#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 -1.09 0.12 3.04 0.00 -1.26 -4.53 121.76 118.04 2f3i s ALA 2 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2f3i s ALA 2 Cb 0.00 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 2f3i s ALA 2 CO 0.00 -1.02 0.24 0.20 0.00 0.00 0.00 175.76 175.18 2f3i s GLY 3 N -2.99 0.23 0.55 0.00 0.00 -0.61 -4.97 107.32 99.54 2f3i s GLY 3 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2f3i s GLY 3 CO 0.08 -0.79 0.00 1.39 0.00 0.00 0.00 173.10 173.78 2f3i n ILE 4 N -0.13 -1.61 -3.70 0.90 2.08 -1.26 -0.48 119.36 115.15 2f3i n ILE 4 Ca -0.12 1.05 -0.14 0.00 0.56 0.00 0.00 62.75 64.11 2f3i n ILE 4 Cb 0.63 -1.67 -0.09 0.00 -0.75 0.00 0.00 39.64 37.75 2f3i n ILE 4 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2f3i s LEU 5 N -6.17 0.19 0.00 1.39 2.96 -1.26 -4.19 118.68 111.61 2f3i s LEU 5 Ca 0.00 0.80 -0.12 0.00 -0.22 0.00 0.00 54.13 54.59 2f3i s LEU 5 Cb 0.00 1.68 0.01 0.00 0.50 0.00 0.00 46.19 48.39 2f3i s LEU 5 CO 0.00 -0.26 0.25 0.12 -1.32 0.00 0.00 176.35 175.14 2f3i s PHE 6 N -0.15 -0.08 -0.13 5.38 5.36 -0.15 -4.98 117.98 123.23 2f3i s PHE 6 Ca -0.03 0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 55.88 2f3i s PHE 6 Cb -0.03 0.04 0.04 0.00 -0.34 0.00 0.00 43.02 42.72 2f3i s PHE 6 CO 0.02 -0.38 0.34 -2.00 -1.46 0.00 0.00 175.22 171.75 2f3i s GLU 7 N -1.61 0.38 -0.17 10.12 2.12 -1.26 -1.59 118.70 126.69 2f3i s GLU 7 Ca -0.12 0.52 -0.18 0.00 0.36 0.00 0.00 54.97 55.55 2f3i s GLU 7 Cb -0.05 0.15 0.05 0.00 0.26 0.00 0.00 34.13 34.53 2f3i s GLU 7 CO 0.02 -0.07 0.49 0.34 -0.54 0.00 0.00 175.26 175.50 2f3i s ASP 8 N 0.40 -0.50 -0.09 -1.70 2.15 -0.36 -5.01 116.67 111.56 2f3i s ASP 8 Ca -0.02 0.94 -0.02 0.00 0.43 0.00 0.00 52.55 53.89 2f3i s ASP 8 Cb -0.04 0.96 -0.03 0.00 -0.30 0.00 0.00 42.92 43.51 2f3i s ASP 8 CO -0.02 -0.20 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.14 2f3i s ILE 9 N 0.12 4.21 0.10 4.11 1.09 -1.26 -0.45 121.20 129.12 2f3i s ILE 9 Ca -0.01 -0.28 0.02 0.00 -1.10 0.00 0.00 60.65 59.28 2f3i s ILE 9 Cb -0.03 -2.77 -0.04 0.00 -1.06 0.00 0.00 42.46 38.55 2f3i s ILE 9 CO 0.01 0.59 -0.08 0.72 -0.10 0.00 0.00 174.94 176.09 2f3i s PHE 10 N -0.77 0.93 -0.05 3.97 -0.12 0.10 -0.57 117.98 121.47 2f3i s PHE 10 Ca 0.12 -0.81 0.04 0.00 -0.05 0.00 0.00 56.93 56.23 2f3i s PHE 10 Cb -0.11 -0.52 -0.00 0.00 -0.63 0.00 0.00 43.02 41.75 2f3i s PHE 10 CO 0.02 -0.10 -0.18 0.34 -0.05 0.00 0.00 175.22 175.25 2f3i s ASP 11 N -2.79 2.28 0.47 1.98 2.15 -0.31 -1.56 116.67 118.90 2f3i s ASP 11 Ca 0.09 -0.37 -0.23 0.00 0.43 0.00 0.00 52.55 52.46 2f3i s ASP 11 Cb 0.02 -0.65 -0.07 0.00 -0.30 0.00 0.00 42.92 41.92 2f3i s ASP 11 CO -0.03 0.16 1.18 0.54 -0.17 0.00 0.00 175.17 176.85 2f3i s VAL 12 N 0.03 3.03 0.00 1.11 0.11 -1.22 -1.21 120.40 122.24 2f3i s VAL 12 Ca -0.04 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 2f3i s VAL 12 Cb -0.12 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2f3i s VAL 12 CO 0.02 -0.02 0.00 0.29 -3.33 0.00 0.00 175.10 172.07 2f3i n LYS 13 N -0.56 2.80 -3.67 1.54 4.76 0.99 -4.87 118.16 119.14 2f3i n LYS 13 Ca 0.08 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 2f3i n LYS 13 Cb 0.48 -0.87 -0.03 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 -2.37 -0.34 -0.03 4.39 2.15 -0.60 -4.96 116.67 114.92 2f3i s ASP 14 Ca 0.00 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 2f3i s ASP 14 Cb 0.00 0.61 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 2f3i s ASP 14 CO 0.00 -1.08 0.06 -0.63 -0.17 0.00 0.00 175.17 173.35 2f3i s ILE 15 N -3.85 -0.01 -0.31 4.11 1.09 -1.26 -1.30 121.20 119.67 2f3i s ILE 15 Ca 0.07 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.66 2f3i s ILE 15 Cb -0.02 -0.10 0.14 0.00 -1.06 0.00 0.00 42.46 41.42 2f3i s ILE 15 CO -0.04 0.02 0.30 -0.62 -0.10 0.00 0.00 174.94 174.49 2f3i s ASP 16 N 0.25 1.75 0.00 3.58 2.15 0.42 -4.99 116.67 119.83 2f3i s ASP 16 Ca -0.02 -1.00 0.00 0.00 0.43 0.00 0.00 52.55 51.96 2f3i s ASP 16 Cb -0.03 0.43 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 2f3i s ASP 16 CO -0.01 -0.37 0.03 -2.65 -0.17 0.00 0.00 175.17 172.00 2f3i n PRO 17 N 5.06 0.03 0.00 4.34 -0.02 -1.26 -0.63 135.00 142.52 2f3i n PRO 17 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 2f3i n PRO 17 Cb 0.45 -1.30 0.10 0.00 -0.02 0.00 0.00 33.50 32.74 2f3i n PRO 17 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f3i n GLU 18 N 0.79 0.02 0.00 -0.52 0.28 -1.26 -1.86 120.64 118.08 2f3i n GLU 18 Ca 0.00 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2f3i n GLU 18 Cb 0.01 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.38 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2f3i n GLY 19 N -0.99 -0.66 0.10 -1.84 0.00 -1.23 -4.57 105.19 96.00 2f3i n GLY 19 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2f3i n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2f3i n LYS 20 N -0.46 0.02 -0.02 1.61 3.00 -0.78 -1.19 118.16 120.34 2f3i n LYS 20 Ca 0.00 0.34 0.17 0.00 -0.00 0.00 0.00 58.31 58.82 2f3i n LYS 20 Cb 0.01 -2.08 0.62 0.00 0.00 0.00 0.00 35.03 33.58 2f3i n LYS 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2f3i h LYS 21 N 0.00 0.14 -3.34 1.64 1.63 -1.89 -3.32 116.57 111.42 2f3i h LYS 21 Ca 0.00 -0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.30 2f3i h LYS 21 Cb 1.02 -0.03 -0.40 0.00 -0.60 0.00 0.00 32.23 32.22 2f3i h LYS 21 CO 0.00 0.09 -0.76 -0.06 -3.45 0.00 0.00 179.45 175.27 2f3i s PHE 22 N -5.15 0.67 0.55 1.91 0.08 -0.34 -5.06 117.98 110.65 2f3i s PHE 22 Ca -0.06 -0.62 0.24 0.00 0.12 0.00 0.00 56.93 56.61 2f3i s PHE 22 Cb 0.20 -0.88 1.47 0.00 -0.57 0.00 0.00 43.02 43.23 2f3i s PHE 22 CO 0.73 -0.56 2.08 0.22 -0.10 0.00 0.00 175.22 177.59 2f3i h ASP 23 N 8.32 0.00 0.00 1.36 3.58 -1.77 0.25 116.42 128.16 2f3i h ASP 23 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2f3i h ASP 23 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2f3i h ASP 23 CO 0.32 0.00 0.00 -2.11 -2.88 0.00 0.00 179.24 174.57 2f3i n ARG 24 N -4.20 0.60 -5.20 0.28 1.85 -1.26 -4.73 116.66 104.00 2f3i n ARG 24 Ca 0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.57 2f3i n ARG 24 Cb 0.35 -1.26 -0.16 0.00 -1.05 0.00 0.00 32.46 30.33 2f3i n ARG 24 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2f3i s VAL 25 N -2.00 1.97 0.01 8.89 1.01 0.07 -0.39 120.40 129.96 2f3i s VAL 25 Ca 0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2f3i s VAL 25 Cb 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2f3i s VAL 25 CO 0.12 0.55 0.17 -0.44 0.00 0.00 0.00 175.10 175.50 2f3i s SER 26 N -0.10 0.02 0.35 3.32 0.01 -0.56 -3.51 113.70 113.22 2f3i s SER 26 Ca -0.05 -0.24 -0.26 0.00 1.31 0.00 0.00 55.95 56.70 2f3i s SER 26 Cb -0.14 0.24 -0.09 0.00 0.21 0.00 0.00 66.02 66.24 2f3i s SER 26 CO 0.04 -0.44 1.11 -0.60 0.41 0.00 0.00 173.24 173.75 2f3i s ARG 27 N -1.81 4.31 0.07 12.44 3.52 0.20 -1.48 118.95 136.20 2f3i s ARG 27 Ca -0.11 1.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.24 2f3i s ARG 27 Cb -0.05 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 2f3i s ARG 27 CO -0.00 -0.07 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.84 2f3i s LEU 28 N -2.15 2.40 -0.03 -0.88 1.02 0.46 -0.44 118.68 119.06 2f3i s LEU 28 Ca 0.53 -0.80 0.02 0.00 0.02 0.00 0.00 54.13 53.90 2f3i s LEU 28 Cb -0.29 -0.08 0.00 0.00 0.02 0.00 0.00 46.19 45.85 2f3i s LEU 28 CO 0.36 -0.37 -0.09 -2.28 0.02 0.00 0.00 176.35 173.99 2f3i s HIS 29 N -2.67 1.00 0.16 0.29 5.65 -0.42 -1.21 115.29 118.09 2f3i s HIS 29 Ca 0.02 -0.26 -0.02 0.00 0.25 0.00 0.00 55.06 55.04 2f3i s HIS 29 Cb -0.01 -0.72 -0.04 0.00 -1.18 0.00 0.00 32.58 30.63 2f3i s HIS 29 CO -0.03 -0.12 0.12 0.00 -0.65 0.00 0.00 174.74 174.06 2f3i s GLU 31 N -4.08 0.58 0.06 0.00 2.12 -0.35 -1.53 118.70 115.51 2f3i s GLU 31 Ca 0.28 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 2f3i s GLU 31 Cb 0.07 -0.65 -0.05 0.00 0.26 0.00 0.00 34.13 33.75 2f3i s GLU 31 CO 0.05 -0.09 1.10 -1.12 -0.54 0.00 0.00 175.26 174.66 2f3i s SER 32 N 0.88 7.22 0.06 -1.70 0.01 -0.66 -1.16 113.70 118.36 2f3i s SER 32 Ca -0.10 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 58.97 2f3i s SER 32 Cb -0.13 -2.58 -0.31 0.00 0.21 0.00 0.00 66.02 63.21 2f3i s SER 32 CO -0.01 -0.35 1.09 -0.33 0.41 0.00 0.00 173.24 174.05 2f3i h GLU 33 N 6.51 0.35 0.00 12.44 5.08 -1.19 -3.34 114.58 134.44 2f3i h GLU 33 Ca -0.42 -0.60 -0.07 0.00 -1.00 0.00 0.00 59.36 57.27 2f3i h GLU 33 Cb 1.22 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2f3i h GLU 33 CO 0.77 1.29 -0.34 0.77 -1.00 0.00 0.00 179.01 180.50 2f3i h SER 34 N 0.10 0.00 0.00 1.42 0.02 -1.93 -3.43 113.55 109.72 2f3i h SER 34 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2f3i h SER 34 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2f3i h SER 34 CO 0.22 0.34 0.00 0.49 -1.14 0.00 0.00 176.83 176.74 2f3i n PHE 35 N -4.07 0.00 -1.43 3.45 3.72 -1.26 -5.09 117.46 112.79 2f3i n PHE 35 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f3i n PHE 35 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.32 -1.08 2.85 -1.25 -5.01 118.16 111.34 2f3i n LYS 36 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2f3i n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2f3i s MET 37 N 0.00 4.40 0.01 -1.58 -1.94 -1.26 -4.85 119.30 114.09 2f3i s MET 37 Ca 0.00 1.93 -0.20 0.00 -1.71 0.00 0.00 55.69 55.70 2f3i s MET 37 Cb 0.00 -3.01 -0.06 0.00 2.01 0.00 0.00 34.83 33.77 2f3i s MET 37 CO 0.00 -0.04 0.60 0.34 -0.01 0.00 0.00 175.02 175.90 2f3i s ASP 38 N -0.84 7.01 0.00 3.03 2.15 -0.58 -1.65 116.67 125.79 2f3i s ASP 38 Ca 0.49 1.20 0.01 0.00 0.43 0.00 0.00 52.55 54.68 2f3i s ASP 38 Cb -0.34 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 39.91 2f3i s ASP 38 CO 0.44 0.13 -0.04 -0.22 -0.17 0.00 0.00 175.17 175.31 2f3i s LEU 39 N -0.37 2.04 0.06 -1.34 2.96 -0.58 -1.47 118.68 119.98 2f3i s LEU 39 Ca 0.31 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 2f3i s LEU 39 Cb -0.19 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2f3i