#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 1.24 0.21 5.00 0.00 -1.26 -4.19 105.19 106.19 1nfq n GLY 3 Ca 0.00 -0.72 0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 1.30 0.00 -0.07 1.61 3.08 -1.89 -3.08 114.38 115.34 1nfq h ARG 4 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1nfq h ARG 4 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1nfq h ARG 4 CO 0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 1nfq n LEU 5 N -2.70 2.50 -4.67 3.04 4.77 0.38 -4.71 117.00 115.61 1nfq n LEU 5 Ca 0.01 -2.64 -0.46 0.00 -0.03 0.00 0.00 56.01 52.89 1nfq n LEU 5 Cb 0.27 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1nfq n LEU 5 CO 0.24 0.64 1.18 0.41 -1.33 0.00 0.00 177.39 178.53 1nfq n THR 6 N -0.85 0.00 -0.46 -5.08 -1.04 -1.14 -1.51 114.28 104.20 1nfq n THR 6 Ca 0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1nfq n THR 6 Cb 0.53 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 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 3.38 1.06 3.87 3.41 0.00 -1.25 -5.00 105.19 110.67 1nfq n GLY 7 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 3.63 -0.13 1.61 -0.14 -0.57 -5.01 119.74 118.74 1nfq s LYS 8 Ca 0.00 0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.67 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 0.71 -0.15 0.08 -0.76 0.00 0.00 175.35 175.23 1nfq s VAL 9 N -1.13 2.88 0.10 3.17 1.01 -1.26 -1.38 120.40 123.79 1nfq s VAL 9 Ca 0.22 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1nfq s VAL 9 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1nfq s VAL 9 CO 0.11 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.52 1nfq s ALA 10 N 0.42 1.88 -0.16 5.51 0.00 0.46 -0.93 121.76 128.94 1nfq s ALA 10 Ca -0.11 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1nfq s ALA 10 Cb -0.16 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1nfq s ALA 10 CO 0.05 0.39 -0.19 -1.17 0.00 0.00 0.00 175.76 174.84 1nfq s LEU 11 N -1.89 2.23 -0.15 0.00 2.96 0.40 -0.30 118.68 121.93 1nfq s LEU 11 Ca 0.07 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1nfq s LEU 11 Cb -0.10 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1nfq s LEU 11 CO 0.04 0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.24 1nfq s VAL 12 N 1.00 1.93 0.17 1.68 1.01 -0.36 -1.01 120.40 124.82 1nfq s VAL 12 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1nfq s VAL 12 Cb -0.15 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 1nfq s VAL 12 CO -0.05 0.52 0.56 -0.94 0.00 0.00 0.00 175.10 175.19 1nfq s SER 13 N 1.06 6.79 -1.18 3.32 1.04 -0.99 -1.30 113.70 122.44 1nfq s SER 13 Ca -0.02 1.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.40 1nfq s SER 13 Cb -0.14 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.70 1nfq s SER 13 CO -0.06 0.06 1.03 0.61 0.98 0.00 0.00 173.24 175.86 1nfq n GLY 14 N 0.61 -0.35 1.16 7.32 0.00 0.51 -2.38 105.19 112.06 1nfq n GLY 14 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.80 1.88 0.20 -0.02 0.00 -0.88 -4.06 105.19 100.51 1nfq n GLY 15 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 3.95 0.90 -3.09 4.61 0.00 -1.88 -3.08 119.26 120.67 1nfq h ALA 16 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1nfq h ALA 16 Cb 0.94 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nfq h ALA 16 CO 0.08 0.28 0.19 2.89 0.00 0.00 0.00 179.25 182.69 1nfq n ARG 17 N -3.22 1.00 0.00 0.00 1.85 -1.26 -4.65 116.66 110.37 1nfq n ARG 17 Ca 0.02 -2.17 0.00 0.00 -1.00 0.00 0.00 57.85 54.70 1nfq n ARG 17 Cb 0.55 2.58 0.00 0.00 -1.05 0.00 0.00 32.46 34.54 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 -0.51 1.99 0.34 2.89 0.00 -1.26 -2.39 105.19 106.26 1nfq n GLY 18 Ca -0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.95 -0.48 1.61 2.86 -1.92 -2.51 114.93 115.45 1nfq h MET 19 Ca 0.00 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1nfq h MET 19 Cb 0.00 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.41 1nfq h MET 19 CO 0.00 0.67 0.19 0.78 1.06 0.00 0.00 176.91 179.61 1nfq h GLY 20 N 1.00 0.64 1.00 8.32 0.00 -1.66 0.18 103.07 112.54 1nfq h GLY 20 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1nfq h GLY 20 CO -0.05 0.04 0.30 0.00 0.00 0.00 0.00 176.54 176.83 1nfq h ALA 21 N 1.30 0.81 -0.97 3.60 0.00 -1.12 -1.83 119.26 121.05 1nfq h ALA 21 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nfq h ALA 21 Cb 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1nfq h ALA 21 CO -0.21 0.37 0.62 1.03 0.00 0.00 0.00 179.25 181.06 1nfq h SER 22 N 0.86 1.14 -0.60 0.00 0.87 -0.87 -1.75 113.55 113.19 1nfq h SER 22 Ca 0.22 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1nfq h SER 22 Cb 0.12 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1nfq h SER 22 CO -0.03 0.85 0.12 0.45 -0.53 0.00 0.00 176.83 177.69 1nfq h HIS 23 N 1.32 1.03 0.03 2.24 3.86 -0.15 -0.41 115.15 123.08 1nfq h HIS 23 Ca 0.35 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1nfq h HIS 23 Cb -0.11 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.07 1nfq h HIS 23 CO 0.00 0.89 -0.04 0.28 0.86 0.00 0.00 177.93 179.92 1nfq h VAL 24 N 0.88 0.91 -0.50 2.45 2.07 -0.85 -0.34 116.25 120.89 1nfq h VAL 24 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1nfq h VAL 24 Cb 0.39 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1nfq h VAL 24 CO 0.01 0.00 0.29 0.03 0.02 0.00 0.00 177.57 177.92 1nfq h ARG 25 N -0.08 0.68 -0.85 1.57 3.08 -1.19 -1.59 114.38 116.00 1nfq h ARG 25 Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1nfq h ARG 25 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1nfq h ARG 25 CO -0.02 0.51 0.40 0.00 -1.07 0.00 0.00 179.97 179.79 1nfq h ALA 26 N 1.13 1.10 -0.08 0.04 0.00 -0.85 -1.57 119.26 119.04 1nfq h ALA 26 Ca 0.18 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1nfq h ALA 26 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1nfq h ALA 26 CO -0.03 0.67 -0.66 0.52 0.00 0.00 0.00 179.25 179.75 1nfq h MET 27 N 1.21 0.33 -0.48 0.00 2.86 -0.85 -2.90 114.93 115.11 1nfq h MET 27 Ca 0.29 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1nfq h MET 27 Cb 0.14 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1nfq h MET 27 CO -0.03 0.87 -0.10 0.28 1.06 0.00 0.00 176.91 178.99 1nfq h VAL 28 N 0.23 1.27 0.00 -2.22 2.07 -1.10 -1.38 116.25 115.12 1nfq h VAL 28 Ca -0.02 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1nfq h VAL 28 Cb 1.21 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1nfq h VAL 28 CO 0.11 0.42 -0.00 0.00 0.02 0.00 0.00 177.57 178.12 1nfq h ALA 29 N 0.89 1.02 -0.70 1.67 0.00 -1.19 -0.45 119.26 120.50 1nfq h ALA 29 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nfq h ALA 29 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nfq h ALA 29 CO 0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.69 1nfq n GLU 30 N -3.11 3.15 -0.38 0.00 -0.58 -0.90 -4.68 120.64 114.14 1nfq n GLU 30 Ca -0.02 -2.73 0.00 0.00 -0.42 0.00 0.00 57.16 53.98 1nfq n GLU 30 Cb 0.12 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 1.45 0.81 3.92 0.62 0.00 -0.18 -0.47 105.19 111.33 1nfq n GLY 31 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 3.63 -0.20 4.61 0.00 -0.57 -3.76 121.76 123.46 1nfq s ALA 32 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 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 0.11 0.13 0.15 0.00 0.00 0.00 175.76 176.15 1nfq s LYS 33 N -3.88 4.17 -0.06 0.00 -0.14 -0.48 -4.29 119.74 115.05 1nfq s LYS 33 Ca 0.43 -0.23 0.04 0.00 -1.36 0.00 0.00 55.97 54.85 1nfq s LYS 33 Cb -0.10 -3.42 -0.00 0.00 -1.68 0.00 0.00 37.83 32.62 1nfq s LYS 33 CO 0.33 0.27 -0.19 0.08 -0.76 0.00 0.00 175.35 175.08 1nfq s VAL 34 N 0.43 1.65 -0.24 3.17 1.01 -0.62 -0.41 120.40 125.40 1nfq s VAL 34 Ca 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1nfq s VAL 34 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1nfq s VAL 34 CO -0.01 0.47 0.00 -0.69 0.00 0.00 0.00 175.10 174.87 1nfq s VAL 35 N 0.19 