#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nff n GLY 3 N 0.00 0.23 0.04 5.00 0.00 -1.17 -4.85 105.19 104.43 1nff n GLY 3 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1nff n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nff n ARG 4 N -0.80 0.05 -0.70 1.61 1.74 -1.11 -2.30 116.66 115.15 1nff n ARG 4 Ca 0.00 0.32 0.06 0.00 -0.77 0.00 0.00 57.85 57.46 1nff n ARG 4 Cb 0.25 -1.60 0.15 0.00 -1.02 0.00 0.00 32.46 30.24 1nff n ARG 4 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nff n LEU 5 N -1.70 2.21 -4.67 0.55 4.77 -0.09 -4.64 117.00 113.42 1nff n LEU 5 Ca 0.03 -3.29 -0.45 0.00 -0.03 0.00 0.00 56.01 52.26 1nff n LEU 5 Cb 0.17 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1nff n LEU 5 CO 0.14 1.08 1.07 0.41 -1.33 0.00 0.00 177.39 178.76 1nff n THR 6 N -0.80 0.62 -0.66 -5.08 -1.04 -0.97 -1.55 114.28 104.80 1nff n THR 6 Ca 0.15 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nff n THR 6 Cb 0.77 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 1nff n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nff n GLY 7 N 2.56 1.21 3.84 3.41 0.00 -1.26 -5.00 105.19 109.95 1nff n GLY 7 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1nff n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nff s LYS 8 N -0.15 4.06 -0.09 1.61 -0.14 -0.59 -5.00 119.74 119.44 1nff s LYS 8 Ca 0.00 0.62 0.03 0.00 -1.36 0.00 0.00 55.97 55.26 1nff s LYS 8 Cb 0.00 -2.84 0.01 0.00 -1.68 0.00 0.00 37.83 33.31 1nff s LYS 8 CO 0.00 0.41 -0.19 0.08 -0.76 0.00 0.00 175.35 174.88 1nff s VAL 9 N -1.56 1.69 0.20 3.17 1.01 -1.26 -1.30 120.40 122.35 1nff s VAL 9 Ca 0.42 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1nff s VAL 9 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1nff s VAL 9 CO 0.20 0.48 -0.18 0.00 0.00 0.00 0.00 175.10 175.60 1nff s ALA 10 N 0.48 2.16 -0.12 5.51 0.00 -0.03 -0.29 121.76 129.47 1nff s ALA 10 Ca -0.17 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.18 1nff s ALA 10 Cb -0.17 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1nff s ALA 10 CO 0.07 0.20 -0.14 -1.17 0.00 0.00 0.00 175.76 174.71 1nff s LEU 11 N -3.02 1.66 -0.17 0.00 2.96 0.56 -0.50 118.68 120.17 1nff s LEU 11 Ca 0.21 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1nff s LEU 11 Cb -0.04 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1nff s LEU 11 CO 0.08 -0.02 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.21 1nff s VAL 12 N 1.23 2.17 0.28 1.68 1.01 -0.08 -0.82 120.40 125.87 1nff s VAL 12 Ca -0.01 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1nff s VAL 12 Cb -0.14 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1nff s VAL 12 CO -0.06 0.53 0.71 -0.94 0.00 0.00 0.00 175.10 175.34 1nff s SER 13 N 1.21 6.82 -1.41 3.32 1.04 -0.86 -0.92 113.70 122.90 1nff s SER 13 Ca 0.03 1.26 -0.05 0.00 0.48 0.00 0.00 55.95 57.67 1nff s SER 13 Cb -0.14 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.63 1nff s SER 13 CO -0.10 -0.13 0.63 0.61 0.98 0.00 0.00 173.24 175.23 1nff n GLY 14 N -0.05 -0.42 0.83 7.32 0.00 0.78 -2.36 105.19 111.29 1nff n GLY 14 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1nff n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nff n GLY 15 N -1.52 1.09 0.17 -0.02 0.00 -1.00 -4.03 105.19 99.88 1nff n GLY 15 Ca -0.09 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1nff n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nff h ALA 16 N 3.84 1.00 -2.70 4.61 0.00 -1.89 -3.08 119.26 121.05 1nff h ALA 16 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nff h ALA 16 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nff h ALA 16 CO 0.00 0.00 0.30 2.89 0.00 0.00 0.00 179.25 182.44 1nff n ARG 17 N -2.64 0.83 0.00 0.00 1.85 -1.26 -4.59 116.66 110.85 1nff n ARG 17 Ca 0.04 -1.67 0.00 0.00 -1.00 0.00 0.00 57.85 55.22 1nff n ARG 17 Cb 0.42 2.12 0.00 0.00 -1.05 0.00 0.00 32.46 33.95 1nff n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nff n GLY 18 N -0.49 1.92 0.34 2.89 0.00 -1.26 -2.05 105.19 106.55 1nff n GLY 18 Ca -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1nff n GLY 18 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nff h MET 19 N 0.00 1.10 -0.45 1.61 2.86 -1.91 -2.22 114.93 115.91 1nff h MET 19 Ca 0.00 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1nff h MET 19 Cb 0.00 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.40 1nff h MET 19 CO 0.00 0.83 0.15 0.78 1.06 0.00 0.00 176.91 179.73 1nff h GLY 20 N 1.13 0.59 1.07 8.32 0.00 -1.66 0.23 103.07 112.75 1nff h GLY 20 Ca 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1nff h GLY 20 CO -0.04 0.01 0.38 0.00 0.00 0.00 0.00 176.54 176.89 1nff h ALA 21 N 1.31 1.12 -0.80 3.60 0.00 -1.10 -1.57 119.26 121.81 1nff h ALA 21 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nff h ALA 21 Cb 0.22 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1nff h ALA 21 CO -0.23 0.66 0.36 1.03 0.00 0.00 0.00 179.25 181.06 1nff h SER 22 N 1.18 1.08 -0.63 0.00 0.87 -0.58 -2.00 113.55 113.46 1nff h SER 22 Ca 0.28 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1nff h SER 22 Cb 0.14 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1nff h SER 22 CO -0.03 0.93 0.10 0.45 -0.53 0.00 0.00 176.83 177.75 1nff h HIS 23 N 1.15 1.11 0.04 2.24 3.86 -0.02 -0.48 115.15 123.05 1nff h HIS 23 Ca 0.27 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1nff h HIS 23 Cb 0.16 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1nff h HIS 23 CO 0.02 0.95 -0.04 0.28 0.86 0.00 0.00 177.93 179.99 1nff h VAL 24 N 0.96 0.90 -0.57 2.45 2.07 -0.98 -0.98 116.25 120.10 1nff h VAL 24 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1nff h VAL 24 Cb 0.44 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1nff h VAL 24 CO 0.01 0.00 0.36 0.03 0.02 0.00 0.00 177.57 177.99 1nff h ARG 25 N -0.09 0.77 -0.76 1.57 3.08 -1.22 -1.08 114.38 116.64 1nff h ARG 25 Ca 0.01 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1nff h ARG 25 Cb 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1nff h ARG 25 CO -0.02 0.53 0.34 0.00 -1.07 0.00 0.00 179.97 179.76 1nff h ALA 26 N 1.19 0.99 -0.09 0.04 0.00 -0.87 -1.23 119.26 119.28 1nff h ALA 26 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1nff h ALA 26 Cb -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1nff h ALA 26 CO -0.04 0.57 -0.78 0.52 0.00 0.00 0.00 179.25 179.52 1nff h MET 27 N 1.08 0.55 -0.75 0.00 2.86 -1.00 -2.93 114.93 114.74 1nff h MET 27 Ca 0.26 -0.47 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1nff h MET 27 Cb 0.15 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1nff h MET 27 CO -0.03 1.10 0.37 0.28 1.06 0.00 0.00 176.91 179.69 1nff h VAL 28 N 0.37 1.23 0.00 -2.22 2.07 -1.02 -0.94 116.25 115.75 1nff h VAL 28 Ca -0.05 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1nff h VAL 28 Cb 1.38 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1nff h VAL 28 CO 0.14 0.28 -0.08 0.00 0.02 0.00 0.00 177.57 177.93 1nff h ALA 29 N 1.34 1.29 -0.61 1.67 0.00 -1.10 -1.57 119.26 120.29 1nff h ALA 29 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nff h ALA 29 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nff h ALA 29 CO -0.04 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.70 1nff n GLU 30 N -3.61 3.10 -0.29 0.00 -0.58 -0.44 -4.45 120.64 114.37 1nff n GLU 30 Ca -0.02 -2.47 0.00 0.00 -0.42 0.00 0.00 57.16 54.25 1nff n GLU 30 Cb 0.20 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1nff n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nff n GLY 31 N 1.23 0.70 3.85 0.62 0.00 -0.59 -0.91 105.19 110.09 1nff n GLY 31 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1nff n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nff s ALA 32 N -2.42 3.20 -0.15 4.61 0.00 -0.69 -4.20 121.76 122.10 1nff s ALA 32 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1nff s ALA 32 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 1nff s ALA 32 CO 0.00 -0.06 0.18 0.15 0.00 0.00 0.00 175.76 176.04 1nff s LYS 33 N -3.80 3.95 -0.08 0.00 -0.14 -0.42 -4.25 119.74 115.00 1nff s LYS 33 Ca 0.56 -0.09 0.02 0.00 -1.36 0.00 0.00 55.97 55.09 1nff s LYS 33 Cb -0.10 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 1nff s LYS 33 CO 0.28 0.47 -0.11 0.08 -0.76 0.00 0.00 175.35 175.31 1nff s VAL 34 N -0.16 1.13 -0.23 3.17 1.01 0.77 -0.85 120.40 125.24 1nff s VAL 34 Ca 