#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 3.26 0.00 3.04 0.00 -1.25 -1.20 121.76 125.61 2f3i s ALA 2 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2f3i s ALA 2 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2f3i s ALA 2 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2f3i n GLY 3 N 0.67 -0.61 3.28 0.00 0.00 -0.33 -4.84 105.19 103.36 2f3i n GLY 3 Ca 0.04 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.00 0.00 -0.61 1.10 -1.26 -4.47 121.20 113.95 2f3i s ILE 4 Ca 0.00 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.15 2f3i s ILE 4 Cb 0.00 -0.56 0.00 0.00 0.15 0.00 0.00 42.46 42.05 2f3i s ILE 4 CO 0.00 0.01 0.00 -0.11 -2.11 0.00 0.00 174.94 172.73 2f3i n LEU 5 N 3.06 0.00 -3.75 8.50 7.94 -1.26 -5.04 117.00 126.46 2f3i n LEU 5 Ca -0.15 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.63 2f3i n LEU 5 Cb 0.57 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.40 2f3i n LEU 5 CO 0.13 0.00 -0.09 0.12 -1.11 0.00 0.00 177.39 176.44 2f3i s PHE 6 N 0.00 -0.34 -0.12 1.96 2.19 -1.26 -5.04 117.98 115.37 2f3i s PHE 6 Ca 0.00 0.80 -0.10 0.00 0.33 0.00 0.00 56.93 57.96 2f3i s PHE 6 Cb 0.00 0.09 0.03 0.00 -1.31 0.00 0.00 43.02 41.83 2f3i s PHE 6 CO 0.00 -0.21 0.31 -2.00 1.83 0.00 0.00 175.22 175.15 2f3i s GLU 7 N 0.82 0.34 -0.01 10.12 2.12 -1.26 -4.10 118.70 126.73 2f3i s GLU 7 Ca -0.06 0.46 -0.17 0.00 0.36 0.00 0.00 54.97 55.56 2f3i s GLU 7 Cb -0.07 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.49 2f3i s GLU 7 CO -0.05 -0.06 0.36 0.34 -0.54 0.00 0.00 175.26 175.31 2f3i s ASP 8 N 0.35 -0.25 0.54 -1.70 2.15 -0.62 -4.99 116.67 112.14 2f3i s ASP 8 Ca -0.02 0.14 -0.18 0.00 0.43 0.00 0.00 52.55 52.93 2f3i s ASP 8 Cb -0.03 0.35 -0.06 0.00 -0.30 0.00 0.00 42.92 42.88 2f3i s ASP 8 CO -0.01 -0.49 1.04 -0.63 -0.17 0.00 0.00 175.17 174.90 2f3i s ILE 9 N -1.47 3.88 0.04 4.11 1.09 -1.26 -0.71 121.20 126.87 2f3i s ILE 9 Ca -0.12 1.01 0.04 0.00 -1.10 0.00 0.00 60.65 60.47 2f3i s ILE 9 Cb -0.04 -3.44 -0.02 0.00 -1.06 0.00 0.00 42.46 37.90 2f3i s ILE 9 CO 0.04 -0.41 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.00 2f3i s PHE 10 N -2.27 0.97 -0.16 3.97 0.40 0.68 -0.59 117.98 120.98 2f3i s PHE 10 Ca 0.65 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 2f3i s PHE 10 Cb -0.15 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.82 2f3i s PHE 10 CO 0.29 -0.00 -0.15 0.34 0.70 0.00 0.00 175.22 176.40 2f3i s ASP 11 N -1.20 2.79 -0.12 1.36 2.15 0.01 -1.63 116.67 120.03 2f3i s ASP 11 Ca -0.02 -0.53 -0.30 0.00 0.43 0.00 0.00 52.55 52.13 2f3i s ASP 11 Cb -0.08 -1.23 -0.01 0.00 -0.30 0.00 0.00 42.92 41.30 2f3i s ASP 11 CO 0.01 -0.05 1.09 -0.69 -0.17 0.00 0.00 175.17 175.35 2f3i s VAL 12 N 1.45 4.58 -0.10 1.11 1.01 -0.31 -1.30 120.40 126.84 2f3i s VAL 12 Ca 0.05 1.88 -0.08 0.00 0.00 0.00 0.00 61.98 63.82 2f3i s VAL 12 Cb -0.13 -4.21 -0.28 0.00 0.00 0.00 0.00 36.38 31.76 2f3i s VAL 12 CO -0.11 -0.04 0.47 0.11 0.00 0.00 0.00 175.10 175.52 2f3i h LYS 13 N 7.35 0.31 -3.17 2.72 1.79 -0.78 -3.37 116.57 121.42 2f3i h LYS 13 Ca -0.29 -0.53 0.03 0.00 -2.18 0.00 0.00 60.65 57.67 2f3i h LYS 13 Cb 1.13 0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 31.92 2f3i h LYS 13 CO 0.89 1.25 0.15 0.34 -1.08 0.00 0.00 179.45 181.01 2f3i s ASP 14 N -7.13 -0.18 0.00 0.86 2.15 -0.71 -4.91 116.67 106.76 2f3i s ASP 14 Ca -0.20 -0.74 -0.03 0.00 0.43 0.00 0.00 52.55 52.00 2f3i s ASP 14 Cb 0.06 0.71 -0.01 0.00 -0.30 0.00 0.00 42.92 43.38 2f3i s ASP 14 CO 0.80 -1.33 0.05 -0.63 -0.17 0.00 0.00 175.17 173.88 2f3i s ILE 15 N -3.79 0.08 -0.19 4.11 1.09 -1.26 -1.07 121.20 120.16 2f3i s ILE 15 Ca 0.14 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 59.03 2f3i s ILE 15 Cb -0.05 -0.27 0.08 0.00 -1.06 0.00 0.00 42.46 41.16 2f3i s ILE 15 CO 0.08 -0.34 0.19 -0.62 -0.10 0.00 0.00 174.94 174.15 2f3i s ASP 16 N -1.07 1.57 0.00 3.58 -1.08 -0.12 -4.96 116.67 114.58 2f3i s ASP 16 Ca -0.12 -0.28 0.02 0.00 -0.52 0.00 0.00 52.55 51.65 2f3i s ASP 16 Cb -0.07 0.23 0.12 0.00 -1.46 0.00 0.00 42.92 41.74 2f3i s ASP 16 CO 0.00 -0.33 0.41 -2.65 0.52 0.00 0.00 175.17 173.12 2f3i n PRO 17 N 5.31 0.23 -4.25 4.34 -0.02 -1.26 -0.72 135.00 138.63 2f3i n PRO 17 Ca -0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 2f3i n PRO 17 Cb 0.49 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.63 -2.95 -2.61 -0.52 -0.58 -1.26 -0.71 120.64 111.39 2f3i n GLU 18 Ca 0.01 0.35 -0.05 0.00 -0.42 0.00 0.00 57.16 57.05 2f3i n GLU 18 Cb 0.01 -5.08 0.01 0.00 -0.57 0.00 0.00 31.44 25.81 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 -1.35 0.50 3.91 0.62 0.00 -1.26 -3.31 105.19 104.30 2f3i n GLY 19 Ca 0.09 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2f3i n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2f3i n LYS 20 N -1.54 -1.17 -0.25 1.61 3.00 0.12 -4.87 118.16 115.05 2f3i n LYS 20 Ca -0.01 0.28 0.11 0.00 -0.00 0.00 0.00 58.31 58.70 2f3i n LYS 20 Cb 0.52 -3.57 0.39 0.00 0.00 0.00 0.00 35.03 32.36 2f3i n LYS 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2f3i h LYS 