#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 2.43 0.00 -5.12 0.00 -1.26 -4.92 121.76 112.90 2f3i s ALA 2 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2f3i s ALA 2 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2f3i s ALA 2 CO 0.00 -1.40 0.11 0.41 0.00 0.00 0.00 175.76 174.88 2f3i n GLY 3 N 0.62 0.08 3.37 0.00 0.00 -1.26 -2.21 105.19 105.79 2f3i n GLY 3 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 0.10 -0.61 -0.00 -1.26 -4.39 121.20 115.04 2f3i s ILE 4 Ca 0.00 -1.75 0.10 0.00 -0.00 0.00 0.00 60.65 59.00 2f3i s ILE 4 Cb 0.00 -2.38 -0.04 0.00 -0.00 0.00 0.00 42.46 40.04 2f3i s ILE 4 CO 0.00 0.00 -0.24 -0.22 -0.00 0.00 0.00 174.94 174.48 2f3i s LEU 5 N -3.10 2.41 -0.02 0.37 0.20 -1.26 -4.93 118.68 112.35 2f3i s LEU 5 Ca 0.32 -0.64 -0.05 0.00 0.69 0.00 0.00 54.13 54.45 2f3i s LEU 5 Cb 0.04 -1.34 0.01 0.00 -0.43 0.00 0.00 46.19 44.46 2f3i s LEU 5 CO 0.11 0.20 0.11 0.12 -0.29 0.00 0.00 176.35 176.60 2f3i s PHE 6 N -1.02 -0.04 -0.15 5.38 2.19 -1.26 -5.06 117.98 118.02 2f3i s PHE 6 Ca 0.15 0.10 -0.11 0.00 0.33 0.00 0.00 56.93 57.40 2f3i s PHE 6 Cb -0.10 -0.01 0.05 0.00 -1.31 0.00 0.00 43.02 41.65 2f3i s PHE 6 CO 0.06 -0.14 0.38 -2.00 1.83 0.00 0.00 175.22 175.35 2f3i s GLU 7 N -0.51 0.40 -0.01 10.12 2.12 -1.26 -3.08 118.70 126.48 2f3i s GLU 7 Ca -0.06 0.64 -0.22 0.00 0.36 0.00 0.00 54.97 55.69 2f3i s GLU 7 Cb -0.04 0.08 0.05 0.00 0.26 0.00 0.00 34.13 34.48 2f3i s GLU 7 CO 0.00 -0.11 0.49 0.34 -0.54 0.00 0.00 175.26 175.45 2f3i s ASP 8 N 0.81 -0.41 0.52 -1.70 2.15 -0.56 -5.01 116.67 112.47 2f3i s ASP 8 Ca -0.05 0.30 -0.13 0.00 0.43 0.00 0.00 52.55 53.11 2f3i s ASP 8 Cb -0.06 0.44 -0.06 0.00 -0.30 0.00 0.00 42.92 42.94 2f3i s ASP 8 CO -0.06 -0.59 0.94 -0.63 -0.17 0.00 0.00 175.17 174.66 2f3i s ILE 9 N -1.67 4.67 0.03 4.11 1.09 -1.26 -0.93 121.20 127.23 2f3i s ILE 9 Ca -0.10 0.90 0.00 0.00 -1.10 0.00 0.00 60.65 60.35 2f3i s ILE 9 Cb -0.02 -3.78 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 2f3i s ILE 9 CO 0.04 -0.81 -0.03 0.72 -0.10 0.00 0.00 174.94 174.76 2f3i s PHE 10 N -2.75 0.33 -0.14 3.97 -0.12 0.57 -0.52 117.98 119.31 2f3i s PHE 10 Ca 0.55 -0.61 0.01 0.00 -0.05 0.00 0.00 56.93 56.83 2f3i s PHE 10 Cb -0.10 -0.24 -0.00 0.00 -0.63 0.00 0.00 43.02 42.05 2f3i s PHE 10 CO 0.39 -0.21 -0.17 0.34 -0.05 0.00 0.00 175.22 175.52 2f3i s ASP 11 N -1.69 3.53 0.06 1.98 2.15 -0.23 -1.59 116.67 120.88 2f3i s ASP 11 Ca -0.12 -0.49 -0.31 0.00 0.43 0.00 0.00 52.55 52.06 2f3i s ASP 11 Cb -0.07 -1.53 -0.07 0.00 -0.30 0.00 0.00 42.92 40.95 2f3i s ASP 11 CO -0.02 0.10 1.36 0.54 -0.17 0.00 0.00 175.17 176.98 2f3i s VAL 12 N 0.71 3.59 -0.17 1.11 0.11 -1.26 -1.28 120.40 123.22 2f3i s VAL 12 Ca -0.08 1.09 0.06 0.00 -2.93 0.00 0.00 61.98 60.12 2f3i s VAL 12 Cb -0.16 -3.70 -0.22 0.00 -1.53 0.00 0.00 36.38 30.77 2f3i s VAL 12 CO 0.01 0.05 0.15 0.29 -3.33 0.00 0.00 175.10 172.28 2f3i n LYS 13 N 4.47 0.68 -3.80 1.54 4.76 0.10 -4.95 118.16 120.97 2f3i n LYS 13 Ca 0.12 0.17 -0.08 0.00 -2.87 0.00 0.00 58.31 55.64 2f3i n LYS 13 Cb 0.44 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 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 -6.32 -0.28 0.01 4.39 2.15 -0.64 -4.98 116.67 111.00 2f3i s ASP 14 Ca -0.20 -0.55 0.01 0.00 0.43 0.00 0.00 52.55 52.23 2f3i s ASP 14 Cb 0.07 0.66 -0.01 0.00 -0.30 0.00 0.00 42.92 43.35 2f3i s ASP 14 CO 0.74 -1.22 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.87 2f3i s ILE 15 N -3.90 0.17 -0.35 4.11 1.09 -1.26 -1.21 121.20 119.85 2f3i s ILE 15 Ca 0.11 -0.46 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 2f3i s ILE 15 Cb -0.04 -0.22 0.14 0.00 -1.06 0.00 0.00 42.46 41.29 2f3i s ILE 15 CO 0.03 -0.19 0.30 -0.62 -0.10 0.00 0.00 174.94 174.36 2f3i s ASP 16 N -0.68 1.87 0.81 3.58 2.15 0.63 -4.97 116.67 120.06 2f3i s ASP 16 Ca -0.06 -1.58 -0.14 0.00 0.43 0.00 0.00 52.55 51.20 2f3i s ASP 16 Cb -0.05 0.25 0.03 0.00 -0.30 0.00 0.00 42.92 42.85 2f3i s ASP 16 CO -0.00 -0.31 0.80 -2.65 -0.17 0.00 0.00 175.17 172.84 2f3i n PRO 17 N 4.44 0.12 -0.70 4.34 -0.02 -1.26 -0.76 135.00 141.16 2f3i n PRO 17 Ca 0.08 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 2f3i n PRO 17 Cb 0.43 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.05 1.40 -3.20 -0.52 -0.58 -1.07 -4.73 120.64 109.88 2f3i n GLU 18 Ca 0.11 -0.51 -0.23 0.00 -0.42 0.00 0.00 57.16 56.10 2f3i n GLU 18 Cb 0.51 -1.57 0.02 0.00 -0.57 0.00 0.00 31.44 29.83 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 2.13 -0.51 1.62 0.62 0.00 -1.26 -0.91 105.19 106.88 2f3i n GLY 19 Ca 0.22 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.01 -1.19 0.08 1.61 4.76 -1.26 -4.80 118.16 113.35 2f3i n LYS 20 Ca -0.07 0.45 -0.13 0.00 -2.87 0.00 0.00 58.31 55.70 2f3i n LYS 20 Cb 0.59 -4.57 -0.07 0.00 -1.84 0.00 0.00 35.03 29.14 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 0.00 0.32 -2.59 1.97 1.79 -1.43 -3.40 116.57 113.22 2f3i h LYS 