#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i s ALA 2 N 0.00 2.99 0.00 -5.12 0.00 -1.26 -4.99 121.76 113.38 2f3i s ALA 2 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2f3i s ALA 2 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2f3i s ALA 2 CO 0.00 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.84 2f3i n GLY 3 N 0.67 0.14 3.35 0.00 0.00 -1.20 -4.93 105.19 103.22 2f3i n GLY 3 Ca 0.08 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 2f3i n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2f3i s ILE 4 N -2.00 0.04 -0.07 -0.61 2.07 -1.26 -1.38 121.20 117.99 2f3i s ILE 4 Ca 0.00 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 2f3i s ILE 4 Cb 0.00 -0.95 -0.17 0.00 0.13 0.00 0.00 42.46 41.47 2f3i s ILE 4 CO 0.00 -0.20 3.22 -0.11 -1.91 0.00 0.00 174.94 175.94 2f3i n LEU 5 N 0.52 5.46 -3.68 8.50 7.94 -1.26 -4.77 117.00 129.71 2f3i n LEU 5 Ca -0.19 -3.18 -0.10 0.00 -1.11 0.00 0.00 56.01 51.43 2f3i n LEU 5 Cb 0.60 -1.34 -0.11 0.00 0.53 0.00 0.00 43.42 43.10 2f3i n LEU 5 CO 0.20 1.59 0.00 0.12 -1.11 0.00 0.00 177.39 178.19 2f3i s PHE 6 N 0.40 -0.62 -0.20 1.96 5.36 -1.26 -5.15 117.98 118.47 2f3i s PHE 6 Ca 0.55 1.28 -0.20 0.00 -0.96 0.00 0.00 56.93 57.59 2f3i s PHE 6 Cb 0.28 0.22 0.06 0.00 -0.34 0.00 0.00 43.02 43.23 2f3i s PHE 6 CO -0.03 -0.38 0.57 -2.00 -1.46 0.00 0.00 175.22 171.92 2f3i s GLU 7 N 1.90 0.68 -0.02 10.12 2.12 -1.26 -4.39 118.70 127.84 2f3i s GLU 7 Ca -0.06 0.75 -0.13 0.00 0.36 0.00 0.00 54.97 55.90 2f3i s GLU 7 Cb -0.10 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.64 2f3i s GLU 7 CO -0.12 -0.09 0.27 0.34 -0.54 0.00 0.00 175.26 175.12 2f3i s ASP 8 N 0.21 -0.16 0.55 -1.70 2.15 -0.66 -5.00 116.67 112.05 2f3i s ASP 8 Ca -0.01 0.10 -0.16 0.00 0.43 0.00 0.00 52.55 52.91 2f3i s ASP 8 Cb -0.04 0.33 -0.06 0.00 -0.30 0.00 0.00 42.92 42.85 2f3i s ASP 8 CO 0.01 -0.38 1.02 -0.63 -0.17 0.00 0.00 175.17 175.01 2f3i s ILE 9 N -1.13 4.22 0.09 4.11 1.09 -1.26 -0.48 121.20 127.83 2f3i s ILE 9 Ca -0.12 1.07 -0.07 0.00 -1.10 0.00 0.00 60.65 60.43 2f3i s ILE 9 Cb -0.05 -3.58 -0.01 0.00 -1.06 0.00 0.00 42.46 37.76 2f3i s ILE 9 CO 0.03 -0.61 0.16 0.72 -0.10 0.00 0.00 174.94 175.14 2f3i s PHE 10 N -2.54 0.24 -0.04 3.97 -0.12 0.56 -0.52 117.98 119.53 2f3i s PHE 10 Ca 0.61 -0.68 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 2f3i s PHE 10 Cb -0.13 -0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2f3i s PHE 10 CO 0.33 -0.53 -0.03 0.34 -0.05 0.00 0.00 175.22 175.28 2f3i s ASP 11 N -2.88 0.84 -0.00 1.98 2.15 -0.14 -1.54 116.67 117.07 2f3i s ASP 11 Ca 0.06 -0.11 -0.30 0.00 0.43 0.00 0.00 52.55 52.64 2f3i s ASP 11 Cb 0.05 -0.40 -0.06 0.00 -0.30 0.00 0.00 42.92 42.21 2f3i s ASP 11 CO -0.10 -0.06 1.53 0.54 -0.17 0.00 0.00 175.17 176.90 2f3i s VAL 12 N 0.94 3.53 -0.03 1.11 0.11 -1.22 -1.46 120.40 123.38 2f3i s VAL 12 Ca -0.11 0.85 -0.17 0.00 -2.93 0.00 0.00 61.98 59.63 2f3i s VAL 12 Cb -0.14 -3.55 -0.32 0.00 -1.53 0.00 0.00 36.38 30.84 2f3i s VAL 12 CO -0.00 -0.03 0.82 0.11 -3.33 0.00 0.00 175.10 172.67 2f3i h LYS 13 N 8.43 0.39 -3.02 1.54 1.79 -0.65 -3.47 116.57 121.57 2f3i h LYS 13 Ca -0.39 -0.67 0.05 0.00 -2.18 0.00 0.00 60.65 57.46 2f3i h LYS 13 Cb 1.18 0.25 -0.07 0.00 -1.58 0.00 0.00 32.23 32.01 2f3i h LYS 13 CO 0.93 1.32 0.22 0.34 -1.08 0.00 0.00 179.45 181.17 2f3i s ASP 14 N -7.25 -0.32 -0.01 0.86 2.15 -0.65 -4.98 116.67 106.48 2f3i s ASP 14 Ca -0.14 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.35 2f3i s ASP 14 Cb 0.03 0.70 0.00 0.00 -0.30 0.00 0.00 42.92 43.36 2f3i s ASP 14 CO 0.86 -1.27 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.95 2f3i s ILE 15 N -3.89 0.11 -0.31 4.11 1.09 -1.26 -1.14 121.20 119.91 2f3i s ILE 15 Ca 0.09 -0.03 -0.00 0.00 -1.10 0.00 0.00 60.65 59.61 2f3i s ILE 15 Cb -0.05 -0.12 0.13 0.00 -1.06 0.00 0.00 42.46 41.36 2f3i s ILE 15 CO 0.03 0.05 0.28 -0.62 -0.10 0.00 0.00 174.94 174.58 2f3i s ASP 16 N 0.15 1.90 0.00 3.58 2.15 -0.47 -4.97 116.67 119.01 2f3i s ASP 16 Ca -0.01 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 51.92 2f3i s ASP 16 Cb -0.03 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2f3i s ASP 16 CO -0.00 -0.37 0.90 -2.65 -0.17 0.00 0.00 175.17 172.87 2f3i n PRO 17 N 5.05 0.00 -2.30 4.34 -0.02 -1.26 -1.31 135.00 139.49 2f3i n PRO 17 Ca 0.01 -0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 60.83 2f3i n PRO 17 Cb 0.45 -1.89 0.02 0.00 -0.02 0.00 0.00 33.50 32.05 2f3i n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f3i n GLU 18 N 4.73 3.15 -2.41 -0.52 -0.58 -1.26 -4.75 120.64 119.00 2f3i n GLU 18 Ca 0.00 -4.12 -0.03 0.00 -0.42 0.00 0.00 57.16 52.59 2f3i n GLU 18 Cb 0.00 -2.11 0.07 0.00 -0.57 0.00 0.00 31.44 28.82 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2f3i n GLY 19 N -0.58 0.61 2.80 0.62 0.00 -1.26 -4.87 105.19 102.51 2f3i n GLY 19 Ca 0.35 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 2f3i n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f3i n LYS 20 N -0.76 2.41 -0.22 1.61 4.76 -1.24 -4.19 118.16 120.52 2f3i n LYS 20 Ca -0.13 -2.20 0.09 0.00 -2.87 0.00 0.00 58.31 