21 N -2.15 0.66 -4.26 1.64 1.63 -1.14 -3.41 116.57 109.53 2f3i h LYS 21 Ca -0.68 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 58.95 2f3i h LYS 21 Cb 1.38 -0.15 -0.15 0.00 -0.60 0.00 0.00 32.23 32.71 2f3i h LYS 21 CO 0.53 0.44 -0.67 -0.06 -3.45 0.00 0.00 179.45 176.24 2f3i s PHE 22 N -5.65 0.57 0.42 1.91 0.08 -1.26 -5.06 117.98 109.00 2f3i s PHE 22 Ca -0.10 -1.09 0.25 0.00 0.12 0.00 0.00 56.93 56.12 2f3i s PHE 22 Cb 0.21 -0.40 1.39 0.00 -0.57 0.00 0.00 43.02 43.65 2f3i s PHE 22 CO 0.78 -0.41 2.06 0.22 -0.10 0.00 0.00 175.22 177.78 2f3i h ASP 23 N 3.09 0.00 0.00 1.36 3.58 -1.98 -3.29 116.42 119.18 2f3i h ASP 23 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2f3i h ASP 23 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2f3i h ASP 23 CO 0.64 0.13 -0.27 -2.11 -2.88 0.00 0.00 179.24 174.76 2f3i n ARG 24 N -3.74 0.32 -4.33 0.28 1.85 -1.26 -5.01 116.66 104.77 2f3i n ARG 24 Ca -0.02 -1.06 -0.22 0.00 -1.00 0.00 0.00 57.85 55.55 2f3i n ARG 24 Cb 0.24 -0.64 -0.16 0.00 -1.05 0.00 0.00 32.46 30.84 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 -0.38 0.83 0.09 8.89 1.01 -1.24 -0.52 120.40 129.08 2f3i s VAL 25 Ca 0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2f3i s VAL 25 Cb 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2f3i s VAL 25 CO 0.00 0.29 0.23 -0.44 0.00 0.00 0.00 175.10 175.19 2f3i s SER 26 N 0.86 0.04 0.47 3.32 0.01 -0.56 -3.98 113.70 113.85 2f3i s SER 26 Ca -0.12 -0.56 -0.23 0.00 1.31 0.00 0.00 55.95 56.36 2f3i s SER 26 Cb -0.15 0.36 -0.07 0.00 0.21 0.00 0.00 66.02 66.37 2f3i s SER 26 CO 0.01 -0.74 1.18 -0.60 0.41 0.00 0.00 173.24 173.50 2f3i s ARG 27 N -3.74 3.70 0.17 12.44 3.52 0.10 -1.53 118.95 133.61 2f3i s ARG 27 Ca 0.04 1.81 0.07 0.00 -0.13 0.00 0.00 55.73 57.51 2f3i s ARG 27 Cb 0.04 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 2f3i s ARG 27 CO -0.11 -0.61 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.12 2f3i s LEU 28 N -3.08 2.50 -0.03 -0.88 1.02 0.69 -0.95 118.68 117.96 2f3i s LEU 28 Ca 0.64 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.85 2f3i s LEU 28 Cb -0.29 -0.61 0.02 0.00 0.02 0.00 0.00 46.19 45.32 2f3i s LEU 28 CO 0.36 -0.17 -0.03 -2.28 0.02 0.00 0.00 176.35 174.24 2f3i s HIS 29 N -2.71 0.51 0.25 0.29 5.65 -0.23 -1.10 115.29 117.95 2f3i s HIS 29 Ca 0.17 -0.10 -0.01 0.00 0.25 0.00 0.00 55.06 55.37 2f3i s HIS 29 Cb -0.02 -0.48 -0.03 0.00 -1.18 0.00 0.00 32.58 30.87 2f3i s HIS 29 CO 0.05 -0.13 0.26 0.00 -0.65 0.00 0.00 174.74 174.27 2f3i s GLU 31 N -3.85 0.15 0.24 0.00 2.12 -0.42 -1.40 118.70 115.54 2f3i s GLU 31 Ca 0.36 -0.18 -0.14 0.00 0.36 0.00 0.00 54.97 55.37 2f3i s GLU 31 Cb 0.04 0.06 -0.08 0.00 0.26 0.00 0.00 34.13 34.41 2f3i s GLU 31 CO 0.16 -0.03 0.64 -1.54 -0.54 0.00 0.00 175.26 173.96 2f3i s SER 32 N -0.52 6.81 0.03 -1.70 1.04 -0.33 -0.81 113.70 118.22 2f3i s SER 32 Ca -0.06 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.37 2f3i s SER 32 Cb -0.04 -2.33 -0.28 0.00 0.10 0.00 0.00 66.02 63.48 2f3i s SER 32 CO -0.00 -0.05 1.07 -0.08 0.98 0.00 0.00 173.24 175.16 2f3i h GLU 33 N 2.87 0.53 0.00 4.02 4.57 -1.20 -3.33 114.58 122.04 2f3i h GLU 33 Ca -0.48 -0.69 -0.11 0.00 -1.18 0.00 0.00 59.36 56.91 2f3i h GLU 33 Cb 1.18 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.97 2f3i h GLU 33 CO 0.66 1.29 -1.55 0.43 -1.18 0.00 0.00 179.01 178.66 2f3i n SER 34 N -3.96 2.82 -0.31 1.04 7.64 -1.26 -4.70 113.62 114.89 2f3i n SER 34 Ca -0.13 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.83 2f3i n SER 34 Cb 0.88 0.95 0.16 0.00 -1.01 0.00 0.00 64.21 65.19 2f3i n SER 34 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2f3i n PHE 35 N -2.17 0.00 -2.12 1.43 3.72 -1.26 -5.02 117.46 112.04 2f3i n PHE 35 Ca -0.10 -1.12 -0.04 0.00 -0.05 0.00 0.00 57.45 56.14 2f3i n PHE 35 Cb 0.61 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.22 -2.32 -2.30 -1.08 2.85 -1.25 -4.89 118.16 107.94 2f3i n LYS 36 Ca 0.16 0.19 -0.35 0.00 -1.05 0.00 0.00 58.31 57.26 2f3i n LYS 36 Cb 0.67 -4.60 -0.01 0.00 -0.65 0.00 0.00 35.03 30.44 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2f3i s MET 37 N -4.30 3.50 -0.13 -1.58 -1.94 -1.26 -4.81 119.30 108.78 2f3i s MET 37 Ca 0.00 1.61 -0.01 0.00 -1.71 0.00 0.00 55.69 55.58 2f3i s MET 37 Cb 0.00 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.72 2f3i s MET 37 CO 0.00 -0.73 -0.10 0.34 -0.01 0.00 0.00 175.02 174.53 2f3i s ASP 38 N -1.72 4.30 0.01 3.03 2.15 -0.42 -1.19 116.67 122.82 2f3i s ASP 38 Ca 0.70 -0.24 0.03 0.00 0.43 0.00 0.00 52.55 53.47 2f3i s ASP 38 Cb -0.24 -1.