0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1nff s VAL 34 Cb -0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1nff s VAL 34 CO 0.02 0.36 0.13 -0.69 0.00 0.00 0.00 175.10 174.92 1nff s VAL 35 N 0.92 5.16 -0.03 2.92 1.01 0.34 -0.70 120.40 130.02 1nff s VAL 35 Ca -0.10 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1nff s VAL 35 Cb -0.15 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1nff s VAL 35 CO 0.01 0.37 -0.17 0.72 0.00 0.00 0.00 175.10 176.03 1nff s PHE 36 N 0.92 1.65 0.19 5.22 -0.12 -0.27 -0.90 117.98 124.67 1nff s PHE 36 Ca 0.07 -0.43 0.11 0.00 -0.05 0.00 0.00 56.93 56.63 1nff s PHE 36 Cb -0.13 -1.10 -0.04 0.00 -0.63 0.00 0.00 43.02 41.11 1nff s PHE 36 CO 0.03 -0.12 -0.21 0.20 -0.05 0.00 0.00 175.22 175.07 1nff s GLY 37 N -0.09 1.72 0.09 1.99 0.00 -0.09 -1.45 107.32 109.48 1nff s GLY 37 Ca -0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 1nff s GLY 37 CO 0.01 -1.64 0.42 1.34 0.00 0.00 0.00 173.10 173.23 1nff n ASP 38 N 0.21 -0.75 -0.19 1.64 -0.08 -1.04 -0.15 116.55 116.18 1nff n ASP 38 Ca -0.12 -1.41 0.03 0.00 -1.51 0.00 0.00 54.79 51.78 1nff n ASP 38 Cb 0.56 1.22 0.01 0.00 2.34 0.00 0.00 41.12 45.26 1nff n ASP 38 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1nff n ILE 39 N -0.29 0.00 -3.08 5.18 -5.35 -1.26 -0.85 119.36 113.71 1nff n ILE 39 Ca -0.01 -0.47 -0.44 0.00 -0.27 0.00 0.00 62.75 61.56 1nff n ILE 39 Cb 0.24 1.10 0.01 0.00 -1.74 0.00 0.00 39.64 39.25 1nff n ILE 39 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nff n LEU 40 N -0.01 6.17 -0.19 7.28 4.77 -1.26 -4.86 117.00 128.90 1nff n LEU 40 Ca 0.03 -5.14 0.04 0.00 -0.03 0.00 0.00 56.01 50.91 1nff n LEU 40 Cb 0.14 -1.34 0.31 0.00 -2.33 0.00 0.00 43.42 40.19 1nff n LEU 40 CO 0.06 1.58 1.22 0.44 -1.33 0.00 0.00 177.39 179.36 1nff h ASP 41 N 5.81 0.75 0.46 -1.43 3.32 -1.97 0.93 116.42 124.28 1nff h ASP 41 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1nff h ASP 41 Cb 0.69 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1nff h ASP 41 CO 1.25 0.51 -0.32 -0.33 -1.72 0.00 0.00 179.24 178.63 1nff h GLU 42 N 0.86 -0.73 -0.38 3.56 3.07 -2.00 0.82 114.58 119.79 1nff h GLU 42 Ca 0.29 0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1nff h GLU 42 Cb 0.09 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1nff h GLU 42 CO -0.09 -0.49 -0.14 0.93 -1.40 0.00 0.00 179.01 177.83 1nff h GLU 43 N -0.76 0.69 -0.12 2.33 5.08 -1.87 -2.53 114.58 117.40 1nff h GLU 43 Ca -0.05 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1nff h GLU 43 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nff h GLU 43 CO 0.03 0.80 0.07 0.78 -1.00 0.00 0.00 179.01 179.69 1nff h GLY 44 N 0.97 0.17 1.66 -3.84 0.00 -0.47 -2.36 103.07 99.21 1nff h GLY 44 Ca 0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1nff h GLY 44 CO 0.04 0.07 -0.13 0.50 0.00 0.00 0.00 176.54 177.02 1nff h LYS 45 N 0.12 0.41 0.60 4.80 1.57 -0.80 -2.29 116.57 120.98 1nff h LYS 45 Ca 0.04 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1nff h LYS 45 Cb 0.03 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nff h LYS 45 CO -0.01 0.55 -0.35 0.00 -0.57 0.00 0.00 179.45 179.07 1nff h ALA 46 N 1.48 -0.90 0.00 3.86 0.00 -1.06 -1.56 119.26 121.08 1nff h ALA 46 Ca 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1nff h ALA 46 Cb 0.47 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1nff h ALA 46 CO 0.03 -1.01 -0.24 0.00 0.00 0.00 0.00 179.25 178.02 1nff h MET 47 N -0.89 0.00 -0.11 0.00 -0.00 -1.41 -2.16 114.93 110.37 1nff h MET 47 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.54 1nff h MET 47 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.30 1nff h MET 47 CO 0.09 0.24 -0.30 0.00 -0.00 0.00 0.00 176.91 176.94 1nff h ALA 48 N 1.76 1.30 -0.23 -3.00 0.00 -1.14 -1.80 119.26 116.15 1nff h ALA 48 Ca -0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1nff h ALA 48 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nff h ALA 48 CO 0.03 0.48 -0.35 0.00 0.00 0.00 0.00 179.25 179.42 1nff h ALA 49 N 1.52 0.98 -0.00 0.00 0.00 -0.61 0.76 119.26 121.90 1nff h ALA 49 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1nff h ALA 49 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nff h ALA 49 CO 0.05 0.61 -0.24 -0.85 0.00 0.00 0.00 179.25 178.81 1nff n GLU 50 N -4.06 0.33 -0.10 0.00 0.28 -0.95 -3.49 120.64 112.64 1nff n GLU 50 Ca -0.01 -0.14 0.03 0.00 -0.16 0.00 0.00 57.16 56.88 1nff n GLU 50 Cb 0.47 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.89 1nff n GLU 50 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nff n LEU 51 N -1.21 1.47 -0.30 -1.84 4.77 -0.72 -4.91 117.00 114.26 1nff n LEU 51 Ca 0.09 -1.86 0.20 0.00 -0.03 0.00 0.00 56.01 54.41 1nff n LEU 51 Cb 0.32 -0.14 0.38 0.00 -2.33 0.00 0.00 43.42 41.65 1nff n LEU 51 CO 0.29 0.45 0.81 0.00 -1.33 0.00 0.00 177.39 177.61 1nff n ALA 52 N -0.64 0.66 0.54 -1.18 0.00 0.26 -0.38 120.51 119.77 1nff n ALA 52 Ca 0.05 0.94 0.12 0.00 0.00 0.00 0.00 53.44 54.55 1nff n ALA 52 Cb 0.49 -0.79 0.45 0.00 0.00 0.00 0.00 19.45 19.60 1nff n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nff n ASP 53 N -5.18 0.57 0.00 0.00 4.64 -1.26 -3.83 116.55 111.49 1nff n ASP 53 Ca 0.27 0.60 0.00 0.00 -1.38 0.00 0.00 54.79 54.28 1nff n ASP 53 Cb 0.89 -0.74 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 1nff n ASP 53 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nff n ALA 54 N -1.72 1.24 -2.85 -1.67 0.00 0.39 -5.07 120.51 110.82 1nff n ALA 54 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1nff n ALA 54 Cb 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 1nff n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nff s ALA 55 N -0.54 0.17 -0.03 0.00 0.00 0.49 -0.16 121.76 121.69 1nff s ALA 55 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1nff s ALA 55 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1nff s ALA 55 CO 0.00 -0.19 -0.10 1.03 0.00 0.00 0.00 175.76 176.50 1nff s ARG 56 N -1.81 1.07 -0.02 0.00 1.81 0.13 -4.25 118.95 115.87 1nff s ARG 56 Ca -0.13 -0.35 -0.10 0.00 -1.72 0.00 0.00 55.73 53.43 1nff s ARG 56 Cb -0.07 -0.98 -0.05 0.00 -0.45 0.00 0.00 34.95 33.39 1nff s ARG 56 CO -0.02 0.14 0.30 -0.47 -0.68 0.00 0.00 175.30 174.56 1nff s TYR 57 N 0.14 3.64 0.02 -0.53 5.04 -1.26 -1.11 117.35 123.28 1nff s TYR 57 Ca -0.03 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1nff s TYR 57 Cb -0.09 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 1nff s TYR 57 CO 0.01 0.65 -0.06 0.14 -1.34 0.00 0.00 175.55 174.95 1nff s VAL 58 N -1.16 0.39 -0.19 3.14 -7.23 -0.53 -4.94 120.40 109.89 1nff s VAL 58 Ca 0.23 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 1nff s VAL 58 Cb -0.14 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1nff s VAL 58 CO 0.12 -0.20 1.06 -2.28 -0.31 0.00 0.00 175.10 173.49 1nff s HIS 59 N -0.85 3.33 -0.16 2.82 2.46 -1.26 -2.51 115.29 119.11 1nff s HIS 59 Ca -0.06 1.45 -0.04 0.00 0.47 0.00 0.00 55.06 56.87 1nff s HIS 59 Cb -0.06 -3.28 0.07 0.00 -0.13 0.00 0.00 32.58 29.17 1nff s HIS 59 CO -0.00 -0.57 0.13 -1.17 -2.47 0.00 0.00 174.74 170.66 1nff s LEU 60 N 2.90 0.17 -0.45 8.88 2.96 -0.03 -4.83 118.68 128.29 1nff s LEU 60 Ca 0.47 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 1nff s LEU 60 Cb -0.17 -0.02 0.03 0.00 0.50 0.00 0.00 46.19 46.54 1nff s LEU 60 CO 0.10 -0.33 0.49 -0.62 -1.32 0.00 0.00 176.35 174.67 1nff s ASP 61 N 2.21 6.21 0.10 3.68 -1.08 -1.26 -3.78 116.67 122.75 1nff s ASP 61 Ca 0.04 -0.77 0.07 0.00 -0.52 0.00 0.00 52.55 51.36 1nff s ASP 61 Cb -0.15 -2.24 0.36 0.00 -1.46 0.00 0.00 42.92 39.42 1nff s ASP 61 CO -0.09 -0.67 1.17 1.33 0.52 0.00 0.00 175.17 177.43 1nff n VAL 62 N 5.48 1.58 1.28 1.11 0.24 -1.26 -1.24 118.33 125.51 1nff n VAL 62 Ca -0.07 0.58 0.14 0.00 -2.04 0.00 0.00 64.34 62.95 1nff n VAL 62 Cb 0.47 -1.58 0.59 0.00 -1.47 0.00 0.00 33.84 31.84 1nff n VAL 62 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nff n THR 63 N -1.71 0.00 -3.88 3.34 -2.24 -1.26 -4.24 114.28 104.29 1nff n THR 63 Ca -0.00 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1nff n THR 63 Cb 0.05 -0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 1nff n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nff s GLN 64 N -2.66 2.58 0.38 -0.78 -0.21 -0.38 -4.98 119.66 113.62 1nff s GLN 64 Ca 0.24 -1.17 0.10 0.00 0.02 0.00 0.00 55.36 54.55 1nff s GLN 64 Cb 0.20 -3.21 