#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9i s ILE 2 N 0.00 4.76 -0.15 1.12 1.01 -1.26 -4.90 121.20 121.79 3f9i s ILE 2 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.84 3f9i s ILE 2 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.22 3f9i s ILE 2 CO 0.00 -0.67 -0.20 -0.62 0.00 0.00 0.00 174.94 173.45 3f9i s ASP 3 N 2.12 2.99 -0.15 3.58 2.15 -1.26 -4.95 116.67 121.14 3f9i s ASP 3 Ca 0.24 -0.58 0.16 0.00 0.43 0.00 0.00 52.55 52.80 3f9i s ASP 3 Cb -0.14 -1.38 0.52 0.00 -0.30 0.00 0.00 42.92 41.62 3f9i s ASP 3 CO 0.20 0.04 1.42 0.18 -0.17 0.00 0.00 175.17 176.84 3f9i n LEU 4 N 4.27 3.87 -4.72 -1.34 4.77 0.89 -4.75 117.00 119.99 3f9i n LEU 4 Ca -0.20 -2.83 -0.42 0.00 -0.03 0.00 0.00 56.01 52.53 3f9i n LEU 4 Cb 0.51 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3f9i n LEU 4 CO 0.26 0.68 1.38 0.41 -1.33 0.00 0.00 177.39 178.80 3f9i n THR 5 N -0.23 0.02 0.00 -5.08 -1.04 -1.17 -1.67 114.28 105.11 3f9i n THR 5 Ca 0.20 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3f9i n THR 5 Cb 0.84 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3f9i n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3f9i n GLY 6 N 3.99 1.86 3.90 3.41 0.00 -1.24 -4.99 105.19 112.12 3f9i n GLY 6 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3f9i n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f9i s LYS 7 N -0.92 3.67 -0.16 1.61 -0.14 -0.67 -4.94 119.74 118.19 3f9i s LYS 7 Ca 0.00 0.15 -0.00 0.00 -1.36 0.00 0.00 55.97 54.76 3f9i s LYS 7 Cb 0.00 -2.56 -0.00 0.00 -1.68 0.00 0.00 37.83 33.59 3f9i s LYS 7 CO 0.00 0.12 -0.15 0.99 -0.76 0.00 0.00 175.35 175.55 3f9i s THR 8 N -2.21 2.71 0.03 2.17 2.01 -1.26 -0.41 115.64 118.70 3f9i s THR 8 Ca 0.46 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.76 3f9i s THR 8 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3f9i s THR 8 CO 0.31 0.51 -0.12 -0.44 -0.69 0.00 0.00 174.62 174.19 3f9i s SER 9 N 0.83 4.26 -0.16 3.53 0.01 -0.11 -0.49 113.70 121.57 3f9i s SER 9 Ca -0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3f9i s SER 9 Cb -0.15 -0.85 -0.00 0.00 0.21 0.00 0.00 66.02 65.22 3f9i s SER 9 CO -0.00 0.26 -0.15 -0.22 0.41 0.00 0.00 173.24 173.53 3f9i s LEU 10 N -1.55 2.46 -0.20 2.44 2.96 0.57 0.31 118.68 125.68 3f9i s LEU 10 Ca 0.17 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3f9i s LEU 10 Cb -0.11 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.03 3f9i s LEU 10 CO 0.08 0.08 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.42 3f9i s ILE 11 N 0.84 2.64 0.51 6.68 1.09 -0.27 0.07 121.20 132.76 3f9i s ILE 11 Ca -0.05 -0.74 -0.04 0.00 -1.10 0.00 0.00 60.65 58.72 3f9i s ILE 11 Cb -0.15 -2.16 -0.01 0.00 -1.06 0.00 0.00 42.46 39.08 3f9i s ILE 11 CO -0.01 0.49 0.80 0.42 -0.10 0.00 0.00 174.94 176.54 3f9i s THR 12 N 1.34 4.28 -1.61 2.92 -4.23 0.01 -1.05 115.64 117.29 3f9i s THR 12 Ca 0.05 -0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 3f9i s THR 12 Cb -0.14 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.18 3f9i s THR 12 CO -0.08 -0.60 0.82 0.61 -0.54 0.00 0.00 174.62 174.83 3f9i n GLY 13 N -2.33 -0.44 0.09 3.99 0.00 -0.97 -3.68 105.19 101.85 3f9i n GLY 13 Ca 0.02 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3f9i n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9i n ALA 14 N -4.49 1.67 1.22 4.61 0.00 -0.06 -2.46 120.51 121.00 3f9i n ALA 14 Ca 0.02 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3f9i n ALA 14 Cb 0.52 -1.34 0.32 0.00 0.00 0.00 0.00 19.45 18.95 3f9i n ALA 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f9i n SER 15 N -2.00 1.28 -4.67 0.00 3.41 -1.26 -1.83 113.62 108.55 3f9i n SER 15 Ca 0.03 -1.08 -0.30 0.00 -0.26 0.00 0.00 58.87 57.27 3f9i n SER 15 Cb 0.21 0.18 0.16 0.00 -0.26 0.00 0.00 64.21 64.51 3f9i n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f9i s SER 16 N -2.44 2.89 0.33 4.04 1.04 -1.03 -4.72 113.70 113.81 3f9i s SER 16 Ca 0.25 1.58 0.07 0.00 0.48 0.00 0.00 55.95 58.33 3f9i s SER 16 Cb 0.19 -2.24 0.59 0.00 0.10 0.00 0.00 66.02 64.66 3f9i s SER 16 CO 0.51 -3.02 1.80 1.23 0.98 0.00 0.00 173.24 174.74 3f9i h GLY 17 N -1.81 0.32 0.37 7.32 0.00 -1.90 0.12 103.07 107.49 3f9i h GLY 17 Ca -0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 3f9i h GLY 17 CO 0.52 0.22 -0.02 -2.22 0.00 0.00 0.00 176.54 175.04 3f9i h ILE 18 N 0.27 1.35 -0.55 2.60 2.04 -1.91 -2.14 117.51 119.16 3f9i h ILE 18 Ca 0.04 -1.39 0.11 0.00 1.00 0.00 0.00 64.86 64.62 3f9i h ILE 18 Cb 0.58 2.25 -0.10 0.00 -0.74 0.00 0.00 36.82 38.82 3f9i h ILE 18 CO 0.04 0.34 -0.07 1.23 0.00 0.00 0.00 178.15 179.70 3f9i h GLY 19 N -0.68 0.49 2.00 5.37 0.00 -1.69 -0.61 103.07 107.94 3f9i h GLY 19 Ca -0.01 0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 3f9i h GLY 19 CO 0.01 -0.19 -0.63 1.48 0.00 0.00 0.00 176.54 177.21 3f9i h SER 20 N 0.05 0.00 -0.40 0.19 4.64 -0.19 -0.19 113.55 117.66 3f9i h SER 20 Ca 0.28 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.44 3f9i h SER 20 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3f9i h SER 20 CO -0.52 0.63 -0.35 0.00 -0.87 0.00 0.00 176.83 175.72 3f9i h ALA 21 N 1.37 0.60 -0.01 5.18 0.00 -0.86 -1.49 119.26 124.06 3f9i h ALA 21 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3f9i h ALA 21 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3f9i h ALA 21 CO 0.08 0.68 0.01 0.82 0.00 0.00 0.00 179.25 180.84 3f9i h ILE 22 N 0.79 1.06 -0.60 0.00 2.04 -0.86 -2.15 117.51 117.78 3f9i h ILE 22 Ca 0.07 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3f9i h ILE 22 Cb 0.94 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3f9i h ILE 22 CO 0.09 0.04 0.35 0.00 0.00 0.00 0.00 178.15 178.63 3f9i h ALA 23 N 0.94 0.78 -0.62 1.87 0.00 -0.83 -0.66 119.26 120.75 3f9i h ALA 23 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3f9i h ALA 23 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3f9i h ALA 23 CO -0.00 0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.36 3f9i h ARG 24 N 0.67 1.03 -0.07 0.00 3.08 -1.23 -1.45 114.38 116.41 3f9i h ARG 24 Ca 0.25 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3f9i h ARG 24 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3f9i h ARG 24 CO -0.13 0.97 -0.08 1.25 -1.07 0.00 0.00 179.97 180.91 3f9i h LEU 25 N 0.96 0.19 -1.39 3.04 5.85 -0.67 0.29 115.31 123.57 3f9i h LEU 25 Ca 0.18 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3f9i h LEU 25 Cb 0.47 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3f9i h LEU 25 CO 0.02 0.64 0.11 -0.07 -0.34 0.00 0.00 178.44 178.80 3f9i h LEU 26 N -0.27 0.47 -0.16 2.25 3.38 -1.13 0.33 115.31 120.18 3f9i h LEU 26 Ca 0.01 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3f9i h LEU 26 Cb 0.59 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3f9i h LEU 26 CO 0.02 0.46 -0.24 -0.74 0.09 0.00 0.00 178.44 178.03 3f9i h HIS 27 N 0.51 0.54 0.00 1.13 2.76 -1.02 0.16 115.15 119.23 3f9i h HIS 27 Ca 0.12 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3f9i h HIS 27 Cb 0.16 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 3f9i h HIS 27 CO 0.01 0.86 -0.01 -0.22 -1.30 0.00 0.00 177.93 177.27 3f9i h LYS 28 N 0.06 0.00 -0.16 5.26 3.64 0.17 0.36 116.57 125.90 3f9i h LYS 28 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3f9i h LYS 28 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3f9i h LYS 28 CO 0.05 0.01 0.00 1.28 -2.27 0.00 0.00 179.45 178.52 3f9i n LEU 29 N -4.23 1.10 0.00 5.20 4.77 0.05 -4.90 117.00 118.99 3f9i n LEU 29 Ca -0.03 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3f9i n LEU 29 Cb 0.09 