#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 0.66 0.26 3.04 0.00 -1.26 -4.94 121.76 119.52 2f3i s ALA 2 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 2f3i s ALA 2 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2f3i s ALA 2 CO 0.00 -3.30 0.44 0.20 0.00 0.00 0.00 175.76 173.10 2f3i s GLY 3 N -3.62 0.77 0.03 0.00 0.00 -1.26 -3.83 107.32 99.41 2f3i s GLY 3 Ca 0.68 -1.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 2f3i s GLY 3 CO 0.57 -0.77 1.98 4.51 0.00 0.00 0.00 173.10 179.40 2f3i n ILE 4 N -0.40 0.76 0.00 0.90 0.13 -1.26 -3.59 119.36 115.91 2f3i n ILE 4 Ca -0.01 -0.15 0.00 0.00 -1.10 0.00 0.00 62.75 61.49 2f3i n ILE 4 Cb 0.62 -2.32 0.00 0.00 -0.84 0.00 0.00 39.64 37.10 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 7.64 0.24 -3.52 9.51 0.00 -0.58 -4.97 117.00 125.32 2f3i n LEU 5 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 56.05 2f3i n LEU 5 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.77 2f3i n LEU 5 CO 0.68 0.04 0.49 0.12 0.00 0.00 0.00 177.39 178.72 2f3i s PHE 6 N -1.11 -0.60 -0.25 1.96 5.36 -1.11 -4.97 117.98 117.26 2f3i s PHE 6 Ca 0.00 1.00 -0.16 0.00 -0.96 0.00 0.00 56.93 56.81 2f3i s PHE 6 Cb 0.00 0.43 0.07 0.00 -0.34 0.00 0.00 43.02 43.18 2f3i s PHE 6 CO 0.00 -0.58 0.62 -2.00 -1.46 0.00 0.00 175.22 171.80 2f3i s GLU 7 N -1.34 0.66 0.04 10.12 2.12 -1.26 -1.02 118.70 128.01 2f3i s GLU 7 Ca -0.09 1.07 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 2f3i s GLU 7 Cb -0.00 0.16 0.08 0.00 0.26 0.00 0.00 34.13 34.62 2f3i s GLU 7 CO 0.07 -0.14 0.68 0.34 -0.54 0.00 0.00 175.26 175.67 2f3i s ASP 8 N 1.32 -0.58 0.52 -1.70 2.15 -0.54 -5.01 116.67 112.82 2f3i s ASP 8 Ca -0.08 0.34 -0.19 0.00 0.43 0.00 0.00 52.55 53.05 2f3i s ASP 8 Cb -0.06 0.54 -0.07 0.00 -0.30 0.00 0.00 42.92 43.03 2f3i s ASP 8 CO -0.14 -0.75 1.05 -0.63 -0.17 0.00 0.00 175.17 174.53 2f3i s ILE 9 N -2.42 3.76 0.09 4.11 1.09 -1.26 -1.16 121.20 125.41 2f3i s ILE 9 Ca -0.04 1.02 0.06 0.00 -1.10 0.00 0.00 60.65 60.59 2f3i s ILE 9 Cb -0.01 -3.42 -0.03 0.00 -1.06 0.00 0.00 42.46 37.94 2f3i s ILE 9 CO -0.02 -0.31 -0.16 -0.36 -0.10 0.00 0.00 174.94 173.99 2f3i s PHE 10 N -2.10 1.38 -0.05 3.97 0.40 0.06 -0.76 117.98 120.88 2f3i s PHE 10 Ca 0.67 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 2f3i s PHE 10 Cb -0.17 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.62 2f3i s PHE 10 CO 0.25 0.11 -0.05 0.34 0.70 0.00 0.00 175.22 176.57 2f3i s ASP 11 N -1.89 1.04 0.56 1.36 2.15 -0.51 -1.20 116.67 118.17 2f3i s ASP 11 Ca 0.02 -0.14 -0.21 0.00 0.43 0.00 0.00 52.55 52.65 2f3i s ASP 11 Cb -0.09 -0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 42.00 2f3i s ASP 11 CO 0.03 -0.05 1.27 0.54 -0.17 0.00 0.00 175.17 176.78 2f3i s VAL 12 N 0.94 2.44 0.00 1.11 0.11 -1.18 -1.14 120.40 122.68 2f3i s VAL 12 Ca -0.11 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2f3i s VAL 12 Cb -0.14 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 2f3i s VAL 12 CO 0.00 -0.03 0.00 0.29 -3.33 0.00 0.00 175.10 172.03 2f3i n LYS 13 N -1.21 2.84 -3.71 1.54 4.76 0.86 -4.84 118.16 118.41 2f3i n LYS 13 Ca 0.11 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.47 2f3i n LYS 13 Cb 0.47 -0.87 -0.02 0.00 -1.84 0.00 0.00 35.03 32.77 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 -2.39 -0.36 -0.03 4.39 2.15 -0.56 -4.97 116.67 114.89 2f3i s ASP 14 Ca 0.00 -0.40 0.02 0.00 0.43 0.00 0.00 52.55 52.60 2f3i s ASP 14 Cb 0.00 0.68 0.01 0.00 -0.30 0.00 0.00 42.92 43.30 2f3i s ASP 14 CO 0.00 -1.21 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.09 2f3i s ILE 15 N -3.84 0.70 -0.37 4.11 1.09 -1.26 -1.40 121.20 120.23 2f3i s ILE 15 Ca 0.08 -0.30 0.03 0.00 -1.10 0.00 0.00 60.65 59.35 2f3i s ILE 15 Cb -0.04 -0.64 0.15 0.00 -1.06 0.00 0.00 42.46 40.87 2f3i s ILE 15 CO 0.00 0.23 0.35 -0.62 -0.10 0.00 0.00 174.94 174.80 2f3i s ASP 16 N 0.30 1.49 0.00 3.58 2.15 0.28 -4.98 116.67 119.49 2f3i s ASP 16 Ca -0.04 -1.74 0.00 0.00 0.43 0.00 0.00 52.55 51.19 2f3i s ASP 16 Cb -0.09 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 2f3i s ASP 16 CO 0.00 -0.26 0.14 -2.65 -0.17 0.00 0.00 175.17 172.23 2f3i n PRO 17 N 4.15 0.21 -1.12 4.34 -0.02 -1.26 -1.20 135.00 140.10 2f3i n PRO 17 Ca 0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 2f3i n PRO 17 Cb 0.44 -1.07 -0.11 0.00 -0.02 0.00 0.00 33.50 32.73 2f3i n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f3i n GLU 18 N 0.12 2.68 -1.75 -0.52 -0.58 -1.26 -3.80 120.64 115.53 2f3i n GLU 18 Ca 0.00 -1.48 -0.01 0.00 -0.42 0.00 0.00 57.16 55.25 2f3i n GLU 18 Cb 0.04 -2.32 0.04 0.00 -0.57 0.00 0.00 31.44 28.63 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 2.93 0.06 2.80 0.62 0.00 -1.26 -4.77 105.19 105.58 2f3i n GLY 19 Ca 0.57 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 2f3i n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f3i n LYS 20 N -0.48 2.24 -0.21 1.61 4.76 -1.25 -3.81 118.16 121.02 2f3i n LYS 20 Ca -0.07 -2.00 0.07 0.00 -2.87 0.00 