#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1awf s VAL 17 N 0.00 4.71 -1.38 1.39 1.01 0.25 -4.13 120.40 122.24 1awf s VAL 17 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1awf s VAL 17 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1awf s VAL 17 CO 0.00 0.43 0.30 -0.62 0.00 0.00 0.00 175.10 175.21 1awf n GLU 18 N 3.87 -3.00 0.00 2.72 -0.58 -1.26 -1.62 120.64 120.77 1awf n GLU 18 Ca -0.16 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1awf n GLU 18 Cb 0.52 -5.31 0.00 0.00 -0.57 0.00 0.00 31.44 26.08 1awf n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1awf n GLY 19 N -1.24 1.69 3.22 0.62 0.00 -1.26 -4.80 105.19 103.42 1awf n GLY 19 Ca -0.14 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 1awf n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1awf s SER 20 N -1.00 0.81 0.20 1.61 0.01 -0.34 -4.93 113.70 110.07 1awf s SER 20 Ca 0.00 -1.25 -0.31 0.00 1.31 0.00 0.00 55.95 55.70 1awf s SER 20 Cb 0.00 0.21 -0.11 0.00 0.21 0.00 0.00 66.02 66.34 1awf s SER 20 CO 0.00 -0.68 1.58 -1.81 0.41 0.00 0.00 173.24 172.74 1awf s ASP 21 N -3.16 6.53 0.64 2.44 1.11 -1.26 0.11 116.67 123.07 1awf s ASP 21 Ca 0.29 2.72 -0.16 0.00 0.18 0.00 0.00 52.55 55.57 1awf s ASP 21 Cb 0.07 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1awf s ASP 21 CO 0.06 -0.85 1.15 0.00 1.18 0.00 0.00 175.17 176.72 1awf s ALA 22 N 0.82 2.45 0.67 5.23 0.00 0.75 -4.73 121.76 126.94 1awf s ALA 22 Ca 0.68 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1awf s ALA 22 Cb -0.45 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 1awf s ALA 22 CO 0.35 -1.29 1.05 -1.21 0.00 0.00 0.00 175.76 174.67 1awf s GLU 23 N -3.77 3.14 0.33 0.00 2.02 -1.26 -4.94 118.70 114.22 1awf s GLU 23 Ca 0.71 0.92 -0.29 0.00 0.02 0.00 0.00 54.97 56.34 1awf s GLU 23 Cb -0.25 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.86 1awf s GLU 23 CO 0.38 -0.94 1.38 0.42 0.02 0.00 0.00 175.26 176.52 1awf s ILE 24 N -3.03 2.52 0.00 -1.63 -1.09 -1.26 -2.46 121.20 114.25 1awf s ILE 24 Ca 0.58 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1awf s ILE 24 Cb -0.13 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1awf s ILE 24 CO 0.53 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 1awf n GLY 25 N 0.95 0.32 0.22 6.18 0.00 -1.26 -4.88 105.19 106.73 1awf n GLY 25 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1awf n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1awf h MET 26 N 0.86 0.00 -2.03 1.61 -1.53 -1.85 -3.33 114.93 108.66 1awf h MET 26 Ca 0.00 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.70 1awf h MET 26 Cb 0.28 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 30.94 1awf h MET 26 CO 0.00 0.25 -1.09 0.45 0.14 0.00 0.00 176.91 176.66 1awf n SER 27 N -3.74 0.17 -0.15 1.39 2.88 -1.26 -4.96 113.62 107.94 1awf n SER 27 Ca -0.01 -2.68 0.15 0.00 -1.33 0.00 0.00 58.87 55.00 1awf n SER 27 Cb 0.36 -0.63 0.80 0.00 -0.75 0.00 0.00 64.21 63.98 1awf n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1awf n PRO 28 N 1.51 1.21 0.00 -1.46 -0.04 -1.25 -1.45 135.00 133.52 1awf n PRO 28 Ca 0.22 -0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1awf n PRO 28 Cb 0.52 -1.48 0.36 0.00 -0.04 0.00 0.00 33.50 32.86 1awf n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1awf n TRP 29 N -0.62 0.00 -2.03 0.54 2.14 -0.91 -1.60 117.44 114.96 1awf n TRP 29 Ca 0.22 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.37 1awf n TRP 29 Cb 0.18 -0.17 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 1awf n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1awf s GLN 30 N -2.66 4.27 0.12 -2.67 2.00 -0.53 -0.28 119.66 119.91 1awf s GLN 30 Ca 0.20 2.26 0.10 0.00 -2.00 0.00 0.00 55.36 55.93 1awf s GLN 30 Cb 0.19 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.81 1awf s GLN 30 CO 0.57 -0.46 -0.24 0.08 -0.50 0.00 0.00 175.29 174.74 1awf s VAL 31 N 0.51 2.00 -0.19 1.34 1.01 -0.49 -4.04 120.40 120.54 1awf s VAL 31 Ca 0.63 -1.66 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1awf s VAL 31 Cb -0.41 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1awf s VAL 31 CO 0.37 0.01 0.01 -0.32 0.00 0.00 0.00 175.10 175.18 1awf s MET 32 N -2.00 3.72 -0.36 2.72 1.75 0.71 -2.04 119.30 123.81 1awf s MET 32 Ca 0.10 -0.47 -0.25 0.00 -1.25 0.00 0.00 55.69 53.82 1awf s MET 32 Cb -0.10 -3.10 0.01 0.00 2.84 0.00 0.00 34.83 34.48 1awf s MET 32 CO 0.05 0.11 0.89 -0.51 -0.65 0.00 0.00 175.02 174.91 1awf s LEU 33 N 0.76 4.03 -0.11 4.11 1.43 0.50 -0.96 118.68 128.44 1awf s LEU 33 Ca 0.01 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1awf s LEU 33 Cb -0.14 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.89 1awf s LEU 33 CO 0.02 -0.81 -0.19 0.12 0.23 0.00 0.00 176.35 175.73 1awf s PHE 34 N 3.35 2.27 0.16 0.29 5.36 0.48 -0.01 117.98 129.89 1awf s PHE 34 Ca 0.36 -1.06 -0.30 0.00 -0.96 0.00 0.00 56.93 54.97 1awf s PHE 34 Cb -0.12 -1.58 -0.07 0.00 -0.34 0.00 0.00 43.02 40.90 1awf s PHE 34 CO 0.18 -0.50 1.12 0.50 -1.46 0.00 0.00 175.22 175.06 1awf s ARG 35 N 0.79 4.56 0.09 10.12 3.52 0.23 -0.44 118.95 137.82 1awf s ARG 35 Ca -0.09 1.74 -0.16 0.00 -0.13 0.00 0.00 55.73 57.09 1awf s ARG 35 Cb -0.16 -3.28 -0.11 0.00 -1.56 0.00 0.00 34.95 29.84 1awf s ARG 35 CO 0.00 0.02 1.38 0.87 -0.81 0.00 0.00 175.30 176.76 1awf h LYS 36 N 5.33 0.65 -2.66 5.12 1.57 -1.80 -2.72 116.57 122.06 1awf h LYS 36 Ca -0.44 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 57.81 1awf h LYS 36 Cb 1.21 0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.26 1awf h LYS 36 CO 0.74 0.99 -0.43 0.45 -0.57 0.00 0.00 179.45 180.63 1awf s SER 37 N -6.57 -0.04 0.58 0.86 0.15 -1.26 -3.67 113.70 103.74 1awf s SER 37 Ca -0.12 0.83 -0.18 0.00 0.70 0.00 0.00 55.95 57.17 1awf s SER 37 Cb 0.08 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1awf s SER 37 CO 0.83 -0.23 1.13 -2.16 1.20 0.00 0.00 173.24 174.00 1awf s PRO 37 N 2.45 3.19 -0.22 5.44 0.04 -1.26 -5.03 135.00 139.61 1awf s PRO 37 Ca -0.01 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1awf s PRO 37 Cb -0.12 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1awf s PRO 37 CO -0.11 -0.97 1.60 -0.65 0.04 0.00 0.00 177.00 176.91 1awf s GLN 38 N -3.50 3.82 0.02 4.56 -0.21 -1.24 -4.71 119.66 118.40 1awf s GLN 38 Ca 0.71 1.67 -0.04 0.00 0.02 0.00 0.00 55.36 57.72 1awf s GLN 38 Cb -0.23 -4.02 -0.01 0.00 1.00 0.00 0.00 33.01 29.74 1awf s GLN 38 CO 0.31 -1.27 0.07 -1.21 -2.12 0.00 0.00 175.29 171.07 1awf s GLU 39 N 4.62 0.46 -0.25 2.91 2.02 -1.03 -4.92 118.70 122.50 1awf s GLU 39 Ca 0.71 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.83 1awf s GLU 39 Cb -0.25 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.15 1awf s GLU 39 CO 0.29 -0.10 1.47 -1.17 0.02 0.00 0.00 175.26 175.77 1awf s LEU 40 N -1.63 3.89 -0.14 1.80 1.98 -1.26 0.78 118.68 124.10 1awf s LEU 40 Ca -0.12 1.44 -0.24 0.00 -2.89 0.00 0.00 54.13 52.31 1awf s LEU 40 Cb -0.06 -3.54 -0.25 0.00 0.66 0.00 0.00 46.19 43.00 1awf s LEU 40 CO -0.01 -1.17 0.63 -0.07 -1.89 0.00 0.00 176.35 173.83 1awf h LEU 41 N 11.30 0.12 -7.83 -0.68 3.38 -0.79 -3.47 115.31 117.34 1awf h LEU 41 Ca -0.30 -0.86 0.15 0.00 0.09 0.00 0.00 57.88 56.97 1awf h LEU 41 Cb 1.13 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1awf h LEU 41 CO 1.02 1.26 0.52 0.00 0.09 0.00 0.00 178.44 181.33 1awf s GLY 43 N -3.18 1.77 0.03 0.00 0.00 0.11 -0.37 107.32 105.67 1awf s GLY 43 Ca 0.17 -1.35 -0.26 0.00 0.00 0.00 0.00 44.72 43.29 1awf s GLY 43 CO 0.05 -0.65 1.17 0.00 0.00 0.00 0.00 173.10 173.67 1awf n ALA 44 N -3.46 -3.26 -3.08 3.20 0.00 -0.86 -3.84 120.51 109.21 1awf n ALA 44 Ca 0.15 -0.82 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 1awf n ALA 44 Cb 0.60 0.24 -0.15 0.00 0.00 0.00 0.00 19.45 20.14 1awf n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1awf s SER 45 N -3.64 0.61 -0.28 0.00 0.15 -0.18 -1.40 113.70 108.96 1awf s SER 45 Ca 0.27 -0.08 -0.21 0.00 0.70 0.00 0.00 55.95 56.63 1awf s SER 45 Cb -0.01 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1awf s SER 45 CO 0.01 0.01 0.64 -0.22 1.20 0.00 0.00 173.24 174.88 1awf s LEU 46 N 0.26 4.09 -0.00 3.45 0.20 0.61 -1.12 118.68 126.17 1awf s LEU 46 Ca -0.03 0.61 0.09 0.00 0.69 0.00 0.00 54.13 55.49 1awf s LEU 46 Cb -0.06 -2.86 -0.10 0.00 -0.43 0.00 0.00 46.19 42.74 1awf s LEU 46 CO -0.00 -0.43 0.39 2.30 -0.29 0.00 0.00 176.35 178.32 1awf n ILE 47 N 5.29 0.00 -2.64 6.68 -5.35 -0.60 -1.37 119.36 121.37 1awf n ILE 47 Ca -0.00 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1awf n ILE 47 Cb 0.49 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1awf n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1awf