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3f9i n LEU 29 CO 0.31 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3f9i n GLY 30 N 0.92 0.56 3.77 -0.72 0.00 0.12 -0.08 105.19 109.75 3f9i n GLY 30 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3f9i n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f9i s SER 31 N -2.89 7.46 0.28 1.61 0.15 0.02 -3.73 113.70 116.60 3f9i s SER 31 Ca 0.00 1.90 -0.29 0.00 0.70 0.00 0.00 55.95 58.26 3f9i s SER 31 Cb 0.00 -2.59 -0.10 0.00 -1.71 0.00 0.00 66.02 61.62 3f9i s SER 31 CO 0.00 0.02 1.09 -0.54 1.20 0.00 0.00 173.24 175.01 3f9i s LYS 32 N -1.66 4.65 -0.04 5.44 1.02 0.46 -4.20 119.74 125.41 3f9i s LYS 32 Ca 0.46 1.79 0.05 0.00 0.02 0.00 0.00 55.97 58.28 3f9i s LYS 32 Cb -0.22 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3f9i s LYS 32 CO 0.28 0.23 -0.18 0.14 -0.92 0.00 0.00 175.35 174.89 3f9i s VAL 33 N -1.15 1.53 -0.33 3.17 -7.23 -0.79 -0.94 120.40 114.66 3f9i s VAL 33 Ca 0.44 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.75 3f9i s VAL 33 Cb -0.32 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.33 3f9i s VAL 33 CO 0.40 0.44 0.13 -0.63 -0.31 0.00 0.00 175.10 175.13 3f9i s ILE 34 N -0.03 4.19 -0.29 -0.62 1.01 0.15 -0.78 121.20 124.84 3f9i s ILE 34 Ca -0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 3f9i s ILE 34 Cb -0.11 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3f9i s ILE 34 CO 0.02 -0.05 0.15 0.27 0.00 0.00 0.00 174.94 175.33 3f9i s ILE 35 N 1.51 4.78 0.17 2.92 -4.36 0.26 -1.11 121.20 125.37 3f9i s ILE 35 Ca 0.02 -0.15 0.11 0.00 -0.26 0.00 0.00 60.65 60.37 3f9i s ILE 35 Cb -0.18 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 3f9i s ILE 35 CO 0.04 0.20 -0.24 -0.55 0.24 0.00 0.00 174.94 174.63 3f9i s SER 36 N 1.67 3.25 0.00 4.36 0.15 -0.22 -1.62 113.70 121.29 3f9i s SER 36 Ca 0.06 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.89 3f9i s SER 36 Cb -0.16 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3f9i s SER 36 CO 0.07 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.24 3f9i n GLY 37 N 0.49 -2.66 0.04 9.45 0.00 -0.75 -0.88 105.19 110.87 3f9i n GLY 37 Ca -0.14 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.71 3f9i n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f9i n SER 38 N 2.55 0.53 -4.34 1.61 3.41 -1.06 0.24 113.62 116.56 3f9i n SER 38 Ca 0.00 -0.16 -0.47 0.00 -0.26 0.00 0.00 58.87 57.99 3f9i n SER 38 Cb 0.00 1.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.99 3f9i n SER 38 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3f9i s ASN 39 N -4.19 6.71 0.19 4.04 3.84 -1.26 -4.80 114.94 119.48 3f9i s ASN 39 Ca 0.01 -2.57 -0.12 0.00 0.21 0.00 0.00 52.86 50.38 3f9i s ASN 39 Cb 0.14 -2.23 0.19 0.00 -0.55 0.00 0.00 41.25 38.81 3f9i s ASN 39 CO 0.83 -0.63 1.74 -0.08 -2.79 0.00 0.00 177.10 176.17 3f9i h GLU 40 N 7.94 0.32 -0.49 0.43 4.81 -1.98 -0.51 114.58 125.10 3f9i h GLU 40 Ca 0.08 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3f9i h GLU 40 Cb 1.04 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3f9i h GLU 40 CO 0.80 0.21 0.24 1.49 -0.73 0.00 0.00 179.01 181.02 3f9i h GLU 41 N 0.33 0.45 -0.25 1.92 4.22 -1.99 0.09 114.58 119.35 3f9i h GLU 41 Ca 0.25 -0.03 -0.17 0.00 0.08 0.00 0.00 59.36 59.49 3f9i h GLU 41 Cb 0.29 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3f9i h GLU 41 CO -0.27 0.30 -0.53 0.87 -2.18 0.00 0.00 179.01 177.20 3f9i h LYS 42 N 0.47 0.73 -0.90 1.92 1.57 -1.90 -2.54 116.57 115.91 3f9i h LYS 42 Ca 0.21 -0.45 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3f9i h LYS 42 Cb 0.13 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3f9i h LYS 42 CO -0.16 1.07 0.60 -0.07 -0.57 0.00 0.00 179.45 180.32 3f9i h LEU 43 N 0.56 1.01 -0.59 2.94 3.38 -0.62 -1.52 115.31 120.47 3f9i h LEU 43 Ca 0.02 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3f9i h LEU 43 Cb 1.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3f9i h LEU 43 CO 0.11 0.71 -0.38 0.11 0.09 0.00 0.00 178.44 179.08 3f9i h LYS 44 N 1.18 0.70 -0.18 1.13 1.57 -0.77 0.37 116.57 120.56 3f9i h LYS 44 Ca 0.34 -0.35 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3f9i h LYS 44 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3f9i h LYS 44 CO -0.09 0.96 -0.49 0.66 -0.57 0.00 0.00 179.45 179.93 3f9i h SER 45 N 0.58 0.53 -0.01 0.86 4.64 -1.15 0.15 113.55 119.14 3f9i h SER 45 Ca 0.05 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3f9i h SER 45 Cb 0.91 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3f9i h SER 45 CO 0.08 0.93 -0.04 0.25 -0.87 0.00 0.00 176.83 177.18 3f9i h LEU 46 N 0.39 -0.12 -0.60 5.97 5.85 -0.88 -2.80 115.31 123.11 3f9i h LEU 46 Ca 0.02 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.88 3f9i h LEU 46 Cb 0.99 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.97 3f9i h LEU 46 CO 0.09 -0.06 -0.06 1.23 -0.34 0.00 0.00 178.44 179.29 3f9i h GLY 47 N -0.07 0.55 0.64 3.75 0.00 0.20 -0.87 103.07 107.27 3f9i h GLY 47 Ca 0.02 0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.55 3f9i h GLY 47 CO -0.05 -0.21 0.36 3.43 0.00 0.00 0.00 176.54 180.07 3f9i h ASN 48 N 0.06 0.52 -0.51 0.19 2.35 -0.62 0.30 115.58 117.86 3f9i h ASN 48 Ca 0.30 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 3f9i h ASN 48 Cb 0.48 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3f9i h ASN 48 CO -0.56 0.33 0.25 0.00 -1.65 0.00 0.00 177.43 175.80 3f9i h ALA 49 N 1.36 1.42 -0.07 -0.83 0.00 -1.11 -2.77 119.26 117.26 3f9i h ALA 49 Ca 0.30 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3f9i h ALA 49 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3f9i h ALA 49 CO -0.20 0.46 -0.63 -0.07 0.00 0.00 0.00 179.25 178.81 3f9i h LEU 50 N 0.77 0.30 0.00 0.00 3.38 0.08 -3.47 115.31 116.36 3f9i h LEU 50 Ca 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3f9i h LEU 50 Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3f9i h LEU 50 CO -0.02 0.85 0.00 0.29 0.09 0.00 0.00 178.44 179.64 3f9i n LYS 51 N -3.86 0.00 -3.97 1.13 5.02 -0.03 -4.83 118.16 111.61 3f9i n LYS 51 Ca -0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 3f9i n LYS 51 Cb 0.63 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.62 3f9i n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3f9i s ASP 52 N 0.00 0.28 -1.29 4.39 2.15 -1.26 -4.97 116.67 115.96 3f9i s ASP 52 Ca 0.00 -1.16 -0.03 0.00 0.43 0.00 0.00 52.55 51.79 3f9i s ASP 52 Cb 0.00 0.69 0.01 0.00 -0.30 0.00 0.00 42.92 43.32 3f9i s ASP 52 CO 0.00 -1.35 0.95 0.59 -0.17 0.00 0.00 175.17 175.19 3f9i n ASN 53 N -1.00 -2.85 -3.92 -0.34 3.02 -1.26 -4.96 115.26 103.95 3f9i n ASN 53 Ca -0.03 -0.68 -0.10 0.00 -0.03 0.00 0.00 54.58 53.75 3f9i n ASN 53 Cb 0.61 -4.