#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 1.50 0.00 3.17 0.00 -1.26 -5.01 121.76 120.16 2f3i s ALA 2 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2f3i s ALA 2 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2f3i s ALA 2 CO 0.00 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 173.72 2f3i n GLY 3 N -0.63 -0.83 3.65 0.00 0.00 -1.13 -4.80 105.19 101.46 2f3i n GLY 3 Ca 0.08 -1.01 -0.49 0.00 0.00 0.00 0.00 46.02 44.60 2f3i n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2f3i n ILE 4 N 6.24 0.15 0.18 -0.61 0.13 -1.24 -4.36 119.36 119.85 2f3i n ILE 4 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 2f3i n ILE 4 Cb 0.00 -1.37 0.00 0.00 -0.84 0.00 0.00 39.64 37.43 2f3i n ILE 4 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 2f3i n LEU 5 N 4.03 -2.40 -3.72 9.51 -0.00 -1.26 -4.99 117.00 118.17 2f3i n LEU 5 Ca 0.20 0.66 -0.13 0.00 -0.00 0.00 0.00 56.01 56.73 2f3i n LEU 5 Cb 0.24 2.35 -0.10 0.00 -0.00 0.00 0.00 43.42 45.91 2f3i n LEU 5 CO 0.67 -0.15 0.11 0.12 -0.00 0.00 0.00 177.39 178.14 2f3i s PHE 6 N -1.83 -0.46 -0.25 1.96 5.36 -1.26 -4.95 117.98 116.55 2f3i s PHE 6 Ca 0.00 1.10 -0.21 0.00 -0.96 0.00 0.00 56.93 56.86 2f3i s PHE 6 Cb 0.00 0.16 0.07 0.00 -0.34 0.00 0.00 43.02 42.91 2f3i s PHE 6 CO 0.00 -0.24 0.65 -2.00 -1.46 0.00 0.00 175.22 172.16 2f3i s GLU 7 N 0.10 0.74 0.11 10.12 2.12 -1.26 -1.35 118.70 129.28 2f3i s GLU 7 Ca -0.01 0.94 -0.24 0.00 0.36 0.00 0.00 54.97 56.02 2f3i s GLU 7 Cb -0.03 0.32 0.07 0.00 0.26 0.00 0.00 34.13 34.75 2f3i s GLU 7 CO 0.01 -0.10 0.61 0.34 -0.54 0.00 0.00 175.26 175.57 2f3i s ASP 8 N 0.56 -0.57 0.50 -1.70 2.15 -0.59 -5.01 116.67 112.01 2f3i s ASP 8 Ca -0.02 0.16 -0.18 0.00 0.43 0.00 0.00 52.55 52.95 2f3i s ASP 8 Cb -0.05 0.58 -0.08 0.00 -0.30 0.00 0.00 42.92 43.07 2f3i s ASP 8 CO -0.02 -0.87 0.99 -0.63 -0.17 0.00 0.00 175.17 174.46 2f3i s ILE 9 N -3.11 4.42 0.06 4.11 1.09 -1.26 -1.49 121.20 125.02 2f3i s ILE 9 Ca -0.02 1.24 0.03 0.00 -1.10 0.00 0.00 60.65 60.80 2f3i s ILE 9 Cb -0.01 -3.66 -0.03 0.00 -1.06 0.00 0.00 42.46 37.71 2f3i s ILE 9 CO -0.07 -0.58 -0.10 -0.36 -0.10 0.00 0.00 174.94 173.73 2f3i s PHE 10 N -2.50 0.87 -0.16 3.97 0.40 0.39 -0.48 117.98 120.48 2f3i s PHE 10 Ca 0.60 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 2f3i s PHE 10 Cb -0.10 -0.50 0.02 0.00 0.51 0.00 0.00 43.02 42.94 2f3i s PHE 10 CO 0.28 -0.04 -0.21 0.34 0.70 0.00 0.00 175.22 176.29 2f3i s ASP 11 N -1.80 3.11 -0.21 1.36 2.15 0.04 -1.54 116.67 119.79 2f3i s ASP 11 Ca -0.05 -0.63 -0.29 0.00 0.43 0.00 0.00 52.55 52.01 2f3i s ASP 11 Cb -0.08 -1.46 -0.02 0.00 -0.30 0.00 0.00 42.92 41.06 2f3i s ASP 11 CO 0.01 0.04 1.49 -0.69 -0.17 0.00 0.00 175.17 175.85 2f3i s VAL 12 N 1.06 3.88 -0.07 1.11 1.01 -0.31 -1.45 120.40 125.62 2f3i s VAL 12 Ca -0.01 1.01 0.08 0.00 0.00 0.00 0.00 61.98 63.06 2f3i s VAL 12 Cb -0.14 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.18 2f3i s VAL 12 CO -0.08 -0.28 0.54 0.29 0.00 0.00 0.00 175.10 175.58 2f3i n LYS 13 N 7.34 0.67 -3.81 2.72 4.76 0.10 -4.87 118.16 125.07 2f3i n LYS 13 Ca 0.17 0.27 -0.09 0.00 -2.87 0.00 0.00 58.31 55.79 2f3i n LYS 13 Cb 0.45 -1.75 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 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 -6.31 -0.26 0.00 4.39 2.15 -0.61 -4.98 116.67 111.07 2f3i s ASP 14 Ca -0.10 -0.57 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 2f3i s ASP 14 Cb 0.08 0.64 -0.01 0.00 -0.30 0.00 0.00 42.92 43.33 2f3i s ASP 14 CO 0.81 -1.18 0.04 -0.63 -0.17 0.00 0.00 175.17 174.03 2f3i s ILE 15 N -3.91 0.07 -0.19 4.11 1.09 -1.26 -1.20 121.20 119.91 2f3i s ILE 15 Ca 0.12 -0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 59.08 2f3i s ILE 15 Cb -0.03 -0.24 0.06 0.00 -1.06 0.00 0.00 42.46 41.20 2f3i s ILE 15 CO 0.02 -0.30 0.06 -0.62 -0.10 0.00 0.00 174.94 174.00 2f3i s ASP 16 N -0.93 2.80 -0.20 3.58 2.15 0.25 -4.97 116.67 119.35 2f3i s ASP 16 Ca -0.10 -0.80 0.13 0.00 0.43 0.00 0.00 52.55 52.20 2f3i s ASP 16 Cb -0.06 -0.49 0.41 0.00 -0.30 0.00 0.00 42.92 42.48 2f3i s ASP 16 CO -0.00 -0.33 1.26 -0.81 -0.17 0.00 0.00 175.17 175.12 2f3i n PRO 17 N 5.12 1.64 0.32 4.34 -0.04 -1.26 -1.25 135.00 143.88 2f3i n PRO 17 Ca -0.08 -3.07 0.22 0.00 -0.04 0.00 0.00 63.50 60.52 2f3i n PRO 17 Cb 0.47 -1.64 1.12 0.00 -0.04 0.00 0.00 33.50 33.41 2f3i n PRO 17 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2f3i h GLU 18 N 0.80 0.00 0.00 0.54 5.08 -1.96 -3.33 114.58 115.70 2f3i h GLU 18 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2f3i h GLU 18 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2f3i h GLU 18 CO 0.09 0.00 -0.02 0.41 -1.00 0.00 0.00 179.01 178.49 2f3i n GLY 19 N -0.92 -0.62 3.65 -3.84 0.00 -1.26 -5.12 105.19 97.08 2f3i n GLY 19 Ca -0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 4.00 0.40 1.61 3.01 -1.25 -4.86 119.74 122.65 2f3i s LYS 20 Ca 0.00 2.09 0.24 0.00 -1.01 0.00 0.00 55.97 57.29 2f3i s LYS 20 Cb 0.02 -4.04 1.33 0.00 -1.01 0.00 