 Cb 0.04 -2.54 0.51 0.00 1.34 0.00 0.00 72.50 71.85 3mia s THR 185 CO 0.90 0.00 1.41 0.35 -0.54 0.00 0.00 174.62 176.74 3mia n THR 186 N -1.77 2.28 -0.34 3.99 -2.24 -1.26 -4.61 114.28 110.33 3mia n THR 186 Ca 0.04 -1.98 0.30 0.00 -2.27 0.00 0.00 64.05 60.14 3mia n THR 186 Cb 0.62 -0.26 0.63 0.00 -2.10 0.00 0.00 70.33 69.22 3mia n THR 186 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3mia h PHE 187 N 1.58 0.37 -0.45 4.78 0.04 -1.96 0.85 116.94 122.16 3mia h PHE 187 Ca 0.02 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.93 3mia h PHE 187 Cb 1.43 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.46 3mia h PHE 187 CO 0.50 0.01 0.55 0.77 -0.60 0.00 0.00 178.31 179.54 3mia h SER 188 N 0.20 0.00 -0.09 2.17 0.02 -1.82 0.58 113.55 114.60 3mia h SER 188 Ca 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 3mia h SER 188 Cb 1.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3mia h SER 188 CO -0.19 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.68 3mia n LEU 189 N -3.53 2.65 0.00 5.07 4.77 0.29 -4.64 117.00 121.62 3mia n LEU 189 Ca 0.08 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3mia n LEU 189 Cb 0.73 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3mia n LEU 189 CO 0.25 0.50 -0.34 0.00 -1.33 0.00 0.00 177.39 176.46 3mia n GLN 190 N 1.04 2.67 -4.22 3.23 6.02 0.13 -0.65 117.38 125.60 3mia n GLN 190 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.92 3mia n GLN 190 Cb 0.47 -0.84 -0.12 0.00 1.02 0.00 0.00 30.24 30.76 3mia n GLN 190 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mia s TYR 191 N -1.66 1.25 0.54 1.08 2.02 0.16 -4.77 117.35 115.97 3mia s TYR 191 Ca 0.00 -0.43 -0.21 0.00 -0.37 0.00 0.00 57.07 56.06 3mia s TYR 191 Cb 0.00 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 3mia s TYR 191 CO 0.00 0.06 1.25 0.95 -1.57 0.00 0.00 175.55 176.24 3mia s THR 192 N -1.17 2.55 0.29 -0.71 -4.23 -1.26 -4.59 115.64 106.51 3mia s THR 192 Ca -0.01 0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 3mia s THR 192 Cb -0.10 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.86 3mia s THR 192 CO 0.02 -0.03 1.67 -0.65 -0.54 0.00 0.00 174.62 175.09 3mia h PRO 193 N 1.39 0.30 -0.59 3.99 0.11 -1.92 -0.60 132.00 134.68 3mia h PRO 193 Ca -0.50 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3mia h PRO 193 Cb 1.29 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3mia h PRO 193 CO 0.57 0.20 0.39 -1.35 -0.21 0.00 0.00 178.00 177.60 3mia h PRO 194 N 0.31 0.64 -0.06 1.05 0.11 -1.89 -0.19 132.00 131.97 3mia h PRO 194 Ca 0.55 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.55 3mia h PRO 194 Cb 1.07 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3mia h PRO 194 CO -0.58 0.42 -0.25 0.28 -0.21 0.00 0.00 178.00 177.67 3mia h VAL 195 N 0.66 1.43 -0.57 3.15 2.07 -1.43 -2.37 116.25 119.18 3mia h VAL 195 Ca 0.24 -1.65 0.07 0.00 0.82 0.00 0.00 66.70 66.19 3mia h VAL 195 Cb 0.14 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3mia h VAL 195 CO -0.07 0.47 0.38 0.58 0.02 0.00 0.00 177.57 178.95 3mia h VAL 196 N -0.23 0.95 -0.44 2.57 2.07 -1.08 0.12 116.25 120.22 3mia h VAL 196 Ca -0.01 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 3mia h VAL 196 Cb 0.88 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3mia h VAL 196 CO 0.05 0.09 -0.16 0.00 0.02 0.00 0.00 177.57 177.56 3mia h ALA 197 N 1.70 0.89 -0.55 1.67 0.00 -0.93 -1.90 119.26 120.15 3mia h ALA 197 Ca 0.25 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3mia h ALA 197 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mia h ALA 197 CO -0.07 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 3mia h VAL 199 N 0.89 1.23 -0.00 0.00 2.07 -0.59 -1.34 116.25 118.51 3mia h VAL 199 Ca 0.15 