0.88 0.00 1.00 0.00 0.00 33.01 31.87 1nff s GLN 64 CO 0.51 -0.58 1.90 -1.00 -2.12 0.00 0.00 175.29 174.01 1nff h PRO 65 N 8.06 0.60 -0.89 2.91 0.13 -1.85 -1.95 132.00 139.00 1nff h PRO 65 Ca -0.24 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1nff h PRO 65 Cb 1.08 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1nff h PRO 65 CO 0.56 0.40 0.49 0.00 -0.23 0.00 0.00 178.00 179.22 1nff h ALA 66 N 1.61 1.20 -0.16 -0.56 0.00 -1.95 -1.50 119.26 117.91 1nff h ALA 66 Ca 0.40 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1nff h ALA 66 Cb 0.68 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nff h ALA 66 CO -0.16 0.65 -0.48 1.96 0.00 0.00 0.00 179.25 181.22 1nff h GLN 67 N 1.24 0.41 -0.49 0.00 4.20 -1.68 -2.12 115.11 116.66 1nff h GLN 67 Ca 0.31 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1nff h GLN 67 Cb 0.01 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1nff h GLN 67 CO -0.05 0.80 0.19 -1.49 -0.67 0.00 0.00 178.83 177.61 1nff h TRP 68 N 0.33 0.76 -0.75 2.96 4.06 -1.13 -0.69 115.95 121.48 1nff h TRP 68 Ca 0.02 -0.06 0.03 0.00 2.06 0.00 0.00 58.89 60.93 1nff h TRP 68 Cb 0.97 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.86 1nff h TRP 68 CO 0.03 0.64 0.48 -0.22 -3.56 0.00 0.00 178.44 175.81 1nff h LYS 69 N 0.66 0.92 -0.68 0.49 3.64 -1.06 -0.81 116.57 119.73 1nff h LYS 69 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1nff h LYS 69 Cb 0.21 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1nff h LYS 69 CO -0.01 0.61 0.30 0.00 -2.27 0.00 0.00 179.45 178.07 1nff h ALA 70 N 1.31 0.87 -0.56 5.00 0.00 -0.99 -0.02 119.26 124.88 1nff h ALA 70 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nff h ALA 70 Cb -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1nff h ALA 70 CO -0.10 0.46 0.26 0.00 0.00 0.00 0.00 179.25 179.87 1nff h ALA 71 N 1.14 0.72 -0.44 0.00 0.00 -0.45 0.10 119.26 120.32 1nff h ALA 71 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nff h ALA 71 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nff h ALA 71 CO -0.02 0.28 0.04 0.28 0.00 0.00 0.00 179.25 179.83 1nff h VAL 72 N 0.75 1.25 -0.19 0.00 2.07 -0.88 -2.34 116.25 116.91 1nff h VAL 72 Ca 0.19 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1nff h VAL 72 Cb 0.12 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1nff h VAL 72 CO -0.02 0.33 -0.05 0.44 0.02 0.00 0.00 177.57 178.28 1nff h ASP 73 N 0.60 0.27 -0.48 0.57 3.32 -0.71 -1.49 116.42 118.50 1nff h ASP 73 Ca 0.13 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1nff h ASP 73 Cb 0.43 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1nff h ASP 73 CO 0.01 0.37 0.10 0.74 -1.72 0.00 0.00 179.24 178.74 1nff h THR 74 N 0.28 1.24 -0.37 0.35 2.02 -0.58 0.48 112.91 116.33 1nff h THR 74 Ca 0.06 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1nff h THR 74 Cb 0.28 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1nff h THR 74 CO 0.01 0.31 0.12 0.00 0.37 0.00 0.00 175.52 176.33 1nff h ALA 75 N 0.97 0.49 -0.19 6.16 0.00 -0.89 0.18 119.26 125.98 1nff h ALA 75 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nff h ALA 75 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nff h ALA 75 CO 0.00 0.13 0.01 0.28 0.00 0.00 0.00 179.25 179.68 1nff h VAL 76 N 0.46 1.24 0.03 0.00 2.07 -1.15 -0.42 116.25 118.48 1nff h VAL 76 Ca 0.12 -0.82 -0.22 0.00 0.82 0.00 0.00 66.70 66.61 1nff h VAL 76 Cb 0.26 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1nff h VAL 76 CO -0.00 0.25 -1.01 0.71 0.02 0.00 0.00 177.57 177.54 1nff h THR 77 N 0.10 1.62 0.15 2.57 1.35 -0.90 -0.63 112.91 117.18 1nff h THR 77 Ca 0.06 -3.15 -0.34 0.00 -0.55 0.00 0.00 66.41 62.42 1nff h THR 77 Cb 0.36 2.77 -0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1nff h THR 77 CO 0.01 0.91 -1.76 0.00 -0.25 0.00 0.00 175.52 174.43 1nff h ALA 78 N 0.94 0.27 0.00 6.62 0.00 -0.70 -3.40 119.26 122.98 1nff h ALA 78 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1nff h ALA 78 Cb 1.73 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1nff h ALA 78 CO 0.14 1.14 -0.69 1.19 0.00 0.00 0.00 179.25 181.03 1nff n PHE 79 N -3.51 0.00 0.00 0.00 0.99 -0.19 -5.03 117.46 109.71 1nff n PHE 79 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.21 1nff n PHE 79 Cb 1.06 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.49 1nff n PHE 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nff n GLY 80 N 1.39 2.35 0.00 1.37 0.00 -0.25 -4.99 105.19 105.06 1nff n GLY 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nff n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nff n GLY 81 N -1.47 0.65 3.16 -0.02 0.00 -1.22 -4.88 105.19 101.41 1nff n GLY 81 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1nff n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nff s LEU 82 N 0.00 -0.84 -0.00 0.99 2.96 -1.26 -3.64 118.68 116.89 1nff s LEU 82 Ca 0.00 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 1nff s LEU 82 Cb 0.00 1.53 -0.06 0.00 0.50 0.00 0.00 46.19 48.16 1nff s LEU 82 CO 0.00 -0.26 0.10 1.41 -1.32 0.00 0.00 176.35 176.28 1nff n HIS 83 N 5.40 0.00 -4.24 5.38 8.25 0.61 -4.16 115.22 126.45 1nff n HIS 83 Ca -0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.22 1nff n HIS 83 Cb 0.50 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 31.38 1nff n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nff s VAL 84 N -2.10 0.56 -0.09 1.59 1.01 -0.59 -0.81 120.40 119.96 1nff s VAL 84 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1nff s VAL 84 Cb 0.03 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1nff s VAL 84 CO 0.16 0.18 -0.14 -0.22 0.00 0.00 0.00 175.10 175.09 1nff s LEU 85 N 0.18 1.65 -0.37 3.92 2.96 -0.64 -0.32 118.68 126.06 1nff s LEU 85 Ca -0.02 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1nff s LEU 85 Cb -0.07 -0.98 0.10 0.00 0.50 0.00 0.00 46.19 45.75 1nff s LEU 85 CO -0.00 0.01 0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 1nff s VAL 86 N 0.91 2.90 -1.29 1.68 1.01 0.00 -0.10 120.40 125.51 1nff s VAL 86 Ca -0.09 -2.08 -0.18 0.00 0.00 0.00 0.00 61.98 59.63 1nff s VAL 86 Cb -0.15 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1nff s VAL 86 CO 0.00 -0.59 1.76 0.20 0.00 0.00 0.00 175.10 176.47 1nff s ASN 87 N 1.45 6.67 -0.13 3.32 0.01 0.06 -2.03 114.94 124.29 1nff s ASN 87 Ca 0.07 -2.38 0.19 0.00 -0.71 0.00 0.00 52.86 50.03 1nff s ASN 87 Cb -0.21 -2.58 -0.27 0.00 0.41 0.00 0.00 41.25 38.59 1nff s ASN 87 CO -0.05 -1.35 0.24 -3.20 -1.51 0.00 0.00 177.10 171.23 1nff n ASN 88 N 8.95 0.05 -4.62 -1.22 2.85 -1.24 -2.15 115.26 117.88 1nff n ASN 88 Ca 0.49 0.02 -0.47 0.00 -0.11 0.00 0.00 54.58 54.51 1nff n ASN 88 Cb 0.46 1.27 -0.04 0.00 1.24 0.00 0.00 39.78 42.71 1nff n ASN 88 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nff n ALA 89 N -2.58 0.09 -3.57 5.20 0.00 -0.99 -4.84 120.51 113.82 1nff n ALA 89 Ca -0.23 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 1nff n ALA 89 Cb 0.96 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1nff n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nff s GLY 90 N 0.18 -0.35 0.21 0.00 0.00 -1.26 -4.72 107.32 101.38 1nff s GLY 90 Ca 0.72 1.36 0.04 0.00 0.00 0.00 0.00 44.72 46.84 1nff s GLY 90 CO 0.50 0.45 -0.02 -0.26 0.00 0.00 0.00 173.10 173.77 1nff s ILE 91 N -2.66 1.07 -0.08 0.90 -4.36 -1.26 -5.04 121.20 109.77 1nff s ILE 91 Ca 0.08 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1nff s ILE 91 Cb -0.01 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1nff s ILE 91 CO -0.06 -0.41 -0.06 -0.22 0.24 0.00 0.00 174.94 174.44 1nff s LEU 92 N -3.28 1.13 0.08 0.37 2.96 -1.26 -4.94 118.68 113.74 1nff s LEU 92 Ca 0.26 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1nff s LEU 92 Cb 0.05 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 1nff s LEU 92 CO 0.07 -0.10 -0.08 0.54 -1.32 0.00 0.00 176.35 175.46 1nff s ASN 93 N 1.46 1.19 0.32 3.68 2.20 -1.26 -5.16 114.94 117.37 1nff s ASN 93 Ca -0.01 -0.80 0.04 0.00 -0.94 0.00 0.00 52.86 51.14 1nff s ASN 93 Cb -0.13 0.04 -0.03 0.00 -2.00 0.00 0.00 41.25 39.13 1nff s ASN 93 CO -0.04 -0.31 0.18 0.27 -2.94 0.00 0.00 177.10 174.25 1nff s ILE 94 N -2.53 0.29 0.00 0.54 -4.36 -1.26 -4.59 121.20 109.28 1nff s ILE 94 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1nff s ILE 94 Cb -0.02 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1nff s ILE 94 