#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 2.39 -2.06 3.04 0.00 -1.26 -4.20 121.76 119.67 2f3i s ALA 2 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2f3i s ALA 2 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2f3i s ALA 2 CO 0.00 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2f3i n GLY 3 N -1.13 1.27 3.68 0.00 0.00 -1.26 -5.00 105.19 102.76 2f3i n GLY 3 Ca 0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.84 1.80 -0.16 -0.61 -4.36 -1.26 -5.06 121.20 108.71 2f3i s ILE 4 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.32 2f3i s ILE 4 Cb 0.00 -2.60 0.07 0.00 1.25 0.00 0.00 42.46 41.18 2f3i s ILE 4 CO 0.00 0.00 0.35 -0.22 0.24 0.00 0.00 174.94 175.31 2f3i s LEU 5 N -6.57 -0.23 -0.14 0.37 2.96 -1.26 -4.17 118.68 109.64 2f3i s LEU 5 Ca 0.69 0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 55.14 2f3i s LEU 5 Cb -0.12 1.11 0.06 0.00 0.50 0.00 0.00 46.19 47.74 2f3i s LEU 5 CO 0.56 -0.21 0.63 0.12 -1.32 0.00 0.00 176.35 176.12 2f3i s PHE 6 N 1.98 -0.63 -0.06 5.38 2.19 -1.26 -5.02 117.98 120.55 2f3i s PHE 6 Ca -0.05 1.32 -0.11 0.00 0.33 0.00 0.00 56.93 58.43 2f3i s PHE 6 Cb -0.11 0.30 0.02 0.00 -1.31 0.00 0.00 43.02 41.92 2f3i s PHE 6 CO -0.11 -0.46 0.26 -2.00 1.83 0.00 0.00 175.22 174.74 2f3i s GLU 7 N -0.49 0.46 0.23 10.12 2.12 -1.26 -2.54 118.70 127.32 2f3i s GLU 7 Ca -0.06 0.07 -0.16 0.00 0.36 0.00 0.00 54.97 55.18 2f3i s GLU 7 Cb -0.03 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.58 2f3i s GLU 7 CO 0.05 -0.10 0.52 0.34 -0.54 0.00 0.00 175.26 175.54 2f3i s ASP 8 N -0.58 -0.17 -0.20 -1.70 2.15 -0.25 -5.01 116.67 110.91 2f3i s ASP 8 Ca -0.07 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.22 2f3i s ASP 8 Cb -0.04 0.60 0.04 0.00 -0.30 0.00 0.00 42.92 43.22 2f3i s ASP 8 CO 0.02 -1.12 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.17 2f3i s ILE 9 N -3.94 1.60 0.21 4.11 1.09 -1.26 -0.60 121.20 122.40 2f3i s ILE 9 Ca 0.15 -1.00 -0.05 0.00 -1.10 0.00 0.00 60.65 58.66 2f3i s ILE 9 Cb -0.01 -1.69 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 2f3i s ILE 9 CO 0.04 0.15 0.45 0.72 -0.10 0.00 0.00 174.94 176.19 2f3i s PHE 10 N 1.41 3.47 -0.03 3.97 -0.12 0.07 -1.76 117.98 124.99 2f3i s PHE 10 Ca -0.01 0.58 0.01 0.00 -0.05 0.00 0.00 56.93 57.46 2f3i s PHE 10 Cb -0.16 -2.04 0.01 0.00 -0.63 0.00 0.00 43.02 40.20 2f3i s PHE 10 CO -0.08 0.33 -0.05 0.34 -0.05 0.00 0.00 175.22 175.71 2f3i s ASP 11 N -2.77 0.79 0.41 1.98 2.15 -0.48 -1.68 116.67 117.07 2f3i s ASP 11 Ca 0.42 -0.11 -0.25 0.00 0.43 0.00 0.00 52.55 53.04 2f3i s ASP 11 Cb -0.11 -0.28 -0.08 0.00 -0.30 0.00 0.00 42.92 42.15 2f3i s ASP 11 CO 0.26 -0.01 1.21 -0.69 -0.17 0.00 0.00 175.17 175.78 2f3i s VAL 12 N 0.50 2.96 0.00 1.11 1.01 -1.26 -1.21 120.40 123.50 2f3i s VAL 12 Ca -0.06 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2f3i s VAL 12 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2f3i s VAL 12 CO -0.00 0.08 0.00 0.29 0.00 0.00 0.00 175.10 175.47 2f3i n LYS 13 N 0.02 2.82 -3.80 2.72 4.76 0.88 -4.87 118.16 120.68 2f3i n LYS 13 Ca 0.04 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.40 2f3i n LYS 13 Cb 0.46 -0.89 -0.02 0.00 -1.84 0.00 0.00 35.03 32.73 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 -2.40 -0.29 -0.01 4.39 2.15 -0.58 -4.97 116.67 114.97 2f3i s ASP 14 Ca 0.00 -0.54 0.02 0.00 0.43 0.00 0.00 52.55 52.46 2f3i s ASP 14 Cb 0.00 0.69 -0.00 0.00 -0.30 0.00 0.00 42.92 43.31 2f3i s ASP 14 CO 0.00 -1.26 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.05 2f3i s ILE 15 N -3.90 0.49 -0.36 4.11 1.09 -1.26 -1.29 121.20 120.08 2f3i s ILE 15 Ca 0.10 -0.25 0.02 0.00 -1.10 0.00 0.00 60.65 59.43 2f3i s ILE 15 Cb -0.05 -0.42 0.15 0.00 -1.06 0.00 0.00 42.46 41.08 2f3i s ILE 15 CO 0.04 0.15 0.35 -0.62 -0.10 0.00 0.00 174.94 174.75 2f3i s ASP 16 N -0.05 1.44 -0.68 3.58 2.15 0.17 -4.97 116.67 118.32 2f3i s ASP 16 Ca 0.01 -1.50 -0.26 0.00 0.43 0.00 0.00 52.55 51.23 2f3i s ASP 16 Cb -0.04 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 43.00 2f3i s ASP 16 CO -0.00 -0.29 1.96 -2.84 -0.17 0.00 0.00 175.17 173.83 2f3i s PRO 17 N 1.55 2.52 0.35 4.34 0.02 -1.26 -1.45 135.00 141.07 2f3i s PRO 17 Ca 0.16 0.45 0.03 0.00 0.02 0.00 0.00 61.00 61.66 2f3i s PRO 17 Cb -0.16 -4.59 0.66 0.00 0.02 0.00 0.00 34.50 30.43 2f3i s PRO 17 CO -0.08 -3.02 2.00 0.93 -0.33 0.00 0.00 177.00 176.50 2f3i h GLU 18 N 14.41 0.81 0.00 5.54 5.08 -1.93 -3.42 114.58 135.07 2f3i h GLU 18 Ca -0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2f3i h GLU 18 Cb 1.13 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2f3i h GLU 18 CO 1.20 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 180.16 2f3i n GLY 19 N -1.44 0.00 3.73 -3.84 0.00 -1.26 -5.14 105.19 97.24 2f3i n GLY 19 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2f3i