0.00 58.31 53.44 2f3i n LYS 20 Cb 0.61 -2.90 0.34 0.00 -1.84 0.00 0.00 35.03 31.24 2f3i n LYS 20 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2f3i h LYS 21 N 6.72 0.75 -4.22 1.97 1.63 -1.96 -3.43 116.57 118.03 2f3i h LYS 21 Ca 0.53 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 60.12 2f3i h LYS 21 Cb 0.51 -0.17 -0.13 0.00 -0.60 0.00 0.00 32.23 31.83 2f3i h LYS 21 CO 1.81 0.50 -0.47 -0.06 -3.45 0.00 0.00 179.45 177.78 2f3i s PHE 22 N -5.70 0.77 0.44 1.91 0.08 -1.26 -5.02 117.98 109.20 2f3i s PHE 22 Ca -0.10 -1.09 0.12 0.00 0.12 0.00 0.00 56.93 55.98 2f3i s PHE 22 Cb 0.20 -0.29 0.97 0.00 -0.57 0.00 0.00 43.02 43.32 2f3i s PHE 22 CO 0.78 -0.69 2.02 0.22 -0.10 0.00 0.00 175.22 177.45 2f3i h ASP 23 N 2.60 0.18 -0.10 1.36 3.58 -1.96 -1.29 116.42 120.79 2f3i h ASP 23 Ca -0.33 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2f3i h ASP 23 Cb 1.23 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2f3i h ASP 23 CO 0.50 0.24 0.00 -2.11 -2.88 0.00 0.00 179.24 174.99 2f3i n ARG 24 N -4.40 1.26 -5.08 0.28 1.85 -1.26 -4.83 116.66 104.49 2f3i n ARG 24 Ca -0.01 -0.37 -0.28 0.00 -1.00 0.00 0.00 57.85 56.19 2f3i n ARG 24 Cb 0.17 -1.13 -0.16 0.00 -1.05 0.00 0.00 32.46 30.29 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 -1.80 1.74 0.24 8.89 1.01 -0.49 -0.10 120.40 129.90 2f3i s VAL 25 Ca 0.07 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2f3i s VAL 25 Cb 0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2f3i s VAL 25 CO 0.04 0.49 0.42 -0.44 0.00 0.00 0.00 175.10 175.61 2f3i s SER 26 N -0.38 -0.00 0.22 3.32 0.01 -0.62 -3.97 113.70 112.28 2f3i s SER 26 Ca 0.05 -1.04 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 2f3i s SER 26 Cb -0.10 0.56 -0.07 0.00 0.21 0.00 0.00 66.02 66.62 2f3i s SER 26 CO 0.00 -1.10 0.53 -0.60 0.41 0.00 0.00 173.24 172.49 2f3i s ARG 27 N -3.99 3.80 0.05 12.44 3.52 -0.34 -1.50 118.95 132.92 2f3i s ARG 27 Ca 0.26 0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 56.09 2f3i s ARG 27 Cb 0.01 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 2f3i s ARG 27 CO 0.10 0.34 0.01 -0.51 -0.81 0.00 0.00 175.30 174.43 2f3i s LEU 28 N -2.75 2.24 -0.03 -0.88 2.01 0.64 -0.56 118.68 119.36 2f3i s LEU 28 Ca 0.46 -0.84 0.02 0.00 0.01 0.00 0.00 54.13 53.78 2f3i s LEU 28 Cb -0.11 0.34 0.01 0.00 0.01 0.00 0.00 46.19 46.43 2f3i s LEU 28 CO 0.21 -0.57 -0.08 -2.28 1.01 0.00 0.00 176.35 174.65 2f3i s HIS 29 N -3.46 0.85 0.29 0.29 5.65 -0.49 -1.58 115.29 116.84 2f3i s HIS 29 Ca 0.03 -0.21 0.03 0.00 0.25 0.00 0.00 55.06 55.15 2f3i s HIS 29 Cb 0.04 -0.63 -0.03 0.00 -1.18 0.00 0.00 32.58 30.78 2f3i s HIS 29 CO -0.08 -0.11 0.26 0.00 -0.65 0.00 0.00 174.74 174.15 2f3i s GLU 31 N -3.65 0.23 0.13 0.00 2.12 -0.29 -1.35 118.70 115.89 2f3i s GLU 31 Ca 0.39 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.19 2f3i s GLU 31 Cb 0.03 0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.43 2f3i s GLU 31 CO 0.21 -0.04 1.43 -1.54 -0.54 0.00 0.00 175.26 174.78 2f3i s SER 32 N -0.69 6.76 0.31 -1.70 1.04 -0.97 -1.43 113.70 117.02 2f3i s SER 32 Ca -0.08 2.41 0.09 0.00 0.48 0.00 0.00 55.95 58.85 2f3i s SER 32 Cb -0.05 -2.59 0.50 0.00 0.10 0.00 0.00 66.02 63.98 2f3i s SER 32 CO 0.00 -0.69 1.71 -0.08 0.98 0.00 0.00 173.24 175.16 2f3i h GLU 33 N 6.70 0.13 -0.00 4.02 4.57 -1.29 -3.34 114.58 125.37 2f3i h GLU 33 Ca -0.42 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2f3i h GLU 33 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2f3i h GLU 33 CO 0.87 0.56 -0.18 0.43 -1.18 0.00 0.00 179.01 179.51 2f3i n SER 34 N -3.99 0.93 0.00 1.04 7.64 -1.26 -4.98 113.62 112.99 2f3i n SER 34 Ca -0.02 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2f3i n SER 34 Cb 0.49 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.44 0.00 -1.04 1.43 3.72 -1.25 -5.11 117.46 114.77 2f3i n PHE 35 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2f3i n PHE 35 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2f3i n LYS 36 N 0.00 0.00 -2.63 -1.08 2.85 -1.26 -5.01 118.16 111.04 2f3i n LYS 36 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2f3i n LYS 36 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2f3i s MET 37 N 0.00 4.69 0.16 -1.58 -1.94 -1.26 -4.86 119.30 114.51 2f3i s MET 37 Ca 0.00 1.60 -0.28 0.00 -1.71 0.00 0.00 55.69 55.30 2f3i s MET 37 Cb 0.00 -3.29 -0.07 0.00 2.01 0.00 0.00 34.83 33.47 2f3i s MET 37 CO 0.00 0.24 0.88 0.34 -0.01 0.00 0.00 175.02 176.47 2f3i s ASP 38 N -0.43 7.48 -0.01 3.03 2.15 0.10 -2.28 116.67 126.71 2f3i s ASP 38 Ca 0.46 1.76 0.03 0.00 0.43 0.00 0.00 52.55 55.23 2f3i s ASP 38 Cb -0.27 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2f3i s ASP 38 CO 0.34 0.08 -0.09 -0.22 -0.17 0.00 0.00 175.17 175.11 2f3i s LEU 39 N -0.65 1.94 0.05 -1.34 2.96 -0.46 -1.50 118.68 119.68 2f3i s LEU 39 Ca 0.41 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 2f3i s LEU 39 Cb -0.24 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 2f3i s LEU 39 CO 0.29 