#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfq n GLY 3 N 0.00 0.37 0.21 5.00 0.00 -1.12 -4.89 105.19 104.75 1nfq n GLY 3 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1nfq n GLY 3 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfq h ARG 4 N 0.68 0.00 0.00 1.61 3.08 -1.83 -2.97 114.38 114.95 1nfq h ARG 4 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nfq h ARG 4 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1nfq h ARG 4 CO 0.01 0.00 -0.01 1.28 -1.07 0.00 0.00 179.97 180.17 1nfq n LEU 5 N -2.70 2.02 -4.63 3.04 4.77 0.21 -4.70 117.00 115.00 1nfq n LEU 5 Ca 0.01 -2.35 -0.49 0.00 -0.03 0.00 0.00 56.01 53.15 1nfq n LEU 5 Cb 0.28 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1nfq n LEU 5 CO 0.24 0.56 1.07 0.41 -1.33 0.00 0.00 177.39 178.35 1nfq n THR 6 N -0.86 0.04 -0.40 -5.08 -1.04 -1.12 -0.98 114.28 104.84 1nfq n THR 6 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1nfq n THR 6 Cb 0.43 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1nfq n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nfq n GLY 7 N 3.07 1.17 3.87 3.41 0.00 -1.24 -4.99 105.19 110.47 1nfq n GLY 7 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1nfq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfq s LYS 8 N -0.39 3.65 -0.13 1.61 -0.14 -0.15 -5.01 119.74 119.17 1nfq s LYS 8 Ca 0.00 0.08 0.01 0.00 -1.36 0.00 0.00 55.97 54.69 1nfq s LYS 8 Cb 0.00 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 32.98 1nfq s LYS 8 CO 0.00 0.70 -0.15 0.08 -0.76 0.00 0.00 175.35 175.22 1nfq s VAL 9 N -1.14 2.79 0.13 3.17 1.01 -1.26 -1.34 120.40 123.76 1nfq s VAL 9 Ca 0.22 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1nfq s VAL 9 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1nfq s VAL 9 CO 0.11 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.51 1nfq s ALA 10 N 0.47 2.04 -0.15 5.51 0.00 0.41 -1.06 121.76 128.98 1nfq s ALA 10 Ca -0.11 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1nfq s ALA 10 Cb -0.16 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1nfq s ALA 10 CO 0.05 0.39 -0.20 -1.17 0.00 0.00 0.00 175.76 174.83 1nfq s LEU 11 N -2.13 2.07 -0.15 0.00 2.96 0.25 -0.34 118.68 121.34 1nfq s LEU 11 Ca 0.11 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1nfq s LEU 11 Cb -0.09 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1nfq s LEU 11 CO 0.06 0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.23 1nfq s VAL 12 N 1.03 1.98 0.19 1.68 1.01 -0.36 -0.93 120.40 125.00 1nfq s VAL 12 Ca -0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1nfq s VAL 12 Cb -0.14 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 1nfq s VAL 12 CO -0.06 0.53 0.58 -0.94 0.00 0.00 0.00 175.10 175.21 1nfq s SER 13 N 1.05 6.79 -1.22 3.32 1.04 -0.97 -1.24 113.70 122.47 1nfq s SER 13 Ca -0.02 1.09 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 1nfq s SER 13 Cb -0.14 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.69 1nfq s SER 13 CO -0.07 0.02 1.07 0.61 0.98 0.00 0.00 173.24 175.85 1nfq n GLY 14 N 0.42 -0.40 1.09 7.32 0.00 0.53 -2.47 105.19 111.69 1nfq n GLY 14 Ca -0.03 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1nfq n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfq n GLY 15 N -1.84 1.73 0.22 -0.02 0.00 -0.89 -4.08 105.19 100.30 1nfq n GLY 15 Ca -0.00 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.51 1nfq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfq h ALA 16 N 3.98 0.94 -3.08 4.61 0.00 -1.88 -3.07 119.26 120.76 1nfq h ALA 16 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1nfq h ALA 16 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1nfq h ALA 16 CO 0.04 0.18 0.23 2.89 0.00 0.00 0.00 179.25 182.59 1nfq n ARG 17 N -3.18 1.07 0.00 0.00 1.85 -1.26 -4.65 116.66 110.49 1nfq n ARG 17 Ca 0.02 -2.25 0.00 0.00 -1.00 0.00 0.00 57.85 54.62 1nfq n ARG 17 Cb 0.51 2.72 0.00 0.00 -1.05 0.00 0.00 32.46 34.64 1nfq n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nfq n GLY 18 N -0.53 2.14 0.32 2.89 0.00 -1.26 -2.38 105.19 106.38 1nfq n GLY 18 Ca -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 1nfq n GLY 18 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nfq h MET 19 N 0.00 0.85 -0.47 1.61 2.86 -1.92 -2.56 114.93 115.30 1nfq h MET 19 Ca 0.00 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1nfq h MET 19 Cb 0.00 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 1nfq h MET 19 CO 0.00 0.64 0.20 0.78 1.06 0.00 0.00 176.91 179.59 1nfq h GLY 20 N 0.93 0.63 0.99 8.32 0.00 -1.67 0.16 103.07 112.44 1nfq h GLY 20 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1nfq h GLY 20 CO -0.03 0.06 0.30 0.00 0.00 0.00 0.00 176.54 176.87 1nfq h ALA 21 N 1.28 0.77 -0.93 3.60 0.00 -1.12 -1.76 119.26 121.11 1nfq h ALA 21 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nfq h ALA 21 Cb 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1nfq h ALA 21 CO -0.18 0.32 0.59 1.03 0.00 0.00 0.00 179.25 181.00 1nfq h SER 22 N 0.82 1.09 -0.52 0.00 0.87 -0.95 -1.78 113.55 113.07 1nfq h SER 22 Ca 0.21 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1nfq h SER 22 Cb 0.10 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1nfq h SER 22 CO -0.03 0.81 0.10 0.45 -0.53 0.00 0.00 176.83 177.64 1nfq h HIS 23 N 1.27 0.91 0.02 2.24 3.86 -0.15 -0.54 115.15 122.76 1nfq h HIS 23 Ca 0.34 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1nfq h HIS 23 Cb -0.10 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 1nfq h HIS 23 CO 0.00 0.81 -0.08 0.28 0.86 0.00 0.00 177.93 179.80 1nfq h VAL 24 N 0.74 0.79 -0.61 2.45 2.07 -0.87 -0.42 116.25 120.41 1nfq h VAL 24 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1nfq h VAL 24 Cb 0.38 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1nfq h VAL 24 CO 0.01 0.00 0.36 0.03 0.02 0.00 0.00 177.57 177.99 1nfq h ARG 25 N -0.15 0.83 -0.68 1.57 3.08 -1.21 -1.59 114.38 116.23 1nfq h ARG 25 Ca 0.03 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1nfq h ARG 25 Cb 0.18 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1nfq h ARG 25 CO -0.07 0.60 0.22 0.00 -1.07 0.00 0.00 179.97 179.65 1nfq h ALA 26 N 1.18 0.88 -0.14 0.04 0.00 -0.86 -1.73 119.26 118.64 1nfq h ALA 26 Ca 0.22 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1nfq h ALA 26 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1nfq h ALA 26 CO -0.04 0.55 -0.55 0.52 0.00 0.00 0.00 179.25 179.73 1nfq h MET 27 N 0.98 0.41 -0.50 0.00 2.86 -0.89 -2.82 114.93 114.97 1nfq h MET 27 Ca 0.22 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1nfq h MET 27 Cb 0.28 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1nfq h MET 27 CO -0.01 0.86 -0.01 0.28 1.06 0.00 0.00 176.91 179.08 1nfq h VAL 28 N 0.32 1.26 0.00 -2.22 2.07 -1.14 -1.45 116.25 115.10 1nfq h VAL 28 Ca 0.00 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1nfq h VAL 28 Cb 1.07 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1nfq h VAL 28 CO 0.10 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 178.07 1nfq h ALA 29 N 0.93 1.07 -0.67 1.67 0.00 -1.19 -0.69 119.26 120.38 1nfq h ALA 29 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nfq h ALA 29 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nfq h ALA 29 CO 0.03 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1nfq n GLU 30 N -3.19 2.96 -0.36 0.00 -0.58 -0.86 -4.46 120.64 114.15 1nfq n GLU 30 Ca -0.02 -2.58 0.00 0.00 -0.42 0.00 0.00 57.16 54.13 1nfq n GLU 30 Cb 0.11 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 1nfq n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nfq n GLY 31 N 1.44 0.82 3.92 0.62 0.00 -0.26 -0.62 105.19 111.10 1nfq n GLY 31 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1nfq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfq s ALA 32 N -2.02 3.62 -0.20 4.61 0.00 -0.60 -3.72 121.76 123.45 1nfq s ALA 32 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1nfq s ALA 32 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1nfq s ALA 32 CO 0.00 0.07 0.12 0.15 0.00 0.00 0.00 175.76 176.11 1nfq s LYS 33 N -3.97 4.14 -0.07 0.00 -0.14 -0.45 -4.31 119.74 114.95 1nfq s LYS 33 Ca 0.43 -0.25 0.04 0.00 -1.36 0.00 0.00 55.97 54.83 1nfq s LYS 33 Cb -0.10 -3.40 -0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1nfq s LYS 33 CO 0.34 0.26 -0.20 0.08 -0.76 0.00 0.00 175.35 175.07 1nfq s VAL 34 N 0.46 1.67 -0.23 3.17 1.01 -0.05 -0.45 120.40 