#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 4.26 -1.73 -5.12 0.00 -1.26 -3.80 120.51 112.86 2f3i n ALA 2 Ca 0.00 -3.47 -0.34 0.00 0.00 0.00 0.00 53.44 49.63 2f3i n ALA 2 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.69 4.76 7.00 0.00 0.00 -1.26 -4.57 105.19 110.43 2f3i n GLY 3 Ca 0.32 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2f3i n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2f3i n ILE 4 N 1.64 0.00 -1.76 -0.61 3.06 -1.26 -4.87 119.36 115.55 2f3i n ILE 4 Ca 0.59 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.84 2f3i n ILE 4 Cb 0.37 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.55 2f3i n ILE 4 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2f3i n LEU 5 N 0.00 0.00 -3.79 9.51 7.94 -1.25 -0.98 117.00 128.44 2f3i n LEU 5 Ca 0.00 -0.66 -0.13 0.00 -1.11 0.00 0.00 56.01 54.11 2f3i n LEU 5 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 2f3i n LEU 5 CO 0.00 0.44 -0.04 0.12 -1.11 0.00 0.00 177.39 176.80 2f3i s PHE 6 N 0.00 -0.17 -0.26 1.96 2.19 -1.26 -4.96 117.98 115.48 2f3i s PHE 6 Ca 0.00 0.31 -0.22 0.00 0.33 0.00 0.00 56.93 57.34 2f3i s PHE 6 Cb 0.00 0.07 0.07 0.00 -1.31 0.00 0.00 43.02 41.85 2f3i s PHE 6 CO 0.00 -0.31 0.69 -2.00 1.83 0.00 0.00 175.22 175.43 2f3i s GLU 7 N -0.97 0.79 0.05 10.12 2.12 -1.26 -1.51 118.70 128.04 2f3i s GLU 7 Ca -0.10 1.02 -0.25 0.00 0.36 0.00 0.00 54.97 56.00 2f3i s GLU 7 Cb -0.05 0.34 0.06 0.00 0.26 0.00 0.00 34.13 34.74 2f3i s GLU 7 CO 0.03 -0.11 0.59 0.34 -0.54 0.00 0.00 175.26 175.57 2f3i s ASP 8 N 0.65 -0.54 0.25 -1.70 -1.08 -0.71 -5.02 116.67 108.52 2f3i s ASP 8 Ca -0.02 0.28 0.04 0.00 -0.52 0.00 0.00 52.55 52.33 2f3i s ASP 8 Cb -0.05 0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 41.92 2f3i s ASP 8 CO -0.04 -0.76 0.38 -0.63 0.52 0.00 0.00 175.17 174.65 2f3i s ILE 9 N -2.45 5.24 0.21 4.11 1.09 -1.26 -1.25 121.20 126.89 2f3i s ILE 9 Ca -0.05 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 58.61 2f3i s ILE 9 Cb -0.01 -3.85 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 2f3i s ILE 9 CO -0.02 -0.34 0.10 -0.36 -0.10 0.00 0.00 174.94 174.22 2f3i s PHE 10 N -2.01 1.29 -0.05 3.97 0.40 -0.29 -0.43 117.98 120.85 2f3i s PHE 10 Ca 0.35 -1.25 0.01 0.00 -0.60 0.00 0.00 56.93 55.44 2f3i s PHE 10 Cb -0.09 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.76 2f3i s PHE 10 CO 0.30 -0.46 -0.05 0.34 0.70 0.00 0.00 175.22 176.05 2f3i s ASP 11 N -3.21 1.06 0.21 1.36 2.15 -0.73 -3.32 116.67 114.18 2f3i s ASP 11 Ca 0.35 -0.14 -0.30 0.00 0.43 0.00 0.00 52.55 52.89 2f3i s ASP 11 Cb 0.07 -0.47 -0.09 0.00 -0.30 0.00 0.00 42.92 42.12 2f3i s ASP 11 CO 0.11 -0.06 1.42 -0.69 -0.17 0.00 0.00 175.17 175.78 2f3i s VAL 12 N 0.99 2.85 -0.18 1.11 1.01 -1.24 -2.49 120.40 122.45 2f3i s VAL 12 Ca -0.10 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.66 2f3i s VAL 12 Cb -0.14 -3.44 -0.18 0.00 0.00 0.00 0.00 36.38 32.62 2f3i s VAL 12 CO -0.00 0.09 -0.05 0.29 0.00 0.00 0.00 175.10 175.43 2f3i n LYS 13 N 2.82 0.96 -3.53 2.72 4.76 0.54 -4.91 118.16 121.52 2f3i n LYS 13 Ca 0.08 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.46 2f3i n LYS 13 Cb 0.41 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 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 -5.48 -0.44 -0.02 4.39 2.15 -1.05 -5.01 116.67 111.21 2f3i s ASP 14 Ca -0.17 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.66 2f3i s ASP 14 Cb 0.06 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2f3i s ASP 14 CO 0.60 -0.98 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.92 2f3i s ILE 15 N -3.79 0.56 -0.41 4.11 1.09 -1.26 -1.62 121.20 119.88 2f3i s ILE 15 Ca 0.03 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.37 2f3i s ILE 15 Cb -0.01 -0.50 0.18 0.00 -1.06 0.00 0.00 42.46 41.07 2f3i s ILE 15 CO -0.10 0.18 0.37 -0.67 -0.10 0.00 0.00 174.94 174.62 2f3i n ASP 16 N 3.20 -0.55 -1.07 3.58 2.03 -0.24 -4.99 116.55 118.51 2f3i n ASP 16 Ca -0.16 -2.42 0.00 0.00 0.52 0.00 0.00 54.79 52.72 2f3i n ASP 16 Cb 0.56 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2f3i n ASP 16 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2f3i n PRO 17 N 2.70 0.37 -0.23 -0.67 -0.02 -1.26 -2.48 135.00 133.41 2f3i n PRO 17 Ca 0.29 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 2f3i n PRO 17 Cb 0.49 -1.31 0.16 0.00 -0.02 0.00 0.00 33.50 32.81 2f3i n PRO 17 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2f3i h GLU 18 N 1.39 0.27 -2.78 -0.52 5.08 -1.93 -3.36 114.58 112.72 2f3i h GLU 18 Ca 0.00 -0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 57.74 2f3i h GLU 18 Cb 0.37 -0.06 -0.40 0.00 0.50 0.00 0.00 28.75 29.16 2f3i h GLU 18 CO 0.00 0.18 -0.76 0.20 -1.00 0.00 0.00 179.01 177.63 2f3i s GLY 19 N -3.45 2.01 -1.14 -3.84 0.00 -1.26 -5.02 107.32 94.62 2f3i s GLY 19 Ca -0.13 -3.05 -0.11 0.00 0.00 0.00 0.00 44.72 41.43 2f3i s GLY 19 CO 0.75 1.58 2.32 0.28 0.00 0.00 