0.00 37.83 34.12 2f3i s LYS 20 CO -0.00 -1.06 1.61 0.87 0.51 0.00 0.00 175.35 177.28 2f3i h LYS 21 N 10.34 0.10 -4.71 1.68 1.79 -1.97 -2.88 116.57 120.92 2f3i h LYS 21 Ca -0.39 -0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.40 2f3i h LYS 21 Cb 1.18 -0.02 -0.37 0.00 -1.58 0.00 0.00 32.23 31.44 2f3i h LYS 21 CO 0.97 0.07 -0.70 -0.06 -1.08 0.00 0.00 179.45 178.64 2f3i s PHE 22 N -5.45 3.53 0.46 -1.35 0.40 -1.26 -5.02 117.98 109.30 2f3i s PHE 22 Ca -0.09 -2.54 0.27 0.00 -0.60 0.00 0.00 56.93 53.98 2f3i s PHE 22 Cb 0.31 -2.61 1.52 0.00 0.51 0.00 0.00 43.02 42.76 2f3i s PHE 22 CO 0.80 -0.91 2.12 0.22 0.70 0.00 0.00 175.22 178.14 2f3i h ASP 23 N 7.80 0.00 0.52 1.36 3.58 -1.92 0.20 116.42 127.96 2f3i h ASP 23 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2f3i h ASP 23 Cb 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2f3i h ASP 23 CO 0.54 0.09 0.00 0.08 -2.88 0.00 0.00 179.24 177.07 2f3i h ARG 24 N 0.00 0.00 -5.65 0.28 0.11 -1.95 -3.41 114.38 103.76 2f3i h ARG 24 Ca -0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2f3i h ARG 24 Cb 0.25 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.25 2f3i h ARG 24 CO 0.01 0.00 -0.40 0.08 0.10 0.00 0.00 179.97 179.76 2f3i s VAL 25 N -3.59 5.37 0.03 0.08 1.01 0.06 -0.33 120.40 123.02 2f3i s VAL 25 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2f3i s VAL 25 Cb 0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2f3i s VAL 25 CO 0.39 0.56 -0.05 -0.44 0.00 0.00 0.00 175.10 175.55 2f3i s SER 26 N -0.65 0.50 0.32 3.32 0.01 -0.15 -4.81 113.70 112.24 2f3i s SER 26 Ca 0.16 -0.52 -0.27 0.00 1.31 0.00 0.00 55.95 56.64 2f3i s SER 26 Cb -0.13 0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.08 2f3i s SER 26 CO 0.05 -0.26 0.96 -0.60 0.41 0.00 0.00 173.24 173.81 2f3i s ARG 27 N -1.50 4.58 0.10 12.44 3.52 -0.38 -1.55 118.95 136.17 2f3i s ARG 27 Ca -0.13 1.40 0.02 0.00 -0.13 0.00 0.00 55.73 56.89 2f3i s ARG 27 Cb -0.10 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2f3i s ARG 27 CO -0.00 0.27 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.17 2f3i s LEU 28 N -1.96 2.48 -0.05 -0.88 1.43 0.14 -0.58 118.68 119.26 2f3i s LEU 28 Ca 0.49 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2f3i s LEU 28 Cb -0.21 -0.12 0.01 0.00 0.03 0.00 0.00 46.19 45.91 2f3i s LEU 28 CO 0.26 -0.41 -0.10 -2.28 0.23 0.00 0.00 176.35 174.05 2f3i s HIS 29 N -3.30 1.18 0.20 0.29 5.65 -0.34 -1.13 115.29 117.84 2f3i s HIS 29 Ca 0.10 -0.39 -0.00 0.00 0.25 0.00 0.00 55.06 55.01 2f3i s HIS 29 Cb 0.03 -0.90 -0.04 0.00 -1.18 0.00 0.00 32.58 30.49 2f3i s HIS 29 CO -0.03 -0.22 0.10 0.00 -0.65 0.00 0.00 174.74 173.93 2f3i s GLU 31 N -4.09 0.46 0.57 0.00 2.12 -0.53 -1.46 118.70 115.76 2f3i s GLU 31 Ca 0.35 -0.11 -0.19 0.00 0.36 0.00 0.00 54.97 55.37 2f3i s GLU 31 Cb 0.07 -0.49 -0.05 0.00 0.26 0.00 0.00 34.13 33.92 2f3i s GLU 31 CO 0.10 0.02 1.19 -1.54 -0.54 0.00 0.00 175.26 174.49 2f3i s SER 32 N 0.32 5.41 0.29 -1.70 1.04 -0.98 -0.78 113.70 117.30 2f3i s SER 32 Ca -0.03 2.35 0.03 0.00 0.48 0.00 0.00 55.95 58.77 2f3i s SER 32 Cb -0.07 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.89 2f3i s SER 32 CO -0.00 -1.44 1.73 -0.08 0.98 0.00 0.00 173.24 174.43 2f3i h GLU 33 N 1.09 0.47 0.00 4.02 4.57 -1.13 -3.41 114.58 120.19 2f3i h GLU 33 Ca -0.50 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 2f3i h GLU 33 Cb 1.28 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2f3i h GLU 33 CO 0.56 0.68 -0.17 0.43 -1.18 0.00 0.00 179.01 179.33 2f3i n SER 34 N -4.13 0.78 -0.59 1.04 7.64 -1.26 -4.89 113.62 112.21 2f3i n SER 34 Ca -0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2f3i n SER 34 Cb 0.39 0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.00 0.28 -2.01 1.43 3.01 -1.26 -4.89 117.46 113.03 2f3i n PHE 35 Ca 0.00 -0.10 -0.04 0.00 1.01 0.00 0.00 57.45 58.32 2f3i n PHE 35 Cb 0.08 -0.12 -0.01 0.00 -0.01 0.00 0.00 39.48 39.42 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2f3i n LYS 36 N 0.03 -2.18 -2.64 -1.08 2.85 -1.26 -4.86 118.16 109.03 2f3i n LYS 36 Ca 0.04 0.21 -0.43 0.00 -1.05 0.00 0.00 58.31 57.08 2f3i n LYS 36 Cb 0.32 -4.58 -0.02 0.00 -0.65 0.00 0.00 35.03 30.10 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2f3i s MET 37 N -4.09 4.03 -0.05 -1.58 -1.94 -1.26 -4.58 119.30 109.84 2f3i s MET 37 Ca 0.00 1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 54.69 2f3i s MET 37 Cb 0.00 -3.