#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 6.08 0.15 0.46 0.00 -1.26 -4.41 105.19 106.21 1nff n GLY 3 Ca 0.00 -2.73 0.11 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.54 0.14 -0.05 1.61 1.74 -1.16 -2.09 116.66 116.31 1nff n ARG 4 Ca 0.41 0.59 0.02 0.00 -0.77 0.00 0.00 57.85 58.11 1nff n ARG 4 Cb 0.71 -1.92 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.21 1.62 -4.72 0.55 4.77 0.14 -4.67 117.00 112.47 1nff n LEU 5 Ca -0.01 -1.85 -0.43 0.00 -0.03 0.00 0.00 56.01 53.69 1nff n LEU 5 Cb 0.07 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1nff n LEU 5 CO 0.11 0.45 1.24 0.35 -1.33 0.00 0.00 177.39 178.20 1nff n THR 6 N -0.60 0.70 0.00 -5.08 -2.24 -0.89 -1.28 114.28 104.89 1nff n THR 6 Ca 0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1nff n THR 6 Cb 0.41 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1nff n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nff n GLY 7 N 2.67 2.28 3.84 3.38 0.00 -1.25 -4.98 105.19 111.13 1nff n GLY 7 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.75 3.99 -0.11 1.61 -0.14 -0.40 -5.01 119.74 118.92 1nff s LYS 8 Ca 0.00 0.49 0.02 0.00 -1.36 0.00 0.00 55.97 55.13 1nff s LYS 8 Cb 0.00 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.14 1nff s LYS 8 CO 0.00 0.52 -0.19 0.08 -0.76 0.00 0.00 175.35 175.00 1nff s VAL 9 N -1.38 2.53 0.15 3.17 1.01 -1.26 -1.86 120.40 122.76 1nff s VAL 9 Ca 0.35 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1nff s VAL 9 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1nff s VAL 9 CO 0.19 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.66 1nff s ALA 10 N 0.29 1.83 -0.12 5.51 0.00 -0.11 -0.88 121.76 128.27 1nff s ALA 10 Ca -0.14 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.42 1nff s ALA 10 Cb -0.17 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1nff s ALA 10 CO 0.07 0.19 -0.16 -1.17 0.00 0.00 0.00 175.76 174.69 1nff s LEU 11 N -2.58 1.79 -0.15 0.00 2.96 0.29 -0.58 118.68 120.40 1nff s LEU 11 Ca 0.13 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1nff s LEU 11 Cb -0.05 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.47 1nff s LEU 11 CO 0.05 0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.20 1nff s VAL 12 N 1.06 1.98 0.23 1.68 1.01 -0.19 -0.91 120.40 125.26 1nff s VAL 12 Ca -0.04 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1nff s VAL 12 Cb -0.15 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 1nff s VAL 12 CO -0.04 0.53 0.62 -0.94 0.00 0.00 0.00 175.10 175.28 1nff s SER 13 N 1.05 6.78 -1.28 3.32 1.04 -0.84 -1.12 113.70 122.65 1nff s SER 13 Ca -0.02 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.49 1nff s SER 13 Cb -0.14 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.67 1nff s SER 13 CO -0.07 -0.05 0.70 0.61 0.98 0.00 0.00 173.24 175.42 1nff n GLY 14 N 0.17 -0.34 0.89 7.32 0.00 0.69 -2.44 105.19 111.48 1nff n GLY 14 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.55 1.26 0.21 -0.02 0.00 -0.93 -3.97 105.19 100.18 1nff n GLY 15 Ca -0.06 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 3.69 0.95 -2.66 4.61 0.00 -1.88 -3.15 119.26 120.82 1nff h ALA 16 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1nff h ALA 16 Cb 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1nff h ALA 16 CO 0.05 0.11 0.19 2.89 0.00 0.00 0.00 179.25 182.48 1nff n ARG 17 N -3.13 0.76 0.00 0.00 1.85 -1.26 -4.51 116.66 110.37 1nff n ARG 17 Ca 0.03 -1.48 0.00 0.00 -1.00 0.00 0.00 57.85 55.40 1nff n ARG 17 Cb 0.54 1.85 0.00 0.00 -1.05 0.00 0.00 32.46 33.80 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 -0.36 2.00 0.33 2.89 0.00 -1.26 -1.90 105.19 106.89 1nff n GLY 18 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 0.98 -0.39 1.61 2.86 -1.92 -2.35 114.93 115.71 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 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 1nff h MET 19 CO 0.00 0.76 0.09 0.78 1.06 0.00 0.00 176.91 179.60 1nff h GLY 20 N 1.04 0.47 1.30 8.32 0.00 -1.64 0.25 103.07 112.81 1nff h GLY 20 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1nff h GLY 20 CO -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 176.54 176.59 1nff h ALA 21 N 1.29 1.14 -0.64 3.60 0.00 -1.13 -1.78 119.26 121.75 1nff h ALA 21 Ca 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1nff h ALA 21 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1nff h ALA 21 CO -0.24 0.57 0.18 1.03 0.00 0.00 0.00 179.25 180.79 1nff h SER 22 N 0.83 0.95 -0.64 0.00 0.87 -0.74 -1.93 113.55 112.89 1nff h SER 22 Ca 0.18 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1nff h SER 22 Cb 0.34 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1nff h SER 22 CO 0.00 0.93 0.24 0.45 -0.53 0.00 0.00 176.83 177.92 1nff h HIS 23 N 0.93 0.99 -0.05 2.24 3.86 -0.07 0.15 115.15 123.20 1nff h HIS 23 Ca 0.20 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1nff h HIS 23 Cb 0.33 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1nff h HIS 23 CO 0.02 0.79 0.03 0.28 0.86 0.00 0.00 177.93 179.91 1nff h VAL 24 N 0.91 1.07 -0.42 2.45 2.07 -1.14 -0.88 116.25 120.32 1nff h VAL 24 Ca 0.21 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1nff h VAL 24 Cb 0.23 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1nff h VAL 24 CO -0.01 0.06 0.24 0.03 0.02 0.00 0.00 177.57 177.91 1nff h ARG 25 N -0.01 0.57 -0.62 1.57 3.08 -1.19 -1.04 114.38 116.75 1nff h ARG 25 Ca 0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1nff h ARG 25 Cb 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1nff h ARG 25 CO -0.00 0.43 0.41 0.00 -1.07 0.00 0.00 179.97 179.74 1nff h ALA 26 N 1.10 0.79 -0.17 0.04 0.00 -0.82 -0.83 119.26 119.38 1nff h ALA 26 Ca 0.15 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1nff h ALA 26 Cb 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nff h ALA 26 CO -0.03 0.20 -0.59 0.52 0.00 0.00 0.00 179.25 179.36 1nff h MET 27 N 0.83 0.55 -0.58 0.00 2.86 -1.01 -2.71 114.93 114.87 1nff h MET 27 Ca 0.23 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1nff h MET 27 Cb -0.08 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1nff h MET 27 CO -0.06 0.98 0.13 0.28 1.06 0.00 0.00 176.91 179.30 1nff h VAL 28 N 0.41 1.24 0.00 -2.22 2.07 -0.93 -1.16 116.25 115.66 1nff h VAL 28 Ca -0.00 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1nff h VAL 28 Cb 1.14 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1nff h VAL 28 CO 0.11 0.33 -0.18 0.00 0.02 0.00 0.00 177.57 177.85 1nff h ALA 29 N 1.28 1.50 -0.42 1.67 0.00 -0.97 -1.94 119.26 120.37 1nff h ALA 29 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nff h ALA 29 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nff h ALA 29 CO 0.00 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.87 1nff n GLU 30 N -4.03 2.61 -0.35 0.00 -0.58 -0.64 -4.79 120.64 112.86 1nff n GLU 30 Ca -0.02 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.94 1nff n GLU 30 Cb 0.26 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 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 0.90 0.79 3.88 0.62 0.00 -0.73 -0.68 105.19 109.97 1nff n GLY 31 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.18 3.43 -0.20 4.61 0.00 -0.53 -3.82 121.76 123.07 1nff s ALA 32 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1nff s ALA 32 Cb 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1nff s ALA 32 CO 0.00 0.07 0.13 0.15 0.00 0.00 0.00 175.76 176.11 1nff s LYS 33 N -3.74 4.16 -0.07 0.00 -0.14 -0.77 -4.29 119.74 114.89 1nff s LYS 33 Ca 0.49 -0.