n SER 48 N -1.23 0.00 0.04 7.28 3.41 -1.20 -4.72 113.62 117.20 1awf n SER 48 Ca 0.02 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1awf n SER 48 Cb 0.15 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.55 1awf n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1awf n ASP 49 N -0.65 0.24 -0.35 4.04 5.75 -1.26 -3.93 116.55 120.38 1awf n ASP 49 Ca 0.00 0.54 0.01 0.00 -0.01 0.00 0.00 54.79 55.33 1awf n ASP 49 Cb 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 41.12 39.51 1awf n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1awf n ARG 50 N -1.74 0.20 -4.33 0.11 1.85 -1.26 -0.42 116.66 111.07 1awf n ARG 50 Ca 0.05 -1.07 -0.25 0.00 -1.00 0.00 0.00 57.85 55.58 1awf n ARG 50 Cb 0.28 -0.61 -0.17 0.00 -1.05 0.00 0.00 32.46 30.91 1awf n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1awf s TRP 51 N -0.30 1.40 -0.07 2.89 0.52 -1.25 -0.07 118.94 122.05 1awf s TRP 51 Ca 0.03 -0.57 0.04 0.00 0.02 0.00 0.00 56.10 55.61 1awf s TRP 51 Cb 0.03 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1awf s TRP 51 CO 0.00 -0.35 -0.18 0.08 0.02 0.00 0.00 176.95 176.53 1awf s VAL 52 N 1.02 2.68 -0.18 4.03 1.01 0.14 -1.56 120.40 127.54 1awf s VAL 52 Ca -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1awf s VAL 52 Cb -0.15 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1awf s VAL 52 CO -0.00 0.57 0.11 -0.22 0.00 0.00 0.00 175.10 175.55 1awf s LEU 53 N -0.25 4.10 0.00 3.92 2.96 -0.28 -0.43 118.68 128.70 1awf s LEU 53 Ca 0.00 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1awf s LEU 53 Cb -0.13 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1awf s LEU 53 CO 0.03 0.22 0.24 1.07 -1.32 0.00 0.00 176.35 176.58 1awf n THR 54 N 3.26 0.00 -2.97 3.68 5.66 0.63 -1.02 114.28 123.52 1awf n THR 54 Ca -0.17 -1.61 -0.40 0.00 -3.05 0.00 0.00 64.05 58.82 1awf n THR 54 Cb 0.53 0.84 -0.05 0.00 -1.55 0.00 0.00 70.33 70.10 1awf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1awf s ALA 55 N -2.83 3.35 0.38 1.79 0.00 -1.26 -1.34 121.76 121.85 1awf s ALA 55 Ca 0.26 0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.62 1awf s ALA 55 Cb 0.01 -3.01 0.91 0.00 0.00 0.00 0.00 23.12 21.02 1awf s ALA 55 CO 0.19 0.03 1.87 0.00 0.00 0.00 0.00 175.76 177.84 1awf h ALA 56 N 5.87 1.95 0.00 0.00 0.00 -1.68 -2.14 119.26 123.26 1awf h ALA 56 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1awf h ALA 56 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1awf h ALA 56 CO 0.72 -0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.38 1awf n HIS 57 N -4.55 0.74 0.21 0.00 1.44 -1.26 -1.24 115.22 110.56 1awf n HIS 57 Ca 0.18 0.39 0.07 0.00 -2.01 0.00 0.00 57.72 56.35 1awf n HIS 57 Cb 0.53 -1.12 0.45 0.00 0.12 0.00 0.00 29.99 29.98 1awf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1awf n LEU 59 N -3.65 2.04 -3.78 0.00 4.77 -0.37 -4.84 117.00 111.16 1awf n LEU 59 Ca -0.01 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1awf n LEU 59 Cb 0.41 -0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1awf n LEU 59 CO 0.35 0.63 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.44 1awf s LEU 60 N -5.62 1.51 0.08 2.23 1.98 -0.38 0.81 118.68 119.29 1awf s LEU 60 Ca -0.17 -0.91 -0.10 0.00 -2.89 0.00 0.00 54.13 50.07 1awf s LEU 60 Cb 0.05 -0.73 0.00 0.00 0.66 0.00 0.00 46.19 46.17 1awf s LEU 60 CO 0.42 -0.29 0.21 -0.47 -1.89 0.00 0.00 176.35 174.33 1awf s TYR 60 N 1.75 0.09 0.00 5.38 5.04 0.29 -4.07 117.35 125.83 1awf s TYR 60 Ca -0.02 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1awf s TYR 60 Cb -0.17 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1awf s TYR 60 CO -0.07 -0.54 0.00 -2.30 -1.34 0.00 0.00 175.55 171.30 1awf n PRO 60 N 0.07 0.00 -0.49 4.97 -0.02 -1.26 -1.27 135.00 137.00 1awf n PRO 60 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1awf n PRO 60 Cb 0.62 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.38 1awf n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1awf n TRP 60 N 0.00 1.13 -2.74 6.00 8.01 -1.26 -4.92 117.44 123.66 1awf n TRP 60 Ca 0.00 -0.72 -0.14 0.00 -1.31 0.00 0.00 57.50 55.33 1awf n TRP 60 Cb 0.00 -0.27 -0.00 0.00 -2.01 0.00 0.00 31.31 29.03 1awf n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1awf n ASP 60 N 0.23 -3.39 -4.58 -0.99 8.00 -1.17 -4.94 116.55 109.71 1awf n ASP 60 Ca 0.21 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 1awf n ASP 60 Cb 0.84 -2.88 -0.05 0.00 -0.02 0.00 0.00 41.12 39.01 1awf n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1awf s LYS 60 N -5.34 3.73 -0.45 -1.24 2.20 -0.39 -4.96 119.74 113.29 1awf s LYS 60 Ca 0.13 0.25 0.05 0.00 -0.36 0.00 0.00 55.97 56.03 1awf s LYS 60 Cb -0.07 -3.81 0.18 0.00 -1.51 0.00 0.00 37.83 32.62 1awf s LYS 60 CO 0.15 -0.83 0.49 1.21 -0.36 0.00 0.00 175.35 176.02 1awf s ASN 60 N 1.83 0.30 0.36 1.43 2.47 -1.18 0.11 114.94 120.26 1awf s ASN 60 Ca 0.30 -2.53 -0.26 0.00 0.42 0.00 0.00 52.86 50.79 1awf s ASN 60 Cb -0.13 0.48 -0.09 0.00 -1.45 0.00 0.00 41.25 40.06 1awf s ASN 60 CO 0.16 -0.13 1.10 -0.36 -3.72 0.00 0.00 177.10 174.15 1awf s PHE 60 N 0.40 3.31 0.51 0.43 0.08 0.24 -4.99 117.98 117.96 1awf s PHE 60 Ca 0.31 1.64 0.02 0.00 0.12 0.00 0.00 56.93 59.02 1awf s PHE 60 Cb 0.02 -3.25 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1awf s PHE 60 CO -0.14 -0.79 0.05 0.95 -0.10 0.00 0.00 175.22 175.19 1awf s THR 60 N -1.44 1.23 0.19 0.64 -4.23 -1.26 -4.87 115.64 105.89 1awf s THR 60 Ca 0.53 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 1awf s THR 60 Cb -0.27 -2.17 0.09 0.00 1.34 0.00 0.00 72.50 71.49 1awf s THR 60 CO 0.35 0.00 1.82 -0.33 -0.54 0.00 0.00 174.62 175.92 1awf h GLU 61 N 1.28 0.67 0.00 3.99 3.07 -1.94 0.43 114.58 122.08 1awf h GLU 61 Ca -0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1awf h GLU 61 Cb 1.31 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1awf h GLU 61 CO 0.72 0.44 0.00 0.09 -1.40 0.00 0.00 179.01 178.86 1awf n ASN 62 N -4.76 0.00 0.22 1.42 4.13 -1.26 -2.49 115.26 112.52 1awf n ASN 62 Ca 0.05 -0.70 0.14 0.00 1.68 0.00 0.00 54.58 55.75 1awf n ASN 62 Cb 0.08 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 38.78 1awf n ASN 62 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1awf h ASP 63 N 0.00 0.00 -4.45 6.41 3.32 -1.30 -3.48 116.42 116.92 1awf h ASP 63 Ca 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1awf h ASP 63 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 1awf h ASP 63 CO 0.00 0.00 -0.78 -0.76 -1.72 0.00 0.00 179.24 175.98 1awf s LEU 64 N -5.71 2.27 -0.02 1.55 1.43 -1.04 -2.43 118.68 114.73 1awf s LEU 64 Ca 0.05 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1awf s LEU 64 Cb 0.08 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1awf s LEU 64 CO 0.56 -0.06 -0.17 -0.76 0.23 0.00 0.00 176.35 176.15 1awf s LEU 65 N -1.69 2.58 -0.21 1.79 1.43 0.41 -4.38 118.68 118.60 1awf s LEU 65 Ca -0.01 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1awf s LEU 65 Cb -0.10 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1awf s LEU 65 CO 0.02 0.31 0.17 -0.69 0.23 0.00 0.00 176.35 176.40 1awf s VAL 66 N -0.77 5.37 -0.20 -1.59 1.01 0.11 -0.39 120.40 123.93 1awf s VAL 66 Ca 0.12 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1awf s VAL 66 Cb -0.10 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1awf s VAL 66 CO 0.02 0.38 -0.16 -0.13 0.00 0.00 0.00 175.10 175.21 1awf s ARG 67 N 0.72 2.89 -0.01 2.72 0.52 -0.13 0.48 118.95 126.14 1awf s ARG 67 Ca 0.09 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1awf s ARG 67 Cb -0.12 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1awf s ARG 67 CO 0.02 -0.29 -0.14 0.42 0.02 0.00 0.00 175.30 175.33 1awf s ILE 68 N 1.28 3.05 0.00 1.52 1.01 0.20 -0.20 121.20 128.06 1awf s ILE 68 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1awf s ILE 68 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1awf s ILE 68 CO -0.10 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1awf n GLY 69 N 1.93 0.73 3.86 6.18 0.00 -1.26 0.32 105.19 116.96 1awf n GLY 69 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1awf n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awf s LYS 70 N -0.82 3.86 0.15 1.61 1.02 -1.26 -4.34 119.74 119.96 1awf s LYS 70 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.77 1awf s LYS 70 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1awf s LYS 70 CO 0.00 -0.23 0.00 1.58 -0.92 0.00 0.00 175.35 175.78 1awf n HIS 71 N -1.60 -0.81 -1.70 3.18 -0.00 -1.26 -4.92 115.22 108.11 1awf n HIS 71 Ca 0.05 0.14 -0.44 0.00 -0.00 0.00 0.00 57.72 57.48 1awf n HIS 71 Cb 0.54 0.21 -0.04 0.00 -0.00 0.00 0.00 29.99 30.70 1awf