#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i n ALA 2 N 0.00 -3.36 -0.79 3.04 0.00 -1.26 -5.04 120.51 113.11 2f3i n ALA 2 Ca 0.00 0.77 0.11 0.00 0.00 0.00 0.00 53.44 54.32 2f3i n ALA 2 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 2f3i n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f3i n GLY 3 N -4.09 -1.73 3.85 0.00 0.00 -1.26 -4.91 105.19 97.06 2f3i n GLY 3 Ca -0.07 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2f3i n GLY 3 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f3i s ILE 4 N -1.83 2.28 0.00 -0.61 -4.36 -1.26 -4.64 121.20 110.78 2f3i s ILE 4 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 2f3i s ILE 4 Cb 0.00 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.72 2f3i s ILE 4 CO 0.00 -0.12 0.00 -0.11 0.24 0.00 0.00 174.94 174.95 2f3i n LEU 5 N -3.43 1.54 -3.71 0.37 -0.00 0.30 -4.92 117.00 107.16 2f3i n LEU 5 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.98 2f3i n LEU 5 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.96 2f3i n LEU 5 CO 0.57 0.26 0.08 0.12 -0.00 0.00 0.00 177.39 178.42 2f3i s PHE 6 N -1.85 -0.12 -0.07 1.96 5.36 -1.09 -5.01 117.98 117.16 2f3i s PHE 6 Ca 0.00 -0.14 -0.07 0.00 -0.96 0.00 0.00 56.93 55.76 2f3i s PHE 6 Cb 0.00 0.15 0.02 0.00 -0.34 0.00 0.00 43.02 42.85 2f3i s PHE 6 CO 0.00 -0.61 0.21 -2.00 -1.46 0.00 0.00 175.22 171.36 2f3i s GLU 7 N -3.36 0.27 -0.08 10.12 2.12 -1.26 -2.20 118.70 124.32 2f3i s GLU 7 Ca 0.00 0.23 -0.18 0.00 0.36 0.00 0.00 54.97 55.38 2f3i s GLU 7 Cb 0.02 0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.57 2f3i s GLU 7 CO -0.09 -0.04 0.43 0.34 -0.54 0.00 0.00 175.26 175.37 2f3i s ASP 8 N -0.03 -0.38 -0.08 -1.70 2.15 -0.20 -5.01 116.67 111.43 2f3i s ASP 8 Ca -0.01 0.50 0.02 0.00 0.43 0.00 0.00 52.55 53.48 2f3i s ASP 8 Cb -0.02 0.57 -0.03 0.00 -0.30 0.00 0.00 42.92 43.15 2f3i s ASP 8 CO 0.00 -0.38 -0.11 -0.63 -0.17 0.00 0.00 175.17 173.89 2f3i s ILE 9 N -0.75 3.32 0.11 4.11 1.09 -1.26 -0.84 121.20 126.98 2f3i s ILE 9 Ca -0.08 -0.61 -0.07 0.00 -1.10 0.00 0.00 60.65 58.79 2f3i s ILE 9 Cb -0.03 -2.35 -0.01 0.00 -1.06 0.00 0.00 42.46 39.01 2f3i s ILE 9 CO 0.04 0.58 0.18 0.72 -0.10 0.00 0.00 174.94 176.35 2f3i s PHE 10 N -0.51 0.33 0.00 3.97 -0.71 -0.21 -0.38 117.98 120.47 2f3i s PHE 10 Ca 0.07 -0.75 -0.01 0.00 -1.04 0.00 0.00 56.93 55.20 2f3i s PHE 10 Cb -0.12 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.55 2f3i s PHE 10 CO 0.02 -0.57 0.02 0.34 -1.34 0.00 0.00 175.22 173.69 2f3i s ASP 11 N -2.91 0.08 -0.04 1.98 2.15 -0.31 -0.82 116.67 116.79 2f3i s ASP 11 Ca 0.10 -0.18 -0.30 0.00 0.43 0.00 0.00 52.55 52.60 2f3i s ASP 11 Cb 0.05 0.09 -0.05 0.00 -0.30 0.00 0.00 42.92 42.71 2f3i s ASP 11 CO -0.07 -0.16 1.47 -0.69 -0.17 0.00 0.00 175.17 175.55 2f3i s VAL 12 N -0.69 3.74 -0.15 1.11 1.01 -1.26 -1.57 120.40 122.60 2f3i s VAL 12 Ca -0.08 1.03 0.12 0.00 0.00 0.00 0.00 61.98 63.05 2f3i s VAL 12 Cb -0.05 -3.66 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 2f3i s VAL 12 CO -0.00 -0.05 0.25 0.29 0.00 0.00 0.00 175.10 175.59 2f3i n LYS 13 N 6.17 0.67 -3.82 2.72 4.76 0.77 -4.95 118.16 124.49 2f3i n LYS 13 Ca 0.15 0.13 -0.09 0.00 -2.87 0.00 0.00 58.31 55.63 2f3i n LYS 13 Cb 0.43 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 2f3i n LYS 13 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2f3i s ASP 14 N -5.93 -0.25 -0.00 4.39 2.15 -0.51 -5.00 116.67 111.51 2f3i s ASP 14 Ca -0.12 -0.59 0.03 0.00 0.43 0.00 0.00 52.55 52.30 2f3i s ASP 14 Cb 0.07 0.65 -0.01 0.00 -0.30 0.00 0.00 42.92 43.33 2f3i s ASP 14 CO 0.80 -1.19 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.88 2f3i s ILE 15 N -3.91 0.72 -0.36 4.11 1.09 -1.26 -1.39 121.20 120.20 2f3i s ILE 15 Ca 0.12 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.23 2f3i s ILE 15 Cb -0.03 -0.62 0.15 0.00 -1.06 0.00 0.00 42.46 40.90 2f3i s ILE 15 CO 0.03 0.16 0.29 -0.62 -0.10 0.00 0.00 174.94 174.70 2f3i s ASP 16 N -0.34 2.09 0.00 3.58 2.15 0.03 -4.96 116.67 119.22 2f3i s ASP 16 Ca 0.03 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.08 2f3i s ASP 16 Cb -0.04 0.05 0.03 0.00 -0.30 0.00 0.00 42.92 42.66 2f3i s ASP 16 CO -0.00 -0.28 0.30 -2.65 -0.17 0.00 0.00 175.17 172.36 2f3i n PRO 17 N 4.10 0.25 -1.11 4.34 -0.02 -1.26 -1.31 135.00 139.99 2f3i n PRO 17 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 2f3i n PRO 17 Cb 0.41 -1.03 -0.08 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.53 2.83 -1.50 -0.52 -0.58 -1.26 -3.67 120.64 115.41 2f3i n GLU 18 Ca 0.00 -1.62 -0.02 0.00 -0.42 0.00 0.00 57.16 55.10 2f3i n GLU 18 Cb 0.00 -2.43 0.02 0.00 -0.57 0.00 0.00 31.44 28.46 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 3.16 0.29 3.01 0.62 0.00 -1.26 -4.85 105.19 106.16 2f3i n GLY 19 Ca 0.60 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.44 0.99 -0.27 1.61 4.76 -1.24 -4.20 118.16 119.37 2f3i n LYS 20 Ca -0.11 -1.22 -0.01 0.00 -2.87 0.00 0.00 58.31 