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.77 2f3i s ASP 38 CO 0.27 0.19 -0.09 -0.22 -0.17 0.00 0.00 175.17 175.15 2f3i s LEU 39 N 0.23 2.06 0.01 -1.34 2.96 -0.49 -1.15 118.68 120.96 2f3i s LEU 39 Ca -0.06 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2f3i s LEU 39 Cb -0.15 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 2f3i s LEU 39 CO 0.04 0.06 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.28 2f3i s ILE 40 N -0.41 1.78 0.04 6.68 -1.09 0.31 -1.02 121.20 127.49 2f3i s ILE 40 Ca 0.01 -1.11 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 2f3i s ILE 40 Cb -0.04 -1.51 0.01 0.00 -1.58 0.00 0.00 42.46 39.34 2f3i s ILE 40 CO -0.00 0.37 0.27 -0.22 -1.23 0.00 0.00 174.94 174.13 2f3i s LEU 41 N -0.87 1.03 -0.13 2.97 2.96 -0.25 -0.87 118.68 123.52 2f3i s LEU 41 Ca 0.09 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2f3i s LEU 41 Cb -0.09 1.23 0.05 0.00 0.50 0.00 0.00 46.19 47.88 2f3i s LEU 41 CO 0.01 -0.59 0.05 -0.62 -1.32 0.00 0.00 176.35 173.87 2f3i s ASP 42 N -2.05 2.13 0.21 3.68 2.15 0.43 -0.22 116.67 123.00 2f3i s ASP 42 Ca -0.05 -0.43 -0.13 0.00 0.43 0.00 0.00 52.55 52.37 2f3i s ASP 42 Cb -0.01 -0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 2f3i s ASP 42 CO -0.03 -0.28 0.43 0.54 -0.17 0.00 0.00 175.17 175.66 2f3i s VAL 43 N 2.02 0.03 0.33 1.11 0.11 -0.59 -1.92 120.40 121.48 2f3i s VAL 43 Ca 0.02 -1.25 -0.29 0.00 -2.93 0.00 0.00 61.98 57.53 2f3i s VAL 43 Cb -0.15 -1.95 -0.11 0.00 -1.53 0.00 0.00 36.38 32.65 2f3i s VAL 43 CO -0.07 -0.12 1.55 0.21 -3.33 0.00 0.00 175.10 173.35 2f3i s ASN 44 N -2.97 6.37 0.00 3.54 2.47 -1.26 -1.50 114.94 121.58 2f3i s ASN 44 Ca 0.18 2.99 0.01 0.00 0.42 0.00 0.00 52.86 56.45 2f3i s ASN 44 Cb 0.00 -2.65 0.02 0.00 -1.45 0.00 0.00 41.25 37.18 2f3i s ASN 44 CO 0.03 -0.89 0.93 2.30 -3.72 0.00 0.00 177.10 175.75 2f3i n ILE 45 N 1.49 0.80 0.31 -5.21 -6.64 0.33 -4.59 119.36 105.84 2f3i n ILE 45 Ca 0.05 -0.90 0.19 0.00 -1.77 0.00 0.00 62.75 60.33 2f3i n ILE 45 Cb 0.38 0.60 0.91 0.00 -1.44 0.00 0.00 39.64 40.10 2f3i n ILE 45 CO 0.00 0.00 0.00 0.06 -1.77 0.00 0.00 176.55 174.84 2f3i h GLN 46 N 0.19 0.00 -0.30 6.28 3.07 -1.94 -0.87 115.11 121.54 2f3i h GLN 46 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2f3i h GLN 46 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 2f3i h GLN 46 CO 0.00 0.00 -0.00 0.82 0.09 0.00 0.00 178.83 179.74 2f3i h ILE 47 N 0.00 1.18 -3.76 1.86 2.04 -1.95 -3.46 117.51 113.42 2f3i h ILE 47 Ca 0.00 -0.72 -0.53 0.00 1.00 0.00 0.00 64.86 64.61 2f3i h ILE 47 Cb 0.26 0.96 0.07 0.00 -0.74 0.00 0.00 36.82 37.37 2f3i h ILE 47 CO 0.00 0.25 0.68 -0.47 0.00 0.00 0.00 178.15 178.61 2f3i s TYR 48 N -4.97 2.98 1.12 1.37 5.04 -0.34 -5.04 117.35 117.52 2f3i s TYR 48 Ca -0.07 1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 55.67 2f3i s TYR 48 Cb 0.16 -3.76 0.25 0.00 0.35 0.00 0.00 41.96 38.96 2f3i s TYR 48 CO 0.75 -2.19 1.17 -1.25 -1.34 0.00 0.00 175.55 172.69 2f3i s PRO 49 N -1.47 -0.58 0.47 4.97 0.04 -1.26 -4.97 135.00 132.20 2f3i s PRO 49 Ca 0.52 -0.14 0.27 0.00 0.04 0.00 0.00 61.00 61.68 2f3i s PRO 49 Cb -0.41 -1.68 1.06 0.00 0.04 0.00 0.00 34.50 33.51 2f3i s PRO 49 CO 0.52 -3.27 1.88 -0.39 0.04 0.00 0.00 177.00 175.78 2f3i h VAL 50 N -2.26 0.41 -4.16 -0.36 -1.51 -1.96 -3.45 116.25 102.96 2f3i h VAL 50 Ca -0.45 -0.93 -0.51 0.00 -1.23 0.00 0.00 66.70 63.58 2f3i h VAL 50 Cb 1.28 1.68 0.10 0.00 -2.13 0.00 0.00 31.29 32.21 2f3i h VAL 50 CO 0.37 0.16 0.40 -0.62 -1.23 0.00 0.00 177.57 176.64 2f3i s ASP 51 N -6.06 5.25 0.45 4.19 2.15 -1.26 -4.96 116.67 116.43 2f3i s ASP 51 Ca 0.01 2.09 0.15 0.00 0.43 0.00 0.00 52.55 55.23 2f3i s ASP 51 Cb 0.10 -2.56 1.02 0.00 -0.30 0.00 0.00 42.92 41.18 2f3i s ASP 51 CO 0.61 -1.53 1.99 0.25 -0.17 0.00 0.00 175.17 176.32 2f3i h LEU 52 N 0.41 0.00 -9.80 -1.34 5.85 -1.99 -3.44 115.31 104.99 2f3i h LEU 52 Ca -0.48 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.72 2f3i h LEU 52 Cb 1.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2f3i h LEU 52 CO 0.55 0.18 -0.56 -0.83 -0.34 0.00 0.00 178.44 177.44 2f3i s GLY 53 N -4.19 1.52 0.21 3.75 0.00 -1.26 -4.74 107.32 102.61 2f3i s GLY 53 Ca -0.04 -1.52 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 2f3i s GLY 53 CO 0.69 -1.56 0.59 -0.35 0.00 0.00 0.00 173.10 172.47 2f3i s ASP 54 N -3.80 -0.33 0.03 1.64 2.15 -1.26 -4.78 116.67 110.32 2f3i s ASP 54 Ca 0.33 -0.40 0.01 0.00 0.43 0.00 0.00 52.55 52.92 2f3i s ASP 54 Cb -0.07 0.62 -0.02 0.00 -0.30 0.00 0.00 42.92 43.15 2f3i s ASP 54 CO 0.23 -1.10 -0.05 -0.54 -0.17 0.00 0.00 175.17 173.54 2f3i s LYS 55 N -3.86 0.42 0.20 4.34 1.02 -1.26 -1.16 119.74 119.44 2f3i s LYS 55 Ca 0.08 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 2f3i s LYS 55 Cb -0.02 -0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.26 2f3i s LYS 55 CO -0.03 -0.02 0.31 1.97 -0.92 0.00 0.00 175.35 176.67 2f3i n PHE 56 N 1.42 -1.19 -4.08 3.18 1.16 -0.65 -4.69 117.46 112.61 2f3i n PHE 56 Ca -0.23 -1.22 -0.13 0.00 -1.87 0.00 0.00 57.45 53.99 2f3i n PHE 56 Cb 0.55 0.36 -0.12 0.00 -1.61 0.00 0.00 39.48 38.66 2f3i n PHE 56 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2f3i s ARG 57 N -2.34 0.50 0.05 3.97 3.52 0.51 -0.23 118.95 124.93 2f3i s ARG 57 Ca 0.14 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 2f3i s ARG 57 Cb -0.01 -0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.05 2f3i s ARG 57 CO 0.10 0.06 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.39 2f3i s LEU 58 N -1.26 2.29 -0.01 -0.88 2.96 0.11 -1.06 118.68 