0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.60 2f3i s ILE 40 N -0.08 1.46 0.08 6.68 -1.09 0.21 -0.72 121.20 127.74 2f3i s ILE 40 Ca 0.01 -1.16 -0.23 0.00 -2.23 0.00 0.00 60.65 57.05 2f3i s ILE 40 Cb -0.05 -1.29 0.06 0.00 -1.58 0.00 0.00 42.46 39.60 2f3i s ILE 40 CO -0.00 0.10 0.55 -1.48 -1.23 0.00 0.00 174.94 172.88 2f3i s LEU 41 N -1.23 -0.23 -0.26 2.97 2.34 -0.61 -0.50 118.68 121.16 2f3i s LEU 41 Ca 0.05 0.12 0.01 0.00 0.06 0.00 0.00 54.13 54.36 2f3i s LEU 41 Cb -0.09 2.28 0.07 0.00 -0.56 0.00 0.00 46.19 47.89 2f3i s LEU 41 CO 0.02 -0.80 -0.01 -0.62 -1.06 0.00 0.00 176.35 173.88 2f3i s ASP 42 N -2.23 3.92 0.25 1.48 2.15 -0.05 -0.26 116.67 121.94 2f3i s ASP 42 Ca -0.03 -1.35 -0.08 0.00 0.43 0.00 0.00 52.55 51.52 2f3i s ASP 42 Cb -0.00 -1.14 -0.01 0.00 -0.30 0.00 0.00 42.92 41.47 2f3i s ASP 42 CO -0.05 -0.29 0.39 0.68 -0.17 0.00 0.00 175.17 175.73 2f3i s VAL 43 N 1.40 0.00 0.41 1.11 -7.23 -0.56 -1.81 120.40 113.72 2f3i s VAL 43 Ca -0.01 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 2f3i s VAL 43 Cb -0.18 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 2f3i s VAL 43 CO -0.10 0.00 1.47 -3.20 -0.31 0.00 0.00 175.10 172.96 2f3i n ASN 44 N -0.53 3.62 -0.15 4.85 5.15 -1.26 -1.59 115.26 125.35 2f3i n ASN 44 Ca -0.00 1.19 0.02 0.00 -0.60 0.00 0.00 54.58 55.18 2f3i n ASN 44 Cb 0.63 -1.62 0.02 0.00 -0.53 0.00 0.00 39.78 38.28 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 0.18 0.11 0.31 -1.44 -6.64 0.86 -4.49 119.36 108.25 2f3i n ILE 45 Ca 0.03 -0.55 0.18 0.00 -1.77 0.00 0.00 62.75 60.63 2f3i n ILE 45 Cb 0.40 1.01 0.98 0.00 -1.44 0.00 0.00 39.64 40.59 2f3i n ILE 45 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 2f3i h GLN 46 N 0.68 0.00 -0.97 6.28 4.20 -1.94 -0.03 115.11 123.33 2f3i h GLN 46 Ca 0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 2f3i h GLN 46 Cb 0.19 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 2f3i h GLN 46 CO 0.00 0.03 0.61 0.82 -0.67 0.00 0.00 178.83 179.62 2f3i h ILE 47 N 0.00 0.84 -2.95 2.54 2.04 -1.93 -3.43 117.51 114.62 2f3i h ILE 47 Ca -0.00 -0.29 -0.53 0.00 1.00 0.00 0.00 64.86 65.04 2f3i h ILE 47 Cb 0.12 -0.07 0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2f3i h ILE 47 CO 0.00 0.15 0.78 -0.31 0.00 0.00 0.00 178.15 178.77 2f3i s TYR 48 N -5.83 3.11 0.25 1.37 1.51 -0.03 -4.92 117.35 112.82 2f3i s TYR 48 Ca -0.11 0.85 0.07 0.00 -1.01 0.00 0.00 57.07 56.87 2f3i s TYR 48 Cb 0.23 -3.73 0.28 0.00 -0.11 0.00 0.00 41.96 38.63 2f3i s TYR 48 CO 0.80 -2.62 1.57 -1.00 -1.11 0.00 0.00 175.55 173.19 2f3i h PRO 49 N 7.04 0.14 -3.64 -1.71 0.13 -1.84 -3.45 132.00 128.67 2f3i h PRO 49 Ca -0.42 -0.10 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 2f3i h PRO 49 Cb 1.20 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2f3i h PRO 49 CO 0.88 0.71 -0.43 0.14 -0.23 0.00 0.00 178.00 179.07 2f3i s VAL 50 N -3.68 0.12 0.53 1.56 -7.23 -1.26 -5.05 120.40 105.39 2f3i s VAL 50 Ca -0.03 -0.96 0.29 0.00 -1.81 0.00 0.00 61.98 59.47 2f3i s VAL 50 Cb 0.12 -0.92 0.33 0.00 0.56 0.00 0.00 36.38 36.48 2f3i s VAL 50 CO 0.78 -0.53 2.19 -0.78 -0.31 0.00 0.00 175.10 176.46 2f3i h ASP 51 N 3.50 0.00 -0.71 4.85 3.58 -1.98 -2.97 116.42 122.69 2f3i h ASP 51 Ca -0.32 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.19 2f3i h ASP 51 Cb 1.19 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.20 2f3i h ASP 51 CO 0.49 0.04 0.47 0.25 -2.88 0.00 0.00 179.24 177.61 2f3i h LEU 52 N 0.00 0.67 0.00 2.28 5.85 -2.00 -3.48 115.31 118.64 2f3i h LEU 52 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2f3i h LEU 52 Cb 0.12 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2f3i h LEU 52 CO 0.01 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.15 2f3i n GLY 53 N -1.45 -0.25 3.74 3.75 0.00 -1.12 -5.08 105.19 104.78 2f3i n GLY 53 Ca 0.10 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 -0.21 0.09 1.61 2.15 -1.26 -4.25 116.67 114.80 2f3i s ASP 54 Ca 0.00 -0.69 0.02 0.00 0.43 0.00 0.00 52.55 52.30 2f3i s ASP 54 Cb 0.00 0.67 -0.04 0.00 -0.30 0.00 0.00 42.92 43.25 2f3i s ASP 54 CO 0.00 -1.25 -0.07 -0.54 -0.17 0.00 0.00 175.17 173.14 2f3i s LYS 55 N -3.95 0.80 0.21 4.34 1.02 -1.26 -3.13 119.74 117.77 2f3i s LYS 55 Ca 0.14 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 2f3i s LYS 55 Cb -0.04 -0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 2f3i s LYS 55 CO 0.07 -0.01 0.20 -0.06 -0.92 0.00 0.00 175.35 174.63 2f3i s PHE 56 N -3.37 0.98 -0.23 3.18 0.08 -0.34 -4.66 117.98 113.62 2f3i s PHE 56 Ca 0.09 -1.24 -0.02 0.00 0.12 0.00 0.00 56.93 55.88 2f3i s PHE 56 Cb 0.04 -0.40 0.07 0.00 -0.57 0.00 0.00 43.02 42.16 2f3i s PHE 56 CO -0.04 -0.71 0.05 0.50 -0.10 0.00 0.00 175.22 174.92 2f3i s ARG 57 N -4.13 0.69 -0.10 0.44 3.52 0.11 -0.76 118.95 118.72 2f3i s ARG 57 Ca 0.35 -0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 55.19 2f3i s ARG 57 Cb 0.05 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.34 2f3i s ARG 57 CO 0.11 -0.74 0.38 -1.17 -0.81 0.00 0.00 175.30 