54.10 2f3i n LYS 20 Cb 0.60 -2.47 0.19 0.00 -1.84 0.00 0.00 35.03 31.50 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 7.88 1.10 -4.12 1.97 1.79 -1.95 -3.44 116.57 119.80 2f3i h LYS 21 Ca 0.30 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.55 2f3i h LYS 21 Cb 0.36 -0.24 -0.14 0.00 -1.58 0.00 0.00 32.23 30.63 2f3i h LYS 21 CO 1.59 0.75 -0.46 -0.06 -1.08 0.00 0.00 179.45 180.19 2f3i s PHE 22 N -5.87 0.61 0.25 -1.35 0.40 -1.26 -5.02 117.98 105.73 2f3i s PHE 22 Ca -0.12 -0.97 -0.05 0.00 -0.60 0.00 0.00 56.93 55.19 2f3i s PHE 22 Cb 0.18 -0.24 0.31 0.00 0.51 0.00 0.00 43.02 43.78 2f3i s PHE 22 CO 0.80 -0.64 1.89 0.22 0.70 0.00 0.00 175.22 178.18 2f3i h ASP 23 N 2.67 0.99 0.00 1.36 3.58 -1.95 -1.69 116.42 121.38 2f3i h ASP 23 Ca -0.33 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2f3i h ASP 23 Cb 1.22 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2f3i h ASP 23 CO 0.52 0.67 0.00 -2.11 -2.88 0.00 0.00 179.24 175.44 2f3i n ARG 24 N -4.51 0.52 -5.20 0.28 1.85 -1.26 -4.69 116.66 103.64 2f3i n ARG 24 Ca 0.13 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.66 2f3i n ARG 24 Cb 0.12 -1.11 -0.17 0.00 -1.05 0.00 0.00 32.46 30.24 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 -2.00 2.01 0.15 8.89 1.01 -0.64 -0.29 120.40 129.53 2f3i s VAL 25 Ca 0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2f3i s VAL 25 Cb 0.03 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2f3i s VAL 25 CO 0.04 0.55 0.31 -0.44 0.00 0.00 0.00 175.10 175.56 2f3i s SER 26 N 0.16 -0.01 0.41 3.32 0.01 -0.65 -4.08 113.70 112.86 2f3i s SER 26 Ca -0.13 -0.73 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 2f3i s SER 26 Cb -0.16 0.44 -0.07 0.00 0.21 0.00 0.00 66.02 66.44 2f3i s SER 26 CO 0.07 -0.88 0.79 -0.60 0.41 0.00 0.00 173.24 173.03 2f3i s ARG 27 N -3.92 3.82 0.05 12.44 3.52 -0.43 -1.55 118.95 132.88 2f3i s ARG 27 Ca 0.12 0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 56.22 2f3i s ARG 27 Cb 0.03 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 31.04 2f3i s ARG 27 CO -0.04 -0.04 0.07 -0.51 -0.81 0.00 0.00 175.30 173.97 2f3i s LEU 28 N -3.79 1.93 -0.05 -0.88 1.43 0.72 -0.79 118.68 117.26 2f3i s LEU 28 Ca 0.52 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2f3i s LEU 28 Cb -0.10 0.55 0.01 0.00 0.03 0.00 0.00 46.19 46.68 2f3i s LEU 28 CO 0.30 -0.56 -0.09 -2.28 0.23 0.00 0.00 176.35 173.95 2f3i s HIS 29 N -3.09 1.08 0.14 0.29 5.65 -0.49 -1.63 115.29 117.24 2f3i s HIS 29 Ca -0.01 -0.34 -0.05 0.00 0.25 0.00 0.00 55.06 54.91 2f3i s HIS 29 Cb 0.02 -0.82 -0.02 0.00 -1.18 0.00 0.00 32.58 30.57 2f3i s HIS 29 CO -0.07 -0.19 0.16 0.00 -0.65 0.00 0.00 174.74 173.99 2f3i s GLU 31 N -3.99 0.03 0.23 0.00 2.12 -0.61 -1.61 118.70 114.87 2f3i s GLU 31 Ca 0.19 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.26 2f3i s GLU 31 Cb 0.05 0.02 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 2f3i s GLU 31 CO -0.00 -0.00 1.26 -1.54 -0.54 0.00 0.00 175.26 174.43 2f3i s SER 32 N 0.01 6.97 0.13 -1.70 1.04 -1.01 -1.17 113.70 117.97 2f3i s SER 32 Ca -0.00 2.40 -0.04 0.00 0.48 0.00 0.00 55.95 58.79 2f3i s SER 32 Cb -0.00 -2.62 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 2f3i s SER 32 CO 0.00 -0.44 1.31 -0.08 0.98 0.00 0.00 173.24 175.01 2f3i h GLU 33 N 4.78 0.41 -0.33 4.02 4.81 -1.04 -3.37 114.58 123.85 2f3i h GLU 33 Ca -0.46 -0.43 -0.15 0.00 -0.13 0.00 0.00 59.36 58.20 2f3i h GLU 33 Cb 1.22 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2f3i h GLU 33 CO 0.73 1.09 -0.38 0.77 -0.73 0.00 0.00 179.01 180.49 2f3i h SER 34 N 0.23 0.83 0.00 1.04 0.02 -1.90 -3.46 113.55 110.31 2f3i h SER 34 Ca -0.08 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2f3i h SER 34 Cb 1.56 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2f3i h SER 34 CO 0.16 1.12 0.00 0.49 -1.14 0.00 0.00 176.83 177.46 2f3i n PHE 35 N -4.05 0.00 -1.64 3.45 3.72 -1.26 -5.07 117.46 112.61 2f3i n PHE 35 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f3i n PHE 35 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.00 0.00 -1.82 -1.08 2.85 -1.26 -4.95 118.16 111.89 2f3i n LYS 36 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2f3i n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 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 0.00 4.16 -0.38 -1.58 -1.94 -1.26 -4.63 119.30 113.67 2f3i s MET 37 Ca 0.00 2.44 -0.15 0.00 -1.71 0.00 0.00 55.69 56.27 2f3i s MET 37 Cb 0.00 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 33.01 2f3i s MET 37 CO 0.00 -0.84 0.35 0.34 -0.01 0.00 0.00 175.02 174.86 2f3i s ASP 38 N 3.24 6.15 -0.03 3.03 2.15 -0.22 -2.41 116.67 128.58 2f3i s ASP 38 Ca 0.79 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 53.29 2f3i s ASP 38 Cb -0.41 -2.19 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 2f3i s ASP 38 CO 0.35 -0.43 -0.22 -0.22 -0.17 0.00 0.00 175.17 174.49 2f3i s LEU 39 N 1.94 2.03 0.06 -1.34 2.96 -0.64 -1.47 118.68 122.22 2f3i s LEU 39 Ca 0.09 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2f3i s LEU 39 Cb -0.17 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 2f3i s LEU 39 CO 0.12 0.25 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.56 2f3i s ILE 40 N -0.38 1.69 0.05 6.68 -1.09 0.19 -0.71 121.20 127.63 2f3i s ILE 40 Ca 0.05 -1.30 -0.19 0.00 -2.23 0.00 0.00 60.65 56.97 2f3i s ILE 40 Cb -0.10 -1.48 0.04 0.00 -1.58 0.00 0.00 42.46 39.34 2f3i s ILE 40 CO 0.00 0.13 0.45 -1.48 -1.23 0.00 0.00 174.94 172.81 2f3i s LEU 41 N -1.39 0.25 -0.16 2.97 2.34 -0.65 -0.72 118.68 121.32 2f3i s LEU 41 Ca 0.07 0.05 0.01 0.00 0.06 0.00 0.00 54.13 54.32 2f3i s LEU 41 Cb -0.09 1.86 0.02 0.00 -0.56 0.00 0.00 46.19 47.42 2f3i s LEU 41 CO 0.02 -0.69 -0.18 -0.62 -1.06 0.00 0.00 176.35 173.83 2f3i s ASP 42 N -2.01 2.96 0.15 1.48 2.15 0.17 -0.20 116.67 121.38 2f3i s ASP 42 Ca -0.05 -0.59 -0.13 0.00 0.43 0.00 0.00 52.55 52.21 2f3i s ASP 42 Cb -0.01 -1.37 0.01 0.00 -0.30 0.00 0.00 42.92 41.26 2f3i s ASP 42 CO -0.02 -0.01 0.36 0.54 -0.17 0.00 0.00 175.17 175.87 2f3i s VAL 43 N 1.29 0.07 -0.89 1.11 0.11 -0.60 -1.82 120.40 119.68 2f3i s VAL 43 Ca 0.03 -1.01 -0.25 0.00 -2.93 0.00 0.00 61.98 57.83 2f3i s VAL 43 Cb -0.13 -1.55 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 2f3i s VAL 43 CO -0.11 -0.30 1.98 0.21 -3.33 0.00 0.00 175.10 173.55 2f3i s ASN 44 N -2.89 5.05 0.00 3.54 2.47 -1.26 -1.63 114.94 120.22 2f3i s ASN 44 Ca 0.10 -0.60 0.09 0.00 0.42 0.00 0.00 52.86 52.87 2f3i s ASN 44 Cb 0.02 -2.56 0.42 0.00 -1.45 0.00 0.00 41.25 37.68 2f3i s ASN 44 CO -0.05 -2.82 1.20 2.30 -3.72 0.00 0.00 177.10 174.00 2f3i n ILE 45 N 7.93 1.03 0.30 -5.21 -6.64 0.60 -2.04 119.36 115.33 2f3i n ILE 45 Ca 0.40 0.26 0.18 0.00 -1.77 0.00 0.00 62.75 61.82 2f3i n ILE 45 Cb 0.47 -1.11 0.89 0.00 -1.44 0.00 0.00 39.64 38.44 2f3i n ILE 45 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 2f3i h GLN 46 N 0.00 0.00 -0.86 6.28 1.08 -1.90 -0.02 115.11 119.70 2f3i h GLN 46 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 2f3i h GLN 46 Cb 0.11 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.46 2f3i h GLN 46 CO 0.00 0.00 0.50 0.97 -0.95 0.00 0.00 178.83 179.35 2f3i h ILE 47 N 0.00 0.93 -3.31 2.54 2.10 -1.77 -3.43 117.51 114.57 2f3i h ILE 47 Ca 0.00 -0.29 -0.56 0.00 1.08 0.00 0.00 64.86 65.09 2f3i h ILE 47 Cb 0.19 0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 35.89 2f3i h ILE 47 CO 0.00 0.15 0.02 -0.31 -1.08 0.00 0.00 178.15 176.93 2f3i s TYR 48 N -6.02 3.82 0.20 2.19 2.02 -0.02 -5.03 117.35 114.50 2f3i s TYR 48 Ca -0.12 1.35 -0.31 0.00 -0.37 0.00 0.00 57.07 57.62 2f3i s TYR 48 Cb 0.20 -2.57 -0.09 0.00 -0.40 0.00 0.00 41.96 39.09 2f3i s TYR 48 CO 0.79 0.54 1.44 -1.25 -1.57 0.00 0.00 175.55 175.50 2f3i s PRO 49 N -1.00 4.28 -1.00 -1.71 0.04 -1.26 -3.56 135.00 130.79 2f3i s PRO 49 Ca 0.31 2.24 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 2f3i s PRO 49 Cb -0.20 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2f3i s PRO 49 CO 0.20 -0.44 0.10 0.28 0.04 0.00 0.00 177.00 177.18 2f3i n VAL 50 N 3.09 -0.63 0.00 -0.36 0.31 -1.26 -1.27 118.33 118.21 2f3i n VAL 50 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2f3i n VAL 50 Cb 0.41 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2f3i n VAL 50 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2f3i n ASP 51 N -1.87 0.00 -0.03 4.52 2.03 -1.23 -4.60 116.55 115.37 2f3i n ASP 51 Ca -0.11 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.25 2f3i n ASP 51 Cb 0.59 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.42 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 0.47 0.00 -2.67 5.85 -1.86 -3.49 115.31 113.62 2f3i h LEU 52 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2f3i h LEU 52 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2f3i h LEU 52 CO 0.00 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 2f3i n GLY 53 N -1.48 -2.56 3.77 3.75 0.00 -0.40 -4.93 105.19 103.34 2f3i n GLY 53 Ca 0.05 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.94 -0.04 0.27 1.61 2.15 -1.26 -4.77 116.67 112.70 2f3i s ASP 54 Ca 0.00 -0.93 -0.31 0.00 0.43 0.00 0.00 52.55 51.74 2f3i s ASP 54 Cb 0.00 0.75 -0.12 0.00 -0.30 0.00 0.00 42.92 43.26 2f3i s ASP 54 CO 0.00 -1.45 1.59 0.29 -0.17 0.00 0.00 175.17 175.43 2f3i n LYS 55 N -0.49 2.61 -4.42 4.34 5.02 -1.26 -4.43 118.16 119.54 2f3i n LYS 55 Ca -0.05 0.93 -0.20 0.00 -2.02 0.00 0.00 58.31 56.97 2f3i n LYS 55 Cb 0.60 -2.71 -0.10 0.00 -0.02 0.00 0.00 35.03 32.80 2f3i n LYS 55 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2f3i s PHE 56 N 0.17 1.86 0.05 2.13 0.40 0.00 -4.47 117.98 118.12 2f3i s PHE 56 Ca 0.66 -0.94 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2f3i s PHE 56 Cb -0.52 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 2f3i s PHE 56 CO 0.46 -0.00 -0.12 0.50 0.70 0.00 0.00 175.22 176.76 2f3i s ARG 57 N -3.88 0.74 