#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xc3 s MET 1 N 0.00 3.20 0.06 0.00 -1.94 -1.26 -4.60 119.30 114.76 1xc3 s MET 1 Ca 0.00 -0.50 0.09 0.00 -1.71 0.00 0.00 55.69 53.58 1xc3 s MET 1 Cb 0.00 -2.78 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1xc3 s MET 1 CO 0.00 0.50 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.74 1xc3 s LEU 2 N -0.34 2.22 0.03 -0.03 1.43 0.05 -0.25 118.68 121.79 1xc3 s LEU 2 Ca 0.06 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1xc3 s LEU 2 Cb -0.12 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1xc3 s LEU 2 CO 0.02 0.25 0.12 -0.83 0.23 0.00 0.00 176.35 176.14 1xc3 s GLY 3 N -1.38 2.08 -0.02 -3.19 0.00 -0.11 -0.54 107.32 104.16 1xc3 s GLY 3 Ca 0.12 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.99 1xc3 s GLY 3 CO 0.03 -0.80 -0.11 -0.32 0.00 0.00 0.00 173.10 171.89 1xc3 s GLY 4 N -2.08 0.58 -0.18 0.20 0.00 0.66 -0.86 107.32 105.64 1xc3 s GLY 4 Ca 0.28 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1xc3 s GLY 4 CO 0.19 -0.30 -0.13 -0.42 0.00 0.00 0.00 173.10 172.44 1xc3 s ILE 5 N -0.09 1.73 -0.45 0.90 1.01 0.56 -0.93 121.20 123.92 1xc3 s ILE 5 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1xc3 s ILE 5 Cb -0.06 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.79 1xc3 s ILE 5 CO 0.00 0.32 0.33 -0.70 0.00 0.00 0.00 174.94 174.89 1xc3 s GLU 6 N 1.39 2.77 -0.39 2.79 2.12 0.41 -0.67 118.70 127.12 1xc3 s GLU 6 Ca 0.01 -1.44 -0.20 0.00 0.36 0.00 0.00 54.97 53.70 1xc3 s GLU 6 Cb -0.15 -3.96 0.01 0.00 0.26 0.00 0.00 34.13 30.30 1xc3 s GLU 6 CO -0.10 -1.01 0.60 0.00 -0.54 0.00 0.00 175.26 174.21 1xc3 s ALA 7 N 1.52 3.42 0.34 6.30 0.00 -0.16 -1.50 121.76 131.68 1xc3 s ALA 7 Ca 0.04 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1xc3 s ALA 7 Cb -0.24 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1xc3 s ALA 7 CO 0.04 -1.47 0.14 0.20 0.00 0.00 0.00 175.76 174.66 1xc3 s GLY 8 N 1.86 1.96 0.35 0.00 0.00 -0.22 -1.13 107.32 110.15 1xc3 s GLY 8 Ca 0.22 -1.84 0.12 0.00 0.00 0.00 0.00 44.72 43.22 1xc3 s GLY 8 CO 0.16 -1.77 1.78 -1.33 0.00 0.00 0.00 173.10 171.94 1xc3 h GLY 9 N 1.55 0.01 0.00 0.20 0.00 -1.98 -3.34 103.07 99.52 1xc3 h GLY 9 Ca -0.44 -0.01 -0.34 0.00 0.00 0.00 0.00 47.33 46.54 1xc3 h GLY 9 CO 0.63 0.01 -2.30 2.41 0.00 0.00 0.00 176.54 177.29 1xc3 n THR 10 N -4.04 1.31 -4.01 4.70 -1.04 -1.26 -4.69 114.28 105.24 1xc3 n THR 10 Ca -0.02 -0.55 -0.08 0.00 -2.04 0.00 0.00 64.05 61.37 1xc3 n THR 10 Cb 0.45 -1.19 -0.09 0.00 -1.82 0.00 0.00 70.33 67.67 1xc3 n THR 10 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1xc3 s LYS 11 N -2.46 0.64 -0.10 -2.82 -2.85 -1.25 -1.08 119.74 109.82 1xc3 s LYS 11 Ca -0.28 -1.08 -0.05 0.00 -1.00 0.00 0.00 55.97 53.57 1xc3 s LYS 11 Cb 0.08 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1xc3 s LYS 11 CO 0.57 -0.15 0.09 -0.06 0.10 0.00 0.00 175.35 175.90 1xc3 s PHE 12 N -3.62 3.43 -0.14 1.78 0.40 -0.16 -1.05 117.98 118.61 1xc3 s PHE 12 Ca 0.04 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 1xc3 s PHE 12 Cb 0.05 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1xc3 s PHE 12 CO -0.09 0.63 -0.15 0.08 0.70 0.00 0.00 175.22 176.39 1xc3 s VAL 13 N -0.98 2.76 0.05 -0.44 1.01 -0.56 -1.79 120.40 120.45 1xc3 s VAL 13 Ca 0.14 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1xc3 s VAL 13 Cb -0.12 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1xc3 s VAL 13 CO 0.04 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.47 1xc3 s ALA 15 N -0.95 -0.21 -0.09 0.00 0.00 -0.10 -0.79 121.76 119.62 1xc3 s ALA 15 Ca 0.15 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1xc3 s ALA 15 Cb -0.10 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1xc3 s ALA 15 CO 0.06 -0.28 -0.16 0.08 0.00 0.00 0.00 175.76 175.46 1xc3 s VAL 16 N -2.09 2.83 0.00 0.00 1.01 -0.56 -0.24 120.40 121.34 1xc3 s VAL 16 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1xc3 s VAL 16 Cb -0.04 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1xc3 s VAL 16 CO -0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1xc3 n GLY 17 N 2.99 2.50 3.54 4.51 0.00 0.30 -0.40 105.19 118.63 1xc3 n GLY 17 Ca -0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1xc3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xc3 s ARG 18 N -0.51 1.80 0.59 1.61 