125.99 1nfq s VAL 34 Ca 0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1nfq s VAL 34 Cb -0.12 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1nfq s VAL 34 CO -0.01 0.47 -0.00 -0.69 0.00 0.00 0.00 175.10 174.88 1nfq s VAL 35 N 0.21 3.72 -0.00 2.92 1.01 0.54 -0.92 120.40 127.89 1nfq s VAL 35 Ca -0.10 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1nfq s VAL 35 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1nfq s VAL 35 CO 0.05 0.39 -0.22 0.72 0.00 0.00 0.00 175.10 176.03 1nfq s PHE 36 N 1.53 1.99 0.24 5.22 -0.12 -0.20 -1.22 117.98 125.42 1nfq s PHE 36 Ca 0.06 -0.38 0.09 0.00 -0.05 0.00 0.00 56.93 56.65 1nfq s PHE 36 Cb -0.15 -1.26 -0.05 0.00 -0.63 0.00 0.00 43.02 40.94 1nfq s PHE 36 CO -0.01 0.00 -0.15 0.20 -0.05 0.00 0.00 175.22 175.22 1nfq s GLY 37 N -0.70 1.63 0.02 1.99 0.00 -0.38 -1.82 107.32 108.07 1nfq s GLY 37 Ca 0.09 -1.77 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 1nfq s GLY 37 CO -0.00 -1.84 0.16 1.34 0.00 0.00 0.00 173.10 172.77 1nfq n ASP 38 N -0.49 -0.24 -0.15 1.64 -0.08 -1.14 -0.34 116.55 115.74 1nfq n ASP 38 Ca -0.07 -1.11 0.02 0.00 -1.51 0.00 0.00 54.79 52.12 1nfq n ASP 38 Cb 0.61 0.39 0.01 0.00 2.34 0.00 0.00 41.12 44.47 1nfq n ASP 38 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1nfq n ILE 39 N -0.12 0.00 -3.18 5.18 -5.35 -1.26 -0.18 119.36 114.46 1nfq n ILE 39 Ca -0.00 -0.48 -0.44 0.00 -0.27 0.00 0.00 62.75 61.55 1nfq n ILE 39 Cb 0.09 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 1nfq n ILE 39 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nfq n LEU 40 N 0.03 5.80 -0.33 7.28 4.77 -1.26 -4.89 117.00 128.39 1nfq n LEU 40 Ca 0.02 -5.03 0.04 0.00 -0.03 0.00 0.00 56.01 51.01 1nfq n LEU 40 Cb 0.10 -1.43 0.22 0.00 -2.33 0.00 0.00 43.42 39.98 1nfq n LEU 40 CO 0.04 1.40 1.25 0.44 -1.33 0.00 0.00 177.39 179.19 1nfq h ASP 41 N 6.31 0.96 0.55 -1.43 3.32 -1.98 -0.90 116.42 123.25 1nfq h ASP 41 Ca 0.20 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1nfq h ASP 41 Cb 0.79 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1nfq h ASP 41 CO 1.15 0.60 -0.29 -0.33 -1.72 0.00 0.00 179.24 178.64 1nfq h GLU 42 N 1.08 -0.75 -0.76 3.56 3.07 -1.99 -0.07 114.58 118.72 1nfq h GLU 42 Ca 0.42 0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.30 1nfq h GLU 42 Cb 0.23 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1nfq h GLU 42 CO -0.17 -0.50 0.34 0.93 -1.40 0.00 0.00 179.01 178.21 1nfq h GLU 43 N -0.78 1.10 0.09 2.33 3.07 -1.90 -1.66 114.58 116.83 1nfq h GLU 43 Ca -0.07 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1nfq h GLU 43 Cb 0.61 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1nfq h GLU 43 CO 0.10 0.87 -0.04 0.78 -1.40 0.00 0.00 179.01 179.32 1nfq h GLY 44 N 1.13 -0.12 1.87 -3.84 0.00 -0.93 -2.28 103.07 98.90 1nfq h GLY 44 Ca 0.26 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1nfq h GLY 44 CO -0.03 -0.04 -0.27 0.50 0.00 0.00 0.00 176.54 176.69 1nfq h LYS 45 N -0.14 0.15 0.60 4.80 1.57 -0.91 -1.89 116.57 120.74 1nfq h LYS 45 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1nfq h LYS 45 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1nfq h LYS 45 CO 0.02 0.42 -0.33 0.00 -0.57 0.00 0.00 179.45 178.99 1nfq h ALA 46 N 1.59 -0.86 0.00 3.86 0.00 -0.96 -2.27 119.26 120.62 1nfq h ALA 46 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nfq h ALA 46 Cb 0.56 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nfq h ALA 46 CO 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 179.25 178.30 1nfq n MET 47 N -5.47 0.19 0.16 0.00 0.00 -0.89 -2.11 117.12 109.01 1nfq n MET 47 Ca -0.13 0.25 0.02 0.00 0.00 0.00 0.00 57.70 57.85 1nfq n MET 47 Cb 0.36 -1.77 0.25 0.00 0.00 0.00 0.00 33.22 32.07 1nfq n MET 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nfq h ALA 48 N 2.50 0.97 -0.13 3.17 0.00 -1.08 -3.02 119.26 121.67 1nfq h ALA 48 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1nfq h ALA 48 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nfq h ALA 48 CO 0.00 0.61 -0.63 0.00 0.00 0.00 0.00 179.25 179.24 1nfq h ALA 49 N 1.51 0.66 -0.28 0.00 0.00 -0.86 -2.35 119.26 117.94 1nfq h ALA 49 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1nfq h ALA 49 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nfq h ALA 49 CO 0.06 0.72 0.00 -0.85 0.00 0.00 0.00 179.25 179.18 1nfq n GLU 50 N -3.91 1.71 0.00 0.00 0.28 -1.15 -3.28 120.64 114.29 1nfq n GLU 50 Ca -0.04 -1.09 0.00 0.00 -0.16 0.00 0.00 57.16 55.87 1nfq n GLU 50 Cb 0.65 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.25 1nfq n GLU 50 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nfq n LEU 51 N 0.37 0.88 0.00 -1.84 4.32 -1.15 -5.06 117.00 114.53 1nfq n LEU 51 Ca 0.11 -0.88 0.00 0.00 -0.02 0.00 0.00 56.01 55.22 1nfq n LEU 51 Cb 0.27 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1nfq n LEU 51 CO 0.08 0.22 0.00 0.00 -1.22 0.00 0.00 177.39 176.47 1nfq n ALA 52 N -0.15 0.00 0.28 -1.18 0.00 -0.89 -1.12 120.51 117.45 1nfq n ALA 52 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1nfq n ALA 52 Cb 0.23 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.39 1nfq n ALA 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nfq h ASP 53 N 0.00 0.00 1.12 0.00 3.58 -1.93 -3.27 116.42 115.92 1nfq h ASP 53 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1nfq h ASP 53 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1nfq h ASP 53 CO 0.00 0.01 -0.63 0.00 -2.88 0.00 0.00 179.24 175.74 1nfq h ALA 54 N 1.99 0.64 -2.47 -0.78 0.00 -1.50 -3.48 119.26 113.67 1nfq h ALA 54 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1nfq h ALA 54 Cb 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.11 1nfq h ALA 54 CO 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 179.25 178.56 1nfq s ALA 55 N -3.24 0.42 -0.04 0.00 0.00 -1.16 -0.87 121.76 116.87 1nfq s ALA 55 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1nfq s ALA 55 Cb 0.11 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1nfq s ALA 55 CO 0.73 -0.30 -0.09 1.03 0.00 0.00 0.00 175.76 177.14 1nfq s ARG 56 N -3.18 1.11 -0.07 0.00 1.81 -0.09 -4.69 118.95 113.83 1nfq s ARG 56 Ca 0.00 -0.28 -0.05 0.00 -1.72 0.00 0.00 55.73 53.69 1nfq s ARG 56 Cb 0.02 -1.00 -0.04 0.00 -0.45 0.00 0.00 34.95 33.48 1nfq s ARG 56 CO -0.07 0.04 0.16 -0.47 -0.68 0.00 0.00 175.30 174.28 1nfq s TYR 57 N 0.51 3.58 0.01 -0.53 5.04 -1.26 -1.04 117.35 123.66 1nfq s TYR 57 Ca -0.08 0.46 -0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1nfq s TYR 57 Cb -0.12 -1.89 -0.01 0.00 0.35 0.00 0.00 41.96 40.28 1nfq s TYR 57 CO 0.01 0.70 0.01 0.14 -1.34 0.00 0.00 175.55 175.07 1nfq s VAL 58 N -1.16 0.10 0.02 3.14 -7.23 -0.76 -4.96 120.40 109.56 1nfq s VAL 58 Ca 0.20 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1nfq s VAL 58 Cb -0.12 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 1nfq s VAL 58 CO 0.10 -0.45 1.13 -2.28 -0.31 0.00 0.00 175.10 173.30 1nfq s HIS 59 N -1.36 3.46 -0.21 2.82 2.46 -1.26 -2.90 115.29 118.30 1nfq s HIS 59 Ca -0.15 1.41 -0.04 0.00 0.47 0.00 0.00 55.06 56.75 1nfq s HIS 59 Cb -0.09 -3.33 0.10 0.00 -0.13 0.00 0.00 32.58 29.14 1nfq s HIS 59 CO -0.00 -0.89 0.27 -1.17 -2.47 0.00 0.00 174.74 170.48 1nfq s LEU 60 N 1.29 -0.29 -0.46 8.88 2.96 0.75 -4.81 118.68 127.01 1nfq s LEU 60 Ca 0.56 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 54.29 1nfq s LEU 60 Cb -0.26 0.64 0.05 0.00 0.50 0.00 0.00 46.19 47.12 1nfq s LEU 60 CO 0.27 -0.31 0.43 -0.62 -1.32 0.00 0.00 176.35 174.80 1nfq s ASP 61 N 2.40 6.17 0.08 3.68 -1.08 -1.26 -3.80 116.67 122.86 1nfq s ASP 61 Ca 0.08 -1.01 0.04 0.00 -0.52 0.00 0.00 52.55 51.14 1nfq s ASP 61 Cb -0.15 -2.21 0.22 0.00 -1.46 0.00 0.00 42.92 39.32 1nfq s ASP 61 CO -0.13 -0.64 1.00 1.33 0.52 0.00 0.00 175.17 177.25 1nfq n VAL 62 N 5.34 1.27 1.24 1.11 0.24 -1.26 -0.68 118.33 125.58 1nfq n VAL 62 Ca -0.10 0.56 0.13 0.00 -2.04 0.00 0.00 64.34 62.89 1nfq n VAL 62 Cb 0.45 -1.56 0.37 0.00 -1.47 0.00 0.00 33.84 31.63 1nfq n VAL 62 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nfq n THR 63 N -1.56 0.00 -3.64 3.34 -2.24 -1.26 -4.24 114.28 104.68 1nfq n THR 63 Ca -0.00 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 1nfq n THR 63 Cb 0.16 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 1nfq n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nfq s GLN 64 N -2.51 2.54 0.47 -0.78 -1.52 0.14 -4.98 119.66 113.01 