n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3i s LYS 20 N 0.00 4.25 0.42 1.61 -0.14 -1.26 -4.92 119.74 119.70 2f3i s LYS 20 Ca 0.00 2.29 0.08 0.00 -1.36 0.00 0.00 55.97 56.98 2f3i s LYS 20 Cb 0.00 -3.15 0.88 0.00 -1.68 0.00 0.00 37.83 33.88 2f3i s LYS 20 CO 0.00 -0.49 2.05 -0.22 -0.76 0.00 0.00 175.35 175.93 2f3i h LYS 21 N 5.97 0.47 -3.56 1.68 1.63 -2.01 -3.37 116.57 117.38 2f3i h LYS 21 Ca -0.44 -0.04 -0.57 0.00 -0.85 0.00 0.00 60.65 58.75 2f3i h LYS 21 Cb 1.21 -0.10 -0.40 0.00 -0.60 0.00 0.00 32.23 32.34 2f3i h LYS 21 CO 0.84 0.34 -0.76 -0.06 -3.45 0.00 0.00 179.45 176.36 2f3i s PHE 22 N -5.38 1.55 0.45 1.91 0.08 -1.26 -5.04 117.98 110.29 2f3i s PHE 22 Ca -0.08 -1.53 0.17 0.00 0.12 0.00 0.00 56.93 55.61 2f3i s PHE 22 Cb 0.17 -1.54 1.12 0.00 -0.57 0.00 0.00 43.02 42.20 2f3i s PHE 22 CO 0.73 -0.82 1.96 0.22 -0.10 0.00 0.00 175.22 177.20 2f3i h ASP 23 N 8.12 0.29 0.16 1.36 3.58 -2.00 -1.13 116.42 126.81 2f3i h ASP 23 Ca -0.15 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2f3i h ASP 23 Cb 1.04 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2f3i h ASP 23 CO 0.44 0.16 0.00 -2.11 -2.88 0.00 0.00 179.24 174.85 2f3i n ARG 24 N -4.45 0.12 -4.04 0.28 1.85 -1.26 -4.22 116.66 104.93 2f3i n ARG 24 Ca 0.12 0.21 -0.32 0.00 -1.00 0.00 0.00 57.85 56.86 2f3i n ARG 24 Cb 0.50 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.25 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 -2.57 1.98 0.19 8.89 1.01 -0.43 -0.49 120.40 128.98 2f3i s VAL 25 Ca 0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 2f3i s VAL 25 Cb 0.06 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2f3i s VAL 25 CO 0.13 0.05 0.12 -0.44 0.00 0.00 0.00 175.10 174.96 2f3i s SER 26 N 1.21 0.17 0.50 3.32 0.01 -0.28 -4.77 113.70 113.86 2f3i s SER 26 Ca -0.06 -1.35 -0.20 0.00 1.31 0.00 0.00 55.95 55.65 2f3i s SER 26 Cb -0.18 0.37 -0.08 0.00 0.21 0.00 0.00 66.02 66.33 2f3i s SER 26 CO -0.07 -0.82 1.05 -0.60 0.41 0.00 0.00 173.24 173.21 2f3i s ARG 27 N -4.14 3.73 0.11 12.44 3.52 -0.53 -1.65 118.95 132.43 2f3i s ARG 27 Ca 0.36 1.36 0.03 0.00 -0.13 0.00 0.00 55.73 57.35 2f3i s ARG 27 Cb 0.07 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.34 2f3i s ARG 27 CO 0.10 -0.49 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.51 2f3i s LEU 28 N -3.60 2.47 -0.04 -0.88 1.43 0.52 -0.65 118.68 117.93 2f3i s LEU 28 Ca 0.67 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2f3i s LEU 28 Cb -0.17 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.85 2f3i s LEU 28 CO 0.22 -0.37 -0.13 -2.28 0.23 0.00 0.00 176.35 174.02 2f3i s HIS 29 N -3.11 1.40 0.20 0.29 5.65 -0.41 -1.41 115.29 117.90 2f3i s HIS 29 Ca 0.10 -0.41 -0.04 0.00 0.25 0.00 0.00 55.06 54.96 2f3i s HIS 29 Cb 0.02 -0.97 -0.03 0.00 -1.18 0.00 0.00 32.58 30.41 2f3i s HIS 29 CO -0.02 -0.16 0.20 0.00 -0.65 0.00 0.00 174.74 174.11 2f3i s GLU 31 N -4.10 0.44 0.67 0.00 2.12 -0.35 -1.64 118.70 115.84 2f3i s GLU 31 Ca 0.32 -0.43 -0.12 0.00 0.36 0.00 0.00 54.97 55.10 2f3i s GLU 31 Cb 0.05 -0.31 -0.00 0.00 0.26 0.00 0.00 34.13 34.12 2f3i s GLU 31 CO 0.09 0.07 1.06 -1.54 -0.54 0.00 0.00 175.26 174.40 2f3i s SER 32 N -0.77 5.51 0.09 -1.70 1.04 -1.26 -1.38 113.70 115.23 2f3i s SER 32 Ca -0.04 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 57.91 2f3i s SER 32 Cb -0.05 -2.50 -0.14 0.00 0.10 0.00 0.00 66.02 63.42 2f3i s SER 32 CO 0.00 -1.35 1.31 -0.08 0.98 0.00 0.00 173.24 174.10 2f3i h GLU 33 N -0.41 0.71 0.00 4.02 4.57 -1.73 -3.41 114.58 118.33 2f3i h GLU 33 Ca -0.45 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.21 2f3i h GLU 33 Cb 1.21 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2f3i h GLU 33 CO 0.57 1.14 0.00 0.43 -1.18 0.00 0.00 179.01 179.97 2f3i n SER 34 N -4.09 0.30 -0.05 1.04 7.64 -1.26 -4.88 113.62 112.31 2f3i n SER 34 Ca -0.07 -1.12 0.05 0.00 1.01 0.00 0.00 58.87 58.74 2f3i n SER 34 Cb 0.64 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.06 0.00 -2.82 1.43 3.72 -1.26 -5.01 117.46 113.46 2f3i n PHE 35 Ca 0.00 -0.70 -0.08 0.00 -0.05 0.00 0.00 57.45 56.62 2f3i n PHE 35 Cb 0.37 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.90 -2.63 -2.13 -1.08 -0.00 -1.26 -4.86 118.16 105.30 2f3i n LYS 36 Ca 0.07 0.09 -0.33 0.00 -0.00 0.00 0.00 58.31 58.15 2f3i n LYS 36 Cb 0.45 -4.62 0.00 0.00 -0.00 0.00 0.00 35.03 30.86 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2f3i s MET 37 N -5.36 3.40 -0.36 -1.58 -1.94 -1.26 -4.88 119.30 107.32 2f3i s MET 37 Ca 0.14 1.23 -0.02 0.00 -1.71 0.00 0.00 55.69 55.33 2f3i s MET 37 Cb -0.08 -2.04 0.08 0.00 2.01 0.00 0.00 34.83 34.80 2f3i s MET 37 CO 0.17 -0.75 0.10 0.34 -0.01 0.00 0.00 175.02 174.87 2f3i s ASP 38 N -2.66 5.06 0.01 3.03 2.15 -0.57 -4.04 116.67 119.65 2f3i s ASP 38 Ca 0.64 -1.71 0.04 0.00 0.43 0.00 0.00 52.55 51.95 2f3i s ASP 38 Cb -0.16 -1.76 -0.03 0.00 -0.30 0.00 0.00 42.92 40.66 2f3i