3.67 -0.02 2.92 1.01 0.59 -0.98 120.40 127.78 1nfq s VAL 35 Ca -0.09 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1nfq s VAL 35 Cb -0.14 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1nfq s VAL 35 CO 0.04 0.35 -0.23 0.72 0.00 0.00 0.00 175.10 175.99 1nfq s PHE 36 N 1.51 2.02 0.26 5.22 -0.12 -0.34 -1.22 117.98 125.31 1nfq s PHE 36 Ca 0.05 -0.38 0.10 0.00 -0.05 0.00 0.00 56.93 56.65 1nfq s PHE 36 Cb -0.15 -1.30 -0.05 0.00 -0.63 0.00 0.00 43.02 40.89 1nfq s PHE 36 CO -0.01 -0.03 -0.17 0.20 -0.05 0.00 0.00 175.22 175.16 1nfq s GLY 37 N -0.53 1.74 0.02 1.99 0.00 -0.42 -1.87 107.32 108.26 1nfq s GLY 37 Ca 0.09 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 42.95 1nfq s GLY 37 CO -0.01 -1.89 0.20 1.34 0.00 0.00 0.00 173.10 172.74 1nfq n ASP 38 N -0.54 -0.29 -0.13 1.64 -0.08 -1.14 -0.36 116.55 115.65 1nfq n ASP 38 Ca -0.06 -1.13 0.02 0.00 -1.51 0.00 0.00 54.79 52.10 1nfq n ASP 38 Cb 0.61 0.47 0.01 0.00 2.34 0.00 0.00 41.12 44.54 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 -0.14 0.00 -3.19 5.18 -5.35 -1.26 -0.39 119.36 114.21 1nfq n ILE 39 Ca -0.00 -0.49 -0.44 0.00 -0.27 0.00 0.00 62.75 61.54 1nfq n ILE 39 Cb 0.11 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 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 0.08 5.88 -0.32 7.28 4.77 -1.26 -4.89 117.00 128.54 1nfq n LEU 40 Ca 0.02 -5.09 0.06 0.00 -0.03 0.00 0.00 56.01 50.97 1nfq n LEU 40 Cb 0.09 -1.41 0.26 0.00 -2.33 0.00 0.00 43.42 40.04 1nfq n LEU 40 CO 0.03 1.47 1.24 0.44 -1.33 0.00 0.00 177.39 179.23 1nfq h ASP 41 N 6.19 0.87 0.65 -1.43 3.32 -1.97 -0.69 116.42 123.35 1nfq h ASP 41 Ca 0.19 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1nfq h ASP 41 Cb 0.77 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1nfq h ASP 41 CO 1.15 0.51 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.51 1nfq h GLU 42 N 0.96 -0.88 -0.74 3.56 3.07 -1.99 0.03 114.58 118.59 1nfq h GLU 42 Ca 0.44 0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.33 1nfq h GLU 42 Cb 0.39 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 1nfq h GLU 42 CO -0.20 -0.59 0.36 0.93 -1.40 0.00 0.00 179.01 178.12 1nfq h GLU 43 N -0.91 1.05 0.07 2.33 3.07 -1.89 -1.53 114.58 116.77 1nfq h GLU 43 Ca -0.09 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1nfq h GLU 43 Cb 0.71 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1nfq h GLU 43 CO 0.12 0.80 -0.04 0.78 -1.40 0.00 0.00 179.01 179.28 1nfq h GLY 44 N 1.09 -0.11 1.86 -3.84 0.00 -0.88 -2.31 103.07 98.89 1nfq h GLY 44 Ca 0.26 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1nfq h GLY 44 CO -0.03 -0.04 -0.28 0.50 0.00 0.00 0.00 176.54 176.69 1nfq h LYS 45 N -0.13 0.17 0.59 4.80 1.57 -0.86 -1.84 116.57 120.87 1nfq h LYS 45 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1nfq h LYS 45 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1nfq h LYS 45 CO 0.02 0.44 -0.35 0.00 -0.57 0.00 0.00 179.45 178.99 1nfq h ALA 46 N 1.56 -0.89 0.00 3.86 0.00 -0.92 -2.45 119.26 120.43 1nfq h ALA 46 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nfq h ALA 46 Cb 0.58 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1nfq h ALA 46 CO 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 179.25 178.28 1nfq n MET 47 N -5.49 0.20 0.18 0.00 0.00 -0.90 -2.18 117.12 108.94 1nfq n MET 47 Ca -0.13 0.25 0.05 0.00 0.00 0.00 0.00 57.70 57.88 1nfq n MET 47 Cb 0.38 -1.77 0.33 0.00 0.00 0.00 0.00 33.22 32.16 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 1.03 -0.19 3.17 0.00 -1.05 -3.01 119.26 121.71 1nfq h ALA 48 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1nfq h ALA 48 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nfq h ALA 48 CO 0.00 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 1nfq h ALA 49 N 1.61 0.26 -0.03 0.00 0.00 -0.97 0.85 119.26 120.98 1nfq h ALA 49 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nfq h ALA 49 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1nfq h ALA 49 CO 0.05 0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.55 1nfq n GLU 50 N -4.57 1.12 0.00 0.00 0.28 -1.16 -2.33 120.64 113.98 1nfq n GLU 50 Ca -0.05 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1nfq n GLU 50 Cb 0.33 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.02 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 -0.27 0.06 0.00 -1.84 4.77 -1.11 -4.98 117.00 113.63 1nfq n LEU 51 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1nfq n LEU 51 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1nfq n LEU 51 CO 0.01 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.08 1nfq n ALA 52 N -0.02 0.00 0.08 -1.18 0.00 0.29 -0.05 120.51 119.64 1nfq n ALA 52 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1nfq n ALA 52 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.67 1nfq n ALA 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nfq h ASP 53 N 0.00 0.28 -0.05 0.00 3.32 -1.87 -3.34 116.42 114.76 1nfq h ASP 53 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1nfq h ASP 53 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1nfq h ASP 53 CO 0.00 0.93 0.00 0.00 -1.72 0.00 0.00 179.24 178.45 1nfq n ALA 54 N -2.47 2.46 -2.61 3.45 0.00 0.93 -5.03 120.51 117.24 1nfq n ALA 54 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 1nfq n ALA 54 Cb 0.72 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 1nfq n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfq s ALA 55 N -1.10 0.02 -0.03 0.00 0.00 -0.84 -1.59 121.76 118.22 1nfq s ALA 55 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1nfq s ALA 55 Cb 0.11 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1nfq s ALA 55 CO 0.17 -0.34 -0.05 1.03 0.00 0.00 0.00 175.76 176.57 1nfq s ARG 56 N -2.90 0.73 -0.06 0.00 1.81 -0.15 -4.47 118.95 113.90 1nfq s ARG 56 Ca -0.02 -0.14 -0.04 0.00 -1.72 0.00 0.00 55.73 53.80 1nfq s ARG 56 Cb 0.01 -0.73 -0.04 0.00 -0.45 0.00 0.00 34.95 33.74 1nfq s ARG 56 CO -0.06 -0.01 0.14 -0.47 -0.68 0.00 0.00 175.30 174.23 1nfq s TYR 57 N 0.57 3.53 0.01 -0.53 5.04 -1.26 -1.20 117.35 123.51 1nfq s TYR 57 Ca -0.07 0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 54.94 1nfq s TYR 57 Cb -0.11 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 1nfq s TYR 57 CO 0.00 0.67 0.03 0.14 -1.34 0.00 0.00 175.55 175.05 1nfq s VAL 58 N -1.15 0.09 -0.01 3.14 -7.23 -0.78 -4.96 120.40 109.50 1nfq s VAL 58 Ca 0.20 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 1nfq s VAL 58 Cb -0.12 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 1nfq s VAL 58 CO 0.11 -0.41 1.11 -2.28 -0.31 0.00 0.00 175.10 173.32 1nfq s HIS 59 N -1.27 3.45 -0.20 2.82 2.46 -1.26 -2.87 115.29 118.41 1nfq s HIS 59 Ca -0.14 1.43 -0.04 0.00 0.47 0.00 0.00 55.06 56.79 1nfq s HIS 59 Cb -0.08 -3.30 0.10 0.00 -0.13 0.00 0.00 32.58 29.16 1nfq s HIS 59 CO -0.00 -0.79 0.27 -1.17 -2.47 0.00 0.00 174.74 170.58 1nfq s LEU 60 N 1.47 -0.28 -0.45 8.88 2.96 0.48 -4.81 118.68 126.92 1nfq s LEU 60 Ca 0.55 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.31 1nfq s LEU 60 Cb -0.24 0.63 0.05 0.00 0.50 0.00 0.00 46.19 47.12 1nfq s LEU 60 CO 0.25 -0.31 0.43 -0.62 -1.32 0.00 0.00 176.35 174.79 1nfq s ASP 61 N 2.40 6.17 0.09 3.68 -1.08 -1.26 -3.82 116.67 122.85 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 0.24 0.00 -1.46 0.00 0.00 42.92 39.34 1nfq s ASP 61 CO -0.13 -0.64 1.00 1.33 0.52 0.00 0.00 175.17 177.26 1nfq n VAL 62 N 5.33 1.21 1.21 1.11 0.24 -1.26 -0.67 118.33 125.50 1nfq n VAL 62 Ca -0.10 0.57 0.13 0.00 -2.04 0.00 0.00 64.34 62.90 1nfq n VAL 62 Cb 0.46 -1.57 0.35 0.00 -1.47 0.00 0.00 33.84 31.61 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 -3.63 3.34 -2.24 -1.26 -4.28 114.28 104.64 1nfq n THR 63 Ca -0.00 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 1nfq n THR 63 Cb 0.18 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.56 2.53 0.47 -0.78 -1.52 0.15 -4.98 119.66 112.97 1nfq s GLN 64 Ca 0.23 -1.51 0.20 0.00 -1.95 0.00 0.00 55.36 52.33 1nfq s GLN 64 Cb 0.19 -3.74 1.21 0.00 -0.22 0.00 0.00 33.01 30.45 1nfq s GLN 64 CO 0.54 -0.97 1.94 -1.00 -0.25 0.00 0.00 175.29 175.56 1nfq h PRO 65 N 8.35 0.23 -0.59 2.91 0.13 -1.85 -1.53 132.00 139.65 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 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1nfq h PRO 65 CO 0.75 0.15 0.09 0.00 -0.23 0.00 0.00 178.00 178.76 1nfq h ALA 66 N 1.67 1.05 -0.12 -0.56 0.00 -1.94 -2.12 119.26 117.24 1nfq h ALA 66 Ca 0.33 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1nfq h ALA 66 Cb 0.97 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nfq h ALA 66 CO -0.07 0.61 -0.46 1.96 0.00 0.00 0.00 179.25 181.30 1nfq h GLN 67 N 0.90 0.30 -0.50 0.00 4.20 -1.61 -2.23 115.11 116.17 1nfq h GLN 67 Ca 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1nfq h GLN 67 Cb 0.40 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1nfq h GLN 67 CO 0.01 0.70 0.18 -1.49 -0.67 0.00 0.00 178.83 177.56 1nfq h TRP 68 N 0.24 0.78 -0.84 2.96 4.06 -1.17 -0.65 115.95 121.33 1nfq h TRP 68 Ca 0.02 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 1nfq h TRP 68 Cb 0.90 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.79 1nfq h TRP 68 CO 0.02 0.66 0.45 -0.22 -3.56 0.00 0.00 178.44 175.80 1nfq h LYS 69 N 0.68 1.18 -0.68 0.49 3.64 -1.18 -0.70 116.57 120.00 1nfq h LYS 69 Ca 0.17 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1nfq h LYS 69 Cb 0.23 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1nfq h LYS 69 CO -0.01 0.88 0.24 0.00 -2.27 0.00 0.00 179.45 178.28 1nfq h ALA 70 N 1.24 0.88 -0.61 5.00 0.00 -1.07 0.12 119.26 124.82 1nfq h ALA 70 Ca 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1nfq h ALA 70 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1nfq h ALA 70 CO -0.05 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.01 1nfq h ALA 71 N 1.10 0.79 -0.40 0.00 0.00 -0.52 -1.35 119.26 118.88 1nfq h ALA 71 Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1nfq h ALA 71 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nfq h ALA 71 CO -0.01 0.39 -0.06 0.28 0.00 0.00 0.00 179.25 179.85 1nfq h VAL 72 N 0.85 1.27 -0.85 0.00 2.07 -0.82 -2.51 116.25 116.26 1nfq h VAL 72 Ca 0.21 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1nfq h VAL 72 Cb 0.17 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1nfq h VAL 72 CO -0.02 0.38 0.54 0.44 0.02 0.00 0.00 177.57 178.92 1nfq h ASP 73 N 0.57 0.99 -0.13 0.57 3.32 -0.76 -1.22 116.42 119.76 1nfq h ASP 73 Ca 0.11 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nfq h ASP 73 Cb 0.56 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1nfq h ASP 73 CO 0.03 0.74 0.09 0.74 -1.72 0.00 0.00 179.24 179.12 1nfq h THR 74 N 1.16 1.04 0.03 0.35 2.02 -1.06 -0.66 112.91 115.79 1nfq h THR 74 Ca 0.31 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1nfq h THR 74 Cb -0.09 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1nfq h THR 74 CO -0.06 0.04 -0.03 0.00 0.37 0.00 0.00 175.52 175.83 1nfq h ALA 75 N 1.04 -0.06 -0.34 6.16 0.00 -0.99 0.55 119.26 125.61 1nfq h ALA 75 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nfq h ALA 75 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1nfq h ALA 75 CO -0.01 -0.54 0.17 0.28 0.00 0.00 0.00 179.25 179.15 1nfq h VAL 76 N -0.08 1.16 0.03 0.00 2.07 -1.13 0.32 116.25 118.63 1nfq h VAL 76 Ca 0.00 -0.44 -0.26 0.00 0.82 0.00 0.00 66.70 66.82 1nfq h VAL 76 Cb 0.08 0.83 0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1nfq h VAL 76 CO -0.01 0.16 -1.06 0.71 0.02 0.00 0.00 177.57 177.39 1nfq h THR 77 N 0.41 1.33 -0.02 2.57 1.35 -1.09 0.86 112.91 118.32 1nfq h THR 77 Ca 0.12 -2.40 -0.22 0.00 -0.55 0.00 0.00 66.41 63.36 1nfq h THR 77 Cb 0.11 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1nfq h THR 77 CO -0.02 0.73 -0.90 0.00 -0.25 0.00 0.00 175.52 175.08 1nfq h ALA 78 N 0.51 0.39 -0.00 6.62 0.00 -0.89 -3.38 119.26 122.51 1nfq h ALA 78 Ca -0.12 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1nfq h ALA 78 Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1nfq h ALA 78 CO 0.20 0.80 -0.00 1.19 0.00 0.00 0.00 179.25 181.43 1nfq n PHE 79 N -3.77 0.00 -0.11 0.00 0.99 0.10 -5.03 117.46 109.64 1nfq n PHE 79 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1nfq n PHE 79 Cb 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.29 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 1.12 0.00 1.37 0.00 0.29 -4.98 105.19 103.12 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 -1.45 3.03 -0.02 0.00 -1.22 -4.93 105.19 98.61 1nfq n GLY 81 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.33 -0.00 0.99 2.96 -1.26 -4.03 118.68 117.01 1nfq s LEU 82 Ca 0.00 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 1nfq s LEU 82 Cb 0.00 0.76 -0.02 0.00 0.50 0.00 0.00 46.19 47.43 1nfq s LEU 82 CO 0.00 -0.24 0.02 1.41 -1.32 0.00 0.00 176.35 176.22 1nfq n HIS 83 N 5.35 0.00 -4.31 5.38 8.25 -0.10 -4.22 115.22 125.57 1nfq n HIS 83 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 1nfq n HIS 83 Cb 0.50 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.07 0.66 -0.09 1.59 1.01 -0.60 -1.01 120.40 119.90 1nfq s VAL 84 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1nfq s VAL 84 Cb 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1nfq s VAL 84 CO 0.04 0.21 -0.13 -0.22 0.00 0.00 0.00 175.10 175.01 1nfq s LEU 85 N 0.13 1.58 -0.38 3.92 2.96 -0.66 -0.45 118.68 125.78 1nfq s LEU 85 Ca -0.02 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1nfq s LEU 85 Cb -0.07 -0.94 0.11 0.00 0.50 0.00 0.00 46.19 45.79 1nfq s LEU 85 CO 0.00 -0.01 0.14 -0.69 -1.32 0.00 0.00 176.35 174.47 1nfq s VAL 86 N 1.02 2.85 -1.17 1.68 1.01 -0.18 -0.12 120.40 125.50 1nfq s VAL 86 Ca -0.07 -2.20 -0.21 0.00 0.00 0.00 0.00 61.98 59.50 1nfq s VAL 86 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1nfq s VAL 86 CO -0.01 -0.65 1.74 0.20 0.00 0.00 0.00 175.10 176.38 1nfq s ASN 87 N 1.41 6.15 -0.16 3.32 0.01 0.20 -2.35 114.94 123.52 1nfq s ASN 87 Ca 0.10 -1.85 0.18 0.00 -0.71 0.00 0.00 52.86 50.57 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 -1.87 0.13 -3.20 -1.51 0.00 0.00 177.10 170.59 1nfq n ASN 88 N 10.53 0.29 -4.66 -1.22 2.85 -1.24 -1.98 115.26 119.82 1nfq n ASN 88 Ca 0.43 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.46 1nfq n ASN 88 Cb 0.47 1.12 -0.02 0.00 1.24 0.00 0.00 39.78 42.60 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 -2.63 0.85 -3.61 5.20 0.00 -1.00 -4.88 120.51 114.44 1nfq n ALA 89 Ca -0.27 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1nfq n ALA 89 Cb 1.03 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.12 -0.33 0.28 0.00 0.00 -1.26 -4.74 107.32 101.15 1nfq s GLY 90 Ca 0.61 1.32 0.04 0.00 0.00 0.00 0.00 44.72 46.70 1nfq s GLY 90 CO 0.57 0.40 0.03 -0.26 0.00 0.00 0.00 173.10 173.83 1nfq s ILE 91 N -2.35 1.11 -0.05 0.90 -4.36 -1.26 -5.04 121.20 110.14 1nfq s ILE 91 Ca 0.11 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1nfq s ILE 91 Cb 0.01 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.17 1nfq s ILE 91 CO -0.04 -0.15 -0.02 -0.22 0.24 0.00 0.00 174.94 174.75 1nfq s LEU 92 N -3.40 0.98 0.05 0.37 2.96 -1.26 -4.95 118.68 113.43 1nfq s LEU 92 Ca 0.33 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1nfq s LEU 92 Cb 0.07 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.32 1nfq s LEU 92 CO 0.12 -0.12 -0.06 0.54 -1.32 0.00 0.00 176.35 175.51 1nfq s ASN 93 N 1.40 0.73 0.34 3.68 2.20 -1.26 -5.15 114.94 116.89 1nfq s ASN 93 Ca -0.04 -0.72 0.03 0.00 -0.94 0.00 0.00 52.86 51.20 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 -0.03 -0.35 0.09 0.27 -2.94 0.00 0.00 177.10 174.14 1nfq s ILE 94 N -2.32 0.89 0.00 0.54 -4.36 -1.26 -4.60 121.20 110.09 1nfq s ILE 94 Ca -0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1nfq s ILE 94 Cb -0.04 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 