1.81 -0.50 -0.77 118.95 122.98 1xc3 s ARG 18 Ca 0.00 -1.95 0.34 0.00 -1.72 0.00 0.00 55.73 52.40 1xc3 s ARG 18 Cb 0.00 -1.60 1.86 0.00 -0.45 0.00 0.00 34.95 34.76 1xc3 s ARG 18 CO 0.00 0.09 2.22 1.05 -0.68 0.00 0.00 175.30 177.97 1xc3 h GLU 19 N 2.01 0.00 -0.16 3.54 4.11 -1.89 -0.95 114.58 121.24 1xc3 h GLU 19 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1xc3 h GLU 19 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xc3 h GLU 19 CO 0.72 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.43 1xc3 n ASP 20 N -3.51 1.12 0.00 3.06 3.85 -1.26 -4.87 116.55 114.95 1xc3 n ASP 20 Ca -0.02 -1.80 0.00 0.00 -0.71 0.00 0.00 54.79 52.26 1xc3 n ASP 20 Cb 0.14 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 1xc3 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xc3 n GLY 21 N 0.93 0.84 3.71 6.12 0.00 -0.36 -5.03 105.19 111.40 1xc3 n GLY 21 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1xc3 n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xc3 s THR 22 N -2.93 2.26 -0.29 2.61 2.01 -1.25 -4.83 115.64 113.22 1xc3 s THR 22 Ca 0.00 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 1xc3 s THR 22 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1xc3 s THR 22 CO 0.00 0.01 0.47 -0.63 -0.69 0.00 0.00 174.62 173.77 1xc3 s ILE 23 N 1.55 5.09 -0.07 1.82 1.01 -1.26 -1.41 121.20 127.93 1xc3 s ILE 23 Ca 0.75 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.87 1xc3 s ILE 23 Cb -0.48 -3.83 -0.30 0.00 0.01 0.00 0.00 42.46 37.87 1xc3 s ILE 23 CO 0.33 0.01 0.66 0.40 0.00 0.00 0.00 174.94 176.33 1xc3 h ILE 24 N 5.46 1.03 -2.80 2.92 2.04 -1.08 -3.49 117.51 121.60 1xc3 h ILE 24 Ca -0.29 -2.48 -0.07 0.00 1.00 0.00 0.00 64.86 63.02 1xc3 h ILE 24 Cb 1.14 2.79 -0.17 0.00 -0.74 0.00 0.00 36.82 39.85 1xc3 h ILE 24 CO 0.71 0.78 -0.00 -0.62 0.00 0.00 0.00 178.15 179.02 1xc3 s ASP 25 N -7.18 -0.40 0.11 1.72 2.15 -1.01 -5.01 116.67 107.05 1xc3 s ASP 25 Ca -0.17 0.16 -0.13 0.00 0.43 0.00 0.00 52.55 52.84 1xc3 s ASP 25 Cb 0.05 0.47 0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1xc3 s ASP 25 CO 0.82 -0.69 0.31 0.00 -0.17 0.00 0.00 175.17 175.45 1xc3 s ARG 26 N -2.32 0.99 0.03 4.34 1.70 -1.26 -1.49 118.95 120.93 1xc3 s ARG 26 Ca -0.06 -0.83 -0.08 0.00 -0.47 0.00 0.00 55.73 54.29 1xc3 s ARG 26 Cb -0.01 0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1xc3 s ARG 26 CO -0.01 -0.36 0.15 -1.50 -1.08 0.00 0.00 175.30 172.49 1xc3 s ILE 27 N -3.84 0.11 0.05 4.99 2.07 0.03 -5.00 121.20 119.61 1xc3 s ILE 27 Ca 0.04 -0.88 0.01 0.00 -1.41 0.00 0.00 60.65 58.41 1xc3 s ILE 27 Cb 0.03 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.86 1xc3 s ILE 27 CO -0.11 -0.48 -0.05 -1.83 -1.91 0.00 0.00 174.94 170.55 1xc3 s GLU 28 N -2.14 0.55 0.05 3.50 -1.05 -1.26 -0.70 118.70 117.65 1xc3 s GLU 28 Ca -0.09 -0.93 -0.19 0.00 -0.15 0.00 0.00 54.97 53.62 1xc3 s GLU 28 Cb -0.03 -0.07 0.04 0.00 -0.44 0.00 0.00 34.13 33.62 1xc3 s GLU 28 CO -0.02 -0.02 0.43 -0.59 0.95 0.00 0.00 175.26 176.01 1xc3 s PHE 29 N -2.35 -0.29 0.36 4.83 -0.12 -0.74 -5.01 117.98 114.67 1xc3 s PHE 29 Ca -0.04 0.25 -0.27 0.00 -0.05 0.00 0.00 56.93 56.82 1xc3 s PHE 29 Cb -0.03 0.24 -0.12 0.00 -0.63 0.00 0.00 43.02 42.48 1xc3 s PHE 29 CO -0.03 -0.59 1.31 -2.30 -0.05 0.00 0.00 175.22 173.56 1xc3 n PRO 30 N 0.47 2.15 -2.43 1.99 -0.02 -1.26 -0.99 135.00 134.90 1xc3 n PRO 30 Ca -0.18 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1xc3 n PRO 30 Cb 0.60 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1xc3 n PRO 30 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xc3 s THR 31 N -1.12 4.28 0.00 3.45 2.01 -0.24 -4.67 115.64 119.35 1xc3 s THR 31 Ca 0.56 1.56 0.00 0.00 0.31 0.00 0.00 61.69 64.12 1xc3 s THR 31 Cb -0.54 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 67.96 1xc3 s THR 31 CO 0.61 -0.12 0.00 0.29 -0.69 0.00 0.00 174.62 174.71 1xc3 n LYS 32 N 6.47 3.13 -2.40 4.92 5.02 -1.26 -4.88 118.16 129.16 1xc3 n LYS 32 Ca 0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 1xc3 n LYS 32 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.44 1xc3 n LYS 32 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xc3 s MET 33 N 4.68 3.64 0.16 1.97 -1.94 -1.26 -4.87 119.30 121.67 1xc3 s MET 33 Ca 0.00 1.37 -0.20 0.00 -1.71 0.00 0.00 55.69 55.15 1xc3 s MET 33 Cb 0.00 -2.07 0.06 0.00 2.01 