s ASP 38 CO 0.34 -0.41 -0.09 -0.22 -0.17 0.00 0.00 175.17 174.62 2f3i s LEU 39 N 1.17 3.03 0.04 -1.34 2.96 -0.65 -1.30 118.68 122.58 2f3i s LEU 39 Ca 0.03 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2f3i s LEU 39 Cb -0.21 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2f3i s LEU 39 CO -0.03 0.28 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.55 2f3i s ILE 40 N -0.97 0.71 0.06 6.68 -1.09 0.62 -0.74 121.20 126.47 2f3i s ILE 40 Ca 0.16 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 2f3i s ILE 40 Cb -0.11 -0.70 -0.01 0.00 -1.58 0.00 0.00 42.46 40.05 2f3i s ILE 40 CO 0.07 -0.18 0.10 -0.76 -1.23 0.00 0.00 174.94 172.94 2f3i s LEU 41 N -1.21 1.82 -0.30 2.97 1.02 -0.50 -1.11 118.68 121.36 2f3i s LEU 41 Ca -0.04 -0.69 -0.01 0.00 0.02 0.00 0.00 54.13 53.40 2f3i s LEU 41 Cb -0.08 0.68 0.10 0.00 0.02 0.00 0.00 46.19 46.91 2f3i s LEU 41 CO 0.01 -0.62 0.10 -0.62 0.02 0.00 0.00 176.35 175.24 2f3i s ASP 42 N -2.60 3.87 0.30 2.29 2.15 0.28 -0.35 116.67 122.60 2f3i s ASP 42 Ca 0.02 -1.52 -0.03 0.00 0.43 0.00 0.00 52.55 51.45 2f3i s ASP 42 Cb 0.03 -0.77 -0.01 0.00 -0.30 0.00 0.00 42.92 41.88 2f3i s ASP 42 CO -0.08 -0.41 0.39 0.68 -0.17 0.00 0.00 175.17 175.58 2f3i s VAL 43 N 1.71 0.00 0.17 1.11 -7.23 -0.66 -1.83 120.40 113.67 2f3i s VAL 43 Ca 0.09 -1.69 -0.32 0.00 -1.81 0.00 0.00 61.98 58.24 2f3i s VAL 43 Cb -0.17 -2.52 -0.12 0.00 0.56 0.00 0.00 36.38 34.13 2f3i s VAL 43 CO -0.26 0.00 1.72 -3.20 -0.31 0.00 0.00 175.10 173.06 2f3i n ASN 44 N -1.05 3.77 -0.28 4.85 5.15 -1.26 -1.13 115.26 125.32 2f3i n ASN 44 Ca 0.02 1.05 0.03 0.00 -0.60 0.00 0.00 54.58 55.07 2f3i n ASN 44 Cb 0.62 -1.52 0.05 0.00 -0.53 0.00 0.00 39.78 38.40 2f3i n ASN 44 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2f3i n ILE 45 N 4.05 0.60 0.32 -1.44 -6.64 0.36 -4.70 119.36 111.91 2f3i n ILE 45 Ca 0.17 -0.80 0.12 0.00 -1.77 0.00 0.00 62.75 60.47 2f3i n ILE 45 Cb 0.34 0.75 0.54 0.00 -1.44 0.00 0.00 39.64 39.82 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 1.03 0.00 0.00 6.28 3.07 -1.92 0.21 115.11 123.78 2f3i h GLN 46 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2f3i h GLN 46 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 2f3i h GLN 46 CO 0.00 0.00 -0.12 0.82 0.09 0.00 0.00 178.83 179.62 2f3i h ILE 47 N 0.00 0.54 -2.31 1.86 2.04 -1.94 -3.35 117.51 114.34 2f3i h ILE 47 Ca 0.00 -0.54 -0.60 0.00 1.00 0.00 0.00 64.86 64.72 2f3i h ILE 47 Cb 0.26 1.36 -0.41 0.00 -0.74 0.00 0.00 36.82 37.28 2f3i h ILE 47 CO 0.00 0.11 -0.67 -1.22 0.00 0.00 0.00 178.15 176.38 2f3i n TYR 48 N -3.60 2.94 0.39 1.37 4.01 0.75 -4.89 117.16 118.12 2f3i n TYR 48 Ca -0.02 -4.08 0.09 0.00 -0.16 0.00 0.00 57.90 53.73 2f3i n TYR 48 Cb 0.24 -0.52 0.38 0.00 -0.31 0.00 0.00 39.34 39.14 2f3i n TYR 48 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2f3i n PRO 49 N 1.15 0.09 -4.09 -0.72 -0.04 -1.26 -4.73 135.00 125.40 2f3i n PRO 49 Ca 0.27 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2f3i n PRO 49 Cb 0.42 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 2f3i n PRO 49 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2f3i s VAL 50 N -3.18 0.00 -0.71 0.52 0.11 -1.26 -5.05 120.40 110.83 2f3i s VAL 50 Ca 0.04 -1.63 -0.23 0.00 -2.93 0.00 0.00 61.98 57.23 2f3i s VAL 50 Cb 0.08 -2.51 -0.17 0.00 -1.53 0.00 0.00 36.38 32.25 2f3i s VAL 50 CO 0.29 0.00 1.90 -0.67 -3.33 0.00 0.00 175.10 173.29 2f3i n ASP 51 N -1.00 2.41 0.25 3.54 2.03 -1.26 -4.71 116.55 117.81 2f3i n ASP 51 Ca 0.01 -2.67 0.11 0.00 0.52 0.00 0.00 54.79 52.76 2f3i n ASP 51 Cb 0.62 -1.07 0.67 0.00 -0.72 0.00 0.00 41.12 40.62 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 14.08 0.00 1.46 -2.67 5.85 -1.92 -3.47 115.31 128.64 2f3i h LEU 52 Ca 0.41 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.86 2f3i h LEU 52 Cb 0.67 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2f3i h LEU 52 CO 1.97 0.15 -0.31 0.61 -0.34 0.00 0.00 178.44 180.52 2f3i n GLY 53 N -0.71 0.37 3.78 3.75 0.00 -1.26 -5.03 105.19 106.09 2f3i n GLY 53 Ca -0.02 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.56 4.94 0.06 1.61 2.15 -1.26 -4.91 116.67 116.70 2f3i s ASP 54 Ca 0.00 1.87 0.02 0.00 0.43 0.00 0.00 52.55 54.87 2f3i s ASP 54 Cb 0.00 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2f3i s ASP 54 CO 0.00 -1.74 -0.07 -0.54 -0.17 0.00 0.00 175.17 172.64 2f3i s LYS 55 N -4.54 0.61 -0.06 4.34 1.02 -1.26 -4.23 119.74 115.62 2f3i s LYS 55 Ca 0.63 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.71 2f3i s LYS 55 Cb -0.18 -0.26 0.02 0.00 -0.52 0.00 0.00 37.83 36.89 2f3i s LYS 55 CO 0.49 0.03 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.83 2f3i s PHE 56 N -2.02 0.95 0.19 3.18 0.40 -0.67 -1.48 117.98 118.53 2f3i s PHE 56 Ca -0.04 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 2f3i s PHE 56 Cb -0.06 -0.82 -0.08 0.00 0.51 