120.82 2f3i s LEU 58 Ca -0.08 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2f3i s LEU 58 Cb -0.08 -0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.39 2f3i s LEU 58 CO 0.00 -0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.10 2f3i s VAL 59 N -1.58 0.35 0.00 1.68 1.01 -0.48 -1.59 120.40 119.79 2f3i s VAL 59 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2f3i s VAL 59 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2f3i s VAL 59 CO 0.00 0.12 0.24 2.30 0.00 0.00 0.00 175.10 177.77 2f3i n ILE 60 N 3.29 0.04 -0.00 2.22 -6.64 -1.26 -1.21 119.36 115.80 2f3i n ILE 60 Ca -0.17 -0.09 -0.17 0.00 -1.77 0.00 0.00 62.75 60.55 2f3i n ILE 60 Cb 0.56 1.54 -0.13 0.00 -1.44 0.00 0.00 39.64 40.17 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2f3i h ALA 61 N 0.00 -0.04 -2.96 -1.28 0.00 -1.79 -3.40 119.26 109.79 2f3i h ALA 61 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2f3i h ALA 61 Cb 0.61 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2f3i h ALA 61 CO 0.00 0.22 0.14 -1.12 0.00 0.00 0.00 179.25 178.49 2f3i s SER 62 N -6.63 -0.07 0.62 0.00 0.01 -1.26 -4.90 113.70 101.47 2f3i s SER 62 Ca -0.16 -0.89 -0.17 0.00 1.31 0.00 0.00 55.95 56.04 2f3i s SER 62 Cb -0.00 0.73 -0.02 0.00 0.21 0.00 0.00 66.02 66.94 2f3i s SER 62 CO 0.77 -1.40 1.17 -0.89 0.41 0.00 0.00 173.24 173.30 2f3i s THR 63 N -3.43 2.85 -0.48 1.44 2.01 -0.34 -4.74 115.64 112.95 2f3i s THR 63 Ca 0.16 0.48 0.26 0.00 0.31 0.00 0.00 61.69 62.89 2f3i s THR 63 Cb -0.04 -3.11 0.31 0.00 0.01 0.00 0.00 72.50 69.67 2f3i s THR 63 CO 0.10 -0.16 1.74 0.25 -0.69 0.00 0.00 174.62 175.86 2f3i h LEU 64 N 0.58 0.00 -8.01 4.42 5.85 -1.84 -0.88 115.31 115.42 2f3i h LEU 64 Ca -0.49 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.13 2f3i h LEU 64 Cb 1.28 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.16 2f3i h LEU 64 CO 0.54 0.00 -0.52 -0.31 -0.34 0.00 0.00 178.44 177.81 2f3i s TYR 65 N -3.25 0.33 0.15 1.25 2.02 -1.26 -4.66 117.35 111.93 2f3i s TYR 65 Ca 0.07 -0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 2f3i s TYR 65 Cb 0.09 -0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.44 2f3i s TYR 65 CO 0.58 -0.46 0.23 -0.85 -1.57 0.00 0.00 175.55 173.48 2f3i n GLU 66 N 0.06 0.32 0.31 -0.62 0.28 -1.26 -3.88 120.64 115.86 2f3i n GLU 66 Ca -0.15 -1.15 0.19 0.00 -0.16 0.00 0.00 57.16 55.89 2f3i n GLU 66 Cb 0.62 1.15 1.01 0.00 1.43 0.00 0.00 31.44 35.64 2f3i n GLU 66 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2f3i h ASP 67 N 0.84 0.00 -0.01 -1.84 3.58 -1.88 -1.41 116.42 115.70 2f3i h ASP 67 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2f3i h ASP 67 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2f3i h ASP 67 CO 0.16 0.00 -0.29 0.61 -2.88 0.00 0.00 179.24 176.84 2f3i n GLY 68 N -1.20 -0.11 3.81 -0.78 0.00 -1.26 -2.19 105.19 103.45 2f3i n GLY 68 Ca -0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2f3i n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3i s THR 69 N -1.60 1.94 0.00 2.61 2.01 -0.53 -4.78 115.64 115.28 2f3i s THR 69 Ca 0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2f3i s THR 69 Cb 0.09 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.80 2f3i s THR 69 CO 0.32 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.43 2f3i n LEU 70 N -3.87 0.00 -3.76 4.42 4.77 -1.26 -1.47 117.00 115.83 2f3i n LEU 70 Ca 0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 2f3i n LEU 70 Cb 0.60 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.51 2f3i n LEU 70 CO 0.52 0.00 -0.38 -0.62 -1.33 0.00 0.00 177.39 175.59 2f3i s ASP 71 N -4.00 1.47 -1.48 -1.43 2.15 -1.23 -4.79 116.67 107.36 2f3i s ASP 71 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2f3i s ASP 71 Cb 0.00 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 2f3i s ASP 71 CO 0.00 -0.20 0.00 -0.67 -0.17 0.00 0.00 175.17 174.13 2f3i n ASP 72 N 5.12 -4.48 -1.32 -0.34 2.03 -1.25 -1.82 116.55 114.48 2f3i n ASP 72 Ca -0.07 0.23 -0.14 0.00 0.52 0.00 0.00 54.79 55.32 2f3i n ASP 72 Cb 0.50 -3.89 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 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 -0.64 0.62 3.14 0.27 0.00 -0.54 -4.84 105.19 103.19 2f3i n GLY 73 Ca -0.18 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 2f3i n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f3i s GLU 74 N -3.93 0.75 0.00 1.61 2.56 -0.76 -4.84 118.70 114.09 2f3i s GLU 74 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.97 54.09 2f3i s GLU 74 Cb 0.00 -0.70 0.00 0.00 2.00 0.00 0.00 34.13 35.43 2f3i s GLU 74 CO 0.00 0.15 0.42 0.66 -0.56 0.00 0.00 175.26 175.94 2f3i n TYR 75 N 1.39 0.00 0.35 5.30 4.01 -1.26 -3.48 117.16 123.46 2f3i n TYR 75 Ca -0.21 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.67 2f3i n TYR 75 Cb 0.54 -0.04 0.58 0.00 -0.31 0.00 0.00 39.34 40.11 2f3i n TYR 75 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 2f3i h ASN 76 N 0.24 0.00 0.00 7.72 7.08 -1.95 -1.63 115.58 127.04 2f3i h ASN 76 Ca 0.00 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.08 