0.00 0.00 34.83 34.84 1xc3 s MET 33 CO 0.00 -0.57 1.64 -1.35 -0.01 0.00 0.00 175.02 174.73 1xc3 h PRO 34 N 1.29 -0.14 -0.09 2.03 0.11 -1.86 -1.86 132.00 131.48 1xc3 h PRO 34 Ca -0.49 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1xc3 h PRO 34 Cb 1.23 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1xc3 h PRO 34 CO 0.58 -0.09 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.74 1xc3 h ASP 35 N -0.15 -0.31 0.20 -2.05 3.45 -1.96 -0.11 116.42 115.49 1xc3 h ASP 35 Ca 0.17 0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.57 1xc3 h ASP 35 Cb 0.40 0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 1xc3 h ASP 35 CO -0.41 -0.14 -0.44 1.05 -1.57 0.00 0.00 179.24 177.73 1xc3 h GLU 36 N -0.13 0.30 -0.10 3.56 4.11 -1.94 -1.55 114.58 118.83 1xc3 h GLU 36 Ca 0.07 -0.16 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 1xc3 h GLU 36 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xc3 h GLU 36 CO -0.17 0.69 -0.12 1.15 0.07 0.00 0.00 179.01 180.63 1xc3 h THR 37 N 0.25 1.37 -0.03 -1.06 2.02 -1.02 -2.95 112.91 111.49 1xc3 h THR 37 Ca 0.02 -1.30 -0.08 0.00 0.77 0.00 0.00 66.41 65.81 1xc3 h THR 37 Cb 0.88 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1xc3 h THR 37 CO 0.07 0.37 -0.36 0.40 0.37 0.00 0.00 175.52 176.37 1xc3 h ILE 38 N -0.15 1.27 -0.72 3.11 2.04 -1.01 -2.54 117.51 119.50 1xc3 h ILE 38 Ca 0.01 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.61 1xc3 h ILE 38 Cb 0.65 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1xc3 h ILE 38 CO 0.03 0.37 0.47 -0.08 0.00 0.00 0.00 178.15 178.94 1xc3 h GLU 39 N 0.05 0.93 -0.48 2.37 4.57 -1.25 -1.08 114.58 119.69 1xc3 h GLU 39 Ca 0.00 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1xc3 h GLU 39 Cb 0.66 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1xc3 h GLU 39 CO 0.05 0.62 0.17 0.87 -1.18 0.00 0.00 179.01 179.54 1xc3 h LYS 40 N 0.96 0.70 0.06 1.92 1.57 -1.29 0.20 116.57 120.70 1xc3 h LYS 40 Ca 0.27 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xc3 h LYS 40 Cb -0.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1xc3 h LYS 40 CO -0.07 0.59 -0.03 0.28 -0.57 0.00 0.00 179.45 179.65 1xc3 h VAL 41 N 0.69 1.01 -0.58 0.50 2.07 -1.08 -1.42 116.25 117.43 1xc3 h VAL 41 Ca 0.16 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1xc3 h VAL 41 Cb 0.17 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1xc3 h VAL 41 CO -0.01 0.06 0.24 0.40 0.02 0.00 0.00 177.57 178.28 1xc3 h ILE 42 N -0.19 1.22 -0.80 4.57 1.08 -0.89 -1.06 117.51 121.43 1xc3 h ILE 42 Ca -0.01 -0.68 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 1xc3 h ILE 42 Cb 0.16 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 1xc3 h ILE 42 CO 0.01 0.27 0.39 1.56 -0.69 0.00 0.00 178.15 179.69 1xc3 h GLN 43 N 0.80 1.15 0.08 2.37 1.08 -0.91 -0.79 115.11 118.90 1xc3 h GLN 43 Ca 0.20 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1xc3 h GLN 43 Cb 0.19 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1xc3 h GLN 43 CO -0.02 0.89 -0.04 -0.92 -0.95 0.00 0.00 178.83 177.79 1xc3 h TYR 44 N 1.13 -0.10 0.00 2.96 3.20 -0.97 -3.16 116.97 120.03 1xc3 h TYR 44 Ca 0.28 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1xc3 h TYR 44 Cb 0.11 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1xc3 h TYR 44 CO 0.01 0.11 -0.11 0.74 -1.64 0.00 0.00 178.16 177.27 1xc3 h PHE 45 N -0.30 0.00 -0.06 -3.82 0.05 -1.00 -3.05 116.94 108.75 1xc3 h PHE 45 Ca -0.01 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.80 1xc3 h PHE 45 Cb 0.26 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.20 1xc3 h PHE 45 CO -0.01 0.11 0.07 0.66 -0.18 0.00 0.00 178.31 178.97 1xc3 h SER 46 N 0.00 0.00 0.43 2.17 4.64 -1.10 -1.81 113.55 117.89 1xc3 h SER 46 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xc3 h SER 46 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1xc3 h SER 46 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1xc3 n GLN 47 N -3.84 0.47 -4.48 4.77 6.02 -1.15 -4.81 117.38 114.36 1xc3 n GLN 47 Ca -0.01 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.77 1xc3 n GLN 47 Cb 0.17 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.82 1xc3 n GLN 47 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xc3 s PHE 48 N -2.48 2.13 -0.50 1.08 0.40 -0.68 -5.10 117.98 112.82 1xc3 s PHE 48 Ca 0.29 