21 Ca -0.16 -0.40 -0.59 0.00 -2.18 0.00 0.00 60.65 57.33 2f3i h LYS 21 Cb 0.51 0.13 -0.39 0.00 -1.58 0.00 0.00 32.23 30.89 2f3i h LYS 21 CO 0.23 1.11 -0.86 -0.06 -1.08 0.00 0.00 179.45 178.79 2f3i s PHE 22 N -3.07 1.04 0.36 -1.35 0.08 -1.23 -5.03 117.98 108.77 2f3i s PHE 22 Ca -0.05 -1.94 0.08 0.00 0.12 0.00 0.00 56.93 55.14 2f3i s PHE 22 Cb 0.09 -1.08 0.79 0.00 -0.57 0.00 0.00 43.02 42.24 2f3i s PHE 22 CO 0.86 -0.82 1.89 0.22 -0.10 0.00 0.00 175.22 177.28 2f3i h ASP 23 N 6.59 0.66 -0.34 1.36 3.58 -1.89 -1.39 116.42 124.99 2f3i h ASP 23 Ca 0.11 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2f3i h ASP 23 Cb 0.94 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2f3i h ASP 23 CO 0.33 0.36 0.00 -2.11 -2.88 0.00 0.00 179.24 174.94 2f3i n ARG 24 N -4.53 2.38 -4.73 0.28 1.85 -1.26 -4.87 116.66 105.77 2f3i n ARG 24 Ca 0.15 -1.47 -0.24 0.00 -1.00 0.00 0.00 57.85 55.30 2f3i n ARG 24 Cb 0.40 -1.57 -0.15 0.00 -1.05 0.00 0.00 32.46 30.10 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 -1.68 1.31 0.00 8.89 1.01 -0.52 -0.52 120.40 128.89 2f3i s VAL 25 Ca 0.26 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2f3i s VAL 25 Cb 0.17 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2f3i s VAL 25 CO 0.13 0.32 0.38 -0.44 0.00 0.00 0.00 175.10 175.49 2f3i s SER 26 N -0.52 -0.27 0.34 3.32 0.01 -0.56 -2.61 113.70 113.41 2f3i s SER 26 Ca 0.06 0.12 -0.24 0.00 1.31 0.00 0.00 55.95 57.20 2f3i s SER 26 Cb -0.07 0.37 -0.10 0.00 0.21 0.00 0.00 66.02 66.44 2f3i s SER 26 CO -0.00 -0.54 0.92 -0.60 0.41 0.00 0.00 173.24 173.43 2f3i s ARG 27 N -1.72 4.46 0.11 12.44 3.52 0.07 -1.68 118.95 136.14 2f3i s ARG 27 Ca -0.10 1.22 0.03 0.00 -0.13 0.00 0.00 55.73 56.75 2f3i s ARG 27 Cb -0.03 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 2f3i s ARG 27 CO 0.03 0.22 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.14 2f3i s LEU 28 N -2.33 2.48 -0.07 -0.88 1.02 0.76 -0.27 118.68 119.39 2f3i s LEU 28 Ca 0.52 -0.94 0.03 0.00 0.02 0.00 0.00 54.13 53.76 2f3i s LEU 28 Cb -0.16 -0.20 0.01 0.00 0.02 0.00 0.00 46.19 45.86 2f3i s LEU 28 CO 0.21 -0.37 -0.16 -2.28 0.02 0.00 0.00 176.35 173.76 2f3i s HIS 29 N -3.17 1.81 0.25 0.29 5.65 -0.35 -1.12 115.29 118.66 2f3i s HIS 29 Ca 0.11 -0.68 -0.00 0.00 0.25 0.00 0.00 55.06 54.73 2f3i s HIS 29 Cb 0.02 -1.27 -0.03 0.00 -1.18 0.00 0.00 32.58 30.12 2f3i s HIS 29 CO -0.02 -0.31 0.24 0.00 -0.65 0.00 0.00 174.74 174.00 2f3i s GLU 31 N -3.85 -0.01 0.18 0.00 2.12 -0.40 -1.25 118.70 115.49 2f3i s GLU 31 Ca 0.37 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.60 2f3i s GLU 31 Cb 0.04 -0.21 -0.08 0.00 0.26 0.00 0.00 34.13 34.15 2f3i s GLU 31 CO 0.17 -0.15 1.24 -1.12 -0.54 0.00 0.00 175.26 174.85 2f3i s SER 32 N 0.97 7.02 0.21 -1.70 0.01 -0.36 -1.07 113.70 118.78 2f3i s SER 32 Ca -0.08 2.28 -0.01 0.00 1.31 0.00 0.00 55.95 59.45 2f3i s SER 32 Cb -0.11 -2.61 0.17 0.00 0.21 0.00 0.00 66.02 63.68 2f3i s SER 32 CO -0.03 -0.43 1.53 -0.08 0.41 0.00 0.00 173.24 174.64 2f3i h GLU 33 N 5.35 0.47 0.00 12.44 4.81 -1.15 -3.39 114.58 133.11 2f3i h GLU 33 Ca -0.44 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 2f3i h GLU 33 Cb 1.21 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2f3i h GLU 33 CO 0.76 0.89 -0.56 0.43 -0.73 0.00 0.00 179.01 179.80 2f3i n SER 34 N -3.95 2.79 -2.41 1.04 7.64 -1.26 -4.85 113.62 112.62 2f3i n SER 34 Ca -0.03 -0.13 -0.25 0.00 1.01 0.00 0.00 58.87 59.47 2f3i n SER 34 Cb 0.59 0.81 0.01 0.00 -1.01 0.00 0.00 64.21 64.61 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 -1.09 3.18 -3.60 1.43 3.01 -1.26 -5.01 117.46 114.12 2f3i n PHE 35 Ca 0.00 -2.94 -0.20 0.00 1.01 0.00 0.00 57.45 55.32 2f3i n PHE 35 Cb 0.00 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 39.34 2f3i n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2f3i n LYS 36 N -0.50 -0.69 -3.71 -1.08 5.02 -1.26 -4.73 118.16 111.20 2f3i n LYS 36 Ca 0.38 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.48 2f3i n LYS 36 Cb 0.72 -0.95 -0.18 0.00 -0.02 0.00 0.00 35.03 34.61 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2f3i s MET 37 N -5.10 0.32 0.04 1.97 -1.94 -1.26 -2.89 119.30 110.43 2f3i s MET 37 Ca 0.15 0.11 -0.27 0.00 -1.71 0.00 0.00 55.69 53.97 2f3i s MET 37 Cb -0.08 -1.06 -0.05 0.00 2.01 0.00 0.00 34.83 35.65 2f3i s MET 37 CO 0.49 -0.40 0.84 0.34 -0.01 0.00 0.00 175.02 176.29 2f3i s ASP 38 N 2.05 7.28 0.04 3.03 2.15 -0.05 -1.22 116.67 129.95 2f3i s ASP 38 Ca 0.04 1.54 0.03 0.00 0.43 0.00 0.00 52.55 54.59 2f3i s ASP 38 Cb -0.13 -2.51 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 2f3i s ASP 38 CO -0.05 -0.07 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.03 2f3i s LEU 39 N 0.24 2.21 0.01 -1.34 1.43 -0.38 -1.66 118.68 119.20 2f3i s LEU 39 Ca 0.43 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2f3i s LEU 39 Cb -0.21 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 2f3i s LEU 39 CO 0.25 -0.12 -0.13 -0.63 0.23 0.00 0.00 176.35 175.94 2f3i s ILE 40 N -1.13 1.04 0.02 -0.59 -1.09 0.43 -1.15 121.20 118.74 2f3i s ILE 40 Ca -0.06 -0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 57.56 2f3i s ILE 40 Cb -0.09 -0.90 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 2f3i s ILE 40 CO 0.01 0.19 0.21 -0.22 -1.23 0.00 0.00 174.94 173.89 2f3i s LEU 41 N -0.59 1.29 -0.21 2.97 2.96 -0.28 -1.07 118.68 123.76 2f3i s LEU 41 Ca 0.04 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2f3i s LEU 41 Cb -0.06 0.97 0.10 0.00 0.50 0.00 0.00 46.19 47.70 2f3i s LEU 41 CO 0.00 -0.49 0.25 -0.62 -1.32 0.00 0.00 176.35 174.17 2f3i s ASP 42 N -1.77 1.17 0.24 3.68 2.15 0.52 -0.17 116.67 122.48 2f3i s ASP 42 Ca -0.09 -0.16 -0.11 0.00 0.43 0.00 0.00 52.55 52.62 2f3i s ASP 42 Cb -0.03 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 43.11 2f3i s ASP 42 CO -0.01 -0.32 0.42 0.68 -0.17 0.00 0.00 175.17 175.77 2f3i s VAL 43 N 2.37 0.00 0.17 1.11 -7.23 -0.67 -1.53 120.40 114.62 2f3i s VAL 43 Ca 0.08 -1.49 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 2f3i s VAL 43 Cb -0.16 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 2f3i s VAL 43 CO -0.14 -0.01 1.55 0.21 -0.31 0.00 0.00 175.10 176.40 2f3i s ASN 44 N -3.04 6.60 0.00 4.85 2.47 -1.26 -1.49 114.94 123.07 2f3i s ASN 44 Ca 0.25 2.62 0.17 0.00 0.42 0.00 0.00 52.86 56.31 2f3i s ASN 44 Cb 0.01 -2.60 0.17 0.00 -1.45 0.00 0.00 41.25 37.38 2f3i s ASN 44 CO 0.09 -0.81 1.08 2.30 -3.72 0.00 0.00 177.10 176.04 2f3i n ILE 45 N 3.80 0.09 0.34 -5.21 -6.64 0.32 -4.48 119.36 107.59 2f3i n ILE 45 Ca 0.13 -0.55 0.14 0.00 -1.77 0.00 0.00 62.75 60.70 2f3i n ILE 45 Cb 0.39 1.28 0.59 0.00 -1.44 0.00 0.00 39.64 40.46 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 3.35 0.00 -0.36 6.28 3.07 -1.93 -0.16 115.11 125.36 2f3i h GLN 46 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 2f3i h GLN 46 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.27 2f3i h GLN 46 CO 0.00 0.00 0.10 0.82 0.09 0.00 0.00 178.83 179.84 2f3i h ILE 47 N 0.00 1.16 -3.16 1.86 2.04 -1.94 -3.45 117.51 114.02 2f3i h ILE 47 Ca 0.00 -0.54 -0.49 0.00 1.00 0.00 0.00 64.86 64.83 2f3i h ILE 47 Cb 0.35 0.78 0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2f3i h ILE 47 CO 0.00 0.20 -0.07 -0.31 0.00 0.00 0.00 178.15 177.97 2f3i s TYR 48 N -5.17 3.52 1.26 1.37 2.02 -0.07 -5.10 117.35 115.18 2f3i s TYR 48 Ca -0.08 0.57 -0.21 0.00 -0.37 0.00 0.00 57.07 56.99 2f3i s TYR 48 Cb 0.16 -2.08 0.31 0.00 -0.40 0.00 0.00 41.96 39.95 2f3i s TYR 48 CO 0.75 -0.02 1.09 -1.25 -1.57 0.00 0.00 175.55 174.55 2f3i s PRO 49 N -4.35 -1.72 0.44 -1.71 0.04 -1.26 -4.82 135.00 121.62 2f3i s PRO 49 Ca 0.43 -0.14 0.29 0.00 0.04 0.00 0.00 61.00 61.63 2f3i s PRO 49 Cb -0.10 -1.54 1.58 0.00 0.04 0.00 0.00 34.50 34.47 2f3i s PRO 49 CO 0.38 -4.02 1.89 -0.39 0.04 0.00 0.00 177.00 174.90 2f3i h VAL 50 N -2.80 0.00 0.00 -0.36 -1.51 -1.95 0.33 116.25 109.95 2f3i h VAL 50 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2f3i h VAL 50 Cb 1.29 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2f3i h VAL 50 CO 0.29 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 175.96 2f3i n ASP 51 N -2.52 0.00 0.00 4.19 2.03 -1.26 -4.88 116.55 114.11 2f3i n ASP 51 Ca -0.02 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2f3i n ASP 51 Cb 0.06 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2f3i n ASP 51 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2f3i n LEU 52 N -1.37 0.38 -3.61 -2.67 7.94 0.11 -4.93 117.00 112.85 2f3i n LEU 52 Ca 0.04 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.88 2f3i n LEU 52 Cb 0.11 -1.09 -0.02 0.00 0.53 0.00 0.00 43.42 42.95 2f3i n LEU 52 CO 0.09 -0.33 0.71 -0.83 -1.11 0.00 0.00 177.39 175.92 2f3i s GLY 53 N -2.00 -0.37 0.24 -3.96 0.00 -1.26 -4.96 107.32 95.01 2f3i s GLY 53 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 44.72 45.13 2f3i s GLY 53 CO 0.00 0.19 0.75 -0.35 0.00 0.00 0.00 173.10 173.69 2f3i s ASP 54 N -2.69 -0.28 0.31 1.64 2.15 -1.26 -4.57 116.67 111.97 2f3i s ASP 54 Ca 0.08 -0.49 -0.29 0.00 0.43 0.00 0.00 52.55 52.28 2f3i s ASP 54 Cb -0.01 0.66 -0.10 0.00 -0.30 0.00 0.00 42.92 43.17 2f3i s ASP 54 CO -0.04 -1.21 1.40 -0.54 -0.17 0.00 0.00 175.17 174.61 2f3i s LYS 55 N -3.77 4.26 0.29 4.34 1.02 -1.26 -4.35 119.74 120.27 2f3i s LYS 55 Ca 0.10 2.34 0.04 0.00 0.02 0.00 0.00 55.97 58.46 2f3i s LYS 55 Cb -0.04 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 2f3i s LYS 55 CO 0.04 -0.36 0.26 0.12 -0.92 0.00 0.00 175.35 174.48 2f3i s PHE 56 N -0.74 1.50 0.01 3.18 5.36 -0.62 -4.39 117.98 122.28 2f3i s PHE 56 Ca 0.54 -1.53 0.02 0.00 -0.96 0.00 0.00 56.93 54.99 2f3i s PHE 56 Cb -0.42 -0.60 -0.01 0.00 -0.34 0.00 0.00 43.02 41.65 2f3i s PHE 56 CO 0.52 -0.83 -0.06 0.50 -1.46 0.00 0.00 175.22 173.89 2f3i s ARG 57 N -3.63 0.49 -0.01 10.12 3.52 0.45 -0.32 118.95 129.57 2f3i s ARG 57 Ca 0.39 -0.35 0.08 