n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1awf n SER 72 N -3.35 3.65 -0.18 0.26 2.88 -1.26 -0.40 113.62 115.22 1awf n SER 72 Ca 0.00 1.06 -0.06 0.00 -1.33 0.00 0.00 58.87 58.54 1awf n SER 72 Cb 0.00 -1.51 0.04 0.00 -0.75 0.00 0.00 64.21 61.99 1awf n SER 72 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1awf h ARG 73 N 6.77 0.62 0.00 -1.46 2.43 -1.27 -3.37 114.38 118.10 1awf h ARG 73 Ca -0.44 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 1awf h ARG 73 Cb 1.23 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1awf h ARG 73 CO 0.93 0.41 -1.85 0.25 -1.51 0.00 0.00 179.97 178.20 1awf n THR 74 N -4.78 0.34 -2.35 0.20 -2.24 -1.26 -5.00 114.28 99.18 1awf n THR 74 Ca 0.04 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 1awf n THR 74 Cb 0.07 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1awf n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1awf s ARG 75 N -2.89 3.79 -0.66 -0.78 1.70 -1.26 -4.98 118.95 113.87 1awf s ARG 75 Ca -0.06 0.75 -0.27 0.00 -0.47 0.00 0.00 55.73 55.67 1awf s ARG 75 Cb 0.09 -2.19 0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1awf s ARG 75 CO 0.66 -0.30 1.22 -0.47 -1.08 0.00 0.00 175.30 175.33 1awf s TYR 76 N -2.74 2.45 -1.16 5.89 5.04 -1.26 -4.92 117.35 120.65 1awf s TYR 76 Ca 0.55 0.14 -0.19 0.00 -2.44 0.00 0.00 57.07 55.14 1awf s TYR 76 Cb -0.10 -4.55 -0.04 0.00 0.35 0.00 0.00 41.96 37.61 1awf s TYR 76 CO 0.39 -1.83 1.96 0.39 -1.34 0.00 0.00 175.55 175.12 1awf n GLU 77 N 8.86 2.24 -0.31 4.97 1.02 -1.26 -4.88 120.64 131.29 1awf n GLU 77 Ca 0.05 -2.50 0.08 0.00 -0.02 0.00 0.00 57.16 54.77 1awf n GLU 77 Cb 0.49 -3.33 0.16 0.00 -0.02 0.00 0.00 31.44 28.74 1awf n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1awf n ARG 77 N 7.38 -0.08 -0.70 3.49 0.63 -1.26 -0.44 116.66 125.68 1awf n ARG 77 Ca 0.49 1.34 -0.01 0.00 -0.92 0.00 0.00 57.85 58.75 1awf n ARG 77 Cb 0.43 -2.03 0.22 0.00 0.45 0.00 0.00 32.46 31.52 1awf n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1awf n ASN 78 N -5.36 3.10 -0.02 6.15 5.03 -1.26 -4.73 115.26 118.16 1awf n ASN 78 Ca 0.16 -3.48 -0.06 0.00 0.87 0.00 0.00 54.58 52.07 1awf n ASN 78 Cb 0.51 -0.62 -0.02 0.00 -1.02 0.00 0.00 39.78 38.63 1awf n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1awf n ILE 79 N -0.90 0.68 -2.19 2.41 5.41 0.41 -5.05 119.36 120.14 1awf n ILE 79 Ca 0.31 0.04 -0.32 0.00 1.00 0.00 0.00 62.75 63.78 1awf n ILE 79 Cb 1.03 -1.66 -0.01 0.00 -0.71 0.00 0.00 39.64 38.29 1awf n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1awf s GLU 80 N -2.16 3.73 -0.05 0.38 -1.05 -0.56 -4.78 118.70 114.21 1awf s GLU 80 Ca -0.09 0.95 0.06 0.00 -0.15 0.00 0.00 54.97 55.73 1awf s GLU 80 Cb 0.03 -2.10 -0.01 0.00 -0.44 0.00 0.00 34.13 31.61 1awf s GLU 80 CO 0.12 -0.46 -0.22 0.21 0.95 0.00 0.00 175.26 175.86 1awf s LYS 81 N -4.36 2.22 -0.19 -4.83 2.36 0.15 -4.95 119.74 110.14 1awf s LYS 81 Ca 0.59 -0.79 -0.04 0.00 -2.55 0.00 0.00 55.97 53.17 1awf s LYS 81 Cb -0.11 -1.91 -0.02 0.00 -1.05 0.00 0.00 37.83 34.73 1awf s LYS 81 CO 0.38 0.34 -0.03 0.42 1.55 0.00 0.00 175.35 178.02 1awf s ILE 82 N -0.12 3.78 0.12 5.43 1.01 -1.26 -0.63 121.20 129.53 1awf s ILE 82 Ca -0.03 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1awf s ILE 82 Cb -0.13 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1awf s ILE 82 CO 0.03 0.45 -0.25 -0.44 0.00 0.00 0.00 174.94 174.73 1awf s SER 83 N 0.88 3.43 0.29 3.58 0.01 0.18 -4.96 113.70 117.10 1awf s SER 83 Ca -0.00 -0.69 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 1awf s SER 83 Cb -0.14 -0.30 -0.07 0.00 0.21 0.00 0.00 66.02 65.72 1awf s SER 83 CO 0.02 0.19 0.63 -0.04 0.41 0.00 0.00 173.24 174.45 1awf s MET 84 N -1.99 3.83 -0.04 12.44 -1.94 -1.26 -0.71 119.30 129.62 1awf s MET 84 Ca 0.15 0.37 -0.17 0.00 -1.71 0.00 0.00 55.69 54.33 1awf s MET 84 Cb -0.10 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.14 1awf s MET 84 CO 0.06 0.20 0.46 -0.51 -0.01 0.00 0.00 175.02 175.23 1awf s LEU 85 N -3.13 4.40 -0.16 -0.03 1.43 -1.26 0.17 118.68 120.10 1awf s LEU 85 Ca 0.49 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1awf s LEU 85 Cb -0.11 -2.67 -0.23 0.00 0.03 0.00 0.00 46.19 43.21 1awf s LEU 85 CO 0.23 0.18 0.21 1.21 0.23 0.00 0.00 176.35 178.40 1awf n GLU 86 N 2.61 0.71 -3.73 1.70 2.13 0.17 -4.66 120.64 119.57 1awf n GLU 86 Ca -0.11 0.21 -0.12 0.00 0.66 0.00 0.00 57.16 57.81 1awf n GLU 86 Cb 0.52 -1.65 -0.12 0.00 0.27 0.00 0.00 31.44 30.45 1awf n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1awf s LYS 87 N -2.55 0.26 -0.11 5.31 2.36 -1.04 -5.00 119.74 118.97 1awf s LYS 87 Ca -0.23 0.55 -0.13 0.00 -2.55 0.00 0.00 55.97 53.61 1awf s LYS 87 Cb 0.07 -0.05 -0.05 0.00 -1.05 0.00 0.00 37.83 36.75 1awf s LYS 87 CO 0.73 -0.14 0.29 0.42 1.55 0.00 0.00 175.35 178.20 1awf s ILE 88 N 1.08 5.28 -0.22 5.43 1.01 -1.26 -0.47 121.20 132.04 1awf s ILE 88 Ca -0.08 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.14 1awf s ILE 88 Cb -0.08 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1awf s ILE 88 CO -0.08 0.48 -0.06 -0.31 0.00 0.00 0.00 174.94 174.97 1awf s TYR 89 N -0.20 2.35 -0.03 3.97 1.51 0.13 -5.01 117.35 120.06 1awf s TYR 89 Ca 0.18 -1.67 -0.07 0.00 -1.01 0.00 0.00 57.07 54.49 1awf s TYR 89 Cb -0.14 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.10 1awf s TYR 89 CO 0.06 -0.76 0.24 0.42 -1.11 0.00 0.00 175.55 174.40 1awf s ILE 90 N 1.41 5.35 0.17 2.71 1.01 -1.26 -0.15 121.20 130.43 1awf s ILE 90 Ca -0.04 0.23 -0.34 0.00 0.00 0.00 0.00 60.65 60.50 1awf s ILE 90 Cb -0.18 -3.53 -0.14 0.00 0.01 0.00 0.00 42.46 38.62 1awf s ILE 90 CO -0.07 0.47 1.45 1.57 0.00 0.00 0.00 174.94 178.36 1awf n HIS 91 N 1.45 2.02 0.20 3.97 -0.00 -0.72 -4.86 115.22 117.29 1awf n HIS 91 Ca -0.14 0.42 0.17 0.00 -0.00 0.00 0.00 57.72 58.16 1awf n HIS 91 Cb 0.53 -2.46 0.81 0.00 -0.00 0.00 0.00 29.99 28.87 1awf n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1awf h PRO 92 N 5.01 0.00 -0.41 1.57 0.13 -1.95 -1.93 132.00 134.41 1awf h PRO 92 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1awf h PRO 92 Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1awf h PRO 92 CO 0.82 0.00 0.05 0.54 -0.23 0.00 0.00 178.00 179.18 1awf n ARG 93 N -3.90 2.46 -1.69 0.86 1.74 -1.26 -4.99 116.66 109.88 1awf n ARG 93 Ca 0.02 -3.04 -0.44 0.00 -0.77 0.00 0.00 57.85 53.62 1awf n ARG 93 Cb 0.32 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 29.82 1awf n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1awf n TYR 94 N -0.81 2.49 -3.49 -1.55 9.36 -0.73 -4.69 117.16 117.74 1awf n TYR 94 Ca 0.32 0.10 -0.41 0.00 3.32 0.00 0.00 57.90 61.23 1awf n TYR 94 Cb 1.08 -2.63 -0.04 0.00 -0.63 0.00 0.00 39.34 37.12 1awf n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1awf s ASN 95 N 1.54 6.47 0.46 2.98 3.84 0.53 -4.83 114.94 125.93 1awf s ASN 95 Ca 0.79 -3.34 0.26 0.00 0.21 0.00 0.00 52.86 50.78 1awf s ASN 95 Cb -0.59 -2.06 0.92 0.00 -0.55 0.00 0.00 41.25 38.97 1awf s ASN 95 CO 0.37 -0.32 1.82 4.11 -2.79 0.00 0.00 177.10 180.29 1awf h TRP 96 N 6.73 0.00 -0.30 0.43 5.08 -1.91 -0.55 115.95 125.43 1awf h TRP 96 Ca 0.13 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.97 1awf h TRP 96 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1awf h TRP 96 CO 0.80 0.15 -0.34 0.00 -1.28 0.00 0.00 178.44 177.77 1awf h ARG 97 N 0.00 0.67 0.00 0.12 3.08 -2.00 -3.43 114.38 112.82 1awf h ARG 97 Ca -0.00 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1awf h ARG 97 Cb 0.75 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1awf h ARG 97 CO 0.02 0.91 -0.53 -0.85 -1.07 0.00 0.00 179.97 178.45 1awf n GLU 97 N -4.06 0.02 0.00 0.04 0.28 -1.23 -4.99 120.64 110.69 1awf n GLU 97 Ca -0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1awf n GLU 97 Cb 0.49 -0.53 0.00 0.00 1.43 0.00 0.00 31.44 32.83 1awf n GLU 97 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1awf n ASN 98 N -3.28 1.45 -2.26 -1.84 6.94 -1.18 -4.96 115.26 110.13 1awf n ASN 98 Ca -0.01 -1.68 -0.20 0.00 -0.02 0.00 0.00 54.58 52.67 1awf n ASN 98 Cb 0.26 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.67 1awf n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1awf n LEU 99 N -0.34 -1.90 -4.77 -4.53 4.77 -0.22 -4.98 117.00 105.03 1awf n LEU 99 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1awf n LEU 99 Cb 0.28 -2.84 -0.01 0.00 -2.33 0.00 0.00 43.42 38.52 1awf n LEU 99 CO 0.00 -0.24 1.18 -0.62 -1.33 0.00 0.00 177.39 176.38 1awf s ASP 100 N -2.12 6.33 -1.22 -1.43 2.15 -1.24 -2.86 116.67 116.27 1awf s ASP 100 Ca 0.00 3.04 -0.04 0.00 0.43 0.00 0.00 52.55 55.98 1awf s ASP 100 Cb 0.00 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1awf