173.08 2f3i s LEU 58 N 1.79 4.32 0.06 -0.88 2.96 -0.31 -1.33 118.68 125.29 2f3i s LEU 58 Ca 0.02 0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 54.48 2f3i s LEU 58 Cb -0.17 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.02 2f3i s LEU 58 CO -0.13 0.13 0.42 0.54 -1.32 0.00 0.00 176.35 175.98 2f3i s VAL 59 N 0.11 0.06 -0.20 1.68 0.11 -0.12 -1.47 120.40 120.57 2f3i s VAL 59 Ca 0.22 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2f3i s VAL 59 Cb -0.15 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.80 2f3i s VAL 59 CO 0.09 -0.25 0.27 -0.51 -3.33 0.00 0.00 175.10 171.36 2f3i s ILE 60 N -2.77 -0.42 0.25 7.04 1.10 -0.19 -1.15 121.20 125.07 2f3i s ILE 60 Ca -0.03 -0.02 -0.03 0.00 -0.51 0.00 0.00 60.65 60.05 2f3i s ILE 60 Cb -0.00 -0.67 -0.02 0.00 0.15 0.00 0.00 42.46 41.92 2f3i s ILE 60 CO -0.04 -0.12 0.28 0.00 -2.11 0.00 0.00 174.94 172.95 2f3i s ALA 61 N 2.40 0.87 0.11 1.50 0.00 -1.24 -1.53 121.76 123.87 2f3i s ALA 61 Ca 0.07 -1.53 -0.36 0.00 0.00 0.00 0.00 51.96 50.14 2f3i s ALA 61 Cb -0.15 1.29 -0.16 0.00 0.00 0.00 0.00 23.12 24.11 2f3i s ALA 61 CO -0.12 -0.69 1.41 0.43 0.00 0.00 0.00 175.76 176.79 2f3i n SER 62 N -0.62 2.09 -3.04 0.00 7.64 -1.25 -4.28 113.62 114.16 2f3i n SER 62 Ca 0.02 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2f3i n SER 62 Cb 0.64 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2f3i n SER 62 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 63 N 2.80 0.00 -2.54 0.44 -2.24 -1.25 -1.12 114.28 110.37 2f3i n THR 63 Ca 0.18 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.77 2f3i n THR 63 Cb 0.22 -1.81 -0.00 0.00 -2.10 0.00 0.00 70.33 66.64 2f3i n THR 63 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2f3i n LEU 64 N 0.00 -1.78 -1.65 3.22 -0.00 -1.26 -1.35 117.00 114.18 2f3i n LEU 64 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 56.01 55.95 2f3i n LEU 64 Cb 0.00 -2.67 -0.01 0.00 -0.00 0.00 0.00 43.42 40.73 2f3i n LEU 64 CO 0.00 -0.12 -0.05 -1.22 -0.00 0.00 0.00 177.39 176.00 2f3i n TYR 65 N -3.89 -1.14 0.30 1.96 4.01 -1.26 -4.85 117.16 112.29 2f3i n TYR 65 Ca -0.19 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.74 2f3i n TYR 65 Cb 0.65 -1.65 0.99 0.00 -0.31 0.00 0.00 39.34 39.02 2f3i n TYR 65 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2f3i h GLU 66 N 0.00 0.00 -0.30 -0.72 4.39 -1.08 -0.64 114.58 116.24 2f3i h GLU 66 Ca -0.11 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.68 2f3i h GLU 66 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2f3i h GLU 66 CO 0.15 0.00 0.37 0.22 -1.16 0.00 0.00 179.01 178.59 2f3i h ASP 67 N 0.00 0.00 0.00 1.42 3.58 -1.35 -3.46 116.42 116.61 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 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2f3i h ASP 67 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2f3i n GLY 68 N -1.43 1.20 0.28 -0.78 0.00 -0.26 -5.01 105.19 99.20 2f3i n GLY 68 Ca 0.05 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 0.42 -0.37 2.61 2.02 -1.83 -0.47 112.91 115.29 2f3i h THR 69 Ca 0.00 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2f3i h THR 69 Cb 0.01 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2f3i h THR 69 CO 0.00 0.08 0.03 0.18 0.37 0.00 0.00 175.52 176.18 2f3i n LEU 70 N -3.51 4.40 -4.18 2.58 4.77 -1.26 -4.76 117.00 115.04 2f3i n LEU 70 Ca -0.02 -3.17 -0.40 0.00 -0.03 0.00 0.00 56.01 52.39 2f3i n LEU 70 Cb 0.21 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2f3i n LEU 70 CO 0.28 0.79 -0.30 -0.67 -1.33 0.00 0.00 177.39 176.16 2f3i n ASP 71 N -0.48 -1.99 -1.73 -1.43 2.03 -0.18 -0.88 116.55 111.89 2f3i n ASP 71 Ca 0.27 -1.29 -0.15 0.00 0.52 0.00 0.00 54.79 54.14 2f3i n ASP 71 Cb 1.02 -1.65 -0.05 0.00 -0.72 0.00 0.00 41.12 39.72 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 -2.46 -4.11 0.00 1.67 2.03 -1.26 -1.28 116.55 111.14 2f3i n ASP 72 Ca -0.20 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2f3i n ASP 72 Cb 0.62 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 37.35 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 -0.45 0.45 0.24 0.27 0.00 -0.06 -4.96 105.19 100.68 2f3i n GLY 73 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 3.52 0.00 -6.43 1.61 4.57 -1.04 -3.44 114.58 113.37 2f3i h GLU 74 Ca 0.00 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.58 2f3i h GLU 74 Cb 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 28.64 2f3i h GLU 74 CO 0.00 0.14 0.86 0.98 -1.18 0.00 0.00 179.01 179.81 2f3i n TYR 75 N -3.26 2.25 -3.91 0.92 9.36 -0.80 -4.98 117.16 116.73 2f3i n TYR 75 Ca 0.01 0.22 -0.09 0.00 3.32 0.00 0.00 57.90 61.35 2f3i n TYR 75 Cb 0.41 -2.56 -0.06 0.00 -0.63 0.00 0.00 39.34 36.49 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 1.71 -0.00 0.59 2.98 2.20 -1.26 -5.02 114.94 116.14 2f3i s ASN 76 Ca 0.83 -0.79 0.29 0.00 -0.94 0.00 0.00 52.86 52.25 2f3i s ASN 76 Cb -0.70 0.45 1.38 0.00 -2.00 0.00 0.00 41.25 40.38 2f3i s ASN 76 CO 0.42 -0.90 1.78 -0.65 -2.94 0.00 0.00 