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.90 1nff s LYS 33 Cb -0.10 -3.42 0.01 0.00 -1.68 0.00 0.00 37.83 32.63 1nff s LYS 33 CO 0.31 0.27 -0.15 0.08 -0.76 0.00 0.00 175.35 175.09 1nff s VAL 34 N 0.44 1.36 -0.21 3.17 1.01 0.08 -0.94 120.40 125.32 1nff s VAL 34 Ca 0.08 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1nff s VAL 34 Cb -0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1nff s VAL 34 CO -0.01 0.40 0.05 -0.69 0.00 0.00 0.00 175.10 174.85 1nff s VAL 35 N 0.50 4.45 -0.02 2.92 1.01 0.25 -0.77 120.40 128.74 1nff s VAL 35 Ca -0.14 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1nff s VAL 35 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1nff s VAL 35 CO 0.05 0.41 -0.13 0.72 0.00 0.00 0.00 175.10 176.14 1nff s PHE 36 N 0.90 1.26 0.23 5.22 -0.12 -0.23 -1.02 117.98 124.22 1nff s PHE 36 Ca 0.03 -0.28 0.10 0.00 -0.05 0.00 0.00 56.93 56.73 1nff s PHE 36 Cb -0.14 -0.84 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 1nff s PHE 36 CO 0.02 -0.07 -0.19 0.20 -0.05 0.00 0.00 175.22 175.14 1nff s GLY 37 N -0.13 1.67 0.11 1.99 0.00 -0.28 -1.59 107.32 109.09 1nff s GLY 37 Ca 0.02 -1.73 -0.13 0.00 0.00 0.00 0.00 44.72 42.88 1nff s GLY 37 CO 0.00 -1.80 0.61 1.34 0.00 0.00 0.00 173.10 173.24 1nff n ASP 38 N -0.28 -1.03 -0.01 1.64 -0.08 -1.12 -0.22 116.55 115.45 1nff n ASP 38 Ca -0.08 -1.54 0.05 0.00 -1.51 0.00 0.00 54.79 51.70 1nff n ASP 38 Cb 0.59 1.67 -0.05 0.00 2.34 0.00 0.00 41.12 45.67 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 -0.43 0.00 -2.94 5.18 -5.35 -1.26 -0.42 119.36 114.15 1nff n ILE 39 Ca -0.01 -0.28 -0.44 0.00 -0.27 0.00 0.00 62.75 61.75 1nff n ILE 39 Cb 0.34 1.00 0.00 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 -1.19 5.64 -0.33 7.28 4.77 -1.26 -4.85 117.00 127.07 1nff n LEU 40 Ca 0.02 -4.69 -0.01 0.00 -0.03 0.00 0.00 56.01 51.30 1nff n LEU 40 Cb 0.15 -1.53 0.16 0.00 -2.33 0.00 0.00 43.42 39.87 1nff n LEU 40 CO 0.19 1.07 1.28 0.44 -1.33 0.00 0.00 177.39 179.04 1nff h ASP 41 N 6.63 1.05 0.38 -1.43 3.32 -1.98 -0.12 116.42 124.27 1nff h ASP 41 Ca 0.29 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1nff h ASP 41 Cb 0.81 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1nff h ASP 41 CO 1.27 0.75 -0.42 -0.33 -1.72 0.00 0.00 179.24 178.79 1nff h GLU 42 N 1.23 -0.78 -0.53 3.56 3.07 -2.00 0.54 114.58 119.68 1nff h GLU 42 Ca 0.35 0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1nff h GLU 42 Cb -0.10 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1nff h GLU 42 CO -0.08 -0.52 0.23 0.93 -1.40 0.00 0.00 179.01 178.17 1nff h GLU 43 N -0.81 0.75 0.13 2.33 5.08 -1.89 -2.28 114.58 117.89 1nff h GLU 43 Ca -0.05 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1nff h GLU 43 Cb 0.71 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1nff h GLU 43 CO -0.07 0.60 -0.06 0.78 -1.00 0.00 0.00 179.01 179.26 1nff h GLY 44 N 0.87 -0.18 1.67 -3.84 0.00 -0.65 -2.68 103.07 98.26 1nff h GLY 44 Ca 0.18 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1nff h GLY 44 CO -0.02 -0.07 -0.04 0.50 0.00 0.00 0.00 176.54 176.91 1nff h LYS 45 N -0.28 0.41 0.23 4.80 1.57 -0.81 -2.47 116.57 120.02 1nff h LYS 45 Ca -0.02 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1nff h LYS 45 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1nff h LYS 45 CO 0.03 0.47 -0.31 0.00 -0.57 0.00 0.00 179.45 179.07 1nff h ALA 46 N 1.57 -0.60 0.00 3.86 0.00 -1.14 -2.29 119.26 120.66 1nff h ALA 46 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nff h ALA 46 Cb 0.33 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nff h ALA 46 CO 0.01 -0.88 -0.20 0.00 0.00 0.00 0.00 179.25 178.18 1nff h MET 47 N -0.60 0.00 -0.33 0.00 -0.00 -1.39 -2.83 114.93 109.78 1nff h MET 47 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.64 1nff h MET 47 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.16 1nff h MET 47 CO -0.11 0.20 -0.08 0.00 -0.00 0.00 0.00 176.91 176.92 1nff h ALA 48 N 1.80 1.24 -0.63 -3.00 0.00 -1.07 -1.70 119.26 115.90 1nff h ALA 48 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1nff h ALA 48 Cb 0.78 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1nff h ALA 48 CO 0.03 0.50 0.16 0.00 0.00 0.00 0.00 179.25 179.93 1nff h ALA 49 N 1.40 0.83 0.00 0.00 0.00 -1.16 -2.76 119.26 117.57 1nff h ALA 49 Ca 0.10 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1nff h ALA 49 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1nff h ALA 49 CO 0.02 0.54 -0.76 1.05 0.00 0.00 0.00 179.25 180.11 1nff h GLU 50 N 0.93 0.00 0.00 0.00 4.11 -1.53 -3.02 114.58 115.06 1nff h GLU 50 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1nff h GLU 50 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1nff h GLU 50 CO 0.00 0.76 0.00 1.28 0.07 0.00 0.00 179.01 181.12 1nff n LEU 51 N -3.44 0.00 0.00 3.06 4.77 -0.66 -4.96 117.00 115.77 1nff n LEU 51 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1nff n LEU 51 Cb 0.79 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1nff n LEU 51 CO 0.44 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 1nff n ALA 52 N -1.27 0.00 1.69 -1.18 0.00 -1.05 -2.16 120.51 116.54 1nff n ALA 52 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1nff n ALA 52 Cb 0.20 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.17 1nff n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nff n ASP 53 N 1.84 0.00 0.08 0.00 8.00 -1.26 -3.25 116.55 121.96 1nff n ASP 53 Ca 0.00 -1.15 0.08 0.00 0.71 0.00 0.00 54.79 54.43 1nff n ASP 53 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1nff n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nff n ALA 54 N -0.82 2.34 -2.99 2.24 0.00 -0.92 -4.94 120.51 115.42 1nff n ALA 54 Ca 0.13 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 1nff n ALA 54 Cb 0.06 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -3.23 0.07 -0.03 0.00 0.00 -1.20 -0.74 121.76 116.63 1nff s ALA 55 Ca -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1nff s ALA 55 Cb 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1nff s ALA 55 CO 0.80 -0.17 -0.18 1.03 0.00 0.00 0.00 175.76 177.24 1nff s ARG 56 N -1.46 1.68 -0.08 0.00 1.81 0.05 -4.71 118.95 116.24 1nff s ARG 56 Ca -0.16 -0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 53.17 1nff s ARG 56 Cb -0.10 -1.52 -0.04 0.00 -0.45 0.00 0.00 34.95 32.85 1nff s ARG 56 CO -0.01 0.32 0.08 -0.47 -0.68 0.00 0.00 175.30 174.54 1nff s TYR 57 N -0.18 3.39 0.01 -0.53 5.04 -1.26 -1.07 117.35 122.76 1nff s TYR 57 Ca 0.01 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1nff s TYR 57 Cb -0.10 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 1nff s TYR 57 CO 0.01 0.61 -0.03 0.14 -1.34 0.00 0.00 175.55 174.94 1nff s VAL 58 N -1.03 0.15 0.04 3.14 -7.23 -0.62 -4.95 120.40 109.90 1nff s VAL 58 Ca 0.16 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 1nff s VAL 58 Cb -0.12 -0.22 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 1nff s VAL 58 CO 0.06 -0.25 1.19 -2.28 -0.31 0.00 0.00 175.10 173.51 1nff s HIS 59 N -0.80 3.40 -0.21 2.82 2.46 -1.26 -2.79 115.29 118.90 1nff s HIS 59 Ca -0.08 1.30 -0.04 0.00 0.47 0.00 0.00 55.06 56.72 1nff s HIS 59 Cb -0.06 -3.41 0.10 0.00 -0.13 0.00 0.00 32.58 29.09 1nff s HIS 59 CO -0.00 -1.23 0.25 -1.17 -2.47 0.00 0.00 174.74 170.12 1nff s LEU 60 N 1.27 -0.20 -0.44 8.88 2.96 0.44 -4.80 118.68 126.80 1nff s LEU 60 Ca 0.58 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.12 1nff s LEU 60 Cb -0.28 0.51 0.03 0.00 0.50 0.00 0.00 46.19 46.94 1nff s LEU 60 CO 0.28 -0.33 0.55 -0.62 -1.32 0.00 0.00 176.35 174.92 1nff s ASP 61 N 2.36 6.26 0.00 3.68 -1.08 -1.26 -3.70 116.67 122.93 1nff s ASP 61 Ca 0.08 -0.53 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 1nff s ASP 61 Cb -0.16 -2.28 0.05 0.00 -1.46 0.00 0.00 42.92 39.08 1nff s ASP 61 CO -0.14 -0.70 1.01 1.33 0.52 0.00 0.00 175.17 177.19 1nff n VAL 62 N 5.66 1.82 1.31 1.11 0.24 -1.26 -1.29 118.33 125.91 1nff n VAL 62 Ca -0.04 0.45 0.14 0.00 -2.04 0.00 0.00 64.34 62.85 1nff n VAL 62 Cb 0.47 -1.43 0.51 0.00 -1.47 0.00 0.00 33.84 31.92 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 -1.47 0.00 -3.83 3.34 -2.24 -1.26 -4.19 114.28 104.62 1nff n THR 63 Ca 0.00 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 1nff n THR 63 Cb 0.01 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.54 2.75 0.36 -0.78 -0.21 -0.41 -4.98 119.66 113.86 1nff s GLN 64 Ca 0.25 -1.07 0.07 0.00 0.02 0.00 0.00 55.36 54.64 1nff s GLN 64 Cb 0.20 -3.28 0.78 0.00 1.00 0.00 0.00 33.01 31.71 1nff s GLN 64 CO 0.51 -0.54 1.93 -1.00 -2.12 0.00 0.00 175.29 174.07 1nff h PRO 