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1xc3 s PHE 48 Cb 0.19 -1.30 0.13 0.00 0.51 0.00 0.00 43.02 42.55 1xc3 s PHE 48 CO 0.40 0.32 0.30 0.45 0.70 0.00 0.00 175.22 177.40 1xc3 s SER 49 N -3.52 5.23 -0.07 1.36 0.15 -1.26 -5.03 113.70 110.56 1xc3 s SER 49 Ca 0.32 -2.40 -0.06 0.00 0.70 0.00 0.00 55.95 54.52 1xc3 s SER 49 Cb 0.05 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1xc3 s SER 49 CO 0.14 -0.47 0.18 -0.76 1.20 0.00 0.00 173.24 173.53 1xc3 s LEU 50 N 0.61 4.38 0.09 3.45 1.43 -1.26 -4.57 118.68 122.81 1xc3 s LEU 50 Ca 0.12 0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.77 1xc3 s LEU 50 Cb -0.22 -2.34 -0.18 0.00 0.03 0.00 0.00 46.19 43.49 1xc3 s LEU 50 CO -0.04 0.34 1.11 1.56 0.23 0.00 0.00 176.35 179.55 1xc3 h GLN 51 N 4.46 0.00 -2.07 1.70 7.50 -1.01 -3.49 115.11 122.21 1xc3 h GLN 51 Ca -0.52 0.00 0.09 0.00 0.50 0.00 0.00 58.65 58.72 1xc3 h GLN 51 Cb 1.21 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.57 1xc3 h GLN 51 CO 0.63 0.76 0.49 0.00 -1.50 0.00 0.00 178.83 179.21 1xc3 s ALA 52 N -2.72 -1.85 0.09 3.87 0.00 -1.25 -4.25 121.76 115.64 1xc3 s ALA 52 Ca -0.00 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.22 1xc3 s ALA 52 Cb 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1xc3 s ALA 52 CO 0.81 -0.57 -0.21 0.42 0.00 0.00 0.00 175.76 176.22 1xc3 s ILE 53 N -2.46 1.69 -0.04 0.00 1.01 -0.35 -0.93 121.20 120.11 1xc3 s ILE 53 Ca 0.02 -1.45 0.05 0.00 0.00 0.00 0.00 60.65 59.27 1xc3 s ILE 53 Cb -0.01 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1xc3 s ILE 53 CO -0.05 0.01 -0.20 -0.83 0.00 0.00 0.00 174.94 173.87 1xc3 s GLY 54 N -1.72 1.03 -0.18 6.18 0.00 -0.04 -0.27 107.32 112.32 1xc3 s GLY 54 Ca 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 1xc3 s GLY 54 CO 0.04 -0.50 -0.07 -0.42 0.00 0.00 0.00 173.10 172.14 1xc3 s ILE 55 N -0.12 3.33 -0.29 0.90 1.01 0.19 -0.33 121.20 125.89 1xc3 s ILE 55 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1xc3 s ILE 55 Cb -0.11 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1xc3 s ILE 55 CO 0.02 0.47 0.02 -0.83 0.00 0.00 0.00 174.94 174.62 1xc3 s GLY 56 N 0.95 1.74 0.05 6.18 0.00 0.15 -0.98 107.32 115.42 1xc3 s GLY 56 Ca -0.01 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.16 1xc3 s GLY 56 CO 0.00 0.65 -0.12 -0.45 0.00 0.00 0.00 173.10 173.19 1xc3 s SER 57 N 1.35 4.27 0.80 1.64 0.15 -0.37 -0.99 113.70 120.55 1xc3 s SER 57 Ca -0.02 -0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.17 1xc3 s SER 57 Cb -0.18 -0.83 0.08 0.00 -1.71 0.00 0.00 66.02 63.37 1xc3 s SER 57 CO -0.01 0.23 1.20 0.72 1.20 0.00 0.00 173.24 176.59 1xc3 s PHE 58 N -1.06 1.83 0.00 3.44 -0.12 -0.28 -0.57 117.98 121.22 1xc3 s PHE 58 Ca 0.18 1.67 0.00 0.00 -0.05 0.00 0.00 56.93 58.73 1xc3 s PHE 58 Cb -0.11 -3.47 0.00 0.00 -0.63 0.00 0.00 43.02 38.81 1xc3 s PHE 58 CO 0.09 -2.81 0.00 0.41 -0.05 0.00 0.00 175.22 172.86 1xc3 n GLY 59 N 0.43 4.20 3.59 1.99 0.00 -1.26 -4.66 105.19 109.48 1xc3 n GLY 59 Ca 0.13 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1xc3 n GLY 59 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xc3 n PRO 60 N 0.00 1.07 -4.39 1.61 -0.02 -1.24 -4.86 135.00 127.17 1xc3 n PRO 60 Ca 0.00 0.40 -0.20 0.00 -2.02 0.00 0.00 63.50 61.68 1xc3 n PRO 60 Cb 0.00 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1xc3 n PRO 60 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xc3 s VAL 61 N -1.42 1.65 -0.61 -1.45 -7.23 -1.26 -0.60 120.40 109.48 1xc3 s VAL 61 Ca 0.68 -2.16 -0.22 0.00 -1.81 0.00 0.00 61.98 58.48 1xc3 s VAL 61 Cb -0.49 -2.27 0.07 0.00 0.56 0.00 0.00 36.38 34.25 1xc3 s VAL 61 CO 0.53 -0.43 0.86 -0.62 -0.31 0.00 0.00 175.10 175.13 1xc3 s ASP 62 N -3.38 6.20 -0.22 4.85 -1.08 0.07 -4.79 116.67 118.32 1xc3 s ASP 62 Ca 0.26 -0.99 0.15 0.00 -0.52 0.00 0.00 52.55 51.45 1xc3 s ASP 62 Cb 0.02 -2.38 0.67 0.00 -1.46 0.00 0.00 42.92 39.77 1xc3 s ASP 62 CO 0.09 -1.27 1.60 -3.20 0.52 0.00 0.00 175.17 172.91 1xc3 n ASN 63 N 7.17 4.68 -4.50 -0.34 5.15 -1.26 -1.18 115.26 124.98 1xc3 n ASN 63 Ca -0.05 -3.04 -0.43 0.00 -0.60 0.00 0.00 54.58 50.46 1xc3 n ASN 63 Cb 0.45 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 39.01 1xc3 n ASN 63 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xc3 s ASP 64 N -1.42 6.30 0.65 1.20 -1.08 -1.26 -4.94 116.67 116.13 