177.10 174.81 2f3i h PRO 77 N 2.51 0.00 0.00 3.55 0.11 -2.01 -1.25 132.00 134.91 2f3i h PRO 77 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 2f3i h PRO 77 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2f3i h PRO 77 CO 0.47 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.01 2f3i h THR 78 N 0.00 0.27 0.00 -1.15 1.35 -1.97 0.14 112.91 111.54 2f3i h THR 78 Ca 0.27 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2f3i h THR 78 Cb 1.54 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2f3i h THR 78 CO -0.00 0.04 0.00 -0.78 -0.25 0.00 0.00 175.52 174.52 2f3i h ASP 79 N 0.00 0.00 0.00 5.36 3.58 -1.63 -3.26 116.42 120.47 2f3i h ASP 79 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 79 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2f3i h ASP 79 CO 0.00 0.00 -1.06 -0.67 -2.88 0.00 0.00 179.24 174.64 2f3i n ASP 80 N -2.63 2.62 -4.63 2.28 2.03 -0.10 -4.67 116.55 111.45 2f3i n ASP 80 Ca 0.02 -0.17 -0.47 0.00 0.52 0.00 0.00 54.79 54.69 2f3i n ASP 80 Cb 0.30 1.23 -0.04 0.00 -0.72 0.00 0.00 41.12 41.89 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 -1.59 1.68 -2.78 -0.67 1.74 -0.39 -1.88 116.66 112.78 2f3i n ARG 81 Ca -0.01 0.60 -0.11 0.00 -0.77 0.00 0.00 57.85 57.57 2f3i n ARG 81 Cb 0.16 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.35 2f3i n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2f3i n PRO 82 N 2.20 -0.95 -2.12 5.56 -0.02 -1.26 -4.86 135.00 133.55 2f3i n PRO 82 Ca 0.14 0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.62 2f3i n PRO 82 Cb 0.28 -1.20 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.45 -0.24 -4.03 2.55 7.64 -0.79 -5.19 113.62 113.11 2f3i n SER 83 Ca -0.04 -1.38 -0.10 0.00 1.01 0.00 0.00 58.87 58.35 2f3i n SER 83 Cb 0.18 0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 2f3i n SER 83 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2f3i s ARG 84 N -2.18 0.44 0.39 1.43 0.52 -1.26 -4.90 118.95 113.39 2f3i s ARG 84 Ca 0.06 -0.76 0.28 0.00 -0.52 0.00 0.00 55.73 54.79 2f3i s ARG 84 Cb -0.00 -0.03 1.34 0.00 0.52 0.00 0.00 34.95 36.78 2f3i s ARG 84 CO 0.04 -0.02 1.84 0.00 0.02 0.00 0.00 175.30 177.18 2f3i h ALA 85 N 4.36 1.00 -1.66 2.13 0.00 -1.91 -2.90 119.26 120.27 2f3i h ALA 85 Ca -0.34 0.00 0.48 0.00 0.00 0.00 0.00 54.91 55.06 2f3i h ALA 85 Cb 1.20 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2f3i h ALA 85 CO 0.45 0.00 1.24 0.22 0.00 0.00 0.00 179.25 181.16 2f3i h ASP 86 N 0.00 0.00 -0.87 0.00 3.58 -1.94 0.52 116.42 117.71 2f3i h ASP 86 Ca 0.00 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.65 2f3i h ASP 86 Cb 0.19 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.12 2f3i h ASP 86 CO 0.00 0.00 0.36 1.56 -2.88 0.00 0.00 179.24 178.28 2f3i h GLN 87 N 0.00 0.39 0.00 0.28 4.20 -1.86 -3.35 115.11 114.77 2f3i h GLN 87 Ca 0.79 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.48 2f3i h GLN 87 Cb 3.27 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 30.96 2f3i h GLN 87 CO -0.01 0.26 0.00 1.19 -0.67 0.00 0.00 178.83 179.60 2f3i n PHE 88 N -5.05 0.00 -2.56 2.96 3.72 -0.55 -0.94 117.46 115.04 2f3i n PHE 88 Ca 0.20 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.63 2f3i n PHE 88 Cb 0.60 0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.17 2f3i n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2f3i n GLU 89 N 0.00 0.32 -1.20 -1.08 1.02 0.06 -4.75 120.64 115.01 2f3i n GLU 89 Ca 0.00 -2.28 -0.36 0.00 -0.02 0.00 0.00 57.16 54.51 2f3i n GLU 89 Cb 0.23 -0.29 -0.03 0.00 -0.02 0.00 0.00 31.44 31.33 2f3i n GLU 89 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2f3i n TYR 90 N 0.30 2.20 -2.74 -0.32 9.36 -0.58 -4.69 117.16 120.69 2f3i n TYR 90 Ca 0.06 -2.87 -0.35 0.00 3.32 0.00 0.00 57.90 58.06 2f3i n TYR 90 Cb 1.08 -2.34 -0.06 0.00 -0.63 0.00 0.00 39.34 37.40 2f3i n TYR 90 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f3i s VAL 91 N 2.38 4.17 0.33 2.97 0.11 -1.26 -1.34 120.40 127.75 2f3i s VAL 91 Ca 0.64 1.52 -0.17 0.00 -2.93 0.00 0.00 61.98 61.05 2f3i s VAL 91 Cb 0.17 -3.72 0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2f3i s VAL 91 CO -0.05 -0.12 0.72 -0.32 -3.33 0.00 0.00 175.10 171.99 2f3i s MET 92 N -2.75 1.97 0.14 1.54 1.75 0.02 -4.97 119.30 117.00 2f3i s MET 92 Ca 0.58 -1.25 0.08 0.00 -1.25 0.00 0.00 55.69 53.85 2f3i s MET 92 Cb -0.15 0.60 -0.04 0.00 2.84 0.00 0.00 34.83 38.08 2f3i s MET 92 CO 0.19 -0.90 -0.18 0.71 -0.65 0.00 0.00 175.02 174.19 2f3i s TYR 93 N -3.18 1.72 0.00 4.11 2.02 -1.26 -1.81 117.35 118.95 2f3i s TYR 93 Ca 0.15 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2f3i s TYR 93 Cb -0.05 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.63 2f3i s TYR 93 CO 0.10 0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.75 2f3i n GLY 94 N 0.48 3.64 2.65 0.71 0.00 -0.09 -4.12 105.19 108.46 2f3i n GLY 94 Ca -0.15 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2f3i n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f3i s LYS 95 N 0.33 0.05 