0.00 -0.13 0.00 0.00 55.73 55.72 2f3i s ARG 57 Cb 0.03 -0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 2f3i s ARG 57 CO 0.22 0.11 -0.25 -1.17 -0.81 0.00 0.00 175.30 173.40 2f3i s LEU 58 N -0.50 2.06 0.17 -0.88 0.20 -0.11 -1.60 118.68 118.01 2f3i s LEU 58 Ca -0.01 -0.46 -0.04 0.00 0.69 0.00 0.00 54.13 54.31 2f3i s LEU 58 Cb -0.04 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.43 2f3i s LEU 58 CO -0.00 0.30 0.17 -0.69 -0.29 0.00 0.00 176.35 175.84 2f3i s VAL 59 N -0.60 0.06 -0.07 1.68 1.01 0.22 -1.49 120.40 121.21 2f3i s VAL 59 Ca 0.10 -1.75 0.07 0.00 0.00 0.00 0.00 61.98 60.40 2f3i s VAL 59 Cb -0.09 -2.11 0.11 0.00 0.00 0.00 0.00 36.38 34.29 2f3i s VAL 59 CO -0.01 -0.27 1.06 2.30 0.00 0.00 0.00 175.10 178.19 2f3i n ILE 60 N -0.19 1.31 0.81 2.22 -5.35 -1.18 -1.01 119.36 115.98 2f3i n ILE 60 Ca -0.04 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 2f3i n ILE 60 Cb 0.64 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 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 -0.78 2.27 0.39 -1.28 0.00 -1.26 -4.41 120.51 115.44 2f3i n ALA 61 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.55 2f3i n ALA 61 Cb 0.39 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 19.08 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 0.36 0.00 -4.09 0.00 7.64 -1.26 -4.78 113.62 111.50 2f3i n SER 62 Ca 0.00 0.48 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 2f3i n SER 62 Cb 0.31 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 2f3i n SER 62 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2f3i s THR 63 N -2.98 0.00 -0.24 0.44 -1.32 -1.26 -5.01 115.64 105.28 2f3i s THR 63 Ca 0.06 -1.66 -0.28 0.00 -1.21 0.00 0.00 61.69 58.59 2f3i s THR 63 Cb 0.07 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 2f3i s THR 63 CO 0.20 -0.01 2.01 -0.22 -2.21 0.00 0.00 174.62 174.40 2f3i s LEU 64 N -3.08 3.56 0.33 9.08 2.96 -1.26 -4.97 118.68 125.31 2f3i s LEU 64 Ca 0.29 1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 55.64 2f3i s LEU 64 Cb 0.03 -3.52 -0.12 0.00 0.50 0.00 0.00 46.19 43.08 2f3i s LEU 64 CO 0.10 -1.76 1.51 -1.22 -1.32 0.00 0.00 176.35 173.66 2f3i n TYR 65 N 10.70 2.83 0.39 5.38 4.01 -1.26 -4.82 117.16 134.38 2f3i n TYR 65 Ca 0.26 0.37 0.11 0.00 -0.16 0.00 0.00 57.90 58.48 2f3i n TYR 65 Cb 0.45 -2.55 0.46 0.00 -0.31 0.00 0.00 39.34 37.40 2f3i n TYR 65 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2f3i n GLU 66 N 1.25 0.16 -2.34 -0.72 0.28 -0.94 -3.73 120.64 114.59 2f3i n GLU 66 Ca 0.05 0.41 -0.39 0.00 -0.16 0.00 0.00 57.16 57.07 2f3i n GLU 66 Cb 0.37 -1.81 -0.03 0.00 1.43 0.00 0.00 31.44 31.40 2f3i n GLU 66 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2f3i s ASP 67 N -4.00 6.86 0.62 -1.84 -1.08 -1.26 -4.68 116.67 111.29 2f3i s ASP 67 Ca 0.04 2.37 0.26 0.00 -0.52 0.00 0.00 52.55 54.70 2f3i s ASP 67 Cb 0.09 -2.62 1.31 0.00 -1.46 0.00 0.00 42.92 40.24 2f3i s ASP 67 CO 0.35 -0.44 1.74 1.23 0.52 0.00 0.00 175.17 178.57 2f3i h GLY 68 N 3.21 0.00 1.30 2.66 0.00 -1.91 -0.18 103.07 108.15 2f3i h GLY 68 Ca -0.48 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.94 2f3i h GLY 68 CO 0.65 0.00 0.26 -0.84 0.00 0.00 0.00 176.54 176.61 2f3i h THR 69 N 0.00 0.60 0.00 4.70 2.02 -1.91 -1.05 112.91 117.26 2f3i h THR 69 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2f3i h THR 69 Cb 1.34 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2f3i h THR 69 CO -0.00 0.00 -0.85 0.18 0.37 0.00 0.00 175.52 175.22 2f3i n LEU 70 N -4.05 1.61 0.29 2.58 4.77 -0.61 -4.22 117.00 117.38 2f3i n LEU 70 Ca 0.04 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.21 2f3i n LEU 70 Cb 0.42 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.34 2f3i n LEU 70 CO 0.31 0.27 1.04 -0.78 -1.33 0.00 0.00 177.39 176.90 2f3i h ASP 71 N 0.00 0.00 -0.09 -1.43 3.58 -1.08 -0.91 116.42 116.49 2f3i h ASP 71 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 2f3i h ASP 71 Cb 0.85 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.69 2f3i h ASP 71 CO 0.00 0.00 -0.77 -0.67 -2.88 0.00 0.00 179.24 174.92 2f3i n ASP 72 N -3.04 1.70 -1.34 2.28 2.03 -0.41 -4.74 116.55 113.03 2f3i n ASP 72 Ca -0.00 -3.04 0.03 0.00 0.52 0.00 0.00 54.79 52.29 2f3i n ASP 72 Cb 0.24 -0.42 0.01 0.00 -0.72 0.00 0.00 41.12 40.22 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 -0.44 0.90 2.88 0.27 0.00 -0.41 -4.87 105.19 103.53 2f3i n GLY 73 Ca 0.15 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 0.40 -1.84 -1.95 1.61 2.13 -1.02 -1.09 120.64 118.87 2f3i n GLU 74 Ca 0.02 0.71 -0.13 0.00 0.66 0.00 0.00 57.16 58.43 2f3i n GLU 74 Cb 1.05 -5.17 -0.03 0.00 0.27 0.00 0.00 31.44 27.56 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 -2.11 -0.92 -2.88 4.31 9.36 -0.82 -4.89 117.16 119.22 2f3i n TYR 75 Ca -0.06 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.07 2f3i n TYR 75 Cb 0.55 -2.72 -0.00 0.00 -0.63 0.00 0.00 39.34 36.54 2f3i n