#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2o n LEU 16 N 0.00 -1.11 -4.77 3.41 4.32 -1.26 -4.99 117.00 112.60 3d2o n LEU 16 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 3d2o n LEU 16 Cb 0.00 -0.55 0.03 0.00 -1.62 0.00 0.00 43.42 41.28 3d2o n LEU 16 CO 0.00 0.00 0.75 -2.16 -1.22 0.00 0.00 177.39 174.76 3d2o s PRO 17 N -2.03 2.98 -0.23 3.23 0.04 -1.26 -4.32 135.00 133.41 3d2o s PRO 17 Ca 0.00 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 3d2o s PRO 17 Cb 0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3d2o s PRO 17 CO 0.00 -1.12 0.02 0.42 0.04 0.00 0.00 177.00 176.36 3d2o s ILE 18 N -2.21 3.86 0.21 0.56 1.01 -0.15 -4.92 121.20 119.57 3d2o s ILE 18 Ca 0.68 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 3d2o s ILE 18 Cb -0.21 -2.78 0.19 0.00 0.01 0.00 0.00 42.46 39.67 3d2o s ILE 18 CO 0.37 0.38 1.67 0.78 0.00 0.00 0.00 174.94 178.14 3d2o h ASN 19 N 8.16 -0.27 -3.49 3.58 2.35 -1.90 -0.80 115.58 123.22 3d2o h ASN 19 Ca -0.40 0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.38 3d2o h ASN 19 Cb 1.17 0.26 -0.26 0.00 0.05 0.00 0.00 38.32 39.54 3d2o h ASN 19 CO 0.59 -0.11 -0.29 -1.10 -1.65 0.00 0.00 177.43 174.88 3d2o s GLN 20 N -6.15 0.41 -0.05 0.81 -1.52 -1.26 -3.83 119.66 108.08 3d2o s GLN 20 Ca -0.13 0.69 -0.04 0.00 -1.95 0.00 0.00 55.36 53.92 3d2o s GLN 20 Cb 0.19 0.07 0.02 0.00 -0.22 0.00 0.00 33.01 33.06 3d2o s GLN 20 CO 0.74 -0.12 0.13 0.54 -0.25 0.00 0.00 175.29 176.33 3d2o s VAL 21 N 0.92 -0.01 -0.72 1.09 0.11 0.19 -4.89 120.40 117.10 3d2o s VAL 21 Ca -0.06 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 3d2o s VAL 21 Cb -0.06 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 3d2o s VAL 21 CO -0.07 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 3d2o n GLY 22 N 3.13 -0.67 3.52 6.54 0.00 -1.26 -0.86 105.19 115.59 3d2o n GLY 22 Ca -0.14 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3d2o n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d2o s ILE 23 N -4.00 2.95 -0.01 -0.61 -4.36 -0.09 -4.98 121.20 110.11 3d2o s ILE 23 Ca 0.00 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 3d2o s ILE 23 Cb 0.00 -2.43 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 3d2o s ILE 23 CO 0.00 -0.07 -0.09 -0.75 0.24 0.00 0.00 174.94 174.27 3d2o s LYS 24 N -2.65 0.82 -1.28 0.37 2.20 -1.26 -1.36 119.74 116.57 3d2o s LYS 24 Ca 0.23 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 3d2o s LYS 24 Cb -0.09 -0.79 0.01 0.00 -1.51 0.00 0.00 37.83 35.45 3d2o s LYS 24 CO 0.13 0.17 0.90 -0.25 -0.36 0.00 0.00 175.35 175.94 3d2o n ASP 25 N 3.00 -2.34 -4.69 1.43 8.00 -0.28 -4.95 116.55 116.73 3d2o n ASP 25 Ca -0.15 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 3d2o n ASP 25 Cb 0.56 -4.61 -0.03 0.00 -0.02 0.00 0.00 41.12 37.02 3d2o n ASP 25 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3d2o s LEU 26 N -6.65 4.26 0.02 0.64 2.96 -0.40 -4.77 118.68 114.74 3d2o s LEU 26 Ca 0.11 1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 55.50 3d2o s LEU 26 Cb -0.05 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 3d2o s LEU 26 CO 0.77 -0.47 0.37 -0.60 -1.32 0.00 0.00 176.35 175.10 3d2o s ARG 27 N 1.99 3.79 -0.28 1.98 3.52 -1.26 0.35 118.95 129.04 3d2o s ARG 27 Ca 0.50 0.24 -0.20 0.00 -0.13 0.00 0.00 55.73 56.14 3d2o s ARG 27 Cb -0.20 -3.12 0.10 0.00 -1.56 0.00 0.00 34.95 30.18 3d2o s ARG 27 CO 0.19 0.65 0.84 0.12 -0.81 0.00 0.00 175.30 176.29 3d2o s PHE 28 N -1.22 -0.75 0.30 5.12 5.36 -0.01 -4.98 117.98 121.80 3d2o s PHE 28 Ca 0.27 1.64 -0.28 0.00 -0.96 0.00 0.00 56.93 57.59 3d2o s PHE 28 Cb -0.15 0.42 -0.09 0.00 -0.34 0.00 0.00 43.02 42.86 3d2o s PHE 28 CO 0.15 -0.37 1.07 -1.25 -1.46 0.00 0.00 175.22 173.35 3d2o s PRO 29 N 0.97 4.58 0.09 10.12 0.04 -1.26 -0.47 135.00 149.07 3d2o s PRO 29 Ca -0.05 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.73 3d2o s PRO 29 Cb -0.05 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 3d2o s PRO 29 CO -0.11 0.18 -0.07 0.96 0.04 0.00 0.00 177.00 178.00 3d2o s ILE 30 N -1.26 0.74 -0.12 0.56 -4.36 -0.65 -4.88 121.20 111.23 3d2o s ILE 30 Ca 0.47 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3d2o s ILE 30 Cb -0.29 -1.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 3d2o s ILE 30 CO 0.37 -0.75 -0.13 -0.89 0.24 0.00 0.00 174.94 173.78 3d2o s THR 31 N -3.13 3.03 -0.12 8.37 2.01 -1.26 -0.87 115.64 123.66 3d2o s THR 31 Ca 0.08 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3d2o s THR 31 Cb 0.02 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 3d2o s THR 31 CO -0.03 0.53 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.00 3d2o s LEU 32 N 0.29 2.24 -0.16 4.42 2.96 0.17 -0.18 118.68 128.42 3d2o s LEU 32 Ca -0.10 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3d2o s LEU 32 Cb -0.16 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3d2o s LEU 32 CO 0.06 0.13 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.41 3d2o s LYS 33 N 0.51 3.58 0.33 1.98 2.20 0.07 -0.75 119.74 127.66 3d2o s LYS 33 Ca -0.13 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 54.96 3d2o s LYS 33 Cb -0.17 -2.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3d2o s LYS 33 CO 0.05 0.18 0.19 0.25 -0.36 0.00 0.00 175.35 175.66 3d2o n THR 34 N 3.69 0.00 -0.03 3.43 -2.24 -0.11 -4.52 114.28 114.50 3d2o n THR 34 Ca -0.18 -2.16 0.06 0.00 -2.27 0.00 0.00 64.05 59.50 3d2o n THR 34 Cb 0.52 0.93 0.44 0.00 -2.10 0.00 0.00 70.33 70.12 3d2o n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d2o h ALA 35 N 1.78 1.79 -0.02 6.98 0.00 -2.00 -2.35 119.26 125.44 3d2o h ALA 35 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d2o h ALA 35 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3d2o h ALA 35 CO 0.38 0.16 -0.03 0.39 0.00 0.00 0.00 179.25 180.14 3d2o n GLU 36 N -4.47 1.82 0.00 0.00 1.02 -1.26 -5.04 120.64 112.71 3d2o n GLU 36 Ca 0.05 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 3d2o n GLU 36 Cb 0.15 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3d2o n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d2o n GLY 37 N 1.26 1.78 3.57 0.62 0.00 -0.88 -5.12 105.19 106.41 3d2o n GLY 37 Ca 0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3d2o n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d2o s THR 38 N -1.89 3.83 0.04 2.61 2.01 -1.26 -0.94 115.64 120.05 3d2o s THR 38 Ca 0.00 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 3d2o s THR 38 Cb 0.00 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 3d2o s THR 38 CO 0.00 0.57 0.04 0.00 -0.69 0.00 0.00 174.62 174.53 3d2o s GLN 39 N -0.46 0.57 -0.14 4.92 -2.07 0.07 -4.97 119.66 117.59 3d2o s GLN 39 Ca 0.07 -0.93 -0.06 0.00 -1.82 0.00 0.00 55.36 52.62 3d2o s GLN 39 Cb -0.12 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 3d2o s GLN 39 CO 0.02 -0.13 0.09 -1.12 -1.32 0.00 0.00 175.29 172.84 3d2o s SER 40 N -2.39 5.96 0.00 12.60 0.01 -1.26 0.44 113.70 129.06 3d2o s SER 40 Ca -0.01 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3d2o s SER 40 Cb 0.01 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.32 3d2o s SER 40 CO -0.07 0.32 0.00 1.07 0.41 0.00 0.00 173.24 174.97 3d2o n THR 41 N 2.57 0.00 -4.27 1.44 5.66 -0.05 -4.99 114.28 114.64 3d2o n THR 41 Ca -0.18 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.59 3d2o n THR 41 Cb 0.54 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.15 3d2o n THR 41 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3d2o s VAL 42 N -2.27 0.84 0.20 1.08 1.01 -1.26 -1.63 120.40 118.37 3d2o s VAL 42 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3d2o s VAL 42 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3d2o s VAL 42 CO 0.00 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.42 3d2o s ALA 43 N 1.01 3.24 -0.13 5.51 0.00 0.39 -4.25 121.76 127.52 3d2o s ALA 43 Ca -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 3d2o s ALA 43 Cb -0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3d2o s ALA 43 CO -0.00 0.42 0.03 1.03 0.00 0.00 0.00 175.76 177.24 3d2o s ARG 44 N -3.18 3.43 -0.02 0.00 1.81 -0.19 -0.83 118.95 119.97 3d2o s ARG 44 Ca 0.29 -0.36 0.08 0.00 -1.72 0.00 0.00 55.73 54.02 3d2o s ARG 44 Cb -0.09 -2.99 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 3d2o s ARG 44 CO 0.20 0.53 -0.26 -0.51 -0.68 0.00 0.00 175.30 174.58 3d2o s LEU 45 N -0.38 2.05 -0.10 2.53 1.02 0.15 -1.43 118.68 122.52 3d2o s LEU 45 Ca 0.08 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.80 3d2o s LEU 45 Cb -0.12 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.77 3d2o s LEU 45 CO 0.02 0.32 -0.23 -0.89 0.02 0.00 0.00 