2f3i h ASN 76 Cb 0.20 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.39 2f3i h ASN 76 CO 0.00 0.00 -0.29 -0.81 -2.08 0.00 0.00 177.43 174.25 2f3i n PRO 77 N -2.58 1.73 -4.05 4.14 -0.04 -1.26 -4.69 135.00 128.25 2f3i n PRO 77 Ca 0.01 -0.74 -0.34 0.00 -0.04 0.00 0.00 63.50 62.40 2f3i n PRO 77 Cb 0.25 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 2f3i n PRO 77 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2f3i n THR 78 N 2.24 -0.54 0.28 0.52 -2.24 -1.20 -4.86 114.28 108.47 2f3i n THR 78 Ca 0.32 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 2f3i n THR 78 Cb 0.81 -1.11 0.28 0.00 -2.10 0.00 0.00 70.33 68.20 2f3i n THR 78 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2f3i h ASP 79 N -1.04 0.00 0.00 3.42 3.58 -1.57 -3.42 116.42 117.39 2f3i h ASP 79 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2f3i h ASP 79 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2f3i h ASP 79 CO 0.72 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 176.41 2f3i n ASP 80 N -2.99 0.00 -4.75 2.28 2.03 -1.21 -4.92 116.55 107.00 2f3i n ASP 80 Ca 0.04 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.93 2f3i n ASP 80 Cb 0.48 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 2f3i n ASP 80 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2f3i s ARG 81 N -1.00 4.12 -1.04 -0.67 1.81 -1.22 -1.90 118.95 119.05 2f3i s ARG 81 Ca 0.00 2.57 -0.08 0.00 -1.72 0.00 0.00 55.73 56.51 2f3i s ARG 81 Cb 0.00 -3.02 0.08 0.00 -0.45 0.00 0.00 34.95 31.56 2f3i s ARG 81 CO 0.00 -0.62 0.19 -2.30 -0.68 0.00 0.00 175.30 171.89 2f3i n PRO 82 N 2.06 -0.89 -4.16 3.54 -0.02 -1.26 -4.38 135.00 129.89 2f3i n PRO 82 Ca 0.08 0.07 -0.19 0.00 -2.02 0.00 0.00 63.50 61.43 2f3i n PRO 82 Cb 0.38 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.38 -0.59 -4.20 2.55 7.64 -0.80 -5.04 113.62 111.81 2f3i n SER 83 Ca -0.06 -3.12 -0.29 0.00 1.01 0.00 0.00 58.87 56.42 2f3i n SER 83 Cb 0.34 1.59 0.25 0.00 -1.01 0.00 0.00 64.21 65.38 2f3i n SER 83 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2f3i s ARG 84 N -3.32 -1.28 -0.10 1.43 1.81 -1.26 -4.91 118.95 111.31 2f3i s ARG 84 Ca 0.38 0.49 0.17 0.00 -1.72 0.00 0.00 55.73 55.04 2f3i s ARG 84 Cb 0.02 -1.54 0.37 0.00 -0.45 0.00 0.00 34.95 33.35 2f3i s ARG 84 CO 0.27 -3.87 1.17 0.00 -0.68 0.00 0.00 175.30 172.19 2f3i n ALA 85 N -4.97 2.88 0.19 2.13 0.00 -1.26 -4.61 120.51 114.87 2f3i n ALA 85 Ca 0.06 -2.67 0.10 0.00 0.00 0.00 0.00 53.44 50.93 2f3i n ALA 85 Cb 0.57 -0.51 0.12 0.00 0.00 0.00 0.00 19.45 19.63 2f3i n ALA 85 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2f3i h ASP 86 N 0.81 0.00 -0.52 0.00 3.58 -1.97 -3.39 116.42 114.93 2f3i h ASP 86 Ca -0.09 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.38 2f3i h ASP 86 Cb 1.38 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.40 2f3i h ASP 86 CO 0.04 0.12 0.32 1.56 -2.88 0.00 0.00 179.24 178.40 2f3i h GLN 87 N 0.00 0.61 -3.76 0.28 7.50 -1.94 -3.44 115.11 114.36 2f3i h GLN 87 Ca -0.00 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.02 2f3i h GLN 87 Cb 1.10 -0.14 -0.15 0.00 0.05 0.00 0.00 27.48 28.34 2f3i h GLN 87 CO 0.02 0.40 -0.38 -0.59 -1.50 0.00 0.00 178.83 176.78 2f3i s PHE 88 N -6.14 0.13 -0.26 2.96 -0.71 -1.26 -4.82 117.98 107.88 2f3i s PHE 88 Ca -0.13 -0.52 -0.15 0.00 -1.04 0.00 0.00 56.93 55.09 2f3i s PHE 88 Cb 0.13 -0.06 -0.14 0.00 -1.21 0.00 0.00 43.02 41.75 2f3i s PHE 88 CO 0.74 -0.52 -0.23 0.39 -1.34 0.00 0.00 175.22 174.26 2f3i n GLU 89 N 0.09 0.59 -3.74 1.99 -0.58 -0.20 -4.94 120.64 113.84 2f3i n GLU 89 Ca -0.16 0.32 -0.09 0.00 -0.42 0.00 0.00 57.16 56.82 2f3i n GLU 89 Cb 0.62 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 2f3i n GLU 89 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2f3i s TYR 90 N -2.48 -0.17 -0.01 -0.32 -0.85 -0.64 -5.01 117.35 107.87 2f3i s TYR 90 Ca -0.37 -0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2f3i s TYR 90 Cb 0.13 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.97 2f3i s TYR 90 CO 0.52 -1.01 0.04 0.54 -1.52 0.00 0.00 175.55 174.12 2f3i s VAL 91 N -3.88 0.03 0.15 -3.49 0.11 -1.26 -1.30 120.40 110.75 2f3i s VAL 91 Ca 0.09 -0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 58.75 2f3i s VAL 91 Cb -0.03 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2f3i s VAL 91 CO -0.01 -0.13 0.40 -0.32 -3.33 0.00 0.00 175.10 171.72 2f3i s MET 92 N -0.39 1.15 -0.24 1.54 0.00 0.21 -4.99 119.30 116.58 2f3i s MET 92 Ca -0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 55.69 54.79 2f3i s MET 92 Cb -0.03 0.46 0.02 0.00 0.00 0.00 0.00 34.83 35.28 2f3i s MET 92 CO -0.00 -0.46 -0.06 0.71 0.00 0.00 0.00 175.02 175.21 2f3i s TYR 93 N -3.85 3.02 0.00 4.11 2.02 -1.26 -1.58 117.35 119.82 2f3i s TYR 93 Ca 0.07 -1.41 0.00 0.00 -0.37 0.00 0.00 57.07 55.36 2f3i s TYR 93 Cb 0.01 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2f3i s TYR 93 CO -0.08 -0.69 0.00 0.41 -1.57 0.00 0.00 175.55 173.62 2f3i n GLY 94 N 4.70 1.59 2.77 0.71 0.00 0.56 -4.67 105.19 110.85 2f3i n GLY 94 Ca -0.17 