53.20 2f3i n LYS 20 Cb 0.74 -3.04 0.36 0.00 -1.84 0.00 0.00 35.03 31.25 2f3i n LYS 20 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2f3i h LYS 21 N 6.57 0.71 -4.52 1.97 6.56 -1.96 -3.43 116.57 122.47 2f3i h LYS 21 Ca 0.55 -0.04 -0.22 0.00 -1.06 0.00 0.00 60.65 59.88 2f3i h LYS 21 Cb 0.57 -0.16 -0.15 0.00 -0.57 0.00 0.00 32.23 31.92 2f3i h LYS 21 CO 1.87 0.47 -0.64 -0.06 -2.06 0.00 0.00 179.45 179.03 2f3i s PHE 22 N -5.68 1.02 0.27 -1.35 0.40 -1.26 -5.02 117.98 106.36 2f3i s PHE 22 Ca -0.10 -1.29 0.23 0.00 -0.60 0.00 0.00 56.93 55.17 2f3i s PHE 22 Cb 0.20 -0.53 1.05 0.00 0.51 0.00 0.00 43.02 44.25 2f3i s PHE 22 CO 0.78 -0.56 1.90 0.22 0.70 0.00 0.00 175.22 178.26 2f3i h ASP 23 N 2.74 0.00 0.57 1.36 3.58 -1.97 -1.33 116.42 121.38 2f3i h ASP 23 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2f3i h ASP 23 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2f3i h ASP 23 CO 0.57 0.23 -0.06 -2.11 -2.88 0.00 0.00 179.24 174.99 2f3i n ARG 24 N -3.59 0.41 -3.81 0.28 1.85 -1.26 -4.85 116.66 105.71 2f3i n ARG 24 Ca -0.01 -0.07 -0.35 0.00 -1.00 0.00 0.00 57.85 56.42 2f3i n ARG 24 Cb 0.37 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.19 2f3i n ARG 24 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2f3i s VAL 25 N -2.64 5.17 0.20 8.89 1.01 -0.50 -0.23 120.40 132.30 2f3i s VAL 25 Ca 0.25 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 2f3i s VAL 25 Cb 0.20 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2f3i s VAL 25 CO 0.49 0.43 0.34 -0.44 0.00 0.00 0.00 175.10 175.92 2f3i s SER 26 N 0.53 -0.00 0.62 3.32 0.01 -0.57 -3.69 113.70 113.92 2f3i s SER 26 Ca 0.06 -0.97 -0.16 0.00 1.31 0.00 0.00 55.95 56.19 2f3i s SER 26 Cb -0.12 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 2f3i s SER 26 CO 0.00 -0.99 1.10 -0.60 0.41 0.00 0.00 173.24 173.17 2f3i s ARG 27 N -4.02 3.00 0.05 12.44 6.06 -0.42 -1.58 118.95 134.48 2f3i s ARG 27 Ca 0.23 1.40 0.00 0.00 -2.50 0.00 0.00 55.73 54.86 2f3i s ARG 27 Cb 0.02 -1.98 -0.03 0.00 0.06 0.00 0.00 34.95 33.02 2f3i s ARG 27 CO 0.06 -1.09 -0.05 -0.51 -2.50 0.00 0.00 175.30 171.21 2f3i s LEU 28 N -4.59 2.40 -0.03 -0.88 1.43 0.59 -1.37 118.68 116.22 2f3i s LEU 28 Ca 0.67 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2f3i s LEU 28 Cb -0.20 0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.07 2f3i s LEU 28 CO 0.38 -0.43 -0.07 -2.28 0.23 0.00 0.00 176.35 174.18 2f3i s HIS 29 N -2.88 0.83 0.12 0.29 5.65 -0.29 -1.35 115.29 117.66 2f3i s HIS 29 Ca 0.00 -0.22 -0.04 0.00 0.25 0.00 0.00 55.06 55.05 2f3i s HIS 29 Cb 0.00 -0.64 -0.03 0.00 -1.18 0.00 0.00 32.58 30.74 2f3i s HIS 29 CO -0.05 -0.13 0.12 0.00 -0.65 0.00 0.00 174.74 174.03 2f3i s GLU 31 N -3.98 0.61 0.04 0.00 2.12 -0.53 -1.25 118.70 115.71 2f3i s GLU 31 Ca 0.17 -0.21 -0.12 0.00 0.36 0.00 0.00 54.97 55.16 2f3i s GLU 31 Cb 0.06 -0.60 -0.06 0.00 0.26 0.00 0.00 34.13 33.80 2f3i s GLU 31 CO -0.03 0.10 0.41 -1.12 -0.54 0.00 0.00 175.26 174.08 2f3i s SER 32 N 0.08 6.73 -0.02 -1.70 0.01 -0.67 -0.97 113.70 117.16 2f3i s SER 32 Ca -0.01 0.88 -0.23 0.00 1.31 0.00 0.00 55.95 57.91 2f3i s SER 32 Cb -0.05 -2.22 -0.16 0.00 0.21 0.00 0.00 66.02 63.80 2f3i s SER 32 CO -0.00 0.24 1.04 -0.08 0.41 0.00 0.00 173.24 174.85 2f3i h GLU 33 N 4.19 -0.33 0.08 12.44 4.57 -1.15 -3.06 114.58 131.31 2f3i h GLU 33 Ca -0.50 0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 57.37 2f3i h GLU 33 Cb 1.21 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 2f3i h GLU 33 CO 0.64 0.02 -1.82 0.77 -1.18 0.00 0.00 179.01 177.45 2f3i h SER 34 N -0.83 0.25 -0.30 1.04 0.02 -1.96 -3.39 113.55 108.38 2f3i h SER 34 Ca -0.04 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2f3i h SER 34 Cb 0.51 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2f3i h SER 34 CO 0.06 1.47 0.00 0.49 -1.14 0.00 0.00 176.83 177.70 2f3i n PHE 35 N -3.31 0.39 -2.29 3.45 3.72 -1.26 -4.98 117.46 113.18 2f3i n PHE 35 Ca -0.24 -0.33 -0.06 0.00 -0.05 0.00 0.00 57.45 56.77 2f3i n PHE 35 Cb 1.05 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.57 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2f3i n LYS 36 N 0.81 -2.40 -1.55 -1.08 -0.00 -1.16 -4.70 118.16 108.08 2f3i n LYS 36 Ca 0.13 0.31 -0.35 0.00 -0.00 0.00 0.00 58.31 58.40 2f3i n LYS 36 Cb 0.44 -4.80 0.08 0.00 -0.00 0.00 0.00 35.03 30.75 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2f3i s MET 37 N -4.66 2.29 -0.13 -1.58 -1.94 -1.26 -4.81 119.30 107.21 2f3i s MET 37 Ca 0.00 1.88 0.02 0.00 -1.71 0.00 0.00 55.69 55.88 2f3i s MET 37 Cb 0.00 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 35.02 2f3i s MET 37 CO 0.00 -1.75 -0.17 0.34 -0.01 0.00 0.00 175.02 173.43 2f3i s ASP 38 N -1.77 2.66 0.08 3.03 -1.08 -0.44 -1.66 116.67 117.49 2f3i s ASP 38 Ca 0.78 -0.49 0.05 0.00 -0.52 0.00 0.00 52.55 52.37 2f3i s ASP 38 Cb -0.32 -1.20 -0.03 0.00 -1.46 0.00 0.00 42.92 39.90 2f3i s ASP 38 CO 0.43 0.02 -0.14 -0.22 0.52 0.00 0.00 175.17 175.77 2f3i s LEU 39 N 1.05 2.29 0.06 -1.34 0.20 -0.38 -1.38 118.68 119.18 2f3i s LEU 39 Ca -0.04 -0.64 0.06 0.00 0.69 0.00 0.00 54.13 54.19 2f3i s LEU 39 Cb -0.15 -0.51 -0.03 0.00 -0.43 0.00 0.00 46.19 45.08 2f3i s LEU 39 CO -0.04 -0.09 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.15 2f3i s ILE 40 N -1.40 1.23 0.05 6.68 -1.09 0.67 -0.98 121.20 126.37 2f3i s ILE 40 Ca -0.01 -1.18 -0.10 0.00 -2.23 0.00 0.00 60.65 57.13 2f3i s ILE 40 Cb -0.09 -1.13 0.01 0.00 -1.58 0.00 0.00 42.46 39.66 2f3i s ILE 40 CO 0.02 -0.05 0.22 -0.22 -1.23 0.00 0.00 174.94 173.68 2f3i s LEU 41 N -1.42 1.26 -0.26 2.97 0.20 -0.46 -1.22 118.68 119.76 2f3i s LEU 41 Ca 0.02 -0.36 -0.03 0.00 0.69 0.00 0.00 54.13 54.44 2f3i s LEU 41 Cb -0.09 1.06 0.10 0.00 -0.43 0.00 0.00 46.19 46.83 2f3i s LEU 41 CO 0.02 -0.59 0.18 -0.62 -0.29 0.00 0.00 176.35 175.05 2f3i s ASP 42 N -2.17 2.59 0.31 3.68 2.15 0.77 -0.30 116.67 123.69 2f3i s ASP 42 Ca -0.04 -0.90 -0.18 0.00 0.43 0.00 0.00 52.55 51.86 2f3i s ASP 42 Cb -0.00 -0.02 0.07 0.00 -0.30 0.00 0.00 42.92 42.66 2f3i s ASP 42 CO -0.05 -0.40 0.90 0.54 -0.17 0.00 0.00 175.17 175.99 2f3i s VAL 43 N 2.20 0.00 0.14 1.11 0.11 -0.61 -1.67 120.40 121.68 2f3i s VAL 43 Ca 0.08 -0.83 -0.35 0.00 -2.93 0.00 0.00 61.98 57.95 2f3i s VAL 43 Cb -0.15 -2.96 -0.15 0.00 -1.53 0.00 0.00 36.38 31.59 2f3i s VAL 43 CO -0.28 0.00 1.47 -3.20 -3.33 0.00 0.00 175.10 169.76 2f3i n ASN 44 N -1.41 2.49 -0.37 3.54 5.15 -1.26 -1.51 115.26 121.90 2f3i n ASN 44 Ca -0.06 1.10 0.06 0.00 -0.60 0.00 0.00 54.58 55.08 2f3i n ASN 44 Cb 0.60 -1.34 0.03 0.00 -0.53 0.00 0.00 39.78 38.54 2f3i n ASN 44 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2f3i n ILE 45 N 2.92 0.00 0.54 -1.44 -6.64 0.67 -4.48 119.36 110.93 2f3i n ILE 45 Ca 0.17 -0.45 0.07 0.00 -1.77 0.00 0.00 62.75 60.77 2f3i n ILE 45 Cb 0.25 1.19 0.33 0.00 -1.44 0.00 0.00 39.64 39.97 2f3i n ILE 45 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2f3i n GLN 46 N 0.28 0.02 -0.14 6.28 6.02 -1.26 -0.78 117.38 127.80 2f3i n GLN 46 Ca 0.06 0.23 -0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2f3i n GLN 46 Cb 0.26 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.28 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2f3i h ILE 47 N 0.00 1.19 -3.26 5.09 2.04 -1.95 -3.44 117.51 117.18 2f3i h ILE 47 Ca 0.00 -0.52 -0.50 0.00 1.00 0.00 0.00 64.86 64.83 2f3i h ILE 47 Cb 0.24 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2f3i h ILE 47 CO 0.00 0.22 -0.08 -0.31 0.00 0.00 0.00 178.15 177.98 2f3i s TYR 48 N -5.50 3.49 1.02 1.37 2.02 0.04 -5.06 117.35 114.73 2f3i s TYR 48 Ca -0.10 0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 57.16 2f3i s TYR 48 Cb 0.17 -2.15 0.20 0.00 -0.40 0.00 0.00 41.96 39.78 2f3i s TYR 48 CO 0.78 0.07 1.09 -1.25 -1.57 0.00 0.00 175.55 174.66 2f3i s PRO 49 N -3.86 0.29 0.56 -1.71 0.04 -1.26 -4.94 135.00 124.11 2f3i s PRO 49 Ca 0.45 0.52 0.31 0.00 0.04 0.00 0.00 61.00 62.32 2f3i s PRO 49 Cb -0.10 -1.72 1.64 0.00 0.04 0.00 0.00 34.50 34.36 2f3i s PRO 49 CO 0.33 -2.83 2.14 -0.39 0.04 0.00 0.00 177.00 176.29 2f3i h VAL 50 N -1.96 0.44 0.00 -0.36 -1.51 -1.96 -3.40 116.25 107.50 2f3i h VAL 50 Ca -0.55 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2f3i h VAL 50 Cb 1.33 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 2f3i h VAL 50 CO 0.57 0.07 0.00 -0.67 -1.23 0.00 0.00 177.57 176.31 2f3i n ASP 51 N -3.57 0.00 0.25 4.19 2.03 -1.26 -4.96 116.55 113.24 2f3i n ASP 51 Ca -0.02 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.39 2f3i n ASP 51 Cb 0.19 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.26 2f3i n ASP 51 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2f3i h LEU 52 N 0.00 0.00 -0.09 -2.67 5.85 -1.99 -3.49 115.31 112.91 2f3i h LEU 52 Ca 0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2f3i h LEU 52 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2f3i h LEU 52 CO 0.00 0.10 -0.19 0.61 -0.34 0.00 0.00 178.44 178.62 2f3i n GLY 53 N -1.07 -1.63 3.78 3.75 0.00 -1.26 -5.06 105.19 103.70 2f3i n GLY 53 Ca -0.02 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 2f3i n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 54 N -4.08 -0.01 -0.04 1.61 -1.08 -1.26 -4.63 116.67 107.18 2f3i s ASP 54 Ca 0.00 -0.98 0.05 0.00 -0.52 0.00 0.00 52.55 51.09 2f3i s ASP 54 Cb 0.00 0.78 -0.00 0.00 -1.46 0.00 0.00 42.92 42.23 2f3i s ASP 54 CO 0.00 -1.50 -0.18 -0.54 0.52 0.00 0.00 175.17 173.47 2f3i s LYS 55 N -3.03 1.84 0.14 4.34 1.02 -1.26 -3.41 119.74 119.38 2f3i s LYS 55 Ca 0.16 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2f3i s LYS 55 Cb -0.05 -1.60 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2f3i s LYS 55 CO 0.11 0.27 0.06 1.19 -0.92 0.00 0.00 175.35 176.05 2f3i n PHE 56 N 3.09 0.02 -4.20 3.18 3.72 -0.59 -3.98 117.46 118.70 2f3i n PHE 56 Ca -0.18 -0.94 -0.19 0.00 -0.05 0.00 0.00 57.45 56.10 2f3i n PHE 56 Cb 0.53 0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.96 2f3i n PHE 56 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2f3i s ARG 57 N -2.55 0.91 -0.02 -1.08 1.70 0.11 -0.32 118.95 117.70 2f3i s ARG 57 Ca 0.08 -1.06 0.06 0.00 -0.47 0.00 0.00 55.73 54.34 2f3i s ARG 57 Cb 0.00 -0.89 -0.01 0.00 -0.57 0.00 0.00 34.95 33.48 2f3i s ARG 57 CO 0.06 0.19 -0.20 -1.17 -1.08 0.00 0.00 175.30 173.10 2f3i s LEU 58 N -1.98 2.02 0.02 -1.89 2.96 0.37 -1.63 118.68 118.55 2f3i s LEU 58 Ca 0.02 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2f3i s LEU 58 Cb -0.08 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 2f3i s LEU 58 CO 0.03 0.23 0.13 -0.69 -1.32 0.00 0.00 176.35 174.73 2f3i s VAL 59 N -0.37 0.11 -0.40 1.68 1.01 -0.31 -1.66 120.40 120.46 2f3i s VAL 59 Ca 0.05 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.27 2f3i s VAL 59 Cb -0.09 -0.69 0.39 0.00 0.00 0.00 0.00 36.38 36.00 2f3i s VAL 59 CO 0.00 -0.48 0.90 2.30 0.00 0.00 0.00 175.10 177.82 2f3i n ILE 60 N 1.06 1.21 -1.68 2.22 -5.35 -1.26 -0.95 119.36 114.60 2f3i n ILE 60 Ca -0.21 -4.36 -0.48 0.00 -0.27 0.00 0.00 62.75 57.44 2f3i n ILE 60 Cb 0.57 -0.35 -0.05 0.00 -1.74 0.00 0.00 39.64 38.08 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i n ALA 61 N -0.05 0.93 -1.63 -1.28 0.00 -1.26 -4.74 120.51 112.48 2f3i n ALA 61 Ca 0.23 0.32 -0.45 0.00 0.00 0.00 0.00 53.44 53.55 2f3i n ALA 61 Cb 0.66 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 2f3i n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2f3i n SER 62 N 5.89 3.54 -3.77 0.00 7.64 -0.48 -4.68 113.62 121.77 2f3i n SER 62 Ca 0.21 0.68 -0.13 0.00 1.01 0.00 0.00 58.87 60.64 2f3i n SER 62 Cb 0.29 -1.47 -0.14 0.00 -1.01 0.00 0.00 64.21 61.88 2f3i n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2f3i s THR 63 N 5.70 -0.04 -0.39 0.44 2.01 -1.26 -3.21 115.64 118.88 2f3i s THR 63 Ca 0.95 0.15 0.11 0.00 0.31 0.00 0.00 61.69 63.21 2f3i s THR 63 Cb -0.52 -0.22 0.37 0.00 0.01 0.00 0.00 72.50 72.15 2f3i s THR 63 CO 0.44 0.06 1.01 -0.11 -0.69 0.00 0.00 174.62 175.33 2f3i n LEU 64 N 3.97 -0.55 -4.72 4.42 7.94 -1.26 -4.92 117.00 121.88 2f3i n LEU 64 Ca -0.24 -4.07 -0.32 0.00 -1.11 0.00 0.00 56.01 50.27 2f3i n LEU 64 Cb 0.53 0.60 0.12 0.00 0.53 0.00 0.00 43.42 45.20 2f3i n LEU 64 CO 0.19 2.01 0.71 -0.72 -1.11 0.00 0.00 177.39 178.48 2f3i s TYR 65 N -1.23 2.11 0.34 1.96 1.13 -1.26 -5.07 117.35 115.32 2f3i s TYR 65 Ca 0.29 1.66 0.05 0.00 -1.41 0.00 0.00 57.07 57.66 2f3i s TYR 65 Cb 0.36 -3.25 -0.03 0.00 -1.10 0.00 0.00 41.96 37.94 2f3i s TYR 65 CO -0.05 -2.33 0.21 -1.21 -2.51 0.00 0.00 175.55 169.66 2f3i s GLU 66 N -4.56 1.76 0.33 -3.49 2.02 -1.26 -5.01 118.70 108.49 2f3i s GLU 66 Ca 0.66 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2f3i s GLU 66 Cb -0.22 0.00 0.55 0.00 0.10 0.00 0.00 34.13 34.57 2f3i s GLU 66 CO 0.54 -0.57 1.99 0.22 0.02 0.00 0.00 175.26 177.46 2f3i h ASP 67 N 2.07 0.82 1.13 -0.19 3.58 -2.00 -1.58 116.42 120.26 2f3i h ASP 67 Ca -0.29 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 2f3i h ASP 67 Cb 1.25 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2f3i h ASP 67 CO 0.45 0.60 -0.02 1.23 -2.88 0.00 0.00 179.24 178.62 2f3i h GLY 68 N 0.97 0.00 2.00 -0.78 0.00 -1.96 -0.97 103.07 102.34 2f3i h GLY 68 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 2f3i h GLY 68 CO -0.06 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.25 2f3i h THR 69 N 0.00 1.02 0.00 4.70 2.02 -1.59 -3.29 112.91 115.77 2f3i h THR 69 Ca -0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2f3i h THR 69 Cb 0.59 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2f3i h THR 69 CO 0.00 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.28 2f3i n LEU 70 N -3.68 0.00 0.15 2.58 -0.00 -1.19 -4.59 117.00 110.27 2f3i n LEU 70 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2f3i n LEU 70 Cb 0.49 0.14 0.23 0.00 -0.00 0.00 0.00 43.42 44.28 2f3i n LEU 70 CO 0.37 -0.33 0.58 -0.78 -0.00 0.00 0.00 177.39 177.24 2f3i h ASP 71 N 0.00 0.03 -0.48 1.45 3.58 -1.48 -1.42 116.42 118.10 2f3i h ASP 71 Ca 0.00 -0.01 -0.34 0.00 0.42 0.00 0.00 57.03 57.09 2f3i h ASP 71 Cb 0.00 -0.01 -0.25 0.00 1.72 0.00 0.00 39.33 40.79 2f3i h ASP 71 CO 0.00 0.55 -0.55 -0.67 -2.88 0.00 0.00 179.24 175.69 2f3i n ASP 72 N -3.92 3.77 -2.87 2.28 2.03 -0.60 -4.48 116.55 112.77 2f3i n ASP 72 Ca -0.01 -3.81 -0.15 0.00 0.52 0.00 0.00 54.79 51.34 2f3i n ASP 72 Cb 0.54 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2f3i n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 73 N -0.90 2.86 3.06 0.27 0.00 -0.54 -4.79 105.19 105.16 2f3i n GLY 73 Ca 0.36 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 2f3i n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3i n GLU 74 N 0.03 -5.65 0.00 1.61 2.13 -1.25 -4.45 120.64 113.06 2f3i n GLU 74 Ca 0.18 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2f3i n GLU 74 Cb 0.72 -5.35 0.00 0.00 0.27 0.00 0.00 31.44 27.08 2f3i n GLU 74 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2f3i n TYR 75 N -3.68 0.00 -0.29 4.31 9.36 -1.17 -4.48 117.16 121.21 2f3i n TYR 75 Ca -0.24 -0.05 0.07 0.00 3.32 0.00 0.00 57.90 61.00 2f3i n TYR 75 Cb 0.64 -0.08 0.22 0.00 -0.63 0.00 0.00 39.34 39.49 2f3i n TYR 75 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2f3i h ASN 76 N 0.43 0.44 -0.00 2.98 -1.24 -1.91 -0.16 115.58 116.13 2f3i h ASN 76 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2f3i h ASN 76 Cb 0.37 