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1nff n GLY 95 N -0.61 4.12 3.78 6.27 0.00 -0.07 -4.82 105.19 113.85 1nff n GLY 95 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1nff n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nff s THR 96 N -1.68 2.57 0.39 2.61 -4.23 -1.26 -4.13 115.64 109.91 1nff s THR 96 Ca 0.00 0.19 0.13 0.00 -1.18 0.00 0.00 61.69 60.82 1nff s THR 96 Cb 0.00 -2.88 0.34 0.00 1.34 0.00 0.00 72.50 71.31 1nff s THR 96 CO 0.00 -0.24 1.89 0.40 -0.54 0.00 0.00 174.62 176.13 1nff h ILE 97 N -1.36 0.80 -0.09 2.99 2.04 -1.96 0.05 117.51 119.99 1nff h ILE 97 Ca -0.49 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1nff h ILE 97 Cb 1.30 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1nff h ILE 97 CO 0.59 0.10 -0.34 -0.33 0.00 0.00 0.00 178.15 178.17 1nff h GLU 98 N 0.54 0.38 0.00 2.37 3.07 -2.05 -3.36 114.58 115.52 1nff h GLU 98 Ca 0.41 -0.29 -0.10 0.00 -0.50 0.00 0.00 59.36 58.88 1nff h GLU 98 Cb 0.82 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 1nff h GLU 98 CO -0.16 0.93 -1.11 0.38 -1.40 0.00 0.00 179.01 177.65 1nff h ASP 99 N -0.08 0.00 -2.16 1.42 2.03 -1.82 -3.46 116.42 112.34 1nff h ASP 99 Ca -0.02 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.71 1nff h ASP 99 Cb 0.98 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.49 1nff h ASP 99 CO 0.07 0.37 1.24 0.00 -1.03 0.00 0.00 179.24 179.88 1nff n TYR 100 N -2.88 2.36 -2.63 4.15 9.36 -0.03 -4.90 117.16 122.58 1nff n TYR 100 Ca -0.05 -0.21 -0.37 0.00 3.32 0.00 0.00 57.90 60.60 1nff n TYR 100 Cb 0.72 -2.74 -0.05 0.00 -0.63 0.00 0.00 39.34 36.64 1nff n TYR 100 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nff s ALA 101 N 4.96 3.15 0.33 2.98 0.00 -1.26 -4.93 121.76 126.98 1nff s ALA 101 Ca 0.93 0.64 0.28 0.00 0.00 0.00 0.00 51.96 53.80 1nff s ALA 101 Cb -0.52 -3.24 1.34 0.00 0.00 0.00 0.00 23.12 20.70 1nff s ALA 101 CO 0.45 -0.07 2.01 -0.07 0.00 0.00 0.00 175.76 178.08 1nff h LEU 102 N 2.78 0.00 -0.72 0.00 3.38 -1.99 -1.41 115.31 117.35 1nff h LEU 102 Ca -0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 1nff h LEU 102 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1nff h LEU 102 CO 0.63 0.14 -0.37 0.71 0.09 0.00 0.00 178.44 179.64 1nff h THR 103 N 0.00 1.29 -0.34 0.22 1.35 -1.99 -0.63 112.91 112.82 1nff h THR 103 Ca -0.00 -1.51 -0.12 0.00 -0.55 0.00 0.00 66.41 64.23 1nff h THR 103 Cb 0.45 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1nff h THR 103 CO 0.02 0.48 -0.24 -0.33 -0.25 0.00 0.00 175.52 175.19 1nff h GLU 104 N 0.46 0.76 -0.10 4.72 5.08 -1.67 -1.06 114.58 122.78 1nff h GLU 104 Ca 0.05 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1nff h GLU 104 Cb 0.85 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1nff h GLU 104 CO 0.07 0.99 0.06 2.35 -1.00 0.00 0.00 179.01 181.48 1nff h TRP 105 N 0.54 0.13 -0.68 4.33 2.91 -1.13 -1.66 115.95 120.38 1nff h TRP 105 Ca 0.07 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.02 1nff h TRP 105 Cb 0.80 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1nff h TRP 105 CO 0.06 0.09 0.14 1.96 -1.03 0.00 0.00 178.44 179.66 1nff h GLN 106 N 0.13 1.10 -0.57 2.65 1.08 -1.07 -1.98 115.11 116.43 1nff h GLN 106 Ca 0.04 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1nff h GLN 106 Cb -0.01 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1nff h GLN 106 CO -0.01 0.98 0.33 -0.09 -0.95 0.00 0.00 178.83 179.10 1nff h ARG 107 N 1.03 0.78 -0.03 1.46 9.65 -0.96 0.56 114.38 126.89 1nff h ARG 107 Ca 0.21 -0.08 -0.12 0.00 -1.10 0.00 0.00 59.98 58.89 1nff h ARG 107 Cb 0.40 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1nff h ARG 107 CO 0.01 0.58 -0.56 0.97 2.80 0.00 0.00 179.97 183.77 1nff h ILE 108 N 0.77 1.39 -0.47 1.20 2.10 -1.16 -1.50 117.51 119.84 1nff h ILE 108 Ca 0.20 -1.89 -0.07 0.00 1.08 0.00 0.00 64.86 64.18 1nff h ILE 108 Cb 0.00 1.99 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1nff h ILE 108 CO -0.04 0.55 0.00 -0.07 -1.08 0.00 0.00 178.15 177.51 1nff h LEU 109 N 0.06 0.81 -0.04 2.19 4.07 -0.92 -0.34 115.31 121.14 1nff h LEU 109 Ca -0.00 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1nff h LEU 109 Cb 1.00 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 1nff h LEU 109 CO 0.08 0.91 0.03 0.44 -1.08 0.00 0.00 178.44 178.82 1nff h ASP 110 N 0.67 0.05 0.05 -0.43 3.32 -0.50 -0.23 116.42 119.35 1nff h ASP 110 Ca 0.13 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1nff h ASP 110 Cb 0.50 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1nff h ASP 110 CO 0.02 0.03 -0.02 0.58 -1.72 0.00 0.00 179.24 178.13 1nff h VAL 111 N 0.05 0.68 0.00 -1.35 2.07 -1.26 0.12 116.25 116.56 1nff h VAL 111 Ca 0.01 -1.41 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 1nff h VAL 111 Cb -0.01 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1nff h VAL 111 CO -0.00 0.22 -0.55 0.78 0.02 0.00 0.00 177.57 178.04 1nff h ASN 112 N -0.99 0.00 0.00 0.57 4.21 -1.19 -3.13 115.58 115.05 1nff h ASN 112 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1nff h ASN 112 Cb 0.41 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1nff h ASN 112 CO 0.01 0.55 -0.37 -0.11 -1.29 0.00 0.00 177.43 176.22 1nff n LEU 113 N -3.76 0.98 -0.34 1.61 7.94 -0.79 -4.39 117.00 118.25 1nff n LEU 113 Ca -0.01 0.16 -0.01 0.00 -1.11 0.00 0.00 56.01 55.04 1nff n LEU 113 Cb 0.58 -0.47 0.12 0.00 0.53 0.00 0.00 43.42 44.18 1nff n LEU 113 CO 0.41 -0.48 1.24 0.74 -1.11 0.00 0.00 177.39 178.19 1nff h THR 114 N -0.37 1.16 -0.95 1.96 2.02 -1.08 -1.86 112.91 113.79 1nff h THR 114 Ca 0.00 -0.40 0.10 0.00 0.77 0.00 0.00 66.41 66.88 1nff h THR 114 Cb 0.37 -0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 1nff h THR 114 CO 0.00 0.21 0.61 1.23 0.37 0.00 0.00 175.52 177.94 1nff h GLY 115 N 1.16 1.43 0.93 2.16 0.00 -0.90 0.17 103.07 108.02 1nff h GLY 115 Ca 0.36 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1nff h GLY 115 CO -0.12 0.21 -0.18 -2.08 0.00 0.00 0.00 176.54 174.37 1nff h VAL 116 N 0.96 1.30 -0.59 4.60 2.07 -1.50 -2.30 116.25 120.78 1nff h VAL 116 Ca 0.44 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1nff h VAL 116 Cb 0.41 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1nff h VAL 116 CO -0.20 0.42 0.25 0.15 0.02 0.00 0.00 177.57 178.20 1nff h PHE 117 N 0.40 0.89 -0.35 1.57 3.57 -0.67 -2.15 116.94 120.21 1nff h PHE 117 Ca 0.06 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1nff h PHE 117 Cb 0.72 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1nff h PHE 117 CO 0.06 0.71 0.13 -0.07 -2.23 0.00 0.00 178.31 176.91 1nff h LEU 118 N 0.82 0.44 -0.41 0.59 3.38 -0.64 -1.39 115.31 118.11 1nff h LEU 118 Ca 0.20 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1nff h LEU 118 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1nff h LEU 118 CO -0.02 0.42 -0.12 1.23 0.09 0.00 0.00 178.44 180.04 1nff h GLY 119 N 0.66 0.88 0.93 0.83 0.00 -0.94 -2.16 103.07 103.26 1nff h GLY 119 Ca 0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1nff h GLY 119 CO -0.01 0.68 0.11 -2.22 0.00 0.00 0.00 176.54 175.10 1nff h ILE 120 N 0.63 1.14 -0.87 2.60 2.04 -0.83 -2.34 117.51 119.88 1nff h ILE 120 Ca 0.10 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.66 1nff h ILE 120 Cb 0.66 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1nff h ILE 120 CO 0.05 0.14 0.52 0.03 0.00 0.00 0.00 178.15 178.88 1nff h ARG 121 N 0.25 0.86 -0.10 2.37 3.08 -1.19 -2.80 114.38 116.85 1nff h ARG 121 Ca 0.08 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1nff h ARG 121 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1nff h ARG 121 CO -0.01 0.57 -0.56 0.00 -1.07 0.00 0.00 179.97 178.90 1nff h ALA 122 N 1.46 0.86 0.00 0.04 0.00 -1.11 -3.32 119.26 117.19 1nff h ALA 122 Ca 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nff h ALA 122 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nff h ALA 122 CO -0.23 0.70 -0.71 -0.39 0.00 0.00 0.00 179.25 178.61 1nff h VAL 123 N 0.22 0.00 -0.62 0.00 -1.51 -1.18 -3.39 116.25 109.77 1nff h VAL 123 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1nff h VAL 123 Cb 1.06 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.45 1nff h VAL 123 CO 0.09 0.00 0.40 -0.37 -1.23 0.00 0.00 177.57 176.46 1nff h VAL 124 N 0.00 1.17 0.67 7.19 -1.51 -1.61 -2.79 116.25 119.37 1nff h VAL 124 Ca 0.00 -0.33 -0.03 0.00 -1.23 0.00 0.00 66.70 65.11 1nff h VAL 124 Cb 0.84 