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 3f9i n ASN 53 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3f9i s TYR 54 N -3.43 0.28 -0.07 3.10 -0.85 -1.26 -1.88 117.35 113.24 3f9i s TYR 54 Ca 0.17 -0.64 -0.08 0.00 -0.52 0.00 0.00 57.07 56.00 3f9i s TYR 54 Cb -0.08 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.36 3f9i s TYR 54 CO 0.76 -0.80 0.22 0.99 -1.52 0.00 0.00 175.55 175.20 3f9i s THR 55 N -3.96 0.01 -0.04 -3.49 2.01 0.04 -4.93 115.64 105.29 3f9i s THR 55 Ca 0.16 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.94 3f9i s THR 55 Cb 0.02 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 3f9i s THR 55 CO 0.01 -0.04 0.42 -0.63 -0.69 0.00 0.00 174.62 173.69 3f9i s ILE 56 N -0.05 5.07 -0.22 1.82 1.01 -1.26 -0.58 121.20 126.99 3f9i s ILE 56 Ca -0.02 0.86 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 3f9i s ILE 56 Cb -0.02 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.78 3f9i s ILE 56 CO 0.01 0.51 0.00 -1.61 0.00 0.00 0.00 174.94 173.85 3f9i s GLU 57 N -0.58 1.08 -0.21 2.79 0.41 -0.64 -4.93 118.70 116.62 3f9i s GLU 57 Ca 0.24 -0.74 -0.25 0.00 -0.41 0.00 0.00 54.97 53.81 3f9i s GLU 57 Cb -0.16 -2.32 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 3f9i s GLU 57 CO 0.12 -0.66 0.86 0.08 -0.49 0.00 0.00 175.26 175.17 3f9i s VAL 58 N 1.63 4.84 -0.20 2.63 1.01 -1.26 -1.81 120.40 127.23 3f9i s VAL 58 Ca -0.02 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.47 3f9i s VAL 58 Cb -0.18 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.11 3f9i s VAL 58 CO -0.09 -0.04 0.51 0.00 0.00 0.00 0.00 175.10 175.48 3f9i s ASN 60 N 1.01 5.81 0.31 0.00 2.47 -1.26 -2.58 114.94 120.71 3f9i s ASN 60 Ca -0.06 -1.22 0.02 0.00 0.42 0.00 0.00 52.86 52.02 3f9i s ASN 60 Cb -0.06 -2.05 0.51 0.00 -1.45 0.00 0.00 41.25 38.20 3f9i s ASN 60 CO -0.09 -0.49 1.85 -0.07 -3.72 0.00 0.00 177.10 174.58 3f9i h LEU 61 N 8.50 0.60 -1.89 3.21 3.38 -1.96 -2.38 115.31 124.79 3f9i h LEU 61 Ca -0.25 -0.11 0.54 0.00 0.09 0.00 0.00 57.88 58.14 3f9i h LEU 61 Cb 1.10 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 3f9i h LEU 61 CO 0.74 0.65 1.29 0.00 0.09 0.00 0.00 178.44 181.21 3f9i h ALA 62 N 1.43 3.63 -2.44 1.53 0.00 -1.93 -3.36 119.26 118.12 3f9i h ALA 62 Ca 0.13 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.41 3f9i h ALA 62 Cb 0.33 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3f9i h ALA 62 CO 0.01 -2.20 0.23 1.21 0.00 0.00 0.00 179.25 178.50 3f9i s ASN 63 N -4.06 6.65 0.19 0.00 3.84 -0.90 -4.99 114.94 115.67 3f9i s ASN 63 Ca -0.05 0.81 -0.12 0.00 0.21 0.00 0.00 52.86 53.70 3f9i s ASN 63 Cb 0.27 -2.36 0.11 0.00 -0.55 0.00 0.00 41.25 38.72 3f9i s ASN 63 CO 0.88 -0.39 1.84 0.07 -2.79 0.00 0.00 177.10 176.71 3f9i h LYS 64 N 7.79 0.76 -0.09 0.43 5.09 -1.87 -2.22 116.57 126.46 3f9i h LYS 64 Ca -0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 60.65 60.39 3f9i h LYS 64 Cb 1.12 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 33.27 3f9i h LYS 64 CO 0.80 0.50 -0.12 1.05 -2.09 0.00 0.00 179.45 179.59 3f9i h GLU 65 N 0.78 0.13 -0.13 0.07 9.09 -1.94 -1.64 114.58 120.93 3f9i h GLU 65 Ca 0.23 -0.02 -0.20 0.00 0.05 0.00 0.00 59.36 59.42 3f9i h GLU 65 Cb -0.05 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 3f9i h GLU 65 CO -0.07 0.26 -0.72 1.49 0.05 0.00 0.00 179.01 180.02 3f9i h GLU 66 N 0.13 0.60 -0.32 1.06 4.81 -1.71 0.18 114.58 119.34 3f9i h GLU 66 Ca 0.03 -0.48 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 3f9i h GLU 66 Cb 0.30 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3f9i h GLU 66 CO 0.02 1.10 0.14 0.00 -0.73 0.00 0.00 179.01 179.53 3f9i h SER 68 N 0.29 0.80 0.42 0.00 0.87 -1.05 -2.84 113.55 112.05 3f9i h SER 68 Ca 0.14 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 3f9i h SER 68 Cb 0.08 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3f9i h SER 68 CO -0.11 0.79 -0.78 0.78 -0.53 0.00 0.00 176.83 176.98 3f9i h ASN 69 N 0.83 0.35 -0.45 6.23 -0.26 -0.45 -3.33 115.58 118.50 3f9i h ASN 69 Ca 0.18 -0.25 0.07 0.00 -0.56 0.00 0.00 56.30 55.75 3f9i h ASN 69 Cb 0.31 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.40 3f9i h ASN 69 CO -0.00 0.99 0.08 0.25 -1.06 0.00 0.00 177.43 177.69 3f9i h LEU 70 N 0.18 -0.02 -0.18 1.61 5.85 -0.77 -2.22 115.31 119.76 3f9i h LEU 70 Ca -0.03 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3f9i h LEU 70 Cb 1.36 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 3f9i h LEU 70 CO 0.12 0.02 -0.07 0.40 -0.34 0.00 0.00 178.44 178.58 3f9i h ILE 71 N 0.21 1.30 -0.38 4.05 1.08 -1.67 -3.20 117.51 118.90 3f9i h ILE 71 Ca 0.22 -1.09 0.08 0.00 -0.39 0.00 0.00 64.86 63.68 3f9i h ILE 71 Cb 0.29 1.64 -0.07 0.00 -3.07 0.00 0.00 36.82 35.61 3f9i h ILE 71 CO -0.30 0.33 -0.09 0.77 -0.69 0.00 0.00 178.15 178.16 3f9i h SER 72 N 0.06 -0.34 0.00 1.72 4.64 -1.61 0.99 113.55 119.00 3f9i h SER 72 Ca 0.04 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3f9i h SER 72 Cb 0.54 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3f9i h SER 72 CO 0.02 -0.12 0.50 0.29 -0.87 0.00 0.00 176.83 176.65 3f9i n LYS 73 N -5.29 0.01 -5.14 4.77 5.02 -0.86 -4.42 118.16 112.24 3f9i n LYS 73 Ca 0.02 0.14 -0.32 0.00 -2.02 0.00 0.00 58.31 56.13 3f9i n LYS 73 Cb 0.21 -2.02 -0.16 0.00 -0.02 0.00 0.00 35.03 33.04 3f9i n LYS 73 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3f9i s THR 74 N -2.30 2.32 -0.19 -0.18 -4.23 0.34 -5.04 115.64 106.36 3f9i s THR 74 Ca -0.00 -0.96 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 3f9i s THR 74 Cb 0.00 -1.88 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 3f9i s THR 74 CO 0.00 0.56 -0.22 -1.20 -0.54 0.00 0.00 174.62 173.23 3f9i n SER 75 N 3.05 1.89 -4.78 3.99 7.64 -1.26 -4.83 113.62 119.31 3f9i n SER 75 Ca -0.18 0.44 -0.39 0.00 1.01 0.00 0.00 58.87 59.76 3f9i n SER 75 Cb 0.52 -0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 3f9i n SER 75 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3f9i s ASN 76 N -6.26 7.12 -0.28 6.43 0.01 -1.26 -5.05 114.94 115.65 3f9i s ASN 76 Ca -0.26 1.33 0.01 0.00 -0.71 0.00 0.00 52.86 53.23 3f9i s ASN 76 Cb 0.06 -2.40 0.17 0.00 0.41 0.00 0.00 41.25 39.48 3f9i s ASN 76 CO 0.40 0.17 0.47 -0.22 -1.51 0.00 0.00 177.10 176.41 3f9i s LEU 77 N -0.69 -1.02 -0.16 0.60 2.96 -1.26 -4.87 118.68 114.25 3f9i s LEU 77 Ca 0.32 0.13 0.16 0.00 -0.22 0.00 0.00 54.13 54.53 3f9i s LEU 77 Cb -0.20 1.48 -0.24 0.00 0.50 0.00 0.00 46.19 47.73 3f9i s LEU 77 CO 0.20 -0.31 0.23 0.47 -1.32 0.00 0.00 176.35 175.62 3f9i n ASP 78 N 5.38 0.26 -3.83 3.68 8.00 0.35 -4.75 116.55 125.64 3f9i n ASP 78 Ca -0.00 0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.40 3f9i n ASP 78 Cb 0.51 0.69 -0.17 0.00 -0.02 0.00 0.00 41.12 42.13 3f9i n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3f9i s ILE 79 N -2.52 0.46 -0.14 0.53 1.01 -0.93 -0.48 121.20 119.13 3f9i s ILE 79 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 3f9i s ILE 79 Cb 0.07 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3f9i s ILE 79 CO 0.83 0.24 -0.08 -0.22 0.00 0.00 0.00 174.94 175.71 3f9i s LEU 80 N 1.46 3.01 -0.24 2.97 2.96 0.91 -0.32 118.68 129.43 3f9i s LEU 80 Ca -0.03 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3f9i s LEU 80 Cb -0.13 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.91 3f9i s LEU 80 CO -0.03 0.18 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.39 3f9i s VAL 81 N 0.29 1.90 -0.57 1.68 1.01 0.11 -0.60 120.40 124.22 3f9i s VAL 81 Ca -0.06 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 3f9i s VAL 81 Cb -0.15 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.30 3f9i s VAL 81 CO 0.04 0.02 0.67 0.00 0.00 0.00 0.00 175.10 175.82 3f9i s ASN 83 N 3.46 6.47 0.16 0.00 0.01 -1.24 -0.43 114.94 123.36 3f9i s ASN 83 Ca 0.11 1.76 -0.31 0.00 -0.71 0.00 0.00 52.86 53.71 3f9i s ASN 83 Cb -0.24 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 38.79 3f9i s ASN 83 CO 0.07 -0.69 1.44 0.00 -1.51 0.00 0.00 177.10 176.40 3f9i s ALA 84 N -2.28 3.64 0.00 0.60 0.00 -1.07 -4.72 121.76 117.92 3f9i s ALA 84 Ca 0.63 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3f9i s ALA 84 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3f9i s ALA 84 CO 0.24 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3f9i n GLY 85 N 3.25 -2.35 2.25 0.00 0.00 -1.26 -4.93 105.19 102.15 3f9i n GLY 85 Ca 0.11 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3f9i