0.00 0.00 43.02 42.57 2f3i s PHE 56 CO -0.01 -0.26 1.24 0.50 0.70 0.00 0.00 175.22 177.39 2f3i s ARG 57 N 1.10 4.45 -0.01 0.44 3.52 0.66 -0.75 118.95 128.36 2f3i s ARG 57 Ca -0.08 1.95 0.02 0.00 -0.13 0.00 0.00 55.73 57.49 2f3i s ARG 57 Cb -0.14 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2f3i s ARG 57 CO -0.01 -0.16 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.09 2f3i s LEU 58 N -0.19 1.99 0.05 -0.88 0.20 0.23 -1.43 118.68 118.66 2f3i s LEU 58 Ca 0.54 -0.12 -0.00 0.00 0.69 0.00 0.00 54.13 55.24 2f3i s LEU 58 Cb -0.34 -0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 2f3i s LEU 58 CO 0.37 0.08 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.79 2f3i s VAL 59 N -0.13 0.29 -0.06 1.68 1.01 0.17 -1.10 120.40 122.27 2f3i s VAL 59 Ca 0.02 -1.66 0.09 0.00 0.00 0.00 0.00 61.98 60.43 2f3i s VAL 59 Cb -0.03 -1.31 0.13 0.00 0.00 0.00 0.00 36.38 35.17 2f3i s VAL 59 CO -0.00 -0.88 1.05 2.30 0.00 0.00 0.00 175.10 177.57 2f3i n ILE 60 N 0.37 1.32 1.36 2.22 -5.35 -1.05 -0.92 119.36 117.31 2f3i n ILE 60 Ca -0.16 -1.49 0.13 0.00 -0.27 0.00 0.00 62.75 60.97 2f3i n ILE 60 Cb 0.60 0.19 0.70 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.88 2.37 -0.69 -1.28 0.00 -1.26 -4.68 120.51 114.09 2f3i n ALA 61 Ca 0.07 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 2f3i n ALA 61 Cb 0.45 -1.44 0.25 0.00 0.00 0.00 0.00 19.45 18.72 2f3i n ALA 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2f3i s SER 62 N -2.44 0.67 0.07 0.00 1.04 -1.26 -4.58 113.70 107.20 2f3i s SER 62 Ca 0.29 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.68 2f3i s SER 62 Cb 0.18 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.62 2f3i s SER 62 CO 0.38 -4.34 0.40 -0.89 0.98 0.00 0.00 173.24 169.78 2f3i s THR 63 N -2.59 0.06 -1.19 2.02 2.01 -1.26 -4.45 115.64 110.25 2f3i s THR 63 Ca 0.68 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 2f3i s THR 63 Cb -0.19 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 2f3i s THR 63 CO 0.60 -0.28 1.89 -0.22 -0.69 0.00 0.00 174.62 175.92 2f3i s LEU 64 N -2.31 3.21 0.42 4.42 2.96 -1.26 -4.83 118.68 121.28 2f3i s LEU 64 Ca -0.02 -1.76 0.18 0.00 -0.22 0.00 0.00 54.13 52.31 2f3i s LEU 64 Cb 0.00 -2.59 1.09 0.00 0.50 0.00 0.00 46.19 45.20 2f3i s LEU 64 CO -0.06 -2.70 1.86 1.88 -1.32 0.00 0.00 176.35 176.01 2f3i h TYR 65 N 9.41 0.52 0.00 5.38 0.05 -1.98 -0.95 116.97 129.41 2f3i h TYR 65 Ca 0.25 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.05 2f3i h TYR 65 Cb 0.93 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.51 2f3i h TYR 65 CO 1.25 0.14 0.00 -0.85 -1.05 0.00 0.00 178.16 177.65 2f3i n GLU 66 N -4.50 0.17 0.27 4.88 0.28 -1.26 -1.70 120.64 118.77 2f3i n GLU 66 Ca 0.19 0.56 0.13 0.00 -0.16 0.00 0.00 57.16 57.87 2f3i n GLU 66 Cb 0.70 -1.95 0.76 0.00 1.43 0.00 0.00 31.44 32.37 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 0.00 0.00 0.00 -1.84 3.58 -1.52 -3.46 116.42 113.18 2f3i h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 67 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2f3i h ASP 67 CO 0.00 0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.07 2f3i n GLY 68 N -0.82 -0.51 0.29 -0.78 0.00 -0.69 -5.02 105.19 97.66 2f3i n GLY 68 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2f3i n GLY 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2f3i h THR 69 N 0.00 1.20 -3.41 2.61 2.02 -1.65 -3.34 112.91 110.33 2f3i h THR 69 Ca 0.00 -0.37 -0.59 0.00 0.77 0.00 0.00 66.41 66.22 2f3i h THR 69 Cb 0.00 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 66.42 2f3i h THR 69 CO 0.00 0.19 0.08 -0.76 0.37 0.00 0.00 175.52 175.40 2f3i s LEU 70 N -10.12 4.17 0.19 2.58 1.43 -1.11 -5.03 118.68 110.77 2f3i s LEU 70 Ca -0.13 0.84 -0.33 0.00 -1.03 0.00 0.00 54.13 53.48 2f3i s LEU 70 Cb 0.15 -2.87 -0.13 0.00 0.03 0.00 0.00 46.19 43.36 2f3i s LEU 70 CO 0.78 -0.23 1.56 -0.67 0.23 0.00 0.00 176.35 178.02 2f3i n ASP 71 N 4.82 3.16 -2.38 2.29 2.03 -1.26 -4.84 116.55 120.37 2f3i n ASP 71 Ca -0.02 1.09 -0.09 0.00 0.52 0.00 0.00 54.79 56.29 2f3i n ASP 71 Cb 0.50 -1.45 -0.08 0.00 -0.72 0.00 0.00 41.12 39.37 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 3.18 3.32 0.08 1.67 2.03 -1.26 -2.36 116.55 123.22 2f3i n ASP 72 Ca 0.15 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.36 2f3i n ASP 72 Cb 0.30 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 2.90 -1.19 1.98 0.27 0.00 -1.26 -4.91 105.19 102.97 2f3i n GLY 73 Ca 0.28 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.90 1.86 -0.54 1.61 4.07 -1.15 -4.74 120.64 118.84 2f3i n GLU 74 Ca 0.00 -1.08 -0.01 0.00 -0.06 0.00 0.00 57.16 56.01 2f3i n GLU 74 Cb 0.00 -1.80 -0.02 0.00 -0.06 0.00 0.00 31.44 29.56 2f3i n GLU 74 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2f3i n TYR 75 N 1.86 0.00 -2.11 4.31 9.36 -0.99 -4.35 117.16 125.24 2f3i n TYR 75 