TYR 75 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2f3i n ASN 76 N -1.20 -2.79 -2.62 2.98 5.15 -0.25 -4.84 115.26 111.69 2f3i n ASN 76 Ca -0.14 -2.88 -0.24 0.00 -0.60 0.00 0.00 54.58 50.72 2f3i n ASN 76 Cb 0.53 1.32 -0.10 0.00 -0.53 0.00 0.00 39.78 40.99 2f3i n ASN 76 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2f3i n PRO 77 N 2.69 2.73 -1.07 1.20 -0.04 -1.24 -4.45 135.00 134.81 2f3i n PRO 77 Ca 0.19 -1.53 -0.03 0.00 -0.04 0.00 0.00 63.50 62.09 2f3i n PRO 77 Cb 0.56 -2.36 -0.01 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.03 0.00 0.02 0.52 -2.24 -1.26 -4.90 114.28 109.45 2f3i n THR 78 Ca 0.58 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.38 2f3i n THR 78 Cb 0.58 -0.90 0.34 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.45 0.00 3.42 3.58 -1.91 -3.33 116.42 118.63 2f3i h ASP 79 Ca -0.05 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2f3i h ASP 79 Cb 0.80 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2f3i h ASP 79 CO 0.08 0.48 0.00 -0.67 -2.88 0.00 0.00 179.24 176.25 2f3i n ASP 80 N -4.33 0.39 -4.69 2.28 2.03 -1.26 -4.93 116.55 106.04 2f3i n ASP 80 Ca 0.02 -1.14 -0.43 0.00 0.52 0.00 0.00 54.79 53.75 2f3i n ASP 80 Cb 0.20 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.59 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 -0.07 2.06 -0.40 -0.67 -4.01 -1.25 -3.61 116.66 108.71 2f3i n ARG 81 Ca 0.00 0.72 0.00 0.00 -1.04 0.00 0.00 57.85 57.53 2f3i n ARG 81 Cb 0.34 -2.30 0.00 0.00 -3.04 0.00 0.00 32.46 27.46 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 0.82 -0.00 -3.87 2.89 -0.02 -1.26 -4.92 135.00 128.64 2f3i n PRO 82 Ca 0.06 -0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 2f3i n PRO 82 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.74 2f3i n PRO 82 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2f3i s SER 83 N -0.33 0.08 0.51 2.55 0.01 -1.24 -5.16 113.70 110.13 2f3i s SER 83 Ca 0.00 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 2f3i s SER 83 Cb 0.00 0.26 -0.07 0.00 0.21 0.00 0.00 66.02 66.42 2f3i s SER 83 CO 0.00 -0.52 1.11 -0.13 0.41 0.00 0.00 173.24 174.11 2f3i s ARG 84 N -2.42 3.54 -0.32 12.44 0.52 -1.26 -4.95 118.95 126.50 2f3i s ARG 84 Ca -0.06 1.58 -0.28 0.00 -0.52 0.00 0.00 55.73 56.44 2f3i s ARG 84 Cb -0.02 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 2f3i s ARG 84 CO -0.03 -0.69 1.96 0.00 0.02 0.00 0.00 175.30 176.56 2f3i s ALA 85 N -1.78 2.72 0.00 2.13 0.00 -1.26 -4.67 121.76 118.90 2f3i s ALA 85 Ca 0.70 0.34 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2f3i s ALA 85 Cb -0.23 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2f3i s ALA 85 CO 0.26 -2.85 0.05 -3.47 0.00 0.00 0.00 175.76 169.76 2f3i n ASP 86 N 11.14 0.00 0.00 0.00 2.03 -1.26 -4.91 116.55 123.55 2f3i n ASP 86 Ca 0.25 -1.00 0.09 0.00 0.52 0.00 0.00 54.79 54.66 2f3i n ASP 86 Cb 0.47 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.42 2f3i n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i n GLN 87 N 0.00 0.60 -3.90 -0.67 3.00 -1.26 -4.73 117.38 110.41 2f3i n GLN 87 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2f3i n GLN 87 Cb 0.29 -1.48 -0.07 0.00 0.00 0.00 0.00 30.24 28.97 2f3i n GLN 87 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2f3i s PHE 88 N -2.00 0.26 0.00 1.08 -0.71 -1.26 -5.00 117.98 110.34 2f3i s PHE 88 Ca 0.28 -0.68 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 2f3i s PHE 88 Cb 0.13 -0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2f3i s PHE 88 CO 0.21 -0.58 0.00 0.39 -1.34 0.00 0.00 175.22 173.91 2f3i n GLU 89 N -0.09 1.68 -3.85 1.99 1.02 -0.74 -5.01 120.64 115.65 2f3i n GLU 89 Ca -0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 2f3i n GLU 89 Cb 0.63 -0.94 -0.10 0.00 -0.02 0.00 0.00 31.44 31.01 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2f3i s TYR 90 N -1.81 -0.01 -0.00 -0.32 5.04 -0.39 -5.00 117.35 114.85 2f3i s TYR 90 Ca 0.00 -0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.55 2f3i s TYR 90 Cb 0.00 -0.01 -0.00 0.00 0.35 0.00 0.00 41.96 42.29 2f3i s TYR 90 CO 0.00 -0.30 0.10 0.14 -1.34 0.00 0.00 175.55 174.15 2f3i s VAL 91 N -1.30 0.07 0.25 3.14 -7.23 -1.26 -0.98 120.40 113.10 2f3i s VAL 91 Ca -0.14 -0.62 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 2f3i s VAL 91 Cb -0.07 -0.35 0.03 0.00 0.56 0.00 0.00 36.38 36.55 2f3i s VAL 91 CO 0.02 -0.34 0.68 -0.32 -0.31 0.00 0.00 175.10 174.83 2f3i s MET 92 N -1.15 1.67 0.09 4.82 1.75 -0.13 -4.98 119.30 121.38 2f3i s MET 92 Ca -0.12 -0.91 0.06 0.00 -1.25 0.00 0.00 55.69 53.47 2f3i s MET 92 Cb -0.07 0.60 -0.03 0.00 2.84 0.00 0.00 34.83 38.16 2f3i s MET 92 CO 0.01 -0.76 -0.17 -0.47 -0.65 0.00 0.00 175.02 172.98 2f3i s TYR 93 N -3.89 1.44 0.00 4.11 5.04 -1.26 -1.51 117.35 121.29 2f3i s TYR 93 Ca 0.10 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2f3i s TYR 93 Cb -0.05 -0.80 0.00 0.00 0.35 0.00 0.00 41.96 41.47 