1nfq s GLN 64 Ca 0.24 -1.47 0.19 0.00 -1.95 0.00 0.00 55.36 52.37 1nfq s GLN 64 Cb 0.19 -3.71 1.18 0.00 -0.22 0.00 0.00 33.01 30.45 1nfq s GLN 64 CO 0.52 -0.93 1.96 -1.00 -0.25 0.00 0.00 175.29 175.59 1nfq h PRO 65 N 8.34 0.25 -0.57 2.91 0.13 -1.86 -1.56 132.00 139.64 1nfq h PRO 65 Ca -0.22 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1nfq h PRO 65 Cb 1.08 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1nfq h PRO 65 CO 0.73 0.16 0.08 0.00 -0.23 0.00 0.00 178.00 178.74 1nfq h ALA 66 N 1.69 1.06 -0.12 -0.56 0.00 -1.94 -2.18 119.26 117.20 1nfq h ALA 66 Ca 0.31 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1nfq h ALA 66 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1nfq h ALA 66 CO -0.07 0.60 -0.46 1.96 0.00 0.00 0.00 179.25 181.28 1nfq h GLN 67 N 0.87 0.29 -0.53 0.00 4.20 -1.61 -2.16 115.11 116.17 1nfq h GLN 67 Ca 0.18 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1nfq h GLN 67 Cb 0.41 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1nfq h GLN 67 CO 0.01 0.69 0.20 -1.49 -0.67 0.00 0.00 178.83 177.57 1nfq h TRP 68 N 0.23 0.82 -0.76 2.96 4.06 -1.19 -0.58 115.95 121.50 1nfq h TRP 68 Ca 0.01 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 1nfq h TRP 68 Cb 0.91 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.79 1nfq h TRP 68 CO 0.02 0.68 0.43 -0.22 -3.56 0.00 0.00 178.44 175.79 1nfq h LYS 69 N 0.72 1.04 -0.80 0.49 3.64 -1.17 -0.61 116.57 119.89 1nfq h LYS 69 Ca 0.17 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1nfq h LYS 69 Cb 0.22 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1nfq h LYS 69 CO -0.01 0.76 0.32 0.00 -2.27 0.00 0.00 179.45 178.25 1nfq h ALA 70 N 1.22 1.03 -0.54 5.00 0.00 -1.05 0.19 119.26 125.12 1nfq h ALA 70 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nfq h ALA 70 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1nfq h ALA 70 CO -0.05 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.05 1nfq h ALA 71 N 1.17 0.71 -0.42 0.00 0.00 -0.45 -1.51 119.26 118.77 1nfq h ALA 71 Ca 0.27 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1nfq h ALA 71 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nfq h ALA 71 CO -0.02 0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.84 1nfq h VAL 72 N 0.75 1.26 -0.80 0.00 2.07 -0.75 -2.51 116.25 116.27 1nfq h VAL 72 Ca 0.18 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1nfq h VAL 72 Cb 0.24 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1nfq h VAL 72 CO -0.01 0.36 0.51 0.44 0.02 0.00 0.00 177.57 178.88 1nfq h ASP 73 N 0.57 0.94 -0.11 0.57 3.32 -0.78 -1.30 116.42 119.63 1nfq h ASP 73 Ca 0.12 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nfq h ASP 73 Cb 0.50 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1nfq h ASP 73 CO 0.02 0.70 0.07 0.74 -1.72 0.00 0.00 179.24 179.05 1nfq h THR 74 N 1.09 1.05 0.06 0.35 2.02 -1.08 -0.64 112.91 115.77 1nfq h THR 74 Ca 0.29 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1nfq h THR 74 Cb -0.09 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1nfq h THR 74 CO -0.06 0.05 -0.07 0.00 0.37 0.00 0.00 175.52 175.81 1nfq h ALA 75 N 1.01 -0.13 -0.24 6.16 0.00 -1.00 0.59 119.26 125.66 1nfq h ALA 75 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nfq h ALA 75 Cb 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nfq h ALA 75 CO -0.01 -0.58 0.13 0.28 0.00 0.00 0.00 179.25 179.07 1nfq h VAL 76 N -0.16 1.12 -0.03 0.00 2.07 -1.16 0.38 116.25 118.48 1nfq h VAL 76 Ca 0.01 -0.33 -0.24 0.00 0.82 0.00 0.00 66.70 66.96 1nfq h VAL 76 Cb 0.16 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1nfq h VAL 76 CO -0.03 0.12 -0.93 0.71 0.02 0.00 0.00 177.57 177.46 1nfq h THR 77 N 0.28 1.33 -0.00 2.57 1.35 -1.08 0.10 112.91 117.46 1nfq h THR 77 Ca 0.08 -2.26 -0.23 0.00 -0.55 0.00 0.00 66.41 63.45 1nfq h THR 77 Cb 0.08 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1nfq h THR 77 CO -0.01 0.69 -0.95 0.00 -0.25 0.00 0.00 175.52 175.00 1nfq h ALA 78 N 0.61 0.34 -0.00 6.62 0.00 -0.88 -3.38 119.26 122.57 1nfq h ALA 78 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1nfq h ALA 78 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1nfq h ALA 78 CO 0.17 0.80 -0.00 1.19 0.00 0.00 0.00 179.25 181.42 1nfq n PHE 79 N -3.75 0.00 -0.10 0.00 0.99 0.12 -5.03 117.46 109.69 1nfq n PHE 79 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 1nfq n PHE 79 Cb 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.32 1nfq n PHE 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nfq n GLY 80 N 0.14 1.11 0.00 1.37 0.00 0.36 -4.98 105.19 103.19 1nfq n GLY 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nfq n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfq n GLY 81 N -2.00 -1.47 3.02 -0.02 0.00 -1.22 -4.93 105.19 98.58 1nfq n GLY 81 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1nfq n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nfq s LEU 82 N 0.00 -0.35 -0.01 0.99 2.96 -1.26 -4.03 118.68 116.99 1nfq s LEU 82 Ca 0.00 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1nfq s LEU 82 Cb 0.00 0.79 -0.03 0.00 0.50 0.00 0.00 46.19 47.44 1nfq s LEU 82 CO 0.00 -0.25 0.04 1.41 -1.32 0.00 0.00 176.35 176.24 1nfq n HIS 83 N 5.36 0.00 -4.34 5.38 8.25 -0.22 -4.26 115.22 125.38 1nfq n HIS 83 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 1nfq n HIS 83 Cb 0.50 -0.06 -0.15 0.00 1.12 0.00 0.00 29.99 31.39 1nfq n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nfq s VAL 84 N -2.15 0.70 -0.09 1.59 1.01 -0.70 -0.47 120.40 120.30 1nfq s VAL 84 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1nfq s VAL 84 Cb 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1nfq s VAL 84 CO 0.10 0.22 -0.13 -0.22 0.00 0.00 0.00 175.10 175.06 1nfq s LEU 85 N 0.12 1.62 -0.37 3.92 2.96 -0.54 -0.58 118.68 125.80 1nfq s LEU 85 Ca -0.02 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1nfq s LEU 85 Cb -0.07 -0.94 0.10 0.00 0.50 0.00 0.00 46.19 45.79 1nfq s LEU 85 CO 0.00 0.01 0.12 -0.69 -1.32 0.00 0.00 176.35 174.47 1nfq s VAL 86 N 0.92 2.76 -1.19 1.68 1.01 -0.11 -0.11 120.40 125.37 1nfq s VAL 86 Ca -0.09 -2.19 -0.20 0.00 0.00 0.00 0.00 61.98 59.50 1nfq s VAL 86 Cb -0.15 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1nfq s VAL 86 CO 0.00 -0.63 1.73 0.20 0.00 0.00 0.00 175.10 176.40 1nfq s ASN 87 N 1.34 6.32 -0.17 3.32 0.01 0.19 -2.29 114.94 123.66 1nfq s ASN 87 Ca 0.09 -1.96 0.18 0.00 -0.71 0.00 0.00 52.86 50.46 1nfq s ASN 87 Cb -0.21 -2.58 -0.25 0.00 0.41 0.00 0.00 41.25 38.62 1nfq s ASN 87 CO -0.06 -1.70 0.11 -3.20 -1.51 0.00 0.00 177.10 170.74 1nfq n ASN 88 N 9.98 0.17 -4.66 -1.22 2.85 -1.24 -2.01 115.26 119.12 1nfq n ASN 88 Ca 0.44 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.47 1nfq n ASN 88 Cb 0.47 1.09 -0.02 0.00 1.24 0.00 0.00 39.78 42.57 1nfq n ASN 88 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nfq n ALA 89 N -2.67 0.87 -3.60 5.20 0.00 -1.03 -4.88 120.51 114.39 1nfq n ALA 89 Ca -0.29 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1nfq n ALA 89 Cb 1.07 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1nfq n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nfq s GLY 90 N -0.09 -0.32 0.28 0.00 0.00 -1.26 -4.73 107.32 101.20 1nfq s GLY 90 Ca 0.62 1.40 0.04 0.00 0.00 0.00 0.00 44.72 46.78 1nfq s GLY 90 CO 0.56 0.44 0.02 -0.26 0.00 0.00 0.00 173.10 173.86 1nfq s ILE 91 N -2.38 1.16 -0.05 0.90 -4.36 -1.26 -5.04 121.20 110.17 1nfq s ILE 91 Ca 0.11 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1nfq s ILE 91 Cb 0.01 -2.58 0.02 0.00 1.25 0.00 0.00 42.46 41.16 1nfq s ILE 91 CO -0.04 -0.16 -0.02 -0.22 0.24 0.00 0.00 174.94 174.74 1nfq s LEU 92 N -3.41 1.00 0.06 0.37 2.96 -1.26 -4.95 118.68 113.46 1nfq s LEU 92 Ca 0.33 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1nfq s LEU 92 Cb 0.07 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.31 1nfq s LEU 92 CO 0.13 -0.12 -0.06 0.54 -1.32 0.00 0.00 176.35 175.52 1nfq s ASN 93 N 1.37 0.80 0.32 3.68 2.20 -1.26 -5.16 114.94 116.90 1nfq s ASN 93 Ca -0.04 -0.77 0.03 0.00 -0.94 0.00 0.00 52.86 51.13 1nfq s ASN 93 Cb -0.13 0.09 -0.05 0.00 -2.00 0.00 0.00 41.25 39.16 1nfq s ASN 93 CO -0.02 -0.37 0.10 0.27 -2.94 0.00 0.00 177.10 174.13 1nfq s ILE 94 N -2.58 0.77 0.00 0.54 -4.36 -1.26 -4.63 121.20 109.67 1nfq s ILE 94 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1nfq s ILE 94 Cb -0.02 