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2f3i h ASN 76 CO 0.00 0.17 0.00 -0.81 -1.29 0.00 0.00 177.43 175.50 2f3i n PRO 77 N -4.92 1.01 -1.73 6.67 -0.04 -1.26 -4.86 135.00 129.86 2f3i n PRO 77 Ca 0.17 -0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.45 2f3i n PRO 77 Cb 0.45 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2f3i n PRO 77 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2f3i n THR 78 N -0.72 -0.21 0.00 0.52 -1.04 -0.07 -4.76 114.28 108.00 2f3i n THR 78 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2f3i n THR 78 Cb 0.05 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 2f3i n THR 78 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2f3i n ASP 79 N -1.17 0.00 0.00 8.00 2.03 -1.26 -0.78 116.55 123.37 2f3i n ASP 79 Ca -0.18 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.26 2f3i n ASP 79 Cb 0.58 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.71 2f3i n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2f3i n ASP 80 N 0.00 0.00 -4.57 1.67 2.03 -1.26 -4.91 116.55 109.51 2f3i n ASP 80 Ca 0.00 -1.02 -0.59 0.00 0.52 0.00 0.00 54.79 53.70 2f3i n ASP 80 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2f3i n ASP 80 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2f3i n ARG 81 N -0.93 0.31 -2.47 -0.67 -4.01 0.04 -1.06 116.66 107.86 2f3i n ARG 81 Ca 0.18 0.11 -0.09 0.00 -1.04 0.00 0.00 57.85 57.02 2f3i n ARG 81 Cb 0.08 -1.65 -0.02 0.00 -3.04 0.00 0.00 32.46 27.83 2f3i n ARG 81 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 2f3i n PRO 82 N 2.30 -0.95 0.00 2.89 -0.02 -1.26 -4.68 135.00 133.28 2f3i n PRO 82 Ca 0.22 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2f3i n PRO 82 Cb 0.09 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2f3i n PRO 82 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2f3i n SER 83 N -0.13 3.33 -3.98 2.55 7.64 -0.23 -5.07 113.62 117.73 2f3i n SER 83 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2f3i n SER 83 Cb 0.13 0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 2f3i n SER 83 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f3i n ARG 84 N -1.64 -1.99 -1.18 1.43 5.12 -1.04 -1.16 116.66 116.19 2f3i n ARG 84 Ca 0.00 0.31 -0.08 0.00 -1.93 0.00 0.00 57.85 56.15 2f3i n ARG 84 Cb 0.34 -3.98 -0.03 0.00 -1.16 0.00 0.00 32.46 27.63 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f3i n ALA 85 N -4.49 -0.12 0.16 7.54 0.00 -1.26 -4.84 120.51 117.50 2f3i n ALA 85 Ca -0.24 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2f3i n ALA 85 Cb 0.65 -1.60 0.53 0.00 0.00 0.00 0.00 19.45 19.04 2f3i n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2f3i n ASP 86 N -0.87 0.52 0.28 0.00 2.03 -0.31 -1.69 116.55 116.50 2f3i n ASP 86 Ca -0.08 0.74 0.16 0.00 0.52 0.00 0.00 54.79 56.13 2f3i n ASP 86 Cb 0.53 -0.81 0.79 0.00 -0.72 0.00 0.00 41.12 40.92 2f3i n ASP 86 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2f3i h GLN 87 N 0.00 0.00 -4.98 -0.67 7.50 -1.88 -3.42 115.11 111.65 2f3i h GLN 87 Ca 0.00 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 58.84 2f3i h GLN 87 Cb 0.02 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.39 2f3i h GLN 87 CO 0.00 0.00 -0.72 -0.06 -1.50 0.00 0.00 178.83 176.55 2f3i s PHE 88 N -4.22 1.15 0.12 2.96 0.08 -0.68 -5.00 117.98 112.39 2f3i s PHE 88 Ca -0.04 -0.75 -0.00 0.00 0.12 0.00 0.00 56.93 56.26 2f3i s PHE 88 Cb 0.10 -0.61 -0.15 0.00 -0.57 0.00 0.00 43.02 41.79 2f3i s PHE 88 CO 0.34 0.02 1.26 0.93 -0.10 0.00 0.00 175.22 177.67 2f3i h GLU 89 N 3.03 0.23 -2.85 0.44 3.07 -1.10 -3.47 114.58 113.93 2f3i h GLU 89 Ca -0.37 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.16 2f3i h GLU 89 Cb 1.19 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 29.07 2f3i h GLU 89 CO 0.61 1.08 0.21 -0.47 -1.40 0.00 0.00 179.01 179.04 2f3i s TYR 90 N -2.93 -0.55 0.01 4.33 5.04 -0.57 -4.97 117.35 117.70 2f3i s TYR 90 Ca -0.03 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 2f3i s TYR 90 Cb 0.09 0.54 -0.01 0.00 0.35 0.00 0.00 41.96 42.93 2f3i s TYR 90 CO 0.85 -0.81 -0.02 0.14 -1.34 0.00 0.00 175.55 174.37 2f3i s VAL 91 N -3.39 0.11 -0.11 3.14 -7.23 -1.26 -0.88 120.40 110.76 2f3i s VAL 91 Ca -0.00 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.52 2f3i s VAL 91 Cb -0.01 -0.18 0.04 0.00 0.56 0.00 0.00 36.38 36.79 2f3i s VAL 91 CO -0.10 -0.24 0.41 -0.32 -0.31 0.00 0.00 175.10 174.55 2f3i s MET 92 N -0.75 0.58 -0.46 4.82 0.00 -0.22 -4.99 119.30 118.27 2f3i s MET 92 Ca -0.08 0.36 0.06 0.00 0.00 0.00 0.00 55.69 56.03 2f3i s MET 92 Cb -0.05 0.28 0.20 0.00 0.00 0.00 0.00 34.83 35.26 2f3i s MET 92 CO -0.00 -0.11 0.46 0.98 0.00 0.00 0.00 175.02 176.34 2f3i n TYR 93 N 2.29 0.19 -1.75 4.11 4.19 -1.26 -1.23 117.16 123.69 2f3i n TYR 93 Ca -0.16 -3.59 0.00 0.00 3.31 0.00 0.00 57.90 57.46 2f3i n TYR 93 Cb 0.57 -0.13 0.00 0.00 0.49 0.00 0.00 39.34 40.27 2f3i n TYR 93 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2f3i n GLY 94 N 2.06 1.01 2.95 2.98 0.00 -1.01 -4.92 105.19 108.26 2f3i n GLY 94 Ca 0.26 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 2f3i