2f3i s TYR 93 CO 0.03 0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.77 2f3i n GLY 94 N 1.13 3.78 3.03 8.97 0.00 -0.96 -3.88 105.19 117.26 2f3i n GLY 94 Ca -0.20 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 0.98 0.19 0.37 1.61 1.02 -0.13 -4.79 119.74 118.99 2f3i s LYS 95 Ca 0.00 0.44 -0.25 0.00 0.02 0.00 0.00 55.97 56.18 2f3i s LYS 95 Cb 0.00 -0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 2f3i s LYS 95 CO 0.00 -0.13 1.01 0.08 -0.92 0.00 0.00 175.35 175.39 2f3i s VAL 96 N 0.96 3.93 -0.43 3.17 1.01 -1.18 -1.82 120.40 126.04 2f3i s VAL 96 Ca -0.07 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.48 2f3i s VAL 96 Cb -0.08 -3.79 0.21 0.00 0.00 0.00 0.00 36.38 32.72 2f3i s VAL 96 CO -0.06 0.04 0.52 -1.22 0.00 0.00 0.00 175.10 174.38 2f3i n TYR 97 N 0.14 -1.37 -3.67 5.22 4.01 0.51 -4.96 117.16 117.03 2f3i n TYR 97 Ca 0.04 -2.98 -0.11 0.00 -0.16 0.00 0.00 57.90 54.69 2f3i n TYR 97 Cb 0.50 0.34 -0.06 0.00 -0.31 0.00 0.00 39.34 39.81 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 -0.24 0.98 0.03 -0.72 6.06 -1.26 -4.41 118.95 119.39 2f3i s ARG 98 Ca 0.33 -0.59 -0.00 0.00 -2.50 0.00 0.00 55.73 52.97 2f3i s ARG 98 Cb 0.11 0.43 0.01 0.00 0.06 0.00 0.00 34.95 35.56 2f3i s ARG 98 CO -0.15 -0.36 0.04 0.44 -2.50 0.00 0.00 175.30 172.76 2f3i n ILE 99 N 0.10 0.00 0.00 4.11 -5.35 -1.26 -4.92 119.36 112.04 2f3i n ILE 99 Ca -0.17 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2f3i n ILE 99 Cb 0.62 -1.69 0.00 0.00 -1.74 0.00 0.00 39.64 36.83 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2f3i n GLU 100 N -1.23 0.00 0.00 6.28 -0.00 -1.26 -4.52 120.64 119.90 2f3i n GLU 100 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.16 57.60 2f3i n GLU 100 Cb 0.02 -1.56 0.00 0.00 -0.00 0.00 0.00 31.44 29.90 2f3i n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2f3i n GLY 101 N -1.43 -0.73 1.15 -1.84 0.00 -1.26 -4.37 105.19 96.71 2f3i n GLY 101 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 0.03 -2.02 1.61 2.03 -1.26 -4.36 116.55 112.58 2f3i n ASP 102 Ca 0.00 -1.93 -0.02 0.00 0.52 0.00 0.00 54.79 53.36 2f3i n ASP 102 Cb 0.00 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.22 -0.72 -1.13 -0.67 2.13 -1.26 -5.00 120.64 114.22 2f3i n GLU 103 Ca -0.09 1.00 0.14 0.00 0.66 0.00 0.00 57.16 58.87 2f3i n GLU 103 Cb 0.89 -3.03 -0.07 0.00 0.27 0.00 0.00 31.44 29.50 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 -0.76 -0.50 0.00 6.31 -2.24 -1.26 -4.84 114.28 110.99 2f3i n THR 104 Ca 0.03 0.63 0.00 0.00 -2.27 0.00 0.00 64.05 62.44 2f3i n THR 104 Cb 0.30 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.86 0.00 0.05 3.42 3.41 -1.21 -4.39 113.62 111.04 2f3i n SER 105 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2f3i n SER 105 Cb 0.53 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.85 0.37 -0.11 6.66 -2.24 -1.26 -5.00 114.28 110.84 2f3i n THR 106 Ca 0.00 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2f3i n THR 106 Cb 0.00 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 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 -3.16 2.65 -3.47 -0.78 0.28 -1.26 -5.08 120.64 109.82 2f3i n GLU 107 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 2f3i n GLU 107 Cb 0.13 -0.22 -0.03 0.00 1.43 0.00 0.00 31.44 32.75 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f3i s ALA 108 N 0.00 -1.58 0.58 -1.84 0.00 -1.26 -4.95 121.76 112.71 2f3i s ALA 108 Ca 0.00 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 2f3i s ALA 108 Cb 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2f3i s ALA 108 CO 0.00 -0.64 1.29 0.00 0.00 0.00 0.00 175.76 176.41 2f3i s ALA 109 N -2.99 2.64 -1.32 0.00 0.00 -1.26 -3.29 121.76 115.54 2f3i s ALA 109 Ca -0.03 1.19 0.12 0.00 0.00 0.00 0.00 51.96 53.25 2f3i s ALA 109 Cb -0.01 -3.52 0.60 0.00 0.00 0.00 0.00 23.12 20.19 2f3i s ALA 109 CO -0.06 -1.32 1.33 2.41 0.00 0.00 0.00 175.76 178.11 2f3i n THR 110 N -1.37 0.80 -4.05 0.00 -1.04 -1.26 -4.32 114.28 103.05 2f3i n THR 110 Ca 0.12 0.20 -0.14 0.00 -2.04 0.00 0.00 64.05 62.19 2f3i n THR 110 Cb 0.47 -1.00 -0.14 0.00 -1.82 0.00 0.00 70.33 67.84 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2f3i s ARG 111 N -2.68 0.27 0.67 -2.82 3.00 -1.26 -4.70 118.95 111.43 2f3i s ARG 111 Ca 0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 55.73 55.60 2f3i s ARG 111 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 34.95 34.76 2f3i s ARG 111 CO 0.20 0.07 1.05 -1.17 0.00 0.00 0.00 175.30 175.45 2f3i s LEU 112 N -0.06 3.19 0.05 2.53 2.96 0.19 -4.45 118.68 123.09 2f3i s LEU 112 Ca 0.01 1.59 0.03 0.00 -0.22 0.00 0.00 54.13 55.54 2f3i s LEU 112 Cb -0.02 -4.49 -0.03 0.00 0.50 0.00 0.00 46.19 42.16 2f3i s LEU 112 CO -0.00 -1.30 -0.09 -0.44 -1.32 0.00 0.00 176.35 173.20 2f3i s SER 113 N -3.78 1.03 -0.05 3.68 0.01 -1.26 -1.25 113.70 112.08 2f3i s SER 113 Ca 0.58 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 