41.06 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 -0.73 4.11 3.73 6.27 0.00 -0.29 -4.95 105.19 113.32 1nfq n GLY 95 Ca -0.03 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.51 2.25 0.27 2.61 -4.23 -1.26 -4.17 115.64 109.59 1nfq s THR 96 Ca 0.00 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1nfq s THR 96 Cb 0.00 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.42 1nfq s THR 96 CO 0.00 -0.11 1.85 0.40 -0.54 0.00 0.00 174.62 176.23 1nfq h ILE 97 N -1.63 1.00 0.21 2.99 2.04 -1.96 -2.74 117.51 117.43 1nfq h ILE 97 Ca -0.52 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1nfq h ILE 97 Cb 1.32 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1nfq h ILE 97 CO 0.59 0.19 -0.10 -0.33 0.00 0.00 0.00 178.15 178.49 1nfq h GLU 98 N 1.04 -0.28 -1.03 2.37 3.07 -2.06 -3.35 114.58 114.35 1nfq h GLU 98 Ca 0.45 0.02 -0.58 0.00 -0.50 0.00 0.00 59.36 58.75 1nfq h GLU 98 Cb 0.31 0.06 -0.29 0.00 -0.84 0.00 0.00 28.75 28.00 1nfq h GLU 98 CO -0.22 0.10 0.74 -0.40 -1.40 0.00 0.00 179.01 177.84 1nfq n ASP 99 N -5.01 5.83 -4.43 1.42 3.85 -1.21 -4.87 116.55 112.12 1nfq n ASP 99 Ca -0.09 -3.64 -0.39 0.00 -0.71 0.00 0.00 54.79 49.97 1nfq n ASP 99 Cb 0.26 -0.91 -0.11 0.00 -1.35 0.00 0.00 41.12 39.00 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 -3.42 3.19 0.30 2.11 5.04 -1.04 -4.69 117.35 118.84 1nfq s TYR 100 Ca 0.58 -0.63 -0.30 0.00 -2.44 0.00 0.00 57.07 54.29 1nfq s TYR 100 Cb 0.47 -2.38 -0.11 0.00 0.35 0.00 0.00 41.96 40.30 1nfq s TYR 100 CO 0.04 -0.49 1.51 0.00 -1.34 0.00 0.00 175.55 175.27 1nfq s ALA 101 N 1.61 3.66 0.52 3.97 0.00 -1.26 -4.89 121.76 125.37 1nfq s ALA 101 Ca 0.04 1.49 0.28 0.00 0.00 0.00 0.00 51.96 53.77 1nfq s ALA 101 Cb -0.17 -3.60 1.65 0.00 0.00 0.00 0.00 23.12 20.99 1nfq s ALA 101 CO 0.07 -0.91 2.18 -0.07 0.00 0.00 0.00 175.76 177.03 1nfq h LEU 102 N 4.44 0.00 -0.43 0.00 3.38 -1.99 -1.44 115.31 119.27 1nfq h LEU 102 Ca -0.48 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.32 1nfq h LEU 102 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1nfq h LEU 102 CO 0.75 0.05 -0.68 0.71 0.09 0.00 0.00 178.44 179.36 1nfq h THR 103 N 0.00 1.36 -0.36 0.22 1.35 -1.99 -1.51 112.91 111.99 1nfq h THR 103 Ca -0.00 -2.04 -0.13 0.00 -0.55 0.00 0.00 66.41 63.68 1nfq h THR 103 Cb 0.13 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1nfq h THR 103 CO 0.01 0.62 -0.32 -0.33 -0.25 0.00 0.00 175.52 175.25 1nfq h GLU 104 N 0.31 0.78 -0.18 4.72 5.08 -1.66 -0.48 114.58 123.15 1nfq h GLU 104 Ca -0.02 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1nfq h GLU 104 Cb 1.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 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 0.66 0.24 -0.66 4.33 2.91 -1.25 -1.46 115.95 120.72 1nfq h TRP 105 Ca 0.07 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.01 1nfq h TRP 105 Cb 0.85 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.40 1nfq h TRP 105 CO 0.05 0.21 0.10 1.96 -1.03 0.00 0.00 178.44 179.72 1nfq h GLN 106 N 0.21 1.11 -0.22 2.65 1.08 -1.14 -2.44 115.11 116.36 1nfq h GLN 106 Ca 0.07 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1nfq h GLN 106 Cb 0.04 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1nfq h GLN 106 CO -0.01 1.02 0.13 -0.09 -0.95 0.00 0.00 178.83 178.93 1nfq h ARG 107 N 1.03 0.29 -0.02 1.46 9.65 -0.84 -1.21 114.38 124.75 1nfq h ARG 107 Ca 0.20 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1nfq h ARG 107 Cb 0.45 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1nfq h ARG 107 CO 0.01 0.23 -0.41 0.97 2.80 0.00 0.00 179.97 183.58 1nfq h ILE 108 N 0.27 1.30 -0.45 1.20 2.10 -1.20 -2.13 117.51 118.59 1nfq h ILE 108 Ca 0.08 -1.41 -0.11 0.00 1.08 0.00 0.00 64.86 64.49 1nfq h ILE 108 Cb 0.01 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1nfq h ILE 108 CO -0.02 0.41 -0.15 -0.07 -1.08 0.00 0.00 178.15 177.24 1nfq h LEU 109 N 0.03 0.91 -0.04 2.19 4.07 -1.09 -0.87 115.31 120.51 1nfq h LEU 109 Ca -0.00 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.58 1nfq h LEU 109 Cb 0.73 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1nfq h LEU 109 CO 0.05 1.08 0.02 0.44 -1.08 0.00 0.00 178.44 178.95 1nfq h ASP 110 N 0.73 0.05 0.24 -0.43 3.32 -0.84 -0.72 116.42 118.76 1nfq h ASP 110 Ca 0.11 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1nfq h ASP 110 Cb 0.71 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1nfq h ASP 110 CO 0.05 0.18 -0.11 0.58 -1.72 0.00 0.00 179.24 178.22 1nfq h VAL 111 N -0.08 0.10 0.00 -1.35 2.07 -1.42 0.17 116.25 115.74 1nfq h VAL 111 Ca 0.01 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1nfq h VAL 111 Cb 0.15 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1nfq h VAL 111 CO -0.00 0.03 -0.34 0.78 0.02 0.00 0.00 177.57 178.06 1nfq h ASN 112 N -1.07 0.00 0.00 0.57 4.21 -1.29 -3.10 115.58 114.90 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 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1nfq h ASN 112 CO 0.05 0.34 -0.40 -0.11 -1.29 0.00 0.00 177.43 176.02 1nfq n LEU 113 N -3.86 1.42 -0.12 1.61 7.94 -0.80 -4.44 117.00 118.74 1nfq n LEU 113 Ca -0.01 0.21 -0.01 0.00 -1.11 0.00 0.00 56.01 55.09 1nfq n LEU 113 Cb 0.41 -0.50 0.24 0.00 0.53 0.00 0.00 43.42 44.10 1nfq n LEU 113 CO 0.37 -0.56 1.05 0.74 -1.11 0.00 0.00 177.39 177.88 1nfq h THR 114 N -0.40 1.20 -0.87 1.96 2.02 -1.10 -2.04 112.91 113.69 1nfq h THR 114 Ca 0.00 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.56 1nfq h THR 114 Cb 0.40 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1nfq h THR 114 CO 0.00 0.25 0.56 1.23 0.37 0.00 0.00 175.52 177.93 1nfq h GLY 115 N 0.93 1.26 1.05 2.16 0.00 -0.58 0.61 103.07 108.49 1nfq h GLY 115 Ca 0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1nfq h GLY 115 CO -0.02 0.37 -0.03 -2.08 0.00 0.00 0.00 176.54 174.79 1nfq h VAL 116 N 1.09 1.27 -0.46 4.60 2.07 -1.54 -2.09 116.25 121.18 1nfq h VAL 116 Ca 0.34 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1nfq h VAL 116 Cb -0.01 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1nfq h VAL 116 CO -0.11 0.41 0.14 0.15 0.02 0.00 0.00 177.57 178.17 1nfq h PHE 117 N 0.84 0.75 -0.80 1.57 3.57 -0.73 -2.49 116.94 119.65 1nfq h PHE 117 Ca 0.15 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1nfq h PHE 117 Cb 0.57 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1nfq h PHE 117 CO 0.04 0.67 0.42 -0.07 -2.23 0.00 0.00 178.31 177.15 1nfq h LEU 118 N 0.61 1.01 -0.78 0.59 3.38 -0.76 -1.70 115.31 117.67 1nfq h LEU 118 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1nfq h LEU 118 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1nfq h LEU 118 CO -0.00 0.82 0.31 1.23 0.09 0.00 0.00 178.44 180.88 1nfq h GLY 119 N 1.15 1.25 0.96 0.83 0.00 -1.17 -1.43 103.07 104.66 1nfq h GLY 119 Ca 0.28 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1nfq h GLY 119 CO -0.04 0.64 -0.02 -2.22 0.00 0.00 0.00 176.54 174.90 1nfq h ILE 120 N 1.13 1.26 -0.69 2.60 2.04 -1.01 -2.50 117.51 120.35 1nfq h ILE 120 Ca 0.26 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1nfq h ILE 120 Cb 0.22 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1nfq h ILE 120 CO -0.02 0.36 0.37 0.03 0.00 0.00 0.00 178.15 178.89 1nfq h ARG 121 N 0.56 0.95 0.00 2.37 3.08 -1.10 -2.71 114.38 117.53 1nfq h ARG 121 Ca 0.11 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1nfq h ARG 121 Cb 0.52 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1nfq h ARG 121 CO 0.03 0.71 -0.50 0.00 -1.07 0.00 0.00 179.97 179.14 1nfq h ALA 122 N 1.44 1.14 0.00 0.04 0.00 -1.04 -3.31 119.26 117.54 1nfq h ALA 122 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nfq h ALA 122 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nfq h ALA 122 CO -0.04 0.62 -0.95 1.33 0.00 0.00 0.00 179.25 180.21 1nfq n VAL 123 N -3.89 0.00 -0.33 0.00 0.24 -0.96 -4.49 118.33 108.90 1nfq n VAL 123 Ca -0.01 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.24 