0.00 173.10 178.03 2f3i n LYS 20 N 2.62 2.50 -0.33 2.90 4.76 -1.26 -4.54 118.16 124.80 2f3i n LYS 20 Ca 0.21 -1.85 0.06 0.00 -2.87 0.00 0.00 58.31 53.86 2f3i n LYS 20 Cb 0.40 -2.72 0.25 0.00 -1.84 0.00 0.00 35.03 31.12 2f3i n LYS 20 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2f3i h LYS 21 N 6.20 0.97 -4.12 1.97 1.79 -1.95 -3.40 116.57 118.03 2f3i h LYS 21 Ca 0.59 -0.06 -0.34 0.00 -2.18 0.00 0.00 60.65 58.66 2f3i h LYS 21 Cb 0.33 -0.22 -0.31 0.00 -1.58 0.00 0.00 32.23 30.46 2f3i h LYS 21 CO 1.68 0.64 -0.76 -0.06 -1.08 0.00 0.00 179.45 179.87 2f3i s PHE 22 N -5.91 0.48 0.41 -1.35 0.08 -1.26 -5.06 117.98 105.36 2f3i s PHE 22 Ca -0.12 -0.09 0.08 0.00 0.12 0.00 0.00 56.93 56.92 2f3i s PHE 22 Cb 0.21 -0.39 0.85 0.00 -0.57 0.00 0.00 43.02 43.12 2f3i s PHE 22 CO 0.80 -0.07 2.01 0.22 -0.10 0.00 0.00 175.22 178.09 2f3i h ASP 23 N 6.50 0.37 0.00 1.36 3.58 -1.95 -2.48 116.42 123.80 2f3i h ASP 23 Ca -0.33 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2f3i h ASP 23 Cb 1.17 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2f3i h ASP 23 CO 0.49 0.35 0.00 -2.11 -2.88 0.00 0.00 179.24 175.09 2f3i n ARG 24 N -4.41 0.80 -5.14 0.28 1.85 -1.26 -4.74 116.66 104.03 2f3i n ARG 24 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.56 2f3i n ARG 24 Cb 0.13 -1.21 -0.17 0.00 -1.05 0.00 0.00 32.46 30.17 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 1.90 0.09 8.89 1.01 -0.94 -0.34 120.40 129.00 2f3i s VAL 25 Ca 0.16 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2f3i s VAL 25 Cb 0.07 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2f3i s VAL 25 CO 0.12 0.53 0.24 -0.44 0.00 0.00 0.00 175.10 175.55 2f3i s SER 26 N 0.06 0.03 0.47 3.32 0.01 -0.82 -4.77 113.70 112.00 2f3i s SER 26 Ca -0.09 -0.52 -0.21 0.00 1.31 0.00 0.00 55.95 56.44 2f3i s SER 26 Cb -0.15 0.36 -0.08 0.00 0.21 0.00 0.00 66.02 66.36 2f3i s SER 26 CO 0.05 -0.72 1.07 -0.60 0.41 0.00 0.00 173.24 173.45 2f3i s ARG 27 N -3.59 3.80 0.16 12.44 3.52 -1.04 -1.70 118.95 132.55 2f3i s ARG 27 Ca 0.03 1.50 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 2f3i s ARG 27 Cb 0.03 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 2f3i s ARG 27 CO -0.10 -0.45 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.40 2f3i s LEU 28 N -3.28 2.29 -0.03 -0.88 1.43 -0.08 -1.08 118.68 117.05 2f3i s LEU 28 Ca 0.66 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2f3i s LEU 28 Cb -0.21 -0.13 0.02 0.00 0.03 0.00 0.00 46.19 45.91 2f3i s LEU 28 CO 0.25 -0.50 -0.01 -2.28 0.23 0.00 0.00 176.35 174.04 2f3i s HIS 29 N -3.57 0.41 0.13 0.29 5.65 -0.64 -1.54 115.29 116.01 2f3i s HIS 29 Ca 0.20 -0.05 -0.02 0.00 0.25 0.00 0.00 55.06 55.44 2f3i s HIS 29 Cb 0.05 -0.44 -0.03 0.00 -1.18 0.00 0.00 32.58 30.97 2f3i s HIS 29 CO 0.02 -0.13 0.08 0.00 -0.65 0.00 0.00 174.74 174.06 2f3i s GLU 31 N -4.02 0.03 0.55 0.00 2.12 -1.04 -1.49 118.70 114.85 2f3i s GLU 31 Ca 0.22 0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.56 2f3i s GLU 31 Cb 0.07 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.33 2f3i s GLU 31 CO 0.00 -0.07 0.97 -1.54 -0.54 0.00 0.00 175.26 174.08 2f3i s SER 32 N 0.45 6.38 -0.26 -1.70 1.04 -0.80 -1.78 113.70 117.03 2f3i s SER 32 Ca -0.04 1.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.64 2f3i s SER 32 Cb -0.05 -2.44 -0.11 0.00 0.10 0.00 0.00 66.02 63.51 2f3i s SER 32 CO -0.02 -0.71 -0.35 1.21 0.98 0.00 0.00 173.24 174.36 2f3i n GLU 33 N -2.22 0.57 0.20 4.02 2.13 0.43 -4.51 120.64 121.26 2f3i n GLU 33 Ca 0.05 0.25 0.08 0.00 0.66 0.00 0.00 57.16 58.20 2f3i n GLU 33 Cb 0.54 -1.45 0.35 0.00 0.27 0.00 0.00 31.44 31.15 2f3i n GLU 33 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2f3i h SER 34 N -0.97 0.00 0.00 4.31 0.02 -1.97 -3.46 113.55 111.49 2f3i h SER 34 Ca -0.63 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2f3i h SER 34 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2f3i h SER 34 CO -0.38 0.28 0.00 0.49 -1.14 0.00 0.00 176.83 176.08 2f3i n PHE 35 N -3.36 0.00 -1.47 3.45 3.72 -1.26 -5.11 117.46 113.43 2f3i n PHE 35 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2f3i n PHE 35 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 -2.02 -1.08 2.85 -1.26 -4.87 118.16 111.78 2f3i n LYS 36 Ca 0.00 -0.55 -0.34 0.00 -1.05 0.00 0.00 58.31 56.36 2f3i n LYS 36 Cb 0.00 -0.41 0.03 0.00 -0.65 0.00 0.00 35.03 34.00 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 3.06 -0.13 -1.58 -1.94 -1.26 -4.85 119.30 112.60 2f3i s MET 37 Ca 0.00 1.56 0.02 0.00 -1.71 0.00 0.00 55.69 55.56 2f3i s MET 37 Cb 0.00 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.88 2f3i s MET 37 CO 0.00 -1.07 -0.20 0.34 -0.01 0.00 0.00 175.02 174.07 2f3i s ASP 38 N -2.06 2.92 0.03 3.03 2.15 -0.56 -1.90 116.67 120.29 2f3i s ASP 38 Ca 0.71 -0.55 0.02 0.00 0.43 0.00 0.00 52.55 53.15 2f3i s ASP 38 Cb -0.24 -1.34 -0.02 0.00 -0.30 0.00 0.00 42.92 41.02 2f3i s ASP 38 CO 0.34 0.06 -0.06 -0.22 -0.17 0.00 0.00 175.17 175.12 2f3i s LEU 39 N 0.85 2.22 0.03 -1.34 2.96 -0.56 -0.95 118.68 121.90 2f3i s LEU 39 Ca -0.07 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2f3i s LEU 39 Cb -0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.42 2f3i s LEU 39 CO -0.02 -0.20 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.06 2f3i s ILE 40 N -1.24 1.01 0.15 6.68 -1.09 0.40 -1.04 121.20 126.06 2f3i s ILE 40 Ca -0.10 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2f3i s ILE 40 Cb -0.09 -0.