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.06 2f3i s MET 37 CO 0.00 -0.95 1.04 0.34 -0.01 0.00 0.00 175.02 175.44 2f3i s ASP 38 N 1.73 7.26 0.02 3.03 2.15 -0.50 -2.32 116.67 128.05 2f3i s ASP 38 Ca 0.45 1.65 0.03 0.00 0.43 0.00 0.00 52.55 55.12 2f3i s ASP 38 Cb -0.12 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2f3i s ASP 38 CO 0.17 -0.39 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.46 2f3i s LEU 39 N 1.58 2.12 0.04 -1.34 2.96 -0.54 -1.49 118.68 122.01 2f3i s LEU 39 Ca 0.51 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2f3i s LEU 39 Cb -0.21 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 2f3i s LEU 39 CO 0.23 0.01 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.50 2f3i s ILE 40 N -0.66 1.12 0.10 6.68 -1.09 0.27 -0.78 121.20 126.84 2f3i s ILE 40 Ca -0.00 -1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 57.32 2f3i s ILE 40 Cb -0.06 -1.02 -0.02 0.00 -1.58 0.00 0.00 42.46 39.77 2f3i s ILE 40 CO 0.00 -0.04 0.11 -0.76 -1.23 0.00 0.00 174.94 173.02 2f3i s LEU 41 N -1.25 1.74 -0.33 2.97 1.02 -0.28 -0.67 118.68 121.88 2f3i s LEU 41 Ca 0.01 -0.95 -0.01 0.00 0.02 0.00 0.00 54.13 53.19 2f3i s LEU 41 Cb -0.08 0.62 0.12 0.00 0.02 0.00 0.00 46.19 46.86 2f3i s LEU 41 CO 0.01 -0.72 0.16 -0.62 0.02 0.00 0.00 176.35 175.20 2f3i s ASP 42 N -2.95 3.46 0.06 2.29 2.15 0.56 -0.68 116.67 121.56 2f3i s ASP 42 Ca 0.13 -1.83 -0.04 0.00 0.43 0.00 0.00 52.55 51.25 2f3i s ASP 42 Cb 0.06 -0.56 -0.02 0.00 -0.30 0.00 0.00 42.92 42.10 2f3i s ASP 42 CO -0.05 -0.37 0.05 0.54 -0.17 0.00 0.00 175.17 175.17 2f3i s VAL 43 N 1.44 0.18 0.38 1.11 0.11 -0.59 -1.67 120.40 121.36 2f3i s VAL 43 Ca 0.13 -1.49 -0.28 0.00 -2.93 0.00 0.00 61.98 57.42 2f3i s VAL 43 Cb -0.20 -1.33 -0.11 0.00 -1.53 0.00 0.00 36.38 33.22 2f3i s VAL 43 CO -0.17 -0.82 1.48 0.21 -3.33 0.00 0.00 175.10 172.46 2f3i s ASN 44 N -2.73 6.33 0.00 3.54 2.47 -1.26 -0.98 114.94 122.31 2f3i s ASN 44 Ca 0.04 3.03 0.03 0.00 0.42 0.00 0.00 52.86 56.38 2f3i s ASN 44 Cb 0.05 -2.67 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 2f3i s ASN 44 CO -0.09 -0.88 0.47 2.30 -3.72 0.00 0.00 177.10 175.17 2f3i n ILE 45 N 0.43 0.00 0.37 -5.21 -6.64 0.54 -4.52 119.36 104.34 2f3i n ILE 45 Ca 0.01 -0.48 0.08 0.00 -1.77 0.00 0.00 62.75 60.59 2f3i n ILE 45 Cb 0.39 1.05 0.34 0.00 -1.44 0.00 0.00 39.64 39.98 2f3i n ILE 45 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2f3i n GLN 46 N -0.16 0.07 -0.34 6.28 6.02 -1.25 -0.92 117.38 127.06 2f3i n GLN 46 Ca 0.01 0.37 -0.02 0.00 -0.01 0.00 0.00 57.00 57.36 2f3i n GLN 46 Cb 0.07 -1.64 0.14 0.00 1.02 0.00 0.00 30.24 29.82 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2f3i h ILE 47 N 0.00 1.25 -3.29 5.09 2.04 -1.93 -3.41 117.51 117.26 2f3i h ILE 47 Ca 0.00 -0.46 -0.54 0.00 1.00 0.00 0.00 64.86 64.87 2f3i h ILE 47 Cb 0.22 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2f3i h ILE 47 CO 0.00 0.24 0.49 -0.31 0.00 0.00 0.00 178.15 178.57 2f3i s TYR 48 N -6.05 3.53 0.03 1.37 2.02 -0.10 -4.95 117.35 113.20 2f3i s TYR 48 Ca -0.13 1.46 0.19 0.00 -0.37 0.00 0.00 57.07 58.22 2f3i s TYR 48 Cb 0.18 -3.30 0.50 0.00 -0.40 0.00 0.00 41.96 38.94 2f3i s TYR 48 CO 0.81 -0.78 1.64 -1.00 -1.57 0.00 0.00 175.55 174.65 2f3i h PRO 49 N 6.73 0.00 -4.08 -1.71 0.13 -1.85 -3.46 132.00 127.76 2f3i h PRO 49 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 2f3i h PRO 49 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2f3i h PRO 49 CO 0.79 0.39 -0.51 0.14 -0.23 0.00 0.00 178.00 178.57 2f3i s VAL 50 N -3.37 0.14 0.00 1.56 -7.23 -1.26 -5.11 120.40 105.13 2f3i s VAL 50 Ca 0.02 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2f3i s VAL 50 Cb 0.09 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.39 2f3i s VAL 50 CO 0.70 -0.64 0.00 -0.67 -0.31 0.00 0.00 175.10 174.18 2f3i n ASP 51 N -0.05 0.00 0.00 4.85 2.03 -1.26 -4.40 116.55 117.71 2f3i n ASP 51 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2f3i n ASP 51 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2f3i n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2f3i n LEU 52 N 0.00 0.12 0.00 -2.67 4.77 -1.26 -4.98 117.00 112.98 2f3i n LEU 52 Ca 0.00 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2f3i n LEU 52 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2f3i n LEU 52 CO 0.00 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2f3i n GLY 53 N 0.71 0.54 0.00 -0.72 0.00 -1.26 -4.86 105.19 99.60 2f3i n GLY 53 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2f3i n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3i n ASP 54 N 0.00 0.00 -3.98 1.61 2.03 -1.26 -4.99 116.55 109.96 2f3i n ASP 54 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2f3i n ASP 54 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2f3i n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2f3i s LYS 55 N 0.00 0.39 0.25 -0.67 1.02 -1.26 -1.17 119.74 118.30 2f3i s LYS 55 Ca 0.00 -0.69 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 2f3i s LYS 55 Cb 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 2f3i s LYS 55 CO 0.00 -0.07 0.46 -0.59 -0.92 0.00 0.00 175.35 174.23 2f3i s PHE 56 N -1.88 0.45 -0.21 3.18 -0.12 -0.59 -4.03 117.98 114.78 2f3i s PHE 56 Ca -0.12 -0.80 -0.02 0.00 -0.05 0.00 0.00 56.93 55.95 2f3i s PHE 56 Cb -0.07 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2f3i s PHE 56 CO -0.02 -0.99 -0.11 0.50 -0.05 0.00 0.00 175.22 174.54 2f3i s ARG 57 N -3.94 3.16 -0.09 1.99 3.52 0.35 -0.46 118.95 123.47 2f3i s ARG 57 Ca 0.24 