n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3i s LYS 95 N 0.32 1.30 0.47 1.61 1.02 -0.46 -4.32 119.74 119.67 2f3i s LYS 95 Ca 0.00 -0.26 -0.21 0.00 0.02 0.00 0.00 55.97 55.52 2f3i s LYS 95 Cb 0.00 -1.17 -0.08 0.00 -0.52 0.00 0.00 37.83 36.05 2f3i s LYS 95 CO 0.00 -0.05 1.05 0.08 -0.92 0.00 0.00 175.35 175.51 2f3i s VAL 96 N 0.88 3.71 -0.39 3.17 1.01 -1.26 -1.62 120.40 125.90 2f3i s VAL 96 Ca -0.11 1.13 0.10 0.00 0.00 0.00 0.00 61.98 63.10 2f3i s VAL 96 Cb -0.15 -3.50 0.30 0.00 0.00 0.00 0.00 36.38 33.03 2f3i s VAL 96 CO 0.01 -0.16 0.67 -1.22 0.00 0.00 0.00 175.10 174.40 2f3i n TYR 97 N -0.74 -0.40 -3.89 5.22 4.01 0.34 -4.65 117.16 117.05 2f3i n TYR 97 Ca 0.08 -3.51 -0.11 0.00 -0.16 0.00 0.00 57.90 54.20 2f3i n TYR 97 Cb 0.51 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 2f3i n TYR 97 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2f3i s ARG 98 N -1.59 2.15 0.45 -0.72 6.06 -1.26 -4.38 118.95 119.67 2f3i s ARG 98 Ca 0.36 -1.55 0.03 0.00 -2.50 0.00 0.00 55.73 52.07 2f3i s ARG 98 Cb 0.26 0.57 -0.01 0.00 0.06 0.00 0.00 34.95 35.84 2f3i s ARG 98 CO -0.10 -0.98 0.09 0.44 -2.50 0.00 0.00 175.30 172.26 2f3i n ILE 99 N -0.55 0.00 0.00 4.11 -0.00 -1.26 -4.78 119.36 116.88 2f3i n ILE 99 Ca -0.06 -2.42 0.00 0.00 -0.00 0.00 0.00 62.75 60.27 2f3i n ILE 99 Cb 0.60 0.72 0.00 0.00 -0.00 0.00 0.00 39.64 40.96 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2f3i n GLU 100 N -1.07 0.00 0.00 6.28 0.28 -1.26 -4.13 120.64 120.74 2f3i n GLU 100 Ca -0.12 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2f3i n GLU 100 Cb 0.63 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.00 2f3i n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2f3i n GLY 101 N -1.33 -0.46 2.01 -1.84 0.00 -1.26 -4.36 105.19 97.95 2f3i n GLY 101 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2f3i n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3i n ASP 102 N 0.00 -0.31 -2.70 1.61 2.03 -1.26 -4.57 116.55 111.35 2f3i n ASP 102 Ca 0.00 0.19 -0.06 0.00 0.52 0.00 0.00 54.79 55.44 2f3i n ASP 102 Cb 0.00 0.41 0.10 0.00 -0.72 0.00 0.00 41.12 40.91 2f3i n ASP 102 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2f3i n GLU 103 N -2.83 0.55 -1.41 -0.67 2.13 -1.26 -4.97 120.64 112.18 2f3i n GLU 103 Ca 0.00 -1.29 -0.37 0.00 0.66 0.00 0.00 57.16 56.16 2f3i n GLU 103 Cb 0.00 -0.63 0.06 0.00 0.27 0.00 0.00 31.44 31.14 2f3i n GLU 103 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2f3i n THR 104 N 0.65 2.56 0.00 6.31 -2.24 -1.26 -4.69 114.28 115.61 2f3i n THR 104 Ca 0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2f3i n THR 104 Cb 0.72 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2f3i n THR 104 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2f3i n SER 105 N -0.49 0.00 0.06 3.42 3.41 -1.26 -4.94 113.62 113.81 2f3i n SER 105 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2f3i n SER 105 Cb 0.49 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2f3i n THR 106 N -1.95 0.00 -2.68 6.66 -2.24 -1.26 -5.00 114.28 107.81 2f3i n THR 106 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2f3i n THR 106 Cb 0.00 -0.43 0.10 0.00 -2.10 0.00 0.00 70.33 67.91 2f3i n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2f3i n GLU 107 N -2.83 1.08 -0.04 -0.78 0.28 -1.26 -4.91 120.64 112.18 2f3i n GLU 107 Ca 0.00 -1.44 -0.10 0.00 -0.16 0.00 0.00 57.16 55.46 2f3i n GLU 107 Cb 0.00 0.10 0.05 0.00 1.43 0.00 0.00 31.44 33.01 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f3i h ALA 108 N 1.53 0.71 -2.23 -1.84 0.00 -1.92 -3.44 119.26 112.07 2f3i h ALA 108 Ca -0.35 -0.47 -0.31 0.00 0.00 0.00 0.00 54.91 53.78 2f3i h ALA 108 Cb 1.28 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2f3i h ALA 108 CO -0.12 0.67 -0.71 0.00 0.00 0.00 0.00 179.25 179.09 2f3i s ALA 109 N -4.21 1.39 0.00 0.00 0.00 -1.26 -4.85 121.76 112.82 2f3i s ALA 109 Ca -0.09 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2f3i s ALA 109 Cb 0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2f3i s ALA 109 CO 0.85 -0.11 0.43 0.25 0.00 0.00 0.00 175.76 177.17 2f3i n THR 110 N -0.17 0.13 -4.14 0.00 -2.24 -1.26 -4.86 114.28 101.73 2f3i n THR 110 Ca -0.11 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 2f3i n THR 110 Cb 0.61 1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 69.91 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3i s ARG 111 N -0.13 0.53 0.47 -0.78 3.00 -1.26 -4.72 118.95 116.06 2f3i s ARG 111 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 55.73 55.00 2f3i s ARG 111 Cb 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 34.95 34.45 2f3i s ARG 111 CO 0.00 0.10 1.01 -1.17 0.00 0.00 0.00 175.30 175.24 2f3i s LEU 112 N -0.93 3.87 0.09 2.53 2.96 0.45 -4.35 118.68 123.29 2f3i s LEU 112 Ca -0.04 1.85 0.06 0.00 -0.22 0.00 0.00 54.13 55.79 2f3i s LEU 112 Cb -0.06 -4.