0.55 1.61 2.47 0.32 -4.59 119.74 120.47 2f3i s LYS 95 Ca 0.00 0.08 -0.19 0.00 -1.56 0.00 0.00 55.97 54.30 2f3i s LYS 95 Cb 0.00 -1.41 -0.06 0.00 -1.46 0.00 0.00 37.83 34.91 2f3i s LYS 95 CO 0.00 -0.58 1.14 0.54 0.16 0.00 0.00 175.35 176.61 2f3i s VAL 96 N 2.18 3.09 -0.04 4.02 0.11 -1.26 -1.66 120.40 126.84 2f3i s VAL 96 Ca 0.03 0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 59.75 2f3i s VAL 96 Cb -0.15 -3.28 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 2f3i s VAL 96 CO -0.08 -0.14 0.04 -0.31 -3.33 0.00 0.00 175.10 171.28 2f3i s TYR 97 N -1.74 0.13 -0.03 1.54 2.02 0.16 -4.88 117.35 114.55 2f3i s TYR 97 Ca 0.73 0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 57.57 2f3i s TYR 97 Cb -0.25 -0.46 0.01 0.00 -0.40 0.00 0.00 41.96 40.86 2f3i s TYR 97 CO 0.28 -0.18 0.10 0.50 -1.57 0.00 0.00 175.55 174.68 2f3i s ARG 98 N 1.86 0.20 1.01 -0.62 3.00 -1.26 -0.10 118.95 123.03 2f3i s ARG 98 Ca 0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 55.73 54.59 2f3i s ARG 98 Cb -0.12 0.09 0.20 0.00 0.00 0.00 0.00 34.95 35.11 2f3i s ARG 98 CO -0.03 -0.03 1.18 0.96 0.00 0.00 0.00 175.30 177.38 2f3i s ILE 99 N -0.29 1.89 -1.70 4.11 -4.36 -1.12 -4.94 121.20 114.78 2f3i s ILE 99 Ca -0.04 0.00 0.15 0.00 -0.26 0.00 0.00 60.65 60.50 2f3i s ILE 99 Cb -0.03 -2.75 0.34 0.00 1.25 0.00 0.00 42.46 41.27 2f3i s ILE 99 CO 0.00 0.00 1.36 -1.84 0.24 0.00 0.00 174.94 174.70 2f3i n GLU 100 N -4.04 0.33 -3.40 0.37 0.28 -1.26 -4.81 120.64 108.11 2f3i n GLU 100 Ca 0.11 0.08 -0.23 0.00 -0.16 0.00 0.00 57.16 56.96 2f3i n GLU 100 Cb 0.59 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 32.03 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 -0.06 -0.52 3.03 -1.84 0.00 -1.26 -5.02 105.19 99.53 2f3i n GLY 101 Ca 0.09 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 2f3i n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 102 N -3.12 -0.23 -0.01 1.61 2.15 -1.26 -3.47 116.67 112.34 2f3i s ASP 102 Ca 0.49 0.48 0.01 0.00 0.43 0.00 0.00 52.55 53.96 2f3i s ASP 102 Cb -0.22 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 42.79 2f3i s ASP 102 CO 0.61 -0.16 0.72 -1.84 -0.17 0.00 0.00 175.17 174.33 2f3i n GLU 103 N 4.19 0.69 0.08 4.34 0.28 -1.26 -4.92 120.64 124.03 2f3i n GLU 103 Ca -0.25 -0.91 -0.04 0.00 -0.16 0.00 0.00 57.16 55.80 2f3i n GLU 103 Cb 0.53 -0.66 -0.02 0.00 1.43 0.00 0.00 31.44 32.72 2f3i n GLU 103 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2f3i h THR 104 N 2.87 0.00 0.00 3.84 1.35 -1.96 -3.48 112.91 115.53 2f3i h THR 104 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2f3i h THR 104 Cb 0.96 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2f3i h THR 104 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 2f3i n SER 105 N -4.05 0.00 0.00 5.36 7.64 -1.26 -4.90 113.62 116.41 2f3i n SER 105 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2f3i n SER 105 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2f3i n SER 105 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2f3i n THR 106 N 0.00 0.00 0.35 0.44 -1.04 -1.26 -4.89 114.28 107.88 2f3i n THR 106 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 2f3i n THR 106 Cb 0.00 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.03 2f3i n THR 106 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2f3i h GLU 107 N 2.08 0.00 -3.37 -2.82 4.39 -1.99 -3.48 114.58 109.38 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 -0.16 0.00 -1.16 0.00 0.00 179.01 177.69 2f3i n ALA 108 N -1.96 -3.07 -1.48 3.43 0.00 -1.26 -4.98 120.51 111.18 2f3i n ALA 108 Ca 0.02 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 2f3i n ALA 108 Cb 0.33 -0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.58 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 0.02 -0.40 1.48 0.00 0.00 -1.23 -4.89 120.51 115.50 2f3i n ALA 109 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.50 2f3i n ALA 109 Cb 0.01 -2.03 0.77 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.03 0.02 -4.79 0.00 -2.24 -1.26 -4.73 114.28 99.24 2f3i n THR 110 Ca 0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 2f3i n THR 110 Cb 0.48 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.49 1.42 0.11 -0.78 3.00 -1.26 -4.12 118.95 114.82 2f3i s ARG 111 Ca 0.31 -0.71 0.02 0.00 0.00 0.00 0.00 55.73 55.35 2f3i s ARG 111 Cb 0.20 -1.40 -0.04 0.00 0.00 0.00 0.00 34.95 33.71 2f3i s ARG 111 CO 0.44 0.38 0.17 -1.17 0.00 0.00 0.00 175.30 175.12 2f3i s LEU 112 N -0.61 4.07 0.04 2.53 2.96 0.35 -4.59 118.68 123.43 2f3i s LEU 112 Ca 0.07 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2f3i s LEU 112 Cb -0.07 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 2f3i s LEU 112 CO -0.00 0.12 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.61 2f3i s SER 113 N -2.75 1.25 0.05 3.68 0.01 -1.26 -1.67 113.70 113.00 2f3i s SER 113 Ca 0.32 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 2f3i s SER 113 Cb -0.12 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2f3i