176.35 175.59 3d2o s THR 46 N -0.61 1.99 -0.10 5.49 2.01 -0.81 -1.12 115.64 122.49 3d2o s THR 46 Ca 0.10 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 3d2o s THR 46 Cb -0.10 -1.73 0.04 0.00 0.01 0.00 0.00 72.50 70.72 3d2o s THR 46 CO -0.01 0.54 0.06 -0.04 -0.69 0.00 0.00 174.62 174.49 3d2o s MET 47 N 0.44 0.10 0.08 4.92 -1.94 -0.47 -1.43 119.30 120.99 3d2o s MET 47 Ca -0.17 0.12 0.01 0.00 -1.71 0.00 0.00 55.69 53.94 3d2o s MET 47 Cb -0.17 -1.18 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 3d2o s MET 47 CO 0.07 -0.48 -0.06 0.95 -0.01 0.00 0.00 175.02 175.49 3d2o s THR 48 N 2.11 0.57 0.15 2.05 -4.23 -0.50 -0.91 115.64 114.89 3d2o s THR 48 Ca 0.03 -1.70 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3d2o s THR 48 Cb -0.14 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3d2o s THR 48 CO -0.06 -0.77 -0.13 0.68 -0.54 0.00 0.00 174.62 173.80 3d2o s VAL 49 N -3.11 1.42 0.37 2.29 -7.23 -0.04 -0.88 120.40 113.22 3d2o s VAL 49 Ca 0.06 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 3d2o s VAL 49 Cb 0.02 -1.78 -0.11 0.00 0.56 0.00 0.00 36.38 35.07 3d2o s VAL 49 CO -0.04 -0.56 1.48 -0.47 -0.31 0.00 0.00 175.10 175.20 3d2o s TYR 50 N -2.71 2.64 -0.17 2.82 5.04 0.46 -0.64 117.35 124.78 3d2o s TYR 50 Ca 0.15 1.15 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 3d2o s TYR 50 Cb -0.02 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.32 3d2o s TYR 50 CO 0.03 -2.96 -0.17 -1.17 -1.34 0.00 0.00 175.55 169.94 3d2o s LEU 51 N -1.93 2.03 0.57 6.97 2.96 -0.31 -4.71 118.68 124.27 3d2o s LEU 51 Ca 0.53 -0.64 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 3d2o s LEU 51 Cb -0.46 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3d2o s LEU 51 CO 0.61 -0.04 1.30 -2.84 -1.32 0.00 0.00 176.35 174.07 3d2o s PRO 52 N 1.36 3.00 0.30 0.98 0.02 -1.26 -0.97 135.00 138.42 3d2o s PRO 52 Ca 0.04 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.14 3d2o s PRO 52 Cb -0.13 -2.10 0.67 0.00 0.02 0.00 0.00 34.50 32.95 3d2o s PRO 52 CO -0.12 -1.26 1.57 0.00 -0.33 0.00 0.00 177.00 176.87 3d2o h ALA 53 N 1.16 1.02 -0.17 -1.55 0.00 -1.92 -1.42 119.26 116.39 3d2o h ALA 53 Ca -0.51 0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d2o h ALA 53 Cb 1.31 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3d2o h ALA 53 CO 0.56 -0.52 0.00 -0.85 0.00 0.00 0.00 179.25 178.44 3d2o n GLU 54 N -5.52 2.09 -3.02 0.00 0.28 -1.26 -4.24 120.64 108.98 3d2o n GLU 54 Ca 0.21 -1.62 -0.40 0.00 -0.16 0.00 0.00 57.16 55.19 3d2o n GLU 54 Cb 0.68 -1.46 -0.05 0.00 1.43 0.00 0.00 31.44 32.04 3d2o n GLU 54 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3d2o s GLN 55 N -1.80 4.45 0.05 3.44 0.74 -0.54 -4.99 119.66 121.01 3d2o s GLN 55 Ca 0.34 0.95 -0.16 0.00 0.05 0.00 0.00 55.36 56.55 3d2o s GLN 55 Cb 0.20 -3.42 -0.27 0.00 1.10 0.00 0.00 33.01 30.63 3d2o s GLN 55 CO 0.30 0.14 1.11 -0.22 -0.55 0.00 0.00 175.29 176.07 3d2o h LYS 56 N 6.39 0.60 -3.23 1.67 3.64 -1.90 -3.45 116.57 120.30 3d2o h LYS 56 Ca -0.42 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.22 3d2o h LYS 56 Cb 1.20 0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 33.17 3d2o h LYS 56 CO 0.74 1.32 0.09 0.20 -2.27 0.00 0.00 179.45 179.53 3d2o s GLY 57 N -4.35 -0.04 0.00 5.01 0.00 -1.26 -5.17 107.32 101.50 3d2o s GLY 57 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3d2o s GLY 57 CO 0.91 -0.22 0.00 -0.37 0.00 0.00 0.00 173.10 173.42 3d2o n THR 58 N -0.39 0.00 -3.91 0.90 5.66 -1.26 -5.07 114.28 110.21 3d2o n THR 58 Ca -0.07 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.64 3d2o n THR 58 Cb 0.61 -0.95 -0.13 0.00 -1.55 0.00 0.00 70.33 68.31 3d2o n THR 58 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3d2o s HIS 59 N 1.38 3.39 0.33 1.09 0.09 -1.26 -4.99 115.29 115.31 3d2o s HIS 59 Ca 0.00 -3.26 0.06 0.00 -0.00 0.00 0.00 55.06 51.85 3d2o s HIS 59 Cb 0.00 -2.73 0.70 0.00 -0.00 0.00 0.00 32.58 30.56 3d2o s HIS 59 CO 0.00 -0.62 1.87 0.52 -0.00 0.00 0.00 174.74 176.50 3d2o h MET 60 N 5.82 0.80 0.00 1.40 2.86 -1.97 -2.16 114.93 121.68 3d2o h MET 60 Ca 0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3d2o h MET 60 Cb 0.81 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 3d2o h MET 60 CO 0.70 0.53 -0.03 0.66 1.06 0.00 0.00 176.91 179.83 3d2o h SER 61 N 0.82 0.00 0.75 1.22 4.64 -2.02 -3.14 113.55 115.83 3d2o h SER 61 Ca 0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.67 3d2o h SER 61 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3d2o h SER 61 CO -0.21 0.03 -0.50 0.03 -0.87 0.00 0.00 176.83 175.31 3d2o h ARG 62 N 0.00 0.00 0.07 4.77 3.08 -1.81 -0.57 114.38 119.91 3d2o h ARG 62 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d2o h ARG 62 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3d2o h ARG 62 CO 0.00 0.50 -0.03 0.74 -1.07 0.00 0.00 179.97 180.11 3d2o h PHE 63 N 0.00 -0.08 -0.41 3.04 0.04 -1.70 -0.25 116.94 117.58 3d2o h PHE 63 Ca -0.00 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 3d2o h PHE 63 Cb 1.01 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.17 3d2o h PHE 63 CO 0.00 0.02 0.07 0.28 -0.60 0.00 0.00 178.31 178.08 3d2o h VAL 64 N -0.17 1.24 -0.66 -0.55 2.07 -1.69 -2.67 116.25 113.83 3d2o h VAL 64 Ca -0.01 -0.87 0.14 0.00 0.82 0.00 0.00 66.70 66.78 3d2o h VAL 64 Cb 0.14 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 3d2o h VAL 64 CO 0.02 0.30 -0.00 0.00 0.02 0.00 0.00 177.57 177.90 3d2o h ALA 65 N 0.93 0.65 -0.50 1.67 0.00 -1.05 -1.53 119.26 119.43 3d2o h ALA 65 Ca 0.12 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3d2o h ALA 65 Cb 0.37 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3d2o h ALA 65 CO 0.01 -0.40 0.30 1.25 0.00 0.00 0.00 179.25 180.41 3d2o h LEU 66 N 0.11 0.48 -0.49 0.00 5.85 -0.79 -2.23 115.31 118.23 3d2o h LEU 66 Ca 0.35 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.96 3d2o h LEU 66 Cb 0.58 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3d2o h LEU 66 CO -0.57 0.34 -0.13 0.24 -0.34 0.00 0.00 178.44 177.98 3d2o h MET 67 N 0.59 0.96 -0.43 1.25 2.86 -1.06 -2.83 114.93 116.28 3d2o h MET 67 Ca 0.20 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3d2o h MET 67 Cb 0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3d2o h MET 67 CO -0.10 1.04 0.10 0.93 1.06 0.00 0.00 176.91 179.95 3d2o h GLU 68 N 0.81 0.64 -0.37 1.72 4.39 -1.20 -3.17 114.58 117.42 3d2o h GLU 68 Ca 0.12 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 3d2o h GLU 68 Cb 0.69 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3d2o h GLU 68 CO 0.05 0.58 -0.41 1.96 -1.16 0.00 0.00 179.01 180.03 3d2o h GLN 69 N 0.62 0.93 -6.13 2.33 4.20 -1.26 -3.43 115.11 112.37 3d2o h GLN 69 Ca 0.14 -0.51 -0.59 0.00 0.06 0.00 0.00 58.65 57.76 3d2o h GLN 69 Cb 0.24 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 3d2o h GLN 69 CO -0.00 1.16 0.65 -1.01 -0.67 0.00 0.00 178.83 178.95 3d2o s HIS 70 N -4.35 3.10 -0.88 2.96 3.76 -1.08 -4.87 115.29 113.93 3d2o s HIS 70 Ca -0.11 0.87 0.24 0.00 -0.15 0.00 0.00 55.06 55.90 3d2o s HIS 70 Cb 0.11 -3.65 0.21 0.00 1.11 0.00 0.00 32.58 30.36 3d2o s HIS 70 CO 0.88 -0.81 1.19 2.41 -0.85 0.00 0.00 174.74 177.57 3d2o n THR 71 N 5.94 0.06 -1.67 1.30 -1.04 -1.26 -4.96 114.28 112.66 3d2o n THR 71 Ca 0.08 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 3d2o n THR 71 Cb 0.48 0.39 0.02 0.00 -1.82 0.00 0.00 70.33 69.40 3d2o n THR 71 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3d2o n GLU 72 N -1.64 1.66 -1.91 -2.82 -0.58 -1.26 -4.95 120.64 109.13 3d2o n GLU 72 Ca 0.04 0.59 -0.40 0.00 -0.42 0.00 0.00 57.16 56.98 3d2o n GLU 72 Cb 0.36 -2.27 0.01 0.00 -0.57 0.00 0.00 31.44 28.98 3d2o n GLU 72 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3d2o s VAL 73 N -1.25 2.30 -0.05 2.62 1.01 -1.26 -4.83 120.40 118.94 3d2o s VAL 73 Ca 0.63 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 3d2o s VAL 73 Cb -0.51 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3d2o s VAL 73 CO 0.56 0.04 0.83 -0.22 0.00 0.00 0.00 175.10 176.31 3d2o s LEU 74 N -2.57 4.32 0.00 3.92 2.96 0.75 -4.77 118.68 123.29 3d2o s LEU 74 Ca 0.59 1.38 -0.03 0.00 -0.22 0.00 0.00 54.13 55.84 3d2o s LEU 74 Cb -0.41 -3.30 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3d2o s LEU 74 CO 0.53 -0.21 0.52 -0.90 -1.32 0.00 0.00 176.35 174.98 3d2o n ASP 75 N 4.01 -1.47 -0.26 3.68 5.68 -1.26 -0.75 116.55 126.18 3d2o n ASP 75 Ca 0.02 -2.88 0.06 0.00 -0.50 0.00 0.00 54.79 51.50 3d2o n ASP 75 Cb 0.51 2.70 0.19 0.00 -1.14 0.00 0.00 41.12 43.38 3d2o n ASP 75 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3d2o h PHE 76 N 2.02 0.23 -0.39 2.11 3.57 -1.96 -1.13 116.94 121.38 3d2o h PHE 76 Ca -0.28 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 3d2o h PHE 76 Cb 1.20 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3d2o h PHE 76 CO 0.00 -0.13 0.03 0.00 -2.23 0.00 0.00 178.31 175.98 3d2o h ALA 77 N 1.65 0.52 -0.12 2.41 0.00 -1.98 -2.91 119.26 118.83 3d2o h ALA 77 Ca 0.43 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3d2o h ALA 77 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3d2o h ALA 77 CO -0.56 0.27 -0.29 0.37 0.00 0.00 0.00 179.25 179.04 3d2o h GLN 78 N 0.50 0.22 -0.60 0.00 5.75 -1.55 -2.21 115.11 117.22 3d2o h GLN 78 Ca 0.11 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 3d2o h GLN 78 Cb 0.43 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3d2o h GLN 78 CO 0.01 0.49 0.02 1.25 -2.65 0.00 0.00 178.83 177.96 3d2o h LEU 79 N 0.19 1.01 0.16 -2.39 5.85 -1.24 0.10 115.31 119.00 3d2o h LEU 79 Ca 0.03 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3d2o h LEU 79 Cb 0.62 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3d2o h LEU 79 CO 0.04 1.06 -0.08 -0.74 -0.34 0.00 0.00 178.44 178.38 3d2o h HIS 80 N 0.93 -0.20 -0.84 1.25 2.76 -1.29 -1.09 115.15 116.67 3d2o h HIS 80 Ca 0.17 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3d2o h HIS 80 Cb 0.52 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 3d2o h HIS 80 CO 0.04 -0.10 0.56 -0.09 -1.30 0.00 0.00 177.93 177.04 3d2o h ARG 81 N -0.25 1.07 -0.23 5.26 2.43 -1.12 -0.64 114.38 120.91 3d2o h ARG 81 Ca -0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3d2o h ARG 81 Cb 0.19 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3d2o h ARG 81 CO 0.04 0.71 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.11 3d2o h LEU 82 N 1.10 0.42 -0.68 3.80 3.38 -0.67 -1.71 115.31 120.95 3d2o h LEU 82 Ca 0.32 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3d2o h LEU 82 Cb -0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3d2o h LEU 82 CO -0.08 0.65 0.31 0.74 0.09 0.00 0.00 178.44 180.15 3d2o h THR 83 N 0.18 1.23 -0.15 0.22 2.02 -0.83 -0.95 112.91 114.64 3d2o h THR 83 Ca 0.06 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3d2o h THR 83 Cb 0.45 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3d2o h THR 83 CO 0.02 0.28 -0.06 0.00 0.37 0.00 0.00 175.52 176.13 3d2o h ALA 84 N 1.14 0.08 -0.05 6.16 0.00 -1.11 -2.57 119.26 122.91 3d2o h ALA 84 Ca 0.23 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3d2o h ALA 84 Cb 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3d2o h ALA 84 CO -0.03 -0.50 -0.27 1.49 0.00 0.00 0.00 179.25 179.94 3d2o h GLU 85 N -0.03 0.09 0.25 0.00 4.81 -1.13 -2.34 114.58 116.22 3d2o h GLU 85 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3d2o h GLU 85 Cb 0.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3d2o h GLU 85 CO -0.17 0.36 -0.12 1.98 -0.73 0.00 0.00 179.01 180.32 3d2o h MET 86 N 0.08 -0.33 -0.17 1.92 4.05 -0.99 0.44 114.93 119.94 3d2o h MET 86 Ca 0.01 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3d2o h MET 86 Cb 0.53 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 3d2o h MET 86 CO 0.04 -0.00 -0.06 -0.39 0.23 0.00 0.00 176.91 176.73 3d2o h VAL 87 N -0.70 1.14 0.36 -5.77 -1.51 -1.35 0.11 116.25 108.54 3d2o h VAL 87 Ca -0.03 -0.59 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 3d2o h VAL 87 Cb 0.48 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3d2o h VAL 87 CO 0.06 0.19 -0.17 0.00 -1.23 0.00 0.00 177.57 176.41 3d2o h ALA 88 N 1.71 -0.49 -0.65 5.19 0.00 -1.41 0.17 119.26 123.79 3d2o h ALA 88 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3d2o h ALA 88 Cb 0.26 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3d2o h ALA 88 CO 0.01 -0.69 0.24 1.25 0.00 0.00 0.00 179.25 180.07 3d2o h LEU 89 N -0.67 0.88 -0.66 0.00 5.85 -0.35 -0.94 115.31 119.42 3d2o h LEU 89 Ca -0.05 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3d2o h LEU 89 Cb 0.48 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3d2o h LEU 89 CO 0.08 0.79 0.00 0.18 -0.34 0.00 0.00 178.44 179.16 3d2o n LEU 90 N -4.30 0.99 -3.93 2.25 4.32 0.33 -4.92 117.00 111.74 3d2o n LEU 90 Ca 0.06 -0.42 -0.27 0.00 -0.02 0.00 0.00 56.01 55.35 3d2o n LEU 90 Cb 0.18 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 3d2o n LEU 90 CO 0.40 0.21 -0.22 0.47 -1.22 0.00 0.00 177.39 177.03 3d2o n ASP 91 N -0.11 -1.10 -4.44 -1.43 8.00 -0.36 -4.92 116.55 112.18 3d2o n ASP 91 Ca 0.15 -1.03 -0.26 0.00 0.71 0.00 0.00 54.79 54.36 3d2o n ASP 91 Cb 0.22 -2.99 -0.11 0.00 -0.02 0.00 0.00 41.12 38.21 3d2o n ASP 91 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3d2o s SER 92 N -4.22 3.48 0.45 -2.24 0.15 0.54 -5.03 113.70 106.83 3d2o s SER 92 Ca 0.09 -0.93 0.25 0.00 0.70 0.00 0.00 55.95 56.05 3d2o s SER 92 Cb -0.03 -0.27 0.95 0.00 -1.71 0.00 0.00 66.02 64.95 3d2o s SER 92 CO 0.89 0.08 1.84 0.08 1.20 0.00 0.00 173.24 177.33 3d2o h ARG 93 N 2.83 0.00 -3.27 5.44 0.11 -1.85 -3.42 114.38 114.23 3d2o h ARG 93 Ca -0.44 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.61 3d2o h ARG 93 Cb 1.23 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.19 3d2o h ARG 93 CO 0.53 0.21 0.02 0.00 0.10 0.00 0.00 179.97 180.83 3d2o s ALA 94 N -3.66 -1.12 -0.09 0.08 0.00 -1.26 -1.13 121.76 114.58 3d2o s ALA 94 Ca 0.01 0.07 -0.33 0.00 0.00 0.00 0.00 51.96 51.71 3d2o s ALA 94 Cb 0.10 0.77 0.15 0.00 0.00 0.00 0.00 23.12 24.14 3d2o s ALA 94 CO 0.63 -0.71 1.43 0.20 0.00 0.00 0.00 175.76 177.32 3d2o s GLY 95 N -2.80 -0.50 0.00 0.00 0.00 -0.61 -0.40 107.32 103.01 3d2o s GLY 95 Ca 0.03 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.71 3d2o s GLY 95 CO -0.11 0.18 -0.01 0.54 0.00 0.00 0.00 173.10 173.70 3d2o s LYS 96 N -2.05 0.10 -0.13 2.90 1.02 -0.06 -1.06 119.74 120.46 3d2o s LYS 96 Ca 0.15 -0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.08 3d2o s LYS 96 Cb 0.08 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 3d2o s LYS 96 CO -0.07 0.02 -0.22 0.42 -0.92 0.00 0.00 175.35 174.58 3d2o s ILE 97 N -0.14 2.02 -0.10 2.17 1.01 -0.03 -1.41 121.20 124.72 3d2o s ILE 97 Ca -0.01 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3d2o s ILE 97 Cb -0.01 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3d2o s ILE 97 CO -0.00 0.54 -0.22 -0.44 0.00 0.00 0.00 174.94 174.83 3d2o s SER 98 N 0.75 2.84 -0.16 3.58 0.01 -0.52 0.56 113.70 120.77 3d2o s SER 98 Ca -0.09 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.67 3d2o s SER 98 Cb -0.16 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.79 3d2o s SER 98 CO -0.00 0.13 -0.17 0.54 0.41 0.00 0.00 173.24 174.15 3d2o s VAL 99 N 0.42 1.79 -0.06 3.43 0.11 0.56 -1.92 120.40 124.73 3d2o s VAL 99 Ca -0.18 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 3d2o s VAL 99 Cb -0.17 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 3d2o s VAL 99 CO 0.08 0.50 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.78 3d2o s SER 100 N 1.31 4.16 -0.13 3.54 0.01 -0.51 -1.25 113.70 120.84 3d2o s SER 100 Ca 0.03 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 3d2o s SER 100 Cb -0.13 -0.98 0.10 0.00 0.21 0.00 0.00 66.02 65.22 3d2o s SER 100 CO -0.10 0.33 0.86 0.72 0.41 0.00 0.00 173.24 175.46 3d2o s PHE 101 N -0.65 -0.51 0.38 2.43 -0.12 -0.09 -1.02 117.98 118.39 3d2o s PHE 101 Ca 0.10 0.92 -0.26 0.00 -0.05 0.00 0.00 56.93 57.64 3d2o s PHE 101 Cb -0.11 0.42 -0.09 0.00 -0.63 0.00 0.00 43.02 42.61 3d2o s PHE 101 CO 0.01 -0.45 1.16 -1.25 -0.05 0.00 0.00 175.22 174.64 3d2o s PRO 102 N -1.01 4.17 -0.11 1.99 0.04 -1.26 -1.41 135.00 137.41 3d2o s PRO 102 Ca -0.05 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.83 3d2o s PRO 102 Cb -0.01 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.78 3d2o s PRO 102 CO 0.05 -0.22 -0.15 0.12 0.04 0.00 0.00 177.00 176.84 3d2o s PHE 103 N -1.38 1.96 -0.08 0.56 5.36 0.39 -4.75 117.98 120.04 3d2o s PHE 103 Ca 0.55 -0.94 -0.06 0.00 -0.96 0.00 0.00 56.93 55.51 3d2o s PHE 103 Cb -0.31 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 40.91 3d2o s PHE 103 CO 0.39 -0.49 0.17 -0.06 -1.46 0.00 0.00 175.22 173.76 3d2o s PHE 104 N 1.06 3.59 -0.02 10.12 0.08 -1.26 -1.04 117.98 130.51 3d2o s PHE 104 Ca -0.05 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.53 3d2o s PHE 104 Cb -0.15 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3d2o s PHE 104 CO -0.03 0.71 -0.05 0.50 -0.10 0.00 0.00 175.22 176.25 3d2o s ARG 105 N -1.28 0.62 -0.07 0.44 3.52 -0.80 -4.98 118.95 116.40 3d2o s ARG 105 Ca 0.19 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 3d2o s ARG 105 Cb -0.12 -0.62 -0.02 0.00 -1.56 0.00 0.00 34.95 