s LEU 39 CO 0.18 0.01 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.43 2f3i s ILE 40 N -0.29 1.27 0.16 6.68 -1.09 0.25 -0.81 121.20 127.38 2f3i s ILE 40 Ca -0.00 -1.21 -0.05 0.00 -2.23 0.00 0.00 60.65 57.15 2f3i s ILE 40 Cb -0.03 -1.17 -0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2f3i s ILE 40 CO -0.00 -0.06 0.20 -0.76 -1.23 0.00 0.00 174.94 173.09 2f3i s LEU 41 N -1.47 1.23 -0.33 2.97 1.02 -0.35 -1.08 118.68 120.68 2f3i s LEU 41 Ca 0.02 -1.07 -0.01 0.00 0.02 0.00 0.00 54.13 53.09 2f3i s LEU 41 Cb -0.09 0.81 0.11 0.00 0.02 0.00 0.00 46.19 47.04 2f3i s LEU 41 CO 0.02 -0.85 0.16 -0.62 0.02 0.00 0.00 176.35 175.08 2f3i s ASP 42 N -3.03 3.52 0.07 2.29 2.15 0.20 -0.40 116.67 121.48 2f3i s ASP 42 Ca 0.23 -1.76 -0.01 0.00 0.43 0.00 0.00 52.55 51.44 2f3i s ASP 42 Cb 0.05 -0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 42.06 2f3i s ASP 42 CO 0.03 -0.38 -0.02 0.54 -0.17 0.00 0.00 175.17 175.17 2f3i s VAL 43 N 1.51 0.26 0.15 1.11 0.11 -0.55 -1.56 120.40 121.44 2f3i s VAL 43 Ca 0.13 -1.85 -0.31 0.00 -2.93 0.00 0.00 61.98 57.01 2f3i s VAL 43 Cb -0.19 -1.66 -0.10 0.00 -1.53 0.00 0.00 36.38 32.90 2f3i s VAL 43 CO -0.20 -0.87 1.68 0.21 -3.33 0.00 0.00 175.10 172.59 2f3i s ASN 44 N -2.96 6.50 0.00 3.54 3.84 -1.26 -1.50 114.94 123.09 2f3i s ASN 44 Ca 0.11 2.69 0.17 0.00 0.21 0.00 0.00 52.86 56.05 2f3i s ASN 44 Cb 0.08 -2.58 0.16 0.00 -0.55 0.00 0.00 41.25 38.35 2f3i s ASN 44 CO -0.07 -0.91 1.07 2.30 -2.79 0.00 0.00 177.10 176.70 2f3i n ILE 45 N 4.27 0.07 0.32 -5.21 -6.64 0.47 -4.51 119.36 108.13 2f3i n ILE 45 Ca 0.16 -0.54 0.15 0.00 -1.77 0.00 0.00 62.75 60.75 2f3i n ILE 45 Cb 0.38 1.30 0.66 0.00 -1.44 0.00 0.00 39.64 40.54 2f3i n ILE 45 CO 0.00 0.00 0.00 0.06 -1.77 0.00 0.00 176.55 174.84 2f3i h GLN 46 N 3.39 0.00 -0.28 6.28 3.07 -1.93 -0.77 115.11 124.87 2f3i h GLN 46 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 2f3i h GLN 46 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.28 2f3i h GLN 46 CO 0.00 0.00 -0.22 0.82 0.09 0.00 0.00 178.83 179.52 2f3i h ILE 47 N 0.00 1.26 -4.08 1.86 2.04 -1.95 -3.45 117.51 113.20 2f3i h ILE 47 Ca 0.00 -1.23 -0.51 0.00 1.00 0.00 0.00 64.86 64.12 2f3i h ILE 47 Cb 0.36 1.29 0.08 0.00 -0.74 0.00 0.00 36.82 37.81 2f3i h ILE 47 CO 0.00 0.40 0.44 -0.31 0.00 0.00 0.00 178.15 178.68 2f3i s TYR 48 N -4.56 2.64 0.00 1.37 1.51 -0.30 -4.90 117.35 113.12 2f3i s TYR 48 Ca -0.07 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.53 2f3i s TYR 48 Cb 0.14 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 2f3i s TYR 48 CO 0.79 -1.67 0.95 -0.35 -1.11 0.00 0.00 175.55 174.16 2f3i n PRO 49 N -1.28 0.89 -4.17 -1.71 -0.04 -1.26 -4.78 135.00 122.65 2f3i n PRO 49 Ca 0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 2f3i n PRO 49 Cb 0.50 -1.06 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 2f3i n PRO 49 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2f3i n VAL 50 N 0.63 -1.95 -4.24 0.52 0.24 -1.26 -4.97 118.33 107.31 2f3i n VAL 50 Ca 0.00 -0.52 -0.15 0.00 -2.04 0.00 0.00 64.34 61.63 2f3i n VAL 50 Cb 0.44 -1.73 -0.09 0.00 -1.47 0.00 0.00 33.84 30.99 2f3i n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2f3i s ASP 51 N -4.28 0.72 0.45 -1.34 2.15 -1.26 -5.07 116.67 108.04 2f3i s ASP 51 Ca 0.06 -1.50 0.20 0.00 0.43 0.00 0.00 52.55 51.74 2f3i s ASP 51 Cb -0.03 0.42 1.17 0.00 -0.30 0.00 0.00 42.92 44.18 2f3i s ASP 51 CO 0.96 -0.90 1.87 0.25 -0.17 0.00 0.00 175.17 177.18 2f3i h LEU 52 N 2.45 0.31 -7.29 -1.34 5.85 -2.03 -3.44 115.31 109.81 2f3i h LEU 52 Ca -0.33 0.03 0.32 0.00 0.84 0.00 0.00 57.88 58.74 2f3i h LEU 52 Cb 1.24 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 2f3i h LEU 52 CO 0.49 0.12 0.81 -0.83 -0.34 0.00 0.00 178.44 178.69 2f3i s GLY 53 N -3.87 -0.38 0.30 3.75 0.00 -1.26 -5.01 107.32 100.85 2f3i s GLY 53 Ca -0.07 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.07 2f3i s GLY 53 CO 0.78 0.39 0.71 -0.35 0.00 0.00 0.00 173.10 174.62 2f3i s ASP 54 N -3.02 -0.15 0.09 1.64 2.15 -1.26 -4.93 116.67 111.19 2f3i s ASP 54 Ca 0.15 -0.80 0.06 0.00 0.43 0.00 0.00 52.55 52.40 2f3i s ASP 54 Cb 0.04 0.74 -0.04 0.00 -0.30 0.00 0.00 42.92 43.37 2f3i s ASP 54 CO -0.03 -1.41 -0.09 -0.54 -0.17 0.00 0.00 175.17 172.93 2f3i s LYS 55 N -3.52 2.21 0.26 4.34 1.02 -1.26 -3.45 119.74 119.34 2f3i s LYS 55 Ca 0.14 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.17 2f3i s LYS 55 Cb -0.05 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2f3i s LYS 55 CO 0.09 0.52 0.23 -0.06 -0.92 0.00 0.00 175.35 175.21 2f3i s PHE 56 N -1.18 1.29 -0.06 3.18 0.40 -0.60 -3.51 117.98 117.50 2f3i s PHE 56 Ca 0.21 -1.