n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f9i n ASP 99 N 0.00 -7.36 -0.10 1.61 5.68 -1.26 -4.76 116.55 110.36 3f9i n ASP 99 Ca 0.00 1.65 -0.06 0.00 -0.50 0.00 0.00 54.79 55.88 3f9i n ASP 99 Cb 0.00 -4.38 0.00 0.00 -1.14 0.00 0.00 41.12 35.61 3f9i n ASP 99 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3f9i h PHE 100 N 4.24 -0.49 -0.66 2.11 3.57 -2.01 -3.02 116.94 120.69 3f9i h PHE 100 Ca 0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3f9i h PHE 100 Cb 0.00 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3f9i h PHE 100 CO 0.00 -0.27 0.44 -0.44 -2.23 0.00 0.00 178.31 175.81 3f9i h ASP 101 N -0.13 0.45 -0.17 0.41 5.19 -1.99 -2.16 116.42 118.01 3f9i h ASP 101 Ca 0.18 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.54 3f9i h ASP 101 Cb 0.42 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 3f9i h ASP 101 CO -0.45 0.27 -0.15 0.50 -3.12 0.00 0.00 179.24 176.29 3f9i h LYS 102 N 0.50 0.39 -0.43 3.56 3.64 -1.96 -0.52 116.57 121.75 3f9i h LYS 102 Ca 0.31 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3f9i h LYS 102 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3f9i h LYS 102 CO -0.10 0.76 -0.07 0.28 -2.27 0.00 0.00 179.45 178.05 3f9i h VAL 103 N 0.04 1.27 -0.34 2.00 2.07 -1.41 -0.17 116.25 119.71 3f9i h VAL 103 Ca 0.03 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3f9i h VAL 103 Cb 0.68 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3f9i h VAL 103 CO 0.04 0.39 0.16 0.40 0.02 0.00 0.00 177.57 178.58 3f9i h ILE 104 N 0.63 1.17 -0.40 4.57 5.03 -1.43 0.38 117.51 127.46 3f9i h ILE 104 Ca 0.11 -0.48 -0.09 0.00 -0.12 0.00 0.00 64.86 64.28 3f9i h ILE 104 Cb 0.59 0.86 -0.02 0.00 -3.03 0.00 0.00 36.82 35.22 3f9i h ILE 104 CO 0.04 0.17 -0.12 0.44 -0.68 0.00 0.00 178.15 178.00 3f9i h ASP 105 N 0.41 0.70 0.00 1.72 3.32 -0.83 0.02 116.42 121.77 3f9i h ASP 105 Ca 0.12 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3f9i h ASP 105 Cb 0.13 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3f9i h ASP 105 CO -0.01 0.85 -0.17 0.40 -1.72 0.00 0.00 179.24 178.58 3f9i h ILE 106 N 0.65 1.17 0.00 0.35 1.08 -0.81 -2.19 117.51 117.77 3f9i h ILE 106 Ca 0.11 -1.94 0.00 0.00 -0.39 0.00 0.00 64.86 62.64 3f9i h ILE 106 Cb 0.57 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 3f9i h ILE 106 CO 0.04 0.40 0.00 0.59 -0.69 0.00 0.00 178.15 178.48 3f9i n ASN 107 N -4.63 0.44 0.01 1.72 3.02 0.13 -3.96 115.26 111.99 3f9i n ASN 107 Ca -0.10 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 3f9i n ASN 107 Cb 0.38 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3f9i n ASN 107 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3f9i n LEU 108 N -1.93 0.03 -0.15 3.41 7.94 -0.08 -4.67 117.00 121.54 3f9i n LEU 108 Ca 0.05 0.03 -0.11 0.00 -1.11 0.00 0.00 56.01 54.87 3f9i n LEU 108 Cb 0.32 0.01 0.01 0.00 0.53 0.00 0.00 43.42 44.29 3f9i n LEU 108 CO 0.25 -0.34 0.66 0.11 -1.11 0.00 0.00 177.39 176.95 3f9i h LYS 109 N 0.00 0.97 -0.23 1.96 1.57 -1.27 -1.61 116.57 117.96 3f9i h LYS 109 Ca 0.00 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 58.37 3f9i h LYS 109 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3f9i h LYS 109 CO 0.00 1.10 0.10 0.00 -0.57 0.00 0.00 179.45 180.07 3f9i h ALA 110 N 0.88 0.26 -0.74 3.86 0.00 -1.52 -2.90 119.26 119.10 3f9i h ALA 110 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3f9i h ALA 110 Cb 0.82 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3f9i h ALA 110 CO 0.07 -0.32 0.30 -0.91 0.00 0.00 0.00 179.25 178.39 3f9i h ASN 111 N 0.21 1.02 -0.53 0.00 2.35 -1.69 -1.33 115.58 115.62 3f9i h ASN 111 Ca 0.10 -0.17 0.11 0.00 -0.55 0.00 0.00 56.30 55.78 3f9i h ASN 111 Cb 0.04 -0.27 -0.10 0.00 0.05 0.00 0.00 38.32 38.04 3f9i h ASN 111 CO -0.08 0.91 -0.20 0.15 -1.65 0.00 0.00 177.43 176.57 3f9i h PHE 112 N 1.07 -0.48 -0.22 1.19 3.57 -1.22 0.11 116.94 120.97 3f9i h PHE 112 Ca 0.25 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 3f9i h PHE 112 Cb 0.21 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3f9i h PHE 112 CO 0.02 -0.29 0.03 0.82 -2.23 0.00 0.00 178.31 176.66 3f9i h ILE 113 N -0.07 1.23 -0.52 1.41 2.04 -1.19 0.14 117.51 120.55 3f9i h ILE 113 Ca 0.25 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3f9i h ILE 113 Cb 0.46 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3f9i h ILE 113 CO -0.58 0.24 0.27 -0.07 0.00 0.00 0.00 178.15 178.00 3f9i h LEU 114 N 0.16 0.39 0.01 1.44 3.38 -0.99 -0.15 115.31 119.55 3f9i h LEU 114 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f9i h LEU 114 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3f9i h LEU 114 CO 0.00 0.27 -0.01 0.78 0.09 0.00 0.00 178.44 179.58 3f9i h ASN 115 N 0.52 -0.01 -0.25 -0.43 -0.26 -0.32 -1.05 115.58 113.77 3f9i h ASN 115 Ca 0.23 -0.29 0.02 0.00 -0.56 0.00 0.00 56.30 55.69 3f9i h ASN 115 Cb 0.13 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 3f9i h ASN 115 CO -0.15 0.29 0.10 -0.09 -1.06 0.00 0.00 177.43 176.52 3f9i h ARG 116 N -0.31 0.22 -0.52 0.81 2.43 -0.59 0.11 114.38 116.54 3f9i h ARG 116 Ca -0.00 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3f9i h ARG 116 Cb 0.31 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3f9i h ARG 116 CO 0.00 0.15 0.05 0.93 -1.51 0.00 0.00 179.97 179.59 3f9i h GLU 117 N 0.23 0.83 -0.43 0.20 4.39 -1.00 -1.87 114.58 116.93 3f9i h GLU 117 Ca 0.10 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.46 3f9i h GLU 117 Cb 0.05 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3f9i h GLU 117 CO -0.09 0.80 -0.29 0.00 -1.16 0.00 0.00 179.01 178.27 3f9i h ALA 118 N 1.27 0.66 -0.56 3.43 0.00 -0.68 -2.81 119.26 120.57 3f9i h ALA 118 Ca 0.16 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3f9i h ALA 118 Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3f9i h ALA 118 CO 0.01 0.67 0.33 0.82 0.00 0.00 0.00 179.25 181.08 3f9i h ILE 119 N 0.80 1.03 -0.93 0.00 2.04 -0.37 0.26 117.51 120.34 3f9i h ILE 119 Ca 0.09 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.83 3f9i h ILE 119 Cb 0.87 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 3f9i h ILE 119 CO 0.08 0.12 0.57 0.11 0.00 0.00 0.00 178.15 179.02 3f9i h LYS 120 N 0.64 0.91 -0.12 2.37 1.57 -1.19 0.19 116.57 120.94 3f9i h LYS 120 Ca 0.23 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3f9i h LYS 120 Cb 0.06 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3f9i h LYS 120 CO -0.12 0.61 -0.24 0.87 -0.57 0.00 0.00 179.45 179.99 3f9i h LYS 121 N 0.94 0.37 0.00 3.15 1.57 -1.03 -3.32 116.57 118.25 3f9i h LYS 121 Ca 0.44 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3f9i h LYS 121 Cb 0.38 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3f9i h LYS 121 CO -0.24 0.85 -0.32 0.52 -0.57 0.00 0.00 179.45 179.69 3f9i h MET 122 N -0.05 0.00 -0.84 3.15 2.86 -0.01 -2.58 114.93 117.46 3f9i h MET 122 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3f9i h MET 122 Cb 0.84 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.44 3f9i h MET 122 CO 0.05 0.32 0.55 0.82 1.06 0.00 0.00 176.91 179.71 3f9i h ILE 123 N 0.00 1.01 -0.13 -1.22 1.08 -0.74 -2.08 117.51 115.43 3f9i h ILE 123 Ca -0.00 -0.30 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 3f9i h ILE 123 Cb 0.70 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3f9i h ILE 123 CO 0.04 0.16 -0.23 1.56 -0.69 0.00 0.00 178.15 178.99 3f9i h GLN 124 N 0.88 0.23 -0.01 2.37 4.20 -1.59 -2.22 115.11 118.96 3f9i h GLN 124 Ca 0.38 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3f9i h GLN 124 Cb 0.32 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3f9i h GLN 