Ca 0.35 -1.03 -0.36 0.00 3.32 0.00 0.00 57.90 60.17 2f3i n TYR 75 Cb 0.75 -0.61 0.02 0.00 -0.63 0.00 0.00 39.34 38.86 2f3i n TYR 75 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f3i s ASN 76 N 2.00 5.49 0.53 2.98 6.03 -1.26 -4.93 114.94 125.78 2f3i s ASN 76 Ca 0.07 2.33 0.21 0.00 -1.03 0.00 0.00 52.86 54.44 2f3i s ASN 76 Cb 0.03 -2.60 1.34 0.00 -3.03 0.00 0.00 41.25 37.00 2f3i s ASN 76 CO 0.00 -1.39 2.08 -0.65 -2.03 0.00 0.00 177.10 175.11 2f3i h PRO 77 N 1.16 0.00 -3.98 3.55 0.11 -1.98 -3.34 132.00 127.53 2f3i h PRO 77 Ca -0.50 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.02 2f3i h PRO 77 Cb 1.28 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.41 2f3i h PRO 77 CO 0.56 0.00 2.69 0.25 -0.21 0.00 0.00 178.00 181.29 2f3i n THR 78 N -4.44 2.53 0.16 -1.15 -2.24 -1.26 -3.43 114.28 104.45 2f3i n THR 78 Ca 0.03 -1.92 0.18 0.00 -2.27 0.00 0.00 64.05 60.07 2f3i n THR 78 Cb 0.34 -2.35 0.79 0.00 -2.10 0.00 0.00 70.33 67.01 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 6.84 0.00 0.00 3.42 3.58 -1.70 -3.40 116.42 125.16 2f3i h ASP 79 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2f3i h ASP 79 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2f3i h ASP 79 CO 1.80 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 177.49 2f3i n ASP 80 N -3.82 -0.79 0.00 2.28 2.03 -1.26 -5.01 116.55 109.98 2f3i n ASP 80 Ca 0.04 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2f3i n ASP 80 Cb 0.44 0.89 0.00 0.00 -0.72 0.00 0.00 41.12 41.73 2f3i n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2f3i n ARG 81 N -3.12 3.23 -0.01 -0.67 5.12 -1.26 -4.90 116.66 115.05 2f3i n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2f3i n ARG 81 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2f3i n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2f3i n PRO 82 N 0.00 0.08 -0.16 5.56 -0.02 -1.26 -4.43 135.00 134.77 2f3i n PRO 82 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2f3i n PRO 82 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.17 1.97 0.00 2.55 7.64 -1.26 -4.52 113.62 121.17 2f3i n SER 83 Ca 0.00 -1.42 0.08 0.00 1.01 0.00 0.00 58.87 58.54 2f3i n SER 83 Cb 0.04 -0.41 0.38 0.00 -1.01 0.00 0.00 64.21 63.22 2f3i n SER 83 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f3i n ARG 84 N 1.61 0.13 0.00 1.43 1.74 -1.22 -4.04 116.66 116.31 2f3i n ARG 84 Ca 0.00 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2f3i n ARG 84 Cb 0.20 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2f3i n ALA 85 N -1.38 0.00 0.16 7.54 0.00 -1.26 -4.73 120.51 120.83 2f3i n ALA 85 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2f3i n ALA 85 Cb 0.16 -0.08 0.52 0.00 0.00 0.00 0.00 19.45 20.04 2f3i n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2f3i n ASP 86 N 0.00 0.49 0.27 0.00 2.03 -1.26 -1.21 116.55 116.88 2f3i n ASP 86 Ca 0.00 0.71 0.17 0.00 0.52 0.00 0.00 54.79 56.19 2f3i n ASP 86 Cb 0.00 -0.75 0.93 0.00 -0.72 0.00 0.00 41.12 40.57 2f3i n ASP 86 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2f3i h GLN 87 N 0.00 0.00 -6.10 -0.67 4.20 -1.88 -3.43 115.11 107.23 2f3i h GLN 87 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2f3i h GLN 87 Cb 0.12 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.74 2f3i h GLN 87 CO 0.00 0.00 -0.77 -0.06 -0.67 0.00 0.00 178.83 177.33 2f3i s PHE 88 N -3.90 2.09 -0.13 2.96 0.40 -0.35 -5.05 117.98 114.01 2f3i s PHE 88 Ca -0.04 -0.41 0.16 0.00 -0.60 0.00 0.00 56.93 56.04 2f3i s PHE 88 Cb 0.10 -0.96 0.18 0.00 0.51 0.00 0.00 43.02 42.84 2f3i s PHE 88 CO 0.31 0.54 1.50 0.93 0.70 0.00 0.00 175.22 179.20 2f3i h GLU 89 N 2.66 0.00 -3.19 0.44 5.08 -1.52 -3.46 114.58 114.58 2f3i h GLU 89 Ca -0.41 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.82 2f3i h GLU 89 Cb 1.23 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.27 2f3i h GLU 89 CO 0.57 0.46 -0.37 -0.47 -1.00 0.00 0.00 179.01 178.20 2f3i s TYR 90 N -3.06 -0.13 -0.05 4.33 5.04 -0.47 -5.02 117.35 117.99 2f3i s TYR 90 Ca 0.04 0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.80 2f3i s TYR 90 Cb 0.08 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.46 2f3i s TYR 90 CO 0.73 -0.31 0.21 0.54 -1.34 0.00 0.00 175.55 175.38 2f3i s VAL 91 N -1.09 0.03 0.28 3.14 0.11 -1.26 -0.73 120.40 120.88 2f3i s VAL 91 Ca -0.12 -0.23 -0.19 0.00 -2.93 0.00 0.00 61.98 58.52 2f3i s VAL 91 Cb -0.05 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2f3i s VAL 91 CO 0.03 -0.13 0.66 -0.32 -3.33 0.00 0.00 175.10 172.01 2f3i s MET 92 N -0.43 1.75 0.07 1.54 0.00 -0.12 -4.98 119.30 117.13 2f3i s MET 92 Ca -0.05 -1.08 0.02 0.00 0.00 0.00 0.00 55.69 54.57 2f3i s MET 92 Cb -0.03 0.57 -0.03 0.00 0.00 0.00 0.00 34.83 35.34 2f3i s MET 92 CO 0.01 -0.79 -0.07 0.71 0.00 0.00 0.00 175.02 174.88 2f3i s TYR 93 N -3.87 0.75 0.00 4.11 2.02 -1.25 -1.28 117.35 117.84 2f3i