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.04 2f3i s LEU 112 CO 0.00 -0.66 -0.17 -0.44 -1.32 0.00 0.00 176.35 173.76 2f3i s SER 113 N -2.06 2.06 0.00 3.68 0.01 -1.26 -1.72 113.70 114.41 2f3i s SER 113 Ca 0.66 -0.65 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 2f3i s SER 113 Cb -0.14 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 2f3i s SER 113 CO 0.18 -0.02 0.10 0.00 0.41 0.00 0.00 173.24 173.91 2f3i s ALA 114 N -1.26 -0.24 -0.02 1.44 0.00 0.13 -4.43 121.76 117.38 2f3i s ALA 114 Ca 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2f3i s ALA 114 Cb -0.10 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2f3i s ALA 114 CO 0.03 -0.19 -0.06 0.71 0.00 0.00 0.00 175.76 176.26 2f3i s TYR 115 N -1.28 0.68 -0.01 0.00 1.51 -1.26 -0.37 117.35 116.61 2f3i s TYR 115 Ca -0.14 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2f3i s TYR 115 Cb -0.08 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 2f3i s TYR 115 CO 0.01 -0.09 0.07 0.08 -1.11 0.00 0.00 175.55 174.51 2f3i s VAL 116 N 0.33 0.04 0.01 0.71 1.01 -0.57 -0.51 120.40 121.43 2f3i s VAL 116 Ca -0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2f3i s VAL 116 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2f3i s VAL 116 CO -0.00 -0.19 -0.08 -0.44 0.00 0.00 0.00 175.10 174.39 2f3i s SER 117 N -0.58 0.92 -0.27 3.32 0.01 -0.64 -0.63 113.70 115.83 2f3i s SER 117 Ca -0.07 -0.27 -0.20 0.00 1.31 0.00 0.00 55.95 56.73 2f3i s SER 117 Cb -0.04 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.20 2f3i s SER 117 CO 0.00 0.01 0.70 -0.47 0.41 0.00 0.00 173.24 173.89 2f3i s TYR 118 N -0.55 -0.95 -1.40 2.43 5.04 -0.63 -1.35 117.35 119.94 2f3i s TYR 118 Ca -0.01 2.05 0.00 0.00 -2.44 0.00 0.00 57.07 56.67 2f3i s TYR 118 Cb -0.05 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.74 2f3i s TYR 118 CO 0.00 -0.47 0.00 0.41 -1.34 0.00 0.00 175.55 174.16 2f3i n GLY 119 N 3.64 0.01 2.06 8.97 0.00 -1.26 -0.37 105.19 118.24 2f3i n GLY 119 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2f3i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3i n GLY 120 N -0.73 0.83 3.91 -0.02 0.00 -1.26 -5.06 105.19 102.87 2f3i n GLY 120 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2f3i n GLY 120 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2f3i s LEU 121 N 0.00 4.19 0.10 0.99 0.05 0.50 -4.96 118.68 119.55 2f3i s LEU 121 Ca 0.00 0.55 0.03 0.00 0.05 0.00 0.00 54.13 54.76 2f3i s LEU 121 Cb 0.00 -3.32 -0.04 0.00 -2.05 0.00 0.00 46.19 40.79 2f3i s LEU 121 CO 0.00 -0.06 -0.09 -0.22 -0.55 0.00 0.00 176.35 175.43 2f3i s LEU 122 N -3.18 2.44 0.05 1.48 2.96 -0.67 -1.61 118.68 120.14 2f3i s LEU 122 Ca 0.41 -0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2f3i s LEU 122 Cb -0.11 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 2f3i s LEU 122 CO 0.28 -0.30 0.10 -0.04 -1.32 0.00 0.00 176.35 175.07 2f3i s MET 123 N -3.05 0.65 -0.03 1.98 -1.94 0.20 -0.17 119.30 116.94 2f3i s MET 123 Ca 0.08 -0.85 -0.00 0.00 -1.71 0.00 0.00 55.69 53.20 2f3i s MET 123 Cb -0.01 0.25 0.03 0.00 2.01 0.00 0.00 34.83 37.11 2f3i s MET 123 CO -0.01 -0.17 0.05 0.50 -0.01 0.00 0.00 175.02 175.39 2f3i s ARG 124 N -3.01 -0.02 -0.01 2.03 3.00 -0.36 -1.51 118.95 119.07 2f3i s ARG 124 Ca -0.02 0.22 -0.07 0.00 -1.00 0.00 0.00 55.73 54.87 2f3i s ARG 124 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 34.95 34.73 2f3i s ARG 124 CO -0.06 -0.17 0.14 -1.17 0.00 0.00 0.00 175.30 174.04 2f3i s LEU 125 N 1.10 1.51 0.04 -0.88 2.96 0.50 -0.24 118.68 123.67 2f3i s LEU 125 Ca -0.09 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2f3i s LEU 125 Cb -0.13 0.65 -0.03 0.00 0.50 0.00 0.00 46.19 47.19 2f3i s LEU 125 CO -0.04 -0.30 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.56 2f3i s GLN 126 N -1.04 0.47 0.04 1.98 -0.21 -0.48 -0.70 119.66 119.72 2f3i s GLN 126 Ca -0.11 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.12 2f3i s GLN 126 Cb -0.06 0.07 0.10 0.00 1.00 0.00 0.00 33.01 34.12 2f3i s GLN 126 CO 0.01 -0.05 1.18 0.20 -2.12 0.00 0.00 175.29 174.51 2f3i s GLY 127 N -2.04 -0.32 0.37 3.09 0.00 -0.70 -1.32 107.32 106.40 2f3i s GLY 127 Ca -0.06 0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.82 2f3i s GLY 127 CO -0.04 0.58 1.20 1.34 0.00 0.00 0.00 173.10 176.18 2f3i n ASP 128 N -0.57 2.28 -0.39 1.64 -0.08 -1.26 -0.41 116.55 117.75 2f3i n ASP 128 Ca -0.07 1.15 -0.10 0.00 -1.51 0.00 0.00 54.79 54.26 2f3i n ASP 128 Cb 0.62 -1.44 -0.09 0.00 2.34 0.00 0.00 41.12 42.55 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f3i h ALA 129 N 2.20 -0.50 0.00 -1.67 0.00 -1.87 0.21 119.26 117.63 2f3i h ALA 129 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2f3i h ALA 129 Cb 1.30 1.33 0.00 0.00 0.00 0.00 0.00 17.79 20.42 2f3i h ALA 129 CO 0.61 -0.94 0.00 0.27 0.00 0.00 0.00 179.25 179.18 2f3i n ASN 130 N -5.28 0.54 0.02 0.00 0.23 -1.26 -0.99 115.26 108.51 2f3i n ASN 130 Ca 0.02 0.63 -0.03 0.00 -0.53 0.00 0.00 54.58 54.68 2f3i n ASN 130 Cb 0.28 -0.74 -0.10 0.00 -2.08 0.00 0.00 39.78 37.14 2f3i n ASN 130 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2f3i h ASN 131 N 0.00 0.00 1.22 0.53 4.21 -1.23 -3.22 115.58 117.09 2f3i h ASN 131 Ca 0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 2f3i h ASN 131 Cb 0.35 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 2f3i h ASN 131 CO 0.00 0.72 -0.58 0.25 -1.29 