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1nfq s ILE 94 CO -0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1nfq n GLY 95 N -0.66 3.99 3.87 6.27 0.00 -0.44 -4.95 105.19 113.28 1nfq n GLY 95 Ca -0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1nfq n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nfq s THR 96 N -2.00 4.65 0.34 2.61 -4.23 -1.26 -4.18 115.64 111.56 1nfq s THR 96 Ca 0.00 0.85 0.14 0.00 -1.18 0.00 0.00 61.69 61.50 1nfq s THR 96 Cb 0.00 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.32 1nfq s THR 96 CO 0.00 -1.12 1.64 0.40 -0.54 0.00 0.00 174.62 175.01 1nfq h ILE 97 N -0.33 0.24 0.14 2.99 2.04 -1.96 -2.20 117.51 118.44 1nfq h ILE 97 Ca -0.44 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1nfq h ILE 97 Cb 1.19 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1nfq h ILE 97 CO 0.62 0.04 -0.07 -0.33 0.00 0.00 0.00 178.15 178.42 1nfq h GLU 98 N 0.25 -0.18 -1.04 2.37 3.07 -2.05 -3.36 114.58 113.63 1nfq h GLU 98 Ca 0.73 0.01 -0.54 0.00 -0.50 0.00 0.00 59.36 59.06 1nfq h GLU 98 Cb 1.70 0.04 -0.27 0.00 -0.84 0.00 0.00 28.75 29.37 1nfq h GLU 98 CO -0.65 0.25 0.69 -0.40 -1.40 0.00 0.00 179.01 177.51 1nfq n ASP 99 N -4.89 5.42 -4.45 1.42 3.85 -1.07 -4.87 116.55 111.95 1nfq n ASP 99 Ca -0.07 -3.56 -0.39 0.00 -0.71 0.00 0.00 54.79 50.06 1nfq n ASP 99 Cb 0.26 -0.89 -0.11 0.00 -1.35 0.00 0.00 41.12 39.02 1nfq n ASP 99 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1nfq s TYR 100 N -3.23 3.20 0.30 2.11 5.04 -0.85 -4.67 117.35 119.24 1nfq s TYR 100 Ca 0.55 -0.56 -0.29 0.00 -2.44 0.00 0.00 57.07 54.33 1nfq s TYR 100 Cb 0.45 -2.39 -0.11 0.00 0.35 0.00 0.00 41.96 40.26 1nfq s TYR 100 CO 0.05 -0.46 1.48 0.00 -1.34 0.00 0.00 175.55 175.27 1nfq s ALA 101 N 1.63 3.64 0.52 3.97 0.00 -1.26 -4.90 121.76 125.36 1nfq s ALA 101 Ca 0.05 1.44 0.27 0.00 0.00 0.00 0.00 51.96 53.71 1nfq s ALA 101 Cb -0.17 -3.58 1.62 0.00 0.00 0.00 0.00 23.12 20.98 1nfq s ALA 101 CO 0.07 -0.86 2.17 -0.07 0.00 0.00 0.00 175.76 177.08 1nfq h LEU 102 N 4.40 0.00 -0.46 0.00 3.38 -1.99 -1.39 115.31 119.27 1nfq h LEU 102 Ca -0.48 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.32 1nfq h LEU 102 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1nfq h LEU 102 CO 0.74 0.05 -0.72 0.71 0.09 0.00 0.00 178.44 179.31 1nfq h THR 103 N 0.00 1.40 -0.26 0.22 1.35 -1.99 -1.52 112.91 112.11 1nfq h THR 103 Ca -0.00 -2.19 -0.15 0.00 -0.55 0.00 0.00 66.41 63.52 1nfq h THR 103 Cb 0.13 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1nfq h THR 103 CO 0.01 0.65 -0.46 -0.33 -0.25 0.00 0.00 175.52 175.13 1nfq h GLU 104 N 0.21 0.67 -0.20 4.72 5.08 -1.65 -0.84 114.58 122.57 1nfq h GLU 104 Ca -0.03 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1nfq h GLU 104 Cb 1.28 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1nfq h GLU 104 CO 0.12 0.99 0.11 2.35 -1.00 0.00 0.00 179.01 181.58 1nfq h TRP 105 N 0.54 0.28 -0.67 4.33 2.91 -1.24 -1.51 115.95 120.59 1nfq h TRP 105 Ca 0.03 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 1nfq h TRP 105 Cb 1.01 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.54 1nfq h TRP 105 CO 0.05 0.27 0.08 1.96 -1.03 0.00 0.00 178.44 179.77 1nfq h GLN 106 N 0.22 1.12 -0.28 2.65 1.08 -1.19 -2.46 115.11 116.24 1nfq h GLN 106 Ca 0.07 -0.31 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1nfq h GLN 106 Cb 0.08 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1nfq h GLN 106 CO -0.01 1.03 0.17 -0.09 -0.95 0.00 0.00 178.83 178.99 1nfq h ARG 107 N 1.04 0.37 -0.05 1.46 9.65 -0.94 -1.31 114.38 124.61 1nfq h ARG 107 Ca 0.20 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.95 1nfq h ARG 107 Cb 0.47 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1nfq h ARG 107 CO 0.02 0.28 -0.42 0.97 2.80 0.00 0.00 179.97 183.61 1nfq h ILE 108 N 0.36 1.31 -0.47 1.20 2.10 -1.22 -2.20 117.51 118.59 1nfq h ILE 108 Ca 0.10 -1.51 -0.09 0.00 1.08 0.00 0.00 64.86 64.44 1nfq h ILE 108 Cb -0.00 1.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.46 1nfq h ILE 108 CO -0.02 0.44 -0.07 -0.07 -1.08 0.00 0.00 178.15 177.35 1nfq h LEU 109 N 0.09 0.87 -0.05 2.19 4.07 -1.13 -0.82 115.31 120.53 1nfq h LEU 109 Ca 0.01 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 1nfq h LEU 109 Cb 0.79 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1nfq h LEU 109 CO 0.06 1.01 0.03 0.44 -1.08 0.00 0.00 178.44 178.89 1nfq h ASP 110 N 0.72 0.07 0.21 -0.43 3.32 -0.93 -0.73 116.42 118.65 1nfq h ASP 110 Ca 0.12 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1nfq h ASP 110 Cb 0.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1nfq h ASP 110 CO 0.04 0.18 -0.10 0.58 -1.72 0.00 0.00 179.24 178.21 1nfq h VAL 111 N -0.04 0.22 0.00 -1.35 2.07 -1.42 0.16 116.25 115.90 1nfq h VAL 111 Ca 0.02 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1nfq h VAL 111 Cb 0.12 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1nfq h VAL 111 CO -0.00 0.06 -0.43 0.78 0.02 0.00 0.00 177.57 178.00 1nfq h ASN 112 N -1.04 0.00 0.00 0.57 4.21 -1.28 -3.12 115.58 114.92 1nfq h ASN 112 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1nfq h ASN 112 Cb 0.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1nfq h ASN 112 CO 0.05 0.43 -0.41 -0.11 -1.29 0.00 0.00 177.43 176.10 1nfq n LEU 113 N -3.89 1.27 -0.16 1.61 7.94 -0.84 -4.43 117.00 118.51 1nfq n LEU 113 Ca -0.01 0.19 -0.01 0.00 -1.11 0.00 0.00 56.01 55.08 1nfq n LEU 113 Cb 0.48 -0.49 0.24 0.00 0.53 0.00 0.00 43.42 44.18 1nfq n LEU 113 CO 0.39 -0.52 1.12 0.74 -1.11 0.00 0.00 177.39 178.01 1nfq h THR 114 N -0.41 1.20 -0.96 1.96 2.02 -1.10 -1.95 112.91 113.67 1nfq h THR 114 Ca 0.00 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.68 1nfq h THR 114 Cb 0.41 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1nfq h THR 114 CO 0.00 0.23 0.63 1.23 0.37 0.00 0.00 175.52 177.98 1nfq h GLY 115 N 0.96 1.40 0.99 2.16 0.00 -0.59 0.11 103.07 108.09 1nfq h GLY 115 Ca 0.22 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1nfq h GLY 115 CO -0.03 0.41 -0.12 -2.08 0.00 0.00 0.00 176.54 174.72 1nfq h VAL 116 N 1.21 1.28 -0.51 4.60 2.07 -1.53 -2.19 116.25 121.17 1nfq h VAL 116 Ca 0.38 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1nfq h VAL 116 Cb 0.00 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1nfq h VAL 116 CO -0.12 0.41 0.24 0.15 0.02 0.00 0.00 177.57 178.27 1nfq h PHE 117 N 0.61 0.75 -0.70 1.57 3.57 -0.67 -2.42 116.94 119.64 1nfq h PHE 117 Ca 0.10 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1nfq h PHE 117 Cb 0.65 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1nfq h PHE 117 CO 0.05 0.59 0.36 -0.07 -2.23 0.00 0.00 178.31 177.01 1nfq h LEU 118 N 0.69 0.88 -0.69 0.59 3.38 -0.72 -1.71 115.31 117.72 1nfq h LEU 118 Ca 0.18 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1nfq h LEU 118 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1nfq h LEU 118 CO -0.02 0.73 0.23 1.23 0.09 0.00 0.00 178.44 180.70 1nfq h GLY 119 N 1.04 1.15 0.96 0.83 0.00 -1.11 -1.75 103.07 104.19 1nfq h GLY 119 Ca 0.25 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1nfq h GLY 119 CO -0.04 0.63 0.02 -2.22 0.00 0.00 0.00 176.54 174.93 1nfq h ILE 120 N 1.01 1.26 -0.71 2.60 2.04 -0.99 -2.44 117.51 120.27 1nfq h ILE 120 Ca 0.22 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1nfq h ILE 120 Cb 0.28 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1nfq h ILE 120 CO -0.01 0.34 0.40 0.03 0.00 0.00 0.00 178.15 178.91 1nfq h ARG 121 N 0.58 0.97 -0.04 2.37 3.08 -1.16 -2.71 114.38 117.47 1nfq h ARG 121 Ca 0.12 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1nfq h ARG 121 Cb 0.46 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1nfq h ARG 121 CO 0.02 0.70 -0.52 0.00 -1.07 0.00 0.00 179.97 179.10 1nfq h ALA 122 N 1.46 1.06 0.00 0.04 0.00 -1.08 -3.31 119.26 117.44 1nfq h ALA 122 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nfq h ALA 122 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nfq h ALA 122 CO -0.04 0.66 -0.87 1.33 0.00 0.00 0.00 179.25 180.33 1nfq n VAL 123 N -3.93 0.01 -0.29 0.00 0.24 -0.94 -4.48 118.33 108.95 1nfq n VAL 123 Ca -0.02 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.24 1nfq n VAL 123 Cb 0.54 0.71 0.15 0.00 -1.47 0.00 0.00 33.84 33.77 1nfq n VAL 123 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1nfq h VAL 124 N 0.00 1.24 0.72 3.34 -1.51 -1.57 -2.64 116.25 115.82 1nfq h VAL 124 Ca 0.00 -0.55 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1nfq h VAL 124 Cb 0.52 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 1nfq h VAL 124 CO 0.00 0.26 -0.50 0.50 -1.23 0.00 0.00 177.57 176.60 1nfq h LYS 125 N 1.16 -1.12 -0.49 5.19 3.64 -1.80 0.20 116.57 123.36 1nfq h LYS 125 Ca 0.30 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1nfq h LYS 125 Cb -0.01 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1nfq h LYS 125 CO -0.05 -0.74 0.23 -1.00 -2.27 0.00 0.00 179.45 175.62 1nfq h PRO 126 N -1.16 0.68 -0.46 1.90 0.13 -1.85 -2.20 132.00 129.04 1nfq h PRO 126 Ca -0.10 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.82 1nfq h PRO 126 Cb 0.94 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1nfq h PRO 126 CO 0.06 0.53 -0.24 0.52 -0.23 0.00 0.00 178.00 178.64 1nfq h MET 127 N 0.68 0.97 -0.11 0.86 2.86 -1.27 -2.54 114.93 116.38 1nfq h MET 127 Ca 0.17 -0.43 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1nfq h MET 127 Cb 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1nfq h MET 127 CO -0.02 1.10 -0.24 0.87 1.06 0.00 0.00 176.91 179.68 1nfq h LYS 128 N 0.82 0.20 -0.13 1.72 1.57 -0.31 -0.48 116.57 119.94 1nfq h LYS 128 Ca 0.10 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1nfq h LYS 128 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1nfq h LYS 128 CO 0.07 0.44 -0.52 0.93 -0.57 0.00 0.00 179.45 179.80 1nfq h GLU 129 N 0.18 0.37 0.00 3.15 5.08 -1.22 -2.71 114.58 119.43 1nfq h GLU 129 Ca 0.03 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1nfq h GLU 129 Cb 0.54 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nfq h GLU 129 CO 0.04 0.80 -0.11 0.00 -1.00 0.00 0.00 179.01 178.74 1nfq h ALA 130 N 1.16 0.94 -0.24 3.43 0.00 -1.03 -3.47 119.26 120.05 1nfq h ALA 130 Ca 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1nfq h ALA 130 Cb 1.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1nfq h ALA 130 CO 0.09 0.08 -0.09 0.41 0.00 0.00 0.00 179.25 179.74 1nfq n GLY 131 N 1.12 0.71 3.48 0.00 0.00 -0.23 -5.00 105.19 105.27 1nfq n GLY 131 Ca 0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1nfq n GLY 131 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nfq s ARG 132 N -2.49 1.10 0.00 1.61 1.70 -1.07 -4.37 118.95 115.43 1nfq s ARG 132 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 1nfq s ARG 132 Cb 0.00 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1nfq s ARG 132 CO 0.00 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 1nfq n GLY 133 N 0.14 2.09 2.72 3.88 0.00 -1.13 -4.66 105.19 108.23 1nfq n GLY 133 Ca -0.16 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1nfq n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nfq s SER 134 N 0.00 1.38 -0.18 1.61 0.15 0.39 -1.00 113.70 116.05 1nfq s SER 134 Ca 0.00 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 1nfq s SER 134 Cb 0.00 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1nfq s SER 134 CO 0.00 -0.22 -0.03 -0.63 1.20 0.00 0.00 173.24 173.56 1nfq s ILE 135 N 2.07 3.77 -0.27 6.45 1.01 0.85 -1.46 121.20 133.61 1nfq s ILE 135 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1nfq s ILE 135 Cb -0.12 -2.68 0.05 0.00 0.01 0.00 0.00 42.46 39.72 1nfq s ILE 135 CO -0.04 0.45 -0.06 -0.63 0.00 0.00 0.00 174.94 174.66 1nfq s ILE 136 N 0.84 2.57 -0.22 2.92 1.01 0.84 -1.55 121.20 127.61 1nfq s ILE 136 Ca -0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 60.65 59.05 1nfq s ILE 136 Cb -0.14 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1nfq s ILE 136 CO 0.02 -0.03 0.30 0.20 0.00 0.00 0.00 174.94 175.43 1nfq s ASN 137 N 1.19 6.30 -0.52 3.58 0.01 -0.04 -0.63 114.94 124.83 1nfq s ASN 137 Ca -0.06 0.35 -0.23 0.00 -0.71 0.00 0.00 52.86 52.21 1nfq s ASN 137 Cb -0.19 -2.18 0.04 0.00 0.41 0.00 0.00 41.25 39.33 1nfq s ASN 137 CO -0.04 -0.02 0.83 -0.63 -1.51 0.00 0.00 177.10 175.73 1nfq s ILE 138 N 1.23 4.56 0.00 0.60 -1.09 -0.85 -0.88 121.20 124.78 1nfq s ILE 138 Ca 0.14 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1nfq s ILE 138 Cb -0.14 -4.43 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 1nfq s ILE 138 CO 0.07 -0.95 0.00 -0.24 -1.23 0.00 0.00 174.94 172.58 1nfq n SER 139 N 6.98 0.00 -3.71 3.58 2.88 0.57 -4.92 113.62 119.01 1nfq n SER 139 Ca -0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.56 1nfq n SER 139 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1nfq n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nfq s SER 140 N -0.91 -0.02 0.15 -3.46 1.04 -1.24 -4.46 113.70 104.79 1nfq s SER 140 Ca 0.00 -0.13 0.20 0.00 0.48 0.00 0.00 55.95 56.50 1nfq s SER 140 Cb 0.00 0.12 0.84 0.00 0.10 0.00 0.00 66.02 67.08 1nfq s SER 140 CO 0.00 -0.23 1.62 2.30 0.98 0.00 0.00 173.24 177.92 1nfq n ILE 141 N -0.67 0.87 1.27 -1.02 -5.35 -1.08 -0.68 119.36 112.70 1nfq n ILE 141 Ca -0.03 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 1nfq n ILE 141 Cb 0.61 -1.06 0.64 0.00 -1.74 0.00 0.00 39.64 38.09 1nfq n ILE 141 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nfq n GLU 142 N -1.94 0.51 -0.31 6.28 4.71 -1.26 -1.21 120.64 127.43 1nfq n GLU 142 Ca 0.03 0.04 0.11 0.00 -0.01 0.00 0.00 57.16 57.33 1nfq n GLU 142 Cb 0.22 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.42 1nfq n GLU 142 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nfq n GLY 143 N 0.61 2.31 0.00 0.62 0.00 0.15 -4.31 105.19 104.57 1nfq n GLY 143 Ca 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1nfq n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nfq n LEU 144 N 1.50 0.30 -4.02 0.99 4.77 -0.35 -4.46 117.00 115.73 1nfq n LEU 144 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1nfq n LEU 144 Cb 0.60 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1nfq n LEU 144 CO 0.16 0.05 0.02 0.00 -1.33 0.00 0.00 177.39 176.29 1nfq s ALA 145 N -1.95 0.12 0.56 -1.18 0.00 -0.92 -5.14 121.76 113.24 1nfq s ALA 145 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1nfq s ALA 145 Cb 0.00 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.20 1nfq s ALA 145 CO 0.00 -0.72 0.79 0.20 0.00 0.00 0.00 175.76 176.03 1nfq s GLY 146 N -3.03 1.77 -0.07 0.00 0.00 -1.26 -4.41 107.32 100.33 1nfq s GLY 146 Ca 0.24 -1.23 -0.09 0.00 0.00 0.00 0.00 44.72 43.63 1nfq s GLY 146 CO 0.06 -0.95 0.24 -1.59 0.00 0.00 0.00 173.10 170.87 1nfq s THR 147 N -2.80 0.02 0.42 0.90 2.01 -1.26 -5.06 115.64 109.87 1nfq s THR 147 Ca 0.56 -0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 1nfq s THR 147 Cb -0.10 -0.40 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1nfq s THR 147 CO 0.39 -0.09 1.31 -0.69 -0.69 0.00 0.00 174.62 174.85 1nfq s VAL 148 N -0.29 2.57 -1.38 3.82 1.01 -1.26 -3.11 120.40 121.75 1nfq s VAL 148 Ca -0.04 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1nfq s VAL 148 Cb -0.03 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1nfq s VAL 148 CO 0.01 0.06 0.14 0.00 0.00 0.00 0.00 175.10 175.31 1nfq n ALA 149 N -0.04 -0.79 -2.61 5.51 0.00 -1.26 -4.86 120.51 116.46 1nfq n ALA 149 Ca 0.05 0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1nfq n ALA 149 Cb 0.44 -2.20 0.04 0.00 0.00 0.00 0.00 19.45 17.73 1nfq n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfq h HIS 151 N 2.56 0.59 -0.16 0.00 -0.00 -1.81 -0.48 115.15 115.86 1nfq h HIS 151 Ca 0.01 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1nfq h HIS 151 Cb 1.30 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.54 1nfq h HIS 151 CO 0.60 0.58 -0.04 0.78 -0.00 0.00 0.00 177.93 179.85 1nfq h GLY 152 N 0.43 0.33 0.93 2.45 0.00 -1.92 -1.43 103.07 103.87 1nfq h GLY 152 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1nfq h GLY 152 CO -0.00 0.25 0.12 -1.82 0.00 0.00 0.00 176.54 175.08 1nfq h TYR 153 N 0.01 0.33 -0.32 5.60 3.20 -1.82 -1.81 116.97 122.17 1nfq h TYR 153 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1nfq h TYR 153 Cb 0.46 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1nfq h TYR 153 CO 0.05 0.32 0.17 1.15 -1.64 0.00 0.00 178.16 178.21 1nfq h THR 154 N 0.25 1.14 -0.41 1.81 2.02 -1.10 -1.18 112.91 115.44 1nfq h THR 154 Ca 0.08 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1nfq h THR 154 Cb 0.10 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1nfq h THR 154 CO -0.01 0.14 0.25 0.00 0.37 0.00 0.00 175.52 176.27 1nfq h ALA 155 N 1.04 0.52 -0.23 6.16 0.00 -1.13 -1.56 119.26 124.05 1nfq h ALA 155 Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1nfq h ALA 155 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nfq h ALA 155 CO -0.02 -0.08 -0.46 1.79 0.00 0.00 0.00 179.25 180.48 1nfq h THR 156 N 0.50 1.31 -0.00 0.00 1.35 -1.21 -1.52 112.91 113.33 1nfq h THR 156 Ca 0.16 -1.67 -0.10 0.00 -0.55 0.00 0.00 66.41 64.25 1nfq h THR 156 Cb -0.00 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1nfq h THR 156 CO -0.07 0.53 -0.49 0.11 -0.25 0.00 0.00 175.52 175.35 1nfq h LYS 157 N 0.48 0.01 -0.16 4.72 1.79 -1.03 -0.13 116.57 122.26 1nfq h LYS 157 Ca 0.03 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.28 1nfq h LYS 157 Cb 0.99 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1nfq h LYS 157 CO 0.09 0.50 -0.75 0.74 -1.08 0.00 0.00 179.45 178.94 1nfq h PHE 158 N 0.01 1.01 -0.57 -1.35 -1.00 -1.16 -2.85 116.94 111.03 1nfq h PHE 158 Ca -0.00 -0.44 -0.04 0.00 2.81 0.00 0.00 57.97 60.29 1nfq h PHE 158 Cb 0.87 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 1nfq h PHE 158 CO 0.00 1.26 0.19 0.00 -1.61 0.00 0.00 178.31 178.16 1nfq h ALA 159 N 0.62 0.74 -0.52 2.45 0.00 -0.87 -1.73 119.26 119.94 1nfq h ALA 159 Ca -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1nfq h ALA 159 Cb 1.