65 N 8.13 0.70 -0.53 2.91 0.13 -1.86 -2.18 132.00 139.31 1nff h PRO 65 Ca -0.27 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 1nff h PRO 65 Cb 1.09 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1nff h PRO 65 CO 0.58 0.46 0.10 0.00 -0.23 0.00 0.00 178.00 178.91 1nff h ALA 66 N 1.60 1.19 -0.09 -0.56 0.00 -1.95 -1.75 119.26 117.71 1nff h ALA 66 Ca 0.35 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1nff h ALA 66 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nff h ALA 66 CO -0.13 0.55 -0.57 1.96 0.00 0.00 0.00 179.25 181.06 1nff h GLN 67 N 0.79 0.27 -0.40 0.00 4.20 -1.72 -1.92 115.11 116.34 1nff h GLN 67 Ca 0.17 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1nff h GLN 67 Cb 0.33 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1nff h GLN 67 CO 0.00 0.76 0.11 -1.49 -0.67 0.00 0.00 178.83 177.54 1nff h TRP 68 N 0.20 0.66 -0.85 2.96 4.06 -1.14 -1.68 115.95 120.16 1nff h TRP 68 Ca -0.00 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1nff h TRP 68 Cb 1.06 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.99 1nff h TRP 68 CO 0.02 0.62 0.48 -0.22 -3.56 0.00 0.00 178.44 175.78 1nff h LYS 69 N 0.50 1.17 -0.66 0.49 3.64 -1.13 -1.18 116.57 119.40 1nff h LYS 69 Ca 0.13 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1nff h LYS 69 Cb 0.29 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1nff h LYS 69 CO -0.00 0.85 0.14 0.00 -2.27 0.00 0.00 179.45 178.16 1nff h ALA 70 N 1.34 0.99 -0.60 5.00 0.00 -1.09 -0.30 119.26 124.60 1nff h ALA 70 Ca 0.30 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1nff h ALA 70 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1nff h ALA 70 CO -0.05 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 1nff h ALA 71 N 1.13 0.83 -0.28 0.00 0.00 -0.69 -0.85 119.26 119.40 1nff h ALA 71 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1nff h ALA 71 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1nff h ALA 71 CO 0.01 0.67 -0.07 0.28 0.00 0.00 0.00 179.25 180.14 1nff h VAL 72 N 0.97 1.28 -0.64 0.00 2.07 -0.97 -1.99 116.25 116.97 1nff h VAL 72 Ca 0.17 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1nff h VAL 72 Cb 0.58 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1nff h VAL 72 CO 0.03 0.35 0.42 0.44 0.02 0.00 0.00 177.57 178.84 1nff h ASP 73 N 0.31 0.71 -0.29 0.57 3.32 -0.90 -0.93 116.42 119.21 1nff h ASP 73 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1nff h ASP 73 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1nff h ASP 73 CO 0.03 0.51 0.13 0.74 -1.72 0.00 0.00 179.24 178.93 1nff h THR 74 N 0.83 1.16 -0.34 0.35 2.02 -0.87 -0.44 112.91 115.62 1nff h THR 74 Ca 0.24 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1nff h THR 74 Cb -0.05 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1nff h THR 74 CO -0.06 0.16 0.18 0.00 0.37 0.00 0.00 175.52 176.18 1nff h ALA 75 N 0.99 0.43 -0.36 6.16 0.00 -0.59 -0.19 119.26 125.70 1nff h ALA 75 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nff h ALA 75 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nff h ALA 75 CO -0.01 -0.04 -0.01 0.28 0.00 0.00 0.00 179.25 179.47 1nff h VAL 76 N 0.42 1.26 -0.30 0.00 2.07 -1.10 0.00 116.25 118.60 1nff h VAL 76 Ca 0.12 -1.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1nff h VAL 76 Cb 0.06 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1nff h VAL 76 CO -0.02 0.33 -0.34 0.71 0.02 0.00 0.00 177.57 178.27 1nff h THR 77 N 0.45 1.29 0.08 2.57 1.35 -1.01 0.22 112.91 117.86 1nff h THR 77 Ca 0.10 -1.52 -0.26 0.00 -0.55 0.00 0.00 66.41 64.18 1nff h THR 77 Cb 0.47 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1nff h THR 77 CO 0.02 0.49 -1.12 0.00 -0.25 0.00 0.00 175.52 174.67 1nff h ALA 78 N 0.71 0.20 -0.00 6.62 0.00 -1.05 -3.38 119.26 122.35 1nff h ALA 78 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1nff h ALA 78 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nff h ALA 78 CO 0.08 0.86 -0.00 1.19 0.00 0.00 0.00 179.25 181.38 1nff n PHE 79 N -3.66 0.00 -0.64 0.00 0.99 -0.02 -5.03 117.46 109.11 1nff n PHE 79 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 1nff n PHE 79 Cb 0.94 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.42 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 0.18 0.81 0.00 1.37 0.00 0.77 -4.97 105.19 103.36 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 -2.02 -1.79 3.09 -0.02 0.00 -1.21 -4.94 105.19 98.29 1nff n GLY 81 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.41 -0.00 0.99 2.96 -1.26 -3.97 118.68 116.99 1nff s LEU 82 Ca 0.00 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 1nff s LEU 82 Cb 0.00 0.90 -0.00 0.00 0.50 0.00 0.00 46.19 47.59 1nff s LEU 82 CO 0.00 -0.24 0.00 1.41 -1.32 0.00 0.00 176.35 176.20 1nff n HIS 83 N 5.36 0.00 -4.16 5.38 8.25 -0.06 -4.07 115.22 125.92 1nff n HIS 83 Ca -0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.22 1nff n HIS 83 Cb 0.50 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.61 0.45 -0.08 1.59 1.01 -0.57 -0.52 120.40 120.67 1nff s VAL 84 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1nff s VAL 84 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1nff s VAL 84 CO 0.00 0.16 -0.14 -0.22 0.00 0.00 0.00 175.10 174.90 1nff s LEU 85 N 0.27 1.69 -0.37 3.92 2.96 -0.43 -0.55 118.68 126.17 1nff s LEU 85 Ca -0.03 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1nff s LEU 85 Cb -0.07 -0.94 0.10 0.00 0.50 0.00 0.00 46.19 45.78 1nff s LEU 85 CO -0.00 0.04 0.11 -0.69 -1.32 0.00 0.00 176.35 174.49 1nff s VAL 86 N 0.71 2.73 -1.23 1.68 1.01 -0.09 -0.02 120.40 125.19 1nff s VAL 86 Ca -0.13 -2.19 -0.19 0.00 0.00 0.00 0.00 61.98 59.46 1nff s VAL 86 Cb -0.16 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.35 1nff s VAL 86 CO 0.03 -0.62 1.68 0.20 0.00 0.00 0.00 175.10 176.39 1nff s ASN 87 N 1.32 6.71 -0.10 3.32 0.01 0.25 -1.98 114.94 124.46 1nff s ASN 87 Ca 0.09 -2.20 0.17 0.00 -0.71 0.00 0.00 52.86 50.21 1nff s ASN 87 Cb -0.21 -2.58 -0.25 0.00 0.41 0.00 0.00 41.25 38.63 1nff s ASN 87 CO -0.06 -1.31 0.22 -3.20 -1.51 0.00 0.00 177.10 171.25 1nff n ASN 88 N 8.70 0.79 -4.67 -1.22 2.85 -1.24 -1.84 115.26 118.64 1nff n ASN 88 Ca 0.45 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.48 1nff n ASN 88 Cb 0.47 1.36 -0.02 0.00 1.24 0.00 0.00 39.78 42.83 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 -2.40 0.93 -3.58 5.20 0.00 -1.02 -4.84 120.51 114.79 1nff n ALA 89 Ca -0.16 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 1nff n ALA 89 Cb 0.78 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.04 -0.34 0.19 0.00 0.00 -1.26 -4.74 107.32 101.13 1nff s GLY 90 Ca 0.63 1.32 0.05 0.00 0.00 0.00 0.00 44.72 46.71 1nff s GLY 90 CO 0.55 0.42 -0.07 -0.26 0.00 0.00 0.00 173.10 173.75 1nff s ILE 91 N -2.61 1.25 -0.09 0.90 -4.36 -1.26 -5.04 121.20 109.99 1nff s ILE 91 Ca 0.09 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1nff s ILE 91 Cb -0.00 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.66 1nff s ILE 91 CO -0.05 -0.56 -0.09 -0.22 0.24 0.00 0.00 174.94 174.26 1nff s LEU 92 N -3.25 1.34 0.07 0.37 2.96 -1.26 -4.94 118.68 113.97 1nff s LEU 92 Ca 0.22 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1nff s LEU 92 Cb 0.03 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1nff s LEU 92 CO 0.05 -0.06 -0.07 0.54 -1.32 0.00 0.00 176.35 175.48 1nff s ASN 93 N 1.31 0.97 0.23 3.68 2.20 -1.26 -5.15 114.94 116.93 1nff s ASN 93 Ca -0.03 -0.81 0.00 0.00 -0.94 0.00 0.00 52.86 51.09 1nff s ASN 93 Cb -0.14 0.08 -0.05 0.00 -2.00 0.00 0.00 41.25 39.14 1nff s ASN 93 CO -0.04 -0.36 0.11 0.27 -2.94 0.00 0.00 177.10 174.14 1nff s ILE 94 N -2.69 0.32 0.00 0.54 -4.36 -1.26 -4.59 121.20 109.16 1nff s ILE 94 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1nff s ILE 94 Cb -0.01 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1nff s ILE 94 CO -0.03 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1nff n GLY 95 N -0.38 3.79 3.74 6.27 0.00 -0.05 -4.84 105.19 113.72 1nff n GLY 95 Ca 0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.75 