1nfq n VAL 123 Cb 0.52 0.84 0.12 0.00 -1.47 0.00 0.00 33.84 33.85 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 1.25 0.69 3.34 -1.51 -1.57 -2.62 116.25 115.82 1nfq h VAL 124 Ca 0.00 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1nfq h VAL 124 Cb 0.52 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 1nfq h VAL 124 CO 0.00 0.27 -0.50 0.50 -1.23 0.00 0.00 177.57 176.60 1nfq h LYS 125 N 1.26 -1.10 -0.54 5.19 3.64 -1.80 0.21 116.57 123.43 1nfq h LYS 125 Ca 0.33 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1nfq h LYS 125 Cb -0.05 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1nfq h LYS 125 CO -0.06 -0.73 0.25 -1.00 -2.27 0.00 0.00 179.45 175.64 1nfq h PRO 126 N -1.14 0.75 -0.49 1.90 0.13 -1.85 -2.20 132.00 129.10 1nfq h PRO 126 Ca -0.09 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1nfq h PRO 126 Cb 0.94 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1nfq h PRO 126 CO 0.04 0.59 -0.10 0.52 -0.23 0.00 0.00 178.00 178.82 1nfq h MET 127 N 0.76 0.93 -0.14 0.86 2.86 -1.27 -1.49 114.93 117.44 1nfq h MET 127 Ca 0.19 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1nfq h MET 127 Cb 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1nfq h MET 127 CO -0.02 1.01 -0.18 0.87 1.06 0.00 0.00 176.91 179.65 1nfq h LYS 128 N 0.79 0.24 -0.13 1.72 1.57 -0.26 -0.92 116.57 119.57 1nfq h LYS 128 Ca 0.13 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1nfq h LYS 128 Cb 0.65 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1nfq h LYS 128 CO 0.05 0.42 -0.64 0.93 -0.57 0.00 0.00 179.45 179.63 1nfq h GLU 129 N 0.22 0.67 0.00 3.15 5.08 -1.21 -3.03 114.58 119.46 1nfq h GLU 129 Ca 0.04 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1nfq h GLU 129 Cb 0.45 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nfq h GLU 129 CO 0.03 1.16 0.00 0.00 -1.00 0.00 0.00 179.01 179.19 1nfq h ALA 130 N 0.52 1.00 0.00 3.43 0.00 -0.96 -3.47 119.26 119.78 1nfq h ALA 130 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nfq h ALA 130 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nfq h ALA 130 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1nfq n GLY 131 N 0.04 1.05 3.19 0.00 0.00 -0.38 -4.97 105.19 104.12 1nfq n GLY 131 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1nfq n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nfq s ARG 132 N -0.22 0.44 -0.05 1.61 3.52 -1.21 -4.45 118.95 118.60 1nfq s ARG 132 Ca 0.00 0.17 -0.31 0.00 -0.13 0.00 0.00 55.73 55.46 1nfq s ARG 132 Cb 0.00 0.20 0.11 0.00 -1.56 0.00 0.00 34.95 33.70 1nfq s ARG 132 CO 0.00 -0.08 1.03 0.20 -0.81 0.00 0.00 175.30 175.64 1nfq s GLY 133 N -0.38 -0.38 -0.08 8.12 0.00 -1.08 -4.80 107.32 108.71 1nfq s GLY 133 Ca -0.05 1.09 -0.03 0.00 0.00 0.00 0.00 44.72 45.73 1nfq s GLY 133 CO 0.02 0.35 0.14 -0.45 0.00 0.00 0.00 173.10 173.16 1nfq s SER 134 N -2.47 0.91 -0.18 1.64 0.15 -0.18 -1.28 113.70 112.30 1nfq s SER 134 Ca 0.08 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1nfq s SER 134 Cb -0.01 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1nfq s SER 134 CO -0.06 -0.25 -0.03 -0.63 1.20 0.00 0.00 173.24 173.47 1nfq s ILE 135 N 2.27 3.79 -0.28 6.45 1.01 0.89 -1.66 121.20 133.67 1nfq s ILE 135 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1nfq s ILE 135 Cb -0.12 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.71 1nfq s ILE 135 CO -0.06 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.66 1nfq s ILE 136 N 0.79 2.64 -0.21 2.92 1.01 0.83 -1.62 121.20 127.57 1nfq s ILE 136 Ca -0.01 -1.44 -0.14 0.00 0.00 0.00 0.00 60.65 59.06 1nfq s ILE 136 Cb -0.14 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1nfq s ILE 136 CO 0.02 -0.04 0.30 0.20 0.00 0.00 0.00 174.94 175.42 1nfq s ASN 137 N 1.20 6.32 -0.53 3.58 0.01 -0.13 -0.63 114.94 124.77 1nfq s ASN 137 Ca -0.06 0.37 -0.22 0.00 -0.71 0.00 0.00 52.86 52.24 1nfq s ASN 137 Cb -0.19 -2.18 0.05 0.00 0.41 0.00 0.00 41.25 39.33 1nfq s ASN 137 CO -0.03 -0.01 0.80 -0.63 -1.51 0.00 0.00 177.10 175.73 1nfq s ILE 138 N 1.12 4.60 0.00 0.60 -1.09 -0.84 -0.81 121.20 124.79 1nfq s ILE 138 Ca 0.15 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1nfq s ILE 138 Cb -0.14 -4.43 0.00 0.00 -1.58 0.00 0.00 42.46 36.31 1nfq s ILE 138 CO 0.06 -0.97 0.00 -0.24 -1.23 0.00 0.00 174.94 172.56 1nfq n SER 139 N 6.90 0.00 -3.73 3.58 2.88 0.45 -4.92 113.62 118.78 1nfq n SER 139 Ca -0.02 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 -0.97 -0.01 0.14 -3.46 1.04 -1.24 -4.48 113.70 104.72 1nfq s SER 140 Ca 0.00 -0.08 0.20 0.00 0.48 0.00 0.00 55.95 56.55 1nfq s SER 140 Cb 0.00 0.07 0.82 0.00 0.10 0.00 0.00 66.02 67.01 1nfq s SER 140 CO 0.00 -0.14 1.61 2.30 0.98 0.00 0.00 173.24 177.99 1nfq n ILE 141 N -0.69 0.89 1.30 -1.02 -5.35 -1.08 -0.79 119.36 112.62 1nfq n ILE 141 Ca -0.03 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.79 1nfq n ILE 141 Cb 0.61 -1.07 0.66 0.00 -1.74 0.00 0.00 39.64 38.10 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 -1.90 0.52 -0.27 6.28 4.71 -1.26 -1.24 120.64 127.47 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 0.21 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.40 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 0.66 2.12 0.00 0.62 0.00 0.03 -4.28 105.19 104.34 1nfq n GLY 143 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.52 0.33 -4.03 0.99 4.77 -0.37 -4.45 117.00 115.76 1nfq n LEU 144 Ca 0.21 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 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 0.00 0.00 -1.33 0.00 0.00 177.39 176.28 1nfq s ALA 145 N -1.99 0.16 0.56 -1.18 0.00 -0.90 -5.14 121.76 113.26 1nfq s ALA 145 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 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 -0.71 0.80 0.20 0.00 0.00 0.00 175.76 176.05 1nfq s GLY 146 N -3.03 1.74 -0.07 0.00 0.00 -1.26 -4.41 107.32 100.30 1nfq s GLY 146 Ca 0.24 -1.17 -0.09 0.00 0.00 0.00 0.00 44.72 43.69 1nfq s GLY 146 CO 0.06 -0.89 0.23 -1.59 0.00 0.00 0.00 173.10 170.91 1nfq s THR 147 N -2.81 0.02 0.45 0.90 2.01 -1.26 -5.06 115.64 109.89 1nfq s THR 147 Ca 0.56 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 1nfq s THR 147 Cb -0.10 -0.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.95 1nfq s THR 147 CO 0.40 -0.08 1.31 -0.69 -0.69 0.00 0.00 174.62 174.86 1nfq s VAL 148 N -0.25 2.49 -1.32 3.82 1.01 -1.26 -3.12 120.40 121.77 1nfq s VAL 148 Ca -0.04 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 1nfq s VAL 148 Cb -0.03 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1nfq s VAL 148 CO 0.01 0.04 0.16 0.00 0.00 0.00 0.00 175.10 175.31 1nfq n ALA 149 N -0.27 -0.82 -2.63 5.51 0.00 -1.26 -4.86 120.51 116.19 1nfq n ALA 149 Ca 0.06 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1nfq n ALA 149 Cb 0.44 -2.19 0.04 0.00 0.00 0.00 0.00 19.45 17.74 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 2.59 0.67 -0.17 0.00 -0.00 -1.81 -0.68 115.15 115.76 1nfq h HIS 151 Ca -0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.24 1nfq h HIS 151 Cb 1.29 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1nfq h HIS 151 CO 0.59 0.65 -0.06 0.78 -0.00 0.00 0.00 177.93 179.88 1nfq h GLY 152 N 0.50 0.37 0.92 2.45 0.00 -1.92 -1.63 103.07 103.77 1nfq h GLY 152 Ca 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1nfq h GLY 152 CO 0.00 0.29 0.10 -1.82 0.00 0.00 0.00 176.54 175.11 1nfq h TYR 153 N 0.04 0.28 -0.36 5.60 3.20 -1.81 -1.78 116.97 122.13 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 0.52 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1nfq h TYR 153 CO 0.06 0.28 0.21 1.15 -1.64 0.00 0.00 178.16 178.22 1nfq h THR 154 N 0.19 1.13 -0.37 1.81 2.02 -1.15 -0.93 112.91 115.61 1nfq h THR 154 Ca 0.07 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1nfq h THR 154 Cb 0.11 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1nfq h THR 154 CO -0.01 0.14 0.23 0.00 0.37 0.00 0.00 175.52 176.25 1nfq h ALA 155 N 1.07 0.47 -0.22 6.16 0.00 -1.19 -1.48 119.26 124.07 1nfq h ALA 155 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1nfq h ALA 155 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nfq h ALA 155 CO -0.02 -0.10 -0.48 1.79 0.00 0.00 0.00 179.25 180.43 1nfq h THR 156 N 0.47 1.31 -0.01 0.00 1.35 -1.20 -1.52 112.91 113.31 1nfq h THR 156 Ca 0.14 -1.70 -0.10 0.00 -0.55 0.00 0.00 66.41 64.20 1nfq h THR 156 Cb -0.02 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1nfq h THR 156 CO -0.05 0.53 -0.48 0.11 -0.25 0.00 0.00 175.52 175.38 1nfq h LYS 157 N 0.46 0.02 -0.16 4.72 1.79 -1.00 -0.13 116.57 122.27 1nfq h LYS 157 Ca 0.02 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.26 1nfq h LYS 157 Cb 1.