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2f3i s ARG 57 Cb -0.00 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 2f3i s ARG 57 CO 0.10 -0.22 0.01 -0.51 -0.81 0.00 0.00 175.30 173.86 2f3i s LEU 58 N 1.38 3.59 -0.05 -0.88 2.01 -0.56 -1.81 118.68 122.37 2f3i s LEU 58 Ca 0.05 0.14 -0.28 0.00 0.01 0.00 0.00 54.13 54.04 2f3i s LEU 58 Cb -0.14 -1.83 0.06 0.00 0.01 0.00 0.00 46.19 44.29 2f3i s LEU 58 CO -0.07 0.36 0.62 0.54 1.01 0.00 0.00 176.35 178.81 2f3i s VAL 59 N -0.78 0.01 0.00 -1.59 0.11 -0.32 -1.54 120.40 116.29 2f3i s VAL 59 Ca 0.12 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2f3i s VAL 59 Cb -0.12 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2f3i s VAL 59 CO 0.02 -0.04 0.00 2.30 -3.33 0.00 0.00 175.10 174.05 2f3i n ILE 60 N 1.01 0.00 -0.21 7.04 -5.35 -0.54 -1.15 119.36 120.16 2f3i n ILE 60 Ca -0.19 -0.02 0.20 0.00 -0.27 0.00 0.00 62.75 62.47 2f3i n ILE 60 Cb 0.57 0.30 0.56 0.00 -1.74 0.00 0.00 39.64 39.33 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i h ALA 61 N 0.00 2.31 0.00 -1.28 0.00 -1.41 -1.40 119.26 117.48 2f3i h ALA 61 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2f3i h ALA 61 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2f3i h ALA 61 CO 0.00 -0.58 0.00 0.43 0.00 0.00 0.00 179.25 179.10 2f3i n SER 62 N -4.46 0.00 -4.72 0.00 7.64 -1.26 -3.66 113.62 107.16 2f3i n SER 62 Ca 0.18 0.42 -0.42 0.00 1.01 0.00 0.00 58.87 60.06 2f3i n SER 62 Cb 0.72 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 2f3i n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2f3i s THR 63 N -2.92 3.00 -0.36 0.44 2.01 -0.53 -4.89 115.64 112.38 2f3i s THR 63 Ca 0.09 0.73 0.14 0.00 0.31 0.00 0.00 61.69 62.95 2f3i s THR 63 Cb 0.10 -3.47 0.43 0.00 0.01 0.00 0.00 72.50 69.57 2f3i s THR 63 CO 0.27 0.06 1.20 -0.11 -0.69 0.00 0.00 174.62 175.35 2f3i n LEU 64 N 3.78 -0.37 -0.04 4.42 7.94 -1.26 -2.81 117.00 128.65 2f3i n LEU 64 Ca 0.12 -3.51 0.15 0.00 -1.11 0.00 0.00 56.01 51.66 2f3i n LEU 64 Cb 0.41 0.21 0.58 0.00 0.53 0.00 0.00 43.42 45.15 2f3i n LEU 64 CO 0.60 1.70 1.18 0.22 -1.11 0.00 0.00 177.39 179.98 2f3i h TYR 65 N 2.35 0.26 0.00 1.96 3.20 -1.92 -1.27 116.97 121.56 2f3i h TYR 65 Ca -0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2f3i h TYR 65 Cb 1.25 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2f3i h TYR 65 CO 0.28 0.12 0.00 -0.85 -1.64 0.00 0.00 178.16 176.07 2f3i n GLU 66 N -4.44 0.18 0.28 1.82 0.00 -1.26 -1.67 120.64 115.55 2f3i n GLU 66 Ca 0.10 0.35 0.18 0.00 0.00 0.00 0.00 57.16 57.78 2f3i n GLU 66 Cb 0.46 -1.80 0.74 0.00 0.00 0.00 0.00 31.44 30.84 2f3i n GLU 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2f3i h ASP 67 N 0.00 0.00 -1.97 -1.84 3.58 -1.66 -3.47 116.42 111.06 2f3i h ASP 67 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2f3i h ASP 67 Cb 0.42 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.49 2f3i h ASP 67 CO 0.00 0.01 -0.26 0.61 -2.88 0.00 0.00 179.24 176.72 2f3i n GLY 68 N -0.11 0.08 0.32 -0.78 0.00 -0.67 -4.93 105.19 99.11 2f3i n GLY 68 Ca 0.00 -0.41 0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.41 0.15 0.00 2.61 2.02 -1.81 -0.74 112.91 114.73 2f3i h THR 69 Ca -0.24 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2f3i h THR 69 Cb 1.17 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2f3i h THR 69 CO 0.26 0.01 -0.21 0.00 0.37 0.00 0.00 175.52 175.95 2f3i n LEU 70 N -3.29 1.48 -3.13 2.58 -0.00 -1.26 -5.02 117.00 108.36 2f3i n LEU 70 Ca -0.03 -2.32 -0.17 0.00 -0.00 0.00 0.00 56.01 53.49 2f3i n LEU 70 Cb 0.09 -0.27 -0.03 0.00 -0.00 0.00 0.00 43.42 43.21 2f3i n LEU 70 CO 0.23 0.55 -0.06 -0.67 -0.00 0.00 0.00 177.39 177.43 2f3i n ASP 71 N -0.88 -1.21 -2.67 1.45 2.03 -0.29 -0.73 116.55 114.26 2f3i n ASP 71 Ca 0.10 -0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.07 2f3i n ASP 71 Cb 0.67 -1.12 -0.01 0.00 -0.72 0.00 0.00 41.12 39.94 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 -1.66 -2.29 0.00 1.67 2.03 -1.26 -4.12 116.55 110.92 2f3i n ASP 72 Ca 0.05 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2f3i n ASP 72 Cb 0.42 -2.01 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 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 -0.70 0.00 0.23 0.27 0.00 -0.45 -4.96 105.19 99.58 2f3i n GLY 73 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2f3i n GLY 73 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2f3i h GLU 74 N 0.00 0.00 -5.92 1.61 4.81 -1.08 -3.41 114.58 110.58 2f3i h GLU 74 Ca 0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 2f3i h GLU 74 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2f3i h GLU 74 CO 0.00 0.24 1.49 0.98 -0.73 0.00 0.00 179.01 180.98 2f3i n TYR 75 N -3.67 1.73 -3.87 0.92 4.19 -1.19 -4.91 117.16 110.36 2f3i n TYR 75 Ca -0.01 0.07 -0.09 0.00 3.31 0.00 0.00 57.90 61.18 2f3i n TYR 75 Cb 0.36 -2.63 -0.05 0.00 0.49 0.00 0.00 39.34 37.50 2f3i n TYR 75 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2f3i s ASN 76 N 8.35 -0.12 0.27 2.98 2.20 -1.26 -5.07 114.94 122.29 2f3i s ASN 76 Ca 1.05 -0.71 0.13 0.00 -0.94 0.00 0.00 52.86 52.39 2f3i s ASN 76 Cb -0.55 0.53 0.72 0.00 -2.00 0.00 0.00 41.25 39.96 2f3i s ASN 76 CO 0.40 -1.02 1.33 -2.65 -2.94 0.00 0.00 177.10 172.22 2f3i n PRO 77 N -0.31 0.09 0.33 3.55 -0.02 -1.26 -2.13 135.00 135.25 2f3i n PRO 77 Ca -0.07 0.55 0.22 0.00 -2.02 0.00 0.00 63.50 62.18 2f3i n PRO 77 Cb 0.62 -1.97 1.19 0.00 -0.02 0.00 0.00 33.50 33.32 2f3i n PRO 77 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2f3i h THR 78 N 0.00 0.00 -0.02 3.45 1.35 -1.97 0.12 112.91 115.84 2f3i h THR 78 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2f3i h THR 78 Cb 0.36 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2f3i h THR 78 CO 0.00 0.00 -0.24 -0.67 -0.25 0.00 0.00 175.52 174.36 2f3i n ASP 79 N -3.03 2.41 0.00 5.36 2.03 -0.91 -4.51 116.55 117.91 2f3i n ASP 79 Ca -0.03 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.57 2f3i n ASP 79 Cb 0.07 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2f3i n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2f3i n ASP 80 N 0.58 3.25 -0.04 1.67 2.03 -0.45 -1.25 116.55 122.34 2f3i n ASP 80 Ca 0.12 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.31 2f3i n ASP 80 Cb 0.52 0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 41.16 2f3i n ASP 80 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2f3i h ARG 81 N 0.00 0.22 -0.08 -0.67 3.08 -1.07 -1.79 114.38 114.07 2f3i h ARG 81 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2f3i h ARG 81 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2f3i h ARG 81 CO 0.00 0.42 0.00 -0.35 -1.07 0.00 0.00 179.97 178.97 2f3i n PRO 82 N -4.81 1.32 -4.15 0.04 -0.04 -1.26 -4.94 135.00 121.16 2f3i n PRO 82 Ca -0.05 -0.48 -0.34 0.00 -0.04 0.00 0.00 63.50 62.59 2f3i n PRO 82 Cb 0.18 -1.30 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 2f3i n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2f3i n SER 83 N -0.27 -0.75 0.33 3.54 3.41 -0.67 -4.84 113.62 114.37 2f3i n SER 83 Ca 0.13 -1.11 0.22 0.00 -0.26 0.00 0.00 58.87 57.86 2f3i n SER 83 Cb 0.17 -1.40 1.19 0.00 -0.26 0.00 0.00 64.21 63.91 2f3i n SER 83 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2f3i h ARG 84 N -1.00 0.00 -0.56 4.33 3.08 -1.67 -1.33 114.38 117.23 2f3i h ARG 84 Ca -0.55 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.67 2f3i h ARG 84 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2f3i h ARG 84 CO 0.73 0.00 0.43 0.00 -1.07 0.00 0.00 179.97 180.06 2f3i h ALA 85 N 2.00 2.47 0.00 0.04 0.00 -1.50 -2.29 119.26 119.98 2f3i h ALA 85 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2f3i h ALA 85 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2f3i h ALA 85 CO -0.00 -0.72 0.00 -3.47 0.00 0.00 0.00 179.25 175.06 2f3i n ASP 86 N -4.22 0.44 -0.17 0.00 2.03 -0.50 -2.04 116.55 112.09 2f3i n ASP 86 Ca 0.11 0.70 0.22 0.00 0.52 0.00 0.00 54.79 56.34 2f3i n ASP 86 Cb 0.66 -0.76 0.62 0.00 -0.72 0.00 0.00 41.12 40.92 2f3i n ASP 86 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2f3i h GLN 87 N 0.00 0.19 0.00 -0.67 3.07 -1.64 -3.46 115.11 112.60 2f3i h GLN 87 Ca 0.00 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.51 2f3i h GLN 87 Cb 0.03 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 2f3i h GLN 87 CO 0.00 0.13 -0.11 1.97 0.09 0.00 0.00 178.83 180.91 2f3i n PHE 88 N -4.40 -1.26 -1.68 0.06 1.16 -0.87 -5.13 117.46 105.35 2f3i n PHE 88 Ca 0.17 -1.84 -0.45 0.00 -1.87 0.00 0.00 57.45 53.46 2f3i n PHE 88 Cb 0.76 0.44 -0.04 0.00 -1.61 0.00 0.00 39.48 39.04 2f3i n PHE 88 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 2f3i n GLU 89 N -0.45 2.41 -1.17 3.97 0.00 -1.26 -4.82 120.64 119.32 2f3i n GLU 89 Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 57.16 57.73 2f3i n GLU 89 Cb 0.46 -2.72 0.11 0.00 0.00 0.00 0.00 31.44 29.29 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2f3i s TYR 90 N 2.58 2.42 0.03 -1.84 5.04 -0.11 -4.72 117.35 120.75 2f3i s TYR 90 Ca 0.84 1.58 0.04 0.00 -2.44 0.00 0.00 57.07 57.09 2f3i s TYR 90 Cb -0.60 -3.10 -0.02 0.00 0.35 0.00 0.00 41.96 38.59 2f3i s TYR 90 CO 0.42 -1.98 -0.11 0.54 -1.34 0.00 0.00 175.55 173.07 2f3i s VAL 91 N -2.86 0.88 0.19 3.14 0.11 -1.26 -1.52 120.40 119.08 2f3i s VAL 91 Ca 0.62 -0.81 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2f3i s VAL 91 Cb -0.18 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2f3i s VAL 91 CO 0.56 0.00 0.25 -0.32 -3.33 0.00 0.00 175.10 172.27 2f3i s MET 92 N -0.92 1.24 0.05 1.54 1.75 -0.10 -5.01 119.30 117.86 2f3i s MET 92 Ca 0.00 -1.38 0.05 0.00 -1.25 0.00 0.00 55.69 53.11 2f3i s MET 92 Cb -0.07 0.35 -0.02 0.00 2.84 0.00 0.00 34.83 37.93 2f3i s MET 92 CO 0.01 -0.45 -0.14 0.71 -0.65 0.00 0.00 175.02 174.50 2f3i s TYR 93 N -4.06 1.18 0.00 4.11 2.02 -1.26 -1.53 117.35 117.82 2f3i s TYR 93 Ca 0.27 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2f3i s TYR 93 Cb 0.04 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 2f3i