#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6l s SER 4 N 0.00 0.28 0.00 -5.58 0.15 -1.26 -5.04 113.70 102.25 3a6l s SER 4 Ca 0.00 -0.75 0.25 0.00 0.70 0.00 0.00 55.95 56.15 3a6l s SER 4 Cb 0.00 0.25 0.52 0.00 -1.71 0.00 0.00 66.02 65.08 3a6l s SER 4 CO 0.00 -0.61 1.43 1.33 1.20 0.00 0.00 173.24 176.59 3a6l n VAL 5 N 0.27 0.00 -2.76 4.45 0.24 -1.26 -4.84 118.33 114.43 3a6l n VAL 5 Ca -0.16 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.71 3a6l n VAL 5 Cb 0.61 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 3a6l n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a6l s PHE 6 N -2.99 3.24 0.29 6.34 0.40 -1.26 0.63 117.98 124.62 3a6l s PHE 6 Ca 0.11 1.17 0.03 0.00 -0.60 0.00 0.00 56.93 57.64 3a6l s PHE 6 Cb 0.18 -3.35 0.68 0.00 0.51 0.00 0.00 43.02 41.03 3a6l s PHE 6 CO 0.69 -0.58 1.73 0.28 0.70 0.00 0.00 175.22 178.05 3a6l h VAL 7 N 5.57 0.59 -0.03 -0.44 2.07 -1.19 0.95 116.25 123.76 3a6l h VAL 7 Ca -0.21 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3a6l h VAL 7 Cb 1.07 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3a6l h VAL 7 CO 0.96 0.10 0.08 1.23 0.02 0.00 0.00 177.57 179.95 3a6l h GLY 8 N 0.53 0.00 -2.59 2.17 0.00 -1.92 -1.17 103.07 100.08 3a6l h GLY 8 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3a6l h GLY 8 CO -0.45 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.27 3a6l n GLU 9 N -3.39 2.85 -4.24 4.80 1.02 0.33 -4.93 120.64 117.08 3a6l n GLU 9 Ca -0.02 -2.48 -0.24 0.00 -0.02 0.00 0.00 57.16 54.41 3a6l n GLU 9 Cb 0.16 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 3a6l n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a6l s LEU 10 N -1.23 3.36 0.52 -4.62 1.43 -0.44 -4.84 118.68 112.86 3a6l s LEU 10 Ca 0.45 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 3a6l s LEU 10 Cb 0.25 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3a6l s LEU 10 CO 0.28 0.01 0.84 0.42 0.23 0.00 0.00 176.35 178.13 3a6l s THR 11 N -2.15 4.55 0.48 5.49 -4.23 -1.26 -4.92 115.64 113.61 3a6l s THR 11 Ca 0.31 0.20 0.15 0.00 -1.18 0.00 0.00 61.69 61.17 3a6l s THR 11 Cb -0.07 -3.75 0.24 0.00 1.34 0.00 0.00 72.50 70.25 3a6l s THR 11 CO 0.21 -0.77 2.09 4.11 -0.54 0.00 0.00 174.62 179.71 3a6l h TRP 12 N 0.07 0.05 -0.68 3.99 5.08 -1.99 -2.09 115.95 120.38 3a6l h TRP 12 Ca -0.46 -0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.46 3a6l h TRP 12 Cb 1.22 -0.02 -0.03 0.00 -3.00 0.00 0.00 29.16 27.33 3a6l h TRP 12 CO 0.56 0.09 0.24 0.87 -1.28 0.00 0.00 178.44 178.92 3a6l h LYS 13 N 0.05 1.04 -0.16 0.12 1.79 -1.99 0.84 116.57 118.26 3a6l h LYS 13 Ca 0.01 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 3a6l h LYS 13 Cb 0.11 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3a6l h LYS 13 CO 0.01 0.89 -0.13 0.93 -1.08 0.00 0.00 179.45 180.07 3a6l h GLU 14 N 0.98 0.36 -0.47 3.15 5.08 -1.79 -1.82 114.58 120.07 3a6l h GLU 14 Ca 0.22 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3a6l h GLU 14 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3a6l h GLU 14 CO -0.01 0.72 0.22 -0.92 -1.00 0.00 0.00 179.01 178.01 3a6l h TYR 15 N 0.01 0.39 -0.60 4.33 3.20 -1.24 -1.15 116.97 121.91 3a6l h TYR 15 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3a6l h TYR 15 Cb 0.64 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3a6l h TYR 15 CO 0.08 0.18 0.35 1.49 -1.64 0.00 0.00 178.16 178.62 3a6l h GLU 16 N 0.43 0.67 -0.44 1.82 4.81 -0.76 -1.68 114.58 119.42 3a6l h GLU 16 Ca 0.21 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3a6l h GLU 16 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3a6l h GLU 16 CO -0.17 0.44 0.14 0.00 -0.73 0.00 0.00 179.01 178.69 3a6l h ALA 17 N 1.27 1.41 -0.25 2.92 0.00 -0.56 -0.22 119.26 123.84 3a6l h ALA 17 Ca 0.25 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3a6l h ALA 17 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a6l h ALA 17 CO -0.12 0.43 -0.18 0.00 0.00 0.00 0.00 179.25 179.38 3a6l h ARG 18 N 0.64 0.56 0.00 0.00 2.47 -0.54 -3.03 114.38 114.47 3a6l h ARG 18 Ca 0.15 -0.27 -0.07 0.00 -1.26 0.00 0.00 59.98 58.53 3a6l h ARG 18 Cb 0.19 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3a6l h ARG 18 CO -0.01 0.85 -0.31 -0.39 0.56 0.00 0.00 179.97 180.67 3a6l h VAL 19 N 0.27 0.69 0.00 2.04 -1.51 -1.13 -2.89 116.25 113.72 3a6l h VAL 19 Ca 0.05 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 3a6l h VAL 19 Cb 0.72 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3a6l h VAL 19 CO 0.05 0.30 0.00 0.00 -1.23 0.00 0.00 177.57 176.69 3a6l h ALA 20 N 1.69 1.00 0.00 5.19 0.00 -0.91 -0.55 119.26 125.68 3a6l h ALA 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a6l h ALA 20 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3a6l h ALA 20 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3a6l h ALA 21 N 2.00 1.00 0.00 0.00 0.00 -1.53 -3.46 119.26 117.26 3a6l h ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a6l h ALA 21 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a6l h ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3a6l n GLY 22 N -0.55 0.99 0.78 0.00 0.00 -0.21 -4.80 105.19 101.39 3a6l n GLY 22 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3a6l n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a6l n ASP 23 N 0.00 0.22 -4.75 1.61 5.75 -1.26 -4.99 116.55 113.13 3a6l n ASP 23 Ca 0.00 -1.91 -0.41 0.00 -0.01 0.00 0.00 54.79 52.46 3a6l n ASP 23 Cb 0.00 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 3a6l n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a6l s VAL 25 N -0.15 5.05 0.07 0.00 1.01 -1.26 -4.26 120.40 120.86 3a6l s VAL 25 Ca 0.56 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.66 3a6l s VAL 25 Cb -0.39 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3a6l s VAL 25 CO 0.43 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 175.15 3a6l s LEU 26 N -0.27 2.80 -0.03 3.92 1.43 -0.45 -1.84 118.68 124.25 3a6l s LEU 26 Ca 0.09 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3a6l s LEU 26 Cb -0.12 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 3a6l s LEU 26 CO 0.01 0.22 -0.13 -0.04 0.23 0.00 0.00 176.35 176.64 3a6l s MET 27 N -1.81 1.29 -0.23 1.70 -1.94 0.05 -0.46 119.30 117.89 3a6l s MET 27 Ca 0.17 -0.47 -0.00 0.00 -1.71 0.00 0.00 55.69 53.68 3a6l s MET 27 Cb -0.11 -1.18 0.07 0.00 2.01 0.00 0.00 34.83 35.62 3a6l s MET 27 CO 0.09 0.22 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.15 3a6l s LEU 28 N -0.05 2.20 0.19 -0.03 2.96 0.02 0.69 118.68 124.67 3a6l s LEU 28 Ca -0.00 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 3a6l s LEU 28 Cb -0.08 -0.98 -0.08 0.00 0.50 0.00 0.00 46.19 45.54 3a6l s LEU 28 CO 0.01 -0.28 0.98 -2.16 -1.32 0.00 0.00 176.35 173.57 3a6l s PRO 29 N 1.54 4.76 -0.24 0.98 0.04 -1.26 -1.70 135.00 139.12 3a6l s PRO 29 Ca -0.02 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.56 3a6l s PRO 29 Cb -0.18 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.11 3a6l s PRO 29 CO -0.09 0.35 -0.10 0.08 0.04 0.00 0.00 177.00 177.28 3a6l s VAL 30 N -0.68 1.88 0.00 -0.36 1.01 -0.36 -1.20 120.40 120.69 3a6l s VAL 30 Ca 0.44 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3a6l s VAL 30 Cb -0.26 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3a6l s VAL 30 CO 0.32 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3a6l n GLY 31 N 4.56 2.55 3.63 4.51 0.00 -0.19 -1.24 105.19 119.00 3a6l n GLY 31 Ca -0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 3a6l n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6l s ALA 32 N -2.21 -2.29 -0.38 4.61 0.00 -1.20 -3.17 121.76 117.12 3a6l s ALA 32 Ca 0.00 1.