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 2f3i n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f3i s LYS 95 N -0.72 0.79 0.65 1.61 2.36 0.33 -4.76 119.74 120.01 2f3i s LYS 95 Ca 0.00 -0.45 -0.14 0.00 -2.55 0.00 0.00 55.97 52.83 2f3i s LYS 95 Cb 0.00 -2.08 -0.01 0.00 -1.05 0.00 0.00 37.83 34.70 2f3i s LYS 95 CO 0.00 -0.60 1.08 0.08 1.55 0.00 0.00 175.35 177.46 2f3i s VAL 96 N 1.81 3.58 -0.25 4.02 1.01 -1.24 -1.43 120.40 127.89 2f3i s VAL 96 Ca -0.01 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 2f3i s VAL 96 Cb -0.17 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.05 2f3i s VAL 96 CO -0.08 -0.50 0.01 -0.31 0.00 0.00 0.00 175.10 174.23 2f3i s TYR 97 N -2.53 2.09 0.24 5.22 1.51 0.46 -4.93 117.35 119.42 2f3i s TYR 97 Ca 0.64 -1.69 -0.30 0.00 -1.01 0.00 0.00 57.07 54.72 2f3i s TYR 97 Cb -0.18 -1.62 -0.09 0.00 -0.11 0.00 0.00 41.96 39.96 2f3i s TYR 97 CO 0.43 -0.78 1.08 0.50 -1.11 0.00 0.00 175.55 175.66 2f3i s ARG 98 N 1.49 4.66 0.44 -0.62 6.06 -1.26 -2.46 118.95 127.26 2f3i s ARG 98 Ca 0.00 1.73 0.03 0.00 -2.50 0.00 0.00 55.73 55.00 2f3i s ARG 98 Cb -0.18 -3.23 -0.02 0.00 0.06 0.00 0.00 34.95 31.58 2f3i s ARG 98 CO -0.11 0.21 0.12 0.96 -2.50 0.00 0.00 175.30 173.98 2f3i s ILE 99 N -0.88 0.62 -1.85 4.11 -4.36 -1.26 -5.01 121.20 112.57 2f3i s ILE 99 Ca 0.45 -2.00 0.22 0.00 -0.26 0.00 0.00 60.65 59.07 2f3i s ILE 99 Cb -0.30 -2.24 0.58 0.00 1.25 0.00 0.00 42.46 41.74 2f3i s ILE 99 CO 0.38 0.00 1.72 -1.84 0.24 0.00 0.00 174.94 175.44 2f3i n GLU 100 N -1.02 0.61 -2.99 0.37 0.28 -1.26 -4.84 120.64 111.78 2f3i n GLU 100 Ca -0.09 0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.78 2f3i n GLU 100 Cb 0.65 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.06 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 0.45 -0.05 3.00 -1.84 0.00 -1.26 -4.93 105.19 100.55 2f3i n GLY 101 Ca 0.15 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2f3i n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 102 N -3.02 -0.02 -0.03 1.61 2.15 -1.26 -4.07 116.67 112.03 2f3i s ASP 102 Ca 0.29 0.47 0.05 0.00 0.43 0.00 0.00 52.55 53.80 2f3i s ASP 102 Cb -0.13 0.40 0.08 0.00 -0.30 0.00 0.00 42.92 42.97 2f3i s ASP 102 CO 0.36 -0.18 0.93 -1.84 -0.17 0.00 0.00 175.17 174.27 2f3i n GLU 103 N 4.55 0.78 0.20 4.34 0.28 -1.26 -4.90 120.64 124.62 2f3i n GLU 103 Ca -0.20 -1.38 -0.08 0.00 -0.16 0.00 0.00 57.16 55.33 2f3i n GLU 103 Cb 0.52 -0.84 -0.04 0.00 1.43 0.00 0.00 31.44 32.51 2f3i n GLU 103 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2f3i h THR 104 N 3.29 0.00 0.00 3.84 1.35 -1.97 -3.49 112.91 115.93 2f3i h THR 104 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2f3i h THR 104 Cb 1.08 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2f3i h THR 104 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 2f3i n SER 105 N -4.27 0.00 0.00 5.36 7.64 -1.26 -4.92 113.62 116.17 2f3i n SER 105 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2f3i n SER 105 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 106 N 0.00 0.00 0.26 0.44 -2.24 -1.26 -4.94 114.28 106.54 2f3i n THR 106 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2f3i n THR 106 Cb 0.00 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 68.95 2f3i n THR 106 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2f3i h GLU 107 N 0.00 0.00 -4.27 -0.78 4.39 -2.00 -3.47 114.58 108.45 2f3i h GLU 107 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f3i h GLU 107 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f3i h GLU 107 CO 0.00 0.12 -0.46 0.00 -1.16 0.00 0.00 179.01 177.50 2f3i n ALA 108 N -2.24 -3.18 -1.56 3.43 0.00 -1.26 -4.92 120.51 110.79 2f3i n ALA 108 Ca -0.01 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 2f3i n ALA 108 Cb 0.26 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.50 2f3i n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3i n ALA 109 N 0.10 -0.41 1.65 0.00 0.00 -1.26 -4.89 120.51 115.70 2f3i n ALA 109 Ca 0.03 0.20 0.10 0.00 0.00 0.00 0.00 53.44 53.77 2f3i n ALA 109 Cb 0.11 -1.98 0.48 0.00 0.00 0.00 0.00 19.45 18.06 2f3i n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2f3i n THR 110 N -0.65 0.09 -4.95 0.00 -2.24 -1.26 -4.71 114.28 100.57 2f3i n THR 110 Ca 0.10 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 2f3i n THR 110 Cb 0.39 0.02 -0.17 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.91 2.28 0.61 -0.78 3.00 -1.26 -4.54 118.95 116.35 2f3i s ARG 111 Ca 0.30 -0.68 -0.16 0.00 0.00 0.00 0.00 55.73 55.19 2f3i s ARG 111 Cb 0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 34.95 33.24 2f3i s ARG 111 CO 0.24 0.17 1.10 -1.17 0.00 0.00 0.00 175.30 175.65 2f3i s LEU 112 N 0.30 3.51 0.22 2.53 2.96 0.16 -4.65 118.68 123.72 2f3i s LEU 112 Ca -0.12 2.00 0.07 0.00 -0.22 0.00 0.00 54.13 55.86 2f3i s LEU 112 Cb -0.15 -4.55 -0.05 0.00 0.50 0.00 0.00 46.19 41.93 2f3i s LEU 112 CO 0.05 -1.42 -0.11 -0.44 -1.32 0.00 0.00 176.35 173.11 2f3i s SER 113 N -2.41 2.53 0.11 3.68 0.01 -1.26 -1.63 113.70 114.73 2f3i s SER 113 Ca 0.68 -1.07 -0.10 