1xc3 s ASP 64 Ca 0.49 -0.48 0.36 0.00 -0.52 0.00 0.00 52.55 52.40 1xc3 s ASP 64 Cb 0.39 -2.33 1.97 0.00 -1.46 0.00 0.00 42.92 41.49 1xc3 s ASP 64 CO 0.12 -0.86 2.15 0.11 0.52 0.00 0.00 175.17 177.21 1xc3 h LYS 65 N 8.96 0.00 -0.00 4.34 1.57 -1.99 0.09 116.57 129.52 1xc3 h LYS 65 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xc3 h LYS 65 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1xc3 h LYS 65 CO 0.93 0.00 -0.54 0.25 -0.57 0.00 0.00 179.45 179.52 1xc3 n THR 66 N -3.18 0.00 -2.72 -0.16 -2.24 -1.26 -4.95 114.28 99.77 1xc3 n THR 66 Ca -0.02 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1xc3 n THR 66 Cb 0.24 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 1xc3 n THR 66 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xc3 s SER 67 N -2.81 6.88 0.43 3.42 0.15 0.02 -4.95 113.70 116.83 1xc3 s SER 67 Ca 0.15 1.82 0.20 0.00 0.70 0.00 0.00 55.95 58.82 1xc3 s SER 67 Cb 0.18 -2.56 0.96 0.00 -1.71 0.00 0.00 66.02 62.89 1xc3 s SER 67 CO 0.68 -0.40 1.88 1.56 1.20 0.00 0.00 173.24 178.16 1xc3 h GLN 68 N 2.21 0.00 -0.62 5.44 1.08 -1.92 -2.61 115.11 118.69 1xc3 h GLN 68 Ca -0.48 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 56.56 1xc3 h GLN 68 Cb 1.20 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.53 1xc3 h GLN 68 CO 0.62 0.28 0.17 0.25 -0.95 0.00 0.00 178.83 179.19 1xc3 n THR 69 N -3.75 2.80 -1.67 -0.54 -2.24 -1.26 -5.01 114.28 102.61 1xc3 n THR 69 Ca -0.01 -1.73 -0.45 0.00 -2.27 0.00 0.00 64.05 59.58 1xc3 n THR 69 Cb 0.38 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1xc3 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xc3 n TYR 70 N -0.18 2.20 -2.02 4.78 9.36 -0.98 -2.77 117.16 127.55 1xc3 n TYR 70 Ca 0.36 0.37 -0.00 0.00 3.32 0.00 0.00 57.90 61.94 1xc3 n TYR 70 Cb 1.27 -2.49 -0.00 0.00 -0.63 0.00 0.00 39.34 37.49 1xc3 n TYR 70 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xc3 n GLY 71 N 2.66 0.37 3.34 2.98 0.00 -0.33 -4.79 105.19 109.42 1xc3 n GLY 71 Ca 0.14 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1xc3 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xc3 s THR 72 N -2.04 1.83 -0.06 2.61 -4.23 -1.11 -1.42 115.64 111.22 1xc3 s THR 72 Ca 0.00 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.26 1xc3 s THR 72 Cb -0.00 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1xc3 s THR 72 CO 0.00 -0.37 0.85 -0.63 -0.54 0.00 0.00 174.62 173.94 1xc3 s ILE 73 N -2.22 4.94 -0.04 2.99 1.01 -1.26 -0.75 121.20 125.86 1xc3 s ILE 73 Ca 0.17 1.76 0.20 0.00 0.00 0.00 0.00 60.65 62.78 1xc3 s ILE 73 Cb -0.05 -4.18 -0.31 0.00 0.01 0.00 0.00 42.46 37.93 1xc3 s ILE 73 CO 0.07 0.17 0.41 0.35 0.00 0.00 0.00 174.94 175.94 1xc3 n THR 74 N 4.01 0.11 -3.69 2.92 -2.24 0.23 -0.20 114.28 115.42 1xc3 n THR 74 Ca 0.03 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1xc3 n THR 74 Cb 0.51 -0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 1xc3 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xc3 s ALA 75 N -3.32 -0.94 -0.24 6.98 0.00 -1.19 -4.80 121.76 118.24 1xc3 s ALA 75 Ca -0.08 1.38 -0.27 0.00 0.00 0.00 0.00 51.96 53.00 1xc3 s ALA 75 Cb 0.12 -0.96 0.13 0.00 0.00 0.00 0.00 23.12 22.42 1xc3 s ALA 75 CO 0.83 -0.38 1.07 -0.08 0.00 0.00 0.00 175.76 177.21 1xc3 s THR 76 N 1.69 0.00 -1.55 0.00 -1.32 -1.26 -3.66 115.64 109.53 1xc3 s THR 76 Ca -0.07 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.69 1xc3 s THR 76 Cb -0.10 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.44 1xc3 s THR 76 CO -0.12 0.00 1.97 -0.81 -2.21 0.00 0.00 174.62 173.45 1xc3 n PRO 77 N 1.62 0.50 -2.58 7.08 -0.04 -1.26 -4.71 135.00 135.60 1xc3 n PRO 77 Ca -0.11 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1xc3 n PRO 77 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1xc3 n PRO 77 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xc3 s LYS 78 N -2.45 4.44 0.15 0.54 1.02 -1.26 -4.96 119.74 117.21 1xc3 s LYS 78 Ca 0.30 1.54 -0.32 0.00 0.02 0.00 0.00 55.97 57.51 1xc3 s LYS 78 Cb 0.19 -3.49 -0.12 0.00 -0.52 0.00 0.00 37.83 33.89 1xc3 s LYS 78 CO 0.40 -0.28 1.77 0.00 -0.92 0.00 0.00 175.35 176.32 1xc3 n ALA 79 N 4.61 2.25 0.00 5.17 0.00 -1.26 -2.55 120.51 128.72 1xc3 n ALA 79 Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1xc3 n ALA 79 Cb 0.48 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1xc3 