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 3a6l s ALA 32 Cb 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.93 3a6l s ALA 32 CO 0.00 -0.66 0.16 -1.17 0.00 0.00 0.00 175.76 174.08 3a6l s LEU 33 N -2.24 4.85 -0.02 0.00 2.96 -1.16 -4.11 118.68 118.96 3a6l s LEU 33 Ca 0.13 -1.72 -0.03 0.00 -0.22 0.00 0.00 54.13 52.28 3a6l s LEU 33 Cb 0.01 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3a6l s LEU 33 CO -0.03 -0.46 0.09 -0.70 -1.32 0.00 0.00 176.35 173.93 3a6l s GLU 34 N 1.22 0.18 0.31 1.98 2.12 -0.15 -1.36 118.70 123.01 3a6l s GLU 34 Ca 0.04 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 3a6l s GLU 34 Cb -0.22 0.08 -0.13 0.00 0.26 0.00 0.00 34.13 34.13 3a6l s GLU 34 CO -0.02 -0.03 1.33 0.00 -0.54 0.00 0.00 175.26 176.00 3a6l n GLN 35 N 2.67 2.11 -2.73 4.30 -0.00 -1.26 -4.36 117.38 118.10 3a6l n GLN 35 Ca -0.15 0.74 -0.17 0.00 -0.00 0.00 0.00 57.00 57.43 3a6l n GLN 35 Cb 0.58 -2.35 0.01 0.00 -0.00 0.00 0.00 30.24 28.48 3a6l n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3a6l n HIS 36 N 0.85 1.84 -4.19 2.61 8.25 -1.26 -4.99 115.22 118.32 3a6l n HIS 36 Ca 0.07 -3.16 0.00 0.00 -0.26 0.00 0.00 57.72 54.36 3a6l n HIS 36 Cb 0.35 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3a6l n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6l n GLY 37 N -0.13 -1.74 0.07 -1.41 0.00 -1.25 -3.51 105.19 97.22 3a6l n GLY 37 Ca 0.21 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 45.03 3a6l n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a6l n HIS 38 N -0.32 0.65 0.84 1.61 8.25 -1.26 -4.25 115.22 120.74 3a6l n HIS 38 Ca 0.00 0.19 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 3a6l n HIS 38 Cb 0.00 -0.73 -0.04 0.00 1.12 0.00 0.00 29.99 30.34 3a6l n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3a6l n HIS 39 N -2.14 0.00 -4.16 4.41 1.44 -1.26 -4.83 115.22 108.68 3a6l n HIS 39 Ca 0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.63 3a6l n HIS 39 Cb 0.44 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.44 3a6l n HIS 39 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a6l s MET 40 N -2.34 0.79 1.03 -1.40 1.00 -1.23 -1.49 119.30 115.66 3a6l s MET 40 Ca 0.12 -1.19 -0.14 0.00 0.00 0.00 0.00 55.69 54.49 3a6l s MET 40 Cb 0.15 -0.33 0.20 0.00 0.00 0.00 0.00 34.83 34.85 3a6l s MET 40 CO 0.57 0.02 1.11 0.00 0.00 0.00 0.00 175.02 176.72 3a6l n MET 42 N -4.22 1.74 -0.58 0.00 0.00 -1.26 -4.08 117.12 108.73 3a6l n MET 42 Ca 0.07 -1.14 0.09 0.00 0.00 0.00 0.00 57.70 56.71 3a6l n MET 42 Cb 0.58 -1.48 0.33 0.00 0.00 0.00 0.00 33.22 32.66 3a6l n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3a6l n ASN 43 N 0.37 4.57 -0.23 7.83 0.23 -1.26 -0.97 115.26 125.79 3a6l n ASN 43 Ca 0.17 -2.52 0.01 0.00 -0.53 0.00 0.00 54.58 51.71 3a6l n ASN 43 Cb 0.41 -0.55 0.09 0.00 -2.08 0.00 0.00 39.78 37.65 3a6l n ASN 43 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3a6l h VAL 44 N 3.57 0.34 0.00 3.53 2.07 -1.82 -0.13 116.25 123.81 3a6l h VAL 44 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3a6l h VAL 44 Cb 1.43 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3a6l h VAL 44 CO 0.23 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.27 3a6l h ASP 45 N 0.03 0.00 0.00 0.57 3.32 -1.82 -1.45 116.42 117.07 3a6l h ASP 45 Ca 0.34 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.96 3a6l h ASP 45 Cb 0.54 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 3a6l h ASP 45 CO -0.68 0.00 -2.45 0.52 -1.72 0.00 0.00 179.24 174.91 3a6l n VAL 46 N -2.31 1.52 -0.17 -1.35 0.31 -0.20 -4.09 118.33 112.04 3a6l n VAL 46 Ca -0.01 -0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 63.85 3a6l n VAL 46 Cb 0.06 -1.72 0.07 0.00 -0.91 0.00 0.00 33.84 31.34 3a6l n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3a6l h LEU 47 N -0.62 0.17 0.14 7.52 3.38 -0.75 -2.11 115.31 123.06 3a6l h LEU 47 Ca -0.64 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 3a6l h LEU 47 Cb 1.72 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3a6l h LEU 47 CO -0.28 0.12 -0.07 -0.07 0.09 0.00 0.00 178.44 178.23 3a6l h LEU 48 N 0.35 -0.16 -1.68 1.67 3.38 -1.53 -1.17 115.31 116.17 3a6l h LEU 48 Ca 0.25 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3a6l h LEU 48 Cb 0.27 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3a6l h LEU 48 CO -0.26 0.23 -0.19 1.55 0.09 0.00 0.00 178.44 179.87 3a6l h PRO 49 N -0.59 0.00 -0.22 1.13 0.13 -1.75 -1.13 132.00 129.57 3a6l h PRO 49 Ca -0.02 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.91 3a6l h PRO 49 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3a6l h PRO 49 CO 0.03 0.19 -0.64 1.15 -0.23 0.00 0.00 178.00 178.50 3a6l h THR 50 N 0.00 1.28 -0.64 1.56 2.02 -1.33 -0.52 112.91 115.28 3a6l h THR 50 Ca -0.00 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.25 3a6l h THR 50 Cb 0.42 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3a6l h THR 50 CO 0.02 0.59 0.06 0.00 0.37 0.00 0.00 175.52 176.57 3a6l h ALA 51 N 0.67 0.89 -0.10 6.16 0.00 -0.59 -0.05 119.26 126.25 3a6l h ALA 51 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3a6l h ALA 51 Cb 1.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a6l h ALA 51 CO 0.14 0.67 -0.02 0.28 0.00 0.00 0.00 179.25 180.31 3a6l h VAL 52 N 1.01 1.29 -0.45 0.00 2.07 -1.15 -2.15 116.25 116.87 3a6l h VAL 52 Ca 0.19 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3a6l h VAL 52 Cb 0.49 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3a6l h VAL 52 CO 0.02 0.27 0.21 0.00 0.02 0.00 0.00 177.57 178.08 3a6l h LYS 54 N 0.42 -0.65 -0.67 0.00 3.64 -0.93 0.49 116.57 118.86 3a6l h LYS 54 Ca 0.20 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3a6l h LYS 54 Cb 0.13 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3a6l h LYS 54 CO -0.16 -0.44 0.32 0.00 -2.27 0.00 0.00 179.45 176.91 3a6l h ARG 55 N -0.68 0.96 -0.20 1.90 3.08 -1.12 -0.93 114.38 117.39 3a6l h ARG 55 Ca 0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3a6l h ARG 55 Cb 0.71 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3a6l h ARG 55 CO -0.30 0.76 0.07 0.28 -1.07 0.00 0.00 179.97 179.72 3a6l h VAL 56 N 0.93 1.17 -0.59 2.04 2.07 -0.56 -1.45 116.25 119.87 3a6l h VAL 56 Ca 0.23 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3a6l h VAL 56 Cb 0.12 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3a6l h VAL 56 CO -0.03 0.17 0.34 0.00 0.02 0.00 0.00 177.57 178.07 3a6l h ALA 57 N 0.91 0.76 -0.71 1.67 0.00 0.21 -0.40 119.26 121.70 3a6l h ALA 57 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a6l h ALA 57 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3a6l h ALA 57 CO -0.00 0.04 0.25 0.93 0.00 0.00 0.00 179.25 180.47 3a6l h GLU 58 N 0.66 1.09 -0.37 0.00 5.08 -1.07 0.39 114.58 120.36 3a6l h GLU 58 Ca 0.25 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3a6l h GLU 58 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3a6l h GLU 58 CO -0.13 0.92 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.50 3a6l h ARG 59 N 1.04 0.71 -0.07 2.33 2.43 -0.57 -3.27 114.38 116.98 3a6l h ARG 59 Ca 0.23 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a6l h ARG 59 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3a6l h ARG 59 CO -0.01 0.87 0.00 0.44 -1.51 0.00 0.00 179.97 179.75 3a6l n ILE 60 N -4.12 0.12 -2.08 1.20 -5.35 -0.22 -5.01 119.36 103.89 3a6l n ILE 60 Ca 0.00 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3a6l n ILE 60 Cb 0.42 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3a6l n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a6l n GLY 61 N 0.88 0.61 3.99 3.28 0.00 0.12 -5.05 105.19 109.02 3a6l n GLY 61 Ca 0.10 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 3a6l n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6l s ALA 62 N -2.32 4.61 0.14 4.61 0.00 -0.02 -4.71 121.76 124.07 3a6l s ALA 62 Ca 0.00 -1.82 0.10 0.00 0.00 0.00 0.00 51.96 50.24 3a6l s ALA 62 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3a6l s ALA 62 CO 0.00 -0.71 -0.24 -0.51 0.00 0.00 0.00 175.76 174.30 3a6l s LEU 63 N -4.53 2.35 -0.15 0.00 1.43 -0.77 -4.54 118.68 112.48 3a6l s LEU 63 Ca 0.52 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3a6l s LEU 63 Cb -0.04 -1.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 3a6l s LEU 63 CO 0.32 0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 176.19 3a6l s VAL 64 N -1.32 2.74 0.60 -1.59 1.01 0.20 -0.77 120.40 121.27 3a6l s VAL 64 Ca 0.14 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3a6l s VAL 64 Cb -0.09 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3a6l s VAL 64 CO 0.07 0.52 1.01 -0.04 0.00 0.00 0.00 175.10 176.66 3a6l s MET 65 N 0.69 3.65 0.32 2.72 1.00 0.22 -0.63 119.30 127.26 3a6l s MET 65 Ca -0.07 0.76 -0.29 0.00 0.00 0.00 0.00 55.69 56.08 3a6l s MET 65 Cb -0.16 -2.10 -0.12 0.00 0.00 0.00 0.00 34.83 32.46 3a6l s MET 65 CO 0.02 -0.51 1.55 -2.30 0.00 0.00 0.00 175.02 173.78 3a6l n PRO 66 N -2.56 2.67 -1.86 2.03 -0.02 -1.26 -4.48 135.00 129.52 3a6l n PRO 66 Ca 0.06 0.95 -0.31 0.00 -2.02 0.00 0.00 63.50 62.17 3a6l n PRO 66 Cb 0.54 -2.