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 1nff h VAL 124 CO 0.00 0.17 -0.46 0.50 -1.23 0.00 0.00 177.57 176.55 1nff h LYS 125 N 0.85 -1.03 -0.44 5.19 3.64 -1.80 0.55 116.57 123.51 1nff h LYS 125 Ca 0.23 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1nff h LYS 125 Cb -0.07 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1nff h LYS 125 CO -0.05 -0.69 0.14 -1.00 -2.27 0.00 0.00 179.45 175.59 1nff h PRO 126 N -1.07 0.65 -0.65 1.90 0.13 -1.85 -2.06 132.00 129.04 1nff h PRO 126 Ca -0.09 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1nff h PRO 126 Cb 0.87 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 1nff h PRO 126 CO 0.06 0.56 0.26 0.52 -0.23 0.00 0.00 178.00 179.17 1nff h MET 127 N 0.64 0.97 -0.26 0.86 2.86 -1.32 -1.18 114.93 117.50 1nff h MET 127 Ca 0.15 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1nff h MET 127 Cb 0.18 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1nff h MET 127 CO -0.01 0.81 -0.24 0.87 1.06 0.00 0.00 176.91 179.41 1nff h LYS 128 N 0.91 0.48 -0.32 1.72 1.57 -0.56 -0.23 116.57 120.15 1nff h LYS 128 Ca 0.22 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1nff h LYS 128 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1nff h LYS 128 CO -0.02 0.69 -0.26 0.93 -0.57 0.00 0.00 179.45 180.23 1nff h GLU 129 N 0.43 0.63 0.00 3.15 5.08 -1.00 -2.46 114.58 120.41 1nff h GLU 129 Ca 0.06 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1nff h GLU 129 Cb 0.65 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1nff h GLU 129 CO 0.05 0.83 -0.27 0.00 -1.00 0.00 0.00 179.01 178.62 1nff h ALA 130 N 1.17 0.90 0.00 3.43 0.00 -0.83 -3.47 119.26 120.45 1nff h ALA 130 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nff h ALA 130 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1nff h ALA 130 CO 0.06 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1nff n GLY 131 N 0.67 0.51 3.57 0.00 0.00 -0.13 -5.00 105.19 104.81 1nff n GLY 131 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1nff n GLY 131 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nff s ARG 132 N -0.07 0.94 -0.19 1.61 1.70 -1.11 -4.35 118.95 117.50 1nff s ARG 132 Ca 0.00 0.62 -0.35 0.00 -0.47 0.00 0.00 55.73 55.52 1nff s ARG 132 Cb 0.00 0.45 0.15 0.00 -0.57 0.00 0.00 34.95 34.98 1nff s ARG 132 CO 0.00 -0.21 1.33 0.20 -1.08 0.00 0.00 175.30 175.54 1nff s GLY 133 N -0.41 -0.31 -0.06 3.88 0.00 -0.86 -4.77 107.32 104.79 1nff s GLY 133 Ca -0.06 1.48 -0.02 0.00 0.00 0.00 0.00 44.72 46.12 1nff s GLY 133 CO 0.05 0.45 0.10 -0.45 0.00 0.00 0.00 173.10 173.25 1nff s SER 134 N -2.38 0.89 -0.19 1.64 0.15 0.01 -1.08 113.70 112.75 1nff s SER 134 Ca 0.12 0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 1nff s SER 134 Cb 0.01 0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1nff s SER 134 CO -0.04 -0.24 -0.01 -0.63 1.20 0.00 0.00 173.24 173.52 1nff s ILE 135 N 2.12 3.92 -0.26 6.45 1.01 0.11 -1.62 121.20 132.93 1nff s ILE 135 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1nff s ILE 135 Cb -0.12 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.65 1nff s ILE 135 CO -0.04 0.45 -0.09 -0.63 0.00 0.00 0.00 174.94 174.63 1nff s ILE 136 N 0.80 2.39 -0.21 2.92 1.01 0.86 -1.27 121.20 127.69 1nff s ILE 136 Ca -0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.06 1nff s ILE 136 Cb -0.14 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1nff s ILE 136 CO 0.02 0.02 0.17 0.20 0.00 0.00 0.00 174.94 175.35 1nff s ASN 137 N 1.17 6.22 -0.53 3.58 0.01 0.10 -0.76 114.94 124.72 1nff s ASN 137 Ca -0.06 0.24 -0.23 0.00 -0.71 0.00 0.00 52.86 52.09 1nff s ASN 137 Cb -0.19 -2.11 0.04 0.00 0.41 0.00 0.00 41.25 39.40 1nff s ASN 137 CO -0.05 0.12 0.87 -0.63 -1.51 0.00 0.00 177.10 175.90 1nff s ILE 138 N 0.63 4.50 0.00 0.60 -1.09 -0.91 -0.63 121.20 124.30 1nff s ILE 138 Ca 0.09 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1nff s ILE 138 Cb -0.12 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1nff s ILE 138 CO 0.01 -1.02 0.00 -0.24 -1.23 0.00 0.00 174.94 172.46 1nff n SER 139 N 7.15 0.00 -3.65 3.58 2.88 0.94 -4.93 113.62 119.59 1nff n SER 139 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1nff n SER 139 Cb 0.47 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1nff n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nff s SER 140 N -0.85 -0.03 0.17 -3.46 1.04 -1.23 -4.41 113.70 104.92 1nff s SER 140 Ca 0.00 -0.29 0.21 0.00 0.48 0.00 0.00 55.95 56.36 1nff s SER 140 Cb 0.00 0.25 0.88 0.00 0.10 0.00 0.00 66.02 67.25 1nff s SER 140 CO 0.00 -0.48 1.66 2.30 0.98 0.00 0.00 173.24 177.69 1nff n ILE 141 N -0.68 0.83 1.20 -1.02 -5.35 -1.01 -0.39 119.36 112.93 1nff n ILE 141 Ca -0.03 0.19 0.11 0.00 -0.27 0.00 0.00 62.75 62.75 1nff n ILE 141 Cb 0.60 -1.05 0.61 0.00 -1.74 0.00 0.00 39.64 38.06 1nff n ILE 141 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nff n GLU 142 N -2.01 0.47 -0.17 6.28 4.71 -1.26 -1.09 120.64 127.57 1nff n GLU 142 Ca 0.03 0.05 0.11 0.00 -0.01 0.00 0.00 57.16 57.34 1nff n GLU 142 Cb 0.23 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 29.36 1nff n GLU 142 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nff n GLY 143 N 0.53 1.64 0.00 0.62 0.00 0.47 -4.26 105.19 104.20 1nff n GLY 143 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1nff n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nff n LEU 144 N 1.42 0.00 -3.90 0.99 4.77 -0.25 -4.41 117.00 115.62 1nff n LEU 144 Ca 0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1nff n LEU 144 Cb 0.59 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1nff n LEU 144 CO 0.15 0.01 0.19 0.00 -1.33 0.00 0.00 177.39 176.41 1nff s ALA 145 N -2.07 -0.47 0.62 -1.18 0.00 -0.88 -5.14 121.76 112.65 1nff s ALA 145 Ca -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1nff s ALA 145 Cb 0.01 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1nff s ALA 145 CO 0.05 -0.81 0.89 0.20 0.00 0.00 0.00 175.76 176.09 1nff s GLY 146 N -2.96 1.75 -0.12 0.00 0.00 -1.26 -4.43 107.32 100.30 1nff s GLY 146 Ca 0.16 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1nff s GLY 146 CO 0.03 -0.77 0.31 -1.59 0.00 0.00 0.00 173.10 171.08 1nff s THR 147 N -2.99 -0.01 0.43 0.90 2.01 -1.26 -5.05 115.64 109.66 1nff s THR 147 Ca 0.58 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 1nff s THR 147 Cb -0.11 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 1nff s THR 147 CO 0.42 0.02 1.42 0.52 -0.69 0.00 0.00 174.62 176.30 1nff n VAL 148 N 3.42 2.57 -2.74 3.82 0.31 -1.26 -2.61 118.33 121.84 1nff n VAL 148 Ca -0.17 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.48 1nff n VAL 148 Cb 0.56 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1nff n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nff n ALA 149 N -0.06 -0.85 -2.67 3.52 0.00 -1.26 -4.85 120.51 114.34 1nff n ALA 149 Ca 0.05 0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.55 1nff n ALA 149 Cb 0.40 -2.32 0.04 0.00 0.00 0.00 0.00 19.45 17.57 1nff n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nff h HIS 151 N 2.69 0.25 -0.41 0.00 -0.00 -1.80 -0.35 115.15 115.52 1nff h HIS 151 Ca -0.04 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.14 1nff h HIS 151 Cb 1.