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1nfq h LYS 157 CO 0.09 0.50 -0.75 0.74 -1.08 0.00 0.00 179.45 178.95 1nfq h PHE 158 N 0.02 1.05 -0.61 -1.35 -1.00 -1.16 -2.83 116.94 111.06 1nfq h PHE 158 Ca -0.00 -0.45 -0.05 0.00 2.81 0.00 0.00 57.97 60.28 1nfq h PHE 158 Cb 0.86 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 40.22 1nfq h PHE 158 CO 0.00 1.28 0.21 0.00 -1.61 0.00 0.00 178.31 178.19 1nfq h ALA 159 N 0.59 0.80 -0.52 2.45 0.00 -0.89 -1.82 119.26 119.88 1nfq h ALA 159 Ca -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1nfq h ALA 159 Cb 1.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1nfq h ALA 159 CO 0.16 0.46 0.20 0.28 0.00 0.00 0.00 179.25 180.35 1nfq h VAL 160 N 0.87 1.19 -0.60 0.00 2.07 -1.04 0.24 116.25 118.98 1nfq h VAL 160 Ca 0.20 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1nfq h VAL 160 Cb 0.27 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1nfq h VAL 160 CO -0.01 0.24 0.22 -0.09 0.02 0.00 0.00 177.57 177.94 1nfq h ARG 161 N 0.74 0.91 -0.17 1.57 2.43 -1.18 -1.64 114.38 117.03 1nfq h ARG 161 Ca 0.18 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1nfq h ARG 161 Cb 0.15 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1nfq h ARG 161 CO -0.02 0.79 -0.56 0.78 -1.51 0.00 0.00 179.97 179.46 1nfq h GLY 162 N 0.84 0.75 1.70 2.80 0.00 -0.50 -3.09 103.07 105.57 1nfq h GLY 162 Ca 0.20 -0.98 0.01 0.00 0.00 0.00 0.00 47.33 46.55 1nfq h GLY 162 CO -0.01 0.88 0.19 -2.00 0.00 0.00 0.00 176.54 175.60 1nfq h LEU 163 N 0.38 0.31 -0.90 3.11 5.85 -0.45 -1.52 115.31 122.08 1nfq h LEU 163 Ca -0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1nfq h LEU 163 Cb 1.18 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1nfq h LEU 163 CO 0.12 0.22 0.53 0.74 -0.34 0.00 0.00 178.44 179.71 1nfq h THR 164 N 0.36 1.25 -0.09 1.05 2.02 -1.22 -2.19 112.91 114.10 1nfq h THR 164 Ca 0.11 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 1nfq h THR 164 Cb -0.01 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1nfq h THR 164 CO -0.02 0.27 -0.20 0.11 0.37 0.00 0.00 175.52 176.05 1nfq h LYS 165 N 1.25 0.29 -0.64 6.66 1.57 -1.29 -2.05 116.57 122.35 1nfq h LYS 165 Ca 0.32 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1nfq h LYS 165 Cb -0.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1nfq h LYS 165 CO -0.06 0.79 0.15 0.66 -0.57 0.00 0.00 179.45 180.43 1nfq h SER 166 N -0.18 0.98 0.51 0.86 4.64 -1.46 -2.28 113.55 116.62 1nfq h SER 166 Ca 0.00 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 1nfq h SER 166 Cb 0.79 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1nfq h SER 166 CO 0.04 0.96 -0.61 0.71 -0.87 0.00 0.00 176.83 177.06 1nfq h THR 167 N 0.95 1.42 -0.65 2.95 1.35 -1.47 -2.62 112.91 114.84 1nfq h THR 167 Ca 0.20 -2.05 -0.08 0.00 -0.55 0.00 0.00 66.41 63.93 1nfq h THR 167 Cb 0.37 2.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 1nfq h THR 167 CO 0.00 0.59 0.11 0.00 -0.25 0.00 0.00 175.52 175.98 1nfq h ALA 168 N 1.30 0.86 -0.58 6.62 0.00 -1.11 -0.01 119.26 126.34 1nfq h ALA 168 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1nfq h ALA 168 Cb 1.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1nfq h ALA 168 CO 0.09 0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 179.86 1nfq h LEU 169 N 0.99 1.03 -0.22 0.00 3.38 -1.31 -0.57 115.31 118.62 1nfq h LEU 169 Ca 0.20 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1nfq h LEU 169 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1nfq h LEU 169 CO 0.01 1.10 -0.48 -0.08 0.09 0.00 0.00 178.44 179.08 1nfq h GLU 170 N 0.94 0.71 0.00 1.13 4.81 -1.28 -3.30 114.58 117.58 1nfq h GLU 170 Ca 0.16 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1nfq h GLU 170 Cb 0.58 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1nfq h GLU 170 CO 0.03 1.09 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.91 1nfq h LEU 171 N 0.42 0.00 -0.55 1.64 3.38 -0.99 -3.38 115.31 115.83 1nfq h LEU 171 Ca 0.00 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1nfq h LEU 171 Cb 1.09 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1nfq h LEU 171 CO 0.11 0.06 -0.23 1.23 0.09 0.00 0.00 178.44 179.70 1nfq h GLY 172 N 4.44 0.17 1.60 0.83 0.00 -1.15 0.34 103.07 109.29 1nfq h GLY 172 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.63 1nfq h GLY 172 CO 0.00 -0.22 0.19 -2.55 0.00 0.00 0.00 176.54 173.96 1nfq h PRO 173 N -0.09 0.00 -0.23 4.80 0.11 -1.79 0.40 132.00 135.19 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 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1nfq h PRO 173 CO -0.61 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.61 1nfq n SER 174 N -3.08 2.32 0.00 -2.05 7.64 0.09 -4.92 113.62 113.62 1nfq n SER 174 Ca -0.02 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1nfq n SER 174 Cb 0.26 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 1.26 0.50 3.60 0.23 0.00 0.13 -4.40 105.19 106.51 1nfq n GLY 175 Ca 0.17 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 4.60 -0.06 -0.61 1.01 -1.12 -2.65 121.20 120.38 1nfq s ILE 176 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1nfq s ILE 176 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1nfq s ILE 176 CO 0.00 0.45 0.09 -0.13 0.00 0.00 0.00 174.94 175.36 1nfq s ARG 177 N 0.48 3.20 -0.09 2.79 0.52 -0.40 -3.58 118.95 121.86 1nfq s ARG 177 Ca 0.02 -0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1nfq s ARG 177 Cb -0.13 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.40 1nfq s ARG 177 CO 0.01 0.70 -0.06 0.08 0.02 0.00 0.00 175.30 176.05 1nfq s VAL 178 N -1.10 0.82 0.08 3.52 1.01 -1.26 -0.08 120.40 123.39 1nfq s VAL 178 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1nfq s VAL 178 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1nfq s VAL 178 CO 0.09 0.32 -0.06 0.20 0.00 0.00 0.00 175.10 175.65 1nfq s ASN 179 N 1.58 0.95 0.02 3.32 0.01 -0.64 0.17 114.94 120.36 1nfq s ASN 179 Ca 0.01 -0.88 0.07 0.00 -0.71 0.00 0.00 52.86 51.35 1nfq s ASN 179 Cb -0.13 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 1nfq s ASN 179 CO -0.05 -0.42 -0.18 -0.94 -1.51 0.00 0.00 177.10 174.00 1nfq s SER 180 N -2.62 3.76 -0.12 -1.22 1.04 -0.60 -0.95 113.70 112.99 1nfq s SER 180 Ca 0.05 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1nfq s SER 180 Cb 0.01 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 1nfq s SER 180 CO -0.04 0.28 -0.05 -0.63 0.98 0.00 0.00 173.24 173.77 1nfq s ILE 181 N -0.86 3.82 -0.51 -1.02 1.01 0.01 -0.52 121.20 123.13 1nfq s ILE 181 Ca 0.14 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1nfq s ILE 181 Cb -0.10 -2.62 0.13 0.00 0.01 0.00 0.00 42.46 39.88 1nfq s ILE 181 CO 0.04 0.54 0.26 -1.00 0.00 0.00 0.00 174.94 174.78 1nfq s HIS 182 N -0.19 2.90 0.48 3.97 3.76 0.19 -0.41 115.29 125.99 1nfq s HIS 182 Ca 0.03 -3.00 -0.05 0.00 -0.15 0.00 0.00 55.06 51.89 1nfq s HIS 182 Cb -0.13 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1nfq s HIS 182 CO 0.03 -0.75 0.78 -1.25 -0.85 0.00 0.00 174.74 172.69 1nfq s PRO 183 N -0.17 3.44 0.00 8.40 0.04 -1.26 -1.96 135.00 143.49 1nfq s PRO 183 Ca 0.17 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1nfq s