#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i n ALA 2 N 0.00 0.00 -2.00 3.17 0.00 0.14 -4.93 120.51 116.89 2f3i n ALA 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2f3i n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2f3i n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f3i n GLY 3 N 0.00 0.23 4.03 0.00 0.00 -1.26 -4.07 105.19 104.13 2f3i n GLY 3 Ca 0.00 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 2f3i n GLY 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2f3i n ILE 4 N -3.89 -1.84 -0.33 -0.61 -5.35 -1.26 -4.84 119.36 101.23 2f3i n ILE 4 Ca -0.06 -0.47 0.22 0.00 -0.27 0.00 0.00 62.75 62.17 2f3i n ILE 4 Cb 0.50 -1.59 0.48 0.00 -1.74 0.00 0.00 39.64 37.29 2f3i n ILE 4 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2f3i h LEU 5 N -1.63 0.50 -7.61 7.28 5.85 -1.95 -3.40 115.31 114.36 2f3i h LEU 5 Ca -0.59 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.06 2f3i h LEU 5 Cb 1.17 0.02 -0.24 0.00 0.37 0.00 0.00 40.66 41.98 2f3i h LEU 5 CO 0.47 0.09 -0.49 0.12 -0.34 0.00 0.00 178.44 178.29 2f3i s PHE 6 N -5.56 -0.13 -0.16 1.25 5.36 -1.26 -5.00 117.98 112.49 2f3i s PHE 6 Ca -0.09 0.29 -0.15 0.00 -0.96 0.00 0.00 56.93 56.02 2f3i s PHE 6 Cb 0.26 0.03 0.04 0.00 -0.34 0.00 0.00 43.02 43.01 2f3i s PHE 6 CO 0.80 -0.17 0.43 -2.00 -1.46 0.00 0.00 175.22 172.81 2f3i s GLU 7 N -0.43 0.49 -0.24 10.12 2.12 -1.26 -3.18 118.70 126.32 2f3i s GLU 7 Ca -0.05 0.60 -0.05 0.00 0.36 0.00 0.00 54.97 55.83 2f3i s GLU 7 Cb -0.03 0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.71 2f3i s GLU 7 CO 0.01 -0.06 0.47 0.34 -0.54 0.00 0.00 175.26 175.47 2f3i s ASP 8 N 0.27 -0.42 0.39 -1.70 2.15 -0.50 -4.92 116.67 111.94 2f3i s ASP 8 Ca -0.00 0.85 -0.25 0.00 0.43 0.00 0.00 52.55 53.57 2f3i s ASP 8 Cb -0.03 1.55 -0.09 0.00 -0.30 0.00 0.00 42.92 44.05 2f3i s ASP 8 CO 0.00 -0.25 1.15 -0.63 -0.17 0.00 0.00 175.17 175.27 2f3i s ILE 9 N 2.67 3.24 0.06 4.11 1.09 -1.26 -1.12 121.20 130.00 2f3i s ILE 9 Ca 0.05 1.05 -0.05 0.00 -1.10 0.00 0.00 60.65 60.60 2f3i s ILE 9 Cb -0.13 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.66 2f3i s ILE 9 CO -0.16 0.10 0.09 0.72 -0.10 0.00 0.00 174.94 175.59 2f3i s PHE 10 N -1.42 0.30 -0.04 3.97 -0.71 0.30 -0.24 117.98 120.15 2f3i s PHE 10 Ca 0.56 -0.75 0.01 0.00 -1.04 0.00 0.00 56.93 55.70 2f3i s PHE 10 Cb -0.30 -0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2f3i s PHE 10 CO 0.38 -0.44 -0.03 0.34 -1.34 0.00 0.00 175.22 174.12 2f3i s ASP 11 N -2.73 0.83 0.09 1.98 2.15 -0.15 -1.65 116.67 117.18 2f3i s ASP 11 Ca 0.04 -0.10 -0.31 0.00 0.43 0.00 0.00 52.55 52.61 2f3i s ASP 11 Cb 0.05 -0.39 -0.08 0.00 -0.30 0.00 0.00 42.92 42.20 2f3i s ASP 11 CO -0.09 -0.07 1.56 -0.69 -0.17 0.00 0.00 175.17 175.71 2f3i s VAL 12 N 0.98 3.08 -0.07 1.11 1.01 -1.26 -1.58 120.40 123.67 2f3i s VAL 12 Ca -0.10 0.63 0.12 0.00 0.00 0.00 0.00 61.98 62.63 2f3i s VAL 12 Cb -0.14 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.66 2f3i s VAL 12 CO -0.01 0.02 0.15 0.29 0.00 0.00 0.00 175.10 175.55 2f3i n LYS 13 N 4.97 1.28 -3.84 2.72 4.76 0.67 -4.94 118.16 123.79 2f3i n LYS 13 Ca 0.14 -0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.43 2f3i n LYS 13 Cb 0.41 -1.31 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 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 -4.05 -0.19 -0.05 4.39 2.15 -0.64 -4.99 116.67 113.29 2f3i s ASP 14 Ca -0.05 -0.64 -0.06 0.00 0.43 0.00 0.00 52.55 52.23 2f3i s ASP 14 Cb 0.06 0.58 0.01 0.00 -0.30 0.00 0.00 42.92 43.27 2f3i s ASP 14 CO 0.52 -1.09 0.15 -0.63 -0.17 0.00 0.00 175.17 173.95 2f3i s ILE 15 N -3.92 0.01 -0.28 4.11 1.09 -1.26 -0.98 121.20 119.97 2f3i s ILE 15 Ca 0.13 -0.11 -0.00 0.00 -1.10 0.00 0.00 60.65 59.57 2f3i s ILE 15 Cb -0.01 -0.26 0.14 0.00 -1.06 0.00 0.00 42.46 41.27 2f3i s ILE 15 CO 0.01 -0.06 0.31 -0.62 -0.10 0.00 0.00 174.94 174.48 2f3i s ASP 16 N -0.16 1.43 0.00 3.58 2.15 -0.10 -4.96 116.67 118.61 2f3i s ASP 16 Ca -0.02 -0.64 0.08 0.00 0.43 0.00 0.00 52.55 52.39 2f3i s ASP 16 Cb -0.02 0.61 0.45 0.00 -0.30 0.00 0.00 42.92 43.65 2f3i s ASP 16 CO 0.00 -0.38 1.00 -2.65 -0.17 0.00 0.00 175.17 172.98 2f3i n PRO 17 N 5.32 0.20 -4.06 4.34 -0.02 -1.26 -1.04 135.00 138.48 2f3i n PRO 17 Ca -0.02 0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 2f3i n PRO 17 Cb 0.47 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.10 -0.86 0.00 -0.52 0.28 -1.26 -0.64 120.64 116.54 2f3i n GLU 18 Ca 0.05 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2f3i n GLU 18 Cb 0.04 -3.47 0.00 0.00 1.43 0.00 0.00 31.44 29.44 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 -1.71 1.04 3.65 -1.84 0.00 -1.26 -4.48 105.19 100.58 2f3i n GLY 19 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.88 -1.33 -0.33 1.61 3.00 0.19 -4.87 118.16 114.55 2f3i n LYS 20 Ca 0.00 0.82 0.15 0.00 -0.00 0.00 0.00 58.31 59.27 2f3i n LYS 20 Cb 0.00 -3.28 0.34 0.00 0.00 0.00 0.00 35.03 32.08 2f3i