32.62 3d2o s ARG 105 CO 0.08 0.03 1.09 0.21 -0.81 0.00 0.00 175.30 175.91 3d2o s LYS 106 N 0.34 4.40 0.34 5.12 2.47 -1.26 -0.83 119.74 130.32 3d2o s LYS 106 Ca -0.04 1.52 0.09 0.00 -1.56 0.00 0.00 55.97 55.98 3d2o s LYS 106 Cb -0.08 -3.54 -0.05 0.00 -1.46 0.00 0.00 37.83 32.70 3d2o s LYS 106 CO -0.00 -0.35 0.04 0.15 0.16 0.00 0.00 175.35 175.35 3d2o s LYS 107 N 2.00 2.15 -0.21 4.03 1.02 0.21 -4.95 119.74 123.98 3d2o s LYS 107 Ca 0.52 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 54.82 3d2o s LYS 107 Cb -0.21 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.14 3d2o s LYS 107 CO 0.21 0.13 -0.16 0.99 -0.92 0.00 0.00 175.35 175.60 3d2o s THR 108 N -2.50 2.21 0.42 2.17 2.01 -1.26 -0.91 115.64 117.77 3d2o s THR 108 Ca 0.35 -1.13 -0.24 0.00 0.31 0.00 0.00 61.69 60.98 3d2o s THR 108 Cb -0.01 -2.05 -0.11 0.00 0.01 0.00 0.00 72.50 70.34 3d2o s THR 108 CO 0.20 0.34 0.97 0.00 -0.69 0.00 0.00 174.62 175.45 3d2o n ALA 109 N 4.58 0.02 0.33 7.40 0.00 0.62 -4.86 120.51 128.60 3d2o n ALA 109 Ca -0.19 0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.63 3d2o n ALA 109 Cb 0.48 -2.05 0.50 0.00 0.00 0.00 0.00 19.45 18.37 3d2o n ALA 109 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3d2o h PRO 110 N 1.47 0.00 0.00 0.00 0.13 -1.91 -2.02 132.00 129.67 3d2o h PRO 110 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3d2o h PRO 110 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 3d2o h PRO 110 CO 0.56 0.00 -0.31 0.28 -0.23 0.00 0.00 178.00 178.31 3d2o n VAL 111 N -2.83 1.24 0.23 1.56 0.31 -1.26 -4.77 118.33 112.80 3d2o n VAL 111 Ca 0.02 0.32 0.08 0.00 -0.01 0.00 0.00 64.34 64.75 3d2o n VAL 111 Cb 0.36 -1.76 0.54 0.00 -0.91 0.00 0.00 33.84 32.07 3d2o n VAL 111 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3d2o h SER 112 N -0.23 0.00 -0.23 4.52 4.64 -1.93 -3.47 113.55 116.85 3d2o h SER 112 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3d2o h SER 112 Cb 0.29 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 3d2o h SER 112 CO -0.01 0.23 -0.09 0.61 -0.87 0.00 0.00 176.83 176.71 3d2o n GLY 113 N -0.47 0.66 3.77 -0.77 0.00 -0.76 -4.98 105.19 102.65 3d2o n GLY 113 Ca -0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3d2o n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d2o s ILE 114 N -1.86 2.57 0.02 -0.61 -1.09 -1.26 -4.41 121.20 114.56 3d2o s ILE 114 Ca 0.00 0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 58.96 3d2o s ILE 114 Cb 0.00 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3d2o s ILE 114 CO 0.00 0.14 0.23 -0.13 -1.23 0.00 0.00 174.94 173.94 3d2o s ARG 115 N -1.87 3.49 0.12 2.79 0.52 -1.26 -0.27 118.95 122.47 3d2o s ARG 115 Ca 0.50 -0.26 -0.23 0.00 -0.52 0.00 0.00 55.73 55.22 3d2o s ARG 115 Cb -0.41 -3.06 0.07 0.00 0.52 0.00 0.00 34.95 32.06 3d2o s ARG 115 CO 0.55 0.64 0.59 -1.54 0.02 0.00 0.00 175.30 175.56 3d2o s SER 116 N -2.02 -0.55 0.51 0.23 1.04 -0.09 -4.93 113.70 107.89 3d2o s SER 116 Ca 0.30 0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.64 3d2o s SER 116 Cb -0.13 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.49 3d2o s SER 116 CO 0.20 -0.90 0.99 -0.76 0.98 0.00 0.00 173.24 173.76 3d2o s LEU 117 N -2.50 3.64 0.08 2.42 1.43 -1.26 0.66 118.68 123.15 3d2o s LEU 117 Ca -0.01 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 3d2o s LEU 117 Cb -0.01 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 3d2o s LEU 117 CO -0.09 -0.62 -0.14 -0.22 0.23 0.00 0.00 176.35 175.50 3d2o s LEU 118 N -4.03 2.31 -0.08 1.79 2.96 -0.01 -4.10 118.68 117.52 3d2o s LEU 118 Ca 0.60 -0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3d2o s LEU 118 Cb -0.10 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 3d2o s LEU 118 CO 0.30 -0.10 0.02 1.51 -1.32 0.00 0.00 176.35 176.76 3d2o s ASP 119 N -1.94 5.35 0.11 3.68 -4.77 -1.26 -1.90 116.67 115.94 3d2o s ASP 119 Ca 0.01 0.16 0.05 0.00 -3.30 0.00 0.00 52.55 49.47 3d2o s ASP 119 Cb -0.08 -1.52 -0.04 0.00 -1.09 0.00 0.00 42.92 40.19 3d2o s ASP 119 CO 0.02 0.37 -0.13 -0.31 0.70 0.00 0.00 175.17 175.82 3d2o s TYR 120 N -0.93 1.30 -0.17 2.11 2.02 -0.21 -4.81 117.35 116.66 3d2o s TYR 120 Ca 0.14 -0.58 -0.05 0.00 -0.37 0.00 0.00 57.07 56.21 3d2o s TYR 120 Cb -0.11 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 3d2o s TYR 120 CO 0.04 0.10 0.01 -0.51 -1.57 0.00 0.00 175.55 173.62 3d2o s ASP 121 N -2.44 5.18 0.03 2.29 1.01 -1.13 -0.46 116.67 121.14 3d2o s ASP 121 Ca 0.08 -0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.35 3d2o s ASP 121 Cb -0.04 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 42.00 3d2o s ASP 121 CO 0.02 0.16 -0.17 -0.69 0.21 0.00 0.00 175.17 174.70 3d2o s VAL 122 N 0.42 1.37 -0.07 -1.27 1.01 -0.50 0.23 120.40 121.59 3d2o s VAL 122 Ca -0.00 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.03 3d2o s VAL 122 Cb -0.13 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3d2o s VAL 122 CO 0.02 0.19 -0.19 -0.44 0.00 0.00 0.00 175.10 174.67 3d2o s SER 123 N -0.93 2.47 -0.10 3.32 0.01 -0.06 -0.91 113.70 117.50 3d2o s SER 123 Ca 0.05 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3d2o s SER 123 Cb -0.08 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 3d2o s SER 123 CO 0.01 0.14 -0.16 -0.76 0.41 0.00 0.00 173.24 172.88 3d2o s LEU 124 N 0.22 2.58 -0.07 2.44 1.43 -0.38 -0.34 118.68 124.56 3d2o s LEU 124 Ca -0.10 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3d2o s LEU 124 Cb -0.15 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3d2o s LEU 124 CO 0.05 0.22 -0.23 -0.89 0.23 0.00 0.00 176.35 175.72 3d2o s THR 125 N 0.02 2.20 -0.01 5.49 2.01 0.31 -0.32 115.64 125.34 3d2o s THR 125 Ca -0.05 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3d2o s THR 125 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 3d2o s THR 125 CO 0.05 0.57 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.52 3d2o s GLY 126 N -0.07 1.46 -0.03 4.40 0.00 0.19 -1.93 107.32 111.35 3d2o s GLY 126 Ca -0.06 -1.10 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 3d2o s GLY 126 CO 0.05 -0.92 0.02 1.85 0.00 0.00 0.00 173.10 174.09 3d2o s GLU 127 N -0.93 0.12 -0.13 2.90 2.12 0.48 -0.85 118.70 122.40 3d2o s GLU 127 Ca 0.12 0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.58 3d2o s GLU 127 Cb -0.10 -0.40 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 3d2o s GLU 127 CO 0.02 -0.18 0.00 -1.64 -0.54 0.00 0.00 175.26 172.92 3d2o s MET 128 N 1.22 3.42 -0.27 4.30 -1.94 -0.23 -0.04 119.30 125.76 3d2o s MET 128 Ca -0.07 -0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.46 3d2o s MET 128 Cb -0.13 -2.92 0.09 0.00 2.01 0.00 0.00 34.83 33.88 3d2o s MET 128 CO -0.03 0.46 0.09 0.15 -0.01 0.00 0.00 175.02 175.69 3d2o s LYS 129 N -0.22 0.54 -1.13 2.03 1.02 0.24 -1.57 119.74 120.66 3d2o s LYS 129 Ca 0.05 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.21 3d2o s LYS 129 Cb -0.12 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 3d2o s LYS 129 CO 0.02 -0.90 0.86 -0.25 -0.92 0.00 0.00 175.35 174.16 3d2o n ASP 130 N 5.02 -5.06 0.00 2.83 10.43 -0.29 -1.79 116.55 127.69 3d2o n ASP 130 Ca -0.05 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3d2o n ASP 130 Cb 0.43 -4.50 0.00 0.00 1.84 0.00 0.00 41.12 38.90 3d2o n ASP 130 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d2o n GLY 131 N -1.41 0.02 3.76 0.44 0.00 -1.26 -4.99 105.19 101.76 3d2o n GLY 131 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3d2o n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2o s ALA 132 N -1.05 3.61 -0.03 4.61 0.00 -0.74 -5.10 121.76 123.05 3d2o s ALA 132 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 3d2o s ALA 132 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3d2o s ALA 132 CO 0.00 0.20 0.22 -0.47 0.00 0.00 0.00 175.76 175.71 3d2o s TYR 133 N 0.03 3.59 0.04 0.00 5.04 -1.26 -0.59 117.35 124.19 3d2o s TYR 133 Ca 0.21 0.55 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 3d2o s TYR 133 Cb -0.14 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.18 3d2o s TYR 133 CO 0.08 0.66 -0.06 0.20 -1.34 0.00 0.00 175.55 175.09 3d2o s GLY 134 N -1.50 0.43 0.04 8.97 0.00 0.95 -5.00 107.32 111.21 3d2o s GLY 134 Ca 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.15 3d2o s GLY 134 CO 0.13 -0.87 -0.04 -2.38 0.00 0.00 0.00 173.10 169.94 3d2o s HIS 135 N -1.87 0.47 0.17 1.90 -3.43 -1.26 -0.39 115.29 110.87 3d2o s HIS 135 Ca -0.08 -0.77 -0.10 0.00 -0.80 0.00 0.00 55.06 53.31 3d2o s HIS 135 Cb -0.07 -0.32 -0.00 0.00 -1.43 0.00 0.00 32.58 30.76 3d2o s HIS 135 CO -0.02 -0.25 0.31 -1.54 -2.00 0.00 0.00 174.74 171.25 3d2o s SER 