2.67 0.29 2.61 -4.23 -1.26 -4.12 115.64 109.85 1nff s THR 96 Ca 0.00 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 1nff s THR 96 Cb 0.00 -2.79 0.29 0.00 1.34 0.00 0.00 72.50 71.34 1nff s THR 96 CO 0.00 -0.28 1.80 0.40 -0.54 0.00 0.00 174.62 175.99 1nff h ILE 97 N -1.46 0.79 -0.04 2.99 2.04 -1.96 0.97 117.51 120.85 1nff h ILE 97 Ca -0.49 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 1nff h ILE 97 Cb 1.29 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1nff h ILE 97 CO 0.57 0.15 -0.46 -0.33 0.00 0.00 0.00 178.15 178.08 1nff h GLU 98 N 0.85 0.38 0.00 2.37 3.07 -2.05 -3.36 114.58 115.84 1nff h GLU 98 Ca 0.54 -0.36 -0.13 0.00 -0.50 0.00 0.00 59.36 58.91 1nff h GLU 98 Cb 0.72 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1nff h GLU 98 CO -0.34 1.01 -0.91 -0.44 -1.40 0.00 0.00 179.01 176.94 1nff h ASP 99 N -0.12 0.00 -2.29 1.42 3.45 -1.86 -3.46 116.42 113.56 1nff h ASP 99 Ca -0.04 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.86 1nff h ASP 99 Cb 1.14 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.93 1nff h ASP 99 CO 0.09 0.53 1.17 0.00 -1.57 0.00 0.00 179.24 179.47 1nff n TYR 100 N -3.07 2.48 -2.44 4.55 9.36 0.31 -4.87 117.16 123.48 1nff n TYR 100 Ca -0.03 -0.23 -0.41 0.00 3.32 0.00 0.00 57.90 60.55 1nff n TYR 100 Cb 0.78 -2.75 -0.04 0.00 -0.63 0.00 0.00 39.34 36.70 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 4.01 3.41 0.47 2.98 0.00 -1.26 -4.93 121.76 126.43 1nff s ALA 101 Ca 0.89 0.91 0.12 0.00 0.00 0.00 0.00 51.96 53.88 1nff s ALA 101 Cb -0.52 -3.36 1.08 0.00 0.00 0.00 0.00 23.12 20.32 1nff s ALA 101 CO 0.44 -0.24 2.10 -0.07 0.00 0.00 0.00 175.76 177.98 1nff h LEU 102 N 4.44 0.23 -1.12 0.00 3.38 -1.99 -0.62 115.31 119.63 1nff h LEU 102 Ca -0.46 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1nff h LEU 102 Cb 1.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1nff h LEU 102 CO 0.70 0.16 -0.10 0.71 0.09 0.00 0.00 178.44 180.00 1nff h THR 103 N 0.27 1.22 -0.37 0.22 1.35 -1.99 -0.70 112.91 112.91 1nff h THR 103 Ca 0.09 -0.97 -0.16 0.00 -0.55 0.00 0.00 66.41 64.82 1nff h THR 103 Cb 0.03 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1nff h THR 103 CO -0.02 0.32 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.83 1nff h GLU 104 N 0.46 0.93 -0.10 4.72 4.39 -1.52 -0.42 114.58 123.04 1nff h GLU 104 Ca 0.09 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 1nff h GLU 104 Cb 0.46 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1nff h GLU 104 CO 0.03 1.16 0.06 2.35 -1.16 0.00 0.00 179.01 181.44 1nff h TRP 105 N 0.75 0.14 -0.70 4.33 2.91 -0.99 -1.46 115.95 120.94 1nff h TRP 105 Ca 0.06 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 1nff h TRP 105 Cb 1.00 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.57 1nff h TRP 105 CO 0.06 0.17 0.35 1.96 -1.03 0.00 0.00 178.44 179.95 1nff h GLN 106 N 0.08 1.00 -0.64 2.65 1.08 -1.06 -2.06 115.11 116.16 1nff h GLN 106 Ca 0.04 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1nff h GLN 106 Cb 0.07 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1nff h GLN 106 CO -0.01 0.78 0.15 -0.09 -0.95 0.00 0.00 178.83 178.72 1nff h ARG 107 N 0.97 1.02 -0.05 1.46 9.65 -0.89 -1.29 114.38 125.25 1nff h ARG 107 Ca 0.24 -0.25 -0.13 0.00 -1.10 0.00 0.00 59.98 58.74 1nff h ARG 107 Cb 0.10 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1nff h ARG 107 CO -0.03 0.92 -0.58 0.97 2.80 0.00 0.00 179.97 184.05 1nff h ILE 108 N 0.94 1.39 -0.46 1.20 2.10 -1.14 -1.43 117.51 120.11 1nff h ILE 108 Ca 0.20 -1.94 -0.08 0.00 1.08 0.00 0.00 64.86 64.12 1nff h ILE 108 Cb 0.36 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 38.07 1nff h ILE 108 CO 0.00 0.57 -0.01 -0.07 -1.08 0.00 0.00 178.15 177.56 1nff h LEU 109 N 0.12 0.80 -0.12 2.19 4.07 -1.14 -0.12 115.31 121.12 1nff h LEU 109 Ca -0.00 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1nff h LEU 109 Cb 1.05 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1nff h LEU 109 CO 0.08 0.92 0.07 0.44 -1.08 0.00 0.00 178.44 178.88 1nff h ASP 110 N 0.66 0.14 0.09 -0.43 3.32 -0.93 -0.50 116.42 118.77 1nff h ASP 110 Ca 0.13 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1nff h ASP 110 Cb 0.52 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1nff h ASP 110 CO 0.03 0.13 -0.04 0.58 -1.72 0.00 0.00 179.24 178.21 1nff h VAL 111 N 0.14 0.53 0.00 -1.35 2.07 -1.23 0.73 116.25 117.14 1nff h VAL 111 Ca 0.04 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 1nff h VAL 111 Cb 0.01 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1nff h VAL 111 CO -0.01 0.17 -0.46 0.78 0.02 0.00 0.00 177.57 178.07 1nff h ASN 112 N -0.99 0.00 0.00 0.57 4.21 -1.15 -3.09 115.58 115.13 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 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1nff h ASN 112 CO 0.02 0.46 -0.33 -0.11 -1.29 0.00 0.00 177.43 176.18 1nff n LEU 113 N -3.74 1.02 -0.35 1.61 7.94 -0.84 -4.40 117.00 118.23 1nff n LEU 113 Ca -0.01 0.16 0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1nff n LEU 113 Cb 0.52 -0.44 0.16 0.00 0.53 0.00 0.00 43.42 44.19 1nff n LEU 113 CO 0.39 -0.51 1.28 0.74 -1.11 0.00 0.00 177.39 178.18 1nff h THR 114 N -0.33 1.17 -0.94 1.96 2.02 -1.09 -1.87 112.91 113.83 1nff h THR 114 Ca 0.00 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1nff h THR 114 Cb 0.33 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.53 1nff h THR 114 CO 0.00 0.22 0.61 1.23 0.37 0.00 0.00 175.52 177.96 1nff h GLY 115 N 1.23 1.36 0.97 2.16 0.00 -0.75 0.14 103.07 108.17 1nff h GLY 115 Ca 0.38 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1nff h GLY 115 CO -0.12 0.38 -0.10 -2.08 0.00 0.00 0.00 176.54 174.63 1nff h VAL 116 N 1.16 1.28 -0.67 4.60 2.07 -1.50 -2.02 116.25 121.17 1nff h VAL 116 Ca 0.38 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1nff h VAL 116 Cb 0.05 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1nff h VAL 116 CO -0.12 0.39 0.19 0.15 0.02 0.00 0.00 177.57 178.20 1nff h PHE 117 N 0.55 1.09 -0.67 1.57 3.57 -0.65 -2.19 116.94 120.21 1nff h PHE 117 Ca 0.10 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1nff h PHE 117 Cb 0.62 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1nff h PHE 117 CO 0.05 0.89 0.33 -0.07 -2.23 0.00 0.00 178.31 177.28 1nff h LEU 118 N 0.98 0.85 -0.45 0.59 3.38 -0.63 -1.17 115.31 118.86 1nff h LEU 118 Ca 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nff h LEU 118 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1nff h LEU 118 CO -0.00 0.72 0.20 1.23 0.09 0.00 0.00 178.44 180.68 1nff h GLY 119 N 1.02 0.70 0.97 0.83 0.00 -0.91 -1.45 103.07 104.22 1nff h GLY 119 Ca 0.23 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.21 1nff h GLY 119 CO -0.03 0.34 0.17 -2.22 0.00 0.00 0.00 176.54 174.81 1nff h ILE 120 N 0.58 1.05 -0.62 2.60 2.04 -0.85 -2.66 117.51 119.66 1nff h ILE 120 Ca 0.15 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1nff h ILE 120 Cb 0.14 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1nff h ILE 120 CO -0.02 0.07 0.33 0.03 0.00 0.00 0.00 178.15 178.56 1nff h ARG 121 N 0.36 0.60 0.00 2.37 3.08 -1.00 -2.75 114.38 117.04 1nff h ARG 121 Ca 0.11 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1nff h ARG 121 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1nff h ARG 121 CO -0.04 0.40 -0.23 0.00 -1.07 0.00 0.00 179.97 179.03 1nff h ALA 122 N 1.33 1.55 -0.00 0.04 0.00 -0.96 -3.23 119.26 117.98 1nff h ALA 122 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nff h ALA 122 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nff h ALA 122 CO -0.18 0.29 -0.91 1.33 0.00 0.00 0.00 179.25 179.78 1nff n VAL 123 N -4.16 0.00 -0.21 0.00 0.24 -1.03 -4.52 118.33 108.66 1nff n VAL 123 Ca -0.02 -0.01 -0.02 0.00 -2.04 0.00 0.00 64.34 62.25 1nff n VAL 123 Cb 0.29 0.91 0.09 0.00 -1.47 0.00 0.00 33.84 33.67 1nff n VAL 123 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1nff h VAL 124 N 0.13 0.89 0.63 3.34 -1.51 -1.51 -2.44 116.25 115.78 1nff h VAL 124 Ca 0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 