n LYS 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2f3i h LYS 21 N -0.54 0.53 -4.10 1.64 1.79 -1.74 -3.40 116.57 110.75 2f3i h LYS 21 Ca -0.51 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 57.80 2f3i h LYS 21 Cb 1.31 -0.12 -0.17 0.00 -1.58 0.00 0.00 32.23 31.67 2f3i h LYS 21 CO 0.38 0.35 -0.65 -0.06 -1.08 0.00 0.00 179.45 178.38 2f3i s PHE 22 N -5.84 0.39 -1.56 -1.35 0.40 -1.26 -5.05 117.98 103.71 2f3i s PHE 22 Ca -0.11 -0.83 0.04 0.00 -0.60 0.00 0.00 56.93 55.43 2f3i s PHE 22 Cb 0.26 -0.29 0.20 0.00 0.51 0.00 0.00 43.02 43.70 2f3i s PHE 22 CO 0.79 -0.33 0.89 -0.40 0.70 0.00 0.00 175.22 176.87 2f3i n ASP 23 N 0.60 0.00 -1.05 1.36 5.75 -1.26 -2.43 116.55 119.52 2f3i n ASP 23 Ca -0.17 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2f3i n ASP 23 Cb 0.59 -0.22 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 2f3i n ASP 23 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2f3i n ARG 24 N -1.22 0.00 -4.11 0.11 1.85 -1.26 -5.05 116.66 106.98 2f3i n ARG 24 Ca 0.02 -1.31 -0.22 0.00 -1.00 0.00 0.00 57.85 55.34 2f3i n ARG 24 Cb 0.03 0.02 -0.17 0.00 -1.05 0.00 0.00 32.46 31.29 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 0.00 0.65 0.05 8.89 1.01 -1.02 -0.47 120.40 129.51 2f3i s VAL 25 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2f3i s VAL 25 Cb 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.87 2f3i s VAL 25 CO -0.07 0.27 0.24 -0.44 0.00 0.00 0.00 175.10 175.09 2f3i s SER 26 N 1.20 -0.02 0.36 3.32 0.01 -0.58 -4.31 113.70 113.68 2f3i s SER 26 Ca -0.06 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 56.68 2f3i s SER 26 Cb -0.14 0.33 -0.10 0.00 0.21 0.00 0.00 66.02 66.32 2f3i s SER 26 CO -0.02 -0.61 0.82 -0.60 0.41 0.00 0.00 173.24 173.25 2f3i s ARG 27 N -2.76 4.11 0.05 12.44 3.52 -0.20 -1.59 118.95 134.51 2f3i s ARG 27 Ca -0.04 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.42 2f3i s ARG 27 Cb -0.00 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 2f3i s ARG 27 CO -0.05 0.09 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.01 2f3i s LEU 28 N -3.01 2.43 -0.02 -0.88 1.43 0.53 -0.92 118.68 118.24 2f3i s LEU 28 Ca 0.57 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2f3i s LEU 28 Cb -0.10 0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.36 2f3i s LEU 28 CO 0.16 -0.60 -0.07 -2.28 0.23 0.00 0.00 176.35 173.79 2f3i s HIS 29 N -3.85 0.74 0.15 0.29 5.65 -0.15 -1.14 115.29 116.97 2f3i s HIS 29 Ca 0.06 -0.16 -0.02 0.00 0.25 0.00 0.00 55.06 55.19 2f3i s HIS 29 Cb 0.07 -0.53 -0.04 0.00 -1.18 0.00 0.00 32.58 30.91 2f3i s HIS 29 CO -0.10 -0.07 0.09 0.00 -0.65 0.00 0.00 174.74 174.02 2f3i s GLU 31 N -4.06 0.88 -0.21 0.00 2.56 -0.61 -1.51 118.70 115.74 2f3i s GLU 31 Ca 0.26 -0.96 -0.00 0.00 0.00 0.00 0.00 54.97 54.27 2f3i s GLU 31 Cb 0.07 -0.93 0.02 0.00 2.00 0.00 0.00 34.13 35.29 2f3i s GLU 31 CO 0.03 0.21 -0.13 -1.12 -0.56 0.00 0.00 175.26 173.70 2f3i s SER 32 N -1.68 3.78 0.12 -1.70 0.01 -0.88 -0.98 113.70 112.37 2f3i s SER 32 Ca -0.00 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 2f3i s SER 32 Cb -0.10 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.52 2f3i s SER 32 CO 0.02 -0.06 1.57 -0.08 0.41 0.00 0.00 173.24 175.11 2f3i h GLU 33 N 7.97 0.64 -0.05 12.44 4.81 -0.96 -0.95 114.58 138.47 2f3i h GLU 33 Ca -0.39 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.43 2f3i h GLU 33 Cb 1.12 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.45 2f3i h GLU 33 CO 0.60 0.73 -0.82 0.77 -0.73 0.00 0.00 179.01 179.56 2f3i h SER 34 N 0.46 0.81 0.00 1.04 0.02 -1.92 -3.37 113.55 110.59 2f3i h SER 34 Ca 0.11 -0.70 -0.10 0.00 -0.84 0.00 0.00 61.79 60.26 2f3i h SER 34 Cb 0.43 -0.25 -0.21 0.00 0.14 0.00 0.00 62.40 62.51 2f3i h SER 34 CO 0.01 1.40 -0.78 0.49 -1.14 0.00 0.00 176.83 176.81 2f3i n PHE 35 N -4.00 0.00 -3.42 3.45 3.72 -1.25 -5.03 117.46 110.94 2f3i n PHE 35 Ca -0.10 -0.88 -0.22 0.00 -0.05 0.00 0.00 57.45 56.20 2f3i n PHE 35 Cb 0.77 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.20 -2.59 -2.95 -1.08 -0.00 -0.36 -3.82 118.16 107.15 2f3i n LYS 36 Ca 0.11 0.28 -0.42 0.00 -0.00 0.00 0.00 58.31 58.28 2f3i n LYS 36 Cb 0.94 -4.90 -0.05 0.00 -0.00 0.00 0.00 35.03 31.01 2f3i n LYS 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2f3i s MET 37 N -6.04 3.75 0.13 -1.58 1.75 -1.23 -4.76 119.30 111.31 2f3i s MET 37 Ca 0.40 0.31 -0.30 0.00 -1.25 0.00 0.00 55.69 54.85 2f3i s MET 37 Cb -0.22 -3.81 -0.07 0.00 2.84 0.00 0.00 34.83 33.56 2f3i s MET 37 CO 0.49 -0.85 1.26 0.34 -0.65 0.00 0.00 175.02 175.61 2f3i s ASP 38 N 1.84 6.99 0.01 1.11 2.15 -0.00 -2.08 116.67 126.70 2f3i s ASP 38 Ca 0.31 2.21 0.02 0.00 0.43 0.00 0.00 52.55 55.52 2f3i s ASP 38 Cb -0.13 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.88 2f3i s ASP 38 CO 0.17 -0.49 -0.06 -0.22 -0.17 0.00 0.00 175.17 174.39 2f3i s LEU 39 N 0.53 2.09 0.07 -1.34 2.96 -0.57 -1.57 118.68 120.85 2f3i s LEU 39 Ca 0.58 