0.01 0.44 3.52 -0.04 -1.05 118.95 118.70 2f3i s ARG 57 Ca 0.35 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2f3i s ARG 57 Cb 0.08 -0.68 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 2f3i s ARG 57 CO 0.14 0.16 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.58 2f3i s LEU 58 N -1.35 2.10 0.07 -0.88 0.20 -0.02 -1.10 118.68 117.71 2f3i s LEU 58 Ca -0.03 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.58 2f3i s LEU 58 Cb -0.09 -0.10 -0.03 0.00 -0.43 0.00 0.00 46.19 45.54 2f3i s LEU 58 CO 0.01 -0.08 -0.08 0.68 -0.29 0.00 0.00 176.35 176.59 2f3i s VAL 59 N -0.61 0.67 0.09 1.68 -7.23 -0.30 -1.03 120.40 113.68 2f3i s VAL 59 Ca -0.04 -1.48 0.10 0.00 -1.81 0.00 0.00 61.98 58.74 2f3i s VAL 59 Cb -0.05 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2f3i s VAL 59 CO -0.00 -0.58 -0.25 0.27 -0.31 0.00 0.00 175.10 174.22 2f3i s ILE 60 N -2.35 2.09 -0.35 -0.62 -4.36 -0.93 -1.43 121.20 113.24 2f3i s ILE 60 Ca 0.01 -1.57 0.15 0.00 -0.26 0.00 0.00 60.65 58.97 2f3i s ILE 60 Cb -0.03 -1.84 0.41 0.00 1.25 0.00 0.00 42.46 42.25 2f3i s ILE 60 CO -0.01 0.16 0.87 0.00 0.24 0.00 0.00 174.94 176.20 2f3i n ALA 61 N 1.28 2.98 -1.58 2.27 0.00 -0.68 -0.54 120.51 124.24 2f3i n ALA 61 Ca -0.18 -3.33 -0.62 0.00 0.00 0.00 0.00 53.44 49.31 2f3i n ALA 61 Cb 0.53 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 0.05 1.46 -1.09 0.00 7.64 -1.26 -4.78 113.62 115.63 2f3i n SER 62 Ca 0.17 0.96 -0.00 0.00 1.01 0.00 0.00 58.87 61.01 2f3i n SER 62 Cb 0.74 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2f3i n SER 62 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2f3i n THR 63 N 5.09 0.00 -2.74 0.44 5.66 -1.26 -4.56 114.28 116.90 2f3i n THR 63 Ca 0.37 -0.05 -0.04 0.00 -3.05 0.00 0.00 64.05 61.28 2f3i n THR 63 Cb 0.02 0.05 0.06 0.00 -1.55 0.00 0.00 70.33 68.91 2f3i n THR 63 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2f3i n LEU 64 N 0.00 0.89 -4.67 1.09 7.94 -1.26 -4.99 117.00 115.99 2f3i n LEU 64 Ca -0.00 -3.34 -0.36 0.00 -1.11 0.00 0.00 56.01 51.19 2f3i n LEU 64 Cb 0.03 0.38 0.08 0.00 0.53 0.00 0.00 43.42 44.44 2f3i n LEU 64 CO 0.01 1.38 0.73 -1.22 -1.11 0.00 0.00 177.39 177.18 2f3i n TYR 65 N -0.50 1.33 -4.21 1.96 4.01 -1.26 -5.02 117.16 113.47 2f3i n TYR 65 Ca 0.04 0.42 -0.15 0.00 -0.16 0.00 0.00 57.90 58.04 2f3i n TYR 65 Cb 0.82 -2.18 -0.08 0.00 -0.31 0.00 0.00 39.34 37.59 2f3i n TYR 65 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2f3i s GLU 66 N -3.32 1.55 0.55 -0.72 -1.05 -1.26 -5.04 118.70 109.41 2f3i s GLU 66 Ca 0.78 -1.79 0.37 0.00 -0.15 0.00 0.00 54.97 54.18 2f3i s GLU 66 Cb -0.37 0.33 1.89 0.00 -0.44 0.00 0.00 34.13 35.54 2f3i s GLU 66 CO 0.45 -0.56 2.12 0.22 0.95 0.00 0.00 175.26 178.43 2f3i h ASP 67 N 2.33 0.00 -0.98 0.83 3.58 -2.01 -3.00 116.42 117.17 2f3i h ASP 67 Ca -0.30 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.80 2f3i h ASP 67 Cb 1.24 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.91 2f3i h ASP 67 CO 0.43 0.00 -1.13 0.61 -2.88 0.00 0.00 179.24 176.27 2f3i n GLY 68 N -0.84 1.62 3.70 -0.78 0.00 -1.26 -4.63 105.19 103.00 2f3i n GLY 68 Ca -0.02 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.80 2.35 -0.53 2.61 2.01 -1.14 -2.38 115.64 115.76 2f3i s THR 69 Ca 0.27 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2f3i s THR 69 Cb 0.45 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2f3i s THR 69 CO 0.02 -0.14 0.00 0.18 -0.69 0.00 0.00 174.62 173.99 2f3i n LEU 70 N -3.84 -0.49 -2.65 4.42 4.77 -1.26 -0.76 117.00 117.18 2f3i n LEU 70 Ca 0.12 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 2f3i n LEU 70 Cb 0.52 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 2f3i n LEU 70 CO 0.50 -0.14 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.68 2f3i n ASP 71 N -1.01 -2.49 0.00 -1.43 2.03 -1.00 -4.72 116.55 107.93 2f3i n ASP 71 Ca -0.06 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2f3i n ASP 71 Cb 0.44 -2.18 0.00 0.00 -0.72 0.00 0.00 41.12 38.66 2f3i n ASP 71 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2f3i n ASP 72 N -1.75 0.00 -2.28 1.67 2.03 -0.47 -5.00 116.55 110.76 2f3i n ASP 72 Ca -0.06 -1.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.11 2f3i n ASP 72 Cb 0.55 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.00 -0.02 0.93 0.27 0.00 0.06 -4.71 105.19 101.73 2f3i n GLY 73 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.15 -2.61 -1.30 1.61 2.13 -0.43 -4.77 120.64 112.12 2f3i n GLU 74 Ca -0.02 1.89 -0.38 0.00 0.66 0.00 0.00 57.16 59.31 2f3i n GLU 74 Cb 0.55 -2.09 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 2f3i n GLU 74 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2f3i n TYR 75 N -0.12 2.43 -3.20 4.31 4.01 -1.26 -4.74 117.16 118.59 2f3i n TYR 75 Ca 0.00 -2.44 -0.23 0.00 -0.16 0.00 0.00 57.90 55.07 2f3i n TYR 75 Cb 0.00 -2.11 -0.06 0.00 -0.31 0.00 0.00 39.34 36.86 2f3i n TYR 75 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2f3i