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.33 3a6l n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a6l s GLY 67 N 0.29 1.80 -0.33 -1.23 0.00 -1.26 -4.72 107.32 101.88 3a6l s GLY 67 Ca 0.61 0.10 -0.24 0.00 0.00 0.00 0.00 44.72 45.18 3a6l s GLY 67 CO 0.53 0.39 0.85 1.08 0.00 0.00 0.00 173.10 175.95 3a6l s LEU 68 N -5.05 4.06 0.22 0.66 1.43 -0.34 -4.92 118.68 114.74 3a6l s LEU 68 Ca 0.58 0.66 0.11 0.00 -1.03 0.00 0.00 54.13 54.45 3a6l s LEU 68 Cb -0.13 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.02 3a6l s LEU 68 CO 0.48 -0.70 1.45 1.56 0.23 0.00 0.00 176.35 179.37 3a6l h GLN 69 N 8.22 0.00 -5.53 1.70 1.08 -1.89 -0.48 115.11 118.21 3a6l h GLN 69 Ca -0.24 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.31 3a6l h GLN 69 Cb 1.09 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.28 3a6l h GLN 69 CO 0.92 0.74 -0.73 0.71 -0.95 0.00 0.00 178.83 179.52 3a6l s TYR 70 N -3.08 2.87 0.00 2.96 1.51 -1.26 -2.97 117.35 117.37 3a6l s TYR 70 Ca 0.01 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3a6l s TYR 70 Cb 0.10 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 3a6l s TYR 70 CO 0.78 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 175.57 3a6l n GLY 71 N 3.23 4.92 3.76 0.71 0.00 -1.19 -4.78 105.19 111.84 3a6l n GLY 71 Ca -0.18 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 3a6l n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a6l s TYR 72 N -0.66 2.57 0.21 1.61 5.04 -1.26 -1.05 117.35 123.82 3a6l s TYR 72 Ca 0.00 1.34 -0.32 0.00 -2.44 0.00 0.00 57.07 55.65 3a6l s TYR 72 Cb 0.00 -3.09 -0.15 0.00 0.35 0.00 0.00 41.96 39.07 3a6l s TYR 72 CO 0.00 -1.98 1.23 1.63 -1.34 0.00 0.00 175.55 175.10 3a6l n LYS 73 N -3.61 1.49 -2.14 4.97 5.02 -1.24 -4.73 118.16 117.92 3a6l n LYS 73 Ca 0.08 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.47 3a6l n LYS 73 Cb 0.55 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 3a6l n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a6l s SER 74 N 0.05 6.79 0.14 4.39 0.15 -1.26 -4.83 113.70 119.12 3a6l s SER 74 Ca 0.70 2.27 -0.13 0.00 0.70 0.00 0.00 55.95 59.49 3a6l s SER 74 Cb -0.77 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 60.91 3a6l s SER 74 CO 0.52 -0.73 0.51 -1.10 1.20 0.00 0.00 173.24 173.64 3a6l s GLN 75 N 1.98 3.90 0.10 5.44 -1.52 -1.26 -1.93 119.66 126.37 3a6l s GLN 75 Ca 0.66 0.38 -0.31 0.00 -1.95 0.00 0.00 55.36 54.15 3a6l s GLN 75 Cb -0.35 -2.92 -0.12 0.00 -0.22 0.00 0.00 33.01 29.40 3a6l s GLN 75 CO 0.29 0.48 1.61 0.37 -0.25 0.00 0.00 175.29 177.79 3a6l h GLN 76 N 3.50 -0.67 0.00 2.91 4.15 -1.91 0.86 115.11 123.95 3a6l h GLN 76 Ca -0.49 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3a6l h GLN 76 Cb 1.19 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.03 3a6l h GLN 76 CO 0.66 -0.45 0.00 1.63 -1.93 0.00 0.00 178.83 178.74 3a6l n LYS 77 N -5.46 0.83 0.00 1.69 5.02 -1.26 -1.59 118.16 117.39 3a6l n LYS 77 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3a6l n LYS 77 Cb 0.36 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3a6l n LYS 77 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a6l n SER 78 N -0.67 3.52 -0.64 4.39 2.88 -0.89 -4.37 113.62 117.85 3a6l n SER 78 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3a6l n SER 78 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 3a6l n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a6l n GLY 79 N 3.30 0.60 0.09 0.46 0.00 0.29 -4.56 105.19 105.38 3a6l n GLY 79 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3a6l n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6l n GLY 80 N 0.06 3.01 0.00 -0.02 0.00 -0.62 -4.83 105.19 102.79 3a6l n GLY 80 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3a6l n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6l n GLY 81 N 0.00 3.87 0.79 -0.02 0.00 -1.17 -4.43 105.19 104.23 3a6l n GLY 81 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3a6l n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a6l n ASN 82 N 0.00 1.94 -0.05 1.61 5.15 -0.81 -3.51 115.26 119.58 3a6l n ASN 82 Ca 0.00 -2.16 0.11 0.00 -0.60 0.00 0.00 54.58 51.93 3a6l n ASN 82 Cb 0.00 -0.53 0.02 0.00 -0.53 0.00 0.00 39.78 38.74 3a6l n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a6l n HIS 83 N 0.12 0.00 -2.47 1.20 1.44 -1.26 -4.96 115.22 109.29 3a6l n HIS 83 Ca 0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.41 3a6l n HIS 83 Cb 0.44 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.44 3a6l n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3a6l s PHE 84 N -2.94 2.96 0.51 -1.40 0.40 -1.23 -5.03 117.98 111.25 3a6l s PHE 84 Ca 0.10 1.58 -0.19 0.00 -0.60 0.00 0.00 56.93 57.82 3a6l s PHE 84 Cb 0.17 -3.14 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 3a6l s PHE 84 CO 0.78 -1.00 1.04 -2.14 0.70 0.00 0.00 175.22 174.61 3a6l s PRO 85 N -3.12 3.71 0.00 0.24 0.02 -1.26 -3.77 135.00 130.82 3a6l s PRO 85 Ca 0.67 1.32 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3a6l s PRO 85 Cb -0.19 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.24 3a6l s PRO 85 CO 0.23 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3a6l n GLY 86 N -0.43 2.53 3.68 0.52 0.00 -1.26 -4.71 105.19 105.53 3a6l n GLY 86 Ca 0.09 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 3a6l n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a6l n THR 87 N 0.00 0.33 -3.88 2.61 -1.04 -1.25 -4.70 114.28 106.36 3a6l n THR 87 Ca 0.00 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 3a6l n THR 87 Cb 0.00 -1.98 -0.15 0.00 -1.82 0.00 0.00 70.33 66.38 3a6l n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3a6l s THR 88 N 2.62 1.50 0.14 12.58 2.01 -0.46 -4.97 115.64 129.07 3a6l s THR 88 Ca 0.83 -1.68 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3a6l s THR 88 Cb -0.55 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3a6l s THR 88 CO 0.40 -0.51 0.05 -0.44 -0.69 0.00 0.00 174.62 173.42 3a6l s SER 89 N 1.32 5.14 0.25 3.53 0.01 -1.26 -4.43 113.70 118.26 3a6l s SER 89 Ca 0.07 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3a6l s SER 89 Cb -0.18 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 3a6l s SER 89 CO -0.15 0.11 0.40 -0.76 0.41 0.00 0.00 173.24 173.25 3a6l s LEU 90 N -2.80 4.24 0.68 2.44 1.43 -0.21 -4.88 118.68 119.57 3a6l s LEU 90 Ca 0.28 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 3a6l s LEU 90 Cb -0.10 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3a6l s LEU 90 CO 0.20 -0.10 1.07 -1.81 0.23 0.00 0.00 176.35 175.94 3a6l s ASP 91 N -3.79 5.32 0.22 2.29 1.01 -1.26 -3.68 116.67 116.79 3a6l s ASP 91 Ca 0.36 1.73 -0.07 0.00 0.71 0.00 0.00 52.55 55.27 3a6l s ASP 91 Cb -0.10 -2.51 0.29 0.00 1.01 0.00 0.00 42.92 41.61 3a6l s ASP 91 CO 0.31 -1.48 1.82 1.23 0.21 0.00 0.00 175.17 177.26 3a6l h GLY 92 N -0.44 1.11 1.73 0.21 0.00 -1.98 -2.22 103.07 101.48 3a6l h GLY 92 Ca -0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 3a6l h GLY 92 CO 0.56 0.19 0.03 0.00 0.00 0.00 0.00 176.54 177.32 3a6l h ALA 93 N 1.38 1.62 -0.06 3.60 0.00 -1.98 -1.37 119.26 122.45 3a6l h ALA 93 Ca 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3a6l h ALA 93 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a6l h ALA 93 CO -0.19 0.29 -0.02 1.15 0.00 0.00 0.00 179.25 180.48 3a6l h THR 94 N 0.34 1.32 -0.60 0.00 2.02 -1.78 0.12 112.91 114.33 3a6l h THR 94 Ca 0.08 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.18 3a6l h THR 94 Cb 0.18 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3a6l h THR 94 CO -0.00 0.27 0.05 0.25 0.37 0.00 0.00 175.52 176.47 3a6l h LEU 95 N -0.26 0.97 -0.04 2.58 5.85 -1.37 -2.01 115.31 121.03 3a6l h LEU 95 Ca 0.01 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3a6l h LEU 95 Cb 0.45 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3a6l h LEU 95 CO 0.01 0.99 0.02 0.74 -0.34 0.00 0.00 178.44 179.86 3a6l h THR 96 N 0.94 1.09 -0.04 1.05 2.02 -1.21 -2.25 112.91 114.50 3a6l h THR 96 Ca 0.18 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3a6l h THR 96 Cb 0.47 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3a6l h THR 96 CO 0.02 0.07 -0.05 1.23 0.37 0.00 0.00 175.52 177.15 3a6l h GLY 97 N -0.03 0.07 0.76 2.16 0.00 -0.82 -0.82 103.07 104.38 3a6l h GLY 97 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3a6l h GLY 97 CO -0.00 0.03 -0.20 -0.84 0.00 0.00 0.00 176.54 175.53 3a6l h THR 98 N 0.06 1.36 -0.33 4.70 2.02 -1.08 -0.62 112.91 119.02 3a6l h THR 98 Ca 0.01 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 3a6l h THR 98 Cb 0.14 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3a6l h THR 98 CO 0.01 0.42 0.17 0.58 0.37 0.00 0.00 175.52 177.07 3a6l h VAL 99 N 0.01 1.14 -0.55 3.16 2.07 -1.09 -1.99 116.25 119.00 3a6l h VAL 99 Ca 0.02 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3a6l h VAL 99 Cb 0.76 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3a6l h VAL 99 CO 0.05 0.15 0.33 -0.61 0.02 0.00 0.00 177.57 177.50 3a6l h GLN 100 N 0.40 0.62 -0.58 1.57 4.15 -1.11 -1.94 115.11 118.22 3a6l h GLN 100 Ca 0.11 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 3a6l h GLN 100 Cb 0.08 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 3a6l h GLN 100 CO -0.02 0.41 0.13 -0.44 -1.93 0.00 0.00 178.83 176.98 3a6l h ASP 101 N 0.64 0.90 -0.66 -0.69 3.32 -0.93 -2.18 116.42 116.81 3a6l h ASP 101 Ca 0.23 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3a6l h ASP 101 Cb 0.04 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3a6l h ASP 101 CO -0.11 0.91 0.24 0.40 -1.72 0.00 0.00 179.24 178.96 3a6l h ILE 102 N 0.85 1.25 -0.62 0.35 2.04 -1.09 -1.36 117.51 118.93 3a6l h ILE 102 Ca 0.18 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 3a6l h ILE 102 Cb 0.37 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3a6l h ILE 102 CO 