57.23 2f3i s SER 113 Cb -0.13 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.15 2f3i s SER 113 CO 0.53 -0.20 0.10 0.00 0.41 0.00 0.00 173.24 174.09 2f3i s ALA 114 N -1.50 -0.11 -0.14 1.44 0.00 -0.38 -4.55 121.76 116.52 2f3i s ALA 114 Ca -0.07 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 2f3i s ALA 114 Cb -0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2f3i s ALA 114 CO 0.00 -0.19 -0.10 0.71 0.00 0.00 0.00 175.76 176.19 2f3i s TYR 115 N 1.27 2.88 -0.05 0.00 2.02 -1.26 -0.86 117.35 121.35 2f3i s TYR 115 Ca -0.08 -0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 55.99 2f3i s TYR 115 Cb -0.12 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2f3i s TYR 115 CO -0.05 -0.16 0.23 0.54 -1.57 0.00 0.00 175.55 174.53 2f3i s VAL 116 N 0.37 0.04 0.02 0.71 0.11 -0.55 -0.36 120.40 120.73 2f3i s VAL 116 Ca -0.09 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2f3i s VAL 116 Cb -0.15 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2f3i s VAL 116 CO 0.05 -0.16 -0.08 -0.55 -3.33 0.00 0.00 175.10 171.02 2f3i s SER 117 N -0.61 0.93 -0.44 3.54 0.15 -0.76 -1.19 113.70 115.33 2f3i s SER 117 Ca -0.07 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.31 2f3i s SER 117 Cb -0.04 -0.05 0.16 0.00 -1.71 0.00 0.00 66.02 64.38 2f3i s SER 117 CO 0.01 -0.02 0.33 -0.31 1.20 0.00 0.00 173.24 174.46 2f3i s TYR 118 N -0.64 1.37 -2.00 3.44 1.51 0.49 -0.95 117.35 120.56 2f3i s TYR 118 Ca -0.01 -2.32 0.00 0.00 -1.01 0.00 0.00 57.07 53.72 2f3i s TYR 118 Cb -0.06 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 2f3i s TYR 118 CO 0.00 -0.79 0.00 0.41 -1.11 0.00 0.00 175.55 174.06 2f3i n GLY 119 N 3.02 1.80 0.00 0.71 0.00 -1.25 -1.48 105.19 107.98 2f3i n GLY 119 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.32 1.04 3.80 -0.02 0.00 -1.26 -5.11 105.19 103.32 2f3i n GLY 120 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 3.85 0.06 0.99 1.02 -0.55 -4.94 118.68 119.11 2f3i s LEU 121 Ca 0.00 1.91 -0.07 0.00 0.02 0.00 0.00 54.13 55.99 2f3i s LEU 121 Cb 0.00 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.65 2f3i s LEU 121 CO 0.00 -0.76 0.15 -0.22 0.02 0.00 0.00 176.35 175.54 2f3i s LEU 122 N -3.47 1.59 0.08 1.79 0.20 -0.58 -0.38 118.68 117.91 2f3i s LEU 122 Ca 0.67 -0.57 -0.10 0.00 0.69 0.00 0.00 54.13 54.82 2f3i s LEU 122 Cb -0.16 0.84 0.00 0.00 -0.43 0.00 0.00 46.19 46.44 2f3i s LEU 122 CO 0.20 -0.62 0.21 -0.04 -0.29 0.00 0.00 176.35 175.81 2f3i s MET 123 N -3.20 0.84 -0.04 1.98 -1.94 -0.33 -0.35 119.30 116.26 2f3i s MET 123 Ca -0.00 -0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 2f3i s MET 123 Cb 0.02 0.35 0.03 0.00 2.01 0.00 0.00 34.83 37.24 2f3i s MET 123 CO -0.07 -0.27 0.07 1.03 -0.01 0.00 0.00 175.02 175.77 2f3i s ARG 124 N -3.62 0.01 0.12 2.03 0.52 -0.23 -1.48 118.95 116.29 2f3i s ARG 124 Ca 0.03 0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.34 2f3i s ARG 124 Cb 0.04 -0.22 0.03 0.00 0.52 0.00 0.00 34.95 35.31 2f3i s ARG 124 CO -0.10 -0.17 0.37 -0.48 0.02 0.00 0.00 175.30 174.94 2f3i s LEU 125 N 1.09 0.56 0.03 2.53 2.34 -0.04 -0.43 118.68 124.77 2f3i s LEU 125 Ca -0.09 -0.38 0.02 0.00 0.06 0.00 0.00 54.13 53.74 2f3i s LEU 125 Cb -0.12 1.71 -0.02 0.00 -0.56 0.00 0.00 46.19 47.20 2f3i s LEU 125 CO -0.04 -0.84 -0.06 0.00 -1.06 0.00 0.00 176.35 174.35 2f3i s GLN 126 N -3.81 0.46 -0.09 1.48 -2.07 -0.66 -1.24 119.66 113.72 2f3i s GLN 126 Ca 0.03 -0.69 -0.33 0.00 -1.82 0.00 0.00 55.36 52.55 2f3i s GLN 126 Cb 0.02 -0.18 0.14 0.00 -1.09 0.00 0.00 33.01 31.90 2f3i s GLN 126 CO -0.12 0.02 1.37 0.20 -1.32 0.00 0.00 175.29 175.45 2f3i s GLY 127 N -1.49 -0.43 0.24 2.60 0.00 -0.38 -0.87 107.32 106.98 2f3i s GLY 127 Ca -0.11 1.00 -0.31 0.00 0.00 0.00 0.00 44.72 45.30 2f3i s GLY 127 CO -0.00 0.22 1.59 1.34 0.00 0.00 0.00 173.10 176.25 2f3i n ASP 128 N -0.42 3.53 0.00 1.64 2.03 -1.14 -0.64 116.55 121.55 2f3i n ASP 128 Ca -0.07 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.35 2f3i n ASP 128 Cb 0.62 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i n ALA 129 N 2.80 -0.06 0.23 -1.67 0.00 -1.26 -0.40 120.51 120.14 2f3i n ALA 129 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 2f3i n ALA 129 Cb 0.34 0.33 0.55 0.00 0.00 0.00 0.00 19.45 20.67 2f3i n ALA 129 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2f3i h ASN 130 N 0.00 0.00 0.12 0.00 -1.07 -2.01 -0.79 115.58 111.83 2f3i h ASN 130 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 2f3i h ASN 130 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2f3i h ASN 130 CO 0.00 0.22 -0.20 -1.13 0.07 0.00 0.00 177.43 176.39 2f3i h ASN 131 N 0.00 0.15 1.10 6.14 -1.24 -1.86 -2.93 115.58 116.93 2f3i h ASN 131 Ca -0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2f3i h ASN 131 Cb 0.52 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.54 2f3i h ASN 131 CO 0.03 0.36 0.00 -0.11 -1.29 0.00 0.00 177.43 176.42 2f3i n LEU 132 N -4.24 