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 2f3i s LEU 39 Cb -0.33 -0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 2f3i s LEU 39 CO 0.33 -0.02 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.53 2f3i s ILE 40 N -0.55 1.41 -0.06 6.68 -1.09 0.36 -0.96 121.20 126.99 2f3i s ILE 40 Ca -0.02 -1.28 -0.16 0.00 -2.23 0.00 0.00 60.65 56.97 2f3i s ILE 40 Cb -0.05 -1.28 0.03 0.00 -1.58 0.00 0.00 42.46 39.58 2f3i s ILE 40 CO 0.00 -0.03 0.37 -0.76 -1.23 0.00 0.00 174.94 173.29 2f3i s LEU 41 N -1.52 0.61 -0.28 2.97 1.43 -0.29 -1.05 118.68 120.54 2f3i s LEU 41 Ca 0.03 0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2f3i s LEU 41 Cb -0.09 1.40 0.09 0.00 0.03 0.00 0.00 46.19 47.62 2f3i s LEU 41 CO 0.03 -0.35 0.10 -0.62 0.23 0.00 0.00 176.35 175.73 2f3i s ASP 42 N -0.77 3.66 0.13 2.29 2.15 0.39 -0.34 116.67 124.18 2f3i s ASP 42 Ca -0.09 -1.37 -0.08 0.00 0.43 0.00 0.00 52.55 51.44 2f3i s ASP 42 Cb -0.04 -0.63 -0.01 0.00 -0.30 0.00 0.00 42.92 41.94 2f3i s ASP 42 CO 0.03 -0.41 0.22 0.54 -0.17 0.00 0.00 175.17 175.39 2f3i s VAL 43 N 1.83 0.10 0.02 1.11 0.11 -0.62 -1.51 120.40 121.44 2f3i s VAL 43 Ca 0.08 -1.39 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 2f3i s VAL 43 Cb -0.17 -1.70 -0.07 0.00 -1.53 0.00 0.00 36.38 32.91 2f3i s VAL 43 CO -0.26 -0.44 1.58 0.21 -3.33 0.00 0.00 175.10 172.85 2f3i s ASN 44 N -2.94 6.69 0.00 3.54 2.47 -1.26 -1.53 114.94 121.90 2f3i s ASN 44 Ca 0.14 2.32 0.17 0.00 0.42 0.00 0.00 52.86 55.91 2f3i s ASN 44 Cb 0.04 -2.56 0.30 0.00 -1.45 0.00 0.00 41.25 37.59 2f3i s ASN 44 CO -0.03 -0.85 1.21 2.30 -3.72 0.00 0.00 177.10 176.01 2f3i n ILE 45 N 4.88 0.46 0.46 -5.21 -6.64 0.38 -4.36 119.36 109.34 2f3i n ILE 45 Ca 0.15 -0.73 0.07 0.00 -1.77 0.00 0.00 62.75 60.47 2f3i n ILE 45 Cb 0.42 0.96 0.31 0.00 -1.44 0.00 0.00 39.64 39.89 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 1.03 0.02 -0.29 6.28 10.64 -1.25 -1.03 117.38 132.78 2f3i n GLN 46 Ca 0.14 0.28 -0.04 0.00 -1.83 0.00 0.00 57.00 55.56 2f3i n GLN 46 Cb 0.48 -1.54 0.08 0.00 -0.86 0.00 0.00 30.24 28.39 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2f3i h ILE 47 N 0.00 1.19 -4.22 -0.39 2.04 -1.94 -3.44 117.51 110.75 2f3i h ILE 47 Ca 0.00 -0.37 -0.48 0.00 1.00 0.00 0.00 64.86 65.01 2f3i h ILE 47 Cb 0.25 0.03 0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2f3i h ILE 47 CO 0.00 0.19 0.38 -0.31 0.00 0.00 0.00 178.15 178.42 2f3i s TYR 48 N -6.13 3.45 0.28 1.37 2.02 -0.19 -4.97 117.35 113.18 2f3i s TYR 48 Ca -0.13 1.44 0.34 0.00 -0.37 0.00 0.00 57.07 58.36 2f3i s TYR 48 Cb 0.16 -2.80 1.59 0.00 -0.40 0.00 0.00 41.96 40.51 2f3i s TYR 48 CO 0.79 -0.48 2.08 -1.00 -1.57 0.00 0.00 175.55 175.37 2f3i h PRO 49 N 0.67 0.00 -2.68 -1.71 0.13 -1.85 -3.45 132.00 123.11 2f3i h PRO 49 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2f3i h PRO 49 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2f3i h PRO 49 CO 0.61 0.04 0.12 0.54 -0.23 0.00 0.00 178.00 179.08 2f3i s VAL 50 N -3.86 0.02 0.59 1.56 0.11 -1.26 -5.05 120.40 112.50 2f3i s VAL 50 Ca -0.01 -0.13 0.28 0.00 -2.93 0.00 0.00 61.98 59.20 2f3i s VAL 50 Cb 0.11 -0.99 0.37 0.00 -1.53 0.00 0.00 36.38 34.33 2f3i s VAL 50 CO 0.53 -0.07 2.05 -0.78 -3.33 0.00 0.00 175.10 173.49 2f3i h ASP 51 N 2.59 0.00 -0.05 3.54 3.58 -1.87 -0.59 116.42 123.62 2f3i h ASP 51 Ca -0.31 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.15 2f3i h ASP 51 Cb 1.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2f3i h ASP 51 CO 0.40 0.00 0.11 0.25 -2.88 0.00 0.00 179.24 177.12 2f3i h LEU 52 N 0.00 0.00 0.00 2.28 5.85 -1.96 -3.49 115.31 117.99 2f3i h LEU 52 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2f3i h LEU 52 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2f3i h LEU 52 CO -0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2f3i n GLY 53 N -1.24 -0.61 3.73 3.75 0.00 -0.23 -4.93 105.19 105.66 2f3i n GLY 53 Ca -0.02 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.47 -0.25 0.20 1.61 2.15 -1.26 -4.78 116.67 112.87 2f3i s ASP 54 Ca 0.00 -0.61 -0.30 0.00 0.43 0.00 0.00 52.55 52.07 2f3i s ASP 54 Cb 0.00 0.67 -0.08 0.00 -0.30 0.00 0.00 42.92 43.21 2f3i s ASP 54 CO 0.00 -1.24 1.15 -0.54 -0.17 0.00 0.00 175.17 174.37 2f3i s LYS 55 N -3.92 4.54 0.34 4.34 1.02 -1.26 -4.30 119.74 120.50 2f3i s LYS 55 Ca 0.12 1.82 0.07 0.00 0.02 0.00 0.00 55.97 58.00 2f3i s LYS 55 Cb -0.04 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2f3i s LYS 55 CO 0.05 0.00 0.25 -0.06 -0.92 0.00 0.00 175.35 174.67 2f3i s PHE 56 N -0.29 1.74 0.00 3.18 0.08 -0.66 -4.28 117.98 117.75 2f3i s PHE 56 Ca 0.50 -1.61 0.03 0.00 0.12 0.00 0.00 56.93 55.98 2f3i s PHE 56 Cb -0.32 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.35 2f3i s PHE 56 CO 0.37 -0.79 -0.11 -0.98 -0.10 0.00 0.00 175.22 173.62 2f3i s ARG 57 N -3.51 0.84 0.17 0.44 3.03 0.41 -0.54 118.95 119.79 2f3i s ARG 57 Ca 0.38 -0.44 -0.03 0.00 2.03 0.00 0.00 55.73 57.68 2f3i s ARG 57 