s ASP 100 CO 0.00 -0.91 1.04 0.54 -0.17 0.00 0.00 175.17 175.68 1awf n ARG 101 N 1.00 -6.97 -2.72 4.34 1.74 -1.26 -0.34 116.66 112.44 1awf n ARG 101 Ca 0.03 0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 1awf n ARG 101 Cb 0.38 -5.72 -0.01 0.00 -1.02 0.00 0.00 32.46 26.09 1awf n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1awf s ASP 102 N -3.80 6.79 -0.13 0.55 2.15 -1.14 -4.35 116.67 116.74 1awf s ASP 102 Ca 0.28 -2.29 -0.16 0.00 0.43 0.00 0.00 52.55 50.81 1awf s ASP 102 Cb -0.12 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1awf s ASP 102 CO 0.70 -1.13 0.42 -0.51 -0.17 0.00 0.00 175.17 174.48 1awf s ILE 103 N 3.50 0.01 -0.06 4.11 2.07 -1.26 -3.91 121.20 125.65 1awf s ILE 103 Ca 0.46 -0.07 -0.12 0.00 -1.41 0.00 0.00 60.65 59.51 1awf s ILE 103 Cb -0.00 -0.62 0.02 0.00 0.13 0.00 0.00 42.46 41.99 1awf s ILE 103 CO -0.01 -0.04 0.28 0.00 -1.91 0.00 0.00 174.94 173.26 1awf s ALA 104 N -0.08 -0.71 -0.11 1.50 0.00 -0.45 -1.75 121.76 120.17 1awf s ALA 104 Ca -0.03 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1awf s ALA 104 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1awf s ALA 104 CO 0.02 -0.20 0.04 -0.51 0.00 0.00 0.00 175.76 175.11 1awf s LEU 105 N -0.60 3.77 -0.09 0.00 1.43 0.78 -0.27 118.68 123.70 1awf s LEU 105 Ca -0.07 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1awf s LEU 105 Cb -0.04 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1awf s LEU 105 CO 0.02 0.35 -0.13 -0.04 0.23 0.00 0.00 176.35 176.78 1awf s MET 106 N -0.70 1.91 -0.18 1.70 -1.94 0.42 0.21 119.30 120.73 1awf s MET 106 Ca 0.11 -0.46 -0.09 0.00 -1.71 0.00 0.00 55.69 53.54 1awf s MET 106 Cb -0.12 -1.64 -0.05 0.00 2.01 0.00 0.00 34.83 35.04 1awf s MET 106 CO 0.02 -0.04 0.13 -1.59 -0.01 0.00 0.00 175.02 173.53 1awf s LYS 107 N 0.91 4.00 0.40 2.03 -2.85 0.38 -0.68 119.74 123.93 1awf s LYS 107 Ca -0.09 -0.21 -0.19 0.00 -1.00 0.00 0.00 55.97 54.48 1awf s LYS 107 Cb -0.15 -3.35 -0.10 0.00 -2.06 0.00 0.00 37.83 32.16 1awf s LYS 107 CO 0.00 0.41 0.88 -0.51 0.10 0.00 0.00 175.35 176.24 1awf s LEU 108 N 0.03 3.97 0.12 2.77 1.43 0.90 0.44 118.68 128.34 1awf s LEU 108 Ca 0.09 1.56 -0.19 0.00 -1.03 0.00 0.00 54.13 54.56 1awf s LEU 108 Cb -0.11 -4.39 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 1awf s LEU 108 CO -0.00 -0.32 1.74 0.50 0.23 0.00 0.00 176.35 178.50 1awf h LYS 109 N 2.00 0.35 -5.05 1.70 1.63 -0.55 -3.40 116.57 113.26 1awf h LYS 109 Ca -0.49 -0.04 -0.41 0.00 -0.85 0.00 0.00 60.65 58.87 1awf h LYS 109 Cb 1.18 -0.07 -0.25 0.00 -0.60 0.00 0.00 32.23 32.48 1awf h LYS 109 CO 0.62 0.29 -0.78 0.15 -3.45 0.00 0.00 179.45 176.29 1awf s LYS 110 N -5.95 0.82 0.35 1.90 1.02 -1.26 -4.94 119.74 111.68 1awf s LYS 110 Ca -0.13 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 54.94 1awf s LYS 110 Cb 0.09 -0.78 -0.11 0.00 -0.52 0.00 0.00 37.83 36.50 1awf s LYS 110 CO 0.71 0.20 1.49 -2.30 -0.92 0.00 0.00 175.35 174.52 1awf n PRO 111 N 2.11 2.61 -3.00 -1.68 -0.02 -1.26 -4.92 135.00 128.84 1awf n PRO 111 Ca -0.17 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 1awf n PRO 111 Cb 0.55 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1awf n PRO 111 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1awf s VAL 112 N -0.87 4.71 0.02 -1.45 -7.23 0.44 -5.00 120.40 111.01 1awf s VAL 112 Ca 0.56 0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 61.40 1awf s VAL 112 Cb -0.49 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 32.73 1awf s VAL 112 CO 0.60 -0.34 0.47 0.00 -0.31 0.00 0.00 175.10 175.53 1awf s ALA 113 N -2.16 3.64 0.61 1.32 0.00 -1.26 -4.83 121.76 119.08 1awf s ALA 113 Ca 0.53 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 1awf s ALA 113 Cb -0.10 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1awf s ALA 113 CO 0.23 0.42 1.01 -0.06 0.00 0.00 0.00 175.76 177.37 1awf s PHE 114 N -0.98 3.62 0.24 0.00 0.08 -1.26 -4.89 117.98 114.78 1awf s PHE 114 Ca 0.26 1.27 -0.10 0.00 0.12 0.00 0.00 56.93 58.48 1awf s PHE 114 Cb -0.18 -2.70 0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1awf s PHE 114 CO 0.15 -0.66 0.52 -1.13 -0.10 0.00 0.00 175.22 174.01 1awf n SER 115 N -2.68 -1.43 0.25 1.36 3.41 -0.75 -4.96 113.62 108.82 1awf n SER 115 Ca 0.06 -1.96 0.17 0.00 -0.26 0.00 0.00 58.87 56.88 1awf n SER 115 Cb 0.54 2.37 0.89 0.00 -0.26 0.00 0.00 64.21 67.75 1awf n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1awf h ASP 116 N 1.26 0.00 0.00 4.04 3.32 -1.99 -3.12 116.42 119.93 1awf h ASP 116 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1awf h ASP 116 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1awf h ASP 116 CO 0.27 0.00 -0.51 -1.22 -1.72 0.00 0.00 179.24 176.05 1awf n TYR 117 N -2.70 0.00 -3.74 4.55 4.01 -1.26 -4.74 117.16 113.28 1awf n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 1awf n TYR 117 Cb 0.08 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 38.93 1awf n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1awf s ILE 118 N -1.87 0.68 -0.23 -0.72 1.01 -1.18 -4.18 121.20 114.71 1awf s ILE 118 Ca 0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 1awf s ILE 118 Cb 0.06 -1.30 0.07 0.00 0.01 0.00 0.00 42.46 41.29 1awf s ILE 118 CO 0.33 -0.39 0.59 -2.28 0.00 0.00 0.00 174.94 173.19 1awf s HIS 119 N 1.76 -0.79 0.56 3.97 2.46 -0.63 -1.81 115.29 120.81 1awf s HIS 119 Ca 0.03 1.72 -0.19 0.00 0.47 0.00 0.00 55.06 57.09 1awf s HIS 119 Cb -0.17 0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 32.60 1awf s HIS 119 CO -0.15 -0.40 1.13 -1.25 -2.47 0.00 0.00 174.74 171.60 1awf s PRO 120 N 1.00 3.28 0.36 2.88 0.04 -1.26 -2.14 135.00 139.17 1awf s PRO 120 Ca -0.05 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1awf s PRO 120 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1awf s PRO 120 CO -0.09 -0.90 0.59 0.54 0.04 0.00 0.00 177.00 177.18 1awf s VAL 121 N -1.85 5.06 0.34 -0.36 0.11 -0.47 -4.90 120.40 118.33 1awf s VAL 121 Ca 0.72 -0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 59.33 1awf s VAL 121 Cb -0.23 -3.84 -0.09 0.00 -1.53 0.00 0.00 36.38 30.68 1awf s VAL 121 CO 0.29 -0.58 0.81 0.00 -3.33 0.00 0.00 175.10 172.29 1awf s LEU 123 N -2.82 4.33 0.50 0.00 1.43 -1.26 0.54 118.68 121.39 1awf s LEU 123 Ca 0.54 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1awf s LEU 123 Cb -0.11 -3.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 1awf s LEU 123 CO 0.17 0.06 1.03 -2.16 0.23 0.00 0.00 176.35 175.68 1awf s PRO 124 N -1.99 3.77 0.26 1.29 0.04 -1.26 -4.90 135.00 132.20 1awf s PRO 124 Ca 0.40 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.79 1awf s PRO 124 Cb -0.16 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1awf s PRO 124 CO 0.20 -0.44 0.31 0.16 0.04 0.00 0.00 177.00 177.26 1awf s ASP 125 N -2.20 5.97 0.21 6.66 1.47 -1.26 -4.85 116.67 122.67 1awf s ASP 125 Ca 0.66 -0.09 -0.05 0.00 1.18 0.00 0.00 52.55 54.25 1awf s ASP 125 Cb -0.15 -1.61 0.37 0.00 -0.34 0.00 0.00 42.92 41.19 1awf s ASP 125 CO 0.23 -0.10 1.14 -1.14 0.68 0.00 0.00 175.17 175.97 1awf n ARG 126 N -1.35 -0.06 0.11 2.11 3.00 -1.26 -1.92 116.66 117.29 1awf n ARG 126 Ca -0.08 1.13 0.01 0.00 -0.00 0.00 0.00 57.85 58.91 1awf n ARG 126 Cb 0.58 -1.70 -0.01 0.00 0.00 0.00 0.00 32.46 31.32 1awf n ARG 126 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1awf h GLU 127 N 0.00 0.00 -0.97 -0.14 4.57 -2.03 0.10 114.58 116.10 1awf h GLU 127 Ca 0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1awf h GLU 127 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1awf h GLU 127 CO -0.74 0.56 0.00 2.41 -1.18 0.00 0.00 179.01 180.06 1awf n THR 128 N -3.20 0.12 0.00 0.32 -1.04 -0.81 -0.86 114.28 108.81 1awf n THR 128 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1awf n THR 128 Cb 0.78 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1awf n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1awf n ALA 129 N 0.61 0.00 0.09 2.41 0.00 0.02 -0.94 120.51 122.70 1awf n ALA 129 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1awf n ALA 129 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 1awf n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1awf h SER 129 N 0.00 0.21 0.03 0.00 0.87 -1.25 -3.37 113.55 110.04 1awf h SER 129 Ca 0.00 -0.17 -0.27 0.00 -1.23 0.00 0.00 61.79 60.12 1awf h SER 129 Cb 0.00 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1awf h SER 129 CO 0.00 1.00 -2.25 0.18 -0.53 0.00 0.00 176.83 175.23 1awf n LEU 129 N -3.62 0.04 -4.33 2.23 4.32 -0.12 -4.68 117.00 110.85 1awf n LEU 129 Ca -0.03 0.02 -0.43 0.00 -0.02 0.00 0.00 56.01 55.55 1awf n LEU 129 Cb 0.82 0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.98 1awf n LEU 129 CO 0.48 0.36 2.09 0.18 -1.22 0.00 0.00 177.39 179.28 1awf n LEU 130 N -2.63 5.51 -4.20 2.23 4.77 -1.26 -4.85 117.00 116.57 1awf n LEU 130 Ca -0.25 -4.06 -0.13 0.00 -0.03 0.00 0.00 56.01 51.54 1awf n LEU 130 Cb 1.00 -1.