PRO 183 Cb -0.25 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1nfq s PRO 183 CO -0.00 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1nfq n GLY 184 N -2.25 1.50 3.68 0.56 0.00 -0.91 -2.64 105.19 105.12 1nfq n GLY 184 Ca 0.01 -1.62 -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 1.89 0.08 0.00 -0.22 0.00 0.00 54.13 55.88 1nfq s LEU 185 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1nfq s LEU 185 CO 0.00 -0.66 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.44 1nfq s VAL 186 N 2.51 1.91 -0.77 1.68 1.01 -1.26 -1.25 120.40 124.23 1nfq s VAL 186 Ca 0.58 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1nfq s VAL 186 Cb -0.26 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1nfq s VAL 186 CO 0.22 0.50 1.70 -0.54 0.00 0.00 0.00 175.10 176.99 1nfq s LYS 187 N -0.66 2.86 0.21 2.72 1.02 -0.77 -4.73 119.74 120.40 1nfq s LYS 187 Ca 0.09 -0.05 -0.05 0.00 0.02 0.00 0.00 55.97 55.98 1nfq s LYS 187 Cb -0.09 -4.66 -0.03 0.00 -0.52 0.00 0.00 37.83 32.53 1nfq s LYS 187 CO -0.01 -2.70 0.24 0.95 -0.92 0.00 0.00 175.35 172.92 1nfq s THR 188 N 8.04 0.01 0.60 2.17 -4.23 -1.26 -4.61 115.64 116.36 1nfq s THR 188 Ca 0.58 -1.78 0.40 0.00 -1.18 0.00 0.00 61.69 59.71 1nfq s THR 188 Cb -0.08 -2.35 0.42 0.00 1.34 0.00 0.00 72.50 71.82 1nfq s THR 188 CO 0.10 -0.04 2.31 1.55 -0.54 0.00 0.00 174.62 178.00 1nfq h PRO 189 N 2.51 0.00 0.00 3.99 0.13 -1.98 -1.42 132.00 135.23 1nfq h PRO 189 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1nfq h PRO 189 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nfq h PRO 189 CO 0.48 0.01 -0.13 1.98 -0.23 0.00 0.00 178.00 180.10 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 0.05 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.75 1nfq h MET 190 CO 0.00 0.13 -0.55 0.25 0.23 0.00 0.00 176.91 176.98 1nfq n THR 191 N -3.31 0.55 0.50 -0.77 -2.24 -0.62 -4.82 114.28 103.56 1nfq n THR 191 Ca 0.00 -0.96 0.09 0.00 -2.27 0.00 0.00 64.05 60.91 1nfq n THR 191 Cb 0.36 0.42 0.38 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.24 0.19 -0.47 3.42 5.68 -0.71 -1.94 116.55 122.48 1nfq n ASP 192 Ca 0.06 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 55.02 1nfq n ASP 192 Cb 0.80 -0.59 0.29 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 -1.71 0.00 -3.76 2.11 4.27 -1.26 -4.88 117.44 112.21 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 -2.28 5.42 0.20 -1.67 1.01 -0.82 -5.05 120.40 117.21 1nfq s VAL 194 Ca 0.27 0.25 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1nfq s VAL 194 Cb 0.20 -3.47 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 1nfq s VAL 194 CO 0.45 0.50 1.72 -2.16 0.00 0.00 0.00 175.10 175.60 1nfq s PRO 195 N -0.15 4.13 0.19 2.72 0.04 -1.26 -4.84 135.00 135.82 1nfq s PRO 195 Ca 0.12 2.59 0.09 0.00 0.04 0.00 0.00 61.00 63.83 1nfq s PRO 195 Cb -0.12 -3.11 0.47 0.00 0.04 0.00 0.00 34.50 31.78 1nfq s PRO 195 CO 0.01 -0.75 1.15 0.39 0.04 0.00 0.00 177.00 177.85 1nfq n GLU 196 N 4.10 0.06 -0.78 4.56 1.02 -1.26 -1.61 120.64 126.73 1nfq n GLU 196 Ca 0.16 0.48 0.01 0.00 -0.02 0.00 0.00 57.16 57.79 1nfq n GLU 196 Cb 0.36 -1.90 0.19 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.78 2.18 0.07 1.62 5.75 -1.26 -3.96 116.55 119.17 1nfq n ASP 197 Ca -0.01 -3.88 0.02 0.00 -0.01 0.00 0.00 54.79 50.92 1nfq n ASP 197 Cb 0.22 -0.53 0.37 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 1.11 1.17 -2.87 2.12 6.09 -1.68 -3.42 117.51 120.03 1nfq h ILE 198 Ca 0.08 -0.72 -0.63 0.00 -1.37 0.00 0.00 64.86 62.22 1nfq h ILE 198 Cb 1.16 1.07 -0.05 0.00 0.47 0.00 0.00 36.82 39.47 1nfq h ILE 198 CO 0.15 0.24 -0.43 -0.36 -3.07 0.00 0.00 178.15 174.67 1nfq s PHE 199 N -4.87 3.56 -0.27 2.19 2.99 -1.26 -5.05 117.98 115.26 1nfq s PHE 199 Ca -0.06 0.47 -0.28 0.00 0.00 0.00 0.00 56.93 57.05 1nfq s PHE 199 Cb 0.16 -1.91 0.01 0.00 0.00 0.00 0.00 43.02 41.28 1nfq s PHE 199 CO 0.74 0.62 1.03 -0.65 -0.00 0.00 0.00 175.22 176.96 1nfq s GLN 200 N -1.91 4.15 0.26 0.44 -0.21 -1.26 -4.98 119.66 116.16 1nfq s GLN 200 Ca 0.28 1.17 0.10 0.00 0.02 0.00 0.00 55.36 56.93 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 0.18 -0.74 -0.16 0.95 -2.12 0.00 0.00 175.29 173.39 1nfq s THR 201 N 3.36 2.17 0.03 -0.19 -4.23 -1.26 -4.04 115.64 111.48 1nfq s THR 201 Ca 0.43 -2.31 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1nfq s THR 201 Cb -0.14 -2.26 -0.20 0.00 1.34 0.00 0.00 72.50 71.25 1nfq s THR 201 CO 0.10 -0.44 1.04 0.00 -0.54 0.00 0.00 174.62 174.78 1nfq h ALA 202 N 2.34 0.54 0.00 3.99 0.00 -1.00 -3.30 119.26 121.84 1nfq h ALA 202 Ca -0.40 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1nfq h ALA 202 Cb 1.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nfq h ALA 202 CO 0.62 1.32 -0.19 1.28 0.00 0.00 0.00 179.25 182.29 1nfq n LEU 203 N -3.21 0.75 -2.57 0.00 4.77 -1.10 -4.97 117.00 110.68 1nfq n LEU 203 Ca -0.07 0.47 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1nfq n LEU 203 Cb 0.96 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.83 1nfq n LEU 203 CO 0.46 -0.13 0.14 0.61 -1.33 0.00 0.00 177.39 177.13 1nfq n GLY 204 N 1.33 -0.06 3.60 -0.72 0.00 -1.24 -5.02 105.19 103.08 1nfq n GLY 204 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.57 0.40 0.59 1.61 1.70 -1.26 -5.08 118.95 111.33 1nfq s ARG 205 Ca 0.27 -0.17 -0.06 0.00 -0.47 0.00 0.00 55.73 55.30 1nfq s ARG 205 Cb -0.12 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 1nfq s ARG 205 CO 0.48 -0.18 0.90 0.00 -1.08 0.00 0.00 175.30 175.43 1nfq s ALA 206 N -2.51 3.30 0.24 7.88 0.00 -1.25 -4.96 121.76 124.45 1nfq s ALA 206 Ca 0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1nfq s ALA 206 Cb 0.00 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1nfq s ALA 206 CO -0.05 -0.78 0.51 0.00 0.00 0.00 0.00 175.76 175.44 1nfq s ALA 207 N -2.99 3.65 0.08 0.00 0.00 -0.38 -4.96 121.76 117.17 1nfq s ALA 207 Ca 0.54 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 1nfq s ALA 207 Cb -0.11 -2.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.66 1nfq s ALA 207 CO 0.45 0.41 0.55 -1.21 0.00 0.00 0.00 175.76 175.97 1nfq s GLU 208 N -3.15 4.14 0.51 0.00 0.41 -1.26 -1.85 118.70 117.50 1nfq s GLU 208 Ca 0.44 0.67 0.28 0.00 -0.41 0.00 0.00 54.97 55.94 1nfq s GLU 208 Cb -0.11 -3.18 1.38 0.00 -1.78 0.00 0.00 34.13 30.44 1nfq s GLU 208 CO 0.26 0.61 1.90 -1.00 -0.49 0.00 0.00 175.26 176.54 1nfq h PRO 209 N 4.36 0.09 0.00 0.39 0.13 -1.95 -0.10 132.00 134.92 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 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nfq h PRO 209 CO 0.64 0.06 -0.14 -0.24 -0.23 0.00 0.00 178.00 178.09 1nfq h VAL 210 N 0.09 0.86 0.00 1.56 3.04 -1.94 -1.26 116.25 118.60 1nfq h VAL 210 Ca 0.41 -0.53 -0.04 0.00 -1.01 0.00 0.00 66.70 65.53 1nfq h VAL 210 Cb 1.50 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 32.08 1nfq h VAL 210 CO -0.05 0.14 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.12 1nfq h GLU 211 N 0.00 0.00 0.06 4.17 5.08 -1.40 -0.25 114.58 122.24 1nfq h GLU 211 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1nfq h GLU 211 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1nfq h GLU 211 CO 0.02 0.20 -1.60 0.28 -1.00 0.00 0.00 179.01 176.91 1nfq h VAL 212 N 0.00 1.03 -0.45 3.13 2.07 -1.37 -3.33 116.25 117.33 1nfq h VAL 212 Ca -0.00 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 64.72 1nfq h VAL 212 Cb 0.42 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1nfq h VAL 212 CO 0.03 0.73 0.18 0.28 0.02 0.00 0.00 177.57 178.80 1nfq h SER 213 N 0.03 0.58 -0.64 0.57 0.02 -0.62 -1.85 113.55 111.64 1nfq h SER 213 Ca -0.26 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1nfq h SER 213 Cb 1.99 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 64.35 1nfq h SER 213 CO 0.12 0.53 0.41 0.78 -1.14 0.00 0.00 176.83 177.53 1nfq h ASN 214 N 0.64 0.76 0.24 3.07 2.35 -1.17 -0.17 115.58 121.29 1nfq h ASN 214 Ca 0.16 