n ASN 76 N 5.82 1.48 0.25 7.72 5.15 -1.26 -4.86 115.26 129.56 2f3i n ASN 76 Ca 0.54 -3.03 0.17 0.00 -0.60 0.00 0.00 54.58 51.66 2f3i n ASN 76 Cb 0.32 -0.63 0.69 0.00 -0.53 0.00 0.00 39.78 39.63 2f3i n ASN 76 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2f3i h PRO 77 N 3.64 0.00 0.00 1.20 0.13 -1.99 -3.01 132.00 131.98 2f3i h PRO 77 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2f3i h PRO 77 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2f3i h PRO 77 CO 0.58 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.60 2f3i n THR 78 N -2.89 0.99 0.12 1.56 -2.24 -1.26 -3.19 114.28 107.36 2f3i n THR 78 Ca 0.01 0.25 0.18 0.00 -2.27 0.00 0.00 64.05 62.22 2f3i n THR 78 Cb 0.27 -1.23 0.62 0.00 -2.10 0.00 0.00 70.33 67.89 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 0.00 0.00 -0.19 3.42 3.58 -1.92 -2.88 116.42 118.43 2f3i h ASP 79 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 79 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2f3i h ASP 79 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 2f3i n ASP 80 N -3.27 2.89 -3.15 2.28 2.03 -1.19 -3.00 116.55 113.14 2f3i n ASP 80 Ca 0.07 -2.47 0.00 0.00 0.52 0.00 0.00 54.79 52.91 2f3i n ASP 80 Cb 0.78 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.33 1.82 0.05 -0.67 1.85 -1.09 -4.70 116.66 113.59 2f3i n ARG 81 Ca 0.12 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.99 2f3i n ARG 81 Cb 0.55 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 32.06 2f3i n ARG 81 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2f3i n PRO 82 N 0.00 0.03 0.09 2.89 -0.02 -1.26 -1.60 135.00 135.13 2f3i n PRO 82 Ca 0.00 0.35 0.20 0.00 -2.02 0.00 0.00 63.50 62.04 2f3i n PRO 82 Cb 0.00 -1.86 0.73 0.00 -0.02 0.00 0.00 33.50 32.35 2f3i n PRO 82 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2f3i h SER 83 N 0.00 0.00 -0.54 2.55 0.02 -1.82 -3.33 113.55 110.44 2f3i h SER 83 Ca 0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2f3i h SER 83 Cb 0.55 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.00 2f3i h SER 83 CO 0.00 0.00 -0.16 -1.14 -1.14 0.00 0.00 176.83 174.39 2f3i n ARG 84 N -3.63 -0.07 -0.08 3.45 3.00 -0.62 -1.85 116.66 116.85 2f3i n ARG 84 Ca 0.08 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.76 2f3i n ARG 84 Cb 0.66 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.87 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f3i n ALA 85 N -3.78 1.16 0.61 5.13 0.00 -1.26 -4.77 120.51 117.60 2f3i n ALA 85 Ca 0.08 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 53.06 2f3i n ALA 85 Cb 0.25 -0.08 0.44 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.29 0.50 0.00 2.03 -0.77 -3.15 116.55 115.45 2f3i n ASP 86 Ca 0.00 0.55 -0.20 0.00 0.52 0.00 0.00 54.79 55.66 2f3i n ASP 86 Cb 0.53 -0.62 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.22 -2.76 -0.67 4.20 -1.77 -3.48 115.11 109.40 2f3i h GLN 87 Ca 0.00 0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.83 2f3i h GLN 87 Cb 0.42 0.28 -0.12 0.00 0.30 0.00 0.00 27.48 28.35 2f3i h GLN 87 CO 0.00 -0.81 0.31 -0.59 -0.67 0.00 0.00 178.83 177.07 2f3i s PHE 88 N -5.87 -0.43 0.00 2.96 -0.12 -1.19 -4.91 117.98 108.43 2f3i s PHE 88 Ca -0.19 0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 2f3i s PHE 88 Cb 0.02 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 2f3i s PHE 88 CO 0.59 -0.80 0.00 0.39 -0.05 0.00 0.00 175.22 175.34 2f3i n GLU 89 N -0.35 1.75 -3.96 1.99 -0.58 0.15 -4.72 120.64 114.91 2f3i n GLU 89 Ca -0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.52 2f3i n GLU 89 Cb 0.63 -0.91 -0.10 0.00 -0.57 0.00 0.00 31.44 30.50 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2f3i s TYR 90 N -1.70 0.25 -0.01 -0.32 5.04 -0.42 -5.00 117.35 115.20 2f3i s TYR 90 Ca 0.00 -0.59 -0.02 0.00 -2.44 0.00 0.00 57.07 54.02 2f3i s TYR 90 Cb 0.00 -0.18 -0.00 0.00 0.35 0.00 0.00 41.96 42.13 2f3i s TYR 90 CO 0.00 -0.35 0.05 0.08 -1.34 0.00 0.00 175.55 173.99 2f3i s VAL 91 N -2.67 0.05 0.02 3.14 1.01 -1.26 -1.24 120.40 119.44 2f3i s VAL 91 Ca -0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2f3i s VAL 91 Cb -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.18 2f3i s VAL 91 CO -0.05 -0.21 0.24 -0.04 0.00 0.00 0.00 175.10 175.04 2f3i s MET 92 N -0.64 0.67 0.01 2.72 -1.94 0.49 -4.92 119.30 115.68 2f3i s MET 92 Ca -0.07 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 2f3i s MET 92 Cb -0.04 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 2f3i s MET 92 CO 0.00 -0.19 -0.03 0.71 -0.01 0.00 0.00 175.02 175.50 2f3i s TYR 93 N -1.94 0.29 0.00 -0.03 2.02 -1.23 -1.67 117.35 114.78 2f3i s TYR 93 Ca -0.10 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2f3i s TYR 93 Cb -0.04 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.34 2f3i s TYR 93 CO -0.00 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 2f3i n GLY 94 N 2.36 2.56 3.00 0.71 0.00 -1.10 -0.72 105.19 112.00 2f3i n GLY 94 Ca -0.17 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 1.87 0.16 -0.16 1.61 2.20 -0.08 -4.81 119.74 120.53 2f3i s LYS 95 Ca 0.00 0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 2f3i s LYS 95 Cb 0.00 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 2f3i s LYS 95 CO 0.00 -0.12 0.10 0.54 -0.36 0.00 0.00 175.35 175.52 2f3i s VAL 96 N 0.83 5.19 -0.37 4.02 0.11 -1.13 -1.61 120.40 127.44 2f3i s VAL 96 Ca -0.06 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 2f3i s VAL 96 Cb -0.08 -3.31 0.15 0.00 -1.53 0.00 0.00 36.38 31.61 2f3i s VAL 96 CO -0.05 0.51 0.27 -0.72 -3.33 0.00 0.00 175.10 171.79 2f3i s TYR 97 N -0.16 0.50 0.18 1.54 1.13 -0.26 -4.57 117.35 115.70 2f3i s TYR 97 Ca 0.09 -1.52 -0.19 0.00 -1.41 0.00 0.00 57.07 54.04 2f3i s TYR 97 Cb -0.12 -0.77 0.04 0.00 -1.10 0.00 0.00 41.96 40.01 2f3i s TYR 97 CO 0.01 -0.87 0.54 0.50 -2.51 0.00 0.00 175.55 173.22 2f3i s ARG 98 N 1.01 1.33 1.13 -3.49 6.06 -1.26 -4.28 118.95 119.45 2f3i s ARG 98 Ca 0.20 -0.73 -0.18 0.00 -2.50 0.00 0.00 55.73 52.51 2f3i s ARG 98 Cb -0.17 0.54 0.26 0.00 0.06 0.00 0.00 34.95 35.64 2f3i s ARG 98 CO -0.03 -0.57 1.18 0.96 -2.50 0.00 0.00 175.30 174.35 2f3i s ILE 99 N -3.83 1.73 -2.00 4.11 -0.00 -1.26 -4.91 121.20 115.03 2f3i s ILE 99 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.75 2f3i s ILE 99 Cb -0.01 -2.66 0.10 0.00 -0.00 0.00 0.00 42.46 39.89 2f3i s ILE 99 CO -0.06 0.00 0.56 -1.84 -0.00 0.00 0.00 174.94 173.60 2f3i n GLU 100 N -4.44 0.22 0.00 0.37 0.28 -1.26 -4.54 120.64 111.28 2f3i n GLU 100 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2f3i n GLU 100 Cb 0.59 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.21 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 -0.42 2.58 3.68 -1.84 0.00 -1.26 -4.68 105.19 103.26 2f3i n GLY 101 Ca 0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 6.69 -0.03 1.61 2.15 -1.26 -4.81 116.67 121.02 2f3i s ASP 102 Ca 0.00 2.32 0.05 0.00 0.43 0.00 0.00 52.55 55.34 2f3i s ASP 102 Cb 0.00 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.13 2f3i s ASP 102 CO 0.00 -0.84 0.93 -1.84 -0.17 0.00 0.00 175.17 173.25 2f3i n GLU 103 N 5.82 0.68 -0.08 4.34 0.28 -1.26 -4.95 120.64 125.47 2f3i n GLU 103 Ca 0.15 -1.34 0.00 0.00 -0.16 0.00 0.00 57.16 55.81 2f3i n GLU 103 Cb 0.42 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.48 2f3i n GLU 103 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2f3i n THR 104 N -0.41 0.00 -1.96 3.84 -2.24 -1.26 -5.05 114.28 107.20 2f3i n THR 104 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2f3i n THR 104 Cb 0.59 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2f3i n THR 104 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2f3i n SER 105 N -0.59 0.00 0.20 3.42 7.64 -1.26 -4.92 113.62 118.11 2f3i n SER 105 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2f3i n SER 105 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.09 0.44 -2.24 -1.26 -4.97 114.28 106.34 2f3i n THR 106 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2f3i n THR 106 Cb 0.52 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.37 -5.58 -0.78 5.08 -2.01 -3.48 114.58 108.18 2f3i h GLU 107 Ca 0.00 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2f3i h GLU 107 Cb 0.00 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2f3i h GLU 107 CO 0.00 1.19 -0.41 0.00 -1.00 0.00 0.00 179.01 178.79 2f3i n ALA 108 N -2.55 -2.71 -1.59 3.43 0.00 -1.26 -4.83 120.51 111.00 2f3i n ALA 108 Ca -0.08 0.45 -0.47 0.00 0.00 0.00 0.00 53.44 53.33 2f3i n ALA 108 Cb 0.94 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.16 -0.52 0.98 0.00 0.00 -1.26 -4.89 120.51 113.66 2f3i n ALA 109 Ca 0.01 0.44 0.11 0.00 0.00 0.00 0.00 53.44 54.00 2f3i n ALA 109 Cb 0.52 -2.04 0.32 0.00 0.00 0.00 0.00 19.45 18.25 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 1.21 0.27 -4.85 0.00 -2.24 -1.26 -4.25 114.28 103.16 2f3i n THR 110 Ca 0.13 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 2f3i n THR 110 Cb 0.27 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.73 2.35 0.36 -0.78 3.00 -1.26 -4.09 118.95 116.80 2f3i s ARG 111 Ca 0.34 -0.80 -0.08 0.00 0.00 0.00 0.00 55.73 55.19 2f3i s ARG 111 Cb 0.19 -2.30 -0.06 0.00 0.00 0.00 0.00 34.95 32.78 2f3i s ARG 111 CO 0.28 0.59 0.68 -1.17 0.00 0.00 0.00 175.30 175.68 2f3i s LEU 112 N -0.95 3.92 0.07 2.53 2.96 0.22 -4.11 118.68 123.32 2f3i s LEU 112 Ca 0.13 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 2f3i s LEU 112 Cb -0.11 -3.81 -0.03 0.00 0.50 0.00 0.00 46.19 42.75 2f3i s LEU 112 CO 0.02 -0.32 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.15 2f3i s SER 113 N -3.20 1.69 -0.03 3.68 0.01 -1.26 -1.77 113.70 112.80 2f3i s SER 113 Ca 0.48 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2f3i s SER 113 Cb -0.10 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2f3i s SER 113 CO 0.31 -0.07 0.14 0.00 