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.28 1awf n LEU 130 CO 0.44 0.50 -0.40 -1.10 -1.33 0.00 0.00 177.39 175.49 1awf s GLN 131 N 3.53 0.90 0.27 3.23 -0.21 -1.26 -4.94 119.66 121.18 1awf s GLN 131 Ca 0.50 -1.30 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 1awf s GLN 131 Cb 0.06 -0.45 -0.09 0.00 1.00 0.00 0.00 33.01 33.52 1awf s GLN 131 CO 0.03 0.05 1.17 0.00 -2.12 0.00 0.00 175.29 174.42 1awf s ALA 132 N -3.06 3.44 0.00 6.09 0.00 -1.26 -2.14 121.76 124.82 1awf s ALA 132 Ca 0.11 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1awf s ALA 132 Cb 0.01 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1awf s ALA 132 CO -0.01 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1awf n GLY 133 N 1.29 3.11 3.74 0.00 0.00 0.11 -4.93 105.19 108.51 1awf n GLY 133 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1awf n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1awf s TYR 134 N -2.46 3.77 -0.03 1.61 1.51 -0.91 -4.60 117.35 116.24 1awf s TYR 134 Ca 0.00 1.75 -0.13 0.00 -1.01 0.00 0.00 57.07 57.68 1awf s TYR 134 Cb 0.00 -3.12 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 1awf s TYR 134 CO 0.00 -0.02 0.35 0.15 -1.11 0.00 0.00 175.55 174.92 1awf s LYS 135 N -0.33 3.86 0.11 -0.62 1.02 -1.26 0.23 119.74 122.75 1awf s LYS 135 Ca 0.47 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1awf s LYS 135 Cb -0.26 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1awf s LYS 135 CO 0.32 0.67 0.01 0.41 -0.92 0.00 0.00 175.35 175.84 1awf n GLY 136 N 1.98 3.88 3.04 -3.33 0.00 -0.27 -4.85 105.19 105.64 1awf n GLY 136 Ca -0.15 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.42 1awf n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1awf s ARG 137 N -2.40 1.19 -0.05 1.61 3.52 0.08 -0.09 118.95 122.81 1awf s ARG 137 Ca 0.01 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.26 1awf s ARG 137 Cb -0.00 -1.09 -0.02 0.00 -1.56 0.00 0.00 34.95 32.28 1awf s ARG 137 CO 0.01 0.16 -0.18 0.08 -0.81 0.00 0.00 175.30 174.56 1awf s VAL 138 N 0.12 2.75 0.11 7.11 1.01 0.42 -0.67 120.40 131.25 1awf s VAL 138 Ca -0.03 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1awf s VAL 138 Cb -0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1awf s VAL 138 CO 0.01 0.58 -0.15 0.42 0.00 0.00 0.00 175.10 175.96 1awf s THR 139 N -0.60 1.35 0.00 3.92 -4.23 -1.23 -1.22 115.64 113.64 1awf s THR 139 Ca 0.09 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1awf s THR 139 Cb -0.11 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1awf s THR 139 CO 0.01 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1awf n GLY 140 N 0.77 -0.54 1.42 3.99 0.00 -0.86 -4.61 105.19 105.36 1awf n GLY 140 Ca -0.17 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.81 1awf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1awf n TRP 141 N -0.34 1.59 -1.83 1.61 8.01 -1.26 -2.02 117.44 123.20 1awf n TRP 141 Ca 0.00 -1.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.03 1awf n TRP 141 Cb 0.00 -0.47 0.10 0.00 -2.01 0.00 0.00 31.31 28.93 1awf n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1awf n GLY 142 N -0.24 -0.70 3.75 6.99 0.00 -1.26 -4.53 105.19 109.20 1awf n GLY 142 Ca 0.29 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1awf n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1awf s ASN 143 N -3.69 5.30 0.00 1.61 0.02 0.17 -2.80 114.94 115.55 1awf s ASN 143 Ca 0.42 2.66 0.30 0.00 -1.02 0.00 0.00 52.86 55.22 1awf s ASN 143 Cb -0.01 -2.63 1.41 0.00 0.02 0.00 0.00 41.25 40.04 1awf s ASN 143 CO 0.29 -1.54 1.96 0.18 0.02 0.00 0.00 177.10 178.01 1awf n LEU 144 N -1.10 0.52 -3.58 0.60 4.77 0.77 -0.87 117.00 118.11 1awf n LEU 144 Ca 0.11 -0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1awf n LEU 144 Cb 0.46 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1awf n LEU 144 CO 0.51 0.09 0.97 -1.59 -1.33 0.00 0.00 177.39 176.04 1awf s LYS 145 N -2.24 0.37 0.77 3.23 -2.85 -1.26 -4.43 119.74 113.33 1awf s LYS 145 Ca 0.36 -0.13 -0.11 0.00 -1.00 0.00 0.00 55.97 55.10 1awf s LYS 145 Cb 0.21 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 36.20 1awf s LYS 145 CO 0.41 -0.16 1.09 -1.83 0.10 0.00 0.00 175.35 174.96 1awf s GLU 146 N -2.44 2.32 0.00 1.78 -1.05 -1.26 -4.59 118.70 113.46 1awf s GLU 146 Ca 0.09 0.73 0.00 0.00 -0.15 0.00 0.00 54.97 55.64 1awf s GLU 146 Cb -0.01 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 1awf s GLU 146 CO -0.05 -1.48 0.00 0.25 0.95 0.00 0.00 175.26 174.93 1awf n THR 147 N -3.35 0.00 -3.37 1.83 -2.24 -1.26 -1.73 114.28 104.15 1awf n THR 147 Ca 0.07 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.59 1awf n THR 147 Cb 0.55 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 1awf n THR 147 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1awf n TRP 148 N -1.49 0.58 -2.91 4.78 -0.00 -1.26 -0.83 117.44 116.31 1awf n TRP 148 Ca 0.00 -3.68 -0.10 0.00 -0.00 0.00 0.00 57.50 53.73 1awf n TRP 148 Cb 0.13 -0.24 0.03 0.00 -0.00 0.00 0.00 31.31 31.24 1awf n TRP 148 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1awf n THR 149 N 1.79 -1.45 -0.70 -1.67 -2.24 -1.26 -5.08 114.28 103.67 1awf n THR 149 Ca 0.25 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 1awf n THR 149 Cb 0.47 -2.70 0.16 0.00 -2.10 0.00 0.00 70.33 66.17 1awf n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1awf n ALA 149 N -3.36 -4.09 -4.16 6.98 0.00 -0.01 -4.76 120.51 111.10 1awf n ALA 149 Ca -0.01 -1.22 -0.21 0.00 0.00 0.00 0.00 53.44 52.00 1awf n ALA 149 Cb 0.53 -1.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1awf n ALA 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1awf n ASN 149 N -1.37 0.42 0.00 0.00 3.02 -0.71 -4.56 115.26 112.07 1awf n ASN 149 Ca 0.01 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 1awf n ASN 149 Cb 0.62 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 1awf n ASN 149 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1awf n VAL 149 N -0.64 0.00 0.00 2.41 0.24 -1.26 -4.81 118.33 114.27 1awf n VAL 149 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1awf n VAL 149 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1awf n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1awf n GLY 149 N 5.00 -0.24 0.00 7.63 0.00 -1.26 -2.72 105.19 113.60 1awf n GLY 149 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1awf n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1awf n LYS 149 N 0.00 0.14 0.00 1.61 4.76 -1.26 -5.11 118.16 118.30 1awf n LYS 149 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1awf n LYS 149 Cb 0.00 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1awf n LYS 149 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1awf n GLY 150 N 1.97 2.41 3.15 0.72 0.00 -1.10 -4.82 105.19 107.52 1awf n GLY 150 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1awf n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1awf s GLN 151 N 0.00 2.55 0.57 1.61 -0.21 -1.26 -0.16 119.66 122.76 1awf s GLN 151 Ca 0.00 -0.72 -0.19 0.00 0.02 0.00 0.00 55.36 54.47 1awf s GLN 151 Cb 0.00 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1awf s GLN 151 CO 0.00 0.14 1.20 -1.25 -2.12 0.00 0.00 175.29 173.26 1awf s PRO 152 N 0.42 3.12 0.08 2.91 0.04 -1.26 -4.96 135.00 135.36 1awf s PRO 152 Ca -0.17 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 1awf s PRO 152 Cb -0.17 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 1awf s PRO 152 CO 0.07 -1.08 1.36 1.03 0.04 0.00 0.00 177.00 178.42 1awf h SER 153 N 1.08 0.73 -3.21 6.66 0.87 -1.97 -3.42 113.55 114.28 1awf h SER 153 Ca -0.50 -0.52 -0.45 0.00 -1.23 0.00 0.00 61.79 59.08 1awf h SER 153 Cb 1.29 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.90 1awf h SER 153 CO 0.56 1.11 -0.70 -0.69 -0.53 0.00 0.00 176.83 176.58 1awf s VAL 154 N -4.15 1.59 0.08 2.23 1.01 -1.26 -0.87 120.40 119.02 1awf s VAL 154 Ca -0.12 -2.15 -0.37 0.00 0.00 0.00 0.00 61.98 59.34 1awf s VAL 154 Cb 0.08 -2.23 -0.17 0.00 0.00 0.00 0.00 36.38 34.06 1awf s VAL 154 CO 0.83 -0.46 1.30 -0.11 0.00 0.00 0.00 175.10 176.67 1awf n LEU 155 N -0.45 1.43 -4.90 3.92 7.94 0.47 -4.82 117.00 120.58 1awf n LEU 155 Ca -0.07 1.12 -0.26 0.00 -1.11 0.00 0.00 56.01 55.69 1awf n LEU 155 Cb 0.62 -1.16 -0.04 0.00 0.53 0.00 0.00 43.42 43.38 1awf n LEU 155 CO 0.37 -1.16 -0.13 -1.10 -1.11 0.00 0.00 177.39 174.25 1awf s GLN 156 N 0.41 3.29 -0.01 1.96 -1.52 -0.86 -0.18 119.66 122.75 1awf s GLN 