136 N -2.18 0.00 0.09 7.38 1.04 -0.81 -3.94 113.70 115.27 3d2o s SER 136 Ca -0.04 -0.81 -0.06 0.00 0.48 0.00 0.00 55.95 55.52 3d2o s SER 136 Cb -0.02 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3d2o s SER 136 CO -0.05 -0.91 0.13 0.00 0.98 0.00 0.00 173.24 173.39 3d2o s MET 137 N -3.95 0.81 -0.04 4.02 0.23 -0.36 -0.53 119.30 119.48 3d2o s MET 137 Ca 0.16 -1.08 -0.03 0.00 -1.03 0.00 0.00 55.69 53.71 3d2o s MET 137 Cb 0.03 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 33.65 3d2o s MET 137 CO -0.01 -0.24 0.10 0.21 -2.03 0.00 0.00 175.02 173.05 3d2o s LYS 138 N -3.90 0.09 -0.03 3.16 2.20 0.54 -1.00 119.74 120.79 3d2o s LYS 138 Ca 0.08 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.86 3d2o s LYS 138 Cb 0.06 -0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 3d2o s LYS 138 CO -0.09 -0.06 0.06 0.08 -0.36 0.00 0.00 175.35 174.99 3d2o s VAL 139 N 0.36 -0.07 -0.25 4.02 1.01 0.01 -0.88 120.40 124.60 3d2o s VAL 139 Ca -0.03 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 3d2o s VAL 139 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3d2o s VAL 139 CO -0.01 0.10 0.13 -0.32 0.00 0.00 0.00 175.10 174.99 3d2o s MET 140 N 1.22 3.88 -0.23 2.72 1.75 0.13 -0.67 119.30 128.11 3d2o s MET 140 Ca -0.08 -0.36 -0.01 0.00 -1.25 0.00 0.00 55.69 53.99 3d2o s MET 140 Cb -0.13 -3.48 0.02 0.00 2.84 0.00 0.00 34.83 34.08 3d2o s MET 140 CO -0.04 -0.09 -0.10 0.42 -0.65 0.00 0.00 175.02 174.56 3d2o s ILE 141 N 1.44 2.69 0.07 10.11 1.09 0.14 -2.83 121.20 133.91 3d2o s ILE 141 Ca 0.06 -0.95 -0.21 0.00 -1.10 0.00 0.00 60.65 58.45 3d2o s ILE 141 Cb -0.15 -2.30 -0.07 0.00 -1.06 0.00 0.00 42.46 38.89 3d2o s ILE 141 CO 0.06 0.31 0.64 -2.16 -0.10 0.00 0.00 174.94 173.69 3d2o s PRO 142 N 1.33 4.33 0.24 2.79 0.04 -1.26 -1.17 135.00 141.30 3d2o s PRO 142 Ca 0.02 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 3d2o s PRO 142 Cb -0.15 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 3d2o s PRO 142 CO -0.07 0.53 0.31 0.14 0.04 0.00 0.00 177.00 177.95 3d2o s VAL 143 N -0.80 0.00 -0.11 -0.36 -7.23 -0.50 -4.39 120.40 107.03 3d2o s VAL 143 Ca 0.32 -1.74 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 3d2o s VAL 143 Cb -0.20 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3d2o s VAL 143 CO 0.20 0.00 0.49 -0.89 -0.31 0.00 0.00 175.10 174.59 3d2o s THR 144 N -3.93 5.16 0.01 5.32 2.01 0.31 -0.48 115.64 124.04 3d2o s THR 144 Ca 0.32 0.98 0.06 0.00 0.31 0.00 0.00 61.69 63.36 3d2o s THR 144 Cb 0.03 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 3d2o s THR 144 CO 0.13 0.34 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.29 3d2o s SER 145 N 0.51 3.88 -0.01 3.53 1.04 -0.45 -2.96 113.70 119.24 3d2o s SER 145 Ca 0.26 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3d2o s SER 145 Cb -0.15 -0.69 -0.00 0.00 0.10 0.00 0.00 66.02 65.27 3d2o s SER 145 CO 0.11 0.29 -0.07 -0.22 0.98 0.00 0.00 173.24 174.33 3d2o s LEU 146 N -1.20 1.88 -0.28 2.42 0.20 -1.26 -1.50 118.68 118.94 3d2o s LEU 146 Ca 0.14 -0.13 -0.24 0.00 0.69 0.00 0.00 54.13 54.58 3d2o s LEU 146 Cb -0.11 -0.39 -0.00 0.00 -0.43 0.00 0.00 46.19 45.27 3d2o s LEU 146 CO 0.04 0.06 0.83 0.00 -0.29 0.00 0.00 176.35 176.99 3d2o h PRO 148 N 7.92 0.00 -0.11 0.00 0.11 -1.85 -1.92 132.00 136.15 3d2o h PRO 148 Ca -0.23 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.79 3d2o h PRO 148 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d2o h PRO 148 CO 0.89 0.16 -0.26 0.00 -0.21 0.00 0.00 178.00 178.58 3d2o h SER 150 N -0.05 -0.55 0.06 0.00 0.87 -1.88 -1.41 113.55 110.58 3d2o h SER 150 Ca -0.00 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3d2o h SER 150 Cb 0.86 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 3d2o h SER 150 CO 0.06 -0.23 -0.30 0.50 -0.53 0.00 0.00 176.83 176.32 3d2o h LYS 151 N -0.24 -0.47 -0.62 2.24 3.64 -1.37 -2.46 116.57 117.28 3d2o h LYS 151 Ca 0.09 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3d2o h LYS 151 Cb 0.37 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 3d2o h LYS 151 CO -0.24 -0.31 0.34 1.49 -2.27 0.00 0.00 179.45 178.45 3d2o h GLU 152 N -0.49 0.61 0.00 1.90 4.81 -1.04 -2.87 114.58 117.50 3d2o h GLU 152 Ca 0.05 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3d2o h GLU 152 Cb 0.55 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3d2o h GLU 152 CO -0.22 0.40 -0.47 -0.84 -0.73 0.00 0.00 179.01 177.15 3d2o h ILE 153 N 0.63 0.25 -3.12 2.32 3.07 -1.29 -3.47 117.51 115.91 3d2o h ILE 153 Ca 0.27 -1.38 -0.59 0.00 1.55 0.00 0.00 64.86 64.71 3d2o h ILE 153 Cb 0.16 2.00 -0.05 0.00 -0.27 0.00 0.00 36.82 38.66 3d2o h ILE 153 CO -0.17 0.14 -0.18 -0.44 -1.05 0.00 0.00 178.15 176.45 3d2o s SER 154 N -6.05 6.77 0.54 2.16 0.01 -0.93 -4.97 113.70 111.24 3d2o s SER 154 Ca 0.04 0.95 0.33 0.00 1.31 0.00 0.00 55.95 58.57 3d2o s SER 154 Cb 0.07 -2.24 1.26 0.00 0.21 0.00 0.00 66.02 65.32 3d2o s SER 154 CO 0.73 0.23 1.95 0.06 0.41 0.00 0.00 173.24 176.61 3d2o h GLN 155 N 4.13 0.00 -2.62 12.44 3.07 -1.90 -3.45 115.11 126.78 3d2o h GLN 155 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.24 3d2o h GLN 155 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.62 3d2o h GLN 155 CO 0.64 0.00 0.27 1.52 0.09 0.00 0.00 178.83 181.35 3d2o s TYR 156 N -3.62 -0.52 0.06 0.06 -0.85 -1.26 -5.16 117.35 106.05 3d2o s TYR 156 Ca 0.02 0.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.04 3d2o s TYR 156 Cb 0.09 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3d2o s TYR 156 CO 0.56 -0.73 0.00 0.41 -1.52 0.00 0.00 175.55 174.27 3d2o n GLY 157 N -0.06 -2.42 3.63 5.49 0.00 -1.26 -5.03 105.19 105.55 3d2o n GLY 157 Ca -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 3d2o n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2o s ALA 158 N -2.72 -2.01 0.48 4.61 0.00 -1.26 -4.27 121.76 116.59 3d2o s ALA 158 Ca 0.00 2.37 -0.22 0.00 0.00 0.00 0.00 51.96 54.10 3d2o s ALA 158 Cb 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 23.12 21.46 3d2o s ALA 158 CO 0.00 -0.57 1.20 -3.38 0.00 0.00 0.00 175.76 173.01 3d2o s HIS 159 N 2.03 2.75 0.15 0.00 -3.43 -1.26 -4.81 115.29 110.73 3d2o s HIS 159 Ca -0.08 1.51 -0.13 0.00 -0.80 0.00 0.00 55.06 55.55 3d2o s HIS 159 Cb -0.07 -3.46 0.01 0.00 -1.43 0.00 0.00 32.58 27.64 3d2o s HIS 159 CO -0.19 -1.78 0.37 0.54 -2.00 0.00 0.00 174.74 171.68 3d2o s ASN 160 N -1.31 -0.11 0.05 7.38 4.22 -1.26 -1.27 114.94 122.64 3d2o s ASN 160 Ca 0.66 -0.59 -0.27 0.00 -2.14 0.00 0.00 52.86 50.52 3d2o s ASN 160 Cb -0.31 0.48 0.09 0.00 1.28 0.00 0.00 41.25 42.79 3d2o s ASN 160 CO 0.37 -0.91 0.83 0.00 -2.04 0.00 0.00 177.10 175.35 3d2o s GLN 161 N -3.88 0.96 0.50 3.55 0.00 -0.56 -4.32 119.66 115.90 3d2o s GLN 161 Ca 0.10 -0.38 -0.21 0.00 -0.00 0.00 0.00 55.36 54.87 3d2o s GLN 161 Cb 0.02 0.43 -0.07 0.00 0.00 0.00 0.00 33.01 33.39 3d2o s GLN 161 CO -0.05 -0.42 1.14 0.50 0.00 0.00 0.00 175.29 176.45 3d2o s ARG 162 N -3.28 3.60 0.02 9.60 3.52 -1.26 -1.34 118.95 129.81 3d2o s ARG 162 Ca 0.05 1.67 0.02 0.00 -0.13 0.00 0.00 55.73 57.34 3d2o s ARG 162 Cb -0.01 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.15 3d2o s ARG 162 CO -0.09 -0.66 -0.06 0.45 -0.81 0.00 0.00 175.30 174.13 3d2o s SER 163 N -1.58 0.67 -0.29 -2.12 0.15 0.36 -2.04 113.70 108.85 3d2o s SER 163 Ca 0.68 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 3d2o s SER 163 Cb -0.26 0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.09 3d2o s SER 163 CO 0.30 -0.11 0.03 -1.00 1.20 0.00 0.00 173.24 173.66 3d2o s HIS 164 N -0.87 3.18 -0.25 3.44 3.76 0.64 -1.40 115.29 123.79 3d2o s HIS 164 Ca -0.06 -1.47 -0.08 0.00 -0.15 0.00 0.00 55.06 53.30 3d2o s HIS 164 Cb -0.07 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 3d2o s HIS 164 CO 0.00 -0.71 0.10 0.08 -0.85 0.00 0.00 174.74 173.36 3d2o s VAL 165 N 1.36 4.64 -0.17 -0.90 1.01 -0.32 -1.06 120.40 124.97 3d2o s VAL 165 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3d2o s VAL 165 Cb -0.18 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3d2o s VAL 165 CO -0.00 0.34 -0.13 -0.89 0.00 0.00 0.00 175.10 174.42 3d2o s THR 166 N 1.44 2.81 -0.21 3.92 2.01 0.10 0.25 115.64 125.95 3d2o s THR 166 Ca 0.06 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 3d2o s THR 166 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.17 3d2o s THR 166 CO 0.05 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 3d2o s VAL 167 N 0.99 2.67 -0.14 3.82 1.01 0.16 -0.79 120.40 128.12 3d2o s VAL 167 Ca -0.02 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3d2o s VAL 167 Cb -0.15 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3d2o