124 CO -0.14 0.45 -0.33 1.63 -0.67 0.00 0.00 178.83 179.76 3f9i n LYS 125 N -4.19 1.10 -4.04 1.46 4.76 -1.02 -4.97 118.16 111.26 3f9i n LYS 125 Ca -0.01 -0.79 -0.33 0.00 -2.87 0.00 0.00 58.31 54.30 3f9i n LYS 125 Cb 0.34 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 3f9i n LYS 125 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3f9i n ARG 126 N -0.26 -4.00 -3.65 1.97 1.74 -0.81 -4.96 116.66 106.68 3f9i n ARG 126 Ca 0.11 0.46 -0.15 0.00 -0.77 0.00 0.00 57.85 57.50 3f9i n ARG 126 Cb 0.41 -5.25 -0.08 0.00 -1.02 0.00 0.00 32.46 26.52 3f9i n ARG 126 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3f9i s TYR 127 N -3.25 -0.49 0.00 -1.55 5.04 -1.13 -4.24 117.35 111.73 3f9i s TYR 127 Ca 0.69 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 3f9i s TYR 127 Cb -0.37 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.18 3f9i s TYR 127 CO 0.85 -0.43 0.00 0.41 -1.34 0.00 0.00 175.55 175.05 3f9i n GLY 128 N 1.71 2.91 2.85 8.97 0.00 -1.02 -4.63 105.19 115.98 3f9i n GLY 128 Ca -0.18 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 3f9i n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f9i s ARG 129 N -2.00 0.65 -0.12 1.61 1.81 0.37 -1.34 118.95 119.94 3f9i s ARG 129 Ca 0.00 -0.01 0.02 0.00 -1.72 0.00 0.00 55.73 54.02 3f9i s ARG 129 Cb 0.00 -0.79 0.01 0.00 -0.45 0.00 0.00 34.95 33.72 3f9i s ARG 129 CO 0.00 -0.15 -0.17 0.42 -0.68 0.00 0.00 175.30 174.72 3f9i s ILE 130 N 1.20 1.67 -0.16 1.52 1.01 -0.24 -0.06 121.20 126.15 3f9i s ILE 130 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3f9i s ILE 130 Cb -0.14 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.84 3f9i s ILE 130 CO -0.02 0.48 -0.15 -0.63 0.00 0.00 0.00 174.94 174.62 3f9i s ILE 131 N 0.99 1.71 -0.22 2.92 1.09 0.23 -0.59 121.20 127.34 3f9i s ILE 131 Ca -0.06 -0.78 -0.09 0.00 -1.10 0.00 0.00 60.65 58.63 3f9i s ILE 131 Cb -0.15 -1.62 -0.04 0.00 -1.06 0.00 0.00 42.46 39.59 3f9i s ILE 131 CO -0.03 0.43 0.11 0.20 -0.10 0.00 0.00 174.94 175.55 3f9i s ASN 132 N 1.42 5.78 -0.20 3.58 0.01 -0.15 -0.92 114.94 124.46 3f9i s ASN 132 Ca 0.04 0.06 -0.05 0.00 -0.71 0.00 0.00 52.86 52.20 3f9i s ASN 132 Cb -0.13 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 3f9i s ASN 132 CO -0.11 0.10 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.95 3f9i s ILE 133 N 0.81 3.94 0.43 0.60 1.01 0.43 -0.97 121.20 127.44 3f9i s ILE 133 Ca 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 3f9i s ILE 133 Cb -0.13 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 3f9i s ILE 133 CO 0.02 0.43 0.83 -0.94 0.00 0.00 0.00 174.94 175.29 3f9i s SER 134 N 0.99 6.60 0.80 3.58 1.04 -0.88 -2.61 113.70 123.22 3f9i s SER 134 Ca 0.02 1.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 3f9i s SER 134 Cb -0.14 -2.39 0.08 0.00 0.10 0.00 0.00 66.02 63.66 3f9i s SER 134 CO 0.02 -0.43 1.11 -0.94 0.98 0.00 0.00 173.24 173.98 3f9i s SER 135 N -2.98 4.15 0.37 7.02 1.04 -1.26 -4.35 113.70 117.69 3f9i s SER 135 Ca 0.54 1.92 -0.26 0.00 0.48 0.00 0.00 55.95 58.63 3f9i s SER 135 Cb -0.10 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 3f9i s SER 135 CO 0.29 -2.28 1.16 -0.63 0.98 0.00 0.00 173.24 172.77 3f9i s ILE 136 N -2.82 3.20 0.15 -1.02 1.01 -1.26 -4.75 121.20 115.71 3f9i s ILE 136 Ca 0.63 1.05 -0.31 0.00 0.00 0.00 0.00 60.65 62.01 3f9i s ILE 136 Cb -0.19 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 3f9i s ILE 136 CO 0.56 0.13 1.62 -0.69 0.00 0.00 0.00 174.94 176.56 3f9i s VAL 137 N -1.37 2.64 0.19 2.92 1.01 -1.18 -5.04 120.40 119.57 3f9i s VAL 137 Ca 0.54 0.38 -0.32 0.00 0.00 0.00 0.00 61.98 62.59 3f9i s VAL 137 Cb -0.31 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 3f9i s VAL 137 CO 0.40 0.02 1.68 -0.83 0.00 0.00 0.00 175.10 176.37 3f9i s GLY 138 N 1.52 1.33 0.00 4.51 0.00 -1.26 -4.66 107.32 108.76 3f9i s GLY 138 Ca 0.72 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.95 3f9i s GLY 138 CO 0.32 2.82 0.00 0.61 0.00 0.00 0.00 173.10 176.84 3f9i n GLY 141 N 3.92 -0.51 0.00 0.20 0.00 -1.26 -4.41 105.19 103.13 3f9i n GLY 141 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3f9i n GLY 141 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f9i n ASN 142 N -0.10 0.00 0.00 1.61 3.02 -1.26 -1.02 115.26 117.51 3f9i n ASN 142 Ca 0.00 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.26 3f9i n ASN 142 Cb 0.00 -0.25 0.13 0.00 -0.61 0.00 0.00 39.78 39.05 3f9i n ASN 142 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3f9i n PRO 143 N -2.16 0.03 0.00 3.52 -0.04 -1.26 -5.09 135.00 130.00 3f9i n PRO 143 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3f9i n PRO 143 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3f9i n PRO 143 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f9i n GLY 144 N 1.48 -1.23 3.77 0.55 0.00 -0.19 -4.07 105.19 105.50 3f9i n GLY 144 Ca 0.05 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 3f9i n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f9i s GLN 145 N 0.00 3.80 0.34 1.61 -0.21 -1.26 -4.82 119.66 119.11 3f9i s GLN 145 Ca 0.00 2.07 0.11 0.00 0.02 0.00 0.00 55.36 57.56 3f9i s GLN 145 Cb 0.00 -2.60 0.91 0.00 1.00 0.00 0.00 33.01 32.32 3f9i s GLN 145 CO 0.00 -0.60 1.76 0.00 -2.12 0.00 0.00 175.29 174.32 3f9i h ALA 146 N 2.35 1.88 -0.19 6.09 0.00 -1.98 -0.67 119.26 126.73 3f9i h ALA 146 Ca -0.50 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3f9i h ALA 146 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f9i h ALA 146 CO 0.61 -0.31 -0.14 -2.95 0.00 0.00 0.00 179.25 176.46 3f9i h ASN 147 N 0.58 0.46 -0.36 0.00 -1.07 -1.93 0.15 115.58 113.41 3f9i h ASN 147 Ca 0.61 -0.45 -0.14 0.00 0.07 0.00 0.00 56.30 56.39 3f9i h ASN 147 Cb 1.21 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 37.33 3f9i h ASN 147 CO -0.40 0.81 -0.32 1.88 0.07 0.00 0.00 177.43 179.47 3f9i h TYR 148 N 0.11 1.02 -0.15 4.14 0.05 -1.81 -1.15 116.97 119.18 3f9i h TYR 148 Ca 0.04 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.51 3f9i h TYR 148 Cb 0.66 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3f9i h TYR 148 CO 0.07 1.09 0.06 0.00 -1.05 0.00 0.00 178.16 178.34 3f9i h ALA 150 N 0.91 0.96 -0.19 0.00 0.00 -0.70 -2.05 119.26 118.19 3f9i h ALA 150 Ca 0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3f9i h ALA 150 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3f9i h ALA 150 CO -0.00 0.15 -0.67 0.66 0.00 0.00 0.00 179.25 179.38 3f9i h SER 151 N 0.80 0.86 0.11 0.00 4.64 -1.06 -0.52 113.55 118.39 3f9i h SER 151 Ca 0.31 -0.52 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3f9i h SER 151 Cb 0.13 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3f9i h SER 151 CO -0.16 1.30 -0.05 0.50 -0.87 0.00 0.00 176.83 177.55 3f9i h LYS 152 N 0.54 -0.15 -0.29 4.77 3.64 -1.12 -0.15 116.57 123.82 3f9i h LYS 152 Ca -0.02 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3f9i h LYS 152 Cb 1.28 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 3f9i h LYS 152 CO 0.14 -0.09 0.15 0.00 -2.27 0.00 0.00 179.45 177.38 3f9i h ALA 153 N 0.73 0.35 -1.00 5.00 0.00 -1.36 -1.83 119.26 121.14 3f9i h ALA 153 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3f9i h ALA 153 Cb 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3f9i h ALA 153 CO 0.03 -0.23 0.64 0.78 0.00 0.00 0.00 179.25 180.46 3f9i h GLY 154 N 0.31 1.59 1.73 0.00 0.00 -0.88 0.13 103.07 105.95 3f9i h GLY 154 Ca 0.12 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3f9i h GLY 154 CO -0.07 0.24 -0.46 -2.00 0.00 0.00 0.00 176.54 174.25 3f9i h LEU 155 N 1.08 0.31 0.01 3.11 5.85 -0.49 0.30 115.31 