0.41 0.00 0.00 173.24 174.03 2f3i s ALA 114 N -1.25 -0.33 -0.10 1.44 0.00 0.10 -4.68 121.76 116.94 2f3i s ALA 114 Ca -0.02 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2f3i s ALA 114 Cb -0.10 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2f3i s ALA 114 CO 0.02 -0.12 -0.13 0.71 0.00 0.00 0.00 175.76 176.24 2f3i s TYR 115 N -0.48 1.73 -0.04 0.00 1.51 -1.26 -0.47 117.35 118.34 2f3i s TYR 115 Ca -0.06 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 2f3i s TYR 115 Cb -0.04 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2f3i s TYR 115 CO 0.01 -0.42 -0.04 0.08 -1.11 0.00 0.00 175.55 174.07 2f3i s VAL 116 N 1.02 0.46 -0.07 0.71 1.01 -0.51 -1.11 120.40 121.91 2f3i s VAL 116 Ca -0.07 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2f3i s VAL 116 Cb -0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2f3i s VAL 116 CO -0.01 0.20 -0.17 -0.44 0.00 0.00 0.00 175.10 174.68 2f3i s SER 117 N 0.89 3.72 0.09 3.32 0.01 -0.64 -0.95 113.70 120.14 2f3i s SER 117 Ca -0.11 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.83 2f3i s SER 117 Cb -0.14 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 2f3i s SER 117 CO -0.00 0.27 -0.06 -0.31 0.41 0.00 0.00 173.24 173.55 2f3i s TYR 118 N -0.28 0.82 -0.91 2.43 2.02 0.13 -0.90 117.35 120.67 2f3i s TYR 118 Ca 0.01 -0.89 -0.15 0.00 -0.37 0.00 0.00 57.07 55.67 2f3i s TYR 118 Cb -0.13 -0.49 -0.10 0.00 -0.40 0.00 0.00 41.96 40.84 2f3i s TYR 118 CO 0.03 -0.17 2.05 0.41 -1.57 0.00 0.00 175.55 176.30 2f3i n GLY 119 N 0.13 2.98 0.00 0.71 0.00 0.10 -1.57 105.19 107.54 2f3i n GLY 119 Ca -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 4.17 0.00 0.00 -0.02 0.00 -1.26 -4.64 105.19 103.44 2f3i n GLY 120 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2f3i n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f3i n LEU 121 N 0.00 0.00 -4.08 0.99 4.77 -0.61 -4.46 117.00 113.62 2f3i n LEU 121 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2f3i n LEU 121 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2f3i n LEU 121 CO 0.00 0.00 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.48 2f3i s LEU 122 N 0.00 2.44 0.06 2.23 0.20 -0.76 -0.69 118.68 122.16 2f3i s LEU 122 Ca 0.00 -0.89 -0.07 0.00 0.69 0.00 0.00 54.13 53.86 2f3i s LEU 122 Cb 0.00 0.14 -0.01 0.00 -0.43 0.00 0.00 46.19 45.90 2f3i s LEU 122 CO 0.00 -0.52 0.14 -0.04 -0.29 0.00 0.00 176.35 175.64 2f3i s MET 123 N -3.36 0.73 -0.01 1.98 -1.94 -0.12 -0.65 119.30 115.92 2f3i s MET 123 Ca 0.02 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 2f3i s MET 123 Cb 0.04 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.17 2f3i s MET 123 CO -0.07 -0.21 -0.04 1.03 -0.01 0.00 0.00 175.02 175.72 2f3i s ARG 124 N -3.35 0.45 -0.05 2.03 0.52 0.10 -1.42 118.95 117.23 2f3i s ARG 124 Ca 0.01 -0.14 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 2f3i s ARG 124 Cb 0.03 -0.45 0.02 0.00 0.52 0.00 0.00 34.95 35.07 2f3i s ARG 124 CO -0.08 0.06 0.29 -1.17 0.02 0.00 0.00 175.30 174.42 2f3i s LEU 125 N 0.12 0.91 0.05 2.53 2.96 0.37 -0.64 118.68 124.99 2f3i s LEU 125 Ca -0.01 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2f3i s LEU 125 Cb -0.05 1.13 -0.03 0.00 0.50 0.00 0.00 46.19 47.75 2f3i s LEU 125 CO -0.00 -0.32 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.55 2f3i s GLN 126 N -0.80 0.55 0.00 1.98 -0.21 -0.54 -0.72 119.66 119.92 2f3i s GLN 126 Ca -0.09 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.40 2f3i s GLN 126 Cb -0.04 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.84 2f3i s GLN 126 CO 0.03 -0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 2f3i n GLY 127 N 1.05 -1.39 3.65 3.09 0.00 -0.73 -1.05 105.19 109.81 2f3i n GLY 127 Ca -0.20 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2f3i n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3i n ASP 128 N 0.57 2.10 0.09 1.61 2.03 -1.26 -0.61 116.55 121.09 2f3i n ASP 128 Ca 0.00 1.19 -0.13 0.00 0.52 0.00 0.00 54.79 56.37 2f3i n ASP 128 Cb 0.00 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 38.94 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i h ALA 129 N 2.33 -0.59 -0.97 -1.67 0.00 -1.87 0.23 119.26 116.72 2f3i h ALA 129 Ca -0.43 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.55 2f3i h ALA 129 Cb 1.31 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.63 2f3i h ALA 129 CO 0.62 -0.90 0.60 -0.97 0.00 0.00 0.00 179.25 178.60 2f3i h ASN 130 N -0.56 0.88 0.18 0.00 -1.24 -1.95 -0.62 115.58 112.27 2f3i h ASN 130 Ca 0.04 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 2f3i h ASN 130 Cb 0.61 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 2f3i h ASN 130 CO -0.25 0.48 -0.24 -1.13 -1.29 0.00 0.00 177.43 175.00 2f3i h ASN 131 N 0.96 0.11 0.54 1.15 -1.24 -1.71 -2.27 115.58 113.12 2f3i h ASN 131 Ca 0.47 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.42 2f3i h ASN 131 Cb 0.45 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2f3i