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.83 2f3i s ILE 40 CO -0.00 0.02 -0.03 -0.76 -1.23 0.00 0.00 174.94 172.94 2f3i s LEU 41 N -0.99 2.29 -0.21 2.97 1.02 -0.59 -1.47 118.68 121.69 2f3i s LEU 41 Ca 0.01 -1.10 -0.02 0.00 0.02 0.00 0.00 54.13 53.04 2f3i s LEU 41 Cb -0.07 -0.09 0.06 0.00 0.02 0.00 0.00 46.19 46.11 2f3i s LEU 41 CO 0.01 -0.51 0.02 -0.62 0.02 0.00 0.00 176.35 175.27 2f3i s ASP 42 N -3.13 3.22 0.10 2.29 2.15 -0.12 -0.91 116.67 120.28 2f3i s ASP 42 Ca 0.19 -0.97 -0.16 0.00 0.43 0.00 0.00 52.55 52.04 2f3i s ASP 42 Cb 0.05 -0.75 0.03 0.00 -0.30 0.00 0.00 42.92 41.96 2f3i s ASP 42 CO 0.01 -0.30 0.40 0.54 -0.17 0.00 0.00 175.17 175.65 2f3i s VAL 43 N 1.74 0.07 0.10 1.11 0.11 -0.69 -1.55 120.40 121.29 2f3i s VAL 43 Ca -0.01 -0.56 -0.31 0.00 -2.93 0.00 0.00 61.98 58.17 2f3i s VAL 43 Cb -0.17 -1.12 -0.10 0.00 -1.53 0.00 0.00 36.38 33.46 2f3i s VAL 43 CO -0.09 -0.31 1.76 0.21 -3.33 0.00 0.00 175.10 173.34 2f3i s ASN 44 N -2.60 6.49 0.00 3.54 3.84 -1.26 -1.95 114.94 123.00 2f3i s ASN 44 Ca 0.01 2.65 0.17 0.00 0.21 0.00 0.00 52.86 55.90 2f3i s ASN 44 Cb 0.01 -2.57 0.10 0.00 -0.55 0.00 0.00 41.25 38.25 2f3i s ASN 44 CO -0.10 -0.96 1.01 2.30 -2.79 0.00 0.00 177.10 176.57 2f3i n ILE 45 N 4.73 0.00 0.33 -5.21 -6.64 0.54 -4.43 119.36 108.68 2f3i n ILE 45 Ca 0.17 -0.46 0.07 0.00 -1.77 0.00 0.00 62.75 60.76 2f3i n ILE 45 Cb 0.39 1.32 0.32 0.00 -1.44 0.00 0.00 39.64 40.24 2f3i n ILE 45 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2f3i n GLN 46 N 0.72 0.07 -0.29 6.28 10.64 -1.25 -1.39 117.38 132.16 2f3i n GLN 46 Ca 0.09 0.39 -0.06 0.00 -1.83 0.00 0.00 57.00 55.60 2f3i n GLN 46 Cb 0.42 -1.65 0.06 0.00 -0.86 0.00 0.00 30.24 28.21 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 1.26 -4.21 -0.39 2.04 -1.94 -3.43 117.51 110.84 2f3i h ILE 47 Ca 0.00 -0.82 -0.50 0.00 1.00 0.00 0.00 64.86 64.54 2f3i h ILE 47 Cb 0.20 0.32 0.08 0.00 -0.74 0.00 0.00 36.82 36.68 2f3i h ILE 47 CO 0.00 0.34 0.37 -0.31 0.00 0.00 0.00 178.15 178.55 2f3i s TYR 48 N -5.56 2.85 0.05 1.37 2.02 -0.48 -5.00 117.35 112.60 2f3i s TYR 48 Ca -0.12 1.52 -0.26 0.00 -0.37 0.00 0.00 57.07 57.83 2f3i s TYR 48 Cb 0.16 -3.06 -0.17 0.00 -0.40 0.00 0.00 41.96 38.49 2f3i s TYR 48 CO 0.84 -1.35 1.49 -1.00 -1.57 0.00 0.00 175.55 173.96 2f3i h PRO 49 N 0.14 -0.34 0.00 -1.71 0.13 -1.83 -3.48 132.00 124.91 2f3i h PRO 49 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2f3i h PRO 49 Cb 1.23 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2f3i h PRO 49 CO 0.56 -0.11 0.00 1.33 -0.23 0.00 0.00 178.00 179.55 2f3i n VAL 50 N -5.17 0.00 -0.03 1.56 0.24 -1.26 -5.05 118.33 108.62 2f3i n VAL 50 Ca -0.10 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.41 2f3i n VAL 50 Cb 0.21 0.00 0.67 0.00 -1.47 0.00 0.00 33.84 33.26 2f3i n VAL 50 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2f3i h ASP 51 N 0.00 0.04 1.31 -1.34 3.58 -1.97 -3.36 116.42 114.68 2f3i h ASP 51 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 51 Cb 0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2f3i h ASP 51 CO 0.00 0.02 -0.58 0.25 -2.88 0.00 0.00 179.24 176.05 2f3i h LEU 52 N 0.04 0.00 -0.04 2.28 5.85 -1.98 -3.48 115.31 117.99 2f3i h LEU 52 Ca 0.28 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.00 2f3i h LEU 52 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2f3i h LEU 52 CO -0.01 0.02 -0.07 0.61 -0.34 0.00 0.00 178.44 178.64 2f3i n GLY 53 N 1.19 -1.78 3.84 3.75 0.00 -1.26 -4.99 105.19 105.94 2f3i n GLY 53 Ca 0.02 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.31 -0.01 -0.19 1.61 2.15 -1.26 -4.85 116.67 109.80 2f3i s ASP 54 Ca 0.00 -0.89 -0.17 0.00 0.43 0.00 0.00 52.55 51.93 2f3i s ASP 54 Cb 0.00 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.26 2f3i s ASP 54 CO 0.00 -1.34 0.43 -0.54 -0.17 0.00 0.00 175.17 173.55 2f3i s LYS 55 N -2.34 4.20 0.43 4.34 1.02 -1.26 -3.70 119.74 122.42 2f3i s LYS 55 Ca 0.18 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.52 2f3i s LYS 55 Cb -0.04 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2f3i s LYS 55 CO 0.08 -0.03 0.40 -0.06 -0.92 0.00 0.00 175.35 174.83 2f3i s PHE 56 N 1.27 2.61 -0.28 3.18 0.40 -1.21 -2.96 117.98 121.00 2f3i s PHE 56 Ca 0.21 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2f3i s PHE 56 Cb -0.15 -2.17 0.08 0.00 0.51 0.00 0.00 43.02 41.29 2f3i s PHE 56 CO 