0.56 -3.93 0.34 0.00 0.46 -4.92 117.00 105.26 2f3i n LEU 132 Ca -0.01 0.58 -0.30 0.00 0.00 0.00 0.00 56.01 56.27 2f3i n LEU 132 Cb 0.30 -0.44 0.02 0.00 0.00 0.00 0.00 43.42 43.30 2f3i n LEU 132 CO 0.38 -0.26 0.09 1.57 0.00 0.00 0.00 177.39 179.17 2f3i n HIS 133 N -2.05 -2.25 -1.90 1.96 -0.00 -1.11 -4.89 115.22 104.98 2f3i n HIS 133 Ca 0.05 0.90 -0.02 0.00 -0.00 0.00 0.00 57.72 58.64 2f3i n HIS 133 Cb 0.34 -3.92 0.13 0.00 -0.00 0.00 0.00 29.99 26.53 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 -1.67 4.71 0.00 1.57 0.00 -1.26 -3.56 105.19 104.97 2f3i n GLY 134 Ca 0.03 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.61 2f3i n GLY 134 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2f3i n PHE 135 N -0.77 0.00 -4.50 1.61 1.16 -1.26 -4.56 117.46 109.14 2f3i n PHE 135 Ca 0.23 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.59 2f3i n PHE 135 Cb 0.83 -0.20 -0.14 0.00 -1.61 0.00 0.00 39.48 38.36 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2f3i s GLU 136 N -2.39 1.05 0.12 3.97 0.41 -1.26 -4.99 118.70 115.60 2f3i s GLU 136 Ca 0.28 -0.65 0.08 0.00 -0.41 0.00 0.00 54.97 54.28 2f3i s GLU 136 Cb 0.17 -1.04 0.44 0.00 -1.78 0.00 0.00 34.13 31.92 2f3i s GLU 136 CO 0.36 0.27 1.23 1.55 -0.49 0.00 0.00 175.26 178.18 2f3i n VAL 137 N 2.29 1.57 -1.35 2.63 3.14 -1.26 -1.14 118.33 124.20 2f3i n VAL 137 Ca -0.16 0.59 0.08 0.00 -2.96 0.00 0.00 64.34 61.89 2f3i n VAL 137 Cb 0.55 -1.59 0.12 0.00 -1.06 0.00 0.00 33.84 31.86 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2f3i n ASP 138 N -1.77 1.82 0.00 6.55 5.75 -1.26 -3.13 116.55 124.50 2f3i n ASP 138 Ca -0.01 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 2f3i n ASP 138 Cb 0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2f3i n ASP 138 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2f3i n SER 139 N -1.09 0.00 -0.31 -1.12 7.64 -0.29 -4.40 113.62 114.05 2f3i n SER 139 Ca 0.13 0.26 0.01 0.00 1.01 0.00 0.00 58.87 60.29 2f3i n SER 139 Cb 0.67 -0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.84 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 -0.75 1.30 0.20 1.43 1.85 -1.23 -3.01 116.66 116.45 2f3i n ARG 140 Ca 0.00 -0.36 0.05 0.00 -1.00 0.00 0.00 57.85 56.54 2f3i n ARG 140 Cb 0.00 -1.21 0.44 0.00 -1.05 0.00 0.00 32.46 30.64 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 0.55 1.06 -3.23 8.89 -1.51 -1.84 -3.39 116.25 116.78 2f3i h VAL 141 Ca 0.00 -1.11 -0.56 0.00 -1.23 0.00 0.00 66.70 63.81 2f3i h VAL 141 Cb 0.28 1.62 -0.06 0.00 -2.13 0.00 0.00 31.29 31.00 2f3i h VAL 141 CO 0.02 0.30 1.02 -0.31 -1.23 0.00 0.00 177.57 177.37 2f3i s TYR 142 N -4.15 2.52 -0.13 5.19 2.02 -1.17 -2.27 117.35 119.36 2f3i s TYR 142 Ca -0.02 0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 57.23 2f3i s TYR 142 Cb 0.14 -4.42 -0.02 0.00 -0.40 0.00 0.00 41.96 37.26 2f3i s TYR 142 CO 0.69 -1.71 -0.11 -1.17 -1.57 0.00 0.00 175.55 171.68 2f3i s LEU 143 N 5.26 2.87 -0.01 -1.29 2.96 -0.57 -4.31 118.68 123.60 2f3i s LEU 143 Ca 0.51 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2f3i s LEU 143 Cb -0.10 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2f3i s LEU 143 CO 0.28 0.19 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.28 2f3i s LEU 144 N 0.19 1.65 0.03 -0.68 0.20 -0.18 -0.96 118.68 118.94 2f3i s LEU 144 Ca -0.06 -0.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.70 2f3i s LEU 144 Cb -0.15 -0.14 -0.02 0.00 -0.43 0.00 0.00 46.19 45.46 2f3i s LEU 144 CO 0.04 -0.03 0.04 0.00 -0.29 0.00 0.00 176.35 176.12 2f3i s MET 145 N 0.39 0.47 0.21 1.98 0.23 -0.15 -0.61 119.30 121.83 2f3i s MET 145 Ca -0.04 -0.69 -0.23 0.00 -1.03 0.00 0.00 55.69 53.71 2f3i s MET 145 Cb -0.06 0.18 0.06 0.00 -1.53 0.00 0.00 34.83 33.48 2f3i s MET 145 CO -0.01 -0.10 0.92 -1.59 -2.03 0.00 0.00 175.02 172.21 2f3i s LYS 146 N -2.10 1.45 0.83 3.16 -2.85 -0.63 -1.27 119.74 118.34 2f3i s LYS 146 Ca -0.10 -0.86 -0.14 0.00 -1.00 0.00 0.00 55.97 53.88 2f3i s LYS 146 Cb -0.05 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2f3i s LYS 146 CO -0.03 -0.67 0.76 0.36 0.10 0.00 0.00 175.35 175.87 2f3i n LYS 147 N -0.53 0.04 -1.00 1.78 2.85 -1.26 -0.41 118.16 119.64 2f3i n LYS 147 Ca -0.05 0.07 -0.29 0.00 -1.05 0.00 0.00 58.31 56.99 2f3i n LYS 147 Cb 0.60 -2.08 0.19 0.00 -0.65 0.00 0.00 35.03 33.09 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 -2.73 1.44 -0.07 -5.58 0.05 -1.26 -4.45 118.68 106.08 2f3i s LEU 148 Ca 0.66 1.30 -0.01 0.00 0.05 0.00 0.00 54.13 56.14 2f3i s LEU 148 Cb -0.28 -3.43 0.03 0.00 -2.05 0.00 0.00 46.19 40.45 2f3i s LEU 148 CO 0.58 -3.40 -0.02 0.00 -0.55 0.00 0.00 176.35 172.97 2f3i s ALA 149 N -2.83 0.73 0.00 1.48 0.00 -1.26 -5.03 121.76 114.86 2f3i s ALA 149 Ca 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2f3i s ALA 149 Cb -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2f3i s ALA 149 CO 0.59 -0.32 0.00 0.34 0.00 0.00 0.00 175.76 176.37