s SER 113 CO 0.25 -0.04 -0.03 0.00 0.41 0.00 0.00 173.24 173.83 2f3i s ALA 114 N -0.92 0.46 0.14 1.44 0.00 0.19 -2.80 121.76 120.27 2f3i s ALA 114 Ca -0.02 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 50.92 2f3i s ALA 114 Cb -0.08 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2f3i s ALA 114 CO 0.01 -0.32 -0.20 0.71 0.00 0.00 0.00 175.76 175.95 2f3i s TYR 115 N -3.46 1.86 -0.01 0.00 1.51 0.85 -0.70 117.35 117.41 2f3i s TYR 115 Ca 0.03 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2f3i s TYR 115 Cb 0.05 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 2f3i s TYR 115 CO -0.08 0.29 0.03 0.08 -1.11 0.00 0.00 175.55 174.76 2f3i s VAL 116 N -1.63 0.01 -0.06 0.71 1.01 -0.32 -0.67 120.40 119.45 2f3i s VAL 116 Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2f3i s VAL 116 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 2f3i s VAL 116 CO 0.06 -0.05 -0.23 -0.94 0.00 0.00 0.00 175.10 173.94 2f3i s SER 117 N -0.13 3.25 -0.21 3.32 1.04 -0.66 -0.97 113.70 119.34 2f3i s SER 117 Ca -0.02 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 55.90 2f3i s SER 117 Cb -0.01 -0.87 0.11 0.00 0.10 0.00 0.00 66.02 65.34 2f3i s SER 117 CO -0.00 0.25 0.40 -0.72 0.98 0.00 0.00 173.24 174.16 2f3i s TYR 118 N -0.22 -0.81 -1.30 5.02 1.13 -0.29 -0.52 117.35 120.36 2f3i s TYR 118 Ca -0.02 1.29 0.00 0.00 -1.41 0.00 0.00 57.07 56.93 2f3i s TYR 118 Cb -0.13 0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 2f3i s TYR 118 CO 0.03 -0.56 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 2f3i n GLY 119 N 5.38 -0.34 2.18 5.49 0.00 -1.26 -0.71 105.19 115.94 2f3i n GLY 119 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.82 1.13 3.98 -0.02 0.00 -1.26 -5.05 105.19 103.15 2f3i n GLY 120 Ca -0.17 0.00 -0.20 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 3.50 0.05 0.99 1.43 0.11 -5.06 118.68 119.71 2f3i s LEU 121 Ca 0.00 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2f3i s LEU 121 Cb 0.00 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2f3i s LEU 121 CO 0.00 -0.90 -0.04 -0.22 0.23 0.00 0.00 176.35 175.43 2f3i s LEU 122 N -4.58 2.45 0.09 1.79 2.96 -0.75 -1.14 118.68 119.50 2f3i s LEU 122 Ca 0.54 -0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 2f3i s LEU 122 Cb -0.10 0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.72 2f3i s LEU 122 CO 0.36 -0.52 0.25 -0.04 -1.32 0.00 0.00 176.35 175.09 2f3i s MET 123 N -3.44 0.90 -0.02 1.98 -1.94 -0.14 -0.87 119.30 115.77 2f3i s MET 123 Ca 0.04 -0.87 -0.00 0.00 -1.71 0.00 0.00 55.69 53.15 2f3i s MET 123 Cb 0.04 0.37 0.03 0.00 2.01 0.00 0.00 34.83 37.28 2f3i s MET 123 CO -0.07 -0.30 0.03 0.50 -0.01 0.00 0.00 175.02 175.17 2f3i s ARG 124 N -3.76 -0.03 -0.02 2.03 3.52 0.35 -1.17 118.95 119.86 2f3i s ARG 124 Ca 0.04 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2f3i s ARG 124 Cb 0.04 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2f3i s ARG 124 CO -0.11 -0.15 0.01 -1.17 -0.81 0.00 0.00 175.30 173.06 2f3i s LEU 125 N 0.98 1.26 0.02 -0.88 0.20 0.13 -0.62 118.68 119.76 2f3i s LEU 125 Ca -0.08 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.74 2f3i s LEU 125 Cb -0.12 -0.17 -0.01 0.00 -0.43 0.00 0.00 46.19 45.46 2f3i s LEU 125 CO -0.03 -0.09 -0.06 -1.58 -0.29 0.00 0.00 176.35 174.30 2f3i s GLN 126 N 0.89 0.42 0.00 1.98 0.74 -0.56 -0.64 119.66 122.49 2f3i s GLN 126 Ca -0.08 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.90 2f3i s GLN 126 Cb -0.12 -0.29 0.00 0.00 1.10 0.00 0.00 33.01 33.70 2f3i s GLN 126 CO -0.02 0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 2f3i n GLY 127 N 2.28 -1.28 3.67 2.59 0.00 -0.67 -0.72 105.19 111.06 2f3i n GLY 127 Ca -0.17 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 0.36 2.22 -0.07 1.61 2.03 -1.26 -0.49 116.55 120.93 2f3i n ASP 128 Ca 0.00 1.12 -0.08 0.00 0.52 0.00 0.00 54.79 56.36 2f3i n ASP 128 Cb 0.00 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 38.94 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i h ALA 129 N 2.08 -0.11 -0.59 -1.67 0.00 -1.87 0.14 119.26 117.24 2f3i h ALA 129 Ca -0.46 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2f3i h ALA 129 Cb 1.30 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2f3i h ALA 129 CO 0.60 -0.67 0.28 -0.97 0.00 0.00 0.00 179.25 178.49 2f3i h ASN 130 N -0.24 0.74 0.47 0.00 -1.24 -1.92 -0.89 115.58 112.52 2f3i h ASN 130 Ca 0.15 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 2f3i h ASN 130 Cb 0.48 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.34 2f3i h ASN 130 CO -0.44 0.63 -0.09 0.78 -1.29 0.00 0.00 177.43 177.02 2f3i h ASN 131 N 0.83 0.00 0.50 1.15 2.35 -1.57 -0.71 115.58 118.12 2f3i h ASN 131 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2f3i h ASN 131 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2f3i h ASN 131 CO -0.03 0.09 0.00 -0.11 -1.65 0.00 0.00 177.43 175.73 2f3i n LEU 132 N -3.45 0.00 -4.28 1.61 0.00 -0.09 -4.88 117.00 105.92 2f3i n LEU 132 Ca -0.01 0.43 -0.35 