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 1nfq h ASN 214 Cb 0.14 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1nfq h ASN 214 CO -0.02 0.57 -0.62 0.25 -1.65 0.00 0.00 177.43 175.97 1nfq h LEU 215 N 0.89 0.43 -0.41 1.61 5.85 -1.49 -2.31 115.31 119.88 1nfq h LEU 215 Ca 0.24 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1nfq h LEU 215 Cb -0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1nfq h LEU 215 CO -0.05 0.94 0.11 0.58 -0.34 0.00 0.00 178.44 179.69 1nfq h VAL 216 N 0.28 1.22 -0.47 1.05 2.07 -0.62 -1.42 116.25 118.36 1nfq h VAL 216 Ca -0.01 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1nfq h VAL 216 Cb 1.16 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1nfq h VAL 216 CO 0.11 0.26 0.28 0.58 0.02 0.00 0.00 177.57 178.82 1nfq h VAL 217 N 0.52 1.15 -0.48 2.57 2.07 -1.01 -0.03 116.25 121.04 1nfq h VAL 217 Ca 0.13 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1nfq h VAL 217 Cb 0.29 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1nfq h VAL 217 CO -0.00 0.15 0.26 0.22 0.02 0.00 0.00 177.57 178.22 1nfq h TYR 218 N 0.62 0.48 0.00 1.57 3.20 -1.19 -0.11 116.97 121.53 1nfq h TYR 218 Ca 0.17 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1nfq h TYR 218 Cb 0.01 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1nfq h TYR 218 CO -0.03 0.26 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.29 1nfq h LEU 219 N 0.52 0.00 -0.13 2.82 3.38 -0.98 -3.06 115.31 117.86 1nfq h LEU 219 Ca 0.20 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1nfq h LEU 219 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1nfq h LEU 219 CO -0.12 0.40 -0.97 0.00 0.09 0.00 0.00 178.44 177.84 1nfq h ALA 220 N 1.60 0.42 -2.48 1.53 0.00 -0.46 -3.46 119.26 116.41 1nfq h ALA 220 Ca -0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 54.91 53.63 1nfq h ALA 220 Cb 0.85 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 18.67 1nfq h ALA 220 CO 0.05 1.07 0.29 -1.54 0.00 0.00 0.00 179.25 179.12 1nfq s SER 221 N -6.85 3.43 0.00 0.00 1.04 -0.10 -4.88 113.70 106.34 1nfq s SER 221 Ca -0.01 0.97 0.30 0.00 0.48 0.00 0.00 55.95 57.69 1nfq s SER 221 Cb 0.10 -1.55 1.55 0.00 0.10 0.00 0.00 66.02 66.22 1nfq s SER 221 CO 0.83 -2.60 2.03 0.47 0.98 0.00 0.00 173.24 174.94 1nfq n ASP 222 N -3.80 0.62 -0.00 7.02 8.00 -1.26 -3.62 116.55 123.51 1nfq n ASP 222 Ca 0.06 -1.21 -0.00 0.00 0.71 0.00 0.00 54.79 54.35 1nfq n ASP 222 Cb 0.59 -0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.98 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 0.97 0.52 -0.95 -1.24 5.08 -1.93 -2.49 114.58 114.55 1nfq h GLU 223 Ca 0.00 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 1nfq h GLU 223 Cb 0.21 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1nfq h GLU 223 CO 0.00 0.56 0.29 -1.13 -1.00 0.00 0.00 179.01 177.73 1nfq n SER 224 N -4.27 3.49 -0.12 1.42 3.41 -1.24 -4.67 113.62 111.63 1nfq n SER 224 Ca 0.01 -2.83 0.28 0.00 -0.26 0.00 0.00 58.87 56.07 1nfq n SER 224 Cb 0.25 -0.67 0.70 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.94 0.00 -0.54 4.04 4.64 -1.68 -1.81 113.55 119.13 1nfq h SER 225 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nfq h SER 225 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1nfq h SER 225 CO 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 1nfq n TYR 226 N -3.85 0.90 -3.92 4.77 9.36 -1.26 -4.90 117.16 118.26 1nfq n TYR 226 Ca 0.17 -0.55 -0.36 0.00 3.32 0.00 0.00 57.90 60.48 1nfq n TYR 226 Cb 1.01 -0.09 -0.13 0.00 -0.63 0.00 0.00 39.34 39.51 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 -1.06 4.86 -0.11 2.98 0.01 -0.68 -5.08 113.70 114.62 1nfq s SER 227 Ca 0.39 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.23 1nfq s SER 227 Cb 0.23 -1.85 0.05 0.00 0.21 0.00 0.00 66.02 64.65 1nfq s SER 227 CO 0.23 0.01 0.48 0.28 0.41 0.00 0.00 173.24 174.65 1nfq s THR 228 N 1.31 0.02 -0.68 1.44 -1.32 -1.26 -4.75 115.64 110.40 1nfq s THR 228 Ca 0.04 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1nfq s THR 228 Cb -0.15 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1nfq s THR 228 CO 0.01 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1nfq n GLY 229 N 1.99 0.83 3.76 6.08 0.00 0.45 -4.95 105.19 113.36 1nfq n GLY 229 Ca -0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.05 3.46 -0.23 4.61 0.00 -1.26 -4.65 121.76 121.64 1nfq s ALA 230 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 1nfq s ALA 230 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1nfq s ALA 230 CO 0.00 0.36 0.29 -1.21 0.00 0.00 0.00 175.76 175.21 1nfq s GLU 231 N -3.47 4.10 -0.32 0.00 2.02 -1.26 -1.55 118.70 118.22 1nfq s GLU 231 Ca 0.31 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 55.22 1nfq s GLU 231 Cb -0.08 -3.56 0.04 0.00 0.10 0.00 0.00 34.13 30.62 1nfq s GLU 231 CO 0.23 -0.04 0.07 -0.06 0.02 0.00 0.00 175.26 175.47 1nfq s PHE 232 N 1.35 3.22 -0.12 1.61 0.40 0.32 -4.99 117.98 119.78 1nfq s PHE 232 Ca 0.13 -1.44 -0.17 0.00 -0.60 0.00 0.00 56.93 54.85 1nfq s PHE 232 Cb -0.14 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1nfq s PHE 232 CO 0.07 -0.72 0.45 0.08 0.70 0.00 0.00 175.22 175.80 1nfq s VAL 233 N 1.38 5.19 -0.45 -0.44 1.01 -1.26 -0.64 120.40 125.20 1nfq s VAL 233 Ca -0.02 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1nfq s VAL 233 Cb -0.19 -3.79 0.21 0.00 0.00 0.00 0.00 36.38 32.61 1nfq s VAL 233 CO 0.02 0.35 0.45 0.55 0.00 0.00 0.00 175.10 176.47 1nfq n VAL 234 N 3.57 -0.48 -1.02 2.92 3.14 -0.83 -4.93 118.33 120.71 1nfq n VAL 234 Ca -0.08 -3.92 0.04 0.00 -2.96 0.00 0.00 64.34 57.42 1nfq n VAL 234 Cb 0.52 -1.85 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 2.07 1.49 -0.71 6.55 5.75 -1.26 -2.15 116.55 128.30 1nfq n ASP 235 Ca 0.26 -2.36 -0.09 0.00 -0.01 0.00 0.00 54.79 52.58 1nfq n ASP 235 Cb 0.48 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.75 0.97 0.09 6.12 0.00 -1.26 -2.93 105.19 107.43 1nfq n GLY 236 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.53 0.54 0.48 -0.02 0.00 -1.26 -0.44 105.19 103.96 1nfq n GLY 237 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.04 0.00 2.61 2.02 -1.67 -2.44 112.91 113.46 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 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 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 -5.51 0.28 0.47 3.16 0.24 -1.26 -2.59 118.33 113.12 1nfq n VAL 239 Ca -0.09 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.40 1nfq n VAL 239 Cb 0.42 -0.74 0.28 0.00 -1.47 0.00 0.00 33.84 32.34 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 3.05 0.91 -1.86 2.33 0.00 -1.85 -3.46 119.26 118.38 1nfq h ALA 240 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1nfq h ALA 240 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 1nfq h ALA 240 CO 0.00 0.00 -0.63 0.20 0.00 0.00 0.00 179.25 178.82 1nfq s GLY 241 N -3.81 2.22 0.20 0.00 0.00 -1.07 -5.13 107.32 99.73 1nfq s GLY 241 Ca 0.08 -2.09 -0.15 0.00 0.00 0.00 0.00 44.72 42.57 1nfq s GLY 241 CO 0.65 -2.00 0.62 1.08 0.00 0.00 0.00 173.10 173.45 1nfq s LEU 242 N -3.68 4.27 -0.27 0.66 1.43 -1.26 -5.01 118.68 114.81 1nfq s LEU 242 Ca 0.34 1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 54.31 1nfq s LEU 242 Cb 0.03 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1nfq s LEU 242 CO 0.18 0.01 1.61 0.00 0.23 0.00 0.00 176.35 178.38 1nfq s ALA 243 N -1.62 3.16 0.44 4.21 0.00 -1.26 -5.00 121.76 121.69 1nfq s ALA 243 Ca 0.43 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1nfq s ALA 243 Cb -0.14 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.06 1nfq s ALA 243 CO 0.20 -2.14 0.29 -1.01 0.00 0.00 0.00 175.76 173.10 1nfq s HIS 244 N 5.53 2.48 -0.46 0.00 3.76 -1.26 -5.27 115.29 120.07 1nfq s HIS 244 Ca 0.71 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1nfq s HIS 244 Cb -0.22 -2.04 0.03 0.00 1.11 0.00 0.00 32.58 31.46 1nfq s HIS 244 CO 0.30 -0.04 0.62 0.09 -0.85 0.00 0.00 174.74 174.85