125.49 3f9i h LEU 155 Ca 0.47 -0.15 -0.25 0.00 0.84 0.00 0.00 57.88 58.79 3f9i h LEU 155 Cb 0.34 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.30 3f9i h LEU 155 CO -0.22 0.73 -0.97 0.40 -0.34 0.00 0.00 178.44 178.04 3f9i h ILE 156 N 0.24 1.30 -0.55 4.05 2.04 -0.50 -0.01 117.51 124.09 3f9i h ILE 156 Ca 0.02 -2.22 -0.03 0.00 1.00 0.00 0.00 64.86 63.62 3f9i h ILE 156 Cb 0.91 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 3f9i h ILE 156 CO 0.07 0.68 0.23 1.23 0.00 0.00 0.00 178.15 180.37 3f9i h GLY 157 N 0.30 0.87 0.79 5.37 0.00 -0.49 -1.38 103.07 108.53 3f9i h GLY 157 Ca -0.12 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 46.78 3f9i h GLY 157 CO 0.19 0.43 0.29 1.98 0.00 0.00 0.00 176.54 179.43 3f9i h MET 158 N 0.74 0.55 -0.07 4.80 1.85 -0.37 -1.85 114.93 120.58 3f9i h MET 158 Ca 0.18 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 3f9i h MET 158 Cb 0.17 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.08 3f9i h MET 158 CO -0.02 0.36 0.04 1.15 -0.40 0.00 0.00 176.91 178.04 3f9i h THR 159 N 0.56 1.00 -0.62 -0.77 2.02 -0.09 -1.56 112.91 113.46 3f9i h THR 159 Ca 0.22 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.43 3f9i h THR 159 Cb 0.09 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3f9i h THR 159 CO -0.13 0.01 0.33 0.11 0.37 0.00 0.00 175.52 176.21 3f9i h LYS 160 N 0.08 0.59 -0.20 6.66 1.57 -1.23 -0.17 116.57 123.86 3f9i h LYS 160 Ca 0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3f9i h LYS 160 Cb -0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3f9i h LYS 160 CO -0.02 0.39 0.06 1.03 -0.57 0.00 0.00 179.45 180.35 3f9i h SER 161 N 0.61 0.29 0.66 0.86 0.87 -1.00 -2.25 113.55 113.57 3f9i h SER 161 Ca 0.28 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3f9i h SER 161 Cb 0.20 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3f9i h SER 161 CO -0.19 0.41 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.17 3f9i h LEU 162 N 0.15 0.00 0.13 2.23 3.38 -1.21 -2.66 115.31 117.32 3f9i h LEU 162 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3f9i h LEU 162 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3f9i h LEU 162 CO -0.00 0.28 -0.06 -1.28 0.09 0.00 0.00 178.44 177.46 3f9i h SER 163 N 0.00 -0.15 -0.63 -0.43 0.87 -0.57 -2.65 113.55 109.99 3f9i h SER 163 Ca -0.00 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3f9i h SER 163 Cb 0.68 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 3f9i h SER 163 CO 0.04 -0.03 0.38 0.22 -0.53 0.00 0.00 176.83 176.91 3f9i h TYR 164 N -0.26 0.72 0.00 2.24 3.20 -1.28 -2.52 116.97 119.06 3f9i h TYR 164 Ca -0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3f9i h TYR 164 Cb 0.21 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3f9i h TYR 164 CO -0.04 0.40 -0.13 1.49 -1.64 0.00 0.00 178.16 178.24 3f9i h GLU 165 N 0.75 0.00 -0.07 1.82 4.81 -1.23 -3.01 114.58 117.63 3f9i h GLU 165 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3f9i h GLU 165 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3f9i h GLU 165 CO -0.12 0.13 0.00 1.33 -0.73 0.00 0.00 179.01 179.62 3f9i n VAL 166 N -4.36 0.21 -0.31 0.32 0.24 -1.02 -4.77 118.33 108.63 3f9i n VAL 166 Ca -0.03 -0.60 0.01 0.00 -2.04 0.00 0.00 64.34 61.68 3f9i n VAL 166 Cb 0.20 1.06 0.15 0.00 -1.47 0.00 0.00 33.84 33.77 3f9i n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f9i h ALA 167 N 1.91 1.18 0.00 2.33 0.00 -1.31 -0.97 119.26 122.40 3f9i h ALA 167 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f9i h ALA 167 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3f9i h ALA 167 CO 0.00 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.74 3f9i n THR 168 N -4.64 0.25 -1.28 0.00 -2.24 -1.26 -3.36 114.28 101.74 3f9i n THR 168 Ca 0.13 0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.88 3f9i n THR 168 Cb 0.19 -0.64 0.22 0.00 -2.10 0.00 0.00 70.33 68.00 3f9i n THR 168 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3f9i n ARG 169 N -1.39 2.35 -1.07 -0.78 1.74 -0.37 -4.94 116.66 112.21 3f9i n ARG 169 Ca 0.09 -3.09 -0.03 0.00 -0.77 0.00 0.00 57.85 54.06 3f9i n ARG 169 Cb 0.24 -1.98 -0.01 0.00 -1.02 0.00 0.00 32.46 29.69 3f9i n ARG 169 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f9i n GLY 170 N -0.93 0.52 3.55 -0.13 0.00 -1.22 -3.62 105.19 103.37 3f9i n GLY 170 Ca 0.41 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3f9i n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f9i s ILE 171 N -1.81 4.21 -0.02 -0.61 1.01 -1.24 -2.44 121.20 120.30 3f9i s ILE 171 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3f9i s ILE 171 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3f9i s ILE 171 CO 0.00 0.49 0.07 0.42 0.00 0.00 0.00 174.94 175.92 3f9i s THR 172 N 0.28 4.72 -0.19 2.92 -4.23 -0.45 -4.25 115.64 114.44 3f9i s THR 172 Ca -0.01 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3f9i s THR 172 Cb -0.13 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.62 3f9i s THR 172 CO 0.02 0.40 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.75 3f9i s VAL 173 N -1.14 1.30 0.18 2.29 1.01 -1.26 -1.07 120.40 121.70 3f9i s VAL 173 Ca 0.21 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3f9i s VAL 173 Cb -0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3f9i s VAL 173 CO 0.12 0.09 0.02 0.20 0.00 0.00 0.00 175.10 175.53 3f9i s ASN 174 N 1.54 1.12 -0.01 3.32 0.01 0.25 -0.53 114.94 120.64 3f9i s ASN 174 Ca -0.01 -1.21 0.07 0.00 -0.71 0.00 0.00 52.86 51.00 3f9i s ASN 174 Cb -0.16 0.14 -0.02 0.00 0.41 0.00 0.00 41.25 41.62 3f9i s ASN 174 CO -0.08 -0.61 -0.22 0.00 -1.51 0.00 0.00 177.10 174.68 3f9i s ALA 175 N -3.71 1.87 -0.13 0.60 0.00 0.32 -0.98 121.76 119.72 3f9i s ALA 175 Ca 0.26 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3f9i s ALA 175 Cb 0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3f9i s ALA 175 CO 0.05 0.45 -0.07 0.08 0.00 0.00 0.00 175.76 176.28 3f9i s VAL 176 N -0.57 3.64 -0.51 0.00 1.01 -0.14 -0.84 120.40 123.00 3f9i s VAL 176 Ca 0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3f9i s VAL 176 Cb -0.09 -2.56 0.13 0.00 0.00 0.00 0.00 36.38 33.86 3f9i s VAL 176 CO -0.00 0.52 0.31 0.00 0.00 0.00 0.00 175.10 175.92 3f9i s ALA 177 N 0.17 3.35 0.47 5.51 0.00 0.40 -2.06 121.76 129.59 3f9i s ALA 177 Ca -0.03 -2.91 -0.22 0.00 0.00 0.00 0.00 51.96 48.79 3f9i s ALA 177 Cb -0.14 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 3f9i s ALA 177 CO 0.03 -1.95 1.12 -2.14 0.00 0.00 0.00 175.76 172.82 3f9i s PRO 178 N 0.49 3.74 0.00 0.00 0.02 -1.26 -0.93 135.00 137.06 3f9i s PRO 178 Ca 0.13 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.78 3f9i s PRO 178 Cb -0.22 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3f9i s PRO 178 CO -0.04 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3f9i n GLY 179 N 0.26 0.81 3.56 0.52 0.00 -0.27 -4.23 105.19 105.84 3f9i n GLY 179 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3f9i n GLY 179 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f9i s PHE 180 N 0.66 3.13 -0.04 1.61 0.08 -1.26 -3.11 117.98 119.05 3f9i s PHE 180 Ca 0.00 0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.38 3f9i s PHE 180 Cb 0.00 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 3f9i s PHE 180 CO 0.00 -0.68 -0.07 0.42 -0.10 0.00 0.00 175.22 174.78 3f9i s ILE 181 N 2.79 3.64 0.11 0.64 -1.09 -1.26 0.29 121.20 126.33 3f9i s ILE 181 Ca 0.25 -0.60 -0.34 0.00 -2.23 0.00 0.00 60.65 57.74 3f9i s ILE 181 Cb -0.14 -2.52 -0.13 0.00 -1.58 0.00 0.00 42.46 38.09 3f9i s ILE 181 CO 0.16 0.53 1.67 1.17 -1.23 0.00 0.00 