Cb 0.02 -0.81 -0.05 0.00 -1.03 0.00 0.00 34.95 33.09 2f3i s ARG 57 CO 0.25 0.22 0.38 -1.17 -1.13 0.00 0.00 175.30 173.85 2f3i s LEU 58 N -0.41 4.25 0.00 -1.89 2.96 -0.27 -1.56 118.68 121.76 2f3i s LEU 58 Ca 0.03 0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2f3i s LEU 58 Cb -0.05 -3.24 -0.00 0.00 0.50 0.00 0.00 46.19 43.40 2f3i s LEU 58 CO -0.00 0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 2f3i s VAL 59 N -1.75 0.02 -0.05 1.68 1.01 0.08 -1.42 120.40 119.98 2f3i s VAL 59 Ca 0.40 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2f3i s VAL 59 Cb -0.12 -0.07 0.14 0.00 0.00 0.00 0.00 36.38 36.34 2f3i s VAL 59 CO 0.27 -0.11 1.07 2.30 0.00 0.00 0.00 175.10 178.63 2f3i n ILE 60 N 2.75 0.71 -1.75 2.22 -5.35 -1.19 -1.02 119.36 115.71 2f3i n ILE 60 Ca -0.15 -0.94 -0.42 0.00 -0.27 0.00 0.00 62.75 60.98 2f3i n ILE 60 Cb 0.59 0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 38.74 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i n ALA 61 N -0.49 2.22 -1.71 -1.28 0.00 -1.26 -4.71 120.51 113.28 2f3i n ALA 61 Ca 0.06 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2f3i n ALA 61 Cb 0.71 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 2f3i n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2f3i n SER 62 N 1.03 3.86 -3.72 0.00 2.88 -1.26 -4.74 113.62 111.67 2f3i n SER 62 Ca 0.04 1.06 -0.05 0.00 -1.33 0.00 0.00 58.87 58.59 2f3i n SER 62 Cb 0.38 -1.55 -0.02 0.00 -0.75 0.00 0.00 64.21 62.27 2f3i n SER 62 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2f3i s THR 63 N 1.13 0.00 -0.00 2.46 -1.32 -1.26 -0.69 115.64 115.96 2f3i s THR 63 Ca 0.76 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2f3i s THR 63 Cb -0.53 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2f3i s THR 63 CO 0.33 0.00 0.60 -0.11 -2.21 0.00 0.00 174.62 173.23 2f3i n LEU 64 N -0.43 0.05 -1.75 9.08 7.94 -1.26 -5.03 117.00 125.60 2f3i n LEU 64 Ca -0.07 -0.24 -0.03 0.00 -1.11 0.00 0.00 56.01 54.57 2f3i n LEU 64 Cb 0.61 -0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.55 2f3i n LEU 64 CO 0.13 0.06 -0.03 0.00 -1.11 0.00 0.00 177.39 176.44 2f3i n TYR 65 N -0.02 -1.33 0.31 1.96 4.11 -1.26 -4.82 117.16 116.11 2f3i n TYR 65 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.90 58.10 2f3i n TYR 65 Cb 0.53 -1.39 1.00 0.00 -0.00 0.00 0.00 39.34 39.49 2f3i n TYR 65 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2f3i h GLU 66 N 0.00 0.00 0.00 -3.48 5.08 -1.99 -2.09 114.58 112.11 2f3i h GLU 66 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2f3i h GLU 66 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2f3i h GLU 66 CO 0.09 0.01 -0.11 0.22 -1.00 0.00 0.00 179.01 178.22 2f3i h ASP 67 N 0.00 0.00 0.00 1.42 3.58 -1.99 -3.36 116.42 116.07 2f3i h ASP 67 Ca -0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 2f3i h ASP 67 Cb 0.19 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.12 2f3i h ASP 67 CO 0.00 0.11 -0.23 0.61 -2.88 0.00 0.00 179.24 176.85 2f3i n GLY 68 N -0.37 1.14 3.68 -0.78 0.00 -1.13 -4.94 105.19 102.80 2f3i n GLY 68 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2f3i n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3i s THR 69 N 0.07 2.11 -1.57 2.61 2.01 -0.80 -1.34 115.64 118.73 2f3i s THR 69 Ca 0.05 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 2f3i s THR 69 Cb 0.25 -2.15 0.06 0.00 0.01 0.00 0.00 72.50 70.67 2f3i s THR 69 CO -0.07 -0.04 0.36 0.18 -0.69 0.00 0.00 174.62 174.35 2f3i n LEU 70 N -4.02 -1.50 -3.74 4.42 4.77 -1.26 -0.93 117.00 114.74 2f3i n LEU 70 Ca 0.12 -1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 54.73 2f3i n LEU 70 Cb 0.52 -1.89 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 2f3i n LEU 70 CO 0.49 0.38 -0.19 -0.67 -1.33 0.00 0.00 177.39 176.07 2f3i n ASP 71 N -2.82 -5.07 -3.77 -1.43 2.03 -1.21 -0.59 116.55 103.69 2f3i n ASP 71 Ca -0.19 -0.91 -0.29 0.00 0.52 0.00 0.00 54.79 53.92 2f3i n ASP 71 Cb 0.63 -2.02 -0.01 0.00 -0.72 0.00 0.00 41.12 39.00 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 -2.53 -3.63 0.00 1.67 2.03 -0.45 -1.29 116.55 112.36 2f3i n ASP 72 Ca -0.28 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.36 2f3i n ASP 72 Cb 0.67 -2.