156 Ca 0.85 -0.67 0.07 0.00 -1.95 0.00 0.00 55.36 53.67 1awf s GLN 156 Cb -0.99 -2.88 -0.02 0.00 -0.22 0.00 0.00 33.01 28.90 1awf s GLN 156 CO 0.48 0.52 -0.23 0.08 -0.25 0.00 0.00 175.29 175.89 1awf s VAL 157 N -1.73 1.80 0.02 1.09 1.01 0.12 -2.02 120.40 120.68 1awf s VAL 157 Ca 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1awf s VAL 157 Cb -0.11 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1awf s VAL 157 CO 0.27 0.47 -0.03 0.54 0.00 0.00 0.00 175.10 176.35 1awf s VAL 158 N -0.57 0.17 -0.20 2.92 0.11 -0.36 -1.19 120.40 121.28 1awf s VAL 158 Ca 0.09 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1awf s VAL 158 Cb -0.09 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1awf s VAL 158 CO -0.00 -0.40 0.04 0.20 -3.33 0.00 0.00 175.10 171.61 1awf s ASN 159 N -1.24 5.19 -0.02 3.54 0.01 -1.26 -0.44 114.94 120.72 1awf s ASN 159 Ca -0.12 -0.09 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 1awf s ASN 159 Cb -0.08 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 1awf s ASN 159 CO -0.01 0.09 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.73 1awf s LEU 160 N 0.85 2.01 0.41 0.60 1.43 0.87 -4.92 118.68 119.93 1awf s LEU 160 Ca 0.02 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1awf s LEU 160 Cb -0.14 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 45.02 1awf s LEU 160 CO 0.02 0.22 1.02 -2.16 0.23 0.00 0.00 176.35 175.67 1awf s PRO 161 N -0.34 4.16 0.42 1.29 0.04 -1.26 -1.12 135.00 138.20 1awf s PRO 161 Ca 0.05 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 1awf s PRO 161 Cb -0.08 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 1awf s PRO 161 CO -0.00 -0.12 1.17 0.42 0.04 0.00 0.00 177.00 178.50 1awf s ILE 162 N -1.80 3.15 0.01 0.56 1.01 0.13 -1.05 121.20 123.22 1awf s ILE 162 Ca 0.59 0.92 0.05 0.00 0.00 0.00 0.00 60.65 62.21 1awf s ILE 162 Cb -0.18 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1awf s ILE 162 CO 0.23 0.05 -0.11 -0.69 0.00 0.00 0.00 174.94 174.42 1awf s VAL 163 N -1.47 3.34 0.25 2.92 1.01 -0.87 0.07 120.40 125.65 1awf s VAL 163 Ca 0.59 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1awf s VAL 163 Cb -0.30 -2.44 -0.15 0.00 0.00 0.00 0.00 36.38 33.50 1awf s VAL 163 CO 0.37 0.38 0.92 -0.62 0.00 0.00 0.00 175.10 176.15 1awf n GLU 164 N 1.58 1.01 -0.16 2.72 4.71 -1.26 -4.65 120.64 124.59 1awf n GLU 164 Ca -0.16 0.35 -0.04 0.00 -0.01 0.00 0.00 57.16 57.31 1awf n GLU 164 Cb 0.52 -1.66 0.05 0.00 -1.01 0.00 0.00 31.44 29.34 1awf n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1awf h ARG 165 N 1.97 0.42 -0.73 3.49 3.08 -1.98 -1.74 114.38 118.88 1awf h ARG 165 Ca -0.38 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.81 1awf h ARG 165 Cb 1.36 -0.09 -0.13 0.00 0.08 0.00 0.00 29.97 31.19 1awf h ARG 165 CO 0.61 0.28 -0.06 -1.00 -1.07 0.00 0.00 179.97 178.73 1awf h PRO 166 N 0.43 0.06 0.00 0.04 0.13 -2.00 -0.19 132.00 130.47 1awf h PRO 166 Ca 0.22 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.27 1awf h PRO 166 Cb 0.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1awf h PRO 166 CO -0.18 0.04 -0.38 -0.39 -0.23 0.00 0.00 178.00 176.86 1awf h VAL 167 N 0.06 1.13 -0.35 1.56 -1.51 -1.85 -1.44 116.25 113.84 1awf h VAL 167 Ca 0.38 -1.37 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1awf h VAL 167 Cb 0.65 1.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.56 1awf h VAL 167 CO -0.69 0.37 0.20 0.00 -1.23 0.00 0.00 177.57 176.23 1awf h LYS 169 N 0.45 0.27 0.00 0.00 2.10 -0.72 -3.05 116.57 115.62 1awf h LYS 169 Ca 0.13 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1awf h LYS 169 Cb 0.04 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1awf h LYS 169 CO -0.02 0.69 0.00 -0.25 -2.00 0.00 0.00 179.45 177.87 1awf n ASP 170 N -3.97 0.00 -0.33 7.07 8.00 -0.58 -2.88 116.55 123.87 1awf n ASP 170 Ca -0.02 -0.71 0.10 0.00 0.71 0.00 0.00 54.79 54.88 1awf n ASP 170 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 1awf n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1awf n SER 171 N -0.99 1.65 -3.93 -2.24 3.41 -1.13 -4.99 113.62 105.40 1awf n SER 171 Ca 0.16 -1.33 -0.09 0.00 -0.26 0.00 0.00 58.87 57.36 1awf n SER 171 Cb 0.08 0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 64.60 1awf n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1awf s THR 172 N -2.56 0.11 -0.80 6.66 -1.32 -1.14 -4.87 115.64 111.73 1awf s THR 172 Ca 0.14 -1.35 0.23 0.00 -1.21 0.00 0.00 61.69 59.50 1awf s THR 172 Cb 0.17 -1.60 -0.15 0.00 -1.51 0.00 0.00 72.50 69.41 1awf s THR 172 CO 0.64 -0.51 1.02 0.54 -2.21 0.00 0.00 174.62 174.10 1awf n ARG 173 N -0.12 0.14 -2.33 7.08 1.74 -1.26 -4.93 116.66 116.99 1awf n ARG 173 Ca -0.11 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.57 1awf n ARG 173 Cb 0.63 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1awf n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1awf s ILE 174 N -3.10 3.21 -0.32 0.55 -1.09 -1.26 -4.96 121.20 114.22 1awf s ILE 174 Ca 0.06 1.06 -0.28 0.00 -2.23 0.00 0.00 60.65 59.26 1awf s ILE 174 Cb 0.16 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1awf s ILE 174 CO 0.81 0.14 1.87 -0.60 -1.23 0.00 0.00 174.94 175.93 1awf s ARG 175 N -2.12 3.27 -0.25 2.79 3.52 -1.26 -4.98 118.95 119.91 1awf s ARG 175 Ca 0.54 1.49 -0.29 0.00 -0.13 0.00 0.00 55.73 57.34 1awf s ARG 175 Cb -0.31 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 28.85 1awf s ARG 175 CO 0.39 -1.94 1.20 0.42 -0.81 0.00 0.00 175.30 174.57 1awf s ILE 176 N 7.23 4.35 0.65 4.11 -1.09 -1.26 -4.88 121.20 130.31 1awf s ILE 176 Ca 0.83 1.58 0.05 0.00 -2.23 0.00 0.00 60.65 60.88 1awf s ILE 176 Cb -0.24 -4.19 0.11 0.00 -1.58 0.00 0.00 42.46 36.57 1awf s ILE 176 CO 0.33 -0.33 0.90 0.42 -1.23 0.00 0.00 174.94 175.03 1awf s THR 177 N 3.78 2.08 0.08 2.92 -4.23 -1.26 -5.00 115.64 114.00 1awf s THR 177 Ca 0.51 -0.83 0.31 0.00 -1.18 0.00 0.00 61.69 60.51 1awf s THR 177 Cb -0.17 -2.25 0.36 0.00 1.34 0.00 0.00 72.50 71.78 1awf s THR 177 CO 0.16 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.61 1awf h ASP 178 N -0.17 0.00 0.00 3.99 3.32 -2.03 -3.00 116.42 118.52 1awf h ASP 178 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1awf h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1awf h ASP 178 CO 0.39 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.55 1awf n ASN 179 N -3.16 0.43 -4.19 6.45 3.02 -1.26 -4.82 115.26 111.73 1awf n ASN 179 Ca 0.01 -1.87 -0.14 0.00 -0.03 0.00 0.00 54.58 52.54 1awf n ASN 179 Cb 0.35 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 39.19 1awf n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1awf s MET 180 N -1.54 0.89 0.14 3.52 -1.94 -1.14 -0.95 119.30 118.28 1awf s MET 180 Ca 0.00 -1.21 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 1awf s MET 180 Cb 0.00 -0.56 -0.04 0.00 2.01 0.00 0.00 34.83 36.23 1awf s MET 180 CO 0.00 0.08 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.50 1awf s PHE 181 N -2.57 1.05 0.13 -0.03 -0.71 -0.38 -4.80 117.98 110.67 1awf s PHE 181 Ca 0.07 -1.03 0.09 0.00 -1.04 0.00 0.00 56.93 55.03 1awf s PHE 181 Cb -0.02 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 1awf s PHE 181 CO 0.00 -0.25 -0.18 0.00 -1.34 0.00 0.00 175.22 173.46 1awf s ALA 183 N -1.25 1.09 0.00 0.00 0.00 0.12 -2.06 121.76 119.66 1awf s ALA 183 Ca 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1awf s ALA 183 Cb -0.10 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1awf s ALA 183 CO 0.11 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1awf n GLY 184 N 0.60 3.30 3.82 0.00 0.00 -0.22 -1.46 105.19 111.23 1awf n GLY 184 Ca -0.16 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 1awf n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1awf s TYR 184 N -2.00 3.50 0.49 1.61 2.02 -1.26 -4.42 117.35 117.29 1awf s TYR 184 Ca 0.00 1.48 -0.20 0.00 -0.37 0.00 0.00 57.07 57.98 1awf s TYR 184 Cb 0.00 -2.72 -0.08 0.00 -0.40 0.00 0.00 41.96 38.76 1awf s TYR 184 CO 0.00 0.13 1.03 0.15 -1.57 0.00 0.00 175.55 175.30 1awf s LYS 185 N -2.56 3.80 0.56 -0.62 1.02 -1.26 -4.79 119.74 115.88 1awf s LYS 185 Ca 0.52 1.33 0.26 0.00 0.02 0.00 0.00 55.97 58.10 1awf s LYS 185 Cb -0.13 -2.10 1.48 0.00 -0.52 0.00 0.00 37.83 36.56 1awf s LYS 185 CO 0.19 -0.43 2.04 -1.00 -0.92 0.00 0.00 175.35 175.23 1awf h PRO 186 N 1.50 0.00 0.00 -1.68 0.13 -1.94 0.87 132.00 130.88 1awf h PRO 186 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1awf h PRO 186 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1awf h PRO 186 CO 0.59 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 1awf n ASP 186 N -4.12 0.00 0.01 1.44 5.68 -1.26 -4.22 116.55 114.08 1awf n ASP 