0.00 0.00 177.43 176.53 2f3i h LEU 132 N 0.00 0.00 1.79 1.61 6.46 0.75 -3.47 115.31 122.46 2f3i h LEU 132 Ca -0.19 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.27 2f3i h LEU 132 Cb 1.72 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.62 2f3i h LEU 132 CO 0.06 0.58 -0.42 1.57 -0.62 0.00 0.00 178.44 179.61 2f3i n HIS 133 N -3.34 -1.58 -3.15 1.25 -0.00 -0.16 -4.89 115.22 103.34 2f3i n HIS 133 Ca 0.01 0.20 -0.08 0.00 0.46 0.00 0.00 57.72 58.31 2f3i n HIS 133 Cb 0.73 -3.01 -0.03 0.00 -0.12 0.00 0.00 29.99 27.55 2f3i n HIS 133 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2f3i s GLY 134 N -2.31 -0.71 -0.02 1.57 0.00 -1.26 -5.04 107.32 99.54 2f3i s GLY 134 Ca 0.15 -0.51 -0.37 0.00 0.00 0.00 0.00 44.72 44.00 2f3i s GLY 134 CO 0.19 3.28 1.58 0.69 0.00 0.00 0.00 173.10 178.84 2f3i n PHE 135 N 3.85 1.94 -0.84 1.90 3.72 -1.26 -4.79 117.46 121.98 2f3i n PHE 135 Ca 0.15 0.43 -0.30 0.00 -0.05 0.00 0.00 57.45 57.68 2f3i n PHE 135 Cb 0.53 -2.46 0.24 0.00 -0.94 0.00 0.00 39.48 36.85 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2f3i s GLU 136 N 1.96 -1.34 0.00 -1.08 8.01 -1.26 -3.28 118.70 121.72 2f3i s GLU 136 Ca 0.88 0.21 0.00 0.00 0.01 0.00 0.00 54.97 56.08 2f3i s GLU 136 Cb -0.89 -1.56 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 2f3i s GLU 136 CO 0.51 -3.85 0.00 0.28 0.01 0.00 0.00 175.26 172.21 2f3i n VAL 137 N -4.91 0.00 -2.71 2.63 0.31 -1.26 -4.60 118.33 107.78 2f3i n VAL 137 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.35 2f3i n VAL 137 Cb 0.58 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.61 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2f3i n ASP 138 N 0.26 -2.08 0.07 4.52 2.03 -1.24 -4.64 116.55 115.47 2f3i n ASP 138 Ca 0.00 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.07 2f3i n ASP 138 Cb 0.00 1.72 0.00 0.00 -0.72 0.00 0.00 41.12 42.12 2f3i n ASP 138 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2f3i n SER 139 N 0.31 -0.56 0.00 1.67 7.64 -1.20 -4.86 113.62 116.62 2f3i n SER 139 Ca 0.03 0.25 0.07 0.00 1.01 0.00 0.00 58.87 60.22 2f3i n SER 139 Cb 0.72 0.67 0.39 0.00 -1.01 0.00 0.00 64.21 64.99 2f3i n SER 139 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f3i n ARG 140 N -2.89 0.77 0.00 1.43 5.12 -1.26 -2.84 116.66 116.98 2f3i n ARG 140 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 2f3i n ARG 140 Cb 0.00 -1.27 0.75 0.00 -1.16 0.00 0.00 32.46 30.78 2f3i n ARG 140 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2f3i n VAL 141 N -0.77 0.00 -3.72 1.55 0.24 -1.26 -4.22 118.33 110.14 2f3i n VAL 141 Ca 0.10 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.34 62.13 2f3i n VAL 141 Cb 0.05 -0.32 -0.17 0.00 -1.47 0.00 0.00 33.84 31.92 2f3i n VAL 141 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2f3i s TYR 142 N -2.36 0.60 -0.03 6.34 -0.85 -1.13 -2.40 117.35 117.52 2f3i s TYR 142 Ca 0.34 -0.30 -0.04 0.00 -0.52 0.00 0.00 57.07 56.55 2f3i s TYR 142 Cb 0.21 -0.80 0.01 0.00 0.38 0.00 0.00 41.96 41.76 2f3i s TYR 142 CO 0.44 -0.40 0.11 -1.17 -1.52 0.00 0.00 175.55 173.00 2f3i s LEU 143 N 2.00 1.61 -0.00 -3.49 0.20 -0.37 -4.10 118.68 114.53 2f3i s LEU 143 Ca 0.03 0.08 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 2f3i s LEU 143 Cb -0.14 0.43 -0.00 0.00 -0.43 0.00 0.00 46.19 46.05 2f3i s LEU 143 CO -0.06 -0.13 0.01 -0.22 -0.29 0.00 0.00 176.35 175.66 2f3i s LEU 144 N -0.38 1.97 -0.04 -0.68 2.96 -0.13 -1.06 118.68 121.32 2f3i s LEU 144 Ca -0.05 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2f3i s LEU 144 Cb -0.03 0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.75 2f3i s LEU 144 CO 0.00 -0.06 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.56 2f3i s MET 145 N -0.25 1.20 -0.03 1.98 -2.45 -0.06 -1.16 119.30 118.54 2f3i s MET 145 Ca -0.03 -0.30 -0.12 0.00 -1.25 0.00 0.00 55.69 53.99 2f3i s MET 145 Cb -0.02 -1.08 0.02 0.00 1.25 0.00 0.00 34.83 35.01 2f3i s MET 145 CO -0.00 0.04 0.27 0.21 1.05 0.00 0.00 175.02 176.60 2f3i s LYS 146 N 0.52 0.56 0.81 4.11 2.47 -0.65 -0.57 119.74 126.99 2f3i s LYS 146 Ca -0.09 -0.10 -0.14 0.00 -1.56 0.00 0.00 55.97 54.08 2f3i s LYS 146 Cb -0.13 0.25 0.02 0.00 -1.46 0.00 0.00 37.83 36.52 2f3i s LYS 146 CO 0.02 -0.14 0.74 0.36 0.16 0.00 0.00 175.35 176.48 2f3i n LYS 147 N 1.68 0.13 -1.22 4.03 2.85 -1.26 0.07 118.16 124.43 2f3i n LYS 147 Ca -0.20 0.10 -0.31 0.00 -1.05 0.00 0.00 58.31 56.85 2f3i n LYS 147 Cb 0.56 -2.05 0.10 0.00 -0.65 0.00 0.00 35.03 32.99 2f3i n LYS 147 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2f3i s LEU 148 N -2.32 3.06 -0.32 -5.58 0.05 -1.26 -4.46 118.68 107.86 2f3i s LEU 148 Ca 0.66 1.96 0.02 0.00 0.05 0.00 0.00 54.13 56.82 2f3i s LEU 148 Cb -0.30 -4.54 0.15 0.00 -2.05 0.00 0.00 46.19 39.46 2f3i s LEU 148 CO 0.58 -2.22 0.36 0.00 -0.55 0.00 0.00 176.35 174.52 2f3i s ALA 149 N -2.71 -0.75 0.00 1.48 0.00 -1.26 -5.02 121.76 113.50 2f3i s ALA 149 Ca 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2f3i s ALA 149 Cb -0.20 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2f3i s ALA 149 CO 0.54 -1.87 0.00 1.97 0.00 0.00 0.00 175.76 176.40