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.09 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 -1.30 0.63 0.19 0.27 0.00 -0.11 -4.87 105.19 100.00 2f3i n GLY 73 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 1.76 0.00 -6.62 1.61 4.81 -0.73 -3.48 114.58 111.93 2f3i h GLU 74 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 2f3i h GLU 74 Cb 0.08 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.49 2f3i h GLU 74 CO 0.00 0.39 -0.98 0.98 -0.73 0.00 0.00 179.01 178.67 2f3i n TYR 75 N -3.72 -1.62 -1.73 0.92 9.36 0.24 -4.86 117.16 115.76 2f3i n TYR 75 Ca -0.01 0.26 -0.42 0.00 3.32 0.00 0.00 57.90 61.05 2f3i n TYR 75 Cb 0.47 -3.09 -0.01 0.00 -0.63 0.00 0.00 39.34 36.08 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 -2.41 3.45 -0.20 2.98 2.85 -1.26 -4.70 115.26 115.96 2f3i n ASN 76 Ca -0.11 1.18 0.30 0.00 -0.11 0.00 0.00 54.58 55.84 2f3i n ASN 76 Cb 0.58 -1.56 0.73 0.00 1.24 0.00 0.00 39.78 40.77 2f3i n ASN 76 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2f3i h PRO 77 N 3.67 0.00 0.00 1.20 0.11 -1.97 -0.18 132.00 134.84 2f3i h PRO 77 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2f3i h PRO 77 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2f3i h PRO 77 CO 0.71 0.00 -0.05 1.15 -0.21 0.00 0.00 178.00 179.60 2f3i h THR 78 N 0.00 0.21 0.02 -1.15 2.02 -1.99 0.11 112.91 112.13 2f3i h THR 78 Ca 0.45 -0.38 -0.39 0.00 0.77 0.00 0.00 66.41 66.87 2f3i h THR 78 Cb 1.86 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 69.52 2f3i h THR 78 CO -0.00 0.05 -2.25 -0.67 0.37 0.00 0.00 175.52 173.01 2f3i n ASP 79 N -3.28 1.98 -0.08 4.18 -0.08 -0.14 -4.59 116.55 114.54 2f3i n ASP 79 Ca -0.01 0.16 -0.15 0.00 -1.51 0.00 0.00 54.79 53.28 2f3i n ASP 79 Cb 0.21 -0.70 -0.04 0.00 2.34 0.00 0.00 41.12 42.93 2f3i n ASP 79 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2f3i h ASP 80 N -0.46 0.98 -0.28 1.67 3.58 -1.25 -2.05 116.42 118.61 2f3i h ASP 80 Ca -0.56 -0.54 -0.10 0.00 0.42 0.00 0.00 57.03 56.25 2f3i h ASP 80 Cb 1.74 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.51 2f3i h ASP 80 CO -0.19 1.34 -0.23 0.03 -2.88 0.00 0.00 179.24 177.30 2f3i h ARG 81 N 0.67 0.66 -0.03 0.28 2.47 -1.04 -0.90 114.38 116.50 2f3i h ARG 81 Ca 0.01 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2f3i h ARG 81 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2f3i h ARG 81 CO 0.12 0.93 0.00 -0.35 0.56 0.00 0.00 179.97 181.23 2f3i n PRO 82 N -4.32 1.18 -3.76 0.04 -0.04 -1.26 -4.94 135.00 121.90 2f3i n PRO 82 Ca -0.04 -0.27 -0.23 0.00 -0.04 0.00 0.00 63.50 62.92 2f3i n PRO 82 Cb 0.43 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.58 -1.11 -3.72 3.54 3.41 -0.34 -4.95 113.62 109.87 2f3i n SER 83 Ca 0.18 -0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 57.97 2f3i n SER 83 Cb 0.15 -0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 63.17 2f3i n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f3i s ARG 84 N -5.99 0.94 0.17 4.33 1.70 -0.82 -5.00 118.95 114.28 2f3i s ARG 84 Ca 0.16 -0.68 -0.33 0.00 -0.47 0.00 0.00 55.73 54.40 2f3i s ARG 84 Cb -0.09 0.40 -0.13 0.00 -0.57 0.00 0.00 34.95 34.56 2f3i s ARG 84 CO 0.54 -0.33 1.63 0.00 -1.08 0.00 0.00 175.30 176.06 2f3i n ALA 85 N 0.08 1.81 0.00 7.88 0.00 -1.26 -4.59 120.51 124.43 2f3i n ALA 85 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2f3i n ALA 85 Cb 0.62 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2f3i n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2f3i n ASP 86 N 3.64 3.56 -0.32 0.00 2.03 -1.26 -4.67 116.55 119.54 2f3i n ASP 86 Ca 0.17 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.60 2f3i n ASP 86 Cb 0.31 0.67 0.35 0.00 -0.72 0.00 0.00 41.12 41.73 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 0.71 -3.88 -0.67 4.20 -1.94 -3.43 115.11 110.10 2f3i h GLN 87 Ca 0.00 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 2f3i h GLN 87 Cb 0.08 -0.16 -0.14 0.00 0.30 0.00 0.00 27.48 27.56 2f3i h GLN 87 CO 0.00 0.47 -0.39 -0.59 -0.67 0.00 0.00 178.83 177.65 2f3i s PHE 88 N -5.76 0.26 -0.04 2.96 -0.12 -1.26 -5.06 117.98 108.95 2f3i s PHE 88 Ca -0.10 -0.68 0.06 0.00 -0.05 0.00 0.00 56.93 56.16 2f3i s PHE 88 Cb 0.23 -0.10 -0.24 0.00 -0.63 0.00 0.00 43.02 42.28 2f3i s PHE 88 CO 0.80 -0.57 0.66 0.93 -0.05 0.00 0.00 175.22 176.98 2f3i h GLU 89 N 2.73 0.09 -2.73 1.99 4.39 -1.23 -3.43 114.58 116.40 2f3i h GLU 89 Ca -0.34 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 2f3i h GLU 89 Cb 1.20 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 29.74 2f3i h GLU 89 CO 0.55 0.75 0.00 -0.47 -1.16 0.00 0.00 179.01 178.68 2f3i s TYR 90 N -2.60 -0.41 -0.02 4.33 5.04 -0.47 -4.94 117.35 118.29 2f3i s TYR 90 Ca -0.09 0.51 -0.05 0.00 -2.44 0.00 0.00 57.07 55.00 2f3i s TYR 90 Cb 0.08 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.70 2f3i s TYR 90 CO 0.82 -0.60 0.11 0.14 -1.34 0.00 0.00 175.55 174.68 2f3i s VAL 91 N -2.15 0.05 0.29 3.14 -7.23 -1.26 -0.84 120.40 112.39 2f3i s VAL 91 Ca -0.07 -0.44 -0.20 0.00 -1.81 0.00 0.00 61.98 59.46 2f3i s VAL 91 Cb -0.01 -0.31 0.05 0.00 0.56 0.00 0.00 36.38 36.67 2f3i s VAL 91 CO 0.00 -0.24 0.83 -0.32 -0.31 0.00 0.00 175.10 175.06 2f3i s MET 92 N -0.80 1.79 0.06 4.82 1.75 0.00 -4.99 119.30 121.93 2f3i s MET 92 Ca -0.09 -1.08 0.01 0.00 -1.25 0.00 0.00 55.69 53.28 2f3i s MET 92 Cb -0.05 0.55 -0.03 0.00 2.84 0.00 0.00 34.83 38.14 2f3i s MET 92 CO 0.01 -0.83 -0.05 0.71 -0.65 0.00 0.00 175.02 174.20 2f3i s TYR 93 N -3.02 0.61 0.00 4.11 2.02 -1.26 -1.53 117.35 118.28 2f3i s TYR 93 Ca 0.14 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2f3i s TYR 93 Cb -0.04 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 