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc3 n GLY 80 N 4.04 3.11 0.13 0.00 0.00 -1.26 -4.64 105.19 106.57 1xc3 n GLY 80 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1xc3 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xc3 h TRP 81 N 0.00 0.70 -2.59 1.61 4.06 -1.87 -3.39 115.95 114.47 1xc3 h TRP 81 Ca 0.00 -0.48 -0.52 0.00 2.06 0.00 0.00 58.89 59.95 1xc3 h TRP 81 Cb 0.00 -0.04 0.05 0.00 -1.00 0.00 0.00 29.16 28.17 1xc3 h TRP 81 CO 0.00 1.35 1.07 0.50 -3.56 0.00 0.00 178.44 177.80 1xc3 s ARG 82 N -2.78 4.13 0.00 0.49 3.52 -1.26 -2.02 118.95 121.02 1xc3 s ARG 82 Ca -0.06 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 1xc3 s ARG 82 Cb 0.06 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1xc3 s ARG 82 CO 0.90 -0.80 0.00 0.72 -0.81 0.00 0.00 175.30 175.31 1xc3 n HIS 83 N 4.99 0.00 -1.97 5.12 8.25 0.72 -4.99 115.22 127.34 1xc3 n HIS 83 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1xc3 n HIS 83 Cb 0.37 -1.17 -0.03 0.00 1.12 0.00 0.00 29.99 30.28 1xc3 n HIS 83 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1xc3 s TYR 84 N -1.64 3.07 -0.77 4.41 5.04 -0.86 -4.87 117.35 121.74 1xc3 s TYR 84 Ca 0.00 0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 55.14 1xc3 s TYR 84 Cb 0.00 -3.89 -0.12 0.00 0.35 0.00 0.00 41.96 38.30 1xc3 s TYR 84 CO 0.00 -3.26 1.94 -0.35 -1.34 0.00 0.00 175.55 172.55 1xc3 n PRO 85 N 4.02 1.59 0.31 4.97 -0.04 -1.26 -4.32 135.00 140.28 1xc3 n PRO 85 Ca 0.13 -1.64 -0.14 0.00 -0.04 0.00 0.00 63.50 61.81 1xc3 n PRO 85 Cb 0.39 -2.72 -0.07 0.00 -0.04 0.00 0.00 33.50 31.06 1xc3 n PRO 85 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1xc3 h PHE 86 N 7.44 -0.92 -0.18 0.54 -0.00 -1.89 -0.53 116.94 121.40 1xc3 h PHE 86 Ca 0.43 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.42 1xc3 h PHE 86 Cb 0.48 0.33 -0.03 0.00 -0.00 0.00 0.00 35.95 36.72 1xc3 h PHE 86 CO 1.50 -0.52 -0.03 1.25 -0.00 0.00 0.00 178.31 180.50 1xc3 h LEU 87 N -0.86 -0.15 -0.82 0.59 5.85 -1.54 -2.49 115.31 115.89 1xc3 h LEU 87 Ca -0.08 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1xc3 h LEU 87 Cb 0.69 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1xc3 h LEU 87 CO 0.08 -0.05 0.29 -0.61 -0.34 0.00 0.00 178.44 177.81 1xc3 h GLN 88 N 0.01 1.16 -0.51 1.25 5.75 -1.79 -0.70 115.11 120.28 1xc3 h GLN 88 Ca 0.09 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1xc3 h GLN 88 Cb 0.13 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1xc3 h GLN 88 CO -0.18 0.95 0.33 1.15 -2.65 0.00 0.00 178.83 178.43 1xc3 h THR 89 N 1.12 1.11 -0.50 2.39 2.02 -0.95 0.17 112.91 118.27 1xc3 h THR 89 Ca 0.25 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1xc3 h THR 89 Cb 0.24 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1xc3 h THR 89 CO -0.02 0.12 0.07 0.58 0.37 0.00 0.00 175.52 176.64 1xc3 h VAL 90 N 0.67 1.25 -0.33 3.16 2.07 -1.02 -1.84 116.25 120.22 1xc3 h VAL 90 Ca 0.19 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1xc3 h VAL 90 Cb -0.05 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1xc3 h VAL 90 CO -0.06 0.34 0.15 0.11 0.02 0.00 0.00 177.57 178.14 1xc3 h LYS 91 N 0.71 0.31 -0.81 1.57 1.57 -0.90 -1.09 116.57 117.92 1xc3 h LYS 91 Ca 0.15 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1xc3 h LYS 91 Cb 0.42 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1xc3 h LYS 91 CO 0.01 0.20 0.35 -0.91 -0.57 0.00 0.00 179.45 178.54 1xc3 h ASN 92 N 0.32 1.10 0.49 0.86 2.35 -0.82 0.15 115.58 120.02 1xc3 h ASN 92 Ca 0.14 -0.15 -0.24 0.00 -0.55 0.00 0.00 56.30 55.50 1xc3 h ASN 92 Cb 0.07 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1xc3 h ASN 92 CO -0.11 0.95 -1.04 -0.33 -1.65 0.00 0.00 177.43 175.25 1xc3 h GLU 93 N 1.17 0.32 0.00 0.81 4.39 -1.21 -3.37 114.58 116.70 1xc3 h GLU 93 Ca 0.27 -0.41 -0.22 0.00 0.34 0.00 0.00 59.36 59.34 1xc3 h GLU 93 Cb 0.18 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1xc3 h GLU 93 CO -0.03 1.12 -2.18 -1.33 -1.16 0.00 0.00 179.01 175.43 1xc3 n MET 94 N -3.65 0.67 -3.92 2.33 2.81 -0.43 -5.00 117.12 109.93 1xc3 n MET 94 Ca -0.07 -0.07 -0.30 0.00 -1.81 0.00 0.00 57.70 55.46 1xc3 n MET 94 Cb 0.90 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 31.89 1xc3 n MET 94 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1xc3 n LYS 95 N -2.58 -5.20 -4.21 0.03 