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 3mia h VAL 199 Cb 0.59 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3mia h VAL 199 CO 0.04 0.31 -0.60 0.00 0.02 0.00 0.00 177.57 177.34 3mia h ILE 201 N 0.00 1.29 -0.38 0.00 2.04 -1.25 -2.43 117.51 116.78 3mia h ILE 201 Ca -0.01 -2.79 -0.02 0.00 1.00 0.00 0.00 64.86 63.04 3mia h ILE 201 Cb 1.06 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 40.07 3mia h ILE 201 CO 0.08 0.84 0.16 -0.74 0.00 0.00 0.00 178.15 178.48 3mia h HIS 202 N 0.11 0.52 0.06 1.37 2.76 -1.25 -2.16 115.15 116.58 3mia h HIS 202 Ca -0.23 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 3mia h HIS 202 Cb 2.09 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.89 3mia h HIS 202 CO 0.10 0.41 -0.03 1.25 -1.30 0.00 0.00 177.93 178.36 3mia h LEU 203 N 0.53 -0.07 -2.30 0.26 5.85 -1.52 -2.84 115.31 115.22 3mia h LEU 203 Ca 0.13 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3mia h LEU 203 Cb 0.10 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3mia h LEU 203 CO -0.01 0.62 0.05 0.00 -0.34 0.00 0.00 178.44 178.76 3mia h ALA 204 N -0.30 1.04 0.06 1.25 0.00 -1.41 -0.36 119.26 119.55 3mia h ALA 204 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 3mia h ALA 204 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3mia h ALA 204 CO 0.01 -0.04 -1.32 0.00 0.00 0.00 0.00 179.25 177.90 3mia h LYS 206 N 0.04 0.13 -0.44 0.00 1.57 -0.81 0.14 116.57 117.19 3mia h LYS 206 Ca -0.15 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3mia h LYS 206 Cb 1.92 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 3mia h LYS 206 CO 0.15 0.34 0.29 -1.49 -0.57 0.00 0.00 179.45 178.17 3mia h TRP 207 N -0.10 0.47 -0.11 -1.35 6.55 -1.57 0.44 115.95 120.30 3mia h TRP 207 Ca 0.02 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3mia h TRP 207 Cb 0.27 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 3mia h TRP 207 CO 0.01 0.28 0.00 0.43 -1.05 0.00 0.00 178.44 178.11 3mia n SER 208 N -4.48 1.88 -4.30 -3.49 7.64 -1.04 -4.93 113.62 104.90 3mia n SER 208 Ca 0.05 -1.67 -0.36 0.00 1.01 0.00 0.00 58.87 57.90 3mia n SER 208 Cb 0.14 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 3mia n SER 208 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3mia n ASN 209 N 0.46 -1.50 -4.50 6.43 4.05 0.31 -4.92 115.26 115.59 3mia n ASN 209 Ca 0.17 -1.14 -0.35 0.00 0.45 0.00 0.00 54.58 53.72 3mia n ASN 209 Cb 0.39 -2.21 -0.12 0.00 1.23 0.00 0.00 39.78 39.08 3mia n ASN 209 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3mia s TRP 210 N -3.61 3.08 -0.74 1.20 -0.00 -0.27 -5.03 118.94 113.58 3mia s TRP 210 Ca 0.50 -0.29 -0.09 0.00 -0.00 0.00 0.00 56.10 56.22 3mia s TRP 210 Cb -0.28 -2.06 0.19 0.00 -0.00 0.00 0.00 33.47 31.32 3mia s TRP 210 CO 0.97 -0.10 0.62 -2.00 -0.00 0.00 0.00 176.95 176.44 3mia s GLU 211 N 0.72 3.15 -0.36 5.86 2.56 -1.26 -4.69 118.70 124.68 3mia s GLU 211 Ca 0.00 -2.49 -0.40 0.00 0.00 0.00 0.00 54.97 52.08 3mia s GLU 211 Cb -0.14 -4.12 -0.16 0.00 2.00 0.00 0.00 34.13 31.71 3mia s GLU 211 CO 0.02 -1.24 1.91 -0.89 -0.56 0.00 0.00 175.26 174.50 3mia n ILE 212 N 3.76 0.20 -1.54 -3.70 5.41 -1.26 -4.84 119.36 117.39 3mia n ILE 212 Ca 0.11 -0.09 -0.44 0.00 1.00 0.00 0.00 62.75 63.33 3mia n ILE 212 Cb 0.43 -1.13 -0.01 0.00 -0.71 0.00 0.00 39.64 38.22 3mia n ILE 212 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3mia n PRO 213 N 6.29 1.00 -2.81 0.38 -0.02 -1.26 -4.78 135.00 133.79 3mia n PRO 213 Ca 0.35 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3mia n PRO 213 Cb 0.10 -1.