s TYR 93 Ca 0.14 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 2f3i s TYR 93 Cb -0.05 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 41.07 2f3i s TYR 93 CO 0.08 -0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 2f3i n GLY 94 N 0.80 3.05 3.07 0.71 0.00 -0.75 -3.09 105.19 108.97 2f3i n GLY 94 Ca -0.18 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 1.70 0.20 0.11 1.61 2.20 0.12 -4.80 119.74 120.88 2f3i s LYS 95 Ca 0.00 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 2f3i s LYS 95 Cb 0.00 -0.04 -0.06 0.00 -1.51 0.00 0.00 37.83 36.22 2f3i s LYS 95 CO 0.00 -0.23 1.05 0.08 -0.36 0.00 0.00 175.35 175.89 2f3i s VAL 96 N 1.91 4.26 -0.40 4.02 1.01 -1.12 -1.67 120.40 128.42 2f3i s VAL 96 Ca -0.04 1.82 0.08 0.00 0.00 0.00 0.00 61.98 63.84 2f3i s VAL 96 Cb -0.11 -4.17 0.24 0.00 0.00 0.00 0.00 36.38 32.35 2f3i s VAL 96 CO -0.09 0.25 0.53 0.00 0.00 0.00 0.00 175.10 175.79 2f3i n TYR 97 N 2.96 -0.60 -3.93 5.22 9.36 0.18 -4.91 117.16 125.45 2f3i n TYR 97 Ca 0.04 -3.43 -0.09 0.00 3.32 0.00 0.00 57.90 57.74 2f3i n TYR 97 Cb 0.48 -0.19 -0.02 0.00 -0.63 0.00 0.00 39.34 38.97 2f3i n TYR 97 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2f3i s ARG 98 N -0.98 1.82 0.88 2.98 6.06 -1.26 -4.26 118.95 124.18 2f3i s ARG 98 Ca 0.35 -1.28 -0.15 0.00 -2.50 0.00 0.00 55.73 52.15 2f3i s ARG 98 Cb 0.16 0.54 0.21 0.00 0.06 0.00 0.00 34.95 35.93 2f3i s ARG 98 CO -0.12 -0.80 0.93 0.44 -2.50 0.00 0.00 175.30 173.24 2f3i n ILE 99 N -0.46 0.00 0.30 4.11 -5.35 -1.26 -4.95 119.36 111.75 2f3i n ILE 99 Ca -0.03 -0.53 0.10 0.00 -0.27 0.00 0.00 62.75 62.01 2f3i n ILE 99 Cb 0.61 -1.36 0.45 0.00 -1.74 0.00 0.00 39.64 37.59 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 -3.73 0.13 0.00 6.28 0.28 -1.26 -4.72 120.64 117.62 2f3i n GLU 100 Ca 0.12 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 2f3i n GLU 100 Cb 0.45 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.51 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 -0.56 2.46 3.62 -1.84 0.00 -1.26 -4.89 105.19 102.71 2f3i n GLY 101 Ca 0.01 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.06 6.16 0.00 1.61 2.15 -1.26 -4.50 116.67 120.77 2f3i s ASP 102 Ca 0.00 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.70 2f3i s ASP 102 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2f3i s ASP 102 CO 0.00 -1.42 0.50 1.21 -0.17 0.00 0.00 175.17 175.29 2f3i n GLU 103 N 7.95 0.42 0.00 4.34 2.13 -1.26 -4.91 120.64 129.30 2f3i n GLU 103 Ca 0.21 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.41 2f3i n GLU 103 Cb 0.45 -0.78 0.00 0.00 0.27 0.00 0.00 31.44 31.38 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 -0.12 0.00 0.00 6.31 -2.24 -1.26 -4.95 114.28 112.01 2f3i n THR 104 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2f3i n THR 104 Cb 0.22 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.07 0.00 0.00 3.42 7.64 -1.26 -4.98 113.62 116.36 2f3i n SER 105 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2f3i n SER 105 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.14 0.44 -2.24 -1.26 -4.85 114.28 106.51 2f3i n THR 106 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 2f3i n THR 106 Cb 0.00 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.00 -0.78 4.39 -1.99 -2.27 114.58 113.93 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 0.00 -0.18 0.00 -1.16 0.00 0.00 179.01 177.67 2f3i n ALA 108 N -2.40 1.41 0.68 3.43 0.00 -1.26 -4.87 120.51 117.50 2f3i n ALA 108 Ca 0.04 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 52.94 2f3i n ALA 108 Cb 0.44 -0.18 0.39 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 1.84 1.61 0.00 0.00 -0.85 -3.67 120.51 119.44 2f3i n ALA 109 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.52 2f3i n ALA 109 Cb 0.57 -1.27 0.78 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.38 0.00 -4.75 0.00 -2.24 -1.26 -4.22 114.28 100.43 2f3i n THR 110 Ca 0.06 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 2f3i n THR 110 Cb 0.16 -0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.34 1.34 0.39 -0.78 3.00 -1.24 -4.58 118.95 114.73 2f3i s ARG 111 Ca 0.35 -0.66 -0.25 0.00 0.00 0.00 0.00 55.73 55.17 2f3i s ARG 111 Cb 0.21 -1.32 -0.09 0.00 0.00 0.00 0.00 34.95 33.75 2f3i s ARG 111 CO 0.43 0.36 1.10 -1.17 0.00 0.00 0.00 175.30 176.02 2f3i s LEU 112 N -0.55 4.21 -0.04 2.53 2.96 0.69 -4.63 118.68 123.85 2f3i s LEU 112 Ca 0.06 2.19 0.02 0.00 -0.22 0.00 0.00 54.13 56.18 2f3i s LEU 112 Cb -0.07 -4.05 -0.03 0.00 0.50 0.00 0.00 46.19 42.54 2f3i s LEU 112 CO -0.00 -0.53 -0.06 -0.94 -1.32 0.00 0.00 176.35 173.50 2f3i s SER 113 N -1.30 4.70 0.02 3.68 1.04 -1.26 -1.91 113.70 118.67 2f3i s SER 113 Ca 0.56 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 2f3i s SER 113 Cb -0.27 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.68 2f3i s