5.02 0.50 -4.98 118.16 106.74 1xc3 n LYS 95 Ca -0.21 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1xc3 n LYS 95 Cb 0.92 -5.39 -0.10 0.00 -0.02 0.00 0.00 35.03 30.43 1xc3 n LYS 95 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1xc3 s ILE 96 N -3.36 0.28 0.30 -0.18 -4.36 -1.26 -5.12 121.20 107.50 1xc3 s ILE 96 Ca 0.58 -1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 58.71 1xc3 s ILE 96 Cb -0.29 -2.26 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 1xc3 s ILE 96 CO 0.84 -0.29 1.42 -2.65 0.24 0.00 0.00 174.94 174.50 1xc3 n PRO 97 N -0.23 2.29 -3.90 0.37 -0.02 -1.26 -4.85 135.00 127.40 1xc3 n PRO 97 Ca -0.03 0.81 -0.28 0.00 -2.02 0.00 0.00 63.50 61.98 1xc3 n PRO 97 Cb 0.64 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 1xc3 n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xc3 s VAL 98 N -0.52 1.10 0.45 -1.45 1.01 -1.26 -1.21 120.40 118.52 1xc3 s VAL 98 Ca 0.61 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1xc3 s VAL 98 Cb -0.57 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1xc3 s VAL 98 CO 0.55 0.24 0.83 -0.83 0.00 0.00 0.00 175.10 175.90 1xc3 s GLY 99 N 1.65 1.92 -0.05 4.51 0.00 0.63 -4.96 107.32 111.02 1xc3 s GLY 99 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 1xc3 s GLY 99 CO -0.08 0.08 0.13 -0.12 0.00 0.00 0.00 173.10 173.11 1xc3 s PHE 100 N -2.51 -0.14 0.23 1.90 5.36 -1.26 -0.64 117.98 120.91 1xc3 s PHE 100 Ca 0.53 0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 56.74 1xc3 s PHE 100 Cb -0.10 0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 1xc3 s PHE 100 CO 0.34 -0.08 0.63 0.45 -1.46 0.00 0.00 175.22 175.09 1xc3 n SER 101 N 3.18 -1.49 -4.81 6.13 2.88 -0.15 -4.96 113.62 114.40 1xc3 n SER 101 Ca -0.14 -1.95 -0.31 0.00 -1.33 0.00 0.00 58.87 55.14 1xc3 n SER 101 Cb 0.58 2.46 0.07 0.00 -0.75 0.00 0.00 64.21 66.57 1xc3 n SER 101 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1xc3 s THR 102 N -2.30 3.62 0.22 2.46 -4.23 -1.26 -1.24 115.64 112.90 1xc3 s THR 102 Ca 0.13 0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1xc3 s THR 102 Cb -0.03 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.76 1xc3 s THR 102 CO 0.07 -0.69 1.85 -2.24 -0.54 0.00 0.00 174.62 173.07 1xc3 h ASP 103 N -0.90 1.02 0.43 3.99 3.04 -1.01 -2.19 116.42 120.80 1xc3 h ASP 103 Ca -0.45 -0.08 -0.15 0.00 -3.24 0.00 0.00 57.03 53.11 1xc3 h ASP 103 Cb 1.23 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 39.25 1xc3 h ASP 103 CO 0.57 0.81 -0.62 -0.37 -2.04 0.00 0.00 179.24 177.58 1xc3 h VAL 104 N 1.16 1.41 -0.56 4.15 -1.51 -1.92 -2.41 116.25 116.57 1xc3 h VAL 104 Ca 0.30 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.72 1xc3 h VAL 104 Cb -0.01 2.06 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 1xc3 h VAL 104 CO -0.05 0.60 0.35 0.78 -1.23 0.00 0.00 177.57 178.02 1xc3 h ASN 105 N 0.13 0.66 -0.69 4.19 2.35 -1.81 -0.84 115.58 119.57 1xc3 h ASN 105 Ca -0.01 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1xc3 h ASN 105 Cb 1.13 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 1xc3 h ASN 105 CO 0.09 0.51 0.40 0.00 -1.65 0.00 0.00 177.43 176.79 1xc3 h ALA 106 N 1.18 0.88 -0.82 -0.83 0.00 -1.19 -1.31 119.26 117.18 1xc3 h ALA 106 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xc3 h ALA 106 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1xc3 h ALA 106 CO -0.04 0.37 0.37 0.00 0.00 0.00 0.00 179.25 179.95 1xc3 h ALA 107 N 1.21 1.10 -0.48 0.00 0.00 -1.19 -0.54 119.26 119.36 1xc3 h ALA 107 Ca 0.25 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xc3 h ALA 107 Cb -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1xc3 h ALA 107 CO -0.04 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.11 1xc3 h ALA 108 N 1.22 0.60 -0.66 0.00 0.00 -0.78 -1.26 119.26 118.38 1xc3 h ALA 108 Ca 0.28 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xc3 h ALA 108 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xc3 h ALA 108 CO -0.03 -0.11 0.22 -0.07 0.00 0.00 0.00 179.25 179.26 1xc3 h LEU 109 N 0.48 0.95 -0.00 0.00 3.38 -0.65 0.18 115.31 119.63 1xc3 h LEU 109 Ca 0.21 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xc3 h LEU 109 Cb 0.11 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1xc3 h LEU 109 CO -0.14 0.90 -0.40 1.23 0.09 0.00 0.00 178.44 180.11 1xc3 h GLY 