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.14 2f3i s PHE 56 Cb -0.11 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.92 2f3i s PHE 56 CO 0.13 -0.78 -0.10 0.50 0.70 0.00 0.00 175.22 175.67 2f3i s ARG 57 N -3.83 1.46 0.05 0.44 3.52 0.51 -0.72 118.95 120.38 2f3i s ARG 57 Ca 0.38 -0.32 -0.16 0.00 -0.13 0.00 0.00 55.73 55.50 2f3i s ARG 57 Cb 0.04 -1.27 -0.06 0.00 -1.56 0.00 0.00 34.95 32.10 2f3i s ARG 57 CO 0.17 -0.02 0.48 -1.17 -0.81 0.00 0.00 175.30 173.96 2f3i s LEU 58 N 0.80 4.46 0.03 -0.88 2.96 0.40 -1.45 118.68 125.00 2f3i s LEU 58 Ca -0.12 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 2f3i s LEU 58 Cb -0.15 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 2f3i s LEU 58 CO 0.02 0.26 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 2f3i s VAL 59 N -1.17 0.63 -0.05 1.68 1.01 -0.05 -1.23 120.40 121.22 2f3i s VAL 59 Ca 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2f3i s VAL 59 Cb -0.17 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2f3i s VAL 59 CO 0.17 -0.18 -0.03 -0.63 0.00 0.00 0.00 175.10 174.43 2f3i s ILE 60 N -0.96 0.46 -0.19 2.22 1.01 -0.62 -1.07 121.20 122.04 2f3i s ILE 60 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 2f3i s ILE 60 Cb -0.08 -0.52 0.06 0.00 0.01 0.00 0.00 42.46 41.94 2f3i s ILE 60 CO 0.00 0.22 0.47 0.00 0.00 0.00 0.00 174.94 175.64 2f3i s ALA 61 N 1.14 -1.22 -0.98 9.38 0.00 -1.26 -0.98 121.76 127.84 2f3i s ALA 61 Ca -0.08 1.67 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 2f3i s ALA 61 Cb -0.14 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2f3i s ALA 61 CO -0.01 -0.28 1.58 -1.12 0.00 0.00 0.00 175.76 175.92 2f3i s SER 62 N 1.30 6.14 0.50 0.00 0.01 0.37 -4.57 113.70 117.44 2f3i s SER 62 Ca -0.08 -1.22 0.19 0.00 1.31 0.00 0.00 55.95 56.15 2f3i s SER 62 Cb -0.07 -2.57 1.28 0.00 0.21 0.00 0.00 66.02 64.88 2f3i s SER 62 CO -0.12 -1.84 2.10 0.74 0.41 0.00 0.00 173.24 174.53 2f3i h THR 63 N 6.90 0.92 -2.83 1.44 2.02 -1.82 -1.62 112.91 117.92 2f3i h THR 63 Ca 0.16 -0.31 -0.27 0.00 0.77 0.00 0.00 66.41 66.77 2f3i h THR 63 Cb 1.01 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 2f3i h THR 63 CO 1.37 0.08 -0.31 0.18 0.37 0.00 0.00 175.52 177.22 2f3i n LEU 64 N -4.23 -1.14 -4.82 2.58 4.77 -1.26 -4.42 117.00 108.48 2f3i n LEU 64 Ca -0.03 0.23 -0.32 0.00 -0.03 0.00 0.00 56.01 55.86 2f3i n LEU 64 Cb 0.17 -2.16 0.01 0.00 -2.33 0.00 0.00 43.42 39.11 2f3i n LEU 64 CO 0.33 -0.35 0.71 -0.47 -1.33 0.00 0.00 177.39 176.28 2f3i s TYR 65 N -2.46 3.14 0.05 -1.77 5.04 -1.26 -5.09 117.35 115.00 2f3i s TYR 65 Ca 0.00 1.47 -0.02 0.00 -2.44 0.00 0.00 57.07 56.08 2f3i s TYR 65 Cb 0.00 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 39.35 2f3i s TYR 65 CO 0.00 -0.97 -0.01 -1.83 -1.34 0.00 0.00 175.55 171.39 2f3i s GLU 66 N -4.36 0.61 0.60 4.97 -1.05 -1.26 -5.05 118.70 113.16 2f3i s GLU 66 Ca 0.61 -1.17 0.32 0.00 -0.15 0.00 0.00 54.97 54.59 2f3i s GLU 66 Cb -0.14 0.21 1.92 0.00 -0.44 0.00 0.00 34.13 35.68 2f3i s GLU 66 CO 0.41 -0.12 2.27 0.22 0.95 0.00 0.00 175.26 178.99 2f3i h ASP 67 N 3.20 0.00 -0.59 0.83 3.58 -1.96 -1.20 116.42 120.28 2f3i h ASP 67 Ca -0.34 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 56.87 2f3i h ASP 67 Cb 1.15 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.05 2f3i h ASP 67 CO 0.64 0.01 0.20 0.61 -2.88 0.00 0.00 179.24 177.82 2f3i n GLY 68 N -1.23 4.36 0.28 -0.78 0.00 -1.26 -4.12 105.19 102.44 2f3i n GLY 68 Ca -0.03 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 1.55 0.72 -3.49 2.61 2.02 -1.58 -3.43 112.91 111.32 2f3i h THR 69 Ca 0.30 -0.13 -0.31 0.00 0.77 0.00 0.00 66.41 67.04 2f3i h THR 69 Cb 2.09 1.08 -0.15 0.00 -1.74 0.00 0.00 68.15 69.43 2f3i h THR 69 CO 0.62 0.03 -0.70 -0.76 0.37 0.00 0.00 175.52 175.09 2f3i s LEU 70 N -8.11 2.47 -0.04 2.58 1.43 -1.26 -5.05 118.68 110.70 2f3i s LEU 70 Ca -0.05 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 51.99 2f3i s LEU 70 Cb 0.15 -0.27 -0.11 0.00 0.03 0.00 0.00 46.19 46.00 2f3i s LEU 70 CO 0.60 -0.39 2.77 -0.67 0.23 0.00 0.00 176.35 178.89 2f3i n ASP 71 N -0.19 5.41 0.00 2.29 2.03 -1.26 -3.41 116.55 121.42 2f3i n ASP 71 Ca -0.10 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.70 2f3i n ASP 71 Cb 0.61 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 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 1.86 -0.09 0.00 1.67 2.03 -1.26 -4.96 116.55 115.81 2f3i n ASP 72 Ca 0.23 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2f3i n ASP 72 Cb 0.70 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 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 -1.40 2.91 2.77 0.27 0.00 -1.22 -4.88 105.19 103.64 2f3i n GLY 73 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 2f3i n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3i n GLU 74 N 0.00 1.52 -1.68 1.61 2.13 -1.26 -4.79 120.64 118.17 2f3i n GLU 74 Ca 0.00 -2.98 -0.45 0.00 0.66 0.00 0.00 57.16 54.39 2f3i n GLU 74 Cb 0.00 -1.10 -0.04 0.00 0.27 0.00 0.00 31.44 30.57 2f3i n GLU 74 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2f3i n TYR 75 N -0.65 2.45 -3.36 4.31 9.36 -1.26 -4.95 117.16 123.06 2f3i n TYR 75 Ca 0.03 -0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.98 2f3i n TYR 75 Cb 0.82 -2.66 -0.10 0.00 -0.63 0.00 0.00 39.34 36.77 2f3i n TYR 75 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2f3i