SER 113 CO 0.34 0.33 0.06 0.00 0.98 0.00 0.00 173.24 174.95 2f3i s ALA 114 N -0.90 -0.04 0.01 5.32 0.00 0.37 -4.47 121.76 122.06 2f3i s ALA 114 Ca 0.15 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2f3i s ALA 114 Cb -0.11 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2f3i s ALA 114 CO 0.04 -0.25 -0.08 0.71 0.00 0.00 0.00 175.76 176.19 2f3i s TYR 115 N -2.07 0.69 -0.13 0.00 1.51 -1.26 -0.35 117.35 115.74 2f3i s TYR 115 Ca -0.10 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 2f3i s TYR 115 Cb -0.05 -0.43 0.04 0.00 -0.11 0.00 0.00 41.96 41.41 2f3i s TYR 115 CO -0.02 -0.02 -0.01 0.08 -1.11 0.00 0.00 175.55 174.46 2f3i s VAL 116 N -0.58 0.66 -0.17 0.71 1.01 -0.51 -0.65 120.40 120.88 2f3i s VAL 116 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 2f3i s VAL 116 Cb -0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2f3i s VAL 116 CO 0.00 0.13 0.27 -0.94 0.00 0.00 0.00 175.10 174.56 2f3i s SER 117 N 1.84 6.40 -0.19 3.32 1.04 -0.67 -0.74 113.70 124.70 2f3i s SER 117 Ca 0.03 0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.84 2f3i s SER 117 Cb -0.14 -2.17 0.08 0.00 0.10 0.00 0.00 66.02 63.89 2f3i s SER 117 CO -0.07 0.11 0.42 -0.72 0.98 0.00 0.00 173.24 173.96 2f3i s TYR 118 N 0.47 -0.73 -1.23 5.02 1.13 -0.22 -0.70 117.35 121.09 2f3i s TYR 118 Ca 0.15 1.45 0.00 0.00 -1.41 0.00 0.00 57.07 57.26 2f3i s TYR 118 Cb -0.13 0.29 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 2f3i s TYR 118 CO 0.03 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.04 2f3i n GLY 119 N 4.98 -0.08 2.66 5.49 0.00 -1.18 -0.72 105.19 116.35 2f3i n GLY 119 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.70 1.01 4.01 -0.02 0.00 -1.26 -5.04 105.19 103.19 2f3i n GLY 120 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 3.55 0.05 0.99 1.43 0.11 -5.08 118.68 119.72 2f3i s LEU 121 Ca 0.00 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2f3i s LEU 121 Cb 0.00 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2f3i s LEU 121 CO 0.00 -0.87 -0.03 -0.22 0.23 0.00 0.00 176.35 175.45 2f3i s LEU 122 N -4.44 2.43 0.07 1.79 2.96 -0.76 -1.05 118.68 119.69 2f3i s LEU 122 Ca 0.56 -0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 2f3i s LEU 122 Cb -0.10 0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.72 2f3i s LEU 122 CO 0.34 -0.51 0.09 -0.04 -1.32 0.00 0.00 176.35 174.91 2f3i s MET 123 N -3.34 0.75 -0.01 1.98 -1.94 0.08 -0.56 119.30 116.26 2f3i s MET 123 Ca 0.02 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 52.92 2f3i s MET 123 Cb 0.04 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.16 2f3i s MET 123 CO -0.07 -0.20 -0.06 0.50 -0.01 0.00 0.00 175.02 175.18 2f3i s ARG 124 N -3.90 0.58 -0.11 2.03 3.52 -0.27 -1.43 118.95 119.37 2f3i s ARG 124 Ca 0.07 -0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 55.39 2f3i s ARG 124 Cb 0.06 -0.57 0.03 0.00 -1.56 0.00 0.00 34.95 32.91 2f3i s ARG 124 CO -0.10 0.08 0.29 -1.17 -0.81 0.00 0.00 175.30 173.59 2f3i s LEU 125 N 0.13 0.74 0.03 -0.88 2.96 0.53 -0.28 118.68 121.91 2f3i s LEU 125 Ca -0.01 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.54 2f3i s LEU 125 Cb -0.06 0.96 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 2f3i s LEU 125 CO -0.00 -0.12 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.65 2f3i s GLN 126 N 0.46 1.10 -0.06 1.98 -0.21 -0.42 -0.48 119.66 122.03 2f3i s GLN 126 Ca -0.03 -0.75 -0.32 0.00 0.02 0.00 0.00 55.36 54.29 2f3i s GLN 126 Cb -0.04 -1.12 0.13 0.00 1.00 0.00 0.00 33.01 32.98 2f3i s GLN 126 CO -0.02 0.29 1.37 0.20 -2.12 0.00 0.00 175.29 175.00 2f3i s GLY 127 N -0.98 -0.46 0.21 3.09 0.00 -0.80 -1.52 107.32 106.87 2f3i s GLY 127 Ca 0.04 0.82 -0.32 0.00 0.00 0.00 0.00 44.72 45.26 2f3i s GLY 127 CO 0.01 0.29 1.33 1.34 0.00 0.00 0.00 173.10 176.07 2f3i n ASP 128 N -0.51 2.27 -0.11 1.64 -0.08 -1.26 -0.22 116.55 118.28 2f3i n ASP 128 Ca -0.09 1.14 -0.13 0.00 -1.51 0.00 0.00 54.79 54.21 2f3i n ASP 128 Cb 0.63 -1.35 -0.08 0.00 2.34 0.00 0.00 41.12 42.66 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 3.96 -0.66 -0.53 -1.67 0.00 -1.88 0.17 119.26 118.65 2f3i h ALA 129 Ca -0.44 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2f3i h ALA 129 Cb 1.30 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.07 2f3i h ALA 129 CO 0.74 -0.99 0.30 -0.97 0.00 0.00 0.00 179.25 178.33 2f3i h ASN 130 N -0.40 0.46 0.07 0.00 -1.24 -1.99 -0.68 115.58 111.80 2f3i h ASN 130 Ca 0.09 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2f3i h ASN 130 Cb 0.61 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 2f3i h ASN 130 CO -0.57 0.32 -0.04 -1.13 -1.29 0.00 0.00 177.43 174.72 2f3i h ASN 131 N 0.58 0.00 1.50 1.15 -1.24 -1.74 -1.80 115.58 114.03 2f3i h ASN 131 Ca 0.22 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.14 2f3i h ASN 131 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 