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 3mia n PRO 213 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mia s VAL 214 N -1.16 4.71 -0.34 -1.45 1.01 -1.26 -4.61 120.40 117.30 3mia s VAL 214 Ca 0.61 1.52 -0.43 0.00 0.00 0.00 0.00 61.98 63.68 3mia s VAL 214 Cb -0.70 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.27 3mia s VAL 214 CO 0.59 -0.27 1.65 -1.20 0.00 0.00 0.00 175.10 175.87 3mia n SER 215 N 6.36 1.83 0.00 3.32 7.64 -0.80 -4.55 113.62 127.42 3mia n SER 215 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3mia n SER 215 Cb 0.47 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 3mia n SER 215 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mia n THR 216 N 4.18 0.00 -4.04 0.44 -2.24 -1.26 0.35 114.28 111.71 3mia n THR 216 Ca 0.28 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.73 3mia n THR 216 Cb 0.06 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 3mia n THR 216 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3mia n ASP 217 N 0.00 -1.60 0.00 3.42 4.64 -1.26 -4.82 116.55 116.93 3mia n ASP 217 Ca 0.00 -1.15 0.00 0.00 -1.38 0.00 0.00 54.79 52.26 3mia n ASP 217 Cb 0.00 -2.38 0.00 0.00 -1.04 0.00 0.00 41.12 37.70 3mia n ASP 217 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3mia n GLY 218 N -2.14 2.28 3.79 0.27 0.00 0.16 -5.17 105.19 104.38 3mia n GLY 218 Ca -0.24 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3mia n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mia s LYS 219 N 4.55 3.27 0.54 1.61 1.02 -1.25 -4.70 119.74 124.78 3mia s LYS 219 Ca 0.00 1.35 -0.07 0.00 0.02 0.00 0.00 55.97 57.26 3mia s LYS 219 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 3mia s LYS 219 CO 0.00 -0.87 0.88 -1.01 -0.92 0.00 0.00 175.35 173.44 3mia s HIS 220 N -2.23 3.56 0.30 3.18 3.76 -1.26 -1.90 115.29 120.70 3mia s HIS 220 Ca 0.67 0.97 0.05 0.00 -0.15 0.00 0.00 55.06 56.60 3mia s HIS 220 Cb -0.19 -2.49 0.73 0.00 1.11 0.00 0.00 32.58 31.74 3mia s HIS 220 CO 0.33 -0.47 1.77 0.11 -0.85 0.00 0.00 174.74 175.64 3mia h TRP 221 N -0.01 1.04 0.00 1.40 5.08 -1.86 0.32 115.95 121.93 3mia h TRP 221 Ca -0.46 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.55 3mia h TRP 221 Cb 1.20 -0.31 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 3mia h TRP 221 CO 0.60 0.22 0.00 -2.67 -1.28 0.00 0.00 178.44 175.32 3mia n TRP 222 N -4.78 0.00 1.56 0.12 2.14 -1.26 -1.69 117.44 113.52 3mia n TRP 222 Ca 0.23 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.94 3mia n TRP 222 Cb 0.57 -0.29 0.58 0.00 -0.81 0.00 0.00 31.31 31.35 3mia n TRP 222 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3mia n GLU 223 N -1.29 1.50 -0.19 -2.67 1.02 0.10 -1.70 120.64 117.41 3mia n GLU 223 Ca 0.07 -0.78 0.05 0.00 -0.02 0.00 0.00 57.16 56.48 3mia n GLU 223 Cb 0.12 -1.48 0.15 0.00 -0.02 0.00 0.00 31.44 30.21 3mia n GLU 223 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mia n TYR 224 N -0.07 0.47 0.00 -0.32 4.02 -0.68 -4.46 117.16 116.11 3mia n TYR 224 Ca 0.19 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3mia n TYR 224 Cb 0.32 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3mia n TYR 224 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3mia n VAL 225 N 0.21 0.00 -3.64 -0.72 0.31 -1.13 -4.95 118.33 108.40 3mia n VAL 225 Ca 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.40 3mia n VAL 225 Cb 0.48 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.82 3mia n VAL 225 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mia s ASP 226 N -2.15 -0.25 0.24 4.52 -1.08 -0.69 -4.81 116.67 112.45 3mia s ASP 226 Ca 0.00 0.46 0.24 0.00 -0.52 0.00 0.00 52.55 52.73 3mia s ASP 226 Cb 0.00 0.62 0.39 0.00 -1.46 0.00 0.00 42.92 42.47 3mia s ASP 226 CO 0.00 -0.08 1.46 0.00 0.52 0.00 0.00 175.17 177.07 3mia h ALA 227 N 4.11 0.78 -0.00 3.66 0.00 -1.84 -3.33 119.26 122.63 3mia h ALA 227 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mia h ALA 227 