0.08 -0.19 0.03 0.50 0.70 0.00 0.00 175.22 176.34 2f3i s ARG 57 N -4.17 1.19 0.45 0.44 3.52 0.44 -1.14 118.95 119.68 2f3i s ARG 57 Ca 0.48 -1.14 -0.18 0.00 -0.13 0.00 0.00 55.73 54.76 2f3i s ARG 57 Cb -0.04 -2.46 -0.09 0.00 -1.56 0.00 0.00 34.95 30.80 2f3i s ARG 57 CO 0.28 -0.81 0.93 -1.17 -0.81 0.00 0.00 175.30 173.73 2f3i s LEU 58 N 1.42 3.82 -0.03 -0.88 2.96 -0.38 -0.88 118.68 124.70 2f3i s LEU 58 Ca 0.03 1.57 -0.02 0.00 -0.22 0.00 0.00 54.13 55.50 2f3i s LEU 58 Cb -0.18 -4.45 0.02 0.00 0.50 0.00 0.00 46.19 42.07 2f3i s LEU 58 CO -0.13 -0.44 0.07 -0.69 -1.32 0.00 0.00 176.35 173.84 2f3i s VAL 59 N -2.35 -0.03 -0.16 1.68 1.01 -0.06 -1.73 120.40 118.76 2f3i s VAL 59 Ca 0.59 0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.82 2f3i s VAL 59 Cb -0.10 -0.13 0.36 0.00 0.00 0.00 0.00 36.38 36.51 2f3i s VAL 59 CO 0.22 0.04 1.18 2.30 0.00 0.00 0.00 175.10 178.84 2f3i n ILE 60 N 3.63 1.94 -1.55 2.22 -5.35 -0.57 -1.31 119.36 118.37 2f3i n ILE 60 Ca -0.20 -2.68 -0.54 0.00 -0.27 0.00 0.00 62.75 59.06 2f3i n ILE 60 Cb 0.55 -0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.20 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 -1.16 0.46 -1.25 -1.28 0.00 -0.96 -3.80 120.51 112.50 2f3i n ALA 61 Ca 0.17 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 2f3i n ALA 61 Cb 0.69 -2.36 0.10 0.00 0.00 0.00 0.00 19.45 17.87 2f3i n ALA 61 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2f3i s SER 62 N 5.43 4.08 0.00 0.00 0.01 -0.15 -4.80 113.70 118.27 2f3i s SER 62 Ca 1.05 2.26 0.00 0.00 1.31 0.00 0.00 55.95 60.57 2f3i s SER 62 Cb -1.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 62.65 2f3i s SER 62 CO 0.58 -2.33 0.00 1.07 0.41 0.00 0.00 173.24 172.97 2f3i n THR 63 N -3.00 0.00 0.00 1.44 5.66 -1.25 -4.47 114.28 112.67 2f3i n THR 63 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2f3i n THR 63 Cb 0.51 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 2f3i n THR 63 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2f3i n LEU 64 N -0.04 0.00 -2.44 1.09 0.00 -1.26 -4.63 117.00 109.72 2f3i n LEU 64 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.81 2f3i n LEU 64 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.44 2f3i n LEU 64 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 177.39 177.50 2f3i n TYR 65 N -1.29 2.62 0.29 1.96 0.18 -1.26 -4.30 117.16 115.36 2f3i n TYR 65 Ca 0.00 -2.76 0.18 0.00 1.88 0.00 0.00 57.90 57.20 2f3i n TYR 65 Cb 0.00 -0.21 0.74 0.00 -0.38 0.00 0.00 39.34 39.48 2f3i n TYR 65 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 2f3i h GLU 66 N 2.57 0.00 0.00 -3.48 4.11 -1.99 -3.45 114.58 112.35 2f3i h GLU 66 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2f3i h GLU 66 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2f3i h GLU 66 CO 0.70 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.31 2f3i n ASP 67 N -3.04 0.00 0.00 3.06 2.03 -1.26 -5.09 116.55 112.24 2f3i n ASP 67 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2f3i n ASP 67 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2f3i n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 68 N 3.90 0.00 0.14 0.27 0.00 -1.26 -4.69 105.19 103.54 2f3i n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 2.61 2.02 -1.98 -3.36 112.91 112.20 2f3i h THR 69 Ca 0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2f3i h THR 69 Cb 0.00 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2f3i h THR 69 CO 0.00 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.52 2f3i n LEU 70 N -2.57 0.82 0.10 2.58 -0.00 -1.26 -4.75 117.00 111.91 2f3i n LEU 70 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.12 2f3i n LEU 70 Cb 0.48 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.26 2f3i n LEU 70 CO 0.34 0.06 0.71 -0.67 -0.00 0.00 0.00 177.39 177.82 2f3i n ASP 71 N -2.07 0.35 -0.44 1.45 2.03 -1.26 -1.22 116.55 115.39 2f3i n ASP 71 Ca 0.00 0.66 0.37 0.00 0.52 0.00 0.00 54.79 56.33 2f3i n ASP 71 Cb 0.18 -0.70 0.68 0.00 -0.72 0.00 0.00 41.12 40.55 2f3i n ASP 71 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2f3i h ASP 72 N 0.00 0.19 0.00 1.67 3.58 -1.84 -3.44 116.42 116.57 2f3i h ASP 72 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2f3i h ASP 72 Cb 0.01 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2f3i h ASP 72 CO 0.00 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 176.92 2f3i n GLY 73 N -1.64 -0.05 0.00 -0.78 0.00 -0.35 -5.14 105.19 97.23 2f3i n GLY 73 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 3.44 -0.15 1.61 2.13 -0.39 -4.72 120.64 122.56 2f3i n GLU 74 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2f3i n GLU 74 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.00 0.25 4.31 9.36 -1.26 -4.73 117.16 125.09 2f3i n TYR 75 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 2f3i n TYR 75 Cb 0.00 -0.97 0.66 0.00 -0.63 0.00 0.00 39.34 38.41 2f3i n TYR 75 