174.94 177.24 3f9i n LYS 182 N 2.00 2.26 0.00 2.79 4.81 0.12 -4.87 118.16 125.27 3f9i n LYS 182 Ca -0.17 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3f9i n LYS 182 Cb 0.53 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.96 3f9i n LYS 182 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3f9i n LEU 189 N 4.29 0.00 -4.65 3.14 -0.00 -1.26 -4.87 117.00 113.66 3f9i n LEU 189 Ca 0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.96 3f9i n LEU 189 Cb 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.65 3f9i n LEU 189 CO 0.66 0.00 -0.32 0.54 -0.00 0.00 0.00 177.39 178.27 3f9i s ASN 190 N 0.00 4.51 0.62 1.45 6.03 -1.26 -5.01 114.94 121.28 3f9i s ASN 190 Ca 0.00 -0.68 0.27 0.00 -1.03 0.00 0.00 52.86 51.42 3f9i s ASN 190 Cb 0.00 -0.81 1.40 0.00 -3.03 0.00 0.00 41.25 38.81 3f9i s ASN 190 CO 0.00 -0.04 1.80 1.05 -2.03 0.00 0.00 177.10 177.89 3f9i h GLU 191 N 1.86 0.00 0.50 3.55 4.11 -2.05 0.21 114.58 122.76 3f9i h GLU 191 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 3f9i h GLU 191 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3f9i h GLU 191 CO 0.61 0.00 -0.24 1.57 0.07 0.00 0.00 179.01 181.02 3f9i h LYS 192 N 0.00 -0.64 -1.01 1.06 2.10 -2.00 -2.74 116.57 113.34 3f9i h LYS 192 Ca 0.14 0.04 0.24 0.00 -2.00 0.00 0.00 60.65 59.06 3f9i h LYS 192 Cb 1.15 0.15 -0.12 0.00 -0.90 0.00 0.00 32.23 32.51 3f9i h LYS 192 CO -0.00 -0.43 0.60 1.96 -2.00 0.00 0.00 179.45 179.58 3f9i h GLN 193 N -0.89 0.60 0.37 0.07 4.20 -0.99 -1.12 115.11 117.35 3f9i h GLN 193 Ca -0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3f9i h GLN 193 Cb 0.51 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3f9i h GLN 193 CO 0.11 0.39 -0.18 0.00 -0.67 0.00 0.00 178.83 178.49 3f9i h ARG 194 N 0.61 -0.48 -0.81 1.46 3.08 -1.59 -2.35 114.38 114.30 3f9i h ARG 194 Ca 0.63 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.87 3f9i h ARG 194 Cb 1.17 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 31.18 3f9i h ARG 194 CO -0.45 -0.18 -0.22 1.49 -1.07 0.00 0.00 179.97 179.53 3f9i h GLU 195 N -0.77 -0.01 -0.17 0.04 4.57 -0.93 0.25 114.58 117.57 3f9i h GLU 195 Ca -0.05 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3f9i h GLU 195 Cb 0.52 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 3f9i h GLU 195 CO 0.08 -0.01 -0.35 0.00 -1.18 0.00 0.00 179.01 177.55 3f9i h ALA 196 N 1.74 -0.42 0.73 2.92 0.00 -1.18 -1.63 119.26 121.42 3f9i h ALA 196 Ca 0.38 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3f9i h ALA 196 Cb 0.60 0.68 0.01 0.00 0.00 0.00 0.00 17.79 19.07 3f9i h ALA 196 CO -0.84 -0.83 -0.35 0.82 0.00 0.00 0.00 179.25 178.05 3f9i h ILE 197 N -0.41 0.01 -0.54 0.00 2.04 -0.26 -3.25 117.51 115.11 3f9i h ILE 197 Ca 0.10 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 65.79 3f9i h ILE 197 Cb 0.57 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3f9i h ILE 197 CO -0.39 0.00 0.37 0.58 0.00 0.00 0.00 178.15 178.71 3f9i h VAL 198 N -1.26 0.84 -0.50 1.67 2.07 -0.58 1.49 116.25 119.98 3f9i h VAL 198 Ca -0.10 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3f9i h VAL 198 Cb 0.75 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3f9i h VAL 198 CO 0.16 0.04 0.34 -0.61 0.02 0.00 0.00 177.57 177.52 3f9i h GLN 199 N 0.23 0.34 0.00 1.57 4.15 -1.33 -1.10 115.11 118.97 3f9i h GLN 199 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3f9i h GLN 199 Cb 0.69 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.30 3f9i h GLN 199 CO -0.05 0.22 0.00 1.63 -1.93 0.00 0.00 178.83 178.71 3f9i n LYS 200 N -4.47 0.15 -3.64 1.69 5.02 0.51 -4.66 118.16 112.77 3f9i n LYS 200 Ca 0.07 0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 56.03 3f9i n LYS 200 Cb 0.31 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 3f9i n LYS 200 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3f9i s ILE 201 N -2.82 4.08 0.23 -0.18 1.01 -0.42 -4.49 121.20 118.62 3f9i s ILE 201 Ca 0.17 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.25 3f9i s ILE 201 Cb 0.16 -3.51 0.30 0.00 0.01 0.00 0.00 42.46 39.43 3f9i s ILE 201 CO 0.42 -0.49 1.59 -0.65 0.00 0.00 0.00 174.94 175.81 3f9i h PRO 202 N 8.35 -0.03 -0.88 2.79 0.11 -1.80 0.44 132.00 141.00 3f9i h PRO 202 Ca -0.22 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.12 3f9i h PRO 202 Cb 1.08 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3f9i h PRO 202 CO 0.74 -0.02 0.60 -0.07 -0.21 0.00 0.00 178.00 179.04 3f9i h LEU 203 N -0.03 0.23 0.00 2.35 4.07 -1.80 -3.45 115.31 116.69 3f9i h LEU 203 Ca 0.36 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.35 3f9i h LEU 203 Cb 0.59 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.31 3f9i h LEU 203 CO -0.83 0.09 0.00 0.61 -1.08 0.00 0.00 178.44 177.23 3f9i n GLY 204 N -1.60 0.72 3.21 0.83 0.00 0.16 -5.02 105.19 103.48 3f9i n GLY 204 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3f9i n GLY 204 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3f9i s THR 205 N -2.47 0.42 0.61 2.61 -1.32 -1.26 -4.93 115.64 109.29 3f9i s THR 205 Ca 0.00 -1.95 -0.14 0.00 -1.21 0.00 0.00 61.69 58.38 3f9i s THR 205 Cb 0.00 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.81 3f9i s THR 205 CO 0.00 -0.41 1.05 -0.72 -2.21 0.00 0.00 174.62 172.32 3f9i s TYR 206 N -3.84 3.09 0.73 9.09 -0.85 -1.26 -4.92 117.35 119.38 3f9i s TYR 206 Ca 0.26 1.48 -0.06 0.00 -0.52 0.00 0.00 57.07 58.23 3f9i s TYR 206 Cb 0.07 -2.94 0.09 0.00 0.38 0.00 0.00 41.96 39.56 3f9i s TYR 206 CO 0.04 -1.05 1.02 0.20 -1.52 0.00 0.00 175.55 174.25 3f9i s GLY 207 N -3.11 1.74 0.29 5.49 0.00 0.15 -4.86 107.32 107.02 3f9i s GLY 207 Ca 0.61 -1.22 0.11 0.00 0.00 0.00 0.00 44.72 44.22 3f9i s GLY 207 CO 0.41 -0.74 -0.11 -0.26 0.00 0.00 0.00 173.10 172.40 3f9i s ILE 208 N -3.25 2.72 0.48 0.90 -4.36 -1.26 0.15 121.20 116.57 3f9i s ILE 208 Ca 0.63 -2.21 0.19 0.00 -0.26 0.00 0.00 60.65 59.00 3f9i s ILE 208 Cb -0.08 -2.53 0.35 0.00 1.25 0.00 0.00 42.46 41.45 3f9i s ILE 208 CO 0.45 -0.35 1.99 -0.65 0.24 0.00 0.00 174.94 176.62 3f9i h PRO 209 N 2.09 0.21 0.00 0.37 0.11 -1.89 -0.91 132.00 131.98 3f9i h PRO 209 Ca -0.42 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3f9i h PRO 209 Cb 1.26 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3f9i h PRO 209 CO 0.62 0.14 -0.05 0.93 -0.21 0.00 0.00 178.00 179.43 3f9i h GLU 210 N 0.22 0.00 -0.27 1.05 3.07 -1.93 -1.26 114.58 115.46 3f9i h GLU 210 Ca 0.25 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.96 3f9i h GLU 210 Cb 0.71 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 3f9i h GLU 210 CO -0.05 0.05 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.73 3f9i h ASP 211 N 0.00 0.75 -0.07 1.42 3.32 -1.57 -1.68 116.42 118.59 3f9i h ASP 211 Ca -0.00 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 3f9i h ASP 211 Cb 0.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3f9i h ASP 211 CO 0.01 1.08 -0.34 0.58 -1.72 0.00 0.00 179.24 178.85 3f9i h VAL 212 N 0.56 1.42 -0.82 -1.35 2.07 -1.37 -3.19 116.25 113.56 3f9i h VAL 212 Ca 0.04 -1.74 0.14 0.00 0.82 0.00 0.00 66.70 65.95 3f9i h VAL 212 Cb 0.99 2.32 -0.09 0.00 -1.52 0.00 0.00 31.29 32.99 3f9i h VAL 212 CO 0.09 0.50 0.41 0.00 0.02 0.00 0.00 177.57 178.60 3f9i h ALA 213 N 0.43 1.22 -0.30 1.67 0.00 -1.23 -1.26 119.26 119.79 3f9i h ALA 213 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f9i h ALA 213 Cb 0.