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mia h ALA 227 CO 0.16 0.00 -0.50 0.25 0.00 0.00 0.00 179.25 179.17 3mia n THR 228 N -2.51 0.00 -2.35 0.00 -2.24 -1.26 -4.92 114.28 101.00 3mia n THR 228 Ca 0.03 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 3mia n THR 228 Cb 0.48 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3mia n THR 228 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mia s VAL 229 N -2.90 3.22 0.13 2.28 1.01 -1.25 -5.05 120.40 117.83 3mia s VAL 229 Ca 0.13 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.35 3mia s VAL 229 Cb 0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3mia s VAL 229 CO 0.68 0.25 -0.14 0.42 0.00 0.00 0.00 175.10 176.31 3mia s THR 230 N -1.22 1.35 0.26 3.92 -4.23 -1.26 -4.95 115.64 109.51 3mia s THR 230 Ca 0.48 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3mia s THR 230 Cb -0.34 -1.62 0.27 0.00 1.34 0.00 0.00 72.50 72.15 3mia s THR 230 CO 0.43 -0.47 1.91 0.25 -0.54 0.00 0.00 174.62 176.20 3mia h LEU 231 N 3.34 1.09 -0.43 4.79 5.85 -2.00 -2.38 115.31 125.57 3mia h LEU 231 Ca -0.39 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.38 3mia h LEU 231 Cb 1.20 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 3mia h LEU 231 CO 0.53 0.75 0.10 -0.33 -0.34 0.00 0.00 178.44 179.15 3mia h GLU 232 N 1.27 0.23 0.76 1.25 3.07 -2.00 -2.39 114.58 116.76 3mia h GLU 232 Ca 0.40 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.21 3mia h GLU 232 Cb -0.00 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3mia h GLU 232 CO -0.12 0.15 -0.37 1.25 -1.40 0.00 0.00 179.01 178.52 3mia h LEU 233 N 0.24 -0.87 -1.99 1.33 5.85 -1.85 -2.32 115.31 115.70 3mia h LEU 233 Ca 0.21 0.03 0.34 0.00 0.84 0.00 0.00 57.88 59.30 3mia h LEU 233 Cb 0.25 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3mia h LEU 233 CO -0.26 -0.62 0.85 -0.07 -0.34 0.00 0.00 178.44 177.99 3mia h LEU 234 N -1.02 0.01 0.16 2.25 3.38 -1.29 0.12 115.31 118.92 3mia h LEU 234 Ca -0.10 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.59 3mia h LEU 234 Cb 0.79 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.57 3mia h LEU 234 CO 0.17 0.00 -1.19 0.44 0.09 0.00 0.00 178.44 177.95 3mia h ASP 235 N 0.01 0.77 -0.20 -0.43 3.32 -1.15 -2.41 116.42 116.33 3mia h ASP 235 Ca 0.56 -0.87 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 3mia h ASP 235 Cb 2.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 41.53 3mia h ASP 235 CO -0.01 1.57 0.05 -0.08 -1.72 0.00 0.00 179.24 179.05 3mia h GLU 236 N 0.08 0.33 -0.22 3.56 4.81 -0.31 -1.20 114.58 121.64 3mia h GLU 236 Ca -0.19 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 3mia h GLU 236 Cb 1.90 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.22 3mia h GLU 236 CO 0.23 0.46 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.55 3mia h LEU 237 N 0.14 0.47 -0.23 1.64 3.38 -1.09 0.86 115.31 120.48 3mia h LEU 237 Ca 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3mia h LEU 237 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3mia h LEU 237 CO 0.00 0.78 0.02 0.74 0.09 0.00 0.00 178.44 180.07 3mia h THR 238 N 0.39 1.24 -0.78 0.22 2.02 -1.34 0.19 112.91 114.85 3mia h THR 238 Ca 0.05 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3mia h THR 238 Cb 0.79 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 3mia h THR 238 CO 0.06 0.26 0.47 -0.74 0.37 0.00 0.00 175.52 175.94 3mia h HIS 239 N 0.19 1.03 -0.37 3.16 -0.00 -1.06 -1.20 115.15 116.89 3mia h HIS 239 Ca 0.07 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 3mia h HIS 239 Cb 0.37 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 3mia h HIS 239 CO 0.03 0.69 0.02 1.49 -0.00 0.00 0.00 177.93 180.16 3mia h GLU 240 N 1.07 0.58 -0.22 5.26 4.81 -0.40 -1.85 