66.70 65.26 1nff h VAL 124 Cb 0.51 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1nff h VAL 124 CO 0.00 0.10 -0.43 0.50 -1.23 0.00 0.00 177.57 176.51 1nff h LYS 125 N 0.54 -0.98 -0.45 5.19 3.64 -1.80 0.52 116.57 123.24 1nff h LYS 125 Ca 0.29 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1nff h LYS 125 Cb 0.25 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1nff h LYS 125 CO -0.22 -0.65 0.30 -1.00 -2.27 0.00 0.00 179.45 175.61 1nff h PRO 126 N -1.01 0.51 -0.17 1.90 0.13 -1.84 -1.26 132.00 130.24 1nff h PRO 126 Ca -0.08 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 1nff h PRO 126 Cb 0.82 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1nff h PRO 126 CO 0.06 0.34 -0.25 0.52 -0.23 0.00 0.00 178.00 178.43 1nff h MET 127 N 0.52 0.48 -0.37 0.86 2.86 -1.30 -2.12 114.93 115.87 1nff h MET 127 Ca 0.18 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1nff h MET 127 Cb 0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1nff h MET 127 CO -0.04 0.87 0.00 0.87 1.06 0.00 0.00 176.91 179.67 1nff h LYS 128 N 0.12 0.58 -0.45 1.72 1.57 -0.58 0.52 116.57 120.05 1nff h LYS 128 Ca 0.02 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1nff h LYS 128 Cb 0.82 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1nff h LYS 128 CO 0.06 0.60 0.04 0.93 -0.57 0.00 0.00 179.45 180.51 1nff h GLU 129 N 0.55 0.71 0.00 3.15 5.08 -1.16 -1.82 114.58 121.09 1nff h GLU 129 Ca 0.12 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nff h GLU 129 Cb 0.35 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nff h GLU 129 CO 0.01 0.69 -0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1nff h ALA 130 N 1.37 1.00 0.00 3.43 0.00 -0.61 -3.47 119.26 120.98 1nff h ALA 130 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nff h ALA 130 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nff h ALA 130 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1nff n GLY 131 N 0.97 0.50 3.40 0.00 0.00 0.09 -4.98 105.19 105.18 1nff n GLY 131 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1nff n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nff s ARG 132 N -0.21 1.22 0.00 1.61 3.52 -1.09 -4.32 118.95 119.68 1nff s ARG 132 Ca 0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1nff s ARG 132 Cb 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 1nff s ARG 132 CO 0.00 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.39 1nff n GLY 133 N -0.30 1.92 2.72 8.12 0.00 -1.06 -4.61 105.19 111.98 1nff n GLY 133 Ca -0.15 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1nff n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nff s SER 134 N 0.00 1.53 -0.20 1.61 0.15 0.33 -0.79 113.70 116.34 1nff s SER 134 Ca 0.00 -0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 1nff s SER 134 Cb 0.00 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 1nff s SER 134 CO 0.00 -0.23 -0.02 -0.63 1.20 0.00 0.00 173.24 173.55 1nff s ILE 135 N 2.06 3.75 -0.27 6.45 1.01 0.73 -1.31 121.20 133.62 1nff s ILE 135 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1nff s ILE 135 Cb -0.13 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1nff s ILE 135 CO -0.05 0.44 -0.05 -0.63 0.00 0.00 0.00 174.94 174.65 1nff s ILE 136 N 1.02 2.72 -0.21 2.92 1.01 0.97 -1.36 121.20 128.26 1nff s ILE 136 Ca 0.01 -1.31 -0.10 0.00 0.00 0.00 0.00 60.65 59.25 1nff s ILE 136 Cb -0.14 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1nff s ILE 136 CO 0.01 0.04 0.14 0.20 0.00 0.00 0.00 174.94 175.33 1nff s ASN 137 N 1.24 6.19 -0.57 3.58 0.01 -0.22 -0.58 114.94 124.59 1nff s ASN 137 Ca -0.04 0.21 -0.22 0.00 -0.71 0.00 0.00 52.86 52.09 1nff s ASN 137 Cb -0.19 -2.09 0.05 0.00 0.41 0.00 0.00 41.25 39.43 1nff s ASN 137 CO -0.04 0.15 0.87 -0.63 -1.51 0.00 0.00 177.10 175.95 1nff s ILE 138 N 0.51 4.49 0.00 0.60 -1.09 -0.77 -0.98 121.20 123.96 1nff s ILE 138 Ca 0.08 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1nff s ILE 138 Cb -0.12 -4.52 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 1nff s ILE 138 CO -0.01 -1.14 0.00 -0.24 -1.23 0.00 0.00 174.94 172.33 1nff n SER 139 N 7.21 0.00 -3.82 3.58 2.88 0.39 -4.93 113.62 118.92 1nff n SER 139 Ca -0.02 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.56 1nff n SER 139 Cb 0.46 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.96 -0.00 0.24 -3.46 1.04 -1.23 -4.44 113.70 104.89 1nff s SER 140 Ca 0.00 -0.07 0.23 0.00 0.48 0.00 0.00 55.95 56.58 1nff s SER 140 Cb 0.00 0.06 0.96 0.00 0.10 0.00 0.00 66.02 67.14 1nff s SER 140 CO 0.00 -0.12 1.69 2.30 0.98 0.00 0.00 173.24 178.09 1nff n ILE 141 N -0.80 0.85 1.63 -1.02 -5.35 -0.97 -0.40 119.36 113.29 1nff n ILE 141 Ca 0.00 0.25 0.13 0.00 -0.27 0.00 0.00 62.75 62.86 1nff n ILE 141 Cb 0.60 -1.17 0.77 0.00 -1.74 0.00 0.00 39.64 38.10 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 -2.19 0.81 -0.12 6.28 4.71 -1.26 -1.06 120.64 127.81 1nff n GLU 142 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.26 1nff n GLU 142 Cb 0.22 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.30 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 0.63 1.36 0.00 0.62 0.00 0.46 -4.33 105.19 103.93 1nff n GLY 143 Ca 0.20 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.13 0.00 -3.86 0.99 4.77 -0.22 -4.42 117.00 115.39 1nff n LEU 144 Ca 0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1nff n LEU 144 Cb 0.50 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1nff n LEU 144 CO 0.12 0.02 0.10 0.00 -1.33 0.00 0.00 177.39 176.30 1nff s ALA 145 N -2.07 -0.40 0.71 -1.18 0.00 -0.77 -5.13 121.76 112.92 1nff s ALA 145 Ca -0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 1nff s ALA 145 Cb 0.01 0.84 0.08 0.00 0.00 0.00 0.00 23.12 24.04 1nff s ALA 145 CO 0.06 -0.70 1.01 0.20 0.00 0.00 0.00 175.76 176.33 1nff s GLY 146 N -2.92 1.72 -0.14 0.00 0.00 -1.26 -4.40 107.32 100.32 1nff s GLY 146 Ca 0.13 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.66 1nff s GLY 146 CO -0.02 -0.66 0.34 -1.59 0.00 0.00 0.00 173.10 171.17 1nff s THR 147 N -3.23 -0.02 0.33 0.90 2.01 -1.26 -5.04 115.64 109.32 1nff s THR 147 Ca 0.62 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1nff s THR 147 Cb -0.09 -0.50 -0.12 0.00 0.01 0.00 0.00 72.50 71.80 1nff s THR 147 CO 0.45 0.03 1.38 0.52 -0.69 0.00 0.00 174.62 176.31 1nff n VAL 148 N 3.88 1.74 -2.93 3.82 0.31 -1.26 -2.43 118.33 121.46 1nff n VAL 148 Ca -0.21 -0.43 -0.21 0.00 -0.01 0.00 0.00 64.34 63.48 1nff n VAL 148 Cb 0.55 -1.69 0.01 0.00 -0.91 0.00 0.00 33.84 31.80 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 0.79 -0.92 -2.67 3.52 0.00 -1.26 -4.87 120.51 115.10 1nff n ALA 149 Ca 0.05 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1nff n ALA 149 Cb 0.36 -2.91 0.03 0.00 0.00 0.00 0.00 19.45 16.94 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 2.93 0.42 -0.49 0.00 -0.00 -1.81 -1.11 115.15 115.09 1nff h HIS 151 Ca -0.11 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.06 1nff h HIS 151 Cb 1.19 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 1nff h HIS 151 CO 0.49 0.81 0.08 0.78 -0.00 0.00 0.00 177.93 180.09 1nff h GLY 152 N -0.09 0.87 0.88 2.45 0.00 -1.93 -0.48 103.07 104.77 1nff h GLY 152 Ca 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1nff h GLY 152 CO 0.05 0.53 0.00 -1.82 0.00 0.00 0.00 176.54 175.30 1nff h TYR 153 N 0.68 0.57 -0.01 5.60 3.20 -1.81 -1.66 116.97 123.55 1nff h TYR 153 Ca 0.15 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1nff h TYR 153 Cb 0.39 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1nff h TYR 153 CO 0.03 0.66 0.00 1.15 -1.64 0.00 0.00 178.16 178.36 1nff h THR 154 N 0.32 1.09 -0.65 1.81 2.02 -1.14 -1.31 112.91 115.06 1nff h THR 154 Ca 0.08 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 67.06 1nff h THR 154 Cb 0.43 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 1nff h THR 154 CO 0.01 0.07 0.34 0.00 0.37 0.00 0.00 175.52 176.31 1nff h ALA 155 N 0.89 0.86 -0.24 6.16 0.00 -1.03 -0.73 119.26 125.17 1nff h ALA 155 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1nff