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 2f3i h ASN 76 N 0.00 0.00 -0.54 2.98 7.08 -1.92 -3.45 115.58 119.74 2f3i h ASN 76 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2f3i h ASN 76 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2f3i h ASN 76 CO 0.00 0.15 0.00 -0.81 -2.08 0.00 0.00 177.43 174.69 2f3i n PRO 77 N -3.75 2.15 0.00 4.14 -0.04 -1.26 -4.68 135.00 131.56 2f3i n PRO 77 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2f3i n PRO 77 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 2f3i n PRO 77 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2f3i n THR 78 N 0.00 0.00 0.37 0.52 -2.24 -1.26 -0.04 114.28 111.63 2f3i n THR 78 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2f3i n THR 78 Cb 0.00 -0.48 0.47 0.00 -2.10 0.00 0.00 70.33 68.22 2f3i n THR 78 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2f3i h ASP 79 N 0.00 0.00 0.00 3.42 3.58 -1.89 -3.42 116.42 118.12 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 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2f3i h ASP 79 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 2f3i n ASP 80 N -2.69 0.72 0.00 2.28 2.03 0.95 -3.73 116.55 116.11 2f3i n ASP 80 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2f3i n ASP 80 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 0.00 0.04 -0.67 1.74 -1.25 -2.07 116.66 114.45 2f3i n ARG 81 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2f3i n ARG 81 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2f3i n ARG 81 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2f3i h PRO 82 N 0.00 0.48 -7.44 5.56 0.13 -1.92 -3.43 132.00 125.38 2f3i h PRO 82 Ca 0.00 -0.43 -0.42 0.00 -0.87 0.00 0.00 66.00 64.28 2f3i h PRO 82 Cb 0.00 0.10 0.19 0.00 0.13 0.00 0.00 31.00 31.42 2f3i h PRO 82 CO 0.00 1.07 0.17 -1.12 -0.23 0.00 0.00 178.00 177.89 2f3i s SER 83 N -7.04 1.32 0.38 1.44 0.01 -0.88 -5.10 113.70 103.83 2f3i s SER 83 Ca -0.07 0.64 -0.09 0.00 1.31 0.00 0.00 55.95 57.75 2f3i s SER 83 Cb 0.10 -0.90 0.04 0.00 0.21 0.00 0.00 66.02 65.46 2f3i s SER 83 CO 0.86 -3.88 0.65 0.54 0.41 0.00 0.00 173.24 171.83 2f3i n ARG 84 N -4.60 0.94 -1.46 12.44 5.12 -1.24 -4.16 116.66 123.70 2f3i n ARG 84 Ca 0.13 -2.55 -0.11 0.00 -1.93 0.00 0.00 57.85 53.38 2f3i n ARG 84 Cb 0.59 2.79 -0.10 0.00 -1.16 0.00 0.00 32.46 34.59 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f3i n ALA 85 N -0.59 0.25 0.00 7.54 0.00 -1.26 -3.21 120.51 123.24 2f3i n ALA 85 Ca -0.16 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.31 2f3i n ALA 85 Cb 0.60 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 16.92 0.00 0.13 0.00 -0.08 -1.26 -3.93 116.55 128.32 2f3i n ASP 86 Ca 0.33 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.68 2f3i n ASP 86 Cb 0.48 0.07 0.38 0.00 2.34 0.00 0.00 41.12 44.38 2f3i n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f3i n GLN 87 N -1.68 0.09 -2.72 -0.67 6.02 -1.20 -3.55 117.38 113.68 2f3i n GLN 87 Ca 0.00 0.56 -0.06 0.00 -0.01 0.00 0.00 57.00 57.50 2f3i n GLN 87 Cb 0.00 -1.93 0.05 0.00 1.02 0.00 0.00 30.24 29.38 2f3i n GLN 87 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 2f3i n PHE 88 N -2.00 -2.22 -0.56 1.08 -1.74 -1.26 -4.92 117.46 105.84 2f3i n PHE 88 Ca -0.01 -1.21 0.45 0.00 -0.56 0.00 0.00 57.45 56.12 2f3i n PHE 88 Cb 0.14 1.34 0.72 0.00 1.52 0.00 0.00 39.48 43.20 2f3i n PHE 88 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2f3i n GLU 89 N 1.97 -0.02 -3.77 3.97 -0.58 0.33 -4.33 120.64 118.21 2f3i n GLU 89 Ca 0.09 1.13 -0.10 0.00 -0.42 0.00 0.00 57.16 57.85 2f3i n GLU 89 Cb 0.64 -2.39 -0.07 0.00 -0.57 0.00 0.00 31.44 29.06 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2f3i s TYR 90 N -4.99 -0.03 -0.28 -0.32 5.04 -1.10 -4.65 117.35 111.03 2f3i s TYR 90 Ca -0.06 -0.26 -0.24 0.00 -2.44 0.00 0.00 57.07 54.08 2f3i s TYR 90 Cb 0.28 0.07 0.10 0.00 0.35 0.00 0.00 41.96 42.75 2f3i s TYR 90 CO 0.82 -0.56 0.85 0.54 -1.34 0.00 0.00 175.55 175.87 2f3i s VAL 91 N -3.28 0.00 0.18 3.14 0.11 -1.26 -0.48 120.40 118.81 2f3i s VAL 91 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 2f3i s VAL 91 Cb 0.02 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.92 2f3i s VAL 91 CO -0.08 0.00 0.80 -0.32 -3.33 0.00 0.00 175.10 172.17 2f3i s MET 92 N 0.50 1.37 0.31 1.54 0.00 -0.73 -5.00 119.30 117.29 2f3i s MET 92 Ca -0.00 -0.69 0.09 0.00 0.00 0.00 0.00 55.69 55.08 2f3i s MET 92 Cb -0.05 0.51 -0.04 0.00 0.00 0.00 0.00 34.83 35.25 2f3i s MET 92 CO -0.05 -0.62 0.09 0.71 0.00 0.00 0.00 175.02 175.15 2f3i s TYR 93 N -3.57 2.72 0.00 4.11 2.02 -1.26 -3.17 117.35 118.20 2f3i s TYR 93 Ca 0.09 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2f3i s TYR 93 Cb -0.03 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2f3i s TYR 93 CO -0.00 0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 2f3i n GLY 94 N -1.06 2.43 2.82 0.71 0.00 -1.20 -2.62 105.19 106.28 2f3i n