h ASN 131 CO -0.26 0.35 -0.19 0.25 -1.29 0.00 0.00 177.43 176.29 2f3i h LEU 132 N 0.10 0.00 -1.58 0.34 7.12 0.67 -3.47 115.31 118.49 2f3i h LEU 132 Ca 0.02 0.00 -0.61 0.00 0.13 0.00 0.00 57.88 57.41 2f3i h LEU 132 Cb 0.49 0.00 -0.29 0.00 -0.53 0.00 0.00 40.66 40.33 2f3i h LEU 132 CO 0.03 0.19 -0.93 1.41 -0.13 0.00 0.00 178.44 179.02 2f3i n HIS 133 N -3.62 -1.27 -3.18 1.25 8.25 -0.86 -4.89 115.22 110.90 2f3i n HIS 133 Ca -0.01 0.67 -0.21 0.00 -0.26 0.00 0.00 57.72 57.90 2f3i n HIS 133 Cb 0.33 -2.41 -0.05 0.00 1.12 0.00 0.00 29.99 28.98 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f3i n GLY 134 N -1.74 3.59 1.28 -1.41 0.00 -1.26 -4.40 105.19 101.25 2f3i n GLY 134 Ca -0.08 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.23 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 0.66 1.10 -3.93 1.61 3.72 -1.26 -4.89 117.46 114.47 2f3i n PHE 135 Ca 0.24 -0.58 -0.10 0.00 -0.05 0.00 0.00 57.45 56.96 2f3i n PHE 135 Cb 0.58 -0.14 -0.12 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.52 0.22 0.00 -1.08 2.56 -1.26 -4.98 118.70 112.64 2f3i s GLU 136 Ca 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.06 2f3i s GLU 136 Cb 0.27 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.48 2f3i s GLU 136 CO 0.24 -0.04 0.87 1.33 -0.56 0.00 0.00 175.26 177.10 2f3i n VAL 137 N 2.13 1.50 -1.23 3.70 0.24 -1.26 -1.60 118.33 121.80 2f3i n VAL 137 Ca -0.19 0.45 0.01 0.00 -2.04 0.00 0.00 64.34 62.57 2f3i n VAL 137 Cb 0.57 -1.45 0.02 0.00 -1.47 0.00 0.00 33.84 31.51 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2f3i n ASP 138 N -1.37 0.61 0.00 -1.34 2.03 -1.26 -2.84 116.55 112.39 2f3i n ASP 138 Ca 0.00 -1.80 0.00 0.00 0.52 0.00 0.00 54.79 53.51 2f3i n ASP 138 Cb 0.08 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.27 0.00 -0.22 1.67 7.64 -0.63 -4.44 113.62 117.37 2f3i n SER 139 Ca 0.02 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2f3i n SER 139 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2f3i n SER 139 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2f3i n ARG 140 N -0.41 1.00 0.18 1.43 1.85 -1.26 -2.62 116.66 116.83 2f3i n ARG 140 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 2f3i n ARG 140 Cb 0.00 -1.22 0.34 0.00 -1.05 0.00 0.00 32.46 30.53 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 0.00 1.26 -3.22 8.89 -1.51 -1.86 -3.38 116.25 116.43 2f3i h VAL 141 Ca 0.00 -1.38 -0.58 0.00 -1.23 0.00 0.00 66.70 63.52 2f3i h VAL 141 Cb 0.22 1.75 -0.09 0.00 -2.13 0.00 0.00 31.29 31.03 2f3i h VAL 141 CO 0.00 0.39 0.81 -0.31 -1.23 0.00 0.00 177.57 177.23 2f3i s TYR 142 N -4.10 2.69 -0.02 5.19 2.02 -1.08 -2.71 117.35 119.34 2f3i s TYR 142 Ca -0.02 0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.97 2f3i s TYR 142 Cb 0.14 -4.33 -0.00 0.00 -0.40 0.00 0.00 41.96 37.37 2f3i s TYR 142 CO 0.73 -1.48 -0.13 -1.17 -1.57 0.00 0.00 175.55 171.93 2f3i s LEU 143 N 4.53 1.90 0.03 -1.29 2.96 -0.67 -1.68 118.68 124.46 2f3i s LEU 143 Ca 0.38 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2f3i s LEU 143 Cb -0.09 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 2f3i s LEU 143 CO 0.23 0.12 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.59 2f3i s LEU 144 N -0.03 2.28 0.04 -0.68 1.02 -0.52 -0.38 118.68 120.42 2f3i s LEU 144 Ca -0.00 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.57 2f3i s LEU 144 Cb -0.08 0.09 -0.03 0.00 0.02 0.00 0.00 46.19 46.19 2f3i s LEU 144 CO 0.01 -0.33 -0.04 -0.04 0.02 0.00 0.00 176.35 175.96 2f3i s MET 145 N -1.82 0.50 0.23 1.70 -1.94 -0.37 -1.15 119.30 116.45 2f3i s MET 145 Ca -0.12 -0.90 -0.21 0.00 -1.71 0.00 0.00 55.69 52.74 2f3i s MET 145 Cb -0.07 0.04 0.06 0.00 2.01 0.00 0.00 34.83 36.86 2f3i s MET 145 CO -0.02 -0.05 0.92 -1.59 -0.01 0.00 0.00 175.02 174.28 2f3i s LYS 146 N -2.50 1.54 0.80 2.03 -2.85 -0.26 -0.68 119.74 117.83 2f3i s LYS 146 Ca -0.05 -0.94 -0.13 0.00 -1.00 0.00 0.00 55.97 53.86 2f3i s LYS 146 Cb -0.03 0.47 0.08 0.00 -2.06 0.00 0.00 37.83 36.29 2f3i s LYS 146 CO -0.04 -0.72 1.16 -1.59 0.10 0.00 0.00 175.35 174.27 2f3i s LYS 147 N -2.73 1.80 0.73 1.78 -2.85 -1.26 -0.86 119.74 116.35 2f3i s LYS 147 Ca 0.16 1.57 -0.15 0.00 -1.00 0.00 0.00 55.97 56.56 2f3i s LYS 147 Cb -0.03 -1.81 0.04 0.00 -2.06 0.00 0.00 37.83 33.97 2f3i s LYS 147 CO 0.06 -2.06 1.19 -0.48 0.10 0.00 0.00 175.35 174.16 2f3i s LEU 148 N -5.77 3.30 -0.16 2.77 0.05 -1.26 -4.44 118.68 113.17 2f3i s LEU 148 Ca 0.69 2.30 -0.03 0.00 0.05 0.00 0.00 54.13 57.14 2f3i s LEU 148 Cb -0.24 -4.58 0.05 0.00 -2.05 0.00 0.00 46.19 39.36 2f3i s LEU 148 CO 0.51 -2.22 0.04 0.00 -0.55 0.00 0.00 176.35 174.12 2f3i s ALA 149 N -2.07 0.81 -2.00 1.48 0.00 -1.26 -5.03 121.76 113.69 2f3i s ALA 149 Ca 0.73 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2f3i s ALA 149 Cb -0.28 -1.03 0.15 0.00 0.00 0.00 0.00 23.12 21.96 2f3i s ALA 149 CO 0.46 -0.98 0.64 1.19 0.00 0.00 0.00 175.76 177.06