2f3i s TYR 93 CO 0.08 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 2f3i n GLY 94 N 0.66 2.27 2.85 0.71 0.00 -1.22 -2.54 105.19 107.91 2f3i n GLY 94 Ca -0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 2f3i n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f3i s LYS 95 N 1.21 0.03 0.45 1.61 2.20 0.14 -4.55 119.74 120.83 2f3i s LYS 95 Ca 0.00 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.67 2f3i s LYS 95 Cb 0.00 -0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.02 2f3i s LYS 95 CO 0.00 -0.17 1.04 0.08 -0.36 0.00 0.00 175.35 175.95 2f3i s VAL 96 N 1.11 3.77 -0.41 4.02 1.01 -1.26 -1.80 120.40 126.83 2f3i s VAL 96 Ca -0.09 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.16 2f3i s VAL 96 Cb -0.12 -3.54 0.24 0.00 0.00 0.00 0.00 36.38 32.96 2f3i s VAL 96 CO -0.04 -0.14 0.59 0.00 0.00 0.00 0.00 175.10 175.50 2f3i n TYR 97 N -0.59 -1.05 -4.02 5.22 4.11 0.17 -4.63 117.16 116.36 2f3i n TYR 97 Ca 0.07 -3.15 -0.09 0.00 -0.00 0.00 0.00 57.90 54.73 2f3i n TYR 97 Cb 0.51 0.09 -0.08 0.00 -0.00 0.00 0.00 39.34 39.86 2f3i n TYR 97 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2f3i s ARG 98 N -0.71 0.95 0.01 -3.48 1.81 -1.26 -4.48 118.95 111.79 2f3i s ARG 98 Ca 0.34 -1.23 -0.00 0.00 -1.72 0.00 0.00 55.73 53.12 2f3i s ARG 98 Cb 0.17 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.98 2f3i s ARG 98 CO -0.14 -0.30 0.01 0.44 -0.68 0.00 0.00 175.30 174.63 2f3i n ILE 99 N -0.11 0.00 0.06 1.52 -5.35 -1.26 -4.91 119.36 109.31 2f3i n ILE 99 Ca -0.09 -0.01 0.01 0.00 -0.27 0.00 0.00 62.75 62.39 2f3i n ILE 99 Cb 0.63 -1.64 0.03 0.00 -1.74 0.00 0.00 39.64 36.91 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2f3i n GLU 100 N -1.20 0.03 0.00 6.28 0.28 -1.26 -4.83 120.64 119.94 2f3i n GLU 100 Ca 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2f3i n GLU 100 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 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 -0.95 2.75 3.65 -1.84 0.00 -1.26 -4.81 105.19 102.72 2f3i n GLY 101 Ca 0.01 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2f3i n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 102 N 0.00 6.81 -0.16 1.61 2.15 -1.26 -4.34 116.67 121.48 2f3i s ASP 102 Ca 0.00 1.69 0.21 0.00 0.43 0.00 0.00 52.55 54.88 2f3i s ASP 102 Cb 0.00 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.55 2f3i s ASP 102 CO 0.00 -0.88 1.15 1.21 -0.17 0.00 0.00 175.17 176.48 2f3i n GLU 103 N 6.89 1.30 -4.25 4.34 2.13 -1.26 -5.00 120.64 124.79 2f3i n GLU 103 Ca 0.15 -3.01 -0.19 0.00 0.66 0.00 0.00 57.16 54.77 2f3i n GLU 103 Cb 0.45 -1.10 -0.07 0.00 0.27 0.00 0.00 31.44 30.99 2f3i n GLU 103 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2f3i s THR 104 N -2.44 0.00 0.00 6.31 -1.32 -1.26 -5.06 115.64 111.87 2f3i s THR 104 Ca 0.34 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 2f3i s THR 104 Cb 0.36 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2f3i s THR 104 CO -0.08 0.00 0.16 -1.20 -2.21 0.00 0.00 174.62 171.29 2f3i n SER 105 N -1.60 0.00 0.00 8.08 7.64 -1.26 -4.70 113.62 121.78 2f3i n SER 105 Ca 0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2f3i n SER 105 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 106 N 0.00 0.27 0.00 0.44 -2.24 -1.26 -4.81 114.28 106.68 2f3i n THR 106 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2f3i n THR 106 Cb 0.43 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.13 0.00 -2.41 -0.78 0.28 -1.26 -5.10 120.64 111.23 2f3i n GLU 107 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 2f3i n GLU 107 Cb 0.22 -0.06 -0.03 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 -0.67 -3.56 -1.69 -1.84 0.00 -1.26 -4.90 120.51 106.58 2f3i n ALA 108 Ca 0.00 1.69 -0.44 0.00 0.00 0.00 0.00 53.44 54.70 2f3i n ALA 108 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 19.45 16.12 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 1.23 1.40 0.66 0.00 0.00 -1.26 -4.90 120.51 117.63 2f3i n ALA 109 Ca -0.28 0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2f3i n ALA 109 Cb 0.43 -2.30 0.25 0.00 0.00 0.00 0.00 19.45 17.84 2f3i n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2f3i n THR 110 N 1.46 0.36 -4.38 0.00 -2.24 -1.26 -4.78 114.28 103.45 2f3i n THR 110 Ca 0.09 -0.60 -0.28 0.00 -2.27 0.00 0.00 64.05 60.99 2f3i n THR 110 Cb 0.34 0.85 -0.12 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.64 1.58 -0.09 -0.78 3.00 -1.26 -4.37 118.95 115.39 2f3i s ARG 111 Ca 0.36 -1.37 -0.09 0.00 0.00 0.00 0.00 55.73 54.63 2f3i s ARG 111 Cb 0.21 -1.95 -0.04 0.00 0.00 0.00 0.00 34.95 33.17 2f3i s ARG 111 CO 0.30 0.44 0.21 -1.17 0.00 0.00 0.00 175.30 175.08 2f3i s LEU 112 N -2.36 4.41 0.02 2.53 0.20 0.53 -4.50 118.68 119.51 2f3i s LEU 112 Ca 0.18 0.60 -0.01 0.00 0.69 0.00 0.00 54.13 55.60 2f3i s LEU 112 Cb -0.09 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 2f3i s LEU 112 CO 0.09 0.39 0.15 -0.94 -0.29 0.00 0.00 