n ASN 76 N 5.32 -0.51 0.14 2.98 2.85 -1.26 -4.70 115.26 120.08 2f3i n ASN 76 Ca 0.19 -2.40 0.13 0.00 -0.11 0.00 0.00 54.58 52.38 2f3i n ASN 76 Cb 0.33 -0.51 0.50 0.00 1.24 0.00 0.00 39.78 41.34 2f3i n ASN 76 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2f3i h PRO 77 N 5.50 0.00 -2.86 1.20 0.13 -1.92 -3.43 132.00 130.62 2f3i h PRO 77 Ca 0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.30 2f3i h PRO 77 Cb 0.91 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.86 2f3i h PRO 77 CO 0.37 0.00 -0.09 0.99 -0.23 0.00 0.00 178.00 179.04 2f3i s THR 78 N -3.32 0.05 0.26 1.56 2.01 -1.26 -5.05 115.64 109.88 2f3i s THR 78 Ca 0.05 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2f3i s THR 78 Cb 0.10 -0.88 0.26 0.00 0.01 0.00 0.00 72.50 71.99 2f3i s THR 78 CO 0.44 -0.21 1.67 -0.78 -0.69 0.00 0.00 174.62 175.05 2f3i h ASP 79 N 3.20 -0.01 0.17 3.53 3.58 -2.02 -0.97 116.42 123.91 2f3i h ASP 79 Ca -0.30 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2f3i h ASP 79 Cb 1.19 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2f3i h ASP 79 CO 0.42 -0.08 -0.21 -0.90 -2.88 0.00 0.00 179.24 175.58 2f3i n ASP 80 N -5.19 1.20 -4.72 2.28 5.75 -1.26 -4.65 116.55 109.96 2f3i n ASP 80 Ca 0.17 -1.06 -0.42 0.00 -0.01 0.00 0.00 54.79 53.47 2f3i n ASP 80 Cb 0.53 0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 2f3i n ASP 80 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2f3i s ARG 81 N -2.39 4.57 0.00 0.11 1.81 -0.37 -3.96 118.95 118.72 2f3i s ARG 81 Ca 0.27 1.55 0.00 0.00 -1.72 0.00 0.00 55.73 55.82 2f3i s ARG 81 Cb 0.20 -3.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.31 2f3i s ARG 81 CO 0.48 -0.01 0.00 -2.30 -0.68 0.00 0.00 175.30 172.79 2f3i n PRO 82 N 3.40 -0.89 -1.36 3.54 -0.02 -1.26 -4.65 135.00 133.76 2f3i n PRO 82 Ca 0.05 -0.08 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 2f3i n PRO 82 Cb 0.49 0.14 0.11 0.00 -0.02 0.00 0.00 33.50 34.22 2f3i n PRO 82 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2f3i n SER 83 N 0.35 0.28 -4.56 2.55 3.41 -1.25 -4.82 113.62 109.58 2f3i n SER 83 Ca 0.00 -1.41 -0.29 0.00 -0.26 0.00 0.00 58.87 56.91 2f3i n SER 83 Cb 0.00 -0.57 0.22 0.00 -0.26 0.00 0.00 64.21 63.60 2f3i n SER 83 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2f3i s ARG 84 N -4.61 -0.29 0.23 4.33 0.52 -1.26 -4.93 118.95 112.93 2f3i s ARG 84 Ca 0.45 0.91 -0.07 0.00 -0.52 0.00 0.00 55.73 56.51 2f3i s ARG 84 Cb -0.02 -1.62 0.35 0.00 0.52 0.00 0.00 34.95 34.18 2f3i s ARG 84 CO 0.31 -3.33 1.76 0.00 0.02 0.00 0.00 175.30 174.07 2f3i h ALA 85 N -2.34 0.96 0.00 2.13 0.00 -1.97 -3.45 119.26 114.58 2f3i h ALA 85 Ca -0.57 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2f3i h ALA 85 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2f3i h ALA 85 CO 0.50 -0.12 0.00 -3.47 0.00 0.00 0.00 179.25 176.16 2f3i n ASP 86 N -4.92 0.00 0.26 0.00 2.03 -1.26 -4.49 116.55 108.16 2f3i n ASP 86 Ca 0.11 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.60 2f3i n ASP 86 Cb 0.31 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.56 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 -4.82 -0.67 4.20 -2.00 -3.42 115.11 108.40 2f3i h GLN 87 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 2f3i h GLN 87 Cb 0.00 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.54 2f3i h GLN 87 CO 0.00 0.00 -0.76 -0.06 -0.67 0.00 0.00 178.83 177.34 2f3i s PHE 88 N -3.78 0.85 -0.22 2.96 0.08 -1.26 -5.06 117.98 111.55 2f3i s PHE 88 Ca -0.02 -0.35 0.28 0.00 0.12 0.00 0.00 56.93 56.97 2f3i s PHE 88 Cb 0.10 -0.51 0.83 0.00 -0.57 0.00 0.00 43.02 42.87 2f3i s PHE 88 CO 0.40 -0.02 1.78 0.93 -0.10 0.00 0.00 175.22 178.22 2f3i h GLU 89 N 5.01 0.00 -3.73 0.44 5.08 -1.67 -3.44 114.58 116.26 2f3i h GLU 89 Ca -0.35 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.81 2f3i h GLU 89 Cb 1.19 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.19 2f3i h GLU 89 CO 0.44 0.00 -0.67 -0.47 -1.00 0.00 0.00 179.01 177.31 2f3i s TYR 90 N -3.41 0.05 -0.07 4.33 5.04 -0.41 -4.99 117.35 117.89 2f3i s TYR 90 Ca 0.04 -0.09 -0.07 0.00 -2.44 0.00 0.00 57.07 54.51 2f3i s TYR 90 Cb 0.07 -0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.35 2f3i s TYR 90 CO 0.60 -0.08 0.20 0.54 -1.34 0.00 0.00 175.55 175.47 2f3i s VAL 91 N -0.48 0.01 0.17 3.14 0.11 -1.26 -1.28 120.40 120.81 2f3i s VAL 91 Ca -0.05 -0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.78 2f3i s VAL 91 Cb -0.03 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 2f3i s VAL 91 CO -0.00 -0.03 0.48 -0.32 -3.33 0.00 0.00 175.10 171.90 2f3i s MET 92 N -0.01 1.27 0.15 1.54 0.00 0.14 -4.99 119.30 117.40 2f3i s MET 92 Ca -0.01 -0.81 0.10 0.00 0.00 0.00 0.00 55.69 54.97 2f3i s MET 92 Cb -0.02 0.50 -0.04 0.00 0.00 0.00 0.00 34.83 35.27 2f3i s MET 92 CO 0.00 -0.53 -0.24 0.71 0.00 0.00 0.00 175.02 174.97 2f3i s TYR 93 N -3.85 2.14 0.00 4.11 2.02 -1.26 -1.40 117.35 119.12 2f3i s TYR 93 Ca 0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2f3i