0.00 0.31 0.07 0.40 0.00 0.00 0.00 178.15 178.94 3a6l h ILE 103 N 0.95 1.26 -0.65 -0.67 2.04 -1.26 -0.45 117.51 118.73 3a6l h ILE 103 Ca 0.22 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3a6l h ILE 103 Cb 0.25 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3a6l h ILE 103 CO -0.01 0.39 0.42 -0.09 0.00 0.00 0.00 178.15 178.85 3a6l h ARG 104 N 0.95 0.81 -0.24 2.37 2.43 -1.06 -0.93 114.38 118.70 3a6l h ARG 104 Ca 0.18 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3a6l h ARG 104 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3a6l h ARG 104 CO 0.02 0.54 -0.01 0.93 -1.51 0.00 0.00 179.97 179.94 3a6l h GLU 105 N 0.84 0.44 -1.00 0.20 4.39 -0.87 -2.06 114.58 116.51 3a6l h GLU 105 Ca 0.25 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.85 3a6l h GLU 105 Cb -0.05 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 3a6l h GLU 105 CO -0.08 0.62 0.66 -0.07 -1.16 0.00 0.00 179.01 178.98 3a6l h LEU 106 N 0.21 1.09 -1.28 1.33 3.38 -0.83 0.14 115.31 119.35 3a6l h LEU 106 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3a6l h LEU 106 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3a6l h LEU 106 CO 0.01 0.74 -0.05 0.00 0.09 0.00 0.00 178.44 179.24 3a6l h ALA 107 N 1.42 1.41 -0.21 1.53 0.00 -0.99 -1.50 119.26 120.91 3a6l h ALA 107 Ca 0.40 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3a6l h ALA 107 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a6l h ALA 107 CO -0.13 0.41 -0.22 -0.09 0.00 0.00 0.00 179.25 179.22 3a6l h ARG 108 N 0.41 0.38 0.00 0.00 2.43 -0.27 -2.55 114.38 114.78 3a6l h ARG 108 Ca 0.09 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a6l h ARG 108 Cb 0.35 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3a6l h ARG 108 CO 0.01 0.59 -0.01 0.45 -1.51 0.00 0.00 179.97 179.50 3a6l h HIS 109 N 0.34 0.00 0.00 2.20 3.86 -0.45 -3.46 115.15 117.65 3a6l h HIS 109 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3a6l h HIS 109 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3a6l h HIS 109 CO 0.01 0.01 0.00 0.41 0.86 0.00 0.00 177.93 179.22 3a6l n GLY 110 N 0.08 0.64 3.75 2.45 0.00 -0.96 -4.98 105.19 106.16 3a6l n GLY 110 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3a6l n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6l s ALA 111 N -2.00 2.56 0.00 4.61 0.00 -0.74 -4.93 121.76 121.25 3a6l s ALA 111 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3a6l s ALA 111 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3a6l s ALA 111 CO 0.00 -1.34 0.28 0.54 0.00 0.00 0.00 175.76 175.24 3a6l n ARG 112 N -1.54 0.00 -3.74 0.00 5.12 -1.26 -4.18 116.66 111.06 3a6l n ARG 112 Ca 0.14 -0.28 -0.24 0.00 -1.93 0.00 0.00 57.85 55.53 3a6l n ARG 112 Cb 0.48 -0.45 -0.17 0.00 -1.16 0.00 0.00 32.46 31.15 3a6l n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3a6l s ARG 113 N 0.00 0.48 0.01 5.56 0.52 -1.26 -0.78 118.95 123.49 3a6l s ARG 113 Ca 0.00 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 3a6l s ARG 113 Cb 0.00 -1.25 -0.01 0.00 0.52 0.00 0.00 34.95 34.21 3a6l s ARG 113 CO 0.00 -0.42 -0.10 -1.17 0.02 0.00 0.00 175.30 173.64 3a6l s LEU 114 N 1.99 2.10 -0.12 2.53 2.96 -0.75 -1.33 118.68 126.06 3a6l s LEU 114 Ca 0.03 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3a6l s LEU 114 Cb -0.14 -0.42 0.01 0.00 0.50 0.00 0.00 46.19 46.15 3a6l s LEU 114 CO -0.06 0.02 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.10 3a6l s VAL 115 N -0.59 1.87 -0.27 1.68 1.01 0.39 -0.77 120.40 123.72 3a6l s VAL 115 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3a6l s VAL 115 Cb -0.06 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3a6l s VAL 115 CO 0.00 0.51 0.06 -0.76 0.00 0.00 0.00 175.10 174.92 3a6l s LEU 116 N 0.77 3.56 -0.36 3.92 1.43 0.73 -0.80 118.68 127.94 3a6l s LEU 116 Ca -0.09 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 3a6l s LEU 116 Cb -0.16 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.22 3a6l s LEU 116 CO 0.00 -0.10 0.14 -0.32 0.23 0.00 0.00 176.35 176.30 3a6l s MET 117 N 1.56 2.58 0.15 1.70 1.75 -0.69 -1.07 119.30 125.27 3a6l s MET 117 Ca 0.05 -1.26 -0.23 0.00 -1.25 0.00 0.00 55.69 52.99 3a6l s MET 117 Cb -0.16 -3.52 -0.08 0.00 2.84 0.00 0.00 34.83 33.92 3a6l s MET 117 CO 0.02 -0.74 0.72 1.21 -0.65 0.00 0.00 175.02 175.59 3a6l s ASN 118 N 1.55 7.28 0.00 1.11 2.47 0.92 -1.22 114.94 127.05 3a6l s ASN 118 Ca -0.00 1.53 0.00 0.00 0.42 0.00 0.00 52.86 54.81 3a6l s ASN 118 Cb -0.20 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 3a6l s ASN 118 CO 0.02 0.21 0.64 0.61 -3.72 0.00 0.00 177.10 174.86 3a6l n GLY 119 N 1.55 0.23 2.94 1.21 0.00 -0.38 -3.42 105.19 107.32 3a6l n GLY 119 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3a6l n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a6l s HIS 120 N -0.36 2.01 0.17 1.61 5.65 -1.26 -4.63 115.29 118.49 3a6l s HIS 120 Ca 0.00 -1.31 -0.13 0.00 0.25 0.00 0.00 55.06 53.88 3a6l s HIS 120 Cb 0.00 -1.46 0.18 0.00 -1.18 0.00 0.00 32.58 30.12 3a6l s HIS 120 CO 0.00 -0.67 1.14 0.98 -0.65 0.00 0.00 174.74 175.53 3a6l n TYR 121 N 4.79 0.02 1.26 3.88 9.36 -1.26 -1.31 117.16 133.91 3a6l n TYR 121 Ca -0.13 0.90 0.13 0.00 3.32 0.00 0.00 57.90 62.12 3a6l n TYR 121 Cb 0.47 -0.78 0.66 0.00 -0.63 0.00 0.00 39.34 39.06 3a6l n TYR 121 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3a6l n GLN 122 N -5.08 0.43 -0.10 2.98 3.00 -1.26 -4.04 117.38 113.31 3a6l n GLN 122 Ca 0.08 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 57.01 3a6l n GLN 122 Cb 0.29 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.08 3a6l n GLN 122 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 3a6l h ASN 123 N 0.00 0.86 -0.23 1.08 2.35 -1.53 -3.40 115.58 114.71 3a6l h ASN 123 Ca 0.00 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3a6l h ASN 123 Cb 0.20 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3a6l h ASN 123 CO 0.00 1.08 -0.13 -1.20 -1.65 0.00 0.00 177.43 175.53 3a6l n SER 124 N -4.09 -0.24 -0.06 5.81 7.64 -1.26 -1.62 113.62 119.81 3a6l n SER 124 Ca -0.00 0.64 0.01 0.00 1.01 0.00 0.00 58.87 60.52 3a6l n SER 124 Cb 0.47 -0.17 0.31 0.00 -1.01 0.00 0.00 64.21 63.81 3a6l n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3a6l h MET 125 N 0.00 0.66 0.00 1.43 2.86 -1.92 0.93 114.93 118.90 3a6l h MET 125 Ca 0.04 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 3a6l h MET 125 Cb 0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3a6l h MET 125 CO -0.21 0.54 -0.67 0.74 1.06 0.00 0.00 176.91 178.37 3a6l h PHE 126 N 0.66 0.00 -0.32 -0.22 -1.00 -1.57 -0.08 116.94 114.41 3a6l h PHE 126 Ca 0.16 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.84 3a6l h PHE 126 Cb 0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 3a6l h PHE 126 CO 0.01 0.67 -0.18 0.82 -1.61 0.00 0.00 178.31 178.01 3a6l h ILE 127 N 0.00 1.29 -0.54 -0.55 2.04 -0.42 -1.93 117.51 117.40 3a6l h ILE 127 Ca -0.01 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3a6l h ILE 127 Cb 1.19 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3a6l h ILE 127 CO 0.09 0.42 0.36 0.58 0.00 0.00 0.00 178.15 179.59 3a6l h VAL 128 N 0.45 1.14 -0.68 1.67 2.07 -0.53 -0.81 116.25 119.56 3a6l h VAL 128 Ca 0.07 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3a6l h VAL 128 Cb 0.72 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3a6l h VAL 128 CO 0.05 0.14 0.20 -0.08 0.02 0.00 0.00 177.57 177.90 3a6l h GLU 129 N 0.74 1.05 -0.63 1.57 4.57 -0.94 -0.43 114.58 120.50 3a6l h GLU 129 Ca 0.20 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3a6l h GLU 129 Cb -0.08 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 3a6l h GLU 129 CO -0.04 0.91 0.36 0.78 -1.18 0.00 0.00 179.01 179.84 3a6l h GLY 130 N 1.07 0.94 0.95 1.92 0.00 -0.90 -1.30 103.07 105.76 3a6l h GLY 130 Ca 0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3a6l h GLY 130 CO -0.01 0.40 0.18 -2.22 0.00 0.00 0.00 176.54 174.89 3a6l h ILE 131 N 0.86 1.19 0.03 2.60 2.04 -0.60 -1.90 117.51 121.73 3a6l h ILE 131 Ca 0.22 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3a6l h ILE 131 Cb 0.02 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3a6l h ILE 131 CO -0.04 0.22 -0.01 -0.78 0.00 0.00 0.00 178.15 177.54 3a6l h ASP 132 N 0.55 -0.03 -0.09 1.72 3.58 -0.77 -0.61 116.42 120.77 3a6l h ASP 132 Ca 0.14 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3a6l h ASP 132 Cb 0.17 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3a6l h ASP 132 CO -0.01 0.04 0.00 -0.07 -2.88 0.00 0.00 179.24 176.32 3a6l h LEU 133 N -0.10 0.23 0.07 2.28 3.38 -1.24 -0.51 115.31 119.42 3a6l h LEU 133 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a6l h LEU 133 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a6l h LEU 133 CO 0.01 0.27 -0.03 0.00 0.09 0.00 0.00 178.44 178.78 3a6l h ALA 134 N 1.76 -0.09 0.00 1.53 0.00 -1.01 -2.49 119.26 118.96 3a6l h ALA 134 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3a6l h ALA 134 Cb 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3a6l h ALA 134 CO 0.00 -0.33 -0.14 -0.07 0.00 0.00 0.00 179.25 178.71 3a6l h LEU 135 N -0.54 0.00 -0.20 0.00 3.38 -0.81 0.46 115.31 117.60 3a6l h LEU 135 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3a6l h LEU 135 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3a6l h LEU 135 CO 0.01 0.14 -0.00 -0.09 0.09 0.00 0.00 178.44 178.60 3a6l h ARG 136 N 0.00 0.35 -0.32 1.13 2.43 -1.04 -2.00 114.38 114.93 3a6l h ARG 136 Ca -0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3a6l h ARG 136 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3a6l h ARG 136 CO 0.02 0.55 0.15 0.93 -1.51 0.00 0.00 179.97 180.11 3a6l h GLU 137 N 0.10 0.45 -0.93 0.20 5.08 -0.86 -2.26 114.58 116.37 3a6l h GLU 137 Ca 0.06 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3a6l h GLU 137 Cb 0.39 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 3a6l h GLU 137 CO 0.01 0.42 0.60 -0.07 -1.00 0.00 0.00 179.01 178.97 3a6l h LEU 138 N 0.38 0.90 -0.75 1.33 3.38 -0.91 -0.32 115.31 119.32 3a6l h LEU 138 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3a6l h LEU 138 Cb 0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3a6l h LEU 138 CO -0.01 0.55 0.32 -0.09 0.09 0.00 0.00 178.44 179.29 3a6l h ARG 139 N 1.00 1.10 0.00 1.13 2.43 -0.92 0.43 114.38 119.55 3a6l h ARG 139 Ca 0.42 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3a6l h ARG 139 Cb 0.30 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3a6l h ARG 139 CO -0.18 0.89 -0.23 1.88 -1.51 0.00 0.00 179.97 180.82 3a6l h TYR 140 N 1.06 0.00 -0.09 2.20 0.05 -0.59 -0.93 116.97 118.67 3a6l h TYR 140 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3a6l h TYR 140 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3a6l h TYR 140 CO 0.02 0.23 0.00 0.00 -1.05 0.00 0.00 178.16 177.36 3a6l n ALA 141 N -2.38 2.56 -0.89 3.88 0.00 -0.28 -4.90 120.51 118.51 3a6l n ALA 141 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3a6l n ALA 141 Cb 0.32 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3a6l n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a6l n GLY 142 N 1.03 0.47 3.31 0.00 0.00 -0.35 -5.04 105.19 104.60 3a6l n GLY 142 Ca 0.16 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3a6l n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a6l s ILE 143 N -2.00 3.36 0.00 -0.61 1.01 0.14 -4.93 121.20 118.16 3a6l s ILE 143 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3a6l s ILE 143 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3a6l s ILE 143 CO 0.00 0.43 0.66 0.00 0.00 0.00 0.00 174.94 176.03 3a6l n GLN 144 N 4.78 1.15 -0.77 2.79 6.02 -1.26 -2.68 117.38 127.40 3a6l n GLN 144 Ca -0.18 -0.87 0.01 0.00 -0.01 0.00 0.00 57.00 55.95 3a6l n GLN 144 Cb 0.51 -0.75 0.28 0.00 1.02 0.00 0.00 30.24 31.30 3a6l n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3a6l n ASP 145 N -0.21 4.19 -4.65 1.08 5.75 -1.26 -4.92 116.55 116.53 3a6l n ASP 145 Ca 0.00 -3.22 -0.38 0.00 -0.01 0.00 0.00 54.79 51.18 3a6l n ASP 145 Cb 0.33 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.68 3a6l n ASP 145 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3a6l s PHE 146 N -2.97 3.32 -0.07 2.11 2.19 -1.26 -4.85 117.98 116.46 3a6l s PHE 146 Ca 0.49 0.41 0.02 0.00 0.33 0.00 0.00 56.93 58.18 3a6l s PHE 146 Cb 0.40 -2.43 -0.02 0.00 -1.31 0.00 0.00 43.02 39.66 3a6l s PHE 146 CO 0.10 -0.02 -0.13 0.21 1.83 0.00 0.00 175.22 177.21 3a6l s LYS 147 N 1.36 2.76 -0.02 10.12 2.20 0.04 -5.02 119.74 131.18 3a6l s LYS 147 Ca 0.13 -0.67 0.05 0.00 -0.36 0.00 0.00 55.97 55.12 3a6l s LYS 147 Cb -0.14 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 3a6l s LYS 147 CO 0.07 0.53 -0.17 0.08 -0.36 0.00 0.00 175.35 175.50 3a6l s VAL 148 N -0.47 1.34 -0.15 4.02 1.01 -1.26 -1.80 120.40 123.09 3a6l s VAL 148 Ca 0.06 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3a6l s VAL 148 Cb -0.12 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3a6l s VAL 148 CO 0.02 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 3a6l s VAL 149 N -0.35 1.96 -0.06 2.92 1.01 0.05 -4.99 120.40 120.93 3a6l s VAL 149 Ca 0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3a6l s VAL 149 Cb -0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3a6l s VAL 149 CO -0.00 0.53 -0.15 0.54 0.00 0.00 0.00 175.10 176.02 3a6l s VAL 150 N 1.02 3.00 0.09 2.92 0.11 -1.26 -0.19 120.40 126.09 3a6l s VAL 150 Ca -0.03 -0.74 -0.22 0.00 -2.93 0.00 0.00 61.98 58.06 3a6l s VAL 150 Cb -0.14 -2.18 0.06 0.00 -1.53 0.00 0.00 36.38 32.58 3a6l s VAL 150 CO -0.06 0.58 0.55 -1.48 -3.33 0.00 0.00 175.10 171.36 3a6l s LEU 151 N -0.54 -0.24 -0.21 2.54 0.05 -0.23 -4.95 118.68 115.09 3a6l s LEU 151 Ca 0.07 0.08 -0.04 0.00 0.05 0.00 0.00 54.13 54.29 3a6l s LEU 151 Cb -0.12 2.30 -0.01 0.00 -2.05 0.00 0.00 46.19 46.31 3a6l s LEU 151 CO 0.01 -0.83 -0.04 -0.44 -0.55 0.00 0.00 176.35 174.51 3a6l s SER 152 N -2.33 4.36 0.56 1.48 0.01 -1.26 -0.05 113.70 116.46 3a6l s SER 152 Ca -0.02 -0.36 0.27 0.00 1.31 0.00 0.00 55.95 57.15 3a6l s SER 152 Cb -0.00 -1.74 1.48 0.00 0.21 0.00 0.00 66.02 65.96 3a6l s SER 152 CO -0.07 0.00 1.99 0.10 0.41 0.00 0.00 173.24 175.67 3a6l h TYR 153 N 7.96 0.00 0.00 2.43 -0.00 -1.93 -1.71 116.97 123.72 3a6l h TYR 153 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.33 3a6l h TYR 153 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 3a6l h TYR 153 CO 0.58 0.00 0.00 0.11 -0.00 0.00 0.00 178.16 178.85 3a6l h TRP 154 N 0.00 0.00 0.00 0.10 0.09 -1.95 -2.94 115.95 111.25 3a6l h TRP 154 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 3a6l h TRP 154 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.20 3a6l h TRP 154 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.28 3a6l n ASP 155 N -2.78 0.00 -0.28 0.11 8.00 -0.64 -2.41 116.55 118.55 3a6l n ASP 155 Ca 0.01 0.21 0.13 0.00 0.71 0.00 0.00 54.79 55.84 3a6l n ASP 155 Cb 0.29 -0.36 0.30 0.00 -0.02 0.00 0.00 41.12 41.32 3a6l n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a6l n PHE 156 N -1.36 0.00 -3.08 1.24 3.01 -1.11 -4.44 117.46 111.72 3a6l n PHE 156 Ca 0.07 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.09 3a6l n PHE 156 Cb 0.16 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 3a6l n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3a6l n VAL 157 N -0.57 4.86 -0.13 -4.37 0.31 -1.01 -4.65 118.33 112.77 3a6l n VAL 157 Ca 0.11 -5.49 0.00 0.00 -0.01 0.00 0.00 64.34 58.95 3a6l n VAL 157 Cb 0.37 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 3a6l n VAL 157 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3a6l n LYS 158 N 2.44 2.24 -2.69 5.55 2.85 -1.26 -4.92 118.16 122.37 3a6l n LYS 158 Ca 0.27 -1.27 -0.43 0.00 -1.05 0.00 0.00 58.31 55.83 3a6l n LYS 158 Cb 0.37 -0.94 -0.02 0.00 -0.65 0.00 0.00 35.03 33.79 3a6l n LYS 158 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3a6l s ASP 159 N -0.78 7.08 0.43 -5.58 3.68 -1.26 -4.91 116.67 115.32 3a6l s ASP 159 Ca 0.00 1.35 0.20 0.00 2.13 0.00 0.00 52.55 56.23 3a6l s ASP 159 Cb 0.00 -2.53 1.15 0.00 -1.45 0.00 0.00 42.92 40.10 3a6l s ASP 159 CO 0.00 -0.63 1.82 -0.65 0.13 0.00 0.00 175.17 175.83 3a6l h PRO 160 N 7.45 0.33 -0.36 4.34 0.11 -1.98 0.22 132.00 142.11 3a6l h PRO 160 Ca -0.20 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.78 3a6l h PRO 160 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3a6l h PRO 160 CO 0.96 0.22 -0.21 0.00 -0.21 0.00 0.00 178.00 178.76 3a6l h ALA 161 N 1.59 0.97 0.12 -0.75 0.00 -1.99 -0.93 119.26 118.28 3a6l h ALA 161 Ca 0.53 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 3a6l h ALA 161 Cb 1.44 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 19.11 3a6l h ALA 161 CO -0.21 0.60 -1.04 0.28 0.00 0.00 0.00 179.25 178.88 3a6l h VAL 162 N 0.61 1.37 -0.76 0.00 2.07 -1.09 -2.91 116.25 115.54 3a6l h VAL 162 Ca 0.09 -2.44 0.03 0.00 0.82 0.00 0.00 66.70 65.20 3a6l h VAL 162 Cb 0.68 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 3a6l h VAL 162 CO 0.05 0.72 0.50 0.40 0.02 0.00 0.00 177.57 179.26 3a6l h ILE 163 N 0.01 1.12 -0.40 4.57 1.08 -0.86 -1.61 117.51 121.42 3a6l h ILE 163 Ca -0.17 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.95 3a6l h ILE 163 Cb 1.77 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 3a6l h ILE 163 CO 0.20 0.17 0.14 -0.61 -0.69 0.00 0.00 178.15 177.36 3a6l h GLN 164 N 0.94 0.62 0.00 2.37 4.15 -1.18 0.28 115.11 122.29 3a6l h GLN 164 Ca 0.30 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 3a6l h GLN 164 Cb 0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3a6l h GLN 164 CO -0.09 0.60 -0.22 0.37 -1.93 0.00 0.00 178.83 177.57 3a6l h GLN 165 N 0.51 0.00 0.13 1.69 4.15 -1.14 -2.92 115.11 117.53 3a6l h GLN 165 Ca 