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 1nff h HIS 151 CO 0.56 0.48 -0.30 0.78 -0.00 0.00 0.00 177.93 179.45 1nff h GLY 152 N -0.06 0.99 0.83 2.45 0.00 -1.93 -0.46 103.07 104.88 1nff h GLY 152 Ca 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.39 1nff h GLY 152 CO 0.01 0.84 -0.04 -1.82 0.00 0.00 0.00 176.54 175.53 1nff h TYR 153 N 0.77 0.47 -0.15 5.60 3.20 -1.80 -1.47 116.97 123.58 1nff h TYR 153 Ca 0.08 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1nff h TYR 153 Cb 0.87 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1nff h TYR 153 CO 0.05 0.64 0.08 1.15 -1.64 0.00 0.00 178.16 178.44 1nff h THR 154 N 0.16 1.10 -0.34 1.81 2.02 -1.03 -0.87 112.91 115.77 1nff h THR 154 Ca 0.06 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1nff h THR 154 Cb 0.48 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1nff h THR 154 CO 0.02 0.10 0.09 0.00 0.37 0.00 0.00 175.52 176.10 1nff h ALA 155 N 0.97 0.38 -0.32 6.16 0.00 -1.02 -1.02 119.26 124.41 1nff h ALA 155 Ca 0.05 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1nff h ALA 155 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nff h ALA 155 CO -0.01 -0.31 -0.37 1.79 0.00 0.00 0.00 179.25 180.36 1nff h THR 156 N 0.22 1.29 -0.06 0.00 1.35 -1.15 -0.79 112.91 113.76 1nff h THR 156 Ca 0.16 -1.53 -0.10 0.00 -0.55 0.00 0.00 66.41 64.38 1nff h THR 156 Cb 0.15 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1nff h THR 156 CO -0.18 0.50 -0.43 0.11 -0.25 0.00 0.00 175.52 175.26 1nff h LYS 157 N 0.60 0.14 -0.20 4.72 1.79 -0.90 0.24 116.57 122.96 1nff h LYS 157 Ca 0.06 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 1nff h LYS 157 Cb 0.90 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1nff h LYS 157 CO 0.08 0.55 -0.52 0.74 -1.08 0.00 0.00 179.45 179.23 1nff h PHE 158 N 0.12 0.91 -0.67 -1.35 -1.00 -1.06 -2.61 116.94 111.28 1nff h PHE 158 Ca 0.01 -0.35 0.01 0.00 2.81 0.00 0.00 57.97 60.45 1nff h PHE 158 Cb 0.82 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 1nff h PHE 158 CO 0.01 1.15 0.44 0.00 -1.61 0.00 0.00 178.31 178.30 1nff h ALA 159 N 0.60 0.85 -0.83 2.45 0.00 -0.75 -1.26 119.26 120.32 1nff h ALA 159 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nff h ALA 159 Cb 1.13 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1nff h ALA 159 CO 0.11 0.27 0.44 0.28 0.00 0.00 0.00 179.25 180.35 1nff h VAL 160 N 0.90 1.25 -0.61 0.00 2.07 -0.95 0.86 116.25 119.76 1nff h VAL 160 Ca 0.25 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1nff h VAL 160 Cb -0.09 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1nff h VAL 160 CO -0.06 0.28 0.37 -0.09 0.02 0.00 0.00 177.57 178.09 1nff h ARG 161 N 1.17 0.71 -0.11 1.57 2.43 -0.92 -1.37 114.38 117.85 1nff h ARG 161 Ca 0.29 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1nff h ARG 161 Cb 0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1nff h ARG 161 CO -0.04 0.47 -0.23 0.78 -1.51 0.00 0.00 179.97 179.43 1nff h GLY 162 N 0.73 0.39 1.35 2.80 0.00 -0.58 -3.16 103.07 104.60 1nff h GLY 162 Ca 0.24 -0.47 0.08 0.00 0.00 0.00 0.00 47.33 47.18 1nff h GLY 162 CO -0.10 0.42 0.27 -2.00 0.00 0.00 0.00 176.54 175.12 1nff h LEU 163 N -0.07 0.16 -0.88 3.11 5.85 -0.71 -0.14 115.31 122.64 1nff h LEU 163 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1nff h LEU 163 Cb 0.83 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1nff h LEU 163 CO 0.05 0.10 0.57 0.74 -0.34 0.00 0.00 178.44 179.56 1nff h THR 164 N 0.18 1.23 -0.05 1.05 2.02 -1.21 -1.65 112.91 114.48 1nff h THR 164 Ca 0.18 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 1nff h THR 164 Cb 0.46 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1nff h THR 164 CO -0.03 0.23 -0.21 0.11 0.37 0.00 0.00 175.52 175.99 1nff h LYS 165 N 1.19 0.23 -0.49 6.66 1.57 -1.08 -1.32 116.57 123.34 1nff h LYS 165 Ca 0.32 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1nff h LYS 165 Cb -0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1nff h LYS 165 CO -0.07 0.82 0.31 0.66 -0.57 0.00 0.00 179.45 180.60 1nff h SER 166 N -0.30 0.58 0.19 0.86 4.64 -1.37 -1.33 113.55 116.82 1nff h SER 166 Ca -0.01 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 1nff h SER 166 Cb 0.85 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1nff h SER 166 CO 0.04 0.45 -0.44 0.71 -0.87 0.00 0.00 176.83 176.72 1nff h THR 167 N 0.66 1.32 -0.47 2.95 1.35 -1.37 -2.60 112.91 114.75 1nff h THR 167 Ca 0.18 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 1nff h THR 167 Cb -0.04 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1nff h THR 167 CO -0.04 0.48 0.25 0.00 -0.25 0.00 0.00 175.52 175.96 1nff h ALA 168 N 1.28 0.60 -0.51 6.62 0.00 -0.75 0.21 119.26 126.71 1nff h ALA 168 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1nff h ALA 168 Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nff h ALA 168 CO 0.07 0.13 0.22 -0.07 0.00 0.00 0.00 179.25 179.60 1nff h LEU 169 N 0.61 0.70 -0.48 0.00 3.38 -1.13 -0.90 115.31 117.48 1nff h LEU 169 Ca 0.16 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1nff h LEU 169 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1nff h LEU 169 CO -0.02 0.66 -0.45 -0.08 0.09 0.00 0.00 178.44 178.64 1nff h GLU 170 N 0.68 0.76 0.00 1.13 4.81 -1.24 -3.30 114.58 117.42 1nff h GLU 170 Ca 0.17 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1nff h GLU 170 Cb 0.18 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1nff h GLU 170 CO -0.02 1.05 -0.60 -0.07 -0.73 0.00 0.00 179.01 178.64 1nff h LEU 171 N 0.61 0.00 -0.73 1.64 3.38 -0.89 -3.39 115.31 115.93 1nff h LEU 171 Ca 0.04 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1nff h LEU 171 Cb 1.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 1nff h LEU 171 CO 0.10 0.04 0.22 1.23 0.09 0.00 0.00 178.44 180.12 1nff h GLY 172 N 4.23 1.05 1.95 0.83 0.00 -1.13 -0.40 103.07 109.59 1nff h GLY 172 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1nff h GLY 172 CO 0.00 -0.16 0.02 -2.55 0.00 0.00 0.00 176.54 173.85 1nff h PRO 173 N 0.33 0.00 -0.19 4.80 0.11 -1.80 -0.92 132.00 134.33 1nff h PRO 173 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1nff h PRO 173 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1nff h PRO 173 CO -0.46 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.76 1nff n SER 174 N -3.35 2.23 0.00 -2.05 7.64 -0.18 -4.93 113.62 112.98 1nff n SER 174 Ca -0.03 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.07 1nff n SER 174 Cb 0.10 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1nff n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nff n GLY 175 N 1.25 0.60 3.41 0.23 0.00 -0.35 -4.10 105.19 106.23 1nff n GLY 175 Ca 0.17 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1nff n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nff s ILE 176 N -2.00 3.85 0.08 -0.61 1.01 -1.09 -2.02 121.20 120.42 1nff s ILE 176 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1nff s ILE 176 Cb 0.00 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1nff s ILE 176 CO 0.00 0.41 0.32 -0.13 0.00 0.00 0.00 174.94 175.54 1nff s ARG 177 N 1.25 3.58 -0.06 2.79 0.52 -0.24 -3.24 118.95 123.55 1nff s ARG 177 Ca 0.03 -0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.10 1nff s ARG 177 Cb -0.15 -2.96 0.03 0.00 0.52 0.00 0.00 34.95 32.39 1nff s ARG 177 CO 0.01 0.55 0.01 0.08 0.02 0.00 0.00 175.30 175.97 1nff s VAL 178 N -1.51 0.28 0.11 3.52 1.01 -1.26 0.05 120.40 122.60 1nff s VAL 178 Ca 0.36 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1nff s VAL 178 Cb -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1nff s VAL 178 CO 0.22 0.23 -0.06 0.20 0.00 0.00 0.00 175.10 175.69 1nff s ASN 179 N 1.82 1.23 0.02 3.32 0.01 -0.40 0.11 114.94 121.05 1nff s ASN 179 Ca 0.02 -1.03 0.08 0.00 -0.71 0.00 0.00 52.86 51.22 1nff s ASN 179 Cb -0.12 0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 1nff s ASN 179 CO -0.04 -0.46 -0.24 -0.94 -1.51 0.00 0.00 177.10 173.91 1nff s SER 180 N -3.08 3.31 -0.12 -1.22 1.04 -0.50 -0.72 113.70 112.42 1nff s SER 180 Ca 0.14 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 1nff s SER 180 Cb 0.05 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1nff s SER 180 CO -0.03 0.28 -0.01 -0.63 0.98 0.00 0.00 173.24 173.84 1nff s ILE 181 N -0.76 4.23 -0.51 -1.02 1.01 0.19 -0.63 121.20 123.71 1nff s ILE 181 Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1nff s ILE 181 Cb -0.10 -2.81 0.14 0.00 0.01 0.00 0.00 42.46 39.70 1nff s ILE 181 CO 0.02 0.56 0.29 -1.00 0.00 0.00 0.00 174.94 174.80 1nff s HIS 182 N -0.38 2.65 0.52 3.97 3.76 0.25 -0.04 115.29 126.03 1nff s HIS 182 Ca 0.07 -2.86 -0.05 0.00 -0.15 0.00 0.00 55.06 52.08 1nff s HIS 182 Cb -0.12 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.22 1nff s HIS 182 CO 0.02 -0.73 0.82 -1.25 -0.85 0.00 0.00 174.74 172.75 1nff s PRO 183 N -0.20 3.25 0.00 8.40 0.04 -1.26 -1.96 135.00 143.26 1nff s PRO 183 Ca 0.19 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1nff s PRO 183 Cb -0.20 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1nff s PRO 183 CO -0.03 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1nff n GLY 184 N -2.38 1.43 3.68 0.56 0.00 -0.77 -2.41 105.19 105.30 1nff n GLY 184 Ca 0.02 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1nff n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nff s LEU 185 N 0.00 4.31 -0.04 0.99 2.96 -1.26 -4.93 118.68 120.72 1nff s LEU 185 Ca 0.00 2.14 0.07 0.00 -0.22 0.00 0.00 54.13 56.12 1nff s LEU 185 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1nff