s VAL 167 CO -0.02 0.40 0.03 -0.44 0.00 0.00 0.00 175.10 175.07 3d2o s SER 168 N 1.35 5.43 0.09 3.32 0.01 -0.17 -0.81 113.70 122.92 3d2o s SER 168 Ca 0.04 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.33 3d2o s SER 168 Cb -0.14 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 3d2o s SER 168 CO -0.08 0.27 0.16 -1.48 0.41 0.00 0.00 173.24 172.52 3d2o s LEU 169 N -0.19 1.55 -0.03 2.44 0.05 -0.17 -1.09 118.68 121.23 3d2o s LEU 169 Ca 0.06 -0.77 0.03 0.00 0.05 0.00 0.00 54.13 53.51 3d2o s LEU 169 Cb -0.12 0.89 0.00 0.00 -2.05 0.00 0.00 46.19 44.91 3d2o s LEU 169 CO 0.02 -0.73 -0.11 0.42 -0.55 0.00 0.00 176.35 175.40 3d2o s THR 170 N -3.89 0.92 0.29 5.48 -4.23 -0.85 -1.23 115.64 112.13 3d2o s THR 170 Ca 0.08 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.19 3d2o s THR 170 Cb 0.05 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 3d2o s THR 170 CO -0.09 0.28 0.27 -0.94 -0.54 0.00 0.00 174.62 173.61 3d2o s SER 171 N 0.23 1.05 -0.25 3.99 1.04 -1.25 -0.74 113.70 117.78 3d2o s SER 171 Ca -0.05 -1.58 -0.15 0.00 0.48 0.00 0.00 55.95 54.65 3d2o s SER 171 Cb -0.10 0.52 -0.15 0.00 0.10 0.00 0.00 66.02 66.39 3d2o s SER 171 CO 0.01 -1.04 -0.11 0.47 0.98 0.00 0.00 173.24 173.55 3d2o n ASP 172 N -1.11 1.93 -4.81 7.02 8.00 -1.23 -4.56 116.55 121.78 3d2o n ASP 172 Ca 0.05 0.33 -0.33 0.00 0.71 0.00 0.00 54.79 55.55 3d2o n ASP 172 Cb 0.63 -0.85 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 3d2o n ASP 172 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d2o s ALA 173 N -2.46 2.94 0.11 2.24 0.00 -1.26 -4.98 121.76 118.35 3d2o s ALA 173 Ca -0.34 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 3d2o s ALA 173 Cb 0.11 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 3d2o s ALA 173 CO 0.55 -0.19 1.74 -2.00 0.00 0.00 0.00 175.76 175.85 3d2o s GLU 174 N -3.36 4.16 -0.23 0.00 2.12 -1.26 -4.96 118.70 115.17 3d2o s GLU 174 Ca 0.64 2.49 -0.07 0.00 0.36 0.00 0.00 54.97 58.39 3d2o s GLU 174 Cb -0.13 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3d2o s GLU 174 CO 0.20 -0.78 0.07 0.08 -0.54 0.00 0.00 175.26 174.28 3d2o s VAL 175 N 2.48 4.41 0.48 3.70 1.01 -1.26 -5.10 120.40 126.12 3d2o s VAL 175 Ca 0.77 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 3d2o s VAL 175 Cb -0.44 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 3d2o s VAL 175 CO 0.34 0.37 1.06 -0.83 0.00 0.00 0.00 175.10 176.04 3d2o s GLY 176 N 1.28 2.57 0.27 4.51 0.00 -1.26 -4.94 107.32 109.76 3d2o s GLY 176 Ca 0.05 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.45 3d2o s GLY 176 CO 0.03 1.02 1.75 -2.22 0.00 0.00 0.00 173.10 173.69 3d2o h ILE 177 N 1.60 0.68 0.00 0.90 2.04 -2.00 -2.23 117.51 118.50 3d2o h ILE 177 Ca -0.49 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 3d2o h ILE 177 Cb 1.23 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3d2o h ILE 177 CO 0.59 0.11 -0.44 1.05 0.00 0.00 0.00 178.15 179.46 3d2o h GLU 178 N 0.60 0.00 -0.60 2.37 9.09 -1.99 -1.61 114.58 122.43 3d2o h GLU 178 Ca 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.88 3d2o h GLU 178 Cb 0.75 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.82 3d2o h GLU 178 CO -0.39 0.44 0.30 0.93 0.05 0.00 0.00 179.01 180.33 3d2o h GLU 179 N 0.00 0.86 -0.37 1.06 5.08 -1.78 -0.62 114.58 118.82 3d2o h GLU 179 Ca -0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3d2o h GLU 179 Cb 0.93 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3d2o h GLU 179 CO 0.06 0.69 -0.05 0.28 -1.00 0.00 0.00 179.01 178.98 3d2o h VAL 180 N 0.82 1.27 -0.50 3.13 2.07 -1.17 -1.70 116.25 120.18 3d2o h VAL 180 Ca 0.21 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3d2o h VAL 180 Cb 0.10 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3d2o h VAL 180 CO -0.03 0.36 0.16 0.40 0.02 0.00 0.00 177.57 178.49 3d2o h ILE 181 N 0.48 0.81 -0.60 4.57 2.04 -1.16 -2.74 117.51 120.91 3d2o h ILE 181 Ca 0.10 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3d2o h ILE 181 Cb 0.55 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3d2o h ILE 181 CO 0.03 0.06 0.08 0.44 0.00 0.00 0.00 178.15 178.76 3d2o h ASP 182 N 0.33 0.97 -0.82 1.72 3.32 -0.83 0.23 116.42 121.34 3d2o h ASP 182 Ca 0.24 -0.27 0.16 0.00 0.02 0.00 0.00 57.03 57.19 3d2o h ASP 182 Cb 0.27 -0.26 -0.10 0.00 0.22 0.00 0.00 39.33 39.47 3d2o h ASP 182 CO -0.26 0.99 0.37 1.88 -1.72 0.00 0.00 179.24 180.50 3d2o h TYR 183 N 0.91 0.63 0.00 4.55 0.05 -1.05 -2.02 116.97 120.04 3d2o h TYR 183 Ca 0.18 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 3d2o h TYR 183 Cb 0.44 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3d2o h TYR 183 CO 0.03 0.08 -0.00 0.28 -1.05 0.00 0.00 178.16 177.50 3d2o h VAL 184 N 0.50 1.59 -0.37 -2.88 2.07 -1.16 -3.29 116.25 112.71 3d2o h VAL 184 Ca 0.46 -2.16 0.04 0.00 0.82 0.00 0.00 66.70 65.87 3d2o h VAL 184 Cb 0.73 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 3d2o h VAL 184 CO -0.42 0.53 0.25 -0.33 0.02 0.00 0.00 177.57 177.62 3d2o h GLU 185 N -0.98 0.32 -0.07 1.57 5.08 -0.90 0.75 114.58 120.35 3d2o h GLU 185 Ca -0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3d2o h GLU 185 Cb 0.87 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3d2o h GLU 185 CO 0.00 0.21 -0.26 1.15 -1.00 0.00 0.00 179.01 179.11 3d2o h THR 186 N 0.33 1.22 0.00 1.13 2.02 -1.48 -2.97 112.91 113.16 3d2o h THR 186 Ca 0.16 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3d2o h THR 186 Cb 0.21 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3d2o h THR 186 CO -0.03 0.30 -0.92 0.00 0.37 0.00 0.00 175.52 175.24 3d2o n GLN 187 N -4.19 0.22 -2.26 6.66 1.13 0.21 -4.97 117.38 114.18 3d2o n GLN 187 Ca -0.02 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.69 3d2o n GLN 187 Cb 0.34 -1.58 -0.00 0.00 0.11 0.00 0.00 30.24 29.11 3d2o n GLN 187 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d2o s ALA 188 N -3.15 2.74 0.25 -1.58 0.00 -0.89 -4.92 121.76 114.22 3d2o s ALA 188 Ca 0.05 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 3d2o s ALA 188 Cb 0.15 -3.36 0.48 0.00 0.00 0.00 0.00 23.12 20.38 3d2o s ALA 188 CO 0.79 -0.75 1.63 0.77 0.00 0.00 0.00 175.76 178.20 3d2o h SER 189 N 1.34 -0.34 -4.37 0.00 0.02 -1.71 -3.42 113.55 105.07 3d2o h SER 189 Ca -0.50 0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.57 3d2o h SER 189 Cb 1.26 0.35 -0.21 0.00 0.14 0.00 0.00 62.40 63.94 3d2o h SER 189 CO 0.57 -0.19 -0.04 0.00 -1.14 0.00 0.00 176.83 176.03 3d2o s GLN 191 N -0.34 2.35 0.22 0.00 -2.07 -1.26 -0.53 119.66 118.03 3d2o s GLN 191 Ca -0.05 0.25 -0.01 0.00 -1.82 0.00 0.00 55.36 53.73 3d2o s GLN 191 Cb -0.03 -1.99 -0.04 0.00 -1.09 0.00 0.00 33.01 29.86 3d2o s GLN 191 CO 0.04 -1.35 0.41 -0.51 -1.32 0.00 0.00 175.29 172.56 3d2o s LEU 192 N -5.48 4.20 -0.00 2.60 1.43 -1.26 -4.72 118.68 115.45 3d2o s LEU 192 Ca 0.60 0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 54.08 3d2o s LEU 192 Cb -0.11 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.91 3d2o s LEU 192 CO 0.50 -0.07 0.07 -0.31 0.23 0.00 0.00 176.35 176.77 3d2o s TYR 193 N -1.92 0.07 0.06 0.29 2.02 -1.26 -5.01 117.35 111.61 3d2o s TYR 193 Ca 0.39 -0.16 -0.08 0.00 -0.37 0.00 0.00 57.07 56.85 3d2o s TYR 193 Cb -0.11 -0.07 -0.31 0.00 -0.40 0.00 0.00 41.96 41.07 3d2o s TYR 193 CO 0.29 -0.19 1.09 0.78 -1.57 0.00 0.00 175.55 175.95 3d2o h GLY 194 N 4.86 0.40 -6.67 0.71 0.00 -1.89 -3.44 103.07 97.05 3d2o h GLY 194 Ca -0.30 -1.03 -0.67 0.00 0.00 0.00 0.00 47.33 45.33 3d2o h GLY 194 CO 0.42 0.91 -0.82 -2.27 0.00 0.00 0.00 176.54 174.78 3d2o s LEU 195 N -7.28 2.64 -0.06 3.11 0.20 -1.26 -5.07 118.68 110.96 3d2o s LEU 195 Ca -0.06 -0.82 0.00 0.00 0.69 0.00 0.00 54.13 53.95 3d2o s LEU 195 Cb 0.06 -1.55 0.02 0.00 -0.43 0.00 0.00 46.19 44.30 3d2o s LEU 195 CO 0.90 -0.06 -0.04 -0.76 -0.29 0.00 0.00 176.35 176.10 3d2o s LEU 196 N 1.27 1.09 0.75 -0.68 1.43 -1.26 -4.69 118.68 116.59 3d2o s LEU 196 Ca 0.01 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3d2o s LEU 196 Cb -0.15 -0.52 0.08 0.00 0.03 0.00 0.00 46.19 45.62 3d2o s LEU 196 CO -0.09 -0.10 1.07 -0.54 0.23 0.00 0.00 176.35 176.92 3d2o s LYS 197 N 1.35 2.02 0.21 1.70 -0.14 -1.26 -4.79 119.74 118.82 3d2o s LYS 197 Ca -0.04 -0.21 -0.10 0.00 -1.36 0.00 0.00 55.97 54.27 3d2o s LYS 197 Cb -0.13 -2.10 0.23 0.00 -1.68 0.00 0.00 37.83 34.14 3d2o s LYS 197 CO -0.03 -1.41 1.81 -0.09 -0.76 0.00 0.00 175.35 174.87 3d2o h ARG 198 N -0.78 0.67 0.00 1.68 2.43 -2.01 0.45 114.38 116.83 3d2o h ARG 198 Ca -0.44 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3d2o h ARG 198 Cb 1.31 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3d2o