h ALA 155 Cb 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nff h ALA 155 CO -0.00 -0.01 -0.57 1.79 0.00 0.00 0.00 179.25 180.45 1nff h THR 156 N 0.62 1.29 -0.13 0.00 1.35 -1.20 -0.99 112.91 113.85 1nff h THR 156 Ca 0.30 -1.78 -0.10 0.00 -0.55 0.00 0.00 66.41 64.27 1nff h THR 156 Cb 0.23 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1nff h THR 156 CO -0.20 0.57 -0.37 0.11 -0.25 0.00 0.00 175.52 175.38 1nff h LYS 157 N 0.58 0.26 -0.27 4.72 1.79 -0.93 0.62 116.57 123.34 1nff h LYS 157 Ca 0.01 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.19 1nff h LYS 157 Cb 1.17 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1nff h LYS 157 CO 0.12 0.60 -0.52 0.74 -1.08 0.00 0.00 179.45 179.31 1nff h PHE 158 N 0.23 0.99 -0.69 -1.35 -1.00 -1.07 -2.68 116.94 111.36 1nff h PHE 158 Ca 0.03 -0.34 -0.04 0.00 2.81 0.00 0.00 57.97 60.42 1nff h PHE 158 Cb 0.76 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 1nff h PHE 158 CO 0.01 1.14 0.28 0.00 -1.61 0.00 0.00 178.31 178.14 1nff h ALA 159 N 0.79 0.89 -0.75 2.45 0.00 -0.58 -1.98 119.26 120.07 1nff h ALA 159 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1nff h ALA 159 Cb 1.11 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1nff h ALA 159 CO 0.11 0.51 0.36 0.28 0.00 0.00 0.00 179.25 180.52 1nff h VAL 160 N 0.98 1.24 -0.65 0.00 2.07 -0.86 0.95 116.25 119.98 1nff h VAL 160 Ca 0.23 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1nff h VAL 160 Cb 0.20 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1nff h VAL 160 CO -0.02 0.28 0.43 -0.09 0.02 0.00 0.00 177.57 178.19 1nff h ARG 161 N 1.07 0.86 -0.16 1.57 2.43 -1.10 -1.22 114.38 117.83 1nff h ARG 161 Ca 0.26 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1nff h ARG 161 Cb 0.10 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1nff h ARG 161 CO -0.03 0.58 -0.52 0.78 -1.51 0.00 0.00 179.97 179.27 1nff h GLY 162 N 0.88 0.69 1.78 2.80 0.00 -0.75 -3.14 103.07 105.33 1nff h GLY 162 Ca 0.24 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1nff h GLY 162 CO -0.05 0.81 0.08 -2.00 0.00 0.00 0.00 176.54 175.38 1nff h LEU 163 N 0.29 0.26 -1.08 3.11 5.85 -0.71 -1.32 115.31 121.71 1nff h LEU 163 Ca -0.02 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1nff h LEU 163 Cb 1.14 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1nff h LEU 163 CO 0.11 0.25 0.62 0.74 -0.34 0.00 0.00 178.44 179.82 1nff h THR 164 N 0.30 1.20 -0.01 1.05 2.02 -1.18 -1.84 112.91 114.45 1nff h THR 164 Ca 0.08 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1nff h THR 164 Cb 0.07 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1nff h THR 164 CO -0.01 0.22 -0.06 0.11 0.37 0.00 0.00 175.52 176.16 1nff h LYS 165 N 1.23 0.06 -0.60 6.66 1.57 -1.28 -1.86 116.57 122.35 1nff h LYS 165 Ca 0.36 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1nff h LYS 165 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1nff h LYS 165 CO -0.09 0.72 0.39 0.66 -0.57 0.00 0.00 179.45 180.56 1nff h SER 166 N -0.59 0.66 0.16 0.86 4.64 -1.35 -1.82 113.55 116.12 1nff h SER 166 Ca -0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1nff h SER 166 Cb 0.73 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1nff h SER 166 CO 0.01 0.48 -0.49 0.71 -0.87 0.00 0.00 176.83 176.67 1nff h THR 167 N 0.79 1.33 -0.57 2.95 1.35 -1.43 -2.68 112.91 114.66 1nff h THR 167 Ca 0.23 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1nff h THR 167 Cb -0.06 1.76 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 1nff h THR 167 CO -0.06 0.52 0.36 0.00 -0.25 0.00 0.00 175.52 176.09 1nff h ALA 168 N 1.17 0.72 -0.61 6.62 0.00 -0.86 0.48 119.26 126.78 1nff h ALA 168 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nff h ALA 168 Cb 0.98 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1nff h ALA 168 CO 0.08 0.19 0.22 -0.07 0.00 0.00 0.00 179.25 179.67 1nff h LEU 169 N 0.77 0.86 -0.39 0.00 3.38 -1.24 -0.87 115.31 117.81 1nff h LEU 169 Ca 0.21 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1nff h LEU 169 Cb -0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1nff h LEU 169 CO -0.04 0.81 -0.56 -0.08 0.09 0.00 0.00 178.44 178.66 1nff h GLU 170 N 0.85 0.73 0.00 1.13 4.81 -1.17 -3.31 114.58 117.64 1nff h GLU 170 Ca 0.20 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1nff h GLU 170 Cb 0.24 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1nff h GLU 170 CO -0.01 1.09 -0.62 -0.07 -0.73 0.00 0.00 179.01 178.67 1nff h LEU 171 N 0.56 0.00 -0.44 1.64 3.38 -0.85 -3.39 115.31 116.21 1nff h LEU 171 Ca 0.01 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.91 1nff h LEU 171 Cb 1.14 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1nff h LEU 171 CO 0.12 0.08 -0.14 1.23 0.09 0.00 0.00 178.44 179.81 1nff h GLY 172 N 4.40 0.25 1.49 0.83 0.00 -1.13 -0.55 103.07 108.35 1nff h GLY 172 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1nff h GLY 172 CO 0.00 -0.18 0.25 -2.55 0.00 0.00 0.00 176.54 174.05 1nff h PRO 173 N -0.04 0.00 -0.11 4.80 0.11 -1.79 0.23 132.00 135.19 1nff h PRO 173 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1nff h PRO 173 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1nff h PRO 173 CO -0.48 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.74 1nff n SER 174 N -3.01 2.19 0.00 -2.05 7.64 -0.24 -4.93 113.62 113.22 1nff n SER 174 Ca -0.02 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1nff n SER 174 Cb 0.31 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 1.26 0.63 3.58 0.23 0.00 0.80 -4.03 105.19 107.66 1nff n GLY 175 Ca 0.17 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 4.63 -0.02 -0.61 1.01 -1.06 -2.55 121.20 120.61 1nff s ILE 176 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1nff s ILE 176 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1nff s ILE 176 CO 0.00 0.42 0.16 -0.13 0.00 0.00 0.00 174.94 175.40 1nff s ARG 177 N 0.74 3.39 -0.07 2.79 0.52 0.03 -3.25 118.95 123.09 1nff s ARG 177 Ca 0.03 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1nff s ARG 177 Cb -0.13 -3.07 0.03 0.00 0.52 0.00 0.00 34.95 32.29 1nff s ARG 177 CO 0.02 0.68 -0.02 0.08 0.02 0.00 0.00 175.30 176.09 1nff s VAL 178 N -1.27 0.49 0.15 3.52 1.01 -1.26 -0.19 120.40 122.85 1nff s VAL 178 Ca 0.25 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1nff s VAL 178 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1nff s VAL 178 CO 0.16 0.27 -0.03 0.20 0.00 0.00 0.00 175.10 175.71 1nff s ASN 179 N 1.77 1.27 0.04 3.32 0.01 -0.47 0.16 114.94 121.05 1nff s ASN 179 Ca 0.03 -1.11 0.09 0.00 -0.71 0.00 0.00 52.86 51.15 1nff s ASN 179 Cb -0.13 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 1nff s ASN 179 CO -0.05 -0.51 -0.25 -0.94 -1.51 0.00 0.00 177.10 173.84 1nff s SER 180 N -3.14 3.01 -0.12 -1.22 1.04 -0.41 -1.06 113.70 111.80 1nff s SER 180 Ca 0.20 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 1nff s SER 180 Cb 0.05 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 1nff s SER 180 CO 0.01 0.25 -0.03 -0.63 0.98 0.00 0.00 173.24 173.82 1nff s ILE 181 N -0.77 4.00 -0.48 -1.02 1.01 -0.16 -0.60 121.20 123.18 1nff s ILE 181 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1nff s ILE 181 Cb -0.10 -2.71 0.13 0.00 0.01 0.00 0.00 42.46 39.79 1nff s ILE 181 CO 0.02 0.54 0.25 -1.00 0.00 0.00 0.00 174.94 174.74 1nff s HIS 182 N -0.18 2.73 0.45 3.97 3.76 0.39 -0.46 115.29 125.95 1nff s HIS 182 Ca 0.04 -2.88 -0.03 0.00 -0.15 0.00 0.00 55.06 52.03 1nff s HIS 182 Cb -0.13 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1nff s HIS 182 CO 0.02 -0.76 0.72 -1.25 -0.85 0.00 0.00 174.74 172.63 1nff s PRO 183 N -0.01 3.45 0.00 8.40 0.04 -1.26 -1.50 135.00 144.12 1nff s PRO 183 Ca 0.17 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1nff s PRO 183 Cb -0.25 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1nff s PRO 183 CO -0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1nff n GLY 184 N -2.15 1.37 3.69 0.56 0.00 -0.83 -2.30 105.19 105.53 1nff n GLY 184 Ca -0.01 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 