s LEU 185 CO 0.00 -0.76 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.33 1nff s VAL 186 N 2.64 2.09 -0.70 1.68 1.01 -1.26 -1.01 120.40 124.86 1nff s VAL 186 Ca 0.65 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1nff s VAL 186 Cb -0.32 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1nff s VAL 186 CO 0.27 0.58 1.74 -0.54 0.00 0.00 0.00 175.10 177.15 1nff s LYS 187 N -0.43 2.77 0.23 2.72 1.02 -0.68 -4.68 119.74 120.68 1nff s LYS 187 Ca 0.05 0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.20 1nff s LYS 187 Cb -0.12 -4.49 -0.02 0.00 -0.52 0.00 0.00 37.83 32.69 1nff s LYS 187 CO 0.01 -2.69 0.33 0.95 -0.92 0.00 0.00 175.35 173.03 1nff s THR 188 N 8.39 0.00 0.29 2.17 -4.23 -1.26 -4.53 115.64 116.48 1nff s THR 188 Ca 0.60 -1.67 0.37 0.00 -1.18 0.00 0.00 61.69 59.81 1nff s THR 188 Cb -0.10 -2.34 0.38 0.00 1.34 0.00 0.00 72.50 71.78 1nff s THR 188 CO 0.15 0.00 2.11 1.55 -0.54 0.00 0.00 174.62 177.89 1nff h PRO 189 N 2.41 0.00 -0.02 3.99 0.13 -1.98 -2.23 132.00 134.29 1nff h PRO 189 Ca -0.30 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.72 1nff h PRO 189 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1nff h PRO 189 CO 0.43 0.00 -0.46 1.98 -0.23 0.00 0.00 178.00 179.72 1nff h MET 190 N 0.00 0.06 0.00 0.86 4.05 -1.96 -3.27 114.93 114.67 1nff h MET 190 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1nff h MET 190 Cb 0.16 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1nff h MET 190 CO 0.00 0.51 -0.26 0.25 0.23 0.00 0.00 176.91 177.64 1nff n THR 191 N -3.98 1.73 0.29 -0.77 -2.24 -0.92 -4.76 114.28 103.63 1nff n THR 191 Ca -0.02 -2.33 0.14 0.00 -2.27 0.00 0.00 64.05 59.58 1nff n THR 191 Cb 0.49 -0.11 0.87 0.00 -2.10 0.00 0.00 70.33 69.48 1nff n THR 191 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nff h ASP 192 N 0.38 0.00 0.54 3.42 3.04 -1.47 -0.13 116.42 122.20 1nff h ASP 192 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1nff h ASP 192 Cb 1.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 1nff h ASP 192 CO 0.01 0.03 -0.25 -2.67 -2.04 0.00 0.00 179.24 174.32 1nff n TRP 193 N -3.80 0.00 -3.29 4.15 4.27 -1.26 -4.85 117.44 112.66 1nff n TRP 193 Ca -0.03 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.20 1nff n TRP 193 Cb 0.12 -0.27 -0.06 0.00 -1.36 0.00 0.00 31.31 29.74 1nff n TRP 193 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1nff s VAL 194 N -2.79 5.10 0.26 -1.67 1.01 -0.06 -5.03 120.40 117.22 1nff s VAL 194 Ca 0.18 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1nff s VAL 194 Cb 0.19 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1nff s VAL 194 CO 0.58 0.37 1.54 -2.16 0.00 0.00 0.00 175.10 175.42 1nff s PRO 195 N 0.29 4.18 0.61 2.72 0.04 -1.26 -4.87 135.00 136.72 1nff s PRO 195 Ca 0.28 2.46 0.32 0.00 0.04 0.00 0.00 61.00 64.09 1nff s PRO 195 Cb -0.16 -3.07 1.81 0.00 0.04 0.00 0.00 34.50 33.12 1nff s PRO 195 CO 0.13 -0.56 2.15 0.93 0.04 0.00 0.00 177.00 179.68 1nff h GLU 196 N 5.20 0.00 -0.69 4.56 5.08 -1.96 -1.85 114.58 124.91 1nff h GLU 196 Ca -0.46 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.62 1nff h GLU 196 Cb 1.22 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.30 1nff h GLU 196 CO 0.81 0.00 0.29 -0.40 -1.00 0.00 0.00 179.01 178.71 1nff n ASP 197 N -3.57 3.91 -0.20 1.42 5.75 -1.26 -3.94 116.55 118.66 1nff n ASP 197 Ca -0.00 -3.44 0.03 0.00 -0.01 0.00 0.00 54.79 51.36 1nff n ASP 197 Cb 0.26 -0.73 0.28 0.00 -1.03 0.00 0.00 41.12 39.90 1nff n ASP 197 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1nff h ILE 198 N 1.72 1.13 -3.04 2.12 2.10 -1.71 -3.42 117.51 116.41 1nff h ILE 198 Ca 0.35 -0.32 -0.58 0.00 1.08 0.00 0.00 64.86 65.39 1nff h ILE 198 Cb 2.28 0.13 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 1nff h ILE 198 CO 0.73 0.17 -0.37 -0.36 -1.08 0.00 0.00 178.15 177.24 1nff s PHE 199 N -5.79 3.49 -0.29 2.19 0.40 -1.26 -5.05 117.98 111.67 1nff s PHE 199 Ca -0.10 0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 56.39 1nff s PHE 199 Cb 0.18 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.81 1nff s PHE 199 CO 0.78 0.47 0.99 -0.65 0.70 0.00 0.00 175.22 177.50 1nff s GLN 200 N -2.72 4.10 0.13 0.44 -0.21 -1.26 -4.98 119.66 115.15 1nff s GLN 200 Ca 0.39 1.02 0.09 0.00 0.02 0.00 0.00 55.36 56.88 1nff s GLN 200 Cb -0.12 -3.71 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 1nff s GLN 200 CO 0.26 -0.77 -0.21 0.95 -2.12 0.00 0.00 175.29 173.41 1nff s THR 201 N 3.34 1.80 0.22 -0.19 -4.23 -1.26 -3.95 115.64 111.38 1nff s THR 201 Ca 0.42 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.33 1nff s THR 201 Cb -0.13 -1.70 -0.08 0.00 1.34 0.00 0.00 72.50 71.93 1nff s THR 201 CO 0.12 -0.13 1.51 0.00 -0.54 0.00 0.00 174.62 175.58 1nff h ALA 202 N 3.77 0.78 0.00 3.99 0.00 -0.94 -3.14 119.26 123.73 1nff h ALA 202 Ca -0.45 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1nff h ALA 202 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nff h ALA 202 CO 0.43 0.92 -0.30 1.28 0.00 0.00 0.00 179.25 181.58 1nff n LEU 203 N -3.66 0.40 -2.90 0.00 4.77 -1.06 -4.97 117.00 109.57 1nff n LEU 203 Ca -0.01 0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1nff n LEU 203 Cb 0.72 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1nff n LEU 203 CO 0.44 0.02 0.15 0.61 -1.33 0.00 0.00 177.39 177.27 1nff n GLY 204 N 1.45 -0.29 3.62 -0.72 0.00 -1.19 -5.00 105.19 103.06 1nff n GLY 204 Ca 0.06 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1nff n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nff s ARG 205 N -5.92 0.84 0.63 1.61 1.70 -1.26 -5.07 118.95 111.48 1nff s ARG 205 Ca 0.42 -0.39 -0.05 0.00 -0.47 0.00 0.00 55.73 55.23 1nff s ARG 205 Cb -0.18 0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.56 1nff s ARG 205 CO 0.52 -0.38 0.93 0.00 -1.08 0.00 0.00 175.30 175.29 1nff s ALA 206 N -3.01 3.33 0.26 7.88 0.00 -1.25 -4.94 121.76 124.03 1nff s ALA 206 Ca 0.09 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1nff s ALA 206 Cb -0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1nff s ALA 206 CO -0.04 -0.99 0.55 0.00 0.00 0.00 0.00 175.76 175.29 1nff s ALA 207 N -3.06 3.59 0.03 0.00 0.00 -0.18 -4.95 121.76 117.19 1nff s ALA 207 Ca 0.57 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 1nff s ALA 207 Cb -0.11 -2.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.59 1nff s ALA 207 CO 0.44 0.36 0.43 -1.21 0.00 0.00 0.00 175.76 175.78 1nff s GLU 208 N -3.22 3.93 0.38 0.00 0.41 -1.26 -1.69 118.70 117.25 1nff s GLU 208 Ca 0.46 0.42 0.15 0.00 -0.41 0.00 0.00 54.97 55.59 1nff s GLU 208 Cb -0.11 -3.18 1.02 0.00 -1.78 0.00 0.00 34.13 30.08 1nff s GLU 208 CO 0.26 0.66 1.79 -1.00 -0.49 0.00 0.00 175.26 176.48 1nff h PRO 209 N 4.50 0.46 0.00 0.39 0.13 -1.95 -0.03 132.00 135.50 1nff h PRO 209 Ca -0.51 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1nff h PRO 209 Cb 1.21 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1nff h PRO 209 CO 0.62 0.31 -0.04 -0.24 -0.23 0.00 0.00 178.00 178.42 1nff h VAL 210 N 0.48 0.75 0.00 1.56 3.04 -1.94 0.19 116.25 120.33 1nff h VAL 210 Ca 0.57 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 66.07 1nff h VAL 210 Cb 1.31 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 1nff h VAL 210 CO -0.30 0.04 -0.19 -0.33 -1.01 0.00 0.00 177.57 175.78 1nff h GLU 211 N 0.00 0.00 0.10 4.17 5.08 -1.39 0.32 114.58 122.85 1nff h GLU 211 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1nff h GLU 211 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1nff h GLU 211 CO 0.01 0.19 -1.77 0.28 -1.00 0.00 0.00 179.01 176.71 1nff h VAL 212 N 0.00 0.85 -0.29 3.13 2.07 -1.09 -3.34 116.25 117.58 1nff h VAL 212 Ca -0.00 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.92 1nff h VAL 212 Cb 0.48 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1nff h VAL 212 CO 0.02 0.77 0.07 0.28 0.02 0.00 0.00 177.57 178.74 1nff h SER 213 N 0.05 0.37 -0.31 0.57 0.02 -0.65 -1.31 113.55 112.30 1nff h SER 213 Ca -0.33 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1nff h SER 213 Cb 2.03 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.46 1nff h SER 213 CO 0.11 0.38 0.17 0.78 -1.14 0.00 0.00 176.83 177.13 1nff h ASN 214 N 0.41 0.42 0.27 3.07 2.35 -1.07 -0.45 115.58 120.57 1nff h ASN 214 Ca 0.10 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.60 1nff h ASN 214 Cb 0.16 