s TYR 93 CO 0.07 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 2f3i n GLY 94 N 1.73 3.10 2.85 0.71 0.00 0.03 -2.54 105.19 111.07 2f3i n GLY 94 Ca -0.19 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 0.19 0.96 0.30 1.61 1.02 0.08 -4.68 119.74 119.22 2f3i s LYS 95 Ca 0.00 -0.07 -0.19 0.00 0.02 0.00 0.00 55.97 55.73 2f3i s LYS 95 Cb 0.00 -1.11 -0.09 0.00 -0.52 0.00 0.00 37.83 36.11 2f3i s LYS 95 CO 0.00 -0.21 0.79 0.08 -0.92 0.00 0.00 175.35 175.09 2f3i s VAL 96 N 1.53 4.53 -0.02 3.17 1.01 -1.24 -1.60 120.40 127.78 2f3i s VAL 96 Ca -0.01 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2f3i s VAL 96 Cb -0.13 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2f3i s VAL 96 CO -0.04 -0.02 0.03 -0.31 0.00 0.00 0.00 175.10 174.76 2f3i s TYR 97 N -1.80 0.07 0.08 5.22 2.02 -0.10 -4.86 117.35 117.97 2f3i s TYR 97 Ca 0.51 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 57.19 2f3i s TYR 97 Cb -0.13 -0.27 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 2f3i s TYR 97 CO 0.19 -0.10 0.29 -0.98 -1.57 0.00 0.00 175.55 173.38 2f3i s ARG 98 N 1.10 0.88 1.05 -0.62 3.03 -1.26 0.03 118.95 123.15 2f3i s ARG 98 Ca -0.09 -0.68 -0.18 0.00 2.03 0.00 0.00 55.73 56.81 2f3i s ARG 98 Cb -0.13 0.37 0.24 0.00 -1.03 0.00 0.00 34.95 34.40 2f3i s ARG 98 CO -0.03 -0.30 1.28 0.96 -1.13 0.00 0.00 175.30 176.09 2f3i s ILE 99 N -3.22 1.88 -1.65 4.99 -4.36 -0.79 -4.95 121.20 113.10 2f3i s ILE 99 Ca -0.00 0.00 0.22 0.00 -0.26 0.00 0.00 60.65 60.61 2f3i s ILE 99 Cb 0.01 -2.86 0.48 0.00 1.25 0.00 0.00 42.46 41.35 2f3i s ILE 99 CO -0.08 0.00 1.71 -1.84 0.24 0.00 0.00 174.94 174.98 2f3i n GLU 100 N -4.10 0.46 -0.56 0.37 0.28 -1.26 -4.85 120.64 110.98 2f3i n GLU 100 Ca 0.16 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 2f3i n GLU 100 Cb 0.59 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 0.51 0.68 2.75 -1.84 0.00 -1.26 -5.06 105.19 100.97 2f3i n GLY 101 Ca 0.13 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.30 0.36 -0.20 1.61 -1.08 -1.26 -4.59 116.67 109.21 2f3i s ASP 102 Ca 0.00 0.06 0.19 0.00 -0.52 0.00 0.00 52.55 52.28 2f3i s ASP 102 Cb 0.00 -0.08 0.47 0.00 -1.46 0.00 0.00 42.92 41.85 2f3i s ASP 102 CO 0.00 -0.16 1.15 -1.84 0.52 0.00 0.00 175.17 174.84 2f3i n GLU 103 N 4.49 1.68 0.00 4.34 0.28 -1.26 -4.88 120.64 125.29 2f3i n GLU 103 Ca -0.21 -3.26 0.00 0.00 -0.16 0.00 0.00 57.16 53.53 2f3i n GLU 103 Cb 0.50 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 32.01 2f3i n GLU 103 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2f3i n THR 104 N -0.41 0.00 0.08 3.84 -1.04 -1.26 -5.01 114.28 110.48 2f3i n THR 104 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2f3i n THR 104 Cb 0.91 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 2f3i n THR 104 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2f3i n SER 105 N -2.40 -1.38 0.00 8.00 3.41 -1.26 -5.01 113.62 114.98 2f3i n SER 105 Ca 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2f3i n SER 105 Cb 0.31 1.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 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 -2.72 0.00 -1.92 6.66 -2.24 -1.26 -5.02 114.28 107.78 2f3i n THR 106 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2f3i n THR 106 Cb 0.00 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.68 0.00 0.00 -0.78 0.28 -1.26 -4.74 120.64 112.46 2f3i n GLU 107 Ca 0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 2f3i n GLU 107 Cb 0.00 0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.00 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f3i n ALA 108 N 0.00 2.09 -0.80 -1.84 0.00 -1.26 -5.02 120.51 113.68 2f3i n ALA 108 Ca -0.07 -0.88 -0.29 0.00 0.00 0.00 0.00 53.44 52.20 2f3i n ALA 108 Cb 0.51 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.15 2f3i n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3i s ALA 109 N -0.76 0.67 0.00 0.00 0.00 -1.26 -4.98 121.76 115.42 2f3i s ALA 109 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2f3i s ALA 109 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2f3i s ALA 109 CO 0.00 -3.10 0.28 0.25 0.00 0.00 0.00 175.76 173.19 2f3i n THR 110 N -4.42 0.00 -4.12 0.00 -2.24 -1.26 -4.99 114.28 97.25 2f3i n THR 110 Ca 0.06 -0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 2f3i n THR 110 Cb 0.54 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.69 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3i s ARG 111 N -0.34 0.39 0.48 -0.78 3.00 -1.26 -4.35 118.95 116.08 2f3i s ARG 111 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 55.73 55.37 2f3i s ARG 111 Cb 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 34.95 34.54 2f3i s ARG 111 CO 0.00 0.09 0.88 -1.17 0.00 0.00 0.00 175.30 175.10 2f3i s LEU 112 N -0.28 3.67 -0.03 2.53 2.96 0.53 -4.69 118.68 123.37 2f3i s LEU 112 Ca 0.00 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 2f3i s LEU 112 Cb -0.03 -4.24 0.00 0.00 0.50 0.00 0.00 46.19 42.43 2f3i s LEU 112 CO -0.00 -0.53 -0.11 -0.44 -1.32 0.00 0.00 176.35 173.95 2f3i s SER 113 N -3.31 1.43 0.08 3.68 0.01 -1.26 -1.73 113.70 112.60 2f3i s SER 113 Ca 0.54 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 2f3i s SER 113 Cb -0.10 -0.39 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 2f3i s SER 113 CO 0.35 0.08 0.08 0.00 0.41 0.00 0.00 173.24 174.17 2f3i s ALA 114 N 0.17 0.21 0.07 1.44 0.00 0.09 -1.88 121.76 121.86 2f3i s ALA 114 Ca -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2f3i s ALA 114 Cb -0.09 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2f3i s ALA 114 CO 0.01 -0.45 -0.06 0.71 0.00 0.00 0.00 175.76 175.96 2f3i s TYR 115 N -3.91 0.75 -0.14 0.00 2.02 0.10 -0.69 117.35 115.48 2f3i s TYR 115 Ca 0.08 -0.79 -0.13 0.00 -0.37 0.00 0.00 57.07 55.86 2f3i s TYR 115 Cb 0.06 -0.45 0.04 0.00 -0.40 0.00 0.00 41.96 41.21 2f3i s TYR 115 CO -0.09 -0.16 0.38 0.54 -1.57 0.00 0.00 175.55 174.66 2f3i s VAL 116 N -2.89 -0.00 -0.15 0.71 0.11 -0.49 -0.93 120.40 116.77 2f3i s VAL 116 Ca 0.03 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2f3i s VAL 116 Cb 0.00 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2f3i s VAL 116 CO -0.04 0.00 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.09 2f3i s SER 117 N 0.21 2.99 -0.06 3.54 0.01 -0.63 -1.39 113.70 118.37 2f3i s SER 117 Ca -0.00 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 2f3i s SER 117 Cb -0.03 -1.38 0.04 0.00 0.21 0.00 0.00 66.02 64.86 2f3i s SER 117 CO 0.00 0.04 0.09 -0.72 0.41 0.00 0.00 173.24 173.07 2f3i s TYR 118 N 1.01 -0.00 -1.28 2.43 1.13 0.07 -0.74 117.35 119.98 2f3i s TYR 118 Ca -0.03 0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 2f3i s TYR 118 Cb -0.15 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 2f3i s TYR 118 CO -0.05 -0.23 0.00 0.41 -2.51 0.00 0.00 175.55 173.16 2f3i n GLY 119 N 5.31 -0.15 2.32 5.49 0.00 -1.05 -0.79 105.19 116.31 2f3i n GLY 119 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.74 1.38 3.97 -0.02 0.00 -1.26 -5.04 105.19 103.47 2f3i n GLY 120 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 3.65 0.05 0.99 1.43 0.03 -5.08 118.68 119.75 2f3i s LEU 121 Ca 0.00 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2f3i s LEU 121 Cb 0.00 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.28 2f3i s LEU 121 CO 0.00 -0.73 0.26 -0.22 0.23 0.00 0.00 176.35 175.89 2f3i s LEU 122 N -4.48 1.09 0.09 1.79 0.20 -0.67 -0.75 118.68 115.95 2f3i s LEU 122 Ca 0.50 -0.31 -0.17 0.00 0.69 0.00 0.00 54.13 54.84 2f3i s LEU 122 Cb -0.10 1.20 0.03 0.00 -0.43 0.00 0.00 46.19 46.89 2f3i s LEU 122 CO 0.36 -0.62 0.40 0.00 -0.29 0.00 0.00 176.35 176.20 2f3i s MET 123 N -2.76 1.00 -0.01 1.98 0.23 -0.49 -0.32 119.30 118.94 2f3i s MET 123 Ca -0.04 -0.58 -0.01 0.00 -1.03 0.00 0.00 55.69 54.04 2f3i s MET 123 Cb -0.00 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 2f3i s MET 123 CO -0.05 -0.37 0.02 1.03 -2.03 0.00 0.00 175.02 173.62 2f3i s ARG 124 N -3.28 0.02 0.13 3.16 0.52 0.16 -1.39 118.95 118.27 2f3i s ARG 124 Ca -0.00 0.04 -0.16 0.00 -0.52 0.00 0.00 55.73 55.09 2f3i s ARG 124 Cb 0.01 -0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.51 2f3i s ARG 124 CO -0.08 -0.01 0.40 -0.48 0.02 0.00 0.00 175.30 175.15 2f3i s LEU 125 N 0.08 0.41 0.11 2.53 2.34 0.13 -0.56 118.68 123.71 2f3i s LEU 125 Ca -0.01 -0.33 0.03 0.00 0.06 0.00 0.00 54.13 53.89 2f3i s LEU 125 Cb -0.01 1.83 -0.04 0.00 -0.56 0.00 0.00 46.19 47.42 2f3i s LEU 125 CO -0.00 -0.86 -0.09 -1.10 -1.06 0.00 0.00 176.35 173.24 2f3i s GLN 126 N -3.81 0.89 0.00 1.48 -0.21 -0.56 -0.73 119.66 116.72 2f3i s GLN 126 Ca 0.03 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.15 2f3i s GLN 126 Cb 0.02 -0.47 0.00 0.00 1.00 0.00 0.00 33.01 33.56 2f3i s GLN 126 CO -0.12 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2f3i n GLY 127 N 0.25 -0.14 3.64 3.09 0.00 -0.71 -1.41 105.19 109.92 2f3i n GLY 127 Ca -0.14 -0.92 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 2.27 -0.09 1.61 2.03 -1.26 -0.35 116.55 120.76 2f3i n ASP 128 Ca 0.00 1.14 -0.05 0.00 0.52 0.00 0.00 54.79 56.40 2f3i n ASP 128 Cb 0.00 -1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 39.01 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 4.00 -0.39 -0.66 -1.67 0.00 -1.88 0.28 119.26 118.93 2f3i h ALA 129 Ca -0.44 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2f3i h ALA 129 Cb 1.30 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 20.01 2f3i h ALA 129 CO 0.74 -0.52 0.40 -0.97 0.00 0.00 0.00 179.25 178.90 2f3i h ASN 130 N -0.10 0.62 0.06 0.00 -1.24 -1.99 -0.91 115.58 112.03 2f3i h ASN 130 Ca 0.04 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 2f3i h ASN 130 Cb 0.21 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 2f3i h ASN 130 CO -0.28 0.42 -0.03 -1.13 -1.29 0.00 0.00 177.43 175.12 2f3i h ASN 131 N 0.76 0.00 1.26 1.15 -1.24 -1.75 -1.78 115.58 113.97 2f3i h ASN 131 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2f3i h ASN 131 