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3f9i h ALA 213 CO 0.07 -0.09 0.18 -0.92 0.00 0.00 0.00 179.25 178.49 3f9i h TYR 214 N 0.60 0.39 -0.65 0.00 3.20 -1.34 -0.10 116.97 119.07 3f9i h TYR 214 Ca 0.44 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.31 3f9i h TYR 214 Cb 0.61 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3f9i h TYR 214 CO -0.10 0.28 0.39 0.00 -1.64 0.00 0.00 178.16 177.09 3f9i h ALA 215 N 1.07 0.83 0.04 1.82 0.00 -1.39 -2.37 119.26 119.25 3f9i h ALA 215 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f9i h ALA 215 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3f9i h ALA 215 CO -0.02 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.80 3f9i h VAL 216 N 0.88 1.07 -0.62 0.00 2.07 -0.81 -1.59 116.25 117.25 3f9i h VAL 216 Ca 0.23 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3f9i h VAL 216 Cb -0.02 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 3f9i h VAL 216 CO -0.04 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.90 3f9i h ALA 217 N 0.74 0.82 0.09 1.67 0.00 -0.98 0.41 119.26 122.02 3f9i h ALA 217 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3f9i h ALA 217 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3f9i h ALA 217 CO 0.01 -0.14 -0.12 0.35 0.00 0.00 0.00 179.25 179.35 3f9i h PHE 218 N 0.47 -0.30 -0.16 0.00 3.57 -1.18 -2.11 116.94 117.22 3f9i h PHE 218 Ca 0.31 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 3f9i h PHE 218 Cb 0.34 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3f9i h PHE 218 CO -0.14 -0.18 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.48 3f9i h LEU 219 N -0.25 0.27 -0.32 0.59 3.38 -0.18 -1.94 115.31 116.87 3f9i h LEU 219 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3f9i h LEU 219 Cb 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3f9i h LEU 219 CO -0.05 0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3f9i n ALA 220 N -2.48 1.76 -1.98 1.53 0.00 0.13 -4.75 120.51 114.72 3f9i n ALA 220 Ca -0.01 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3f9i n ALA 220 Cb 0.34 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.50 3f9i n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f9i s SER 221 N -3.69 5.07 0.55 0.00 1.04 -0.73 -4.92 113.70 111.02 3f9i s SER 221 Ca 0.07 -0.15 0.33 0.00 0.48 0.00 0.00 55.95 56.68 3f9i s SER 221 Cb 0.10 -0.61 1.47 0.00 0.10 0.00 0.00 66.02 67.09 3f9i s SER 221 CO 0.37 -1.31 2.03 0.78 0.98 0.00 0.00 173.24 176.09 3f9i h ASN 222 N -0.04 0.00 0.00 7.02 2.35 -1.85 -2.76 115.58 120.31 3f9i h ASN 222 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3f9i h ASN 222 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3f9i h ASN 222 CO 0.49 0.04 0.00 0.59 -1.65 0.00 0.00 177.43 176.90 3f9i n ASN 223 N -3.18 0.00 -0.98 5.81 4.13 -1.26 -2.83 115.26 116.95 3f9i n ASN 223 Ca -0.00 -0.66 0.04 0.00 1.68 0.00 0.00 54.58 55.63 3f9i n ASN 223 Cb 0.28 -0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.66 3f9i n ASN 223 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3f9i n ALA 224 N -1.00 3.33 0.27 5.41 0.00 -1.04 -4.82 120.51 122.66 3f9i n ALA 224 Ca 0.16 -3.04 0.15 0.00 0.00 0.00 0.00 53.44 50.71 3f9i n ALA 224 Cb 0.07 -0.47 0.76 0.00 0.00 0.00 0.00 19.45 19.81 3f9i n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f9i h SER 225 N 1.10 0.00 -0.65 0.00 4.64 -1.67 -2.28 113.55 114.68 3f9i h SER 225 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3f9i h SER 225 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3f9i h SER 225 CO 0.07 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3f9i n TYR 226 N -3.41 0.87 -3.69 4.77 9.36 -1.26 -4.83 117.16 118.97 3f9i n TYR 226 Ca -0.01 -0.45 -0.39 0.00 3.32 0.00 0.00 57.90 60.37 3f9i n TYR 226 Cb 0.25 -0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.84 3f9i n TYR 226 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3f9i s ILE 227 N -1.10 4.19 0.02 2.97 1.01 -0.86 -5.07 121.20 122.36 3f9i s ILE 227 Ca 0.46 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 3f9i s ILE 227 Cb 0.25 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 3f9i s ILE 227 CO 0.33 -0.13 0.11 0.28 0.00 0.00 0.00 174.94 175.53 3f9i s THR 228 N 1.50 0.11 -0.38 2.92 -1.32 -1.26 -4.71 115.64 112.51 3f9i s THR 228 Ca 0.01 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 3f9i s THR 228 Cb -0.19 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 3f9i s THR 228 CO 0.04 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 3f9i n GLY 229 N 1.05 0.60 3.89 6.08 0.00 0.31 -4.96 105.19 112.16 3f9i n GLY 229 Ca -0.21 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3f9i n GLY 229 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f9i s GLN 230 N -1.60 3.26 -0.10 1.61 -1.52 -1.26 -4.61 119.66 115.43 3f9i s GLN 230 Ca 0.00 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 3f9i s GLN 230 Cb 0.00 -2.87 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 3f9i s GLN 230 CO 0.00 0.52 -0.10 0.99 -0.25 0.00 0.00 175.29 176.46 3f9i s THR 231 N -1.70 3.42 -0.17 -0.19 2.01 -1.26 -0.52 115.64 117.24 3f9i s THR 231 Ca 0.33 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.79 3f9i s THR 231 Cb -0.11 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.99 3f9i s THR 231 CO 0.27 0.55 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.33 3f9i s LEU 232 N -0.22 2.18 -0.17 4.42 2.96 -0.02 -4.94 118.68 122.88 3f9i s LEU 232 Ca 0.02 -0.61 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 3f9i s LEU 232 Cb -0.13 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3f9i s LEU 232 CO 0.03 0.03 0.31 -1.00 -1.32 0.00 0.00 176.35 174.39 3f9i s HIS 233 N 1.12 3.43 -0.59 5.38 3.76 -1.26 -0.46 115.29 126.67 3f9i s HIS 233 Ca 0.01 0.57 0.04 0.00 -0.15 0.00 0.00 55.06 55.53 3f9i s HIS 233 Cb -0.14 -2.38 0.15 0.00 1.11 0.00 0.00 32.58 31.32 3f9i s HIS 233 CO -0.08 0.17 0.35 0.08 -0.85 0.00 0.00 174.74 174.41 3f9i s VAL 234 N 0.68 2.69 0.00 -0.90 1.01 -0.11 -4.88 120.40 118.89 3f9i s VAL 234 Ca 0.16 -3.69 0.00 0.00 0.00 0.00 0.00 61.98 58.45 3f9i s VAL 234 Cb -0.13 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3f9i s VAL 234 CO 0.05 -0.88 0.22 -0.46 0.00 0.00 0.00 175.10 174.02 3f9i n ASN 235 N 2.66 0.00 -0.35 3.32 0.23 -1.26 -1.12 115.26 118.74 3f9i n ASN 235 Ca 0.11 -1.00 -0.05 0.00 -0.53 0.00 0.00 54.58 53.11 3f9i n ASN 235 Cb 0.33 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.01 3f9i n ASN 235 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f9i n GLY 236 N 0.00 0.73 0.77 4.83 0.00 -1.26 -2.87 105.19 107.38 3f9i n GLY 236 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3f9i n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f9i n GLY 237 N -2.30 0.79 0.28 -0.02 0.00 -1.26 -2.23 105.19 100.46 3f9i n GLY 237 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3f9i n GLY 237 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3f9i h MET 238 N 3.27 0.95 -4.44 1.61 1.85 -1.75 -3.39 114.93 113.03 3f9i h MET 238 Ca 0.00 -0.22 -0.54 0.00 -0.61 0.00 0.00 59.70 58.32 3f9i h MET 238 Cb 0.00 -0.13 -0.36 0.00 0.43 0.00 0.00 31.60 31.55 3f9i h MET 238 CO 0.00 0.87 -0.81 -0.51 -0.40 0.00 0.00 176.91 176.06 3f9i s LEU 239 N -9.59 1.44 -0.45 3.39 1.02 -1.26 -4.96 118.68 108.27 3f9i s LEU 239 Ca -0.12 -0.35 -0.12 0.00 0.02 0.00 0.00 54.13 53.56 3f9i s LEU 239 Cb 0.13 -0.93 0.09 0.00 0.02 0.00 0.00 46.19 45.50 3f9i s LEU 239 CO 0.82 -0.06 0.34 -0.04 0.02 0.00 0.00 176.35 177.43 3f9i s MET 240 N 1.34 2.75 0.00 1.70 1.00 -1.26 -4.93 119.30 119.91 3f9i s MET 240 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 55.69 54.20 3f9i s MET 240 Cb -0.14 -3.97 0.00 0.00 0.00 0.00 0.00 34.83 30.73 3f9i s MET 240 CO -0.05 -1.04 0.00 0.28 0.00 0.00 0.00 175.02 174.21