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1nfq h ALA 159 CO 0.15 0.39 0.20 0.28 0.00 0.00 0.00 179.25 180.27 1nfq h VAL 160 N 0.79 1.20 -0.62 0.00 2.07 -1.05 0.28 116.25 118.92 1nfq h VAL 160 Ca 0.19 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1nfq h VAL 160 Cb 0.25 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1nfq h VAL 160 CO -0.01 0.25 0.23 -0.09 0.02 0.00 0.00 177.57 177.97 1nfq h ARG 161 N 0.75 0.94 -0.17 1.57 2.43 -1.20 -1.74 114.38 116.96 1nfq h ARG 161 Ca 0.18 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1nfq h ARG 161 Cb 0.17 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1nfq h ARG 161 CO -0.01 0.81 -0.44 0.78 -1.51 0.00 0.00 179.97 179.60 1nfq h GLY 162 N 0.87 0.65 1.57 2.80 0.00 -0.41 -3.09 103.07 105.46 1nfq h GLY 162 Ca 0.20 -0.81 0.03 0.00 0.00 0.00 0.00 47.33 46.75 1nfq h GLY 162 CO -0.01 0.73 0.21 -2.00 0.00 0.00 0.00 176.54 175.47 1nfq h LEU 163 N 0.25 0.25 -0.80 3.11 5.85 -0.38 -1.30 115.31 122.28 1nfq h LEU 163 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1nfq h LEU 163 Cb 1.05 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1nfq h LEU 163 CO 0.09 0.17 0.45 0.74 -0.34 0.00 0.00 178.44 179.56 1nfq h THR 164 N 0.29 1.23 -0.10 1.05 2.02 -1.23 -2.23 112.91 113.94 1nfq h THR 164 Ca 0.13 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1nfq h THR 164 Cb 0.17 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1nfq h THR 164 CO -0.03 0.26 -0.21 0.11 0.37 0.00 0.00 175.52 176.02 1nfq h LYS 165 N 1.11 0.32 -0.58 6.66 1.57 -1.25 -2.09 116.57 122.32 1nfq h LYS 165 Ca 0.28 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1nfq h LYS 165 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1nfq h LYS 165 CO -0.05 0.80 0.12 0.66 -0.57 0.00 0.00 179.45 180.41 1nfq h SER 166 N -0.11 0.90 0.37 0.86 4.64 -1.46 -2.38 113.55 116.37 1nfq h SER 166 Ca 0.00 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 1nfq h SER 166 Cb 0.79 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1nfq h SER 166 CO 0.05 0.92 -0.55 0.71 -0.87 0.00 0.00 176.83 177.08 1nfq h THR 167 N 0.85 1.37 -0.73 2.95 1.35 -1.48 -2.64 112.91 114.57 1nfq h THR 167 Ca 0.18 -1.87 -0.06 0.00 -0.55 0.00 0.00 66.41 64.11 1nfq h THR 167 Cb 0.38 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 1nfq h THR 167 CO 0.01 0.55 0.21 0.00 -0.25 0.00 0.00 175.52 176.04 1nfq h ALA 168 N 1.28 0.96 -0.55 6.62 0.00 -1.14 0.46 119.26 126.90 1nfq h ALA 168 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1nfq h ALA 168 Cb 1.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1nfq h ALA 168 CO 0.08 0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 179.81 1nfq h LEU 169 N 1.10 1.04 -0.21 0.00 3.38 -1.33 -0.71 115.31 118.59 1nfq h LEU 169 Ca 0.23 -0.35 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1nfq h LEU 169 Cb 0.33 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1nfq h LEU 169 CO -0.00 1.15 -0.56 -0.08 0.09 0.00 0.00 178.44 179.04 1nfq h GLU 170 N 0.92 0.75 0.00 1.13 4.81 -1.23 -3.30 114.58 117.65 1nfq h GLU 170 Ca 0.14 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1nfq h GLU 170 Cb 0.69 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1nfq h GLU 170 CO 0.05 1.15 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.93 1nfq h LEU 171 N 0.47 0.00 -0.56 1.64 3.38 -0.91 -3.38 115.31 115.94 1nfq h LEU 171 Ca -0.01 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1nfq h LEU 171 Cb 1.17 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 1nfq h LEU 171 CO 0.12 0.07 -0.24 1.23 0.09 0.00 0.00 178.44 179.72 1nfq h GLY 172 N 4.46 0.16 1.60 0.83 0.00 -1.17 0.17 103.07 109.12 1nfq h GLY 172 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.65 1nfq h GLY 172 CO 0.00 -0.22 0.19 -2.55 0.00 0.00 0.00 176.54 173.95 1nfq h PRO 173 N -0.10 0.00 -0.18 4.80 0.11 -1.80 0.23 132.00 135.06 1nfq h PRO 173 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1nfq h PRO 173 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1nfq h PRO 173 CO -0.62 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.60 1nfq n SER 174 N -3.13 2.14 0.00 -2.05 7.64 0.03 -4.92 113.62 113.33 1nfq n SER 174 Ca -0.02 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1nfq n SER 174 Cb 0.26 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1nfq n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfq n GLY 175 N 1.24 0.53 3.60 0.23 0.00 0.07 -3.84 105.19 107.02 1nfq n GLY 175 Ca 0.17 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1nfq n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfq s ILE 176 N -2.00 4.66 -0.06 -0.61 1.01 -1.11 -2.85 121.20 120.25 1nfq s ILE 176 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1nfq s ILE 176 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1nfq s ILE 176 CO 0.00 0.45 0.12 -0.13 0.00 0.00 0.00 174.94 175.37 1nfq s ARG 177 N 0.52 3.27 -0.09 2.79 0.52 -0.17 -3.56 118.95 122.23 1nfq s ARG 177 Ca 0.03 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1nfq s ARG 177 Cb -0.13 -3.02 0.03 0.00 0.52 0.00 0.00 34.95 32.34 1nfq s ARG 177 CO 0.01 0.71 -0.05 0.08 0.02 0.00 0.00 175.30 176.07 1nfq s VAL 178 N -1.13 0.75 0.08 3.52 1.01 -1.26 -0.11 120.40 123.26 1nfq s VAL 178 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1nfq s VAL 178 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1nfq s VAL 178 CO 0.10 0.32 -0.07 0.20 0.00 0.00 0.00 175.10 175.65 1nfq s ASN 179 N 1.70 1.01 0.02 3.32 0.01 -0.59 0.14 114.94 120.55 1nfq s ASN 179 Ca 0.03 -0.87 0.06 0.00 -0.71 0.00 0.00 52.86 51.37 1nfq s ASN 179 Cb -0.13 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 1nfq s ASN 179 CO -0.06 -0.40 -0.18 -0.94 -1.51 0.00 0.00 177.10 174.01 1nfq s SER 180 N -2.61 3.81 -0.12 -1.22 1.04 -0.61 -0.87 113.70 113.12 1nfq s SER 180 Ca 0.05 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1nfq s SER 180 Cb 0.01 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 1nfq s SER 180 CO -0.04 0.28 -0.05 -0.63 0.98 0.00 0.00 173.24 173.78 1nfq s ILE 181 N -0.87 3.78 -0.50 -1.02 1.01 -0.05 -0.53 121.20 123.02 1nfq s ILE 181 Ca 0.14 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1nfq s ILE 181 Cb -0.10 -2.61 0.13 0.00 0.01 0.00 0.00 42.46 39.89 1nfq s ILE 181 CO 0.04 0.54 0.25 -1.00 0.00 0.00 0.00 174.94 174.77 1nfq s HIS 182 N -0.16 2.90 0.49 3.97 3.76 0.31 -0.31 115.29 126.25 1nfq s HIS 182 Ca 0.02 -3.00 -0.04 0.00 -0.15 0.00 0.00 55.06 51.89 1nfq s HIS 182 Cb -0.13 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.93 1nfq s HIS 182 CO 0.03 -0.75 0.78 -1.25 -0.85 0.00 0.00 174.74 172.70 1nfq s PRO 183 N -0.13 3.37 0.00 8.40 0.04 -1.26 -1.93 135.00 143.48 1nfq s PRO 183 Ca 0.17 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1nfq s PRO 183 Cb -0.26 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1nfq s PRO 183 CO -0.00 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1nfq n GLY 184 N -2.28 1.53 3.68 0.56 0.00 -0.86 -2.62 105.19 105.21 1nfq n GLY 184 Ca 0.01 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1nfq n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nfq s LEU 185 N 0.00 4.28 -0.01 0.99 2.96 -1.26 -4.94 118.68 120.70 1nfq s LEU 