h ARG 198 CO 0.60 0.44 -0.24 -1.00 -1.51 0.00 0.00 179.97 178.26 3d2o h PRO 199 N 0.69 0.00 -0.22 0.20 0.13 -2.00 -1.22 132.00 129.58 3d2o h PRO 199 Ca 0.29 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.27 3d2o h PRO 199 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 3d2o h PRO 199 CO -0.17 0.24 -0.45 -0.44 -0.23 0.00 0.00 178.00 176.95 3d2o h ASP 200 N 0.00 0.78 -0.55 1.44 3.32 -0.89 -1.82 116.42 118.71 3d2o h ASP 200 Ca -0.00 -0.55 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 3d2o h ASP 200 Cb 0.46 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3d2o h ASP 200 CO 0.03 1.18 0.26 -0.08 -1.72 0.00 0.00 179.24 178.91 3d2o h GLU 201 N 0.41 0.79 -0.31 3.56 4.81 -0.04 -1.69 114.58 122.10 3d2o h GLU 201 Ca 0.01 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3d2o h GLU 201 Cb 1.05 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 3d2o h GLU 201 CO 0.10 0.65 0.01 -0.22 -0.73 0.00 0.00 179.01 178.83 3d2o h LYS 202 N 0.74 0.11 -0.29 1.92 3.64 -1.17 -1.55 116.57 119.96 3d2o h LYS 202 Ca 0.19 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 3d2o h LYS 202 Cb 0.12 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3d2o h LYS 202 CO -0.02 0.07 0.01 -0.92 -2.27 0.00 0.00 179.45 176.31 3d2o h TYR 203 N 0.11 0.00 -0.40 1.91 3.20 -0.99 -2.37 116.97 118.43 3d2o h TYR 203 Ca 0.15 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3d2o h TYR 203 Cb 0.19 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3d2o h TYR 203 CO -0.22 -0.04 -0.12 0.28 -1.64 0.00 0.00 178.16 176.43 3d2o h VAL 204 N 0.10 1.28 0.17 1.81 2.07 -1.19 0.12 116.25 120.60 3d2o h VAL 204 Ca 0.14 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3d2o h VAL 204 Cb 0.18 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3d2o h VAL 204 CO -0.22 0.41 -0.13 0.74 0.02 0.00 0.00 177.57 178.39 3d2o h THR 205 N 0.59 0.72 -0.41 2.57 2.02 -1.21 -1.75 112.91 115.44 3d2o h THR 205 Ca 0.10 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 3d2o h THR 205 Cb 0.65 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3d2o h THR 205 CO 0.04 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.61 3d2o h GLU 206 N -0.30 0.73 0.08 6.66 5.08 -1.37 -2.40 114.58 123.06 3d2o h GLU 206 Ca -0.01 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3d2o h GLU 206 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3d2o h GLU 206 CO -0.01 0.81 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.47 3d2o h LYS 207 N 0.56 -0.23 -0.37 2.33 1.63 -0.73 0.16 116.57 119.91 3d2o h LYS 207 Ca 0.12 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 3d2o h LYS 207 Cb 0.48 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 3d2o h LYS 207 CO 0.02 -0.15 0.02 0.00 -3.45 0.00 0.00 179.45 175.89 3d2o h ALA 208 N 0.65 0.35 -0.11 5.00 0.00 -1.32 -0.87 119.26 122.97 3d2o h ALA 208 Ca 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3d2o h ALA 208 Cb 0.25 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3d2o h ALA 208 CO -0.06 -0.38 -0.07 -0.92 0.00 0.00 0.00 179.25 177.82 3d2o h TYR 209 N 0.13 0.16 0.00 0.00 3.20 -1.18 0.37 116.97 119.64 3d2o h TYR 209 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3d2o h TYR 209 Cb 0.24 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3d2o h TYR 209 CO -0.23 0.23 0.00 0.39 -1.64 0.00 0.00 178.16 176.91 3d2o n GLU 210 N -4.37 0.22 -2.91 1.82 1.02 0.02 -4.30 120.64 112.14 3d2o n GLU 210 Ca -0.01 0.21 -0.20 0.00 -0.02 0.00 0.00 57.16 57.14 3d2o n GLU 210 Cb 0.20 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 3d2o n GLU 210 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3d2o n ASN 211 N -2.16 2.52 -4.77 1.62 4.13 0.10 -5.08 115.26 111.63 3d2o n ASN 211 Ca 0.05 -3.24 -0.39 0.00 1.68 0.00 0.00 54.58 52.69 3d2o n ASN 211 Cb 0.40 -0.56 -0.00 0.00 -1.54 0.00 0.00 39.78 38.07 3d2o n ASN 211 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3d2o s PRO 212 N -3.02 3.84 -0.11 3.52 0.04 -1.11 -4.19 135.00 133.98 3d2o s PRO 212 Ca 0.41 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 3d2o s PRO 212 Cb 0.36 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 32.34 3d2o s PRO 212 CO -0.09 -0.56 0.26 0.15 0.04 0.00 0.00 177.00 176.80 3d2o s LYS 213 N -2.44 0.25 0.89 4.56 1.02 -0.35 -4.73 119.74 118.94 3d2o s LYS 213 Ca 0.60 0.48 -0.11 0.00 0.02 0.00 0.00 55.97 56.97 3d2o s LYS 213 Cb -0.35 -0.03 0.13 0.00 -0.52 0.00 0.00 37.83 37.07 3d2o s LYS 213 CO 0.43 -0.12 1.11 -0.06 -0.92 0.00 0.00 175.35 175.80 3d2o s PHE 214 N 0.89 1.95 0.32 3.18 0.08 -1.26 -4.19 117.98 118.95 3d2o s PHE 214 Ca -0.06 1.61 0.01 0.00 0.12 0.00 0.00 56.93 58.62 3d2o s PHE 214 Cb -0.07 -3.21 0.56 0.00 -0.57 0.00 0.00 43.02 39.72 3d2o s PHE 214 CO -0.06 -2.57 1.94 -0.24 -0.10 0.00 0.00 175.22 174.19 3d2o h VAL 215 N -1.69 1.09 -0.05 -0.44 3.04 -1.96 -0.46 116.25 115.78 3d2o h VAL 215 Ca -0.46 -0.34 0.03 0.00 -1.01 0.00 0.00 66.70 64.93 3d2o h VAL 215 Cb 1.26 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.53 3d2o h VAL 215 CO 0.47 0.18 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.71 3d2o h GLU 216 N 0.98 -0.23 -0.18 4.17 3.07 -1.94 -1.79 114.58 118.65 3d2o h GLU 216 Ca 0.35 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.25 3d2o h GLU 216 Cb 0.13 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3d2o h GLU 216 CO -0.12 -0.16 0.04 -0.44 -1.40 0.00 0.00 179.01 176.93 3d2o h ASP 217 N -0.24 0.01 -0.16 1.42 3.32 -1.82 -1.72 116.42 117.23 3d2o h ASP 217 Ca 0.07 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3d2o h ASP 217 Cb 0.34 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3d2o h ASP 217 CO -0.19 0.03 0.03 -0.03 -1.72 0.00 0.00 179.24 177.36 3d2o h MET 218 N 0.11 0.09 -0.38 3.56 4.05 -0.87 0.72 114.93 122.20 3d2o h MET 218 Ca 0.08 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 3d2o h MET 218 Cb 0.07 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3d2o h MET 218 CO -0.11 0.06 -0.24 -0.39 0.23 0.00 0.00 176.91 176.46 3d2o h VAL 219 N 0.09 1.27 -0.44 -5.77 -1.51 -1.20 -1.51 116.25 107.19 3d2o h VAL 219 Ca 0.07 -1.36 -0.04 0.00 -1.23 0.00 0.00 66.70 64.14 3d2o h VAL 219 Cb 0.07 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 3d2o h VAL 219 CO -0.10 0.45 0.12 0.03 -1.23 0.00 0.00 177.57 176.84 3d2o h ARG 220 N 0.67 0.70 -0.19 5.19 3.08 -1.20 -0.37 114.38 122.25 3d2o h ARG 220 Ca 0.09 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3d2o h ARG 220 Cb 0.76 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3d2o h ARG 220 CO 0.06 0.69 0.09 -0.44 -1.07 0.00 0.00 179.97 179.30 3d2o h ASP 221 N 0.57 0.25 -0.44 7.04 3.32 -0.70 -1.68 116.42 124.79 3d2o h ASP 221 Ca 0.14 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3d2o h ASP 221 Cb 0.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3d2o h ASP 221 CO -0.00 0.32 0.18 0.58 -1.72 0.00 0.00 179.24 178.60 3d2o h VAL 222 N 0.17 1.20 -0.85 -1.35 2.07 -1.28 -3.03 116.25 113.18 3d2o h VAL 222 Ca 0.06 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3d2o h VAL 222 Cb 0.14 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3d2o h VAL 222 CO -0.01 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.31 3d2o h ALA 223 N 1.02 1.28 -0.51 1.67 0.00 -0.87 -2.06 119.26 119.79 3d2o h ALA 223 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3d2o h ALA 223 Cb 0.19 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3d2o h ALA 223 CO -0.01 0.61 0.33 1.15 0.00 0.00 0.00 179.25 181.32 3d2o h THR 224 N 1.18 1.11 -0.95 0.00 2.02 -1.32 -0.65 112.91 114.29 3d2o h THR 224 Ca 0.30 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3d2o h THR 224 Cb -0.03 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 3d2o h THR 224 CO -0.06 0.12 0.62 0.28 0.37 0.00 0.00 175.52 176.86 3d2o h SER 225 N 0.67 1.06 -0.08 4.18 0.02 -1.27 -2.41 113.55 115.71 3d2o h SER 225 Ca 0.19 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.89 3d2o h SER 225 Cb -0.05 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.26 3d2o h SER 225 CO -0.06 0.74 -0.86 -0.07 -1.14 0.00 0.00 176.83 175.44 3d2o h LEU 226 N 1.23 0.92 -0.84 5.07 3.38 -1.15 -3.17 115.31 120.75 3d2o h LEU 226 Ca 0.37 -0.64 0.07 0.00 0.09 0.00 0.00 57.88 57.77 3d2o h LEU 226 Cb -0.05 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.36 3d2o h LEU 226 CO -0.11 1.44 0.51 0.40 0.09 0.00 0.00 178.44 180.77 3d2o h ILE 227 N 0.49 0.99 0.00 1.22 2.04 -0.96 -0.88 117.51 120.41 3d2o h ILE 227 Ca -0.08 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3d2o h ILE 227 Cb 1.49 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3d2o