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2f3i h ASN 131 CO -0.14 0.03 0.00 0.25 -1.29 0.00 0.00 177.43 176.28 2f3i h LEU 132 N 0.00 0.00 -1.58 0.34 5.85 0.10 -3.47 115.31 116.55 2f3i h LEU 132 Ca -0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 2f3i h LEU 132 Cb 0.07 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 40.83 2f3i h LEU 132 CO 0.00 0.00 -0.92 1.41 -0.34 0.00 0.00 178.44 178.60 2f3i n HIS 133 N -2.89 -1.34 -1.14 1.25 8.25 -0.67 -4.80 115.22 113.88 2f3i n HIS 133 Ca 0.02 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.16 2f3i n HIS 133 Cb 0.36 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 28.91 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 -1.76 0.08 0.26 -1.41 0.00 -1.26 -4.67 105.19 96.43 2f3i n GLY 134 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2f3i n GLY 134 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2f3i h PHE 135 N 0.00 0.00 -0.94 1.61 -0.00 -1.87 -3.37 116.94 112.38 2f3i h PHE 135 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.97 57.63 2f3i h PHE 135 Cb 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.53 2f3i h PHE 135 CO 0.00 0.10 0.87 -1.21 -0.00 0.00 0.00 178.31 178.06 2f3i s GLU 136 N -4.53 2.62 0.65 6.09 2.02 -1.26 -4.86 118.70 119.43 2f3i s GLU 136 Ca -0.04 -0.19 0.22 0.00 0.02 0.00 0.00 54.97 54.97 2f3i s GLU 136 Cb 0.15 -4.97 1.12 0.00 0.10 0.00 0.00 34.13 30.53 2f3i s GLU 136 CO 0.62 -3.21 1.62 0.28 0.02 0.00 0.00 175.26 174.59 2f3i h VAL 137 N 7.17 0.06 0.00 2.63 2.07 -1.90 -2.63 116.25 123.65 2f3i h VAL 137 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2f3i h VAL 137 Cb 1.03 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2f3i h VAL 137 CO 1.22 0.00 -0.43 -0.90 0.02 0.00 0.00 177.57 177.48 2f3i n ASP 138 N -2.95 0.87 -0.05 0.57 5.75 -1.26 -3.61 116.55 115.87 2f3i n ASP 138 Ca 0.02 -2.41 -0.04 0.00 -0.01 0.00 0.00 54.79 52.35 2f3i n ASP 138 Cb 0.68 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.39 1.12 -0.15 -1.12 7.64 -0.99 -4.57 113.62 115.16 2f3i n SER 139 Ca 0.06 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2f3i n SER 139 Cb 0.74 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.67 0.89 -0.32 1.43 1.85 -1.25 -2.31 116.66 113.28 2f3i n ARG 140 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.76 2f3i n ARG 140 Cb 0.23 -1.13 0.11 0.00 -1.05 0.00 0.00 32.46 30.62 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 -3.10 8.89 -1.51 -1.82 -3.37 116.25 116.60 2f3i h VAL 141 Ca 0.00 -0.62 -0.56 0.00 -1.23 0.00 0.00 66.70 64.30 2f3i h VAL 141 Cb 0.13 0.05 -0.03 0.00 -2.13 0.00 0.00 31.29 29.31 2f3i h VAL 141 CO 0.00 0.28 0.71 -0.31 -1.23 0.00 0.00 177.57 177.02 2f3i s TYR 142 N -5.83 3.22 -0.03 5.19 2.02 -0.98 -0.79 117.35 120.15 2f3i s TYR 142 Ca -0.12 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.85 2f3i s TYR 142 Cb 0.17 -3.38 0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2f3i s TYR 142 CO 0.82 -1.10 0.01 -1.17 -1.57 0.00 0.00 175.55 172.54 2f3i s LEU 143 N 2.40 1.02 0.06 -1.29 0.20 -0.58 -4.74 118.68 115.74 2f3i s LEU 143 Ca 0.53 -0.02 0.03 0.00 0.69 0.00 0.00 54.13 55.37 2f3i s LEU 143 Cb -0.22 -0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.29 2f3i s LEU 143 CO 0.19 -0.12 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.28 2f3i s LEU 144 N 1.20 2.29 0.02 -0.68 1.02 -0.30 -0.92 118.68 121.31 2f3i s LEU 144 Ca -0.07 -0.61 -0.23 0.00 0.02 0.00 0.00 54.13 53.24 2f3i s LEU 144 Cb -0.13 -0.24 0.05 0.00 0.02 0.00 0.00 46.19 45.89 2f3i s LEU 144 CO -0.02 -0.20 0.52 0.00 0.02 0.00 0.00 176.35 176.67 2f3i s MET 145 N -1.84 0.99 0.14 1.70 0.23 -0.58 -1.18 119.30 118.77 2f3i s MET 145 Ca -0.06 -0.14 -0.06 0.00 -1.03 0.00 0.00 55.69 54.40 2f3i s MET 145 Cb -0.09 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2f3i s MET 145 CO 0.00 -0.34 0.18 0.21 -2.03 0.00 0.00 175.02 173.04 2f3i s LYS 146 N -2.09 1.02 1.03 3.16 2.20 -0.75 -0.93 119.74 123.37 2f3i s LYS 146 Ca -0.07 -1.24 -0.13 0.00 -0.36 0.00 0.00 55.97 54.16 2f3i s LYS 146 Cb -0.01 0.32 0.14 0.00 -1.51 0.00 0.00 37.83 36.77 2f3i s LYS 146 CO 0.01 -0.33 0.66 0.36 -0.36 0.00 0.00 175.35 175.69 2f3i n LYS 147 N -0.14 -1.11 -1.06 4.03 2.85 -1.26 -0.50 118.16 120.97 2f3i n LYS 147 Ca -0.08 -0.28 -0.30 0.00 -1.05 0.00 0.00 58.31 56.60 2f3i n LYS 147 Cb 0.63 -2.03 0.14 0.00 -0.65 0.00 0.00 35.03 33.12 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 -4.00 2.45 -0.24 -5.58 0.05 -1.26 -4.28 118.68 105.81 2f3i s LEU 148 Ca 0.62 1.72 0.23 0.00 0.05 0.00 0.00 54.13 56.74 2f3i s LEU 148 Cb -0.21 -4.16 0.50 0.00 -2.05 0.00 0.00 46.19 40.27 2f3i s LEU 148 CO 0.64 -2.71 1.14 0.00 -0.55 0.00 0.00 176.35 174.87 2f3i n ALA 149 N -3.95 2.58 -1.06 1.48 0.00 -1.26 -5.00 120.51 113.31 2f3i n ALA 149 Ca 0.08 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.90 2f3i n ALA 149 Cb 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2f3i n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69