185 Ca 0.00 1.90 0.07 0.00 -0.22 0.00 0.00 54.13 55.88 1nfq s LEU 185 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1nfq s LEU 185 CO 0.00 -0.64 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.46 1nfq s VAL 186 N 2.41 1.87 -0.76 1.68 1.01 -1.26 -1.27 120.40 124.08 1nfq s VAL 186 Ca 0.58 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1nfq s VAL 186 Cb -0.26 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1nfq s VAL 186 CO 0.23 0.51 1.70 -0.54 0.00 0.00 0.00 175.10 177.00 1nfq s LYS 187 N -0.60 2.85 0.21 2.72 1.02 -0.80 -4.73 119.74 120.41 1nfq s LYS 187 Ca 0.09 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.03 1nfq s LYS 187 Cb -0.09 -4.62 -0.03 0.00 -0.52 0.00 0.00 37.83 32.58 1nfq s LYS 187 CO -0.01 -2.69 0.26 0.95 -0.92 0.00 0.00 175.35 172.94 1nfq s THR 188 N 8.09 0.01 0.61 2.17 -4.23 -1.26 -4.60 115.64 116.42 1nfq s THR 188 Ca 0.58 -1.74 0.39 0.00 -1.18 0.00 0.00 61.69 59.74 1nfq s THR 188 Cb -0.09 -2.31 0.41 0.00 1.34 0.00 0.00 72.50 71.85 1nfq s THR 188 CO 0.11 -0.05 2.31 1.55 -0.54 0.00 0.00 174.62 177.99 1nfq h PRO 189 N 2.51 0.00 0.00 3.99 0.13 -1.98 -1.38 132.00 135.26 1nfq h PRO 189 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1nfq h PRO 189 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nfq h PRO 189 CO 0.47 0.01 -0.14 1.98 -0.23 0.00 0.00 178.00 180.09 1nfq h MET 190 N 0.00 0.00 0.00 0.86 4.05 -1.96 -3.31 114.93 114.57 1nfq h MET 190 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1nfq h MET 190 Cb 0.04 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.75 1nfq h MET 190 CO 0.00 0.14 -0.53 0.25 0.23 0.00 0.00 176.91 177.00 1nfq n THR 191 N -3.33 0.57 0.50 -0.77 -2.24 -0.61 -4.82 114.28 103.58 1nfq n THR 191 Ca -0.00 -0.97 0.09 0.00 -2.27 0.00 0.00 64.05 60.90 1nfq n THR 191 Cb 0.36 0.41 0.38 0.00 -2.10 0.00 0.00 70.33 69.38 1nfq n THR 191 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nfq n ASP 192 N -0.26 0.21 -0.47 3.42 5.68 -0.68 -1.94 116.55 122.51 1nfq n ASP 192 Ca 0.06 0.55 0.13 0.00 -0.50 0.00 0.00 54.79 55.03 1nfq n ASP 192 Cb 0.79 -0.60 0.31 0.00 -1.14 0.00 0.00 41.12 40.49 1nfq n ASP 192 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nfq n TRP 193 N -1.73 0.00 -3.76 2.11 4.27 -1.26 -4.88 117.44 112.18 1nfq n TRP 193 Ca 0.03 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.28 1nfq n TRP 193 Cb 0.20 -0.04 -0.07 0.00 -1.36 0.00 0.00 31.31 30.04 1nfq n TRP 193 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1nfq s VAL 194 N -2.27 5.43 0.21 -1.67 1.01 -0.82 -5.05 120.40 117.23 1nfq s VAL 194 Ca 0.28 0.24 -0.32 0.00 0.00 0.00 0.00 61.98 62.18 1nfq s VAL 194 Cb 0.20 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 1nfq s VAL 194 CO 0.44 0.50 1.71 -2.16 0.00 0.00 0.00 175.10 175.59 1nfq s PRO 195 N -0.15 4.13 0.21 2.72 0.04 -1.26 -4.84 135.00 135.85 1nfq s PRO 195 Ca 0.11 2.59 0.10 0.00 0.04 0.00 0.00 61.00 63.85 1nfq s PRO 195 Cb -0.12 -3.08 0.55 0.00 0.04 0.00 0.00 34.50 31.89 1nfq s PRO 195 CO 0.01 -0.74 1.21 0.39 0.04 0.00 0.00 177.00 177.90 1nfq n GLU 196 N 3.95 0.07 -0.76 4.56 1.02 -1.26 -1.67 120.64 126.55 1nfq n GLU 196 Ca 0.16 0.51 0.01 0.00 -0.02 0.00 0.00 57.16 57.81 1nfq n GLU 196 Cb 0.35 -1.92 0.19 0.00 -0.02 0.00 0.00 31.44 30.05 1nfq n GLU 196 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1nfq n ASP 197 N -1.85 2.15 0.09 1.62 5.75 -1.26 -3.95 116.55 119.10 1nfq n ASP 197 Ca -0.01 -3.87 0.02 0.00 -0.01 0.00 0.00 54.79 50.92 1nfq n ASP 197 Cb 0.21 -0.54 0.38 0.00 -1.03 0.00 0.00 41.12 40.14 1nfq n ASP 197 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1nfq h ILE 198 N 1.09 1.17 -2.83 2.12 6.09 -1.69 -3.42 117.51 120.03 1nfq h ILE 198 Ca 0.08 -0.70 -0.64 0.00 -1.37 0.00 0.00 64.86 62.23 1nfq h ILE 198 Cb 1.18 1.09 -0.05 0.00 0.47 0.00 0.00 36.82 39.50 1nfq h ILE 198 CO 0.15 0.23 -0.46 -0.36 -3.07 0.00 0.00 178.15 174.64 1nfq s PHE 199 N -4.85 3.56 -0.28 2.19 2.99 -1.26 -5.05 117.98 115.27 1nfq s PHE 199 Ca -0.06 0.42 -0.29 0.00 0.00 0.00 0.00 56.93 57.00 1nfq s PHE 199 Cb 0.16 -1.88 0.01 0.00 0.00 0.00 0.00 43.02 41.31 1nfq s PHE 199 CO 0.74 0.64 1.05 -0.65 -0.00 0.00 0.00 175.22 177.00 1nfq s GLN 200 N -1.87 4.15 0.27 0.44 -0.21 -1.26 -4.99 119.66 116.20 1nfq s GLN 200 Ca 0.27 1.19 0.10 0.00 0.02 0.00 0.00 55.36 56.94 1nfq s GLN 200 Cb -0.13 -3.69 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 1nfq s GLN 200 CO 0.17 -0.77 -0.16 0.95 -2.12 0.00 0.00 175.29 173.37 1nfq s THR 201 N 3.42 2.21 0.00 -0.19 -4.23 -1.26 -4.03 115.64 111.56 1nfq s THR 201 Ca 0.44 -2.31 0.11 0.00 -1.18 0.00 0.00 61.69 58.75 1nfq s THR 201 Cb -0.14 -2.30 -0.18 0.00 1.34 0.00 0.00 72.50 71.22 1nfq s THR 201 CO 0.11 -0.41 1.02 0.00 -0.54 0.00 0.00 174.62 174.81 1nfq h ALA 202 N 2.30 0.57 0.00 3.99 0.00 -1.03 -3.30 119.26 121.79 1nfq h ALA 202 Ca -0.40 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.46 1nfq h ALA 202 Cb 1.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nfq h ALA 202 CO 0.63 1.26 -0.27 1.28 0.00 0.00 0.00 179.25 182.15 1nfq n LEU 203 N -3.17 0.66 -2.68 0.00 4.77 -1.10 -4.97 117.00 110.50 1nfq n LEU 203 Ca -0.07 0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1nfq n LEU 203 Cb 0.95 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.81 1nfq n LEU 203 CO 0.45 -0.09 0.14 0.61 -1.33 0.00 0.00 177.39 177.17 1nfq n GLY 204 N 1.35 -0.10 3.60 -0.72 0.00 -1.25 -5.01 105.19 103.06 1nfq n GLY 204 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1nfq n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nfq s ARG 205 N -5.60 0.44 0.59 1.61 1.70 -1.26 -5.08 118.95 111.35 1nfq s ARG 205 Ca 0.27 -0.19 -0.06 0.00 -0.47 0.00 0.00 55.73 55.28 1nfq s ARG 205 Cb -0.12 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.45 1nfq s ARG 205 CO 0.51 -0.20 0.90 0.00 -1.08 0.00 0.00 175.30 175.44 1nfq s ALA 206 N -2.56 3.29 0.26 7.88 0.00 -1.25 -4.96 121.76 124.41 1nfq s ALA 206 Ca 0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1nfq s ALA 206 Cb 0.00 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 1nfq s ALA 206 CO -0.05 -0.79 0.53 0.00 0.00 0.00 0.00 175.76 175.46 1nfq s ALA 207 N -2.99 3.63 0.08 0.00 0.00 -0.40 -4.95 121.76 117.12 1nfq s ALA 207 Ca 0.54 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 1nfq s ALA 207 Cb -0.11 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 1nfq s ALA 207 CO 0.46 0.36 0.52 -1.21 0.00 0.00 0.00 175.76 175.88 1nfq s GLU 208 N -3.27 4.06 0.50 0.00 0.41 -1.26 -1.90 118.70 117.24 1nfq s GLU 208 Ca 0.44 0.58 0.26 0.00 -0.41 0.00 0.00 54.97 55.85 1nfq s GLU 208 Cb -0.11 -3.14 1.34 0.00 -1.78 0.00 0.00 34.13 30.44 1nfq s GLU 208 CO 0.27 0.61 1.90 -1.00 -0.49 0.00 0.00 175.26 176.55 1nfq h PRO 209 N 4.28 0.12 0.00 0.39 0.13 -1.95 -0.30 132.00 134.67 1nfq h PRO 209 Ca -0.50 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1nfq h PRO 209 Cb 1.21 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nfq h PRO 209 CO 0.64 0.08 -0.13 -0.24 -0.23 0.00 0.00 178.00 178.12 1nfq h VAL 210 N 0.13 0.86 0.00 1.56 3.04 -1.94 -1.28 116.25 118.61 1nfq h VAL 210 Ca 0.40 -0.50 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 1nfq h VAL 210 Cb 1.39 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.95 1nfq h VAL 210 CO -0.06 0.13 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.11 1nfq h GLU 211 N 0.00 0.00 0.07 4.17 5.08 -1.44 -0.23 114.58 122.23 1nfq h GLU 211 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1nfq h GLU 211 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1nfq h GLU 211 CO 0.02 0.19 -1.65 0.28 -1.00 0.00 0.00 179.01 176.85 1nfq h VAL 212 N 0.00 0.97 -0.50 3.13 2.07 -1.37 -3.33 116.25 117.22 1nfq h VAL 212 Ca -0.00 -2.71 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 1nfq h VAL 212 Cb 0.42 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1nfq h VAL 212 CO 0.03 0.73 0.24 0.28 0.02 0.00 0.00 177.57 178.87 1nfq h SER 213 N 0.04 0.63 -0.67 0.57 0.02 -0.59 -1.79 113.55 111.76 1nfq h SER 213 Ca -0.28 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1nfq h SER 213 Cb 2.00 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.35 1nfq h SER 213 CO 0.12 0.53 0.45 0.78 -1.14 0.00 0.00 176.83 177.57 1nfq h ASN 214 N 0.70 0.75 0.40 3.07 2.35 -1.18 -0.02 115.58 121.66 1nfq h ASN 214 Ca 0.18 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 1nfq h ASN 214 Cb 0.07 