114.58 123.83 3mia h GLU 240 Ca 0.28 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3mia h GLU 240 Cb -0.03 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3mia h GLU 240 CO -0.05 0.59 -0.42 0.35 -0.73 0.00 0.00 179.01 178.76 3mia h PHE 241 N 0.56 0.84 -0.67 0.92 -0.00 -0.08 -3.03 116.94 115.48 3mia h PHE 241 Ca 0.12 -0.30 -0.06 0.00 -0.00 0.00 0.00 57.97 57.73 3mia h PHE 241 Cb 0.33 -0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 36.10 3mia h PHE 241 CO 0.01 1.07 0.17 -0.07 -0.00 0.00 0.00 178.31 179.49 3mia h LEU 242 N 0.37 0.99 -1.22 0.59 3.38 -1.00 -1.71 115.31 116.71 3mia h LEU 242 Ca 0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3mia h LEU 242 Cb 1.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3mia h LEU 242 CO 0.09 0.95 0.06 1.56 0.09 0.00 0.00 178.44 181.19 3mia h GLN 243 N 1.01 0.59 0.01 1.13 4.20 -1.37 0.06 115.11 120.74 3mia h GLN 243 Ca 0.21 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3mia h GLN 243 Cb 0.34 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3mia h GLN 243 CO -0.00 0.58 -0.01 0.82 -0.67 0.00 0.00 178.83 179.55 3mia h ILE 244 N 0.58 1.12 -0.26 2.54 2.04 -1.31 -2.22 117.51 120.00 3mia h ILE 244 Ca 0.13 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3mia h ILE 244 Cb 0.28 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3mia h ILE 244 CO 0.00 0.11 0.21 -0.07 0.00 0.00 0.00 178.15 178.40 3mia h LEU 245 N -0.20 0.00 -0.05 1.44 3.38 -0.49 -0.13 115.31 119.26 3mia h LEU 245 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mia h LEU 245 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mia h LEU 245 CO 0.00 0.00 -0.05 1.21 0.09 0.00 0.00 178.44 179.69 3mia n GLU 246 N -4.20 0.39 -0.03 1.13 4.07 -0.07 -3.36 120.64 118.56 3mia n GLU 246 Ca 0.03 -0.05 0.08 0.00 -0.06 0.00 0.00 57.16 57.16 3mia n GLU 246 Cb 0.36 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 30.33 3mia n GLU 246 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3mia n LYS 247 N -1.26 1.36 -1.23 5.31 5.02 -0.07 -4.65 118.16 122.66 3mia n LYS 247 Ca 0.13 -1.53 -0.32 0.00 -2.02 0.00 0.00 58.31 54.56 3mia n LYS 247 Cb 0.27 -1.31 0.11 0.00 -0.02 0.00 0.00 35.03 34.08 3mia n LYS 247 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mia s THR 248 N -1.27 2.58 0.15 -0.18 -4.23 -1.20 -4.89 115.64 106.60 3mia s THR 248 Ca 0.20 0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 60.64 3mia s THR 248 Cb 0.13 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 3mia s THR 248 CO 0.20 -0.20 1.55 -0.65 -0.54 0.00 0.00 174.62 174.98 3mia h PRO 249 N -0.89 -0.21 -1.59 3.99 0.11 -1.94 -1.60 132.00 129.87 3mia h PRO 249 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mia h PRO 249 Cb 1.27 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3mia h PRO 249 CO 0.48 -0.14 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 3mia n ASN 250 N -5.35 3.13 -2.70 -2.05 3.02 -1.26 -2.71 115.26 107.34 3mia n ASN 250 Ca -0.00 -1.78 -0.05 0.00 -0.03 0.00 0.00 54.58 52.71 3mia n ASN 250 Cb 0.32 -0.61 0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3mia n ASN 250 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mia n ARG 251 N 1.08 1.30 0.00 3.52 1.74 -0.60 -5.13 116.66 118.56 3mia n ARG 251 Ca 0.00 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.77 3mia n ARG 251 Cb 0.38 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 3mia n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3mia n LEU 252 N -0.66 0.00 0.00 0.55 4.77 -1.10 -4.46 117.00 116.10 3mia n LEU 252 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3mia n LEU 252 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3mia n LEU 252 CO 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.08