186 Ca 0.05 -0.46 0.11 0.00 -0.50 0.00 0.00 54.79 54.00 1awf n ASP 186 Cb 0.46 -0.17 0.13 0.00 -1.14 0.00 0.00 41.12 40.40 1awf n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1awf n GLU 186 N -1.17 0.05 0.00 0.11 1.02 0.30 -4.95 120.64 116.01 1awf n GLU 186 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1awf n GLU 186 Cb 0.18 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1awf n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1awf n GLY 186 N 1.47 1.82 3.78 0.62 0.00 -1.26 -4.91 105.19 106.70 1awf n GLY 186 Ca 0.05 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1awf n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awf s LYS 186 N 0.00 2.74 0.00 1.61 1.02 -1.26 -5.07 119.74 118.77 1awf s LYS 186 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.25 1awf s LYS 186 Cb 0.00 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1awf s LYS 186 CO 0.00 -1.28 0.00 2.89 -0.92 0.00 0.00 175.35 176.04 1awf n ARG 187 N -2.73 0.00 0.00 1.68 1.85 -1.26 -4.83 116.66 111.37 1awf n ARG 187 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1awf n ARG 187 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1awf n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1awf n GLY 188 N 0.00 4.28 3.62 2.89 0.00 -1.26 -4.91 105.19 109.80 1awf n GLY 188 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 1awf n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1awf s ASP 189 N 0.00 -0.23 1.08 1.61 2.15 -0.64 -4.67 116.67 115.97 1awf s ASP 189 Ca 0.00 -0.15 -0.16 0.00 0.43 0.00 0.00 52.55 52.67 1awf s ASP 189 Cb 0.00 0.35 0.23 0.00 -0.30 0.00 0.00 42.92 43.20 1awf s ASP 189 CO 0.00 -0.62 1.13 0.00 -0.17 0.00 0.00 175.17 175.52 1awf s ALA 190 N -2.98 1.05 0.31 3.66 0.00 -1.26 0.84 121.76 123.38 1awf s ALA 190 Ca 0.09 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1awf s ALA 190 Cb -0.00 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.21 1awf s ALA 190 CO -0.04 -3.07 0.81 0.00 0.00 0.00 0.00 175.76 173.47 1awf n GLU 192 N -0.52 1.08 0.00 0.00 2.13 -1.26 -1.34 120.64 120.72 1awf n GLU 192 Ca -0.06 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1awf n GLU 192 Cb 0.60 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.60 1awf n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1awf n GLY 193 N 1.39 2.89 0.17 8.31 0.00 -1.26 -0.66 105.19 116.03 1awf n GLY 193 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1awf n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1awf h ASP 194 N 0.00 0.00 -2.33 1.61 3.32 -1.55 -3.26 116.42 114.21 1awf h ASP 194 Ca 0.00 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 1awf h ASP 194 Cb 0.00 0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.71 1awf h ASP 194 CO 0.00 0.01 -0.56 -1.20 -1.72 0.00 0.00 179.24 175.77 1awf n SER 195 N -2.81 -1.48 0.00 6.45 7.64 -1.26 -2.41 113.62 119.75 1awf n SER 195 Ca 0.04 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1awf n SER 195 Cb 0.50 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1awf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1awf n GLY 196 N 1.94 2.62 3.50 0.23 0.00 -0.48 0.10 105.19 113.10 1awf n GLY 196 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1awf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1awf n GLY 197 N -2.00 -0.15 3.73 -0.02 0.00 -1.01 -3.23 105.19 102.50 1awf n GLY 197 Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1awf n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1awf s PRO 198 N -5.14 4.67 -0.25 1.61 0.04 -1.26 -0.54 135.00 134.12 1awf s PRO 198 Ca 0.63 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 1awf s PRO 198 Cb -0.03 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1awf s PRO 198 CO 0.43 0.17 0.08 0.12 0.04 0.00 0.00 177.00 177.84 1awf s PHE 199 N -0.11 3.09 0.08 0.56 2.19 0.07 -3.52 117.98 120.35 1awf s PHE 199 Ca 0.48 -0.43 0.07 0.00 0.33 0.00 0.00 56.93 57.38 1awf s PHE 199 Cb -0.26 -2.25 -0.03 0.00 -1.31 0.00 0.00 43.02 39.17 1awf s PHE 199 CO 0.32 -0.36 -0.19 0.14 1.83 0.00 0.00 175.22 176.95 1awf s VAL 200 N 1.62 1.53 0.11 3.12 -7.23 0.16 -1.21 120.40 118.50 1awf s VAL 200 Ca 0.06 -1.39 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 1awf s VAL 200 Cb -0.15 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1awf s VAL 200 CO 0.04 -0.04 -0.18 -0.04 -0.31 0.00 0.00 175.10 174.57 1awf s MET 201 N -1.69 1.08 -0.28 4.82 -1.94 -0.48 -0.74 119.30 120.08 1awf s MET 201 Ca 0.04 -1.19 -0.13 0.00 -1.71 0.00 0.00 55.69 52.70 1awf s MET 201 Cb -0.10 -1.19 -0.04 0.00 2.01 0.00 0.00 34.83 35.52 1awf s MET 201 CO 0.03 0.26 0.30 0.21 -0.01 0.00 0.00 175.02 175.81 1awf s LYS 202 N -2.21 3.97 0.24 2.03 2.20 -1.26 -0.81 119.74 123.90 1awf s LYS 202 Ca 0.07 -0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 1awf s LYS 202 Cb -0.08 -3.66 -0.11 0.00 -1.51 0.00 0.00 37.83 32.47 1awf s LYS 202 CO 0.04 -0.24 1.57 0.45 -0.36 0.00 0.00 175.35 176.80 1awf s SER 203 N 1.69 6.50 0.00 1.43 0.15 0.23 -4.89 113.70 118.81 1awf s SER 203 Ca 0.12 2.79 0.30 0.00 0.70 0.00 0.00 55.95 59.85 1awf s SER 203 Cb -0.16 -2.62 1.54 0.00 -1.71 0.00 0.00 66.02 63.07 1awf s SER 203 CO 0.10 -0.85 2.06 -0.81 1.20 0.00 0.00 173.24 174.95 1awf n PRO 204 N 2.90 0.51 -0.08 5.44 -0.04 -1.26 -2.24 135.00 140.22 1awf n PRO 204 Ca 0.10 -0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1awf n PRO 204 Cb 0.38 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1awf n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1awf n PHE 204 N -1.23 1.06 -0.36 0.54 3.72 -1.26 -4.59 117.46 115.35 1awf n PHE 204 Ca 0.15 0.40 0.05 0.00 -0.05 0.00 0.00 57.45 58.01 1awf n PHE 204 Cb 0.23 -1.11 0.13 0.00 -0.94 0.00 0.00 39.48 37.79 1awf n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1awf n ASN 204 N -4.24 2.83 -1.92 4.37 2.04 -1.26 -5.00 115.26 112.07 1awf n ASN 204 Ca -0.32 -2.28 -0.11 0.00 -0.44 0.00 0.00 54.58 51.43 1awf n ASN 204 Cb 0.76 -0.25 -0.02 0.00 -2.53 0.00 0.00 39.78 37.73 1awf n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1awf n ASN 205 N -0.09 -3.26 -4.91 0.53 4.13 -0.95 -4.99 115.26 105.72 1awf n ASN 205 Ca 0.11 0.25 -0.29 0.00 1.68 0.00 0.00 54.58 56.32 1awf n ASN 205 Cb 0.49 -2.93 -0.04 0.00 -1.54 0.00 0.00 39.78 35.76 1awf n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1awf s ARG 206 N -4.04 3.39 -0.05 3.52 0.52 -1.25 -4.78 118.95 116.25 1awf s ARG 206 Ca 0.00 -0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 54.45 1awf s ARG 206 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1awf s ARG 206 CO 0.00 0.58 0.75 -1.58 0.02 0.00 0.00 175.30 175.07 1awf s TRP 207 N -1.58 3.60 -0.04 -0.53 0.52 -1.26 0.77 118.94 120.42 1awf s TRP 207 Ca 0.34 1.34 0.07 0.00 0.02 0.00 0.00 56.10 57.87 1awf s TRP 207 Cb -0.12 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.32 1awf s TRP 207 CO 0.28 0.07 -0.24 0.71 0.02 0.00 0.00 176.95 177.79 1awf s TYR 208 N 0.82 2.25 -0.47 -1.98 1.51 0.01 -1.48 117.35 118.01 1awf s TYR 208 Ca 0.40 -0.55 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 1awf s TYR 208 Cb -0.18 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1awf s TYR 208 CO 0.20 -0.13 1.05 -1.14 -1.11 0.00 0.00 175.55 174.43 1awf s GLN 209 N -0.34 3.65 0.07 -0.62 0.74 0.19 -1.38 119.66 121.97 1awf s GLN 209 Ca 0.03 0.40 0.18 0.00 0.05 0.00 0.00 55.36 56.02 1awf s GLN 209 Cb -0.11 -3.91 -0.13 0.00 1.10 0.00 0.00 33.01 29.95 1awf s GLN 209 CO 0.01 -1.32 0.81 -1.33 -0.55 0.00 0.00 175.29 172.92 1awf n MET 210 N 7.57 0.62 -4.08 1.67 2.81 -0.35 -4.27 117.12 121.09 1awf n MET 210 Ca 0.10 0.18 -0.07 0.00 -1.81 0.00 0.00 57.70 56.09 1awf n MET 210 Cb 0.49 -1.79 -0.10 0.00 -0.71 0.00 0.00 33.22 31.11 1awf n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1awf s GLY 211 N -4.74 0.46 -0.11 3.03 0.00 -0.85 -2.03 107.32 103.08 1awf s GLY 211 Ca -0.03 -1.18 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 1awf s GLY 211 CO 0.81 -1.30 -0.09 -0.42 0.00 0.00 0.00 173.10 172.11 1awf s ILE 212 N -3.89 3.45 0.01 0.90 1.01 -0.93 -0.75 121.20 121.01 1awf s ILE 212 Ca 0.07 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1awf s ILE 212 Cb 0.08 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 1awf s ILE 212 CO -0.10 0.54 2.00 0.52 0.00 0.00 0.00 174.94 177.91 1awf n VAL 213 N 3.05 0.73 0.03 2.92 0.31 0.30 -0.84 118.33 124.85 1awf n VAL 213 Ca -0.18 -0.17 -0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1awf n VAL 213 Cb 0.53 -2.35 -0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1awf n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1awf n SER 214 N 7.98 0.90 -3.58 4.52 2.88 -0.29 -1.38 113.62 