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1nfq h ASN 214 CO -0.02 0.54 -0.70 0.25 -1.65 0.00 0.00 177.43 175.85 1nfq h LEU 215 N 0.89 0.30 -0.44 1.61 5.85 -1.48 -2.31 115.31 119.72 1nfq h LEU 215 Ca 0.25 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1nfq h LEU 215 Cb -0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1nfq h LEU 215 CO -0.06 0.91 0.03 0.58 -0.34 0.00 0.00 178.44 179.56 1nfq h VAL 216 N 0.18 1.26 -0.42 1.05 2.07 -0.60 -1.70 116.25 118.08 1nfq h VAL 216 Ca -0.02 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1nfq h VAL 216 Cb 1.25 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1nfq h VAL 216 CO 0.11 0.34 0.22 0.58 0.02 0.00 0.00 177.57 178.84 1nfq h VAL 217 N 0.61 1.17 -0.40 2.57 2.07 -0.98 -0.13 116.25 121.15 1nfq h VAL 217 Ca 0.13 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1nfq h VAL 217 Cb 0.45 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1nfq h VAL 217 CO 0.02 0.18 0.18 0.22 0.02 0.00 0.00 177.57 178.19 1nfq h TYR 218 N 0.55 0.33 0.00 1.57 3.20 -1.24 -0.03 116.97 121.36 1nfq h TYR 218 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1nfq h TYR 218 Cb 0.09 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1nfq h TYR 218 CO -0.02 0.16 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.22 1nfq h LEU 219 N 0.38 0.00 -0.14 2.82 3.38 -1.09 -3.01 115.31 117.64 1nfq h LEU 219 Ca 0.18 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1nfq h LEU 219 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1nfq h LEU 219 CO -0.14 0.38 -0.97 0.00 0.09 0.00 0.00 178.44 177.79 1nfq h ALA 220 N 1.62 0.41 -2.47 1.53 0.00 -0.47 -3.46 119.26 116.43 1nfq h ALA 220 Ca -0.00 -0.81 -0.46 0.00 0.00 0.00 0.00 54.91 53.64 1nfq h ALA 220 Cb 0.80 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.63 1nfq h ALA 220 CO 0.05 1.03 0.30 -1.54 0.00 0.00 0.00 179.25 179.09 1nfq s SER 221 N -6.89 3.58 0.00 0.00 1.04 -0.07 -4.88 113.70 106.47 1nfq s SER 221 Ca -0.02 1.03 0.30 0.00 0.48 0.00 0.00 55.95 57.74 1nfq s SER 221 Cb 0.10 -1.64 1.59 0.00 0.10 0.00 0.00 66.02 66.17 1nfq s SER 221 CO 0.83 -2.52 2.05 0.47 0.98 0.00 0.00 173.24 175.05 1nfq n ASP 222 N -3.75 0.45 0.02 7.02 8.00 -1.26 -3.57 116.55 123.46 1nfq n ASP 222 Ca 0.06 -1.18 -0.01 0.00 0.71 0.00 0.00 54.79 54.38 1nfq n ASP 222 Cb 0.59 -0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.97 1nfq n ASP 222 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nfq h GLU 223 N 0.70 0.48 -0.92 -1.24 5.08 -1.93 -2.51 114.58 114.24 1nfq h GLU 223 Ca 0.00 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.04 1nfq h GLU 223 Cb 0.15 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 1nfq h GLU 223 CO 0.00 0.57 0.26 -1.13 -1.00 0.00 0.00 179.01 177.70 1nfq n SER 224 N -4.24 3.53 -0.23 1.42 3.41 -1.23 -4.68 113.62 111.61 1nfq n SER 224 Ca 0.01 -2.80 0.32 0.00 -0.26 0.00 0.00 58.87 56.13 1nfq n SER 224 Cb 0.29 -0.67 0.71 0.00 -0.26 0.00 0.00 64.21 64.28 1nfq n SER 224 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nfq h SER 225 N 1.13 0.00 -0.56 4.04 4.64 -1.68 -1.68 113.55 119.44 1nfq h SER 225 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1nfq h SER 225 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1nfq h SER 225 CO 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 1nfq n TYR 226 N -3.93 0.94 -3.94 4.77 9.36 -1.26 -4.90 117.16 118.21 1nfq n TYR 226 Ca 0.22 -0.55 -0.35 0.00 3.32 0.00 0.00 57.90 60.53 1nfq n TYR 226 Cb 1.17 -0.09 -0.13 0.00 -0.63 0.00 0.00 39.34 39.67 1nfq n TYR 226 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1nfq s SER 227 N -1.04 4.89 -0.10 2.98 0.01 -0.63 -5.08 113.70 114.72 1nfq s SER 227 Ca 0.41 -0.22 -0.19 0.00 1.31 0.00 0.00 55.95 57.26 1nfq s SER 227 Cb 0.24 -1.85 0.04 0.00 0.21 0.00 0.00 66.02 64.66 1nfq s SER 227 CO 0.24 0.02 0.47 0.28 0.41 0.00 0.00 173.24 174.66 1nfq s THR 228 N 1.26 0.02 -0.83 1.44 -1.32 -1.26 -4.74 115.64 110.21 1nfq s THR 228 Ca 0.04 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1nfq s THR 228 Cb -0.15 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1nfq s THR 228 CO 0.02 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1nfq n GLY 229 N 1.87 0.94 3.74 6.08 0.00 0.38 -4.95 105.19 113.26 1nfq n GLY 229 Ca -0.17 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1nfq n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfq s ALA 230 N -2.14 3.39 -0.24 4.61 0.00 -1.26 -4.66 121.76 121.47 1nfq s ALA 230 Ca 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1nfq s ALA 230 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 1nfq s ALA 230 CO 0.00 0.35 0.25 -1.21 0.00 0.00 0.00 175.76 175.15 1nfq s GLU 231 N -3.45 4.07 -0.32 0.00 2.02 -1.26 -1.57 118.70 118.19 1nfq s GLU 231 Ca 0.31 -0.12 -0.06 0.00 0.02 0.00 0.00 54.97 55.12 1nfq s GLU 231 Cb -0.08 -3.57 0.03 0.00 0.10 0.00 0.00 34.13 30.61 1nfq s GLU 231 CO 0.22 -0.04 0.08 -0.06 0.02 0.00 0.00 175.26 175.48 1nfq s PHE 232 N 1.34 3.21 -0.14 1.61 0.40 0.31 -4.99 117.98 119.72 1nfq s PHE 232 Ca 0.11 -1.32 -0.16 0.00 -0.60 0.00 0.00 56.93 54.96 1nfq s PHE 232 Cb -0.14 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1nfq s PHE 232 CO 0.07 -0.69 0.40 0.08 0.70 0.00 0.00 175.22 175.78 1nfq s VAL 233 N 1.42 5.24 -0.46 -0.44 1.01 -1.26 -0.53 120.40 125.38 1nfq s VAL 233 Ca -0.00 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1nfq s VAL 233 Cb -0.19 -3.74 0.20 0.00 0.00 0.00 0.00 36.38 32.66 1nfq s VAL 233 CO 0.02 0.35 0.44 0.55 0.00 0.00 0.00 175.10 176.46 1nfq n VAL 234 N 3.66 -0.47 -0.98 2.92 3.14 -0.82 -4.93 118.33 120.86 1nfq n VAL 234 Ca -0.09 -3.91 0.04 0.00 -2.96 0.00 0.00 64.34 57.42 1nfq n VAL 234 Cb 0.52 -1.84 0.06 0.00 -1.06 0.00 0.00 33.84 31.51 1nfq n VAL 234 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1nfq n ASP 235 N 2.15 1.44 -0.78 6.55 5.75 -1.26 -2.02 116.55 128.37 1nfq n ASP 235 Ca 0.26 -2.29 -0.10 0.00 -0.01 0.00 0.00 54.79 52.65 1nfq n ASP 235 Cb 0.48 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1nfq n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nfq n GLY 236 N -0.69 1.07 0.16 6.12 0.00 -1.26 -2.96 105.19 107.62 1nfq n GLY 236 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1nfq n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfq n GLY 237 N -0.61 0.58 0.48 -0.02 0.00 -1.26 -0.49 105.19 103.86 1nfq n GLY 237 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1nfq n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nfq h THR 238 N 0.00 0.03 0.00 2.61 2.02 -1.67 -2.57 112.91 113.33 1nfq h THR 238 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nfq h THR 238 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1nfq h THR 238 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.22 1nfq n VAL 239 N -5.52 0.26 0.54 3.16 0.24 -1.26 -2.62 118.33 113.12 1nfq n VAL 239 Ca -0.10 0.06 0.13 0.00 -2.04 0.00 0.00 64.34 62.39 1nfq n VAL 239 Cb 0.43 -0.73 0.30 0.00 -1.47 0.00 0.00 33.84 32.37 1nfq n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nfq h ALA 240 N 3.07 0.88 -1.90 2.33 0.00 -1.87 -3.46 119.26 118.30 1nfq h ALA 240 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1nfq h ALA 240 Cb 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.78 1nfq h ALA 240 CO 0.00 0.00 -0.67 0.20 0.00 0.00 0.00 179.25 178.78 1nfq s GLY 241 N -3.71 2.24 0.24 0.00 0.00 -1.08 -5.13 107.32 99.87 1nfq s GLY 241 Ca 0.09 -2.12 -0.16 0.00 0.00 0.00 0.00 44.72 42.52 1nfq s GLY 241 CO 0.64 -2.04 0.68 1.08 0.00 0.00 0.00 173.10 173.46 1nfq s LEU 242 N -3.63 4.24 -0.27 0.66 1.43 -1.26 -5.01 118.68 114.84 1nfq s LEU 242 Ca 0.33 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 1nfq s LEU 242 Cb 0.03 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1nfq s LEU 242 CO 0.17 -0.03 1.56 0.00 0.23 0.00 0.00 176.35 178.28 1nfq s ALA 243 N -1.67 3.20 0.44 4.21 0.00 -1.26 -5.00 121.76 121.68 1nfq s ALA 243 Ca 0.46 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1nfq s ALA 243 Cb -0.14 -3.87 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1nfq s ALA 243 CO 0.20 -2.07 0.29 -1.01 0.00 0.00 0.00 175.76 173.17 1nfq s HIS 244 N 5.32 2.47 -0.43 0.00 3.76 -1.26 -5.27 115.29 119.89 1nfq s HIS 244 Ca 0.69 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1nfq s HIS 244 Cb -0.22 -2.03 0.03 0.00 1.11 0.00 0.00 32.58 31.47 1nfq s HIS 244 CO 0.29 -0.05 0.61 0.09 -0.85 0.00 0.00 174.74 174.83