2f3i h ASN 131 CO -0.13 0.04 -0.51 0.25 -1.29 0.00 0.00 177.43 175.79 2f3i h LEU 132 N 0.00 0.00 2.62 0.34 6.46 0.89 -3.48 115.31 122.15 2f3i h LEU 132 Ca -0.00 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.46 2f3i h LEU 132 Cb 0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2f3i h LEU 132 CO 0.01 0.42 -0.39 1.57 -0.62 0.00 0.00 178.44 179.42 2f3i n HIS 133 N -3.17 -1.31 -0.27 1.25 -0.00 -0.68 -4.88 115.22 106.16 2f3i n HIS 133 Ca 0.01 0.02 0.09 0.00 -0.00 0.00 0.00 57.72 57.85 2f3i n HIS 133 Cb 0.71 -3.17 0.26 0.00 -0.00 0.00 0.00 29.99 27.79 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 -0.89 2.55 0.00 1.57 0.00 -1.26 -4.36 105.19 102.80 2f3i n GLY 134 Ca -0.17 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 1.22 0.00 -3.47 1.61 1.16 -1.26 -4.28 117.46 112.43 2f3i n PHE 135 Ca 0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.58 2f3i n PHE 135 Cb 0.55 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.29 2f3i n PHE 135 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2f3i s GLU 136 N -2.00 0.22 0.00 3.97 2.56 -1.26 -5.02 118.70 117.17 2f3i s GLU 136 Ca 0.06 0.05 0.04 0.00 0.00 0.00 0.00 54.97 55.12 2f3i s GLU 136 Cb 0.03 -1.07 0.21 0.00 2.00 0.00 0.00 34.13 35.30 2f3i s GLU 136 CO 0.05 -0.79 1.06 1.33 -0.56 0.00 0.00 175.26 176.36 2f3i n VAL 137 N 5.31 1.36 -1.05 3.70 0.24 -1.26 -1.30 118.33 125.33 2f3i n VAL 137 Ca -0.05 0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.67 2f3i n VAL 137 Cb 0.48 -1.26 0.11 0.00 -1.47 0.00 0.00 33.84 31.70 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2f3i n ASP 138 N -1.40 2.07 0.00 -1.34 5.75 -1.26 -2.78 116.55 117.60 2f3i n ASP 138 Ca 0.02 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 2f3i n ASP 138 Cb 0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 -1.20 0.00 -0.07 -1.12 7.64 -0.42 -0.92 113.62 117.53 2f3i n SER 139 Ca 0.13 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2f3i n SER 139 Cb 0.61 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.19 0.78 -0.10 1.43 1.85 -1.26 -1.95 116.66 115.22 2f3i n ARG 140 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 2f3i n ARG 140 Cb 0.00 -1.06 0.15 0.00 -1.05 0.00 0.00 32.46 30.50 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 1.25 -3.36 8.89 -1.51 -1.82 -3.42 116.25 116.28 2f3i h VAL 141 Ca 0.00 -1.06 -0.54 0.00 -1.23 0.00 0.00 66.70 63.88 2f3i h VAL 141 Cb 0.06 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2f3i h VAL 141 CO 0.00 0.37 0.43 -0.31 -1.23 0.00 0.00 177.57 176.83 2f3i s TYR 142 N -4.92 3.60 -0.01 5.19 2.02 -0.82 -1.81 117.35 120.59 2f3i s TYR 142 Ca -0.09 1.58 -0.02 0.00 -0.37 0.00 0.00 57.07 58.17 2f3i s TYR 142 Cb 0.14 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 2f3i s TYR 142 CO 0.81 -0.40 0.04 -1.17 -1.57 0.00 0.00 175.55 173.26 2f3i s LEU 143 N 0.92 1.88 -0.10 -1.29 0.20 -0.40 -4.41 118.68 115.47 2f3i s LEU 143 Ca 0.54 -0.01 -0.05 0.00 0.69 0.00 0.00 54.13 55.29 2f3i s LEU 143 Cb -0.24 0.17 0.05 0.00 -0.43 0.00 0.00 46.19 45.74 2f3i s LEU 143 CO 0.29 -0.07 0.23 -0.22 -0.29 0.00 0.00 176.35 176.29 2f3i s LEU 144 N -0.26 0.29 -0.02 -0.68 2.96 -0.10 -0.94 118.68 119.93 2f3i s LEU 144 Ca -0.03 0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 2f3i s LEU 144 Cb -0.02 0.67 0.00 0.00 0.50 0.00 0.00 46.19 47.34 2f3i s LEU 144 CO -0.00 -0.18 0.12 -0.32 -1.32 0.00 0.00 176.35 174.65 2f3i s MET 145 N 1.51 0.34 0.19 1.98 1.75 0.09 -0.65 119.30 124.51 2f3i s MET 145 Ca -0.07 -0.19 -0.13 0.00 -1.25 0.00 0.00 55.69 54.05 2f3i s MET 145 Cb -0.11 0.14 0.01 0.00 2.84 0.00 0.00 34.83 37.71 2f3i s MET 145 CO -0.08 -0.07 0.42 0.21 -0.65 0.00 0.00 175.02 174.85 2f3i s LYS 146 N -0.82 1.33 1.13 4.11 2.20 -0.51 -1.36 119.74 125.81 2f3i s LYS 146 Ca -0.09 -1.07 -0.17 0.00 -0.36 0.00 0.00 55.97 54.28 2f3i s LYS 146 Cb -0.05 0.45 0.16 0.00 -1.51 0.00 0.00 37.83 36.88 2f3i s LYS 146 CO 0.01 -0.53 0.33 0.36 -0.36 0.00 0.00 175.35 175.15 2f3i n LYS 147 N -0.30 -1.81 -0.92 4.03 2.85 -1.26 -0.25 118.16 120.50 2f3i n LYS 147 Ca -0.07 -0.51 -0.34 0.00 -1.05 0.00 0.00 58.31 56.34 2f3i n LYS 147 Cb 0.62 -1.85 0.09 0.00 -0.65 0.00 0.00 35.03 33.25 2f3i n LYS 147 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2f3i n LEU 148 N -2.66 -1.55 -3.75 -5.58 -0.00 -0.55 -3.25 117.00 99.66 2f3i n LEU 148 Ca 0.02 0.34 -0.14 0.00 -0.00 0.00 0.00 56.01 56.23 2f3i n LEU 148 Cb 0.59 -1.09 -0.14 0.00 -0.00 0.00 0.00 43.42 42.78 2f3i n LEU 148 CO 0.53 -4.17 -0.22 0.00 -0.00 0.00 0.00 177.39 173.53 2f3i s ALA 149 N -2.22 -0.27 0.00 1.47 0.00 -1.26 -4.87 121.76 114.61 2f3i s ALA 149 Ca 0.54 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2f3i s ALA 149 Cb -0.23 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2f3i s ALA 149 CO 0.70 -0.16 0.00 1.97 0.00 0.00 0.00 175.76 178.27