0.13 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.27 3a6l h GLN 165 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3a6l h GLN 165 CO -0.01 0.22 -1.42 -0.07 -1.93 0.00 0.00 178.83 175.62 3a6l h LEU 166 N 0.00 0.42 -6.88 -2.39 3.38 -0.89 -3.43 115.31 105.52 3a6l h LEU 166 Ca -0.00 -0.87 -0.61 0.00 0.09 0.00 0.00 57.88 56.49 3a6l h LEU 166 Cb 0.46 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.67 3a6l h LEU 166 CO 0.03 1.63 -0.74 -0.31 0.09 0.00 0.00 178.44 179.13 3a6l s TYR 167 N -2.49 2.27 0.20 1.13 1.51 0.96 -4.97 117.35 115.96 3a6l s TYR 167 Ca -0.19 -2.69 -0.11 0.00 -1.01 0.00 0.00 57.07 53.07 3a6l s TYR 167 Cb 0.04 -1.93 0.17 0.00 -0.11 0.00 0.00 41.96 40.14 3a6l s TYR 167 CO 0.78 -0.72 1.82 -1.35 -1.11 0.00 0.00 175.55 174.97 3a6l h PRO 168 N 6.07 0.70 0.00 -1.71 0.11 -1.75 -2.49 132.00 132.93 3a6l h PRO 168 Ca 0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3a6l h PRO 168 Cb 0.87 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3a6l h PRO 168 CO 0.53 0.46 -0.06 0.93 -0.21 0.00 0.00 178.00 179.65 3a6l h GLU 169 N 0.72 0.00 0.00 1.05 3.07 -1.93 -3.48 114.58 114.01 3a6l h GLU 169 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3a6l h GLU 169 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3a6l h GLU 169 CO -0.13 0.06 0.00 0.41 -1.40 0.00 0.00 179.01 177.96 3a6l n GLY 170 N -0.34 4.59 3.27 -3.84 0.00 -0.94 -5.10 105.19 102.83 3a6l n GLY 170 Ca -0.01 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 3a6l n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a6l s PHE 171 N -1.88 3.04 -0.06 1.61 5.36 -1.26 -4.88 117.98 119.92 3a6l s PHE 171 Ca 0.00 -1.22 -0.19 0.00 -0.96 0.00 0.00 56.93 54.56 3a6l s PHE 171 Cb 0.00 -2.12 -0.31 0.00 -0.34 0.00 0.00 43.02 40.26 3a6l s PHE 171 CO 0.00 -0.64 0.79 1.37 -1.46 0.00 0.00 175.22 175.28 3a6l h LEU 172 N 8.09 0.49 0.00 6.12 -0.00 -2.00 -3.50 115.31 124.51 3a6l h LEU 172 Ca -0.36 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.61 3a6l h LEU 172 Cb 1.13 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 3a6l h LEU 172 CO 0.59 1.52 0.00 0.61 -0.00 0.00 0.00 178.44 181.16 3a6l n GLY 173 N 1.70 -2.42 0.07 0.17 0.00 -1.26 -4.99 105.19 98.47 3a6l n GLY 173 Ca -0.18 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.50 3a6l n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a6l h TRP 174 N 0.00 0.00 -0.07 1.61 -0.00 -1.97 -3.30 115.95 112.21 3a6l h TRP 174 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 3a6l h TRP 174 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.16 3a6l h TRP 174 CO 0.00 1.00 0.01 0.38 -0.00 0.00 0.00 178.44 179.83 3a6l h ASP 175 N 0.00 0.12 0.00 -3.49 3.04 -1.90 -2.84 116.42 111.36 3a6l h ASP 175 Ca -0.18 -0.25 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 3a6l h ASP 175 Cb 1.91 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 40.17 3a6l h ASP 175 CO 0.10 0.34 0.00 0.00 -2.04 0.00 0.00 179.24 177.64 3a6l n ILE 176 N -4.89 0.00 -1.41 4.15 3.06 -1.26 -3.86 119.36 115.15 3a6l n ILE 176 Ca -0.06 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 59.90 3a6l n ILE 176 Cb 0.16 -0.57 0.00 0.00 0.54 0.00 0.00 39.64 39.77 3a6l n ILE 176 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3a6l n GLU 177 N -0.97 2.37 -3.24 9.51 -0.58 -1.07 -3.86 120.64 122.80 3a6l n GLU 177 Ca 0.18 -2.52 -0.42 0.00 -0.42 0.00 0.00 57.16 53.98 3a6l n GLU 177 Cb 0.08 -2.07 -0.08 0.00 -0.57 0.00 0.00 31.44 28.81 3a6l n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3a6l s HIS 178 N -2.48 3.16 -1.21 -0.32 5.65 -1.25 -4.06 115.29 114.78 3a6l s HIS 178 Ca 0.52 0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.85 3a6l s HIS 178 Cb 0.38 -2.99 0.00 0.00 -1.18 0.00 0.00 32.58 28.79 3a6l s HIS 178 CO -0.18 -0.63 0.00 0.41 -0.65 0.00 0.00 174.74 173.69 3a6l n GLY 179 N 4.91 0.54 0.00 1.59 0.00 -1.26 -2.96 105.19 108.00 3a6l n GLY 179 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3a6l n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6l n GLY 180 N -1.20 1.81 0.32 -0.02 0.00 -1.26 -4.48 105.19 100.37 3a6l n GLY 180 Ca -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 3a6l n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3a6l h VAL 181 N 0.00 1.22 0.52 1.61 2.07 -1.86 -1.71 116.25 118.09 3a6l h VAL 181 Ca 0.00 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3a6l h VAL 181 Cb 0.00 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.75 3a6l h VAL 181 CO 0.00 0.21 -0.25 0.15 0.02 0.00 0.00 177.57 177.70 3a6l h PHE 182 N 1.14 -0.65 -0.65 1.57 3.04 -1.94 -0.39 116.94 119.07 3a6l h PHE 182 Ca 0.31 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.21 3a6l h PHE 182 Cb -0.13 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 3a6l h PHE 182 CO -0.01 -0.40 0.28 0.93 -2.02 0.00 0.00 178.31 177.09 3a6l h GLU 183 N -0.74 0.95 -0.39 1.11 5.08 -1.85 -2.26 114.58 116.48 3a6l h GLU 183 Ca -0.07 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3a6l h GLU 183 Cb 0.54 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3a6l h GLU 183 CO 0.12 0.78 0.07 1.15 -1.00 0.00 0.00 179.01 180.14 3a6l h THR 184 N 0.90 1.19 -0.43 1.13 2.02 -1.36 -0.65 112.91 115.71 3a6l h THR 184 Ca 0.22 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 3a6l h THR 184 Cb 0.17 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3a6l h THR 184 CO -0.02 0.25 -0.04 0.28 0.37 0.00 0.00 175.52 176.35 3a6l h SER 185 N 0.57 0.79 -0.75 4.18 0.02 -0.73 -1.10 113.55 116.53 3a6l h SER 185 Ca 0.13 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 3a6l h SER 185 Cb 0.25 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3a6l h SER 185 CO -0.00 0.93 0.33 -0.07 -1.14 0.00 0.00 176.83 176.88 3a6l h LEU 186 N 0.63 1.01 -0.97 5.07 3.38 -0.97 -2.70 115.31 120.76 3a6l h LEU 186 Ca 0.12 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3a6l h LEU 186 Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3a6l h LEU 186 CO 0.03 0.88 -0.20 0.24 0.09 0.00 0.00 178.44 179.48 3a6l h MET 187 N 1.06 0.51 -0.12 1.13 2.86 -0.90 -0.34 114.93 119.14 3a6l h MET 187 Ca 0.25 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3a6l h MET 187 Cb 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3a6l h MET 187 CO -0.03 0.69 -0.29 -0.07 1.06 0.00 0.00 176.91 178.27 3a6l h LEU 188 N 0.46 0.22 0.00 1.22 3.38 -0.93 0.54 115.31 120.20 3a6l h LEU 188 Ca 0.07 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3a6l h LEU 188 Cb 0.61 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3a6l h LEU 188 CO 0.04 0.51 -0.97 0.00 0.09 0.00 0.00 178.44 178.12 3a6l h ALA 189 N 1.51 0.65 0.00 1.53 0.00 -1.18 -3.36 119.26 118.42 3a6l h ALA 189 Ca 0.03 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.12 3a6l h ALA 189 Cb 0.62 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3a6l h ALA 189 CO 0.05 0.54 -2.18 1.28 0.00 0.00 0.00 179.25 178.93 3a6l n LEU 190 N -2.94 1.60 -3.17 0.00 4.77 -0.17 -4.86 117.00 112.24 3a6l n LEU 190 Ca -0.03 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 3a6l n LEU 190 Cb 0.72 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3a6l n LEU 190 CO 0.41 0.47 -0.13 -1.22 -1.33 0.00 0.00 177.39 175.59 3a6l n TYR 191 N -3.89 1.34 -0.04 -1.77 4.01 0.18 -4.95 117.16 112.04 3a6l n TYR 191 Ca -0.41 -3.84 0.22 0.00 -0.16 0.00 0.00 57.90 53.71 3a6l n TYR 191 Cb 0.80 -0.44 0.71 0.00 -0.31 0.00 0.00 39.34 40.10 3a6l n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3a6l h PRO 192 N 3.41 0.00 0.00 -0.72 0.13 -1.55 0.48 132.00 133.74 3a6l h PRO 192 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a6l h PRO 192 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3a6l h PRO 192 CO 0.60 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.93 3a6l h ASP 193 N 0.00 0.00 -0.64 1.44 3.32 -1.92 -2.68 116.42 115.94 3a6l h ASP 193 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3a6l h ASP 193 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3a6l h ASP 193 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3a6l n LEU 194 N -2.73 5.03 -4.02 1.55 4.77 0.16 -4.91 117.00 116.85 3a6l n LEU 194 Ca 0.01 -2.56 -0.15 0.00 -0.03 0.00 0.00 56.01 53.28 3a6l n LEU 194 Cb 0.27 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 3a6l n LEU 194 CO 0.24 0.78 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.98 3a6l s VAL 195 N -2.06 0.54 -0.32 4.08 1.01 -1.01 -3.06 120.40 119.57 3a6l s VAL 195 Ca 0.53 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 3a6l s VAL 195 Cb 0.35 -0.52 0.13 0.00 0.00 0.00 0.00 36.38 36.34 3a6l s VAL 195 CO 0.23 -0.10 0.20 -0.62 0.00 0.00 0.00 175.10 174.81 3a6l s ASP 196 N -0.83 2.97 0.62 3.32 2.15 -0.56 -4.96 116.67 119.38 3a6l s ASP 196 Ca -0.03 -1.69 0.30 0.00 0.43 0.00 0.00 52.55 51.56 3a6l s ASP 196 Cb -0.06 -0.24 1.67 0.00 -0.30 0.00 0.00 