0.00 1.31 0.00 0.00 55.95 56.77 2f3i s SER 113 Cb -0.20 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2f3i s SER 113 CO 0.36 -0.24 0.24 0.00 0.41 0.00 0.00 173.24 174.01 2f3i s ALA 114 N -3.03 -0.26 0.08 1.44 0.00 -0.01 -4.50 121.76 115.48 2f3i s ALA 114 Ca 0.24 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.67 2f3i s ALA 114 Cb 0.01 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2f3i s ALA 114 CO 0.08 -0.56 -0.21 0.71 0.00 0.00 0.00 175.76 175.78 2f3i s TYR 115 N -3.88 1.84 -0.04 0.00 1.51 -1.03 -1.07 117.35 114.68 2f3i s TYR 115 Ca 0.07 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2f3i s TYR 115 Cb 0.04 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2f3i s TYR 115 CO -0.09 0.16 0.15 0.08 -1.11 0.00 0.00 175.55 174.75 2f3i s VAL 116 N -0.99 0.03 -0.05 0.71 1.01 -0.28 -0.41 120.40 120.42 2f3i s VAL 116 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2f3i s VAL 116 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2f3i s VAL 116 CO 0.03 -0.12 -0.25 -0.44 0.00 0.00 0.00 175.10 174.32 2f3i s SER 117 N -0.38 2.99 -0.17 3.32 0.01 -0.52 -0.85 113.70 118.11 2f3i s SER 117 Ca -0.05 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 2f3i s SER 117 Cb -0.03 -0.71 0.08 0.00 0.21 0.00 0.00 66.02 65.57 2f3i s SER 117 CO 0.01 0.25 0.26 -0.72 0.41 0.00 0.00 173.24 173.45 2f3i s TYR 118 N -0.25 -0.40 -1.79 2.43 1.13 -0.36 -0.51 117.35 117.59 2f3i s TYR 118 Ca -0.01 0.65 0.00 0.00 -1.41 0.00 0.00 57.07 56.31 2f3i s TYR 118 Cb -0.13 -0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 2f3i s TYR 118 CO 0.03 -0.49 0.00 0.41 -2.51 0.00 0.00 175.55 172.98 2f3i n GLY 119 N 5.34 0.98 0.36 5.49 0.00 -1.26 -0.76 105.19 115.34 2f3i n GLY 119 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.54 0.39 3.98 -0.02 0.00 -1.26 -5.08 105.19 102.67 2f3i n GLY 120 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2f3i n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f3i s LEU 121 N 0.00 3.38 0.07 0.99 2.01 0.06 -5.07 118.68 120.11 2f3i s LEU 121 Ca 0.00 -0.15 -0.00 0.00 0.01 0.00 0.00 54.13 53.99 2f3i s LEU 121 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 46.19 43.38 2f3i s LEU 121 CO 0.00 -1.05 -0.03 -0.22 1.01 0.00 0.00 176.35 176.07 2f3i s LEU 122 N -4.65 2.41 0.15 1.79 2.96 -0.81 -1.22 118.68 119.31 2f3i s LEU 122 Ca 0.57 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 2f3i s LEU 122 Cb -0.10 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.78 2f3i s LEU 122 CO 0.37 -0.59 0.43 -0.04 -1.32 0.00 0.00 176.35 175.20 2f3i s MET 123 N -3.92 1.16 -0.03 1.98 -1.94 -0.03 -0.43 119.30 116.09 2f3i s MET 123 Ca 0.10 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 2f3i s MET 123 Cb 0.07 0.48 0.02 0.00 2.01 0.00 0.00 34.83 37.42 2f3i s MET 123 CO -0.08 -0.47 0.07 0.50 -0.01 0.00 0.00 175.02 175.04 2f3i s ARG 124 N -3.83 0.03 0.02 2.03 3.52 -0.05 -1.13 118.95 119.54 2f3i s ARG 124 Ca 0.05 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 2f3i s ARG 124 Cb 0.01 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2f3i s ARG 124 CO -0.09 -0.11 0.00 -1.17 -0.81 0.00 0.00 175.30 173.12 2f3i s LEU 125 N 0.73 2.13 0.08 -0.88 0.20 -0.23 -0.53 118.68 120.18 2f3i s LEU 125 Ca -0.06 -0.50 0.04 0.00 0.69 0.00 0.00 54.13 54.30 2f3i s LEU 125 Cb -0.08 0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.87 2f3i s LEU 125 CO -0.03 -0.35 -0.11 -1.10 -0.29 0.00 0.00 176.35 174.48 2f3i s GLN 126 N -1.72 0.80 0.10 1.98 -0.21 -0.30 -0.83 119.66 119.48 2f3i s GLN 126 Ca -0.13 -1.06 -0.26 0.00 0.02 0.00 0.00 55.36 53.93 2f3i s GLN 126 Cb -0.08 -0.56 0.08 0.00 1.00 0.00 0.00 33.01 33.45 2f3i s GLN 126 CO -0.02 0.10 1.03 0.20 -2.12 0.00 0.00 175.29 174.48 2f3i s GLY 127 N -2.17 -0.28 0.24 3.09 0.00 -0.64 -1.30 107.32 106.26 2f3i s GLY 127 Ca 0.02 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 2f3i s GLY 127 CO 0.01 0.05 1.18 1.34 0.00 0.00 0.00 173.10 175.68 2f3i n ASP 128 N -0.46 1.79 -0.30 1.64 -0.08 -1.26 -0.66 116.55 117.22 2f3i n ASP 128 Ca -0.07 1.16 -0.02 0.00 -1.51 0.00 0.00 54.79 54.35 2f3i n ASP 128 Cb 0.61 -1.32 0.03 0.00 2.34 0.00 0.00 41.12 42.79 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 3.01 0.12 -0.83 -1.67 0.00 -1.87 0.32 119.26 118.34 2f3i h ALA 129 Ca -0.43 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2f3i h ALA 129 Cb 1.32 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.95 2f3i h ALA 129 CO 0.67 -0.62 0.50 -0.97 0.00 0.00 0.00 179.25 178.83 2f3i h ASN 130 N -0.07 0.99 1.10 0.00 -1.24 -1.99 -1.26 115.58 113.11 2f3i h ASN 130 Ca 0.31 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2f3i h ASN 130 Cb 0.58 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.38 2f3i h ASN 130 CO -0.85 0.76 0.00 -1.13 -1.29 0.00 0.00 177.43 174.92 2f3i h ASN 131 N 1.13 0.00 0.58 1.15 -1.24 -1.29 -2.96 115.58 112.95 2f3i h ASN 131 Ca 0.30 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.26 2f3i h ASN 131 Cb -0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2f3i h ASN 131 CO -0.06 0.00 -0.20 0.25 -1.29 0.00 0.00 177.43 176.13 2f3i h LEU 132 N 0.00 0.00 -1.01 0.34 7.12 0.78 -3.46 115.31 119.08 2f3i h LEU 132 Ca 0.00 0.00 -0.48 0.00 0.13 0.00 0.00 57.88 57.53 2f3i h LEU 132 Cb 0.55 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 2f3i h LEU 132 CO 0.00 0.20 -0.76 1.57 -0.13 0.00 0.00 178.44 179.32 2f3i n HIS 133 N -3.60 -2.30 -2.69 1.25 -0.00 -1.12 -4.85 115.22 101.91 2f3i n HIS 133 Ca -0.01 0.91 -0.06 0.00 -0.00 0.00 0.00 57.72 58.56 2f3i n HIS 133 Cb 0.34 -3.99 0.07 0.00 -0.00 0.00 0.00 29.99 26.41 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2f3i n GLY 134 N -1.69 0.56 0.00 1.57 0.00 -1.26 -4.38 105.19 99.99 2f3i n GLY 134 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2f3i n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f3i n PHE 135 N -0.51 0.00 -4.12 1.61 3.72 -1.26 -4.67 117.46 112.22 2f3i n PHE 135 Ca -0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.10 2f3i n PHE 135 Cb 0.78 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.15 2f3i n PHE 135 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2f3i s GLU 136 N -2.00 0.70 0.00 -1.08 2.12 -1.26 -5.00 118.70 112.18 2f3i s GLU 136 Ca 0.06 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2f3i s GLU 136 Cb 0.03 -0.74 0.00 0.00 0.26 0.00 0.00 34.13 33.68 2f3i s GLU 136 CO 0.04 -0.08 0.71 1.55 -0.54 0.00 0.00 175.26 176.94 2f3i n VAL 137 N 4.00 0.89 -1.13 3.70 3.14 -1.26 -1.32 118.33 126.35 2f3i n VAL 137 Ca -0.26 0.23 0.02 0.00 -2.96 0.00 0.00 64.34 61.38 2f3i n VAL 137 Cb 0.51 -1.23 0.03 0.00 -1.06 0.00 0.00 33.84 32.08 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2f3i n ASP 138 N -1.21 0.88 -0.02 6.55 2.03 -1.26 -3.69 116.55 119.83 2f3i n ASP 138 Ca 0.00 -1.94 -0.01 0.00 0.52 0.00 0.00 54.79 53.36 2f3i n ASP 138 Cb 0.01 -0.15 -0.00 0.00 -0.72 0.00 0.00 41.12 40.26 2f3i n ASP 138 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2f3i h SER 139 N 0.00 0.00 -0.05 1.67 0.02 -1.57 -3.41 113.55 110.21 2f3i h SER 139 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2f3i h SER 139 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2f3i h SER 139 CO 0.00 0.24 0.00 -2.11 -1.14 0.00 0.00 176.83 173.82 2f3i n ARG 140 N -3.05 1.20 0.11 3.45 1.85 -1.25 -2.77 116.66 116.21 2f3i n ARG 140 Ca -0.02 -0.21 0.02 0.00 -1.00 0.00 0.00 57.85 56.65 2f3i n ARG 140 Cb 0.06 -1.29 0.38 0.00 -1.05 0.00 0.00 32.46 30.56 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2f3i h VAL 141 N 0.30 1.18 -2.78 8.89 -1.51 -1.83 -3.42 116.25 117.07 2f3i h VAL 141 Ca 0.00 -0.77 -0.53 0.00 -1.23 0.00 0.00 66.70 64.17 2f3i h VAL 141 Cb 0.33 1.18 0.03 0.00 -2.13 0.00 0.00 31.29 30.70 2f3i h VAL 141 CO 0.02 0.24 0.92 -0.31 -1.23 0.00 0.00 177.57 177.21 2f3i s TYR 142 N -4.75 2.76 -0.06 5.19 2.02 -1.11 -0.32 117.35 121.07 2f3i s TYR 142 Ca -0.06 0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 57.13 2f3i s TYR 142 Cb 0.15 -3.91 0.04 0.00 -0.40 0.00 0.00 41.96 37.84 2f3i s TYR 142 CO 0.73 -3.50 0.13 -1.17 -1.57 0.00 0.00 175.55 170.17 2f3i s LEU 143 N 1.92 0.84 0.01 -1.29 2.96 -0.61 -4.33 118.68 118.17 2f3i s LEU 143 Ca 0.71 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 2f3i s LEU 143 Cb -0.41 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 2f3i s LEU 143 CO 0.31 -0.14 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.97 2f3i s LEU 144 N 1.06 2.11 0.03 -0.68 0.20 -0.35 -0.62 118.68 120.43 2f3i s LEU 144 Ca -0.08 -0.22 0.04 0.00 0.69 0.00 0.00 54.13 54.55 2f3i s LEU 144 Cb -0.11 0.04 -0.02 0.00 -0.43 0.00 0.00 46.19 45.67 2f3i s LEU 144 CO -0.05 -0.13 -0.12 -0.32 -0.29 0.00 0.00 176.35 175.43 2f3i s MET 145 N -0.66 0.85 0.31 1.98 -2.45 -0.42 -1.38 119.30 117.54 2f3i s MET 145 Ca -0.07 -0.65 -0.12 0.00 -1.25 0.00 0.00 55.69 53.60 2f3i s MET 145 Cb -0.04 -0.82 0.01 0.00 1.25 0.00 0.00 34.83 35.23 2f3i s MET 145 CO -0.00 0.21 0.58 -1.59 1.05 0.00 0.00 175.02 175.26 2f3i s LYS 146 N -0.95 1.83 0.80 4.11 -2.85 -0.22 -1.03 119.74 121.44 2f3i s LYS 146 Ca 0.01 -1.41 -0.12 0.00 -1.00 0.00 0.00 55.97 53.45 2f3i s LYS 146 Cb -0.07 0.51 0.08 0.00 -2.06 0.00 0.00 37.83 36.30 2f3i s LYS 146 CO 0.01 -0.80 1.15 -1.59 0.10 0.00 0.00 175.35 174.22 2f3i s LYS 147 N -3.35 1.80 0.97 1.78 -2.85 -1.26 -0.36 119.74 116.47 2f3i s LYS 147 Ca 0.22 1.49 -0.12 0.00 -1.00 0.00 0.00 55.97 56.56 2f3i s LYS 147 Cb -0.02 -1.82 0.17 0.00 -2.06 0.00 0.00 37.83 34.10 2f3i s LYS 147 CO 0.12 -2.04 1.09 -0.48 0.10 0.00 0.00 175.35 174.14 2f3i s LEU 148 N -5.88 1.90 -0.03 2.77 0.05 -1.26 -4.34 118.68 111.88 2f3i s LEU 148 Ca 0.67 1.46 -0.02 0.00 0.05 0.00 0.00 54.13 56.29 2f3i s LEU 148 Cb -0.23 -3.73 0.02 0.00 -2.05 0.00 0.00 46.19 40.20 2f3i s LEU 148 CO 0.52 -3.04 0.07 0.00 -0.55 0.00 0.00 176.35 173.35 2f3i s ALA 149 N -2.85 -0.11 0.00 1.48 0.00 -1.26 -5.02 121.76 114.00 2f3i s ALA 149 Ca 0.65 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2f3i s ALA 149 Cb -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2f3i s ALA 149 CO 0.58 -0.09 0.00 1.19 0.00 0.00 0.00 175.76 177.45