GLY 94 Ca -0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 1.03 0.01 0.12 1.61 2.20 0.21 -4.82 119.74 120.10 2f3i s LYS 95 Ca 0.00 0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 2f3i s LYS 95 Cb 0.00 -0.27 -0.07 0.00 -1.51 0.00 0.00 37.83 35.98 2f3i s LYS 95 CO 0.00 -0.22 0.56 0.08 -0.36 0.00 0.00 175.35 175.41 2f3i s VAL 96 N 1.48 4.82 -0.21 4.02 1.01 -1.24 -1.71 120.40 128.57 2f3i s VAL 96 Ca -0.05 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2f3i s VAL 96 Cb -0.12 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2f3i s VAL 96 CO -0.04 0.35 -0.05 -0.31 0.00 0.00 0.00 175.10 175.04 2f3i s TYR 97 N -1.35 2.06 -0.16 5.22 1.51 -0.55 -4.82 117.35 119.27 2f3i s TYR 97 Ca 0.35 -1.46 -0.27 0.00 -1.01 0.00 0.00 57.07 54.68 2f3i s TYR 97 Cb -0.16 -1.45 0.07 0.00 -0.11 0.00 0.00 41.96 40.30 2f3i s TYR 97 CO 0.19 -0.71 0.67 0.50 -1.11 0.00 0.00 175.55 175.09 2f3i s ARG 98 N 1.51 0.92 0.20 -0.62 6.06 -1.26 -3.42 118.95 122.34 2f3i s ARG 98 Ca -0.03 0.60 -0.03 0.00 -2.50 0.00 0.00 55.73 53.77 2f3i s ARG 98 Cb -0.17 0.44 0.05 0.00 0.06 0.00 0.00 34.95 35.32 2f3i s ARG 98 CO -0.07 -0.21 0.23 0.44 -2.50 0.00 0.00 175.30 173.19 2f3i n ILE 99 N 1.84 0.00 0.31 4.11 -5.35 -1.26 -4.95 119.36 114.06 2f3i n ILE 99 Ca -0.17 -0.14 0.03 0.00 -0.27 0.00 0.00 62.75 62.21 2f3i n ILE 99 Cb 0.56 -1.53 0.17 0.00 -1.74 0.00 0.00 39.64 37.10 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 -1.79 0.08 0.00 6.28 0.28 -1.26 -4.86 120.64 119.38 2f3i n GLU 100 Ca 0.03 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2f3i n GLU 100 Cb 0.11 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.48 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 -0.71 3.11 3.76 -1.84 0.00 -1.26 -4.99 105.19 103.25 2f3i n GLY 101 Ca 0.03 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 6.87 0.00 1.61 2.15 -1.26 -4.36 116.67 121.69 2f3i s ASP 102 Ca 0.00 2.53 0.00 0.00 0.43 0.00 0.00 52.55 55.51 2f3i s ASP 102 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2f3i s ASP 102 CO 0.00 -0.49 0.68 1.21 -0.17 0.00 0.00 175.17 176.40 2f3i n GLU 103 N 1.60 0.00 0.12 4.34 2.13 -1.26 -4.91 120.64 122.65 2f3i n GLU 103 Ca 0.02 -0.63 -0.23 0.00 0.66 0.00 0.00 57.16 56.98 2f3i n GLU 103 Cb 0.42 -0.41 -0.15 0.00 0.27 0.00 0.00 31.44 31.57 2f3i n GLU 103 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2f3i h THR 104 N 4.92 1.18 0.00 6.31 1.35 -1.97 -3.49 112.91 121.21 2f3i h THR 104 Ca 0.00 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2f3i h THR 104 Cb 1.17 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 2f3i h THR 104 CO 0.00 0.83 0.00 -1.20 -0.25 0.00 0.00 175.52 174.90 2f3i n SER 105 N -3.65 0.00 0.00 5.36 7.64 -1.26 -4.80 113.62 116.91 2f3i n SER 105 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2f3i n SER 105 Cb 1.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 106 N 0.00 0.00 0.87 0.44 -2.24 -1.26 -4.80 114.28 107.29 2f3i n THR 106 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2f3i n THR 106 Cb 0.00 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 68.72 2f3i n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2f3i n GLU 107 N -0.48 0.15 -3.81 -0.78 -0.58 -1.26 -4.91 120.64 108.97 2f3i n GLU 107 Ca 0.00 0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.61 2f3i n GLU 107 Cb 0.00 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f3i n ALA 108 N -1.39 -2.08 0.00 0.62 0.00 -1.26 -3.98 120.51 112.41 2f3i n ALA 108 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2f3i n ALA 108 Cb 0.21 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 -4.31 0.00 0.31 0.00 0.00 -1.26 -4.69 120.51 110.56 2f3i n ALA 109 Ca -0.28 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.34 2f3i n ALA 109 Cb 0.67 0.00 0.96 0.00 0.00 0.00 0.00 19.45 21.09 2f3i n ALA 109 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2f3i h THR 110 N 0.00 0.09 -3.60 0.00 1.35 -1.95 -3.25 112.91 105.55 2f3i h THR 110 Ca 0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 65.19 2f3i h THR 110 Cb 0.00 0.81 -0.26 0.00 -1.73 0.00 0.00 68.15 66.97 2f3i h THR 110 CO 0.00 0.00 -0.63 -0.13 -0.25 0.00 0.00 175.52 174.51 2f3i s ARG 111 N -4.22 3.13 0.20 4.72 3.00 -1.26 -4.23 118.95 120.29 2f3i s ARG 111 Ca -0.04 -0.83 -0.33 0.00 0.00 0.00 0.00 55.73 54.53 2f3i s ARG 111 Cb 0.11 -3.35 -0.13 0.00 0.00 0.00 0.00 34.95 31.58 2f3i s ARG 111 CO 0.37 -0.42 1.55 -0.11 0.00 0.00 0.00 175.30 176.69 2f3i n LEU 112 N 4.86 3.30 -4.95 2.53 7.94 0.67 -4.68 117.00 126.68 2f3i n LEU 112 Ca -0.15 1.10 -0.25 0.00 -1.11 0.00 0.00 56.01 55.61 2f3i n LEU 112 Cb 0.48 -1.46 0.08 0.00 0.53 0.00 0.00 43.42 43.05 2f3i n LEU 112 CO 0.31 -0.26 0.58 -0.44 -1.11 0.00 0.00 177.39 176.47 2f3i s SER 113 N 0.72 4.71 -0.07 1.96 0.01 -1.26 -1.33 113.70 118.45 2f3i s SER 113 Ca 0.74 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 58.07 2f3i s SER 113 Cb -0.64 -0.86 0.04 0.00 0.21 0.00 0.00 66.02 64.77 2f3i s SER 113 CO 0.42 -1.63 0.41 0.00 0.41 0.00 0.00 173.24 172.84 2f3i s ALA 114 N -3.19 -1.03 -0.02 1.44 0.00 0.19 -4.88 121.76 114.27 2f3i s ALA 114 Ca 0.61 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.40 2f3i s ALA 114 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 2f3i s ALA 114 CO 0.44 -0.26 -0.22 0.71 0.00 0.00 0.00 175.76 176.43 2f3i s TYR 115 N -0.83 2.01 -0.01 0.00 1.51 -1.22 -0.76 117.35 118.05 2f3i s TYR 115 Ca -0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2f3i s TYR 115 Cb -0.04 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2f3i s TYR 115 CO 0.04 -0.05 0.00 0.08 -1.11 0.00 0.00 175.55 174.51 2f3i s VAL 116 N -0.48 0.04 -0.10 0.71 1.01 -0.67 -1.48 120.40 119.44 2f3i s VAL 116 Ca 0.07 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2f3i s VAL 116 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 2f3i s VAL 116 CO -0.00 0.04 -0.19 -0.44 0.00 0.00 0.00 175.10 174.51 2f3i s SER 117 N 0.26 3.57 -0.23 3.32 0.01 -0.69 -0.71 113.70 119.22 2f3i s SER 117 Ca -0.02 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 2f3i s SER 117 Cb -0.04 -1.32 0.12 0.00 0.21 0.00 0.00 66.02 64.99 2f3i s SER 117 CO -0.01 0.20 0.33 -0.72 0.41 0.00 0.00 173.24 173.45 2f3i s TYR 118 N 0.13 -0.66 -1.91 2.43 1.13 -0.21 -0.62 117.35 117.64 2f3i s TYR 118 Ca -0.09 0.63 0.00 0.00 -1.41 0.00 0.00 57.07 56.20 2f3i s TYR 118 Cb -0.16 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 2f3i s TYR 118 CO 0.06 -0.69 0.00 0.41 -2.51 0.00 0.00 175.55 172.82 2f3i n GLY 119 N 5.35 1.14 0.67 5.49 0.00 -1.08 -0.96 105.19 115.79 2f3i n GLY 119 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2f3i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3i n GLY 120 N -0.54 1.74 3.92 -0.02 0.00 -1.26 -5.07 105.19 103.97 2f3i n GLY 120 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 2.70 0.03 0.99 2.01 -0.14 -5.04 118.68 119.24 2f3i s LEU 121 Ca 0.00 0.48 -0.00 0.00 0.01 0.00 0.00 54.13 54.62 2f3i s LEU 121 Cb 0.00 -2.95 -0.03 0.00 0.01 0.00 0.00 46.19 43.22 2f3i s LEU 121 CO 0.00 -1.92 -0.03 -0.22 1.01 0.00 0.00 176.35 175.20 2f3i s LEU 122 N -5.46 2.32 0.06 1.79 2.96 -0.60 -1.04 118.68 118.71 2f3i s LEU 122 Ca 0.64 -0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2f3i s LEU 122 Cb -0.09 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 2f3i s LEU 122 CO 0.48 -0.41 -0.04 -0.04 -1.32 0.00 0.00 176.35 175.01 2f3i s MET 123 N -2.38 0.63 -0.09 1.98 -1.94 0.11 -0.94 119.30 116.67 2f3i s MET 123 Ca -0.07 -1.15 -0.03 0.00 -1.71 0.00 0.00 55.69 52.72 2f3i s MET 123 Cb -0.03 0.07 0.05 0.00 2.01 0.00 0.00 34.83 36.92 2f3i s MET 123 CO -0.04 -0.07 0.17 0.50 -0.01 0.00 0.00 175.02 175.57 2f3i s ARG 124 N -3.49 0.06 0.02 2.03 3.52 -0.54 -1.67 118.95 118.88 2f3i s ARG 124 Ca 0.05 0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 56.15 2f3i s ARG 124 Cb 0.04 -0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.20 2f3i s ARG 124 CO -0.07 -0.27 0.07 -1.17 -0.81 0.00 0.00 175.30 173.05 2f3i s LEU 125 N 2.05 1.85 -0.00 -0.88 2.96 0.06 -0.45 118.68 124.26 2f3i s LEU 125 Ca 0.00 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2f3i s LEU 125 Cb -0.12 0.47 -0.00 0.00 0.50 0.00 0.00 46.19 47.04 2f3i s LEU 125 CO -0.06 -0.39 0.04 -1.10 -1.32 0.00 0.00 176.35 173.51 2f3i s GLN 126 N -1.80 0.22 -0.02 1.98 -0.21 -0.13 -0.64 119.66 119.07 2f3i s GLN 126 Ca -0.12 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 2f3i s GLN 126 Cb -0.06 0.09 0.11 0.00 1.00 0.00 0.00 33.01 34.15 2f3i s GLN 126 CO -0.01 -0.04 1.16 0.20 -2.12 0.00 0.00 175.29 174.48 2f3i s GLY 127 N -0.75 -0.35 0.50 3.09 0.00 -0.44 -1.49 107.32 107.87 2f3i s GLY 127 Ca -0.08 0.80 -0.21 0.00 0.00 0.00 0.00 44.72 45.23 2f3i s GLY 127 CO -0.00 0.21 0.83 1.34 0.00 0.00 0.00 173.10 175.47 2f3i n ASP 128 N -0.37 0.34 -0.10 1.64 2.03 -1.26 -0.24 116.55 118.59 2f3i n ASP 128 Ca -0.06 0.90 -0.07 0.00 0.52 0.00 0.00 54.79 56.08 2f3i n ASP 128 Cb 0.61 -1.29 0.01 0.00 -0.72 0.00 0.00 41.12 39.73 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 0.90 0.40 -0.43 -1.67 0.00 -1.89 0.18 119.26 116.75 2f3i h ALA 129 Ca -0.45 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2f3i h ALA 129 Cb 1.