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1nff h ASN 214 CO -0.00 0.36 -0.90 0.25 -1.65 0.00 0.00 177.43 175.48 1nff h LEU 215 N 0.48 0.58 -0.46 1.61 5.85 -1.40 -2.57 115.31 119.39 1nff h LEU 215 Ca 0.12 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1nff h LEU 215 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1nff h LEU 215 CO -0.02 1.23 0.25 0.58 -0.34 0.00 0.00 178.44 180.14 1nff h VAL 216 N 0.27 1.16 -0.52 1.05 2.07 -0.63 -1.36 116.25 118.30 1nff h VAL 216 Ca -0.07 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1nff h VAL 216 Cb 1.53 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1nff h VAL 216 CO 0.16 0.17 0.33 0.58 0.02 0.00 0.00 177.57 178.83 1nff h VAL 217 N 0.60 1.09 -0.03 2.57 2.07 -1.09 0.19 116.25 121.65 1nff h VAL 217 Ca 0.16 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1nff h VAL 217 Cb 0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1nff h VAL 217 CO -0.03 0.12 -0.05 0.22 0.02 0.00 0.00 177.57 177.86 1nff h TYR 218 N 0.66 -0.12 -0.01 1.57 3.20 -1.09 -0.50 116.97 120.69 1nff h TYR 218 Ca 0.20 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1nff h TYR 218 Cb -0.02 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1nff h TYR 218 CO -0.05 -0.08 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.91 1nff h LEU 219 N -0.07 0.02 -0.54 2.82 3.38 -0.96 -2.79 115.31 117.17 1nff h LEU 219 Ca 0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1nff h LEU 219 Cb 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1nff h LEU 219 CO -0.07 0.42 -0.73 0.00 0.09 0.00 0.00 178.44 178.15 1nff h ALA 220 N 1.58 0.79 -2.47 1.53 0.00 -0.28 -3.46 119.26 116.94 1nff h ALA 220 Ca -0.00 -0.66 -0.48 0.00 0.00 0.00 0.00 54.91 53.77 1nff h ALA 220 Cb 0.73 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.51 1nff h ALA 220 CO 0.05 0.90 0.35 -1.54 0.00 0.00 0.00 179.25 179.02 1nff s SER 221 N -6.82 4.42 0.00 0.00 1.04 -0.23 -4.85 113.70 107.27 1nff s SER 221 Ca -0.01 1.11 0.32 0.00 0.48 0.00 0.00 55.95 57.85 1nff s SER 221 Cb 0.12 -1.78 1.88 0.00 0.10 0.00 0.00 66.02 66.34 1nff s SER 221 CO 0.78 -1.99 2.22 0.47 0.98 0.00 0.00 173.24 175.70 1nff n ASP 222 N -3.42 0.02 -0.04 7.02 8.00 -1.26 -3.41 116.55 123.46 1nff n ASP 222 Ca 0.07 -0.98 -0.01 0.00 0.71 0.00 0.00 54.79 54.58 1nff n ASP 222 Cb 0.58 -0.01 0.26 0.00 -0.02 0.00 0.00 41.12 41.93 1nff n ASP 222 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nff h GLU 223 N 0.03 0.62 -0.97 -1.24 5.08 -1.93 -2.37 114.58 113.81 1nff h GLU 223 Ca 0.00 -0.13 -0.25 0.00 -1.00 0.00 0.00 59.36 57.98 1nff h GLU 223 Cb 0.02 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.03 1nff h GLU 223 CO 0.00 0.62 0.32 -1.13 -1.00 0.00 0.00 179.01 177.81 1nff n SER 224 N -4.28 3.45 0.25 1.42 3.41 -1.22 -4.65 113.62 112.01 1nff n SER 224 Ca 0.02 -2.84 0.17 0.00 -0.26 0.00 0.00 58.87 55.95 1nff n SER 224 Cb 0.24 -0.68 0.77 0.00 -0.26 0.00 0.00 64.21 64.29 1nff n SER 224 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nff h SER 225 N 0.79 0.00 -0.43 4.04 4.64 -1.65 -1.43 113.55 119.50 1nff h SER 225 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1nff h SER 225 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1nff h SER 225 CO 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 1nff n TYR 226 N -3.16 0.62 -3.93 4.77 9.36 -1.26 -4.92 117.16 118.64 1nff n TYR 226 Ca 0.01 -0.52 -0.35 0.00 3.32 0.00 0.00 57.90 60.35 1nff n TYR 226 Cb 0.48 -0.04 -0.12 0.00 -0.63 0.00 0.00 39.34 39.02 1nff n TYR 226 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1nff s SER 227 N -1.05 5.12 -0.14 2.98 0.01 -0.54 -5.08 113.70 115.01 1nff s SER 227 Ca 0.30 -0.15 -0.24 0.00 1.31 0.00 0.00 55.95 57.18 1nff s SER 227 Cb 0.16 -1.90 0.06 0.00 0.21 0.00 0.00 66.02 64.56 1nff s SER 227 CO 0.19 0.04 0.60 0.28 0.41 0.00 0.00 173.24 174.76 1nff s THR 228 N 1.14 0.01 -0.13 1.44 -1.32 -1.26 -4.73 115.64 110.78 1nff s THR 228 Ca 0.04 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1nff s THR 228 Cb -0.14 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1nff s THR 228 CO 0.03 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1nff n GLY 229 N 1.94 0.44 3.87 6.08 0.00 0.30 -4.95 105.19 112.88 1nff n GLY 229 Ca -0.17 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1nff n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nff s ALA 230 N -1.78 3.72 -0.23 4.61 0.00 -1.26 -4.63 121.76 122.19 1nff s ALA 230 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1nff s ALA 230 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1nff s ALA 230 CO 0.00 0.37 0.23 -1.21 0.00 0.00 0.00 175.76 175.15 1nff s GLU 231 N -3.56 4.09 -0.31 0.00 2.02 -1.26 -1.40 118.70 118.28 1nff s GLU 231 Ca 0.33 -0.14 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 1nff s GLU 231 Cb -0.09 -3.55 0.05 0.00 0.10 0.00 0.00 34.13 30.64 1nff s GLU 231 CO 0.26 0.01 0.02 -0.06 0.02 0.00 0.00 175.26 175.52 1nff s PHE 232 N 1.19 3.25 -0.14 1.61 0.40 0.20 -4.99 117.98 119.50 1nff s PHE 232 Ca 0.11 -1.73 -0.17 0.00 -0.60 0.00 0.00 56.93 54.54 1nff s PHE 232 Cb -0.14 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1nff s PHE 232 CO 0.06 -0.78 0.42 0.08 0.70 0.00 0.00 175.22 175.70 1nff s VAL 233 N 1.30 5.22 -0.48 -0.44 1.01 -1.26 -0.58 120.40 125.16 1nff s VAL 233 Ca -0.04 0.83 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1nff s VAL 233 Cb -0.20 -3.76 0.18 0.00 0.00 0.00 0.00 36.38 32.60 1nff s VAL 233 CO -0.00 0.33 0.41 0.55 0.00 0.00 0.00 175.10 176.39 1nff n VAL 234 N 3.72 -0.42 -1.33 2.92 3.14 -0.83 -4.93 118.33 120.61 1nff n VAL 234 Ca -0.08 -3.86 0.04 0.00 -2.96 0.00 0.00 64.34 57.48 1nff n VAL 234 Cb 0.52 -1.81 0.05 0.00 -1.06 0.00 0.00 33.84 31.54 1nff n VAL 234 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1nff n ASP 235 N 2.45 1.11 -0.41 6.55 5.75 -1.26 -1.85 116.55 128.87 1nff n ASP 235 Ca 0.27 -2.31 -0.05 0.00 -0.01 0.00 0.00 54.79 52.69 1nff n ASP 235 Cb 0.45 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 1nff n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nff n GLY 236 N -0.60 0.62 0.26 6.12 0.00 -1.26 -2.96 105.19 107.37 1nff n GLY 236 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1nff n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nff n GLY 237 N -0.35 0.70 0.36 -0.02 0.00 -1.26 -0.35 105.19 104.27 1nff n GLY 237 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1nff n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nff h THR 238 N 0.00 0.28 0.00 2.61 2.02 -1.66 -2.38 112.91 113.79 1nff h THR 238 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nff h THR 238 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1nff h THR 238 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.22 1nff n VAL 239 N -5.43 0.76 0.54 3.16 0.24 -1.26 -2.37 118.33 113.97 1nff n VAL 239 Ca -0.07 0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 1nff n VAL 239 Cb 0.34 -0.88 0.42 0.00 -1.47 0.00 0.00 33.84 32.25 1nff n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nff h ALA 240 N 2.62 1.00 -2.07 2.33 0.00 -1.84 -3.46 119.26 117.85 1nff h ALA 240 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1nff h ALA 240 Cb 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 1nff h ALA 240 CO 0.00 0.00 -0.72 0.20 0.00 0.00 0.00 179.25 178.73 1nff s GLY 241 N -3.62 2.05 0.23 0.00 0.00 -1.00 -5.13 107.32 99.85 1nff s GLY 241 Ca 0.09 -1.99 -0.22 0.00 0.00 0.00 0.00 44.72 42.60 1nff s GLY 241 CO 0.55 -2.00 0.77 1.08 0.00 0.00 0.00 173.10 173.51 1nff s LEU 242 N -3.56 4.39 -0.39 0.66 1.43 -1.26 -4.99 118.68 114.95 1nff s LEU 242 Ca 0.31 1.53 -0.28 0.00 -1.03 0.00 0.00 54.13 54.66 1nff s LEU 242 Cb -0.01 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1nff s LEU 242 CO 0.16 0.05 1.65 0.00 0.23 0.00 0.00 176.35 178.43 1nff s ALA 243 N -1.47 2.88 0.17 4.21 0.00 -1.26 -4.99 121.76 121.29 1nff s ALA 243 Ca 0.43 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1nff s ALA 243 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 1nff s ALA 243 CO 0.22 -2.65 0.12 -1.01 0.00 0.00 0.00 175.76 172.44 1nff s HIS 244 N 6.49 3.10 -2.70 0.00 3.76 -1.26 -5.26 115.29 119.41 1nff s HIS 244 Ca 0.71 -0.04 0.26 0.00 -0.15 0.00 0.00 55.06 55.85 1nff s HIS 244 Cb -0.18 -1.49 0.70 0.00 1.11 0.00 0.00 32.58 32.72 1nff s HIS 244 CO 0.32 0.52 1.55 0.09 -0.85 0.00 0.00 174.74 176.37