h ILE 227 CO 0.17 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.49 3d2o n ALA 228 N -2.36 1.25 -2.57 1.87 0.00 -0.92 -4.51 120.51 113.27 3d2o n ALA 228 Ca 0.13 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 3d2o n ALA 228 Cb 0.21 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 3d2o n ALA 228 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d2o s ASP 229 N -2.92 6.00 0.02 0.00 -1.08 -0.34 -4.94 116.67 113.41 3d2o s ASP 229 Ca 0.03 -0.88 0.29 0.00 -0.52 0.00 0.00 52.55 51.47 3d2o s ASP 229 Cb 0.03 -2.12 1.16 0.00 -1.46 0.00 0.00 42.92 40.53 3d2o s ASP 229 CO 0.08 -0.41 1.89 0.29 0.52 0.00 0.00 175.17 177.54 3d2o n LYS 230 N 5.11 0.03 0.27 4.34 4.76 -1.26 -2.37 118.16 129.04 3d2o n LYS 230 Ca -0.11 0.02 0.15 0.00 -2.87 0.00 0.00 58.31 55.50 3d2o n LYS 230 Cb 0.47 -1.53 0.75 0.00 -1.84 0.00 0.00 35.03 32.88 3d2o n LYS 230 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d2o h ARG 231 N 0.00 0.00 -5.79 1.97 3.08 -1.93 -3.44 114.38 108.27 3d2o h ARG 231 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3d2o h ARG 231 Cb 0.52 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 3d2o h ARG 231 CO 0.00 0.09 0.46 0.42 -1.07 0.00 0.00 179.97 179.87 3d2o s ILE 232 N -3.96 4.82 -0.09 2.04 1.01 -1.00 -3.57 121.20 120.45 3d2o s ILE 232 Ca -0.02 1.49 -0.14 0.00 0.00 0.00 0.00 60.65 61.99 3d2o s ILE 232 Cb 0.12 -4.12 -0.28 0.00 0.01 0.00 0.00 42.46 38.18 3d2o s ILE 232 CO 0.56 -0.11 0.56 0.11 0.00 0.00 0.00 174.94 176.05 3d2o h LYS 233 N 7.77 0.28 -3.79 2.79 1.57 -1.23 -3.49 116.57 120.48 3d2o h LYS 233 Ca -0.23 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 57.98 3d2o h LYS 233 Cb 1.09 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 3d2o h LYS 233 CO 0.88 1.23 -0.31 -1.54 -0.57 0.00 0.00 179.45 179.14 3d2o s SER 234 N -7.10 0.04 0.14 0.86 1.04 -1.17 -4.49 113.70 103.01 3d2o s SER 234 Ca -0.19 -0.71 -0.25 0.00 0.48 0.00 0.00 55.95 55.28 3d2o s SER 234 Cb 0.05 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.64 3d2o s SER 234 CO 0.79 -0.82 0.78 0.72 0.98 0.00 0.00 173.24 175.68 3d2o s PHE 235 N -3.90 -0.32 -0.04 5.02 -0.12 0.76 -2.01 117.98 117.37 3d2o s PHE 235 Ca 0.10 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 3d2o s PHE 235 Cb 0.04 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 43.04 3d2o s PHE 235 CO -0.06 -0.84 -0.07 0.08 -0.05 0.00 0.00 175.22 174.28 3d2o s VAL 236 N -3.51 0.65 -0.16 -2.49 1.01 -0.25 -1.17 120.40 114.48 3d2o s VAL 236 Ca 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3d2o s VAL 236 Cb -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.74 3d2o s VAL 236 CO -0.04 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.43 3d2o s VAL 237 N 0.55 2.49 0.10 2.92 1.01 -0.32 -1.00 120.40 126.14 3d2o s VAL 237 Ca -0.08 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.15 3d2o s VAL 237 Cb -0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3d2o s VAL 237 CO 0.01 0.52 -0.14 -1.61 0.00 0.00 0.00 175.10 173.87 3d2o s GLU 238 N 0.96 1.98 -0.05 2.72 2.02 0.03 -1.85 118.70 124.51 3d2o s GLU 238 Ca -0.03 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.91 3d2o s GLU 238 Cb -0.15 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.88 3d2o s GLU 238 CO -0.03 0.50 -0.10 0.45 0.02 0.00 0.00 175.26 176.10 3d2o s SER 239 N -2.04 1.52 -0.20 -0.19 0.15 -0.70 -0.73 113.70 111.52 3d2o s SER 239 Ca 0.19 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 3d2o s SER 239 Cb -0.11 -0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 3d2o s SER 239 CO 0.11 0.03 -0.07 -0.70 1.20 0.00 0.00 173.24 173.81 3d2o s GLU 240 N 0.58 3.36 -0.21 5.44 2.12 -0.23 -1.89 118.70 127.88 3d2o s GLU 240 Ca -0.11 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.52 3d2o s GLU 240 Cb -0.14 -2.91 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 3d2o s GLU 240 CO 0.02 -0.11 -0.00 -0.80 -0.54 0.00 0.00 175.26 173.84 3d2o s ASN 241 N 1.21 4.72 -1.39 -1.70 0.02 0.26 -0.26 114.94 117.80 3d2o s ASN 241 Ca 0.02 -0.26 -0.13 0.00 -1.02 0.00 0.00 52.86 51.48 3d2o s ASN 241 Cb -0.14 -1.82 0.09 0.00 0.02 0.00 0.00 41.25 39.40 3d2o s ASN 241 CO -0.02 0.02 2.07 0.49 0.02 0.00 0.00 177.10 179.69 3d2o n PHE 242 N 4.52 3.40 -1.75 2.20 3.72 -0.86 -1.67 117.46 127.03 3d2o n PHE 242 Ca -0.17 -2.92 -0.68 0.00 -0.05 0.00 0.00 57.45 53.64 3d2o n PHE 242 Cb 0.51 -2.35 -0.10 0.00 -0.94 0.00 0.00 39.48 36.61 3d2o n PHE 242 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3d2o n GLU 243 N 5.42 0.04 0.03 -1.08 -0.58 -1.24 -4.65 120.64 118.57 3d2o n GLU 243 Ca 0.47 0.01 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 3d2o n GLU 243 Cb 0.38 -1.52 0.42 0.00 -0.57 0.00 0.00 31.44 30.15 3d2o n GLU 243 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3d2o n SER 244 N 4.02 0.16 -0.16 1.62 3.41 -1.26 -2.57 113.62 118.84 3d2o n SER 244 Ca 0.31 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.54 3d2o n SER 244 Cb -0.05 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.26 3d2o n SER 244 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3d2o n ILE 245 N -1.67 0.00 -4.52 -1.33 -5.35 -1.26 -4.99 119.36 100.25 3d2o n ILE 245 Ca 0.04 -0.16 -0.28 0.00 -0.27 0.00 0.00 62.75 62.09 3d2o n ILE 245 Cb 0.24 1.08 -0.10 0.00 -1.74 0.00 0.00 39.64 39.12 3d2o n ILE 245 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3d2o s HIS 246 N -2.51 2.43 -0.29 4.28 3.76 -1.06 -5.04 115.29 116.85 3d2o s HIS 246 Ca 0.10 -0.70 0.11 0.00 -0.15 0.00 0.00 55.06 54.42 3d2o s HIS 246 Cb 0.14 -1.80 0.61 0.00 1.11 0.00 0.00 32.58 32.64 3d2o s HIS 246 CO 0.65 0.34 1.62 -1.71 -0.85 0.00 0.00 174.74 174.79 3d2o n ASN 247 N -1.09 3.75 -3.57 1.40 5.15 -1.26 -4.75 115.26 114.89 3d2o n ASN 247 Ca -0.06 -3.38 -0.19 0.00 -0.60 0.00 0.00 54.58 50.35 3d2o n ASN 247 Cb 0.66 -0.67 -0.08 0.00 -0.53 0.00 0.00 39.78 39.16 3d2o n ASN 247 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3d2o s HIS 248 N -3.07 1.68 0.06 1.20 -3.43 -1.26 -5.10 115.29 105.38 3d2o s HIS 248 Ca 0.49 -1.58 0.05 0.00 -0.80 0.00 0.00 55.06 53.22 3d2o s HIS 248 Cb 0.41 -0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 3d2o s HIS 248 CO 0.08 -0.77 -0.04 -1.12 -2.00 0.00 0.00 174.74 170.89 3d2o s SER 249 N -3.37 4.77 0.27 7.38 0.01 -1.26 -3.71 113.70 117.79 3d2o s SER 249 Ca 0.39 -0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 3d2o s SER 249 Cb 0.03 -1.09 -0.09 0.00 0.21 0.00 0.00 66.02 65.08 3d2o s SER 249 CO 0.24 0.21 0.82 0.00 0.41 0.00 0.00 173.24 174.92 3d2o s ALA 250 N -1.19 3.31 -0.09 1.44 0.00 -0.67 -4.91 121.76 119.66 3d2o s ALA 250 Ca 0.22 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 3d2o s ALA 250 Cb -0.11 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3d2o s ALA 250 CO 0.14 0.26 0.28 -0.47 0.00 0.00 0.00 175.76 175.97 3d2o s TYR 251 N -1.60 -0.27 0.08 0.00 5.04 -1.26 -0.58 117.35 118.77 3d2o s TYR 251 Ca 0.47 0.63 -0.13 0.00 -2.44 0.00 0.00 57.07 55.59 3d2o s TYR 251 Cb -0.17 0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.26 3d2o s TYR 251 CO 0.22 -0.20 0.31 0.00 -1.34 0.00 0.00 175.55 174.54 3d2o s ALA 252 N -0.20 -0.66 0.03 3.97 0.00 -0.79 -4.99 121.76 119.10 3d2o s ALA 252 Ca -0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 3d2o s ALA 252 Cb -0.03 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.58 3d2o s ALA 252 CO 0.01 -0.51 0.29 1.52 0.00 0.00 0.00 175.76 177.07 3d2o s TYR 253 N -3.23 -0.10 -0.08 0.00 -0.85 -1.26 -1.71 117.35 110.11 3d2o s TYR 253 Ca -0.00 0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 3d2o s TYR 253 Cb 0.01 0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.44 3d2o s TYR 253 CO -0.08 -0.46 -0.17 0.42 -1.52 0.00 0.00 175.55 173.74 3d2o s ILE 254 N -2.18 1.54 -0.02 -3.49 1.01 -0.77 -5.00 121.20 112.28 3d2o s ILE 254 Ca -0.08 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3d2o s ILE 254 Cb -0.02 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 3d2o s ILE 254 CO -0.01 0.44 -0.07 0.00 0.00 0.00 0.00 174.94 175.30 3d2o s ALA 255 N 0.46 2.99 -0.03 9.38 0.00 -1.26 -1.18 121.76 132.12 3d2o s ALA 255 Ca -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 3d2o s ALA 255 Cb -0.16 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.82 3d2o s ALA 255 CO 0.06 0.60 0.08 -0.47 0.00 0.00 0.00 175.76 176.02 3d2o s TYR 256 N -0.93 -0.08 -2.00 0.00 5.04 -0.31 -5.01 117.35 114.06 3d2o s TYR 256 Ca 0.15 0.22 0.21 0.00 -2.44 0.00 0.00 57.07 55.21 3d2o s TYR 256 Cb -0.11 -0.01 1.23 0.00 0.35 0.00 0.00 41.96 43.42 3d2o s TYR 256 CO 0.05 -0.06 1.62 -2.30 -1.34 0.00 0.00 175.55 173.52