176.35 175.75 2f3i s SER 113 N -1.04 6.10 -0.05 3.68 1.04 -1.26 -1.55 113.70 120.61 2f3i s SER 113 Ca 0.17 0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 2f3i s SER 113 Cb -0.13 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.16 2f3i s SER 113 CO 0.07 0.23 0.21 0.00 0.98 0.00 0.00 173.24 174.73 2f3i s ALA 114 N -1.34 -0.53 -0.04 5.32 0.00 -0.53 -4.54 121.76 120.10 2f3i s ALA 114 Ca 0.28 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.69 2f3i s ALA 114 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2f3i s ALA 114 CO 0.20 -0.16 -0.22 0.71 0.00 0.00 0.00 175.76 176.30 2f3i s TYR 115 N -0.48 2.05 -0.01 0.00 2.02 -1.26 -0.61 117.35 119.06 2f3i s TYR 115 Ca -0.06 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.09 2f3i s TYR 115 Cb -0.04 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 2f3i s TYR 115 CO 0.01 -0.13 0.08 0.54 -1.57 0.00 0.00 175.55 174.48 2f3i s VAL 116 N -0.26 0.04 -0.11 0.71 0.11 -0.57 -0.66 120.40 119.66 2f3i s VAL 116 Ca 0.01 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 2f3i s VAL 116 Cb -0.11 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 2f3i s VAL 116 CO 0.01 -0.19 -0.18 -0.94 -3.33 0.00 0.00 175.10 170.47 2f3i s SER 117 N -0.60 3.56 -0.14 3.54 1.04 -0.75 -1.64 113.70 118.72 2f3i s SER 117 Ca -0.07 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 2f3i s SER 117 Cb -0.04 -1.49 0.07 0.00 0.10 0.00 0.00 66.02 64.65 2f3i s SER 117 CO 0.00 0.17 0.20 -0.72 0.98 0.00 0.00 173.24 173.87 2f3i s TYR 118 N 0.32 -0.24 -1.70 5.02 1.13 0.20 -0.69 117.35 121.39 2f3i s TYR 118 Ca -0.14 0.50 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 2f3i s TYR 118 Cb -0.17 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.42 2f3i s TYR 118 CO 0.07 -0.41 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 2f3i n GLY 119 N 5.33 1.22 1.17 5.49 0.00 -1.05 -0.77 105.19 116.57 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 0.94 3.99 -0.02 0.00 -1.26 -5.07 105.19 103.35 2f3i n GLY 120 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 3.34 0.00 0.99 2.01 0.05 -5.05 118.68 120.02 2f3i s LEU 121 Ca 0.00 -0.17 -0.14 0.00 0.01 0.00 0.00 54.13 53.83 2f3i s LEU 121 Cb 0.00 -2.70 0.02 0.00 0.01 0.00 0.00 46.19 43.52 2f3i s LEU 121 CO 0.00 -1.11 0.29 -0.22 1.01 0.00 0.00 176.35 176.32 2f3i s LEU 122 N -4.69 0.92 0.08 1.79 0.20 -0.57 -0.63 118.68 115.78 2f3i s LEU 122 Ca 0.58 -0.02 -0.11 0.00 0.69 0.00 0.00 54.13 55.27 2f3i s LEU 122 Cb -0.10 1.25 0.01 0.00 -0.43 0.00 0.00 46.19 46.92 2f3i s LEU 122 CO 0.38 -0.49 0.24 0.00 -0.29 0.00 0.00 176.35 176.18 2f3i s MET 123 N -1.70 0.84 -0.01 1.98 0.23 -0.65 -0.46 119.30 119.53 2f3i s MET 123 Ca -0.11 -0.78 -0.01 0.00 -1.03 0.00 0.00 55.69 53.76 2f3i s MET 123 Cb -0.04 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.62 2f3i s MET 123 CO 0.02 -0.27 0.02 1.03 -2.03 0.00 0.00 175.02 173.79 2f3i s ARG 124 N -3.37 0.02 0.16 3.16 0.52 -0.22 -1.52 118.95 117.70 2f3i s ARG 124 Ca 0.01 0.05 -0.16 0.00 -0.52 0.00 0.00 55.73 55.11 2f3i s ARG 124 Cb 0.02 -0.03 0.03 0.00 0.52 0.00 0.00 34.95 35.50 2f3i s ARG 124 CO -0.08 -0.03 0.45 -0.48 0.02 0.00 0.00 175.30 175.17 2f3i s LEU 125 N 0.17 0.28 -0.10 2.53 2.34 0.22 -0.48 118.68 123.64 2f3i s LEU 125 Ca -0.01 -0.41 -0.01 0.00 0.06 0.00 0.00 54.13 53.76 2f3i s LEU 125 Cb -0.02 1.93 0.03 0.00 -0.56 0.00 0.00 46.19 47.58 2f3i s LEU 125 CO -0.00 -0.93 -0.00 -1.10 -1.06 0.00 0.00 176.35 173.25 2f3i s GLN 126 N -3.84 0.76 0.32 1.48 -0.21 -0.61 -1.45 119.66 116.10 2f3i s GLN 126 Ca 0.06 -0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 2f3i s GLN 126 Cb 0.01 -1.25 0.01 0.00 1.00 0.00 0.00 33.01 32.78 2f3i s GLN 126 CO -0.08 -0.35 0.52 0.20 -2.12 0.00 0.00 175.29 173.46 2f3i s GLY 127 N 1.91 1.00 0.59 3.09 0.00 -0.60 -0.82 107.32 112.49 2f3i s GLY 127 Ca 0.04 -1.19 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 2f3i s GLY 127 CO -0.06 -0.77 1.21 1.34 0.00 0.00 0.00 173.10 174.82 2f3i n ASP 128 N -1.05 1.87 -0.32 1.64 2.03 -1.25 -0.34 116.55 119.13 2f3i n ASP 128 Ca -0.01 0.88 0.16 0.00 0.52 0.00 0.00 54.79 56.34 2f3i n ASP 128 Cb 0.61 -1.51 0.36 0.00 -0.72 0.00 0.00 41.12 39.86 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 0.84 1.57 0.00 -1.67 0.00 -1.89 0.20 119.26 118.32 2f3i h ALA 129 Ca -0.50 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2f3i h ALA 129 Cb 1.34 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2f3i h ALA 129 CO 0.54 -0.43 0.00 0.27 0.00 0.00 0.00 179.25 179.63 2f3i n ASN 130 N -5.08 0.41 0.27 0.00 0.23 -1.26 -1.27 115.26 108.56 2f3i n ASN 130 Ca 0.25 0.57 0.18 0.00 -0.53 0.00 0.00 54.58 55.05 2f3i n ASN 130 Cb 0.76 -0.67 0.82 0.00 -2.08 0.00 0.00 39.78 38.61 2f3i n ASN 130 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2f3i h ASN 131 N 0.00 0.00 -0.59 0.53 -0.73 -0.92 -1.26 115.58 112.61 2f3i h ASN 131 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2f3i