42.92 43.98 3a6l s ASP 196 CO 0.00 -0.36 2.02 -0.07 -0.17 0.00 0.00 175.17 176.59 3a6l h LEU 197 N 7.65 0.00 -2.08 -1.34 3.38 -1.97 -1.27 115.31 119.68 3a6l h LEU 197 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3a6l h LEU 197 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3a6l h LEU 197 CO 0.33 0.00 -0.05 0.44 0.09 0.00 0.00 178.44 179.25 3a6l h ASP 198 N 0.00 0.00 0.07 -0.43 3.32 -1.96 -2.35 116.42 115.07 3a6l h ASP 198 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3a6l h ASP 198 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3a6l h ASP 198 CO -0.00 0.05 -0.16 0.54 -1.72 0.00 0.00 179.24 177.96 3a6l n ARG 199 N -3.33 1.41 -1.77 3.56 1.74 -0.48 -4.94 116.66 112.85 3a6l n ARG 199 Ca -0.01 -0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 55.71 3a6l n ARG 199 Cb 0.21 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3a6l n ARG 199 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3a6l s VAL 200 N -2.24 2.05 -0.34 1.55 1.01 -0.89 -4.41 120.40 117.14 3a6l s VAL 200 Ca 0.29 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 3a6l s VAL 200 Cb 0.20 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3a6l s VAL 200 CO 0.43 0.01 0.22 -0.69 0.00 0.00 0.00 175.10 175.06 3a6l s VAL 201 N 0.15 5.07 -1.24 2.92 1.01 -1.26 -5.01 120.40 122.03 3a6l s VAL 201 Ca 0.65 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 3a6l s VAL 201 Cb -0.48 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.42 3a6l s VAL 201 CO 0.46 -0.01 1.54 -0.62 0.00 0.00 0.00 175.10 176.47 3a6l s ASP 202 N 1.68 7.00 0.27 3.32 2.15 -1.26 -4.61 116.67 125.22 3a6l s ASP 202 Ca 0.05 -2.81 0.08 0.00 0.43 0.00 0.00 52.55 50.30 3a6l s ASP 202 Cb -0.17 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 3a6l s ASP 202 CO 0.09 -0.89 0.18 -1.38 -0.17 0.00 0.00 175.17 173.00 3a6l s HIS 203 N 2.48 3.00 0.85 -5.34 -3.43 -1.26 -5.02 115.29 106.58 3a6l s HIS 203 Ca 0.47 -0.17 -0.10 0.00 -0.80 0.00 0.00 55.06 54.46 3a6l s HIS 203 Cb -0.00 -1.44 0.11 0.00 -1.43 0.00 0.00 32.58 29.82 3a6l s HIS 203 CO 0.03 0.48 1.13 -2.14 -2.00 0.00 0.00 174.74 172.24 3a6l s PRO 204 N -3.84 1.53 0.40 -0.38 0.02 -1.26 -3.69 135.00 127.78 3a6l s PRO 204 Ca 0.34 1.42 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 3a6l s PRO 204 Cb -0.07 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 3a6l s PRO 204 CO 0.24 -2.23 1.39 -2.14 -0.33 0.00 0.00 177.00 173.94 3a6l s PRO 205 N -4.71 4.01 0.24 5.54 0.02 -1.26 -4.69 135.00 134.14 3a6l s PRO 205 Ca 0.65 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.74 3a6l s PRO 205 Cb -0.21 -2.85 -0.10 0.00 0.02 0.00 0.00 34.50 31.36 3a6l s PRO 205 CO 0.57 -0.54 1.37 0.00 -0.33 0.00 0.00 177.00 178.07 3a6l s ALA 206 N -1.18 3.57 -0.14 -1.55 0.00 0.67 -5.00 121.76 118.13 3a6l s ALA 206 Ca 0.55 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.75 3a6l s ALA 206 Cb -0.42 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.18 3a6l s ALA 206 CO 0.56 -0.64 -0.16 0.95 0.00 0.00 0.00 175.76 176.47 3a6l s THR 207 N -0.09 2.67 0.13 0.00 -4.23 -1.26 -5.02 115.64 107.84 3a6l s THR 207 Ca 0.57 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 60.40 3a6l s THR 207 Cb -0.39 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3a6l s THR 207 CO 0.42 0.52 -0.24 -0.36 -0.54 0.00 0.00 174.62 174.42 3a6l s PHE 208 N 0.68 2.12 0.88 3.99 0.40 -1.26 -5.13 117.98 119.66 3a6l s PHE 208 Ca -0.08 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.74 3a6l s PHE 208 Cb -0.16 -1.13 0.12 0.00 0.51 0.00 0.00 43.02 42.36 3a6l s PHE 208 CO 0.02 0.31 1.13 -1.25 0.70 0.00 0.00 175.22 176.13 3a6l s PRO 209 N -2.12 1.39 -0.01 0.24 0.04 -1.26 -4.90 135.00 128.38 3a6l s PRO 209 Ca 0.12 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.54 3a6l s PRO 209 Cb -0.10 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3a6l s PRO 209 CO 0.06 -2.04 2.38 -0.35 0.04 0.00 0.00 177.00 177.08 3a6l n PRO 210 N -3.68 1.26 -3.69 0.56 -0.04 -1.26 -4.81 135.00 123.34 3a6l n PRO 210 Ca 0.07 -0.29 -0.09 0.00 -0.04 0.00 0.00 63.50 63.15 3a6l n PRO 210 Cb 0.58 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 3a6l n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a6l s TYR 211 N 0.16 -0.32 0.10 0.54 -0.85 -1.26 -5.18 117.35 110.54 3a6l s TYR 211 Ca 0.16 -0.04 0.08 0.00 -0.52 0.00 0.00 57.07 56.75 3a6l s TYR 211 Cb 0.08 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 3a6l s TYR 211 CO -0.00 -1.08 -0.14 -0.51 -1.52 0.00 0.00 175.55 172.30 3a6l s ASP 212 N -2.85 4.14 -0.06 -0.18 1.11 -1.26 -5.08 116.67 112.48 3a6l s ASP 212 Ca 0.07 -0.45 0.05 0.00 0.18 0.00 0.00 52.55 52.41 3a6l s ASP 212 Cb -0.04 -0.71 -0.01 0.00 1.07 0.00 0.00 42.92 43.23 3a6l s ASP 212 CO -0.01 0.19 -0.23 -0.69 1.18 0.00 0.00 175.17 175.61 3a6l s VAL 213 N -1.14 2.23 -0.02 -1.27 1.01 -1.26 -5.13 120.40 114.83 3a6l s VAL 213 Ca 0.19 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3a6l s VAL 213 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3a6l s VAL 213 CO 0.11 0.57 -0.07 -0.36 0.00 0.00 0.00 175.10 175.35 3a6l s PHE 214 N -0.20 0.73 0.81 5.22 0.08 -1.26 -3.88 117.98 119.48 3a6l s PHE 214 Ca -0.02 -0.16 -0.13 0.00 0.12 0.00 0.00 56.93 56.74 3a6l s PHE 214 Cb -0.13 -0.51 0.09 0.00 -0.57 0.00 0.00 43.02 41.89 3a6l s PHE 214 CO 0.03 -0.06 1.21 -2.14 -0.10 0.00 0.00 175.22 174.16 3a6l s PRO 215 N 0.07 1.60 0.24 0.24 0.02 -1.26 -5.06 135.00 130.85 3a6l s PRO 215 Ca -0.01 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 62.47 3a6l s PRO 215 Cb -0.06 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 3a6l s PRO 215 CO -0.00 -2.24 1.50 0.54 -0.33 0.00 0.00 177.00 176.47 3a6l s VAL 216 N -2.15 2.53 -0.36 3.83 0.11 -1.25 -4.95 120.40 118.15 3a6l s VAL 216 Ca 0.73 0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 60.06 3a6l s VAL 216 Cb -0.29 -3.27 -0.00 0.00 -1.53 0.00 0.00 36.38 31.29 3a6l s VAL 216 CO 0.51 0.06 0.37 -0.62 -3.33 0.00 0.00 175.10 172.09 3a6l s ASP 217 N 0.57 6.17 0.36 3.54 2.15 -1.26 -4.96 116.67 123.24 3a6l s ASP 217 Ca 0.63 -0.39 0.10 0.00 0.43 0.00 0.00 52.55 53.32 3a6l s ASP 217 Cb -0.43 -2.20 0.85 0.00 -0.30 0.00 0.00 42.92 40.84 3a6l s ASP 217 CO 0.41 -0.40 1.86 -0.65 -0.17 0.00 0.00 175.17 176.23 3a6l h PRO 218 N 8.54 0.63 0.00 4.34 0.11 -1.94 -1.44 132.00 142.23 3a6l h PRO 218 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a6l h PRO 218 Cb 1.13 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3a6l h PRO 218 CO 0.72 0.42 0.10 0.00 -0.21 0.00 0.00 178.00 179.03 3a6l h ALA 219 N 1.60 1.08 -0.22 -0.75 0.00 -2.01 -1.68 119.26 117.29 3a6l h ALA 219 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3a6l h ALA 219 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a6l h ALA 219 CO -0.22 -0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.50 3a6l n ARG 220 N -2.46 2.15 -4.92 0.00 1.74 -0.54 -4.86 116.66 107.76 3a6l n ARG 220 Ca -0.02 -1.72 -0.28 0.00 -0.77 0.00 0.00 57.85 55.06 3a6l n ARG 220 Cb 0.14 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 29.95 3a6l n ARG 220 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3a6l s THR 221 N -1.73 1.59 0.11 0.55 -1.32 -0.63 -5.01 115.64 109.19 3a6l s THR 221 Ca 0.35 -0.78 -0.36 0.00 -1.21 0.00 0.00 61.69 59.69 3a6l s THR 221 Cb 0.20 -1.38 -0.17 0.00 -1.51 0.00 0.00 72.50 69.65 3a6l s THR 221 CO 0.30 0.45 1.25 -2.65 -2.21 0.00 0.00 174.62 171.76 3a6l n PRO 222 N 3.34 1.02 -0.33 7.08 -0.02 -1.26 -4.82 135.00 140.01 3a6l n PRO 222 Ca -0.19 0.37 0.17 0.00 -2.02 0.00 0.00 63.50 61.82 3a6l n PRO 222 Cb 0.53 -1.94 0.37 0.00 -0.02 0.00 0.00 33.50 32.43 3a6l n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6l h ALA 223 N 3.99 1.67 0.00 3.55 0.00 -1.90 0.47 119.26 127.06 3a6l h ALA 223 Ca -0.46 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3a6l h ALA 223 Cb 1.35 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3a6l h ALA 223 CO 0.74 -0.35 -0.06 -1.35 0.00 0.00 0.00 179.25 178.23 3a6l h PRO 224 N 0.47 0.00 0.00 0.00 0.11 -2.00 -3.46 132.00 127.12 3a6l h PRO 224 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3a6l h PRO 224 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3a6l h PRO 224 CO -0.52 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 177.74 3a6l n GLY 225 N -0.67 0.26 3.89 -0.55 0.00 0.16 -3.84 105.19 104.44 3a6l n GLY 225 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3a6l n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6l s THR 226 N -2.00 5.05 -2.00 2.61 -4.23 -1.26 -4.50 115.64 109.31 3a6l s THR 226 Ca 0.00 0.17 0.20 0.00 -1.18 0.00 0.00 61.69 60.88 3a6l s THR 226 Cb 0.00 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.21 3a6l s THR 226 CO 0.00 -0.11 1.03 0.18 -0.54 0.00 0.00 174.62 175.18 3a6l n LEU 227 N -0.31 2.07 -3.56 4.79 4.77 -1.16 -4.38 117.00 119.22 3a6l