4.36 -0.03 0.99 2.96 -1.26 -4.92 118.68 120.78 1nff s LEU 185 Ca 0.00 2.45 0.07 0.00 -0.22 0.00 0.00 54.13 56.43 1nff s LEU 185 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1nff s LEU 185 CO 0.00 -0.86 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.25 1nff s VAL 186 N 2.48 2.27 -0.88 1.68 1.01 -1.26 -0.72 120.40 124.98 1nff s VAL 186 Ca 0.72 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1nff s VAL 186 Cb -0.39 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1nff s VAL 186 CO 0.31 0.58 1.58 -0.54 0.00 0.00 0.00 175.10 177.03 1nff s LYS 187 N -0.63 3.14 0.25 2.72 1.02 -0.39 -4.70 119.74 121.15 1nff s LYS 187 Ca 0.10 -0.51 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1nff s LYS 187 Cb -0.10 -4.90 -0.02 0.00 -0.52 0.00 0.00 37.83 32.28 1nff s LYS 187 CO -0.01 -2.53 0.28 0.95 -0.92 0.00 0.00 175.35 173.13 1nff s THR 188 N 6.83 0.00 0.27 2.17 -4.23 -1.26 -4.54 115.64 114.88 1nff s THR 188 Ca 0.52 -1.81 0.37 0.00 -1.18 0.00 0.00 61.69 59.58 1nff s THR 188 Cb -0.05 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.72 1nff s THR 188 CO 0.02 0.00 2.10 1.55 -0.54 0.00 0.00 174.62 177.75 1nff h PRO 189 N 2.39 0.00 -0.35 3.99 0.13 -1.98 -2.66 132.00 133.52 1nff h PRO 189 Ca -0.31 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1nff h PRO 189 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1nff h PRO 189 CO 0.44 0.00 -0.07 1.98 -0.23 0.00 0.00 178.00 180.13 1nff h MET 190 N 0.00 0.57 0.00 0.86 4.05 -1.96 -3.26 114.93 115.19 1nff h MET 190 Ca 0.00 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.23 1nff h MET 190 Cb 0.23 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.89 1nff h MET 190 CO 0.00 0.65 -0.56 0.25 0.23 0.00 0.00 176.91 177.48 1nff n THR 191 N -4.22 1.73 0.32 -0.77 -2.24 -1.07 -4.75 114.28 103.27 1nff n THR 191 Ca 0.01 -2.68 0.15 0.00 -2.27 0.00 0.00 64.05 59.27 1nff n THR 191 Cb 0.30 0.01 0.67 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.89 0.00 0.29 3.42 3.04 -1.52 -1.34 116.42 121.20 1nff h ASP 192 Ca -0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1nff h ASP 192 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1nff h ASP 192 CO 0.02 0.00 -0.15 -2.67 -2.04 0.00 0.00 179.24 174.40 1nff n TRP 193 N -2.70 0.00 -3.68 4.15 4.27 -1.26 -4.84 117.44 113.37 1nff n TRP 193 Ca 0.01 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.25 1nff n TRP 193 Cb 0.23 -0.15 -0.07 0.00 -1.36 0.00 0.00 31.31 29.96 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 -2.45 5.37 0.27 -1.67 1.01 -0.51 -5.05 120.40 117.36 1nff s VAL 194 Ca 0.28 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1nff s VAL 194 Cb 0.20 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1nff s VAL 194 CO 0.48 0.48 1.59 -2.16 0.00 0.00 0.00 175.10 175.49 1nff s PRO 195 N -0.07 4.15 0.57 2.72 0.04 -1.26 -4.86 135.00 136.29 1nff s PRO 195 Ca 0.14 2.53 0.27 0.00 0.04 0.00 0.00 61.00 63.97 1nff s PRO 195 Cb -0.12 -3.05 1.60 0.00 0.04 0.00 0.00 34.50 32.97 1nff s PRO 195 CO 0.03 -0.62 2.12 0.93 0.04 0.00 0.00 177.00 179.50 1nff h GLU 196 N 5.30 0.00 -0.82 4.56 5.08 -1.95 -2.22 114.58 124.52 1nff h GLU 196 Ca -0.46 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.49 1nff h GLU 196 Cb 1.22 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.22 1nff h GLU 196 CO 0.82 0.00 0.45 -0.40 -1.00 0.00 0.00 179.01 178.88 1nff n ASP 197 N -3.98 3.61 -0.04 1.42 5.75 -1.26 -4.08 116.55 117.97 1nff n ASP 197 Ca 0.01 -3.59 0.01 0.00 -0.01 0.00 0.00 54.79 51.20 1nff n ASP 197 Cb 0.28 -0.78 0.31 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 1.21 1.18 -3.18 2.12 2.10 -1.77 -3.43 117.51 115.73 1nff h ILE 198 Ca 0.50 -0.57 -0.57 0.00 1.08 0.00 0.00 64.86 65.30 1nff h ILE 198 Cb 2.54 0.69 -0.03 0.00 -1.09 0.00 0.00 36.82 38.93 1nff h ILE 198 CO 0.90 0.22 -0.27 -0.36 -1.08 0.00 0.00 178.15 177.56 1nff s PHE 199 N -5.25 3.47 -0.69 2.19 2.99 -1.26 -5.03 117.98 114.39 1nff s PHE 199 Ca -0.08 0.59 -0.24 0.00 0.00 0.00 0.00 56.93 57.19 1nff s PHE 199 Cb 0.16 -2.04 0.05 0.00 0.00 0.00 0.00 43.02 41.20 1nff s PHE 199 CO 0.76 0.39 1.09 -0.65 -0.00 0.00 0.00 175.22 176.81 1nff s GLN 200 N -2.80 3.15 0.08 0.44 -0.21 -1.26 -4.95 119.66 114.10 1nff s GLN 200 Ca 0.42 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 55.26 1nff s GLN 200 Cb -0.12 -4.21 -0.04 0.00 1.00 0.00 0.00 33.01 29.65 1nff s GLN 200 CO 0.25 -1.95 0.01 0.95 -2.12 0.00 0.00 175.29 172.43 1nff s THR 201 N 4.74 4.11 0.29 -0.19 -4.23 -1.26 -4.02 115.64 115.08 1nff s THR 201 Ca 0.27 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.98 1nff s THR 201 Cb -0.13 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.76 1nff s THR 201 CO 0.12 0.15 1.66 0.00 -0.54 0.00 0.00 174.62 176.01 1nff h ALA 202 N 3.52 1.06 -0.00 3.99 0.00 -1.08 -2.84 119.26 123.91 1nff h ALA 202 Ca -0.48 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1nff h ALA 202 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nff h ALA 202 CO 0.60 0.71 -0.15 1.28 0.00 0.00 0.00 179.25 181.69 1nff n LEU 203 N -3.87 0.56 -3.77 0.00 4.77 -1.08 -4.96 117.00 108.65 1nff n LEU 203 Ca -0.01 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.69 1nff n LEU 203 Cb 0.57 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1nff n LEU 203 CO 0.41 0.11 0.03 0.61 -1.33 0.00 0.00 177.39 177.22 1nff n GLY 204 N 1.31 -0.39 3.60 -0.72 0.00 -1.07 -4.97 105.19 102.94 1nff n GLY 204 Ca 0.13 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -6.23 0.60 0.67 1.61 1.70 -1.26 -5.06 118.95 110.98 1nff s ARG 205 Ca 0.31 -0.27 -0.06 0.00 -0.47 0.00 0.00 55.73 55.24 1nff s ARG 205 Cb -0.15 0.25 0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1nff s ARG 205 CO 0.81 -0.27 0.97 0.00 -1.08 0.00 0.00 175.30 175.73 1nff s ALA 206 N -2.75 3.26 0.34 7.88 0.00 -1.26 -4.93 121.76 124.31 1nff s ALA 206 Ca 0.09 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1nff s ALA 206 Cb 0.00 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1nff s ALA 206 CO -0.05 -1.17 0.68 0.00 0.00 0.00 0.00 175.76 175.22 1nff s ALA 207 N -3.16 3.44 -0.09 0.00 0.00 0.10 -4.95 121.76 117.11 1nff s ALA 207 Ca 0.59 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 1nff s ALA 207 Cb -0.11 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1nff s ALA 207 CO 0.44 0.16 0.13 -1.21 0.00 0.00 0.00 175.76 175.28 1nff s GLU 208 N -3.54 3.38 0.29 0.00 0.41 -1.26 -1.27 118.70 116.70 1nff s GLU 208 Ca 0.49 -0.20 0.03 0.00 -0.41 0.00 0.00 54.97 54.87 1nff s GLU 208 Cb -0.10 -3.12 0.70 0.00 -1.78 0.00 0.00 34.13 29.82 1nff s GLU 208 CO 0.28 0.75 1.69 -1.00 -0.49 0.00 0.00 175.26 176.49 1nff h PRO 209 N 4.77 0.34 0.00 0.39 0.13 -1.95 0.01 132.00 135.69 1nff h PRO 209 Ca -0.53 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1nff h PRO 209 Cb 1.22 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nff h PRO 209 CO 0.60 0.23 -0.00 -0.24 -0.23 0.00 0.00 178.00 178.35 1nff h VAL 210 N 0.35 0.70 0.00 1.56 3.04 -1.95 0.43 116.25 120.38 1nff h VAL 210 Ca 0.54 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.20 1nff h VAL 210 Cb 1.04 1.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1nff h VAL 210 CO -0.55 0.00 -0.12 -0.33 -1.01 0.00 0.00 177.57 175.56 1nff h GLU 211 N 0.00 0.00 0.10 4.17 5.08 -1.39 0.63 114.58 123.17 1nff h GLU 211 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1nff h GLU 211 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nff h GLU 211 CO 0.00 0.12 -1.88 0.28 -1.00 0.00 0.00 179.01 176.54 1nff h VAL 212 N 0.00 0.74 -0.36 3.13 2.07 -1.02 -3.34 116.25 117.47 1nff h VAL 212 Ca -0.00 -2.47 0.03 0.00 0.82 0.00 0.00 66.70 65.07 1nff h VAL 212 Cb 0.45 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1nff h VAL 212 CO 0.02 0.79 0.24 0.28 0.02 0.00 0.00 177.57 178.92 1nff h SER 213 N 0.06 0.32 -0.41 0.57 0.02 -0.48 -0.27 113.55 113.35 1nff h SER 213 Ca -0.37 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1nff h SER 213 Cb 2.03 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.48 1nff h SER 213 CO 0.10 0.22 0.16 0.78 -1.14 0.00 0.00 176.83 176.95 1nff h ASN 214 N 0.37 0.62 0.15 3.07 2.35 -1.02 -0.41 115.58 120.71 1nff h ASN 214 Ca 0.14 -0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 1nff h ASN 214 Cb 0.12 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1nff h ASN 214 CO -0.03 0.58 -0.82 0.25 -1.65 0.00 0.00 177.43 175.76 1nff h LEU 215 N 0.67 0.64 -0.52 1.61 5.85 -1.23 -2.41 115.31 119.92 1nff h LEU 215 Ca 0.16 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1nff h LEU 215 Cb 0.