124.66 1awf n SER 214 Ca 0.21 0.12 -0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1awf n SER 214 Cb 0.41 -0.29 -0.05 0.00 -0.75 0.00 0.00 64.21 63.54 1awf n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1awf s TRP 215 N -1.82 -0.37 0.26 0.66 1.48 -0.43 -4.90 118.94 113.82 1awf s TRP 215 Ca -0.01 0.31 -0.17 0.00 -1.06 0.00 0.00 56.10 55.17 1awf s TRP 215 Cb 0.00 0.33 0.01 0.00 -1.16 0.00 0.00 33.47 32.65 1awf s TRP 215 CO 0.02 -0.67 0.60 0.20 -4.06 0.00 0.00 176.95 173.04 1awf s GLY 216 N -2.21 0.24 -0.40 3.67 0.00 -1.26 0.70 107.32 108.06 1awf s GLY 216 Ca -0.03 -0.61 -0.11 0.00 0.00 0.00 0.00 44.72 43.97 1awf s GLY 216 CO -0.05 -0.37 0.24 -0.54 0.00 0.00 0.00 173.10 172.38 1awf s GLU 217 N -3.95 2.77 2.21 2.90 2.02 -1.26 -4.95 118.70 118.44 1awf s GLU 217 Ca 0.17 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1awf s GLU 217 Cb -0.03 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.42 1awf s GLU 217 CO 0.08 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1awf n GLY 219 N 4.99 -0.84 2.87 -1.39 0.00 -1.26 -4.70 105.19 104.86 1awf n GLY 219 Ca -0.11 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 1awf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awf n ASP 221 N 5.16 -4.92 -4.71 0.00 2.03 -1.26 -4.56 116.55 108.29 1awf n ASP 221 Ca -0.08 -0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.76 1awf n ASP 221 Cb 0.50 -3.98 -0.03 0.00 -0.72 0.00 0.00 41.12 36.89 1awf n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1awf s ARG 221 N -4.94 4.56 0.15 -0.67 0.52 -1.26 -4.93 118.95 112.38 1awf s ARG 221 Ca 0.04 1.49 -0.33 0.00 -0.52 0.00 0.00 55.73 56.41 1awf s ARG 221 Cb -0.02 -3.42 -0.17 0.00 0.52 0.00 0.00 34.95 31.86 1awf s ARG 221 CO 0.06 -0.04 1.08 -0.25 0.02 0.00 0.00 175.30 176.17 1awf n ASP 222 N 3.69 0.85 -0.01 0.23 9.92 -1.26 -1.02 116.55 128.96 1awf n ASP 222 Ca 0.06 1.14 -0.00 0.00 -0.53 0.00 0.00 54.79 55.46 1awf n ASP 222 Cb 0.50 -1.14 -0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1awf n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1awf n GLY 223 N 1.95 0.01 3.87 0.44 0.00 -1.26 -4.99 105.19 105.21 1awf n GLY 223 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1awf n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awf s LYS 224 N -1.80 3.14 0.14 1.61 -0.14 -0.19 -4.80 119.74 117.70 1awf s LYS 224 Ca 0.00 -0.82 0.03 0.00 -1.36 0.00 0.00 55.97 53.82 1awf s LYS 224 Cb 0.00 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.35 1awf s LYS 224 CO 0.00 0.46 -0.08 0.71 -0.76 0.00 0.00 175.35 175.68 1awf s TYR 225 N -1.88 1.16 0.09 3.18 2.02 -1.26 -4.76 117.35 115.90 1awf s TYR 225 Ca 0.33 -0.83 -0.13 0.00 -0.37 0.00 0.00 57.07 56.08 1awf s TYR 225 Cb -0.10 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.78 1awf s TYR 225 CO 0.26 -0.01 0.47 0.20 -1.57 0.00 0.00 175.55 174.90 1awf s GLY 226 N -3.14 2.42 -0.09 0.71 0.00 -0.54 -4.39 107.32 102.29 1awf s GLY 226 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1awf s GLY 226 CO -0.01 0.03 -0.09 -1.36 0.00 0.00 0.00 173.10 171.68 1awf s PHE 227 N -1.37 2.88 -0.01 1.90 0.40 0.22 -0.70 117.98 121.30 1awf s PHE 227 Ca 0.33 -0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.53 1awf s PHE 227 Cb -0.15 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1awf s PHE 227 CO 0.18 0.14 -0.20 0.71 0.70 0.00 0.00 175.22 176.75 1awf s TYR 228 N -0.37 1.78 0.12 0.36 1.51 0.68 -1.13 117.35 120.30 1awf s TYR 228 Ca 0.05 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.46 1awf s TYR 228 Cb -0.12 -1.13 -0.10 0.00 -0.11 0.00 0.00 41.96 40.50 1awf s TYR 228 CO 0.02 -0.02 1.68 0.99 -1.11 0.00 0.00 175.55 177.11 1awf s THR 229 N -0.50 2.70 -0.64 -0.71 2.01 -0.02 -1.25 115.64 117.23 1awf s THR 229 Ca 0.08 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 1awf s THR 229 Cb -0.08 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.25 1awf s THR 229 CO -0.00 0.01 1.33 -2.28 -0.69 0.00 0.00 174.62 172.98 1awf s HIS 230 N 2.10 2.33 0.11 4.92 2.46 -0.12 -2.19 115.29 124.90 1awf s HIS 230 Ca 0.75 0.27 -0.14 0.00 0.47 0.00 0.00 55.06 56.40 1awf s HIS 230 Cb -0.43 -4.50 -0.07 0.00 -0.13 0.00 0.00 32.58 27.44 1awf s HIS 230 CO 0.33 -1.93 1.45 0.28 -2.47 0.00 0.00 174.74 172.39 1awf h VAL 231 N 6.21 1.29 -0.68 0.89 2.07 -1.72 -2.87 116.25 121.45 1awf h VAL 231 Ca -0.27 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 65.93 1awf h VAL 231 Cb 1.07 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 1awf h VAL 231 CO 1.22 0.46 0.32 0.15 0.02 0.00 0.00 177.57 179.74 1awf h PHE 232 N 0.50 0.58 -0.05 1.57 3.57 -1.86 -2.29 116.94 118.96 1awf h PHE 232 Ca 0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1awf h PHE 232 Cb 0.82 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1awf h PHE 232 CO 0.07 0.21 0.05 0.00 -2.23 0.00 0.00 178.31 176.40 1awf h ARG 233 N 0.56 0.00 -0.64 1.11 3.08 -1.89 -1.59 114.38 115.02 1awf h ARG 233 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1awf h ARG 233 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1awf h ARG 233 CO -0.27 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.91 1awf n LEU 234 N -4.12 4.03 -0.06 3.04 7.99 -0.89 -4.63 117.00 122.37 1awf n LEU 234 Ca -0.02 -2.04 -0.07 0.00 -0.01 0.00 0.00 56.01 53.87 1awf n LEU 234 Cb 0.14 -0.54 0.11 0.00 -0.11 0.00 0.00 43.42 43.02 1awf n LEU 234 CO 0.30 0.64 0.69 0.50 -1.51 0.00 0.00 177.39 178.02 1awf h LYS 235 N 3.23 0.71 -0.64 3.23 3.64 -0.94 -2.16 116.57 123.64 1awf h LYS 235 Ca 0.00 -0.29 0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1awf h LYS 235 Cb 1.29 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.96 1awf h LYS 235 CO 0.22 0.89 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.84 1awf h LYS 236 N 0.61 -0.06 -0.72 1.90 3.64 -1.82 0.28 116.57 120.41 1awf h LYS 236 Ca 0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1awf h LYS 236 Cb 0.75 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1awf h LYS 236 CO 0.06 -0.04 0.31 2.35 -2.27 0.00 0.00 179.45 179.86 1awf h TRP 237 N -0.07 1.05 -0.18 1.91 7.01 -1.83 0.14 115.95 123.99 1awf h TRP 237 Ca 0.29 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 1awf h TRP 237 Cb 0.52 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1awf h TRP 237 CO -0.58 0.78 0.11 0.82 -2.79 0.00 0.00 178.44 176.78 1awf h ILE 238 N 1.03 1.08 -0.53 2.65 2.04 -0.51 -1.85 117.51 121.42 1awf h ILE 238 Ca 0.24 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1awf h ILE 238 Cb 0.16 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1awf h ILE 238 CO -0.03 0.07 0.35 1.56 0.00 0.00 0.00 178.15 180.11 1awf h GLN 239 N 0.21 0.69 -0.58 2.37 4.20 -0.38 -0.99 115.11 120.63 1awf h GLN 239 Ca 0.06 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.83 1awf h GLN 239 Cb 0.03 -0.16 -0.11 0.00 0.30 0.00 0.00 27.48 27.54 1awf h GLN 239 CO -0.01 0.45 -0.37 0.87 -0.67 0.00 0.00 178.83 179.11 1awf h LYS 240 N 0.71 -0.18 -0.04 1.46 1.57 -0.61 -0.37 116.57 119.11 1awf h LYS 240 Ca 0.20 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 1awf h LYS 240 Cb -0.07 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1awf h LYS 240 CO -0.05 -0.12 -0.68 -0.24 -0.57 0.00 0.00 179.45 177.79 1awf h VAL 241 N -0.19 1.43 -0.02 0.50 3.04 -0.89 -2.95 116.25 117.17 1awf h VAL 241 Ca 0.21 -2.19 -0.18 0.00 -1.01 0.00 0.00 66.70 63.54 1awf h VAL 241 Cb 0.56 2.15 0.01 0.00 -2.01 0.00 0.00 31.29 32.01 1awf h VAL 241 CO -0.68 0.64 -0.69 0.16 -1.01 0.00 0.00 177.57 176.00 1awf h ILE 242 N 0.13 1.39 -0.30 3.17 3.07 -1.05 -0.88 117.51 123.04 1awf h ILE 242 Ca -0.02 -2.08 0.05 0.00 1.55 0.00 0.00 64.86 64.36 1awf h ILE 242 Cb 1.22 2.49 -0.05 0.00 -0.27 0.00 0.00 36.82 40.22 1awf h ILE 242 CO 0.10 0.62 0.02 0.44 -1.05 0.00 0.00 178.15 178.28 1awf h ASP 243 N 0.04 -0.08 -0.10 2.16 3.32 -1.17 -2.45 116.42 118.13 1awf h ASP 243 Ca -0.08 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1awf h ASP 243 Cb 1.38 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1awf h ASP 243 CO 0.14 -0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1awf n GLN 244 N -5.14 1.49 -3.73 3.56 -0.00 -1.11 -4.27 117.38 108.17 1awf n GLN 244 Ca 0.00 -0.73 -0.27 0.00 -0.00 0.00 0.00 57.00 56.00 1awf n GLN 244 Cb 0.15 -1.37 -0.17 0.00 -0.00 0.00 0.00 30.24 28.85 1awf n GLN 244 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1awf s PHE 245 N -1.87 0.92 0.00 2.61 2.19 -0.33 -5.07 117.98 116.43 1awf s PHE 245 Ca 0.31 -0.74 0.00 0.00 0.33 0.00 0.00 56.93 56.83 1awf s PHE 245 Cb 0.16 -0.98 0.00 0.00 -1.31 0.00 0.00 43.02 40.90 1awf s PHE 245 CO 0.25 -0.57 0.00 0.41 1.83 0.00 0.00 175.22 177.14