s TYR 93 Cb 0.00 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.45 2f3i s TYR 93 CO -0.06 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 2f3i n GLY 94 N 0.62 4.40 3.30 0.71 0.00 0.01 -2.78 105.19 111.45 2f3i n GLY 94 Ca -0.16 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 4.10 0.56 -0.03 1.61 2.20 0.39 -4.82 119.74 123.75 2f3i s LYS 95 Ca 0.00 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.04 2f3i s LYS 95 Cb 0.00 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 2f3i s LYS 95 CO 0.00 -0.10 -0.18 0.54 -0.36 0.00 0.00 175.35 175.25 2f3i s VAL 96 N -0.22 2.74 -0.40 4.02 0.11 -1.26 -1.18 120.40 124.20 2f3i s VAL 96 Ca -0.04 -0.88 0.12 0.00 -2.93 0.00 0.00 61.98 58.25 2f3i s VAL 96 Cb -0.03 -2.05 0.40 0.00 -1.53 0.00 0.00 36.38 33.17 2f3i s VAL 96 CO 0.02 0.56 0.91 0.00 -3.33 0.00 0.00 175.10 173.27 2f3i n TYR 97 N 2.27 1.76 -1.11 1.54 4.11 -0.30 -4.83 117.16 120.61 2f3i n TYR 97 Ca -0.17 -3.36 -0.30 0.00 -0.00 0.00 0.00 57.90 54.07 2f3i n TYR 97 Cb 0.52 -0.35 0.14 0.00 -0.00 0.00 0.00 39.34 39.64 2f3i n TYR 97 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 2f3i s ARG 98 N -3.05 1.35 0.51 -3.48 1.04 -1.26 -4.21 118.95 109.86 2f3i s ARG 98 Ca 0.39 1.01 0.08 0.00 -1.04 0.00 0.00 55.73 56.16 2f3i s ARG 98 Cb 0.39 -1.81 0.04 0.00 -2.04 0.00 0.00 34.95 31.53 2f3i s ARG 98 CO -0.07 -2.23 0.60 0.96 -0.04 0.00 0.00 175.30 174.52 2f3i s ILE 99 N -2.86 2.32 -1.47 4.99 -4.36 -0.87 -4.95 121.20 113.99 2f3i s ILE 99 Ca 0.64 -1.16 0.19 0.00 -0.26 0.00 0.00 60.65 60.06 2f3i s ILE 99 Cb -0.19 -2.47 0.36 0.00 1.25 0.00 0.00 42.46 41.40 2f3i s ILE 99 CO 0.57 0.00 1.60 -1.84 0.24 0.00 0.00 174.94 175.51 2f3i n GLU 100 N -1.94 0.30 -0.57 0.37 0.28 -1.26 -4.65 120.64 113.18 2f3i n GLU 100 Ca 0.08 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2f3i n GLU 100 Cb 0.62 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 0.35 0.67 2.68 -1.84 0.00 -1.26 -5.00 105.19 100.78 2f3i n GLY 101 Ca 0.10 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.41 1.24 -0.09 1.61 2.15 -1.26 -4.59 116.67 113.33 2f3i s ASP 102 Ca 0.00 0.03 0.15 0.00 0.43 0.00 0.00 52.55 53.15 2f3i s ASP 102 Cb 0.00 -0.17 0.31 0.00 -0.30 0.00 0.00 42.92 42.75 2f3i s ASP 102 CO 0.00 -0.25 1.14 1.21 -0.17 0.00 0.00 175.17 177.10 2f3i n GLU 103 N 5.29 0.73 -3.04 4.34 2.13 -1.26 -5.07 120.64 123.75 2f3i n GLU 103 Ca -0.04 -2.28 -0.11 0.00 0.66 0.00 0.00 57.16 55.39 2f3i n GLU 103 Cb 0.50 -0.89 -0.03 0.00 0.27 0.00 0.00 31.44 31.29 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 -0.48 0.00 0.00 6.31 -2.24 -1.26 -5.05 114.28 111.55 2f3i n THR 104 Ca 0.11 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2f3i n THR 104 Cb 0.81 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.63 0.00 0.00 3.42 7.64 -1.26 -4.89 113.62 116.90 2f3i n SER 105 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2f3i n SER 105 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.39 0.00 -0.32 0.44 -1.04 -1.26 -4.84 114.28 106.88 2f3i n THR 106 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2f3i n THR 106 Cb 0.00 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 68.65 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 0.00 0.97 -5.68 -2.82 3.07 -2.00 -3.47 114.58 104.64 2f3i h GLU 107 Ca 0.00 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 2f3i h GLU 107 Cb 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 2f3i h GLU 107 CO 0.00 0.64 -0.43 0.00 -1.40 0.00 0.00 179.01 177.81 2f3i n ALA 108 N -2.35 -2.68 -1.45 3.43 0.00 -1.26 -4.87 120.51 111.32 2f3i n ALA 108 Ca 0.13 0.33 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 2f3i n ALA 108 Cb 0.18 -2.11 0.05 0.00 0.00 0.00 0.00 19.45 17.56 2f3i n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3i n ALA 109 N -1.33 -0.97 -1.60 0.00 0.00 -1.26 -4.97 120.51 110.39 2f3i n ALA 109 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2f3i n ALA 109 Cb 0.54 -1.89 0.09 0.00 0.00 0.00 0.00 19.45 18.19 2f3i n ALA 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2f3i n THR 110 N -1.86 1.13 -4.30 0.00 -1.04 -1.26 -4.82 114.28 102.13 2f3i n THR 110 Ca 0.12 -1.55 -0.18 0.00 -2.04 0.00 0.00 64.05 60.40 2f3i n THR 110 Cb 0.48 0.13 -0.14 0.00 -1.82 0.00 0.00 70.33 68.98 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2f3i s ARG 111 N -1.70 0.76 0.30 -2.82 3.00 -1.26 -4.67 118.95 112.56 2f3i s ARG 111 Ca 0.23 -0.57 -0.26 0.00 0.00 0.00 0.00 55.73 55.13 2f3i s ARG 111 Cb 0.21 -0.72 -0.10 0.00 0.00 0.00 0.00 34.95 34.35 2f3i s ARG 111 CO -0.02 0.18 0.93 -1.17 0.00 0.00 0.00 175.30 175.23 2f3i s LEU 112 N -0.82 4.39 0.01 2.53 2.96 0.17 -4.69 118.68 123.23 2f3i s LEU 112 Ca 0.00 1.83 0.02 0.00 -0.22 0.00 0.00 54.13 55.76 2f3i s LEU 112 Cb -0.06 -3.92 -0.01 0.00 0.50 0.00 0.00 46.19 42.70 2f3i s LEU 112 CO 0.00 -0.02 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.51 2f3i s SER 113 N -1.54 0.73 0.05 3.68 0.01 -1.26 -1.53 113.70 113.84 2f3i s SER 113 Ca 