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1nff h LEU 215 CO -0.01 1.23 0.27 0.58 -0.34 0.00 0.00 178.44 180.17 1nff h VAL 216 N 0.34 1.18 -0.62 1.05 2.07 -0.67 -1.53 116.25 118.07 1nff h VAL 216 Ca -0.06 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nff h VAL 216 Cb 1.43 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1nff h VAL 216 CO 0.15 0.20 0.38 0.58 0.02 0.00 0.00 177.57 178.90 1nff h VAL 217 N 0.69 1.18 -0.12 2.57 2.07 -1.03 0.43 116.25 122.04 1nff h VAL 217 Ca 0.18 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1nff h VAL 217 Cb 0.07 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1nff h VAL 217 CO -0.03 0.18 0.04 0.22 0.02 0.00 0.00 177.57 178.01 1nff h TYR 218 N 0.84 0.07 0.00 1.57 3.20 -1.09 -0.51 116.97 121.04 1nff h TYR 218 Ca 0.22 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1nff h TYR 218 Cb -0.03 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1nff h TYR 218 CO -0.02 0.04 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.08 1nff h LEU 219 N 0.10 0.00 -0.25 2.82 3.38 -1.04 -2.90 115.31 117.42 1nff h LEU 219 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1nff h LEU 219 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1nff h LEU 219 CO -0.06 0.38 -0.89 0.00 0.09 0.00 0.00 178.44 177.96 1nff h ALA 220 N 1.62 0.48 -2.40 1.53 0.00 -0.58 -3.46 119.26 116.45 1nff h ALA 220 Ca -0.00 -0.72 -0.49 0.00 0.00 0.00 0.00 54.91 53.70 1nff h ALA 220 Cb 0.76 -0.06 0.12 0.00 0.00 0.00 0.00 17.79 18.60 1nff h ALA 220 CO 0.05 0.88 0.33 -1.54 0.00 0.00 0.00 179.25 178.97 1nff s SER 221 N -6.97 4.37 0.00 0.00 1.04 -0.23 -4.85 113.70 107.06 1nff s SER 221 Ca -0.04 1.35 0.27 0.00 0.48 0.00 0.00 55.95 58.01 1nff s SER 221 Cb 0.10 -2.07 1.52 0.00 0.10 0.00 0.00 66.02 65.67 1nff s SER 221 CO 0.84 -2.05 1.94 0.47 0.98 0.00 0.00 173.24 175.41 1nff n ASP 222 N -3.49 0.00 0.05 7.02 8.00 -1.26 -3.27 116.55 123.60 1nff n ASP 222 Ca 0.07 -0.62 0.01 0.00 0.71 0.00 0.00 54.79 54.97 1nff n ASP 222 Cb 0.56 -0.09 0.34 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.00 0.39 -0.99 -1.24 5.08 -1.92 -2.36 114.58 113.54 1nff h GLU 223 Ca 0.00 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 57.95 1nff h GLU 223 Cb 0.07 -0.06 -0.20 0.00 0.50 0.00 0.00 28.75 29.07 1nff h GLU 223 CO 0.00 0.47 0.42 -1.13 -1.00 0.00 0.00 179.01 177.76 1nff n SER 224 N -4.28 3.50 0.05 1.42 3.41 -1.20 -4.69 113.62 111.83 1nff n SER 224 Ca 0.00 -3.03 0.21 0.00 -0.26 0.00 0.00 58.87 55.80 1nff n SER 224 Cb 0.25 -0.72 0.70 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.69 0.00 -0.49 4.04 4.64 -1.65 -1.41 113.55 119.38 1nff h SER 225 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1nff h SER 225 Cb 2.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 1nff h SER 225 CO 0.71 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 1nff n TYR 226 N -3.61 0.76 -3.80 4.77 9.36 -1.26 -4.91 117.16 118.46 1nff n TYR 226 Ca 0.10 -0.54 -0.36 0.00 3.32 0.00 0.00 57.90 60.41 1nff n TYR 226 Cb 0.76 -0.06 -0.13 0.00 -0.63 0.00 0.00 39.34 39.28 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 -1.06 5.08 -0.10 2.98 0.01 -0.53 -5.08 113.70 115.00 1nff s SER 227 Ca 0.35 -0.21 -0.21 0.00 1.31 0.00 0.00 55.95 57.19 1nff s SER 227 Cb 0.20 -1.91 0.05 0.00 0.21 0.00 0.00 66.02 64.57 1nff s SER 227 CO 0.21 -0.02 0.51 0.28 0.41 0.00 0.00 173.24 174.64 1nff s THR 228 N 1.50 0.02 -0.12 1.44 -1.32 -1.26 -4.74 115.64 111.16 1nff s THR 228 Ca 0.06 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1nff s THR 228 Cb -0.15 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1nff s THR 228 CO 0.03 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1nff n GLY 229 N 1.78 0.40 3.89 6.08 0.00 0.43 -4.94 105.19 112.83 1nff n GLY 229 Ca -0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.71 3.76 -0.24 4.61 0.00 -1.26 -4.64 121.76 122.27 1nff s ALA 230 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1nff s ALA 230 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1nff s ALA 230 CO 0.00 0.33 0.19 -1.21 0.00 0.00 0.00 175.76 175.07 1nff s GLU 231 N -3.67 4.06 -0.30 0.00 2.02 -1.26 -1.28 118.70 118.26 1nff s GLU 231 Ca 0.33 -0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.05 1nff s GLU 231 Cb -0.09 -3.56 0.04 0.00 0.10 0.00 0.00 34.13 30.62 1nff s GLU 231 CO 0.27 0.02 0.04 -0.06 0.02 0.00 0.00 175.26 175.54 1nff s PHE 232 N 1.18 3.21 -0.14 1.61 0.40 0.24 -4.99 117.98 119.49 1nff s PHE 232 Ca 0.08 -1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 54.71 1nff s PHE 232 Cb -0.14 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1nff s PHE 232 CO 0.06 -0.73 0.41 0.08 0.70 0.00 0.00 175.22 175.74 1nff s VAL 233 N 1.35 5.22 -0.48 -0.44 1.01 -1.26 -0.46 120.40 125.34 1nff s VAL 233 Ca -0.02 0.80 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1nff s VAL 233 Cb -0.19 -3.75 0.20 0.00 0.00 0.00 0.00 36.38 32.64 1nff s VAL 233 CO 0.00 0.33 0.45 0.55 0.00 0.00 0.00 175.10 176.43 1nff n VAL 234 N 3.75 -0.23 -0.92 2.92 3.14 -0.56 -4.92 118.33 121.49 1nff n VAL 234 Ca -0.09 -4.00 0.03 0.00 -2.96 0.00 0.00 64.34 57.33 1nff n VAL 234 Cb 0.52 -1.86 0.04 0.00 -1.06 0.00 0.00 33.84 31.47 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 2.16 1.29 -0.23 6.55 5.75 -1.26 -1.97 116.55 128.84 1nff n ASP 235 Ca 0.26 -2.12 -0.03 0.00 -0.01 0.00 0.00 54.79 52.90 1nff n ASP 235 Cb 0.46 -0.17 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.57 0.45 0.00 6.12 0.00 -1.26 -3.00 105.19 106.92 1nff n GLY 236 Ca 0.05 -0.08 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 -0.55 0.54 0.41 -0.02 0.00 -1.26 -0.56 105.19 103.75 1nff n GLY 237 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 0.15 0.00 2.61 2.02 -1.67 -2.04 112.91 113.98 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 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 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 -5.45 0.65 0.86 3.16 0.24 -1.26 -2.36 118.33 114.17 1nff n VAL 239 Ca -0.06 0.16 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 1nff n VAL 239 Cb 0.37 -0.85 0.51 0.00 -1.47 0.00 0.00 33.84 32.40 1nff n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nff n ALA 240 N -1.44 2.41 -2.61 2.33 0.00 -0.77 -4.86 120.51 115.56 1nff n ALA 240 Ca 0.06 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 1nff n ALA 240 Cb 0.20 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 1nff n ALA 240 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nff s GLY 241 N -3.22 2.55 -0.01 0.00 0.00 -0.99 -5.14 107.32 100.50 1nff s GLY 241 Ca 0.12 -2.06 -0.11 0.00 0.00 0.00 0.00 44.72 42.68 1nff s GLY 241 CO 0.57 -2.09 0.32 1.08 0.00 0.00 0.00 173.10 172.99 1nff s LEU 242 N -3.76 4.42 -0.08 0.66 1.43 -1.26 -5.01 118.68 115.07 1nff s LEU 242 Ca 0.32 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 1nff s LEU 242 Cb 0.08 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1nff s LEU 242 CO 0.17 0.31 1.63 0.00 0.23 0.00 0.00 176.35 178.68 1nff s ALA 243 N -1.16 3.57 0.01 4.21 0.00 -1.26 -5.01 121.76 122.12 1nff s ALA 243 Ca 0.24 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1nff s ALA 243 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1nff s ALA 243 CO 0.12 -1.46 0.06 -1.01 0.00 0.00 0.00 175.76 173.47 1nff s HIS 244 N 4.19 3.21 -2.74 0.00 0.09 -1.26 -5.25 115.29 113.53 1nff s HIS 244 Ca 0.72 0.15 0.26 0.00 -0.00 0.00 0.00 55.06 56.19 1nff s HIS 244 Cb -0.31 -1.70 0.64 0.00 -0.00 0.00 0.00 32.58 31.21 1nff s HIS 244 CO 0.28 0.52 1.51 -1.71 -0.00 0.00 0.00 174.74 175.35