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2f3i h ALA 129 CO 0.52 -0.25 0.07 -0.97 0.00 0.00 0.00 179.25 178.63 2f3i h ASN 130 N 0.30 0.68 -0.63 0.00 -1.24 -1.97 -3.27 115.58 109.46 2f3i h ASN 130 Ca 0.15 -0.26 -0.08 0.00 0.71 0.00 0.00 56.30 56.82 2f3i h ASN 130 Cb 0.09 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 2f3i h ASN 130 CO -0.13 0.77 0.10 -1.13 -1.29 0.00 0.00 177.43 175.75 2f3i h ASN 131 N 0.57 1.00 0.34 1.15 -1.24 -1.62 -2.09 115.58 113.69 2f3i h ASN 131 Ca 0.13 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 2f3i h ASN 131 Cb 0.38 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 2f3i h ASN 131 CO 0.01 1.01 -0.04 0.25 -1.29 0.00 0.00 177.43 177.37 2f3i h LEU 132 N 0.96 0.00 -0.61 0.34 6.46 -0.77 -3.47 115.31 118.21 2f3i h LEU 132 Ca 0.19 0.00 -0.46 0.00 -0.12 0.00 0.00 57.88 57.49 2f3i h LEU 132 Cb 0.44 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 2f3i h LEU 132 CO 0.01 0.04 -0.72 1.57 -0.62 0.00 0.00 178.44 178.73 2f3i n HIS 133 N -3.35 -2.20 -2.70 1.25 -0.00 -0.79 -4.86 115.22 102.57 2f3i n HIS 133 Ca -0.02 0.82 -0.07 0.00 0.46 0.00 0.00 57.72 58.90 2f3i n HIS 133 Cb 0.18 -3.85 0.11 0.00 -0.12 0.00 0.00 29.99 26.31 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2f3i n GLY 134 N -1.60 1.32 0.34 1.57 0.00 -1.26 -4.70 105.19 100.86 2f3i n GLY 134 Ca 0.03 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.84 2f3i n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2f3i h PHE 135 N 2.19 0.68 -3.91 1.61 -1.00 -1.89 -3.45 116.94 111.17 2f3i h PHE 135 Ca -0.24 0.02 -0.49 0.00 2.81 0.00 0.00 57.97 60.07 2f3i h PHE 135 Cb 1.27 -0.22 0.01 0.00 3.61 0.00 0.00 35.95 40.62 2f3i h PHE 135 CO 0.19 0.38 0.23 -1.21 -1.61 0.00 0.00 178.31 176.29 2f3i s GLU 136 N -5.61 3.83 0.00 1.51 0.41 -1.26 -4.97 118.70 112.61 2f3i s GLU 136 Ca -0.09 0.66 0.21 0.00 -0.41 0.00 0.00 54.97 55.33 2f3i s GLU 136 Cb 0.19 -2.28 1.11 0.00 -1.78 0.00 0.00 34.13 31.37 2f3i s GLU 136 CO 0.76 -0.15 1.64 1.33 -0.49 0.00 0.00 175.26 178.35 2f3i n VAL 137 N -1.49 0.23 -0.68 2.63 0.24 -1.26 -3.92 118.33 114.08 2f3i n VAL 137 Ca 0.04 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2f3i n VAL 137 Cb 0.54 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.17 0.53 -0.00 -1.34 2.03 -1.26 -3.60 116.55 111.73 2f3i n ASP 138 Ca 0.12 -1.21 -0.00 0.00 0.52 0.00 0.00 54.79 54.22 2f3i n ASP 138 Cb 0.13 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.00 -0.07 1.67 0.02 -1.94 -3.41 113.55 109.81 2f3i h SER 139 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2f3i h SER 139 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2f3i h SER 139 CO 0.00 0.05 0.00 -2.11 -1.14 0.00 0.00 176.83 173.63 2f3i n ARG 140 N -2.37 1.22 0.14 3.45 1.85 -1.26 -1.61 116.66 118.07 2f3i n ARG 140 Ca -0.00 -0.28 0.04 0.00 -1.00 0.00 0.00 57.85 56.60 2f3i n ARG 140 Cb 0.01 -1.15 0.45 0.00 -1.05 0.00 0.00 32.46 30.72 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2f3i h VAL 141 N 0.44 1.13 -3.03 8.89 -1.51 -1.84 -3.39 116.25 116.94 2f3i h VAL 141 Ca 0.00 -0.55 -0.57 0.00 -1.23 0.00 0.00 66.70 64.36 2f3i h VAL 141 Cb 0.20 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 2f3i h VAL 141 CO 0.01 0.17 1.06 -0.31 -1.23 0.00 0.00 177.57 177.28 2f3i s TYR 142 N -4.89 2.38 -0.08 5.19 1.51 -0.63 -3.21 117.35 117.61 2f3i s TYR 142 Ca -0.06 0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 56.64 2f3i s TYR 142 Cb 0.16 -4.04 0.03 0.00 -0.11 0.00 0.00 41.96 38.00 2f3i s TYR 142 CO 0.72 -2.23 0.22 -1.17 -1.11 0.00 0.00 175.55 171.97 2f3i s LEU 143 N 5.05 1.01 -0.01 -1.29 0.20 -1.19 -4.65 118.68 117.80 2f3i s LEU 143 Ca 0.64 0.44 -0.16 0.00 0.69 0.00 0.00 54.13 55.74 2f3i s LEU 143 Cb -0.19 0.72 0.03 0.00 -0.43 0.00 0.00 46.19 46.32 2f3i s LEU 143 CO 0.28 -0.10 0.35 -0.22 -0.29 0.00 0.00 176.35 176.37 2f3i s LEU 144 N 0.39 0.71 0.05 -0.68 0.20 -0.43 -1.78 118.68 117.14 2f3i s LEU 144 Ca -0.02 0.11 -0.03 0.00 0.69 0.00 0.00 54.13 54.87 2f3i s LEU 144 Cb -0.04 1.41 -0.02 0.00 -0.43 0.00 0.00 46.19 47.10 2f3i s LEU 144 CO -0.02 -0.49 0.04 -0.04 -0.29 0.00 0.00 176.35 175.56 2f3i s MET 145 N -1.48 0.61 0.31 1.98 -1.94 0.37 -0.88 119.30 118.27 2f3i s MET 145 Ca -0.12 -0.98 -0.14 0.00 -1.71 0.00 0.00 55.69 52.74 2f3i s MET 145 Cb -0.04 0.23 0.02 0.00 2.01 0.00 0.00 34.83 37.04 2f3i s MET 145 CO 0.04 -0.14 0.62 -1.59 -0.01 0.00 0.00 175.02 173.94 2f3i s LYS 146 N -3.27 1.84 1.02 2.03 -2.85 -0.06 -0.52 119.74 117.95 2f3i s LYS 146 Ca 0.01 -1.31 -0.12 0.00 -1.00 0.00 0.00 55.97 53.54 2f3i s LYS 146 Cb 0.03 0.54 0.17 0.00 -2.06 0.00 0.00 37.83 36.51 2f3i s LYS 146 CO -0.08 -0.82 0.88 0.36 0.10 0.00 0.00 175.35 175.79 2f3i n LYS 147 N -0.47 -1.13 -0.72 1.78 2.85 -1.26 -0.42 118.16 118.79 2f3i n LYS 147 Ca -0.04 -0.28 -0.32 0.00 -1.05 0.00 0.00 58.31 56.63 2f3i n LYS 147 Cb 0.61 -2.17 0.16 0.00 -0.65 0.00 0.00 35.03 32.98 2f3i n LYS 147 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2f3i n LEU 148 N -3.72 2.49 -3.77 -5.58 -0.00 -1.15 -3.95 117.00 101.31 2f3i n LEU 148 Ca 0.07 0.40 -0.29 0.00 -0.00 0.00 0.00 56.01 56.20 2f3i n LEU 148 Cb 0.54 -1.41 -0.16 0.00 -0.00 0.00 0.00 43.42 42.39 2f3i n LEU 148 CO 0.52 -2.51 -0.36 0.00 -0.00 0.00 0.00 177.39 175.03 2f3i s ALA 149 N -2.56 1.35 0.00 1.47 0.00 -1.26 -4.97 121.76 115.79 2f3i s ALA 149 Ca 0.65 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2f3i s ALA 149 Cb -0.23 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2f3i s ALA 149 CO 0.60 -1.35 0.00 0.34 0.00 0.00 0.00 175.76 175.35