0.48 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2f3i s SER 113 Cb -0.20 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 2f3i s SER 113 CO 0.25 -0.02 -0.04 0.00 0.41 0.00 0.00 173.24 173.84 2f3i s ALA 114 N -0.55 0.49 -0.01 1.44 0.00 -0.04 -2.06 121.76 121.02 2f3i s ALA 114 Ca -0.02 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2f3i s ALA 114 Cb -0.05 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 2f3i s ALA 114 CO 0.00 -0.25 -0.08 0.71 0.00 0.00 0.00 175.76 176.14 2f3i s TYR 115 N -2.94 0.73 0.01 0.00 1.51 -1.26 -1.17 117.35 114.23 2f3i s TYR 115 Ca -0.00 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2f3i s TYR 115 Cb 0.01 -0.48 -0.01 0.00 -0.11 0.00 0.00 41.96 41.37 2f3i s TYR 115 CO -0.06 -0.02 -0.04 0.08 -1.11 0.00 0.00 175.55 174.40 2f3i s VAL 116 N -0.13 0.27 -0.13 0.71 1.01 -0.24 -1.15 120.40 120.75 2f3i s VAL 116 Ca 0.02 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2f3i s VAL 116 Cb -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2f3i s VAL 116 CO -0.00 -0.14 -0.12 -0.44 0.00 0.00 0.00 175.10 174.39 2f3i s SER 117 N -0.66 2.44 -0.15 3.32 0.01 -0.33 -1.30 113.70 117.04 2f3i s SER 117 Ca -0.04 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 2f3i s SER 117 Cb -0.05 -1.05 0.07 0.00 0.21 0.00 0.00 66.02 65.21 2f3i s SER 117 CO -0.00 -0.05 0.22 -0.72 0.41 0.00 0.00 173.24 173.10 2f3i s TYR 118 N 1.39 -0.32 -1.84 2.43 1.13 -0.17 -0.46 117.35 119.52 2f3i s TYR 118 Ca 0.01 0.60 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 2f3i s TYR 118 Cb -0.13 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 2f3i s TYR 118 CO -0.07 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 172.94 2f3i n GLY 119 N 5.33 1.41 1.34 5.49 0.00 -1.12 -0.78 105.19 116.86 2f3i n GLY 119 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.41 1.25 3.93 -0.02 0.00 -1.26 -5.06 105.19 103.61 2f3i n GLY 120 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 2.98 0.05 0.99 2.01 0.04 -5.06 118.68 119.68 2f3i s LEU 121 Ca 0.00 0.54 -0.01 0.00 0.01 0.00 0.00 54.13 54.67 2f3i s LEU 121 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 46.19 42.90 2f3i s LEU 121 CO 0.00 -1.39 -0.03 -0.22 1.01 0.00 0.00 176.35 175.71 2f3i s LEU 122 N -5.14 2.44 0.12 1.79 2.96 -0.60 -1.00 118.68 119.25 2f3i s LEU 122 Ca 0.58 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 2f3i s LEU 122 Cb -0.11 0.15 0.05 0.00 0.50 0.00 0.00 46.19 46.78 2f3i s LEU 122 CO 0.45 -0.52 0.47 0.00 -1.32 0.00 0.00 176.35 175.42 2f3i s MET 123 N -3.36 1.12 0.00 1.98 0.23 -0.42 -0.63 119.30 118.22 2f3i s MET 123 Ca 0.02 -0.58 0.02 0.00 -1.03 0.00 0.00 55.69 54.12 2f3i s MET 123 Cb 0.04 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.83 2f3i s MET 123 CO -0.08 -0.45 -0.06 0.50 -2.03 0.00 0.00 175.02 172.91 2f3i s ARG 124 N -3.60 0.47 0.04 3.16 3.52 -0.24 -1.08 118.95 121.22 2f3i s ARG 124 Ca 0.01 -0.26 -0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2f3i s ARG 124 Cb 0.01 -0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 32.95 2f3i s ARG 124 CO -0.11 0.12 0.08 -1.17 -0.81 0.00 0.00 175.30 173.41 2f3i s LEU 125 N -0.29 1.85 0.04 -0.88 0.20 -0.32 -0.58 118.68 118.70 2f3i s LEU 125 Ca 0.01 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.32 2f3i s LEU 125 Cb -0.03 0.55 -0.02 0.00 -0.43 0.00 0.00 46.19 46.26 2f3i s LEU 125 CO -0.00 -0.49 -0.08 -1.10 -0.29 0.00 0.00 176.35 174.38 2f3i s GLN 126 N -2.53 0.57 0.05 1.98 -0.21 -0.54 -0.86 119.66 118.11 2f3i s GLN 126 Ca -0.06 -0.70 -0.28 0.00 0.02 0.00 0.00 55.36 54.34 2f3i s GLN 126 Cb -0.02 -0.40 0.09 0.00 1.00 0.00 0.00 33.01 33.69 2f3i s GLN 126 CO -0.04 0.08 1.02 0.20 -2.12 0.00 0.00 175.29 174.43 2f3i s GLY 127 N -1.38 -0.33 -0.53 3.09 0.00 -0.58 -1.52 107.32 106.06 2f3i s GLY 127 Ca -0.07 0.60 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 2f3i s GLY 127 CO 0.01 0.16 1.74 -0.35 0.00 0.00 0.00 173.10 174.66 2f3i s ASP 128 N -2.76 5.62 0.00 1.64 2.15 -1.26 -0.66 116.67 121.40 2f3i s ASP 128 Ca 0.10 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.64 2f3i s ASP 128 Cb -0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2f3i s ASP 128 CO -0.02 -2.06 0.00 0.00 -0.17 0.00 0.00 175.17 172.91 2f3i n ALA 129 N 11.41 0.00 0.16 3.66 0.00 -1.26 -0.56 120.51 133.93 2f3i n ALA 129 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.72 2f3i n ALA 129 Cb 0.50 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.38 2f3i n ALA 129 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2f3i n ASN 130 N 0.00 0.42 -0.18 0.00 6.94 -1.26 -0.90 115.26 120.28 2f3i n ASN 130 Ca 0.00 0.68 -0.08 0.00 -0.02 0.00 0.00 54.58 55.16 2f3i n ASN 130 Cb 0.00 -0.74 0.02 0.00 -2.36 0.00 0.00 39.78 36.69 2f3i n ASN 130 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 2f3i h ASN 131 N 0.00 0.70 -0.86 0.53 2.35 -1.14 -3.15 115.58 114.00 2f3i h ASN 131 Ca 0.00 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2f3i h ASN 131 Cb 0.05 