n LEU 227 Ca -0.01 -0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 55.06 3a6l n LEU 227 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3a6l n LEU 227 CO 0.47 0.38 0.79 -0.94 -1.33 0.00 0.00 177.39 176.76 3a6l s SER 228 N -2.13 -0.34 0.33 -1.43 1.04 -1.25 -0.24 113.70 109.68 3a6l s SER 228 Ca 0.18 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 56.60 3a6l s SER 228 Cb 0.16 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 3a6l s SER 228 CO 0.45 -0.38 1.21 -0.55 0.98 0.00 0.00 173.24 174.95 3a6l s SER 229 N -1.49 6.87 -0.24 7.02 0.15 -1.24 -4.29 113.70 120.47 3a6l s SER 229 Ca 0.01 2.48 0.13 0.00 0.70 0.00 0.00 55.95 59.27 3a6l s SER 229 Cb -0.01 -2.63 0.63 0.00 -1.71 0.00 0.00 66.02 62.30 3a6l s SER 229 CO -0.02 -0.45 1.58 0.00 1.20 0.00 0.00 173.24 175.56 3a6l n ALA 230 N 0.75 3.74 -0.31 5.45 0.00 -1.26 -3.92 120.51 124.96 3a6l n ALA 230 Ca 0.01 -2.39 0.01 0.00 0.00 0.00 0.00 53.44 51.06 3a6l n ALA 230 Cb 0.44 -0.92 0.14 0.00 0.00 0.00 0.00 19.45 19.11 3a6l n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a6l h LYS 231 N 2.22 0.95 -0.62 0.00 3.64 -1.92 -2.31 116.57 118.54 3a6l h LYS 231 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3a6l h LYS 231 Cb 1.80 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3a6l h LYS 231 CO 0.43 0.63 0.00 0.25 -2.27 0.00 0.00 179.45 178.49 3a6l n THR 232 N -4.62 0.86 -1.43 1.00 -2.24 -1.26 -4.93 114.28 101.66 3a6l n THR 232 Ca 0.12 -0.52 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 3a6l n THR 232 Cb 0.17 -0.16 0.07 0.00 -2.10 0.00 0.00 70.33 68.32 3a6l n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6l s ALA 233 N -1.68 2.39 0.00 6.98 0.00 -0.87 -5.04 121.76 123.54 3a6l s ALA 233 Ca 0.22 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 3a6l s ALA 233 Cb 0.15 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.10 3a6l s ALA 233 CO 0.10 -1.55 0.81 -1.54 0.00 0.00 0.00 175.76 173.58 3a6l s SER 234 N -3.30 -0.46 0.35 0.00 1.04 -1.26 -4.96 113.70 105.11 3a6l s SER 234 Ca 0.62 0.17 0.04 0.00 0.48 0.00 0.00 55.95 57.25 3a6l s SER 234 Cb -0.17 0.44 0.66 0.00 0.10 0.00 0.00 66.02 67.05 3a6l s SER 234 CO 0.53 -0.66 1.97 -0.09 0.98 0.00 0.00 173.24 175.97 3a6l h ARG 235 N 2.23 0.68 -0.36 4.02 2.43 -1.86 -1.25 114.38 120.28 3a6l h ARG 235 Ca -0.25 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 3a6l h ARG 235 Cb 1.23 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3a6l h ARG 235 CO 0.34 0.53 0.18 0.93 -1.51 0.00 0.00 179.97 180.43 3a6l h GLU 236 N 0.69 0.52 -0.61 0.20 3.07 -1.95 -0.35 114.58 116.14 3a6l h GLU 236 Ca 0.17 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3a6l h GLU 236 Cb 0.06 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3a6l h GLU 236 CO -0.03 0.46 0.19 0.87 -1.40 0.00 0.00 179.01 179.10 3a6l h LYS 237 N 0.45 0.96 -0.57 2.33 1.57 -1.79 -2.19 116.57 117.33 3a6l h LYS 237 Ca 0.13 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3a6l h LYS 237 Cb 0.10 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3a6l h LYS 237 CO -0.02 0.85 0.33 0.78 -0.57 0.00 0.00 179.45 180.82 3a6l h GLY 238 N 0.88 0.81 1.85 3.86 0.00 -0.74 -0.18 103.07 109.54 3a6l h GLY 238 Ca 0.20 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 3a6l h GLY 238 CO -0.01 0.19 -0.36 0.83 0.00 0.00 0.00 176.54 177.19 3a6l h GLU 239 N 0.65 0.17 -0.13 4.80 5.08 -0.91 -0.17 114.58 124.07 3a6l h GLU 239 Ca 0.23 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3a6l h GLU 239 Cb 0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3a6l h GLU 239 CO -0.12 0.52 -0.04 1.25 -1.00 0.00 0.00 179.01 179.63 3a6l h LEU 240 N 0.15 0.27 -0.10 1.33 5.85 -0.74 -2.53 115.31 119.54 3a6l h LEU 240 Ca 0.02 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.37 3a6l h LEU 240 Cb 0.72 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3a6l h LEU 240 CO 0.05 0.58 0.01 0.40 -0.34 0.00 0.00 178.44 179.14 3a6l h ILE 241 N -0.05 0.94 -0.55 4.05 2.04 -0.75 -2.31 117.51 120.88 3a6l h ILE 241 Ca 0.03 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3a6l h ILE 241 Cb 0.47 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3a6l h ILE 241 CO 0.01 0.01 0.22 0.25 0.00 0.00 0.00 178.15 178.64 3a6l h LEU 242 N 0.04 0.24 -0.80 1.44 5.85 -1.02 -0.34 115.31 120.73 3a6l h LEU 242 Ca 0.05 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3a6l h LEU 242 Cb 0.05 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3a6l h LEU 242 CO -0.07 0.16 -0.29 -0.08 -0.34 0.00 0.00 178.44 177.82 3a6l h GLU 243 N 0.41 0.57 -0.29 1.25 4.57 -1.33 0.00 114.58 119.77 3a6l h GLU 243 Ca 0.26 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 3a6l h GLU 243 Cb 0.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3a6l h GLU 243 CO -0.25 0.80 -0.03 0.28 -1.18 0.00 0.00 179.01 178.63 3a6l h VAL 244 N 0.50 1.27 -0.06 0.32 2.07 -0.89 -0.77 116.25 118.69 3a6l h VAL 244 Ca 0.06 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3a6l h VAL 244 Cb 0.75 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3a6l h VAL 244 CO 0.06 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3a6l h VAL 246 N -0.17 1.14 0.65 0.00 2.07 -1.02 -0.10 116.25 118.82 3a6l h VAL 246 Ca 0.02 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3a6l h VAL 246 Cb 0.31 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3a6l h VAL 246 CO 0.00 0.14 -0.31 -0.61 0.02 0.00 0.00 177.57 176.81 3a6l h GLN 247 N 0.44 -0.84 -0.49 1.57 5.75 -1.13 -0.44 115.11 119.98 3a6l h GLN 247 Ca 0.12 0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 3a6l h GLN 247 Cb 0.06 0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.75 3a6l h GLN 247 CO -0.02 -0.55 0.20 0.78 -2.65 0.00 0.00 178.83 176.59 3a6l h GLY 248 N -0.89 0.66 1.12 2.39 0.00 -1.01 -1.14 103.07 104.20 3a6l h GLY 248 Ca -0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3a6l h GLY 248 CO 0.15 0.04 -0.21 -2.22 0.00 0.00 0.00 176.54 174.29 3a6l h ILE 249 N 0.39 1.27 -0.70 2.60 2.04 -0.97 -1.69 117.51 120.44 3a6l h ILE 249 Ca 0.23 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 3a6l h ILE 249 Cb 0.21 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3a6l h ILE 249 CO -0.21 0.48 0.26 0.00 0.00 0.00 0.00 178.15 178.68 3a6l h ALA 250 N 0.88 0.92 -0.65 1.87 0.00 -0.80 -0.98 119.26 120.50 3a6l h ALA 250 Ca 0.11 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3a6l h ALA 250 Cb 0.79 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3a6l h ALA 250 CO 0.07 0.55 0.08 -0.44 0.00 0.00 0.00 179.25 179.51 3a6l h ASP 251 N 1.01 1.05 -0.66 0.00 3.32 -1.07 -1.53 116.42 118.55 3a6l h ASP 251 Ca 0.23 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3a6l h ASP 251 Cb 0.24 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3a6l h ASP 251 CO -0.02 1.06 0.24 0.00 -1.72 0.00 0.00 179.24 178.81 3a6l h ALA 252 N 1.03 0.86 -0.42 3.45 0.00 -0.96 -1.13 119.26 122.09 3a6l h ALA 252 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3a6l h ALA 252 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3a6l h ALA 252 CO 0.02 0.49 0.08 0.82 0.00 0.00 0.00 179.25 180.66 3a6l h ILE 253 N 0.93 1.24 -0.36 0.00 2.04 -0.95 0.13 117.51 120.55 3a6l h ILE 253 Ca 0.22 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3a6l h ILE 253 Cb 0.24 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3a6l h ILE 253 CO -0.01 0.30 0.19 0.03 0.00 0.00 0.00 178.15 178.65 3a6l h ARG 254 N 0.56 0.48 -0.01 2.37 3.08 -1.06 0.84 114.38 120.64 3a6l h ARG 254 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3a6l h ARG 254 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3a6l h ARG 254 CO 0.01 0.36 -0.04 1.49 -1.07 0.00 0.00 179.97 180.71 3a6l h GLU 255 N 0.49 0.04 -0.04 0.04 4.81 -0.67 -3.04 114.58 116.22 3a6l h GLU 255 Ca 0.13 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 3a6l h GLU 255 Cb 0.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3a6l h GLU 255 CO -0.02 0.71 -0.72 0.93 -0.73 0.00 0.00 179.01 179.18 3a6l h GLU 256 N -0.61 0.20 -2.22 1.92 4.39 -0.44 -3.36 114.58 114.47 3a6l h GLU 256 Ca -0.00 -0.17 -0.58 0.00 0.34 0.00 0.00 59.36 58.95 3a6l h GLU 256 Cb 0.72 0.04 -0.42 0.00 -0.10 0.00 0.00 28.75 28.99 3a6l h GLU 256 CO 0.01 0.83 -0.70 1.19 -1.16 0.00 0.00 179.01 179.18 3a6l n PHE 257 N -3.78 3.34 -1.71 4.33 3.72 0.29 -5.08 117.46 118.57 3a6l n PHE 257 Ca -0.03 -4.01 -0.38 0.00 -0.05 0.00 0.00 57.45 52.99 3a6l n PHE 257 Cb 0.69 -0.50 0.06 0.00 -0.94 0.00 0.00 39.48 38.79 3a6l n PHE 257 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3a6l n PRO 258 N 0.24 1.28 0.00 -1.08 -0.04 -1.15 -4.67 135.00 129.58 3a6l n PRO 258 Ca 0.30 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 3a6l n PRO 258 Cb 0.43 -2.48 0.02 0.00 -0.04 0.00 0.00 33.50 31.42 3a6l n PRO 258 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16