0.00 0.00 0.00 0.00 56.01 56.07 2f3i n LEU 132 Cb 0.24 -0.43 -0.05 0.00 0.00 0.00 0.00 43.42 43.18 2f3i n LEU 132 CO 0.28 -0.18 -0.18 1.41 0.00 0.00 0.00 177.39 178.72 2f3i n HIS 133 N -1.43 -1.49 0.00 1.96 8.25 -0.27 -4.86 115.22 117.37 2f3i n HIS 133 Ca 0.05 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 2f3i n HIS 133 Cb 0.18 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.51 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 -1.62 0.42 0.00 -1.41 0.00 -1.26 -4.90 105.19 96.42 2f3i n GLY 134 Ca -0.05 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.67 2f3i n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f3i n PHE 135 N 0.00 0.00 -1.27 1.61 3.72 -1.26 -4.94 117.46 115.32 2f3i n PHE 135 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2f3i n PHE 135 Cb 0.00 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.09 2f3i n PHE 135 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2f3i n GLU 136 N -1.43 -2.21 0.00 -1.08 -0.58 -1.26 -5.06 120.64 109.01 2f3i n GLU 136 Ca 0.03 1.73 0.00 0.00 -0.42 0.00 0.00 57.16 58.50 2f3i n GLU 136 Cb 0.09 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.50 2f3i n GLU 136 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2f3i n VAL 137 N -2.65 0.00 -2.61 2.62 0.24 -1.26 -4.94 118.33 109.73 2f3i n VAL 137 Ca -0.01 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.27 2f3i n VAL 137 Cb 0.29 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.75 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2f3i n ASP 138 N 0.00 -0.97 -0.01 -1.34 2.03 -1.26 -4.60 116.55 110.41 2f3i n ASP 138 Ca 0.00 -1.79 -0.01 0.00 0.52 0.00 0.00 54.79 53.51 2f3i n ASP 138 Cb 0.00 0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 2f3i n ASP 138 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2f3i n SER 139 N -0.98 3.99 0.06 1.67 7.64 -1.26 -4.64 113.62 120.10 2f3i n SER 139 Ca -0.12 -0.01 0.05 0.00 1.01 0.00 0.00 58.87 59.81 2f3i n SER 139 Cb 0.74 0.06 0.26 0.00 -1.01 0.00 0.00 64.21 64.27 2f3i n SER 139 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2f3i n ARG 140 N -2.47 0.06 0.00 1.43 3.00 -1.26 -2.67 116.66 114.75 2f3i n ARG 140 Ca -0.03 0.49 0.13 0.00 -0.00 0.00 0.00 57.85 58.45 2f3i n ARG 140 Cb 0.53 -1.66 0.72 0.00 0.00 0.00 0.00 32.46 32.05 2f3i n ARG 140 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2f3i n VAL 141 N -1.78 0.10 -4.06 5.15 0.24 -1.26 -4.38 118.33 112.33 2f3i n VAL 141 Ca 0.00 0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 62.01 2f3i n VAL 141 Cb 0.06 -0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 31.69 2f3i n VAL 141 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2f3i s TYR 142 N -2.41 2.56 -0.05 6.34 2.02 -1.09 -0.92 117.35 123.80 2f3i s TYR 142 Ca 0.30 -1.55 -0.14 0.00 -0.37 0.00 0.00 57.07 55.31 2f3i s TYR 142 Cb 0.18 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2f3i s TYR 142 CO 0.39 -0.76 0.32 -0.48 -1.57 0.00 0.00 175.55 173.45 2f3i s LEU 143 N 1.36 0.81 -0.01 -1.29 2.34 -0.75 -4.82 118.68 116.32 2f3i s LEU 143 Ca 0.03 0.26 -0.01 0.00 0.06 0.00 0.00 54.13 54.47 2f3i s LEU 143 Cb -0.14 1.24 0.00 0.00 -0.56 0.00 0.00 46.19 46.73 2f3i s LEU 143 CO -0.11 -0.35 0.03 -0.22 -1.06 0.00 0.00 176.35 174.64 2f3i s LEU 144 N -0.89 1.89 0.03 1.48 2.96 -0.30 -0.80 118.68 123.05 2f3i s LEU 144 Ca -0.10 0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 2f3i s LEU 144 Cb -0.04 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.71 2f3i s LEU 144 CO 0.03 -0.01 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.53 2f3i s MET 145 N 0.03 1.35 0.27 1.98 -2.45 -0.45 -0.95 119.30 119.09 2f3i s MET 145 Ca -0.00 -0.88 -0.09 0.00 -1.25 0.00 0.00 55.69 53.47 2f3i s MET 145 Cb -0.00 -1.43 -0.00 0.00 1.25 0.00 0.00 34.83 34.64 2f3i s MET 145 CO -0.00 0.37 0.46 -1.59 1.05 0.00 0.00 175.02 175.30 2f3i s LYS 146 N -1.07 1.64 0.81 4.11 -2.85 -0.45 -1.53 119.74 120.40 2f3i s LYS 146 Ca 0.07 -1.43 -0.13 0.00 -1.00 0.00 0.00 55.97 53.48 2f3i s LYS 146 Cb -0.08 0.45 0.08 0.00 -2.06 0.00 0.00 37.83 36.22 2f3i s LYS 146 CO 0.01 -0.67 1.17 -1.59 0.10 0.00 0.00 175.35 174.37 2f3i s LYS 147 N -3.71 1.73 0.84 1.78 -2.85 -0.12 -0.71 119.74 116.71 2f3i s LYS 147 Ca 0.26 1.60 -0.11 0.00 -1.00 0.00 0.00 55.97 56.73 2f3i s LYS 147 Cb 0.00 -1.80 0.10 0.00 -2.06 0.00 0.00 37.83 34.07 2f3i s LYS 147 CO 0.12 -2.11 1.10 -0.48 0.10 0.00 0.00 175.35 174.08 2f3i s LEU 148 N -5.80 2.75 -0.11 2.77 0.05 -1.26 -4.43 118.68 112.64 2f3i s LEU 148 Ca 0.70 1.81 -0.05 0.00 0.05 0.00 0.00 54.13 56.64 2f3i s LEU 148 Cb -0.25 -4.36 0.05 0.00 -2.05 0.00 0.00 46.19 39.58 2f3i s LEU 148 CO 0.51 -2.46 0.26 0.00 -0.55 0.00 0.00 176.35 174.11 2f3i s ALA 149 N -2.84 -0.59 0.00 1.48 0.00 -1.26 -5.03 121.76 113.51 2f3i s ALA 149 Ca 0.63 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2f3i s ALA 149 Cb -0.19 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2f3i s ALA 149 CO 0.57 -0.21 0.00 1.19 0.00 0.00 0.00 175.76 177.31