h ASN 131 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.06 2f3i h ASN 131 CO 0.00 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.24 2f3i n LEU 132 N -2.94 5.64 -2.19 0.34 7.99 -0.40 -4.99 117.00 120.45 2f3i n LEU 132 Ca -0.00 -2.86 -0.29 0.00 -0.01 0.00 0.00 56.01 52.85 2f3i n LEU 132 Cb 0.21 -0.67 -0.06 0.00 -0.11 0.00 0.00 43.42 42.78 2f3i n LEU 132 CO 0.23 0.66 0.93 1.41 -1.51 0.00 0.00 177.39 179.11 2f3i n HIS 133 N 0.72 0.53 0.00 -1.77 8.25 -0.48 -0.38 115.22 122.09 2f3i n HIS 133 Ca 0.28 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 2f3i n HIS 133 Cb 1.16 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 3.72 1.63 4.00 -1.41 0.00 -1.26 -4.37 105.19 107.50 2f3i n GLY 134 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.54 -0.67 1.61 3.72 0.49 -4.20 117.46 116.87 2f3i n PHE 135 Ca 0.00 0.37 0.08 0.00 -0.05 0.00 0.00 57.45 57.85 2f3i n PHE 135 Cb 0.00 -3.11 -0.04 0.00 -0.94 0.00 0.00 39.48 35.39 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 -4.65 -1.51 -0.03 -1.08 4.71 -1.26 -4.85 120.64 111.97 2f3i n GLU 136 Ca -0.18 1.19 0.00 0.00 -0.01 0.00 0.00 57.16 58.17 2f3i n GLU 136 Cb 0.61 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2f3i n GLU 136 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2f3i n VAL 137 N -3.21 0.00 -0.56 2.62 0.31 -1.26 -4.12 118.33 112.11 2f3i n VAL 137 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2f3i n VAL 137 Cb 0.32 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2f3i n ASP 138 N 0.00 0.00 0.19 4.52 2.03 -1.26 -4.58 116.55 117.44 2f3i n ASP 138 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2f3i n ASP 138 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2f3i n ASP 138 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2f3i h SER 139 N 0.00 -0.93 -0.32 1.67 0.02 -1.73 -3.19 113.55 109.07 2f3i h SER 139 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2f3i h SER 139 Cb 0.00 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2f3i h SER 139 CO 0.00 -0.44 0.00 0.54 -1.14 0.00 0.00 176.83 175.79 2f3i n ARG 140 N -4.42 1.86 0.00 3.45 5.12 -1.26 -3.46 116.66 117.95 2f3i n ARG 140 Ca -0.08 -1.19 0.13 0.00 -1.93 0.00 0.00 57.85 54.78 2f3i n ARG 140 Cb 0.30 -1.32 0.45 0.00 -1.16 0.00 0.00 32.46 30.73 2f3i n ARG 140 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2f3i n VAL 141 N 0.43 0.00 -3.91 1.55 0.31 -1.20 -4.30 118.33 111.21 2f3i n VAL 141 Ca 0.11 -0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 64.07 2f3i n VAL 141 Cb 0.32 0.18 -0.16 0.00 -0.91 0.00 0.00 33.84 33.26 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 -2.57 1.85 -0.06 3.52 2.02 -1.22 -3.46 117.35 117.42 2f3i s TYR 142 Ca 0.24 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2f3i s TYR 142 Cb 0.19 -1.38 0.02 0.00 -0.40 0.00 0.00 41.96 40.40 2f3i s TYR 142 CO 0.53 -0.65 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.65 2f3i s LEU 143 N 1.58 1.16 0.04 -1.29 0.20 -0.59 -4.34 118.68 115.45 2f3i s LEU 143 Ca -0.00 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.70 2f3i s LEU 143 Cb -0.16 -0.52 -0.02 0.00 -0.43 0.00 0.00 46.19 45.06 2f3i s LEU 143 CO -0.08 -0.09 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.59 2f3i s LEU 144 N 1.24 2.21 -0.00 -0.68 0.20 -0.19 -0.82 118.68 120.64 2f3i s LEU 144 Ca -0.06 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.29 2f3i s LEU 144 Cb -0.14 -0.27 0.00 0.00 -0.43 0.00 0.00 46.19 45.36 2f3i s LEU 144 CO -0.02 -0.12 -0.00 -0.32 -0.29 0.00 0.00 176.35 175.60 2f3i s MET 145 N -1.32 0.04 0.13 1.98 -2.45 -0.02 -0.74 119.30 116.92 2f3i s MET 145 Ca -0.06 0.01 -0.09 0.00 -1.25 0.00 0.00 55.69 54.31 2f3i s MET 145 Cb -0.09 -0.09 -0.01 0.00 1.25 0.00 0.00 34.83 35.90 2f3i s MET 145 CO 0.01 -0.02 0.23 0.21 1.05 0.00 0.00 175.02 176.50 2f3i s LYS 146 N 0.17 1.00 0.82 4.11 2.20 -0.60 -0.77 119.74 126.67 2f3i s LYS 146 Ca -0.01 -1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 54.38 2f3i s LYS 146 Cb -0.02 0.36 0.06 0.00 -1.51 0.00 0.00 37.83 36.71 2f3i s LYS 146 CO -0.00 -0.35 0.94 0.36 -0.36 0.00 0.00 175.35 175.94 2f3i n LYS 147 N -0.14 0.09 -1.11 4.03 2.85 -1.26 -0.45 118.16 122.17 2f3i n LYS 147 Ca -0.11 0.10 -0.31 0.00 -1.05 0.00 0.00 58.31 56.94 2f3i n LYS 147 Cb 0.63 -2.23 0.11 0.00 -0.65 0.00 0.00 35.03 32.89 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 -3.95 2.98 -0.13 -5.58 0.05 -1.26 -4.45 118.68 106.34 2f3i s LEU 148 Ca 0.69 1.91 -0.06 0.00 0.05 0.00 0.00 54.13 56.72 2f3i s LEU 148 Cb -0.29 -4.53 0.06 0.00 -2.05 0.00 0.00 46.19 39.38 2f3i s LEU 148 CO 0.55 -2.32 0.30 0.00 -0.55 0.00 0.00 176.35 174.33 2f3i s ALA 149 N -2.84 -0.70 0.00 1.48 0.00 -1.26 -5.02 121.76 113.41 2f3i s ALA 149 Ca 0.63 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2f3i s ALA 149 Cb -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2f3i s ALA 149 CO 0.57 -0.40 0.00 1.19 0.00 0.00 0.00 175.76 177.11