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 2f3i h ASN 131 CO 0.00 0.65 0.57 0.25 -1.65 0.00 0.00 177.43 177.25 2f3i h LEU 132 N 0.69 0.91 0.25 1.61 7.12 -1.24 -3.46 115.31 121.19 2f3i h LEU 132 Ca 0.18 -0.01 -0.37 0.00 0.13 0.00 0.00 57.88 57.81 2f3i h LEU 132 Cb 0.16 -0.21 -0.18 0.00 -0.53 0.00 0.00 40.66 39.90 2f3i h LEU 132 CO -0.02 0.62 -0.53 1.57 -0.13 0.00 0.00 178.44 179.94 2f3i n HIS 133 N -4.46 -1.60 0.00 1.25 -0.00 -1.19 -4.64 115.22 104.58 2f3i n HIS 133 Ca 0.12 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.26 2f3i n HIS 133 Cb 0.13 -1.93 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 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 -0.93 -1.58 0.69 1.57 0.00 -1.26 -4.90 105.19 98.78 2f3i n GLY 134 Ca 0.04 0.71 0.13 0.00 0.00 0.00 0.00 46.02 46.90 2f3i n GLY 134 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2f3i n PHE 135 N 0.00 0.00 -2.39 1.61 1.16 -1.26 -4.30 117.46 112.28 2f3i n PHE 135 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 2f3i n PHE 135 Cb 0.00 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 37.84 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 -2.06 3.96 0.00 3.97 2.56 -1.26 -4.90 118.70 120.97 2f3i s GLU 136 Ca 0.31 1.66 0.03 0.00 0.00 0.00 0.00 54.97 56.97 2f3i s GLU 136 Cb 0.20 -2.48 0.20 0.00 2.00 0.00 0.00 34.13 34.05 2f3i s GLU 136 CO 0.35 -0.36 0.66 1.55 -0.56 0.00 0.00 175.26 176.90 2f3i n VAL 137 N -0.27 0.00 -0.90 3.70 3.14 -1.26 -1.52 118.33 121.22 2f3i n VAL 137 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2f3i n VAL 137 Cb 0.49 -0.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.34 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2f3i n ASP 138 N -0.98 0.20 0.00 6.55 2.03 -1.26 -4.43 116.55 118.66 2f3i n ASP 138 Ca 0.02 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.24 2f3i n ASP 138 Cb 0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.05 0.00 -1.39 1.67 7.64 -0.58 -4.20 113.62 116.72 2f3i n SER 139 Ca 0.00 0.63 -0.05 0.00 1.01 0.00 0.00 58.87 60.46 2f3i n SER 139 Cb 0.46 -0.34 0.12 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.53 2.06 0.00 1.43 1.85 -1.26 -2.91 116.66 116.29 2f3i n ARG 140 Ca 0.00 -1.39 0.14 0.00 -1.00 0.00 0.00 57.85 55.60 2f3i n ARG 140 Cb 0.00 -1.66 0.67 0.00 -1.05 0.00 0.00 32.46 30.42 2f3i n ARG 140 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2f3i n VAL 141 N -0.03 0.00 -3.98 8.89 0.31 -1.26 -4.46 118.33 117.79 2f3i n VAL 141 Ca 0.21 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.22 2f3i n VAL 141 Cb 0.89 -0.24 -0.17 0.00 -0.91 0.00 0.00 33.84 33.42 2f3i n VAL 141 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2f3i s TYR 142 N -2.49 1.90 -0.02 3.52 2.02 -1.15 -0.81 117.35 120.32 2f3i s TYR 142 Ca 0.29 -1.03 -0.02 0.00 -0.37 0.00 0.00 57.07 55.94 2f3i s TYR 142 Cb 0.20 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2f3i s TYR 142 CO 0.47 -0.61 0.05 -1.17 -1.57 0.00 0.00 175.55 172.73 2f3i s LEU 143 N 1.56 1.81 0.06 -1.29 0.20 -0.49 -4.16 118.68 116.37 2f3i s LEU 143 Ca 0.05 0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.90 2f3i s LEU 143 Cb -0.13 0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.82 2f3i s LEU 143 CO -0.10 -0.07 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.09 2f3i s LEU 144 N -0.23 2.43 0.06 -0.68 1.02 -0.23 -0.69 118.68 120.36 2f3i s LEU 144 Ca -0.03 -0.87 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 2f3i s LEU 144 Cb -0.02 0.09 -0.02 0.00 0.02 0.00 0.00 46.19 46.25 2f3i s LEU 144 CO 0.00 -0.48 0.07 -0.04 0.02 0.00 0.00 176.35 175.92 2f3i s MET 145 N -3.25 0.68 0.24 1.70 -1.94 -0.40 -0.87 119.30 115.46 2f3i s MET 145 Ca 0.03 -1.04 -0.13 0.00 -1.71 0.00 0.00 55.69 52.83 2f3i s MET 145 Cb 0.03 0.26 -0.00 0.00 2.01 0.00 0.00 34.83 37.12 2f3i s MET 145 CO -0.06 -0.17 0.48 0.21 -0.01 0.00 0.00 175.02 175.47 2f3i s LYS 146 N -3.63 1.53 1.15 2.03 2.20 -0.53 -1.29 119.74 121.20 2f3i s LYS 146 Ca 0.04 -1.21 -0.13 0.00 -0.36 0.00 0.00 55.97 54.31 2f3i s LYS 146 Cb 0.05 0.48 0.27 0.00 -1.51 0.00 0.00 37.83 37.12 2f3i s LYS 146 CO -0.09 -0.64 1.04 -1.59 -0.36 0.00 0.00 175.35 173.70 2f3i s LYS 147 N -4.00 -0.78 1.08 4.03 -2.85 -1.26 -0.36 119.74 115.60 2f3i s LYS 147 Ca 0.21 0.86 -0.19 0.00 -1.00 0.00 0.00 55.97 55.85 2f3i s LYS 147 Cb -0.01 -1.57 0.06 0.00 -2.06 0.00 0.00 37.83 34.25 2f3i s LYS 147 CO 0.08 -3.64 -0.15 1.47 0.10 0.00 0.00 175.35 173.21 2f3i n LEU 148 N -4.86 -2.25 -0.62 2.77 -0.00 -1.23 -4.10 117.00 106.72 2f3i n LEU 148 Ca 0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2f3i n LEU 148 Cb 0.54 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 2f3i n LEU 148 CO 0.57 -3.15 0.23 0.00 -0.00 0.00 0.00 177.39 175.04 2f3i n ALA 149 N -4.18 2.07 -0.77 1.47 0.00 -1.26 -4.97 120.51 112.87 2f3i n ALA 149 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2f3i n ALA 149 Cb 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2f3i n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69