110 N 0.95 -0.73 1.97 0.83 0.00 -0.85 -0.20 103.07 105.04 1xc3 h GLY 110 Ca 0.21 0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.96 1xc3 h GLY 110 CO -0.01 -0.24 -0.33 0.83 0.00 0.00 0.00 176.54 176.78 1xc3 h GLU 111 N -0.56 0.03 -0.38 4.80 4.39 -0.98 0.03 114.58 121.92 1xc3 h GLU 111 Ca 0.05 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 1xc3 h GLU 111 Cb 0.64 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1xc3 h GLU 111 CO -0.31 0.37 -0.33 0.35 -1.16 0.00 0.00 179.01 177.93 1xc3 h PHE 112 N 0.03 1.06 0.09 4.33 3.57 -0.36 0.54 116.94 126.21 1xc3 h PHE 112 Ca 0.00 -0.31 -0.31 0.00 3.53 0.00 0.00 57.97 60.89 1xc3 h PHE 112 Cb 0.61 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1xc3 h PHE 112 CO 0.00 1.12 -1.60 -0.07 -2.23 0.00 0.00 178.31 175.53 1xc3 h LEU 113 N 0.70 0.31 -0.36 0.59 4.07 -0.89 -3.14 115.31 116.59 1xc3 h LEU 113 Ca 0.07 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1xc3 h LEU 113 Cb 0.92 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1xc3 h LEU 113 CO 0.08 1.41 0.00 0.49 -1.08 0.00 0.00 178.44 179.34 1xc3 n PHE 114 N -3.38 0.00 -0.28 1.13 3.72 -0.02 -4.81 117.46 113.83 1xc3 n PHE 114 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1xc3 n PHE 114 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 1xc3 n PHE 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xc3 n GLY 115 N 0.03 5.24 0.10 1.37 0.00 0.12 -4.82 105.19 107.22 1xc3 n GLY 115 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.57 1xc3 n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xc3 n GLU 116 N 0.00 0.13 -0.19 1.61 -0.58 -1.17 -2.19 120.64 118.25 1xc3 n GLU 116 Ca 0.00 0.43 0.06 0.00 -0.42 0.00 0.00 57.16 57.24 1xc3 n GLU 116 Cb 0.00 -1.78 0.17 0.00 -0.57 0.00 0.00 31.44 29.26 1xc3 n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xc3 n ALA 117 N -1.69 2.22 -1.71 0.62 0.00 -0.81 -4.96 120.51 114.18 1xc3 n ALA 117 Ca 0.02 -1.13 -0.43 0.00 0.00 0.00 0.00 53.44 51.89 1xc3 n ALA 117 Cb 0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1xc3 n ALA 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xc3 n LYS 118 N 0.67 2.49 0.00 0.00 4.81 -0.93 -1.08 118.16 124.12 1xc3 n LYS 118 Ca 0.13 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1xc3 n LYS 118 Cb 0.44 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1xc3 n LYS 118 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xc3 n GLY 119 N 2.87 2.45 3.97 3.14 0.00 -1.26 -5.03 105.19 111.33 1xc3 n GLY 119 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1xc3 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xc3 s LEU 120 N 0.00 3.77 0.00 0.99 1.43 -0.24 -5.02 118.68 119.61 1xc3 s LEU 120 Ca 0.00 0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1xc3 s LEU 120 Cb 0.00 -2.94 0.26 0.00 0.03 0.00 0.00 46.19 43.54 1xc3 s LEU 120 CO 0.00 -0.61 1.20 -0.90 0.23 0.00 0.00 176.35 176.27 1xc3 n ASP 121 N -1.89 2.75 -3.79 2.29 5.68 -1.26 -4.91 116.55 115.42 1xc3 n ASP 121 Ca 0.01 -1.95 -0.13 0.00 -0.50 0.00 0.00 54.79 52.22 1xc3 n ASP 121 Cb 0.58 -0.19 -0.11 0.00 -1.14 0.00 0.00 41.12 40.25 1xc3 n ASP 121 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1xc3 s SER 122 N -0.99 -0.23 0.21 -1.12 0.15 -1.26 -0.55 113.70 109.91 1xc3 s SER 122 Ca 0.20 0.43 -0.23 0.00 0.70 0.00 0.00 55.95 57.05 1xc3 s SER 122 Cb 0.11 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1xc3 s SER 122 CO 0.14 -0.11 0.87 0.00 1.20 0.00 0.00 173.24 175.34 1xc3 s LEU 124 N -2.95 0.70 -0.21 0.00 2.96 -0.08 -0.84 118.68 118.26 1xc3 s LEU 124 Ca 0.12 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1xc3 s LEU 124 Cb -0.03 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 1xc3 s LEU 124 CO 0.04 -0.17 0.04 -0.47 -1.32 0.00 0.00 176.35 174.47 1xc3 s TYR 125 N 1.77 3.10 -0.10 5.38 5.04 0.18 -0.24 117.35 132.48 1xc3 s TYR 125 Ca 0.02 -0.30 0.03 0.00 -2.44 0.00 0.00 57.07 54.37 1xc3 s TYR 125 Cb -0.13 -2.14 -0.00 0.00 0.35 0.00 0.00 41.96 40.04 1xc3 s TYR 125 CO -0.04 -0.18 -0.22 0.42 -1.34 0.00 0.00 175.55 174.19 1xc3 s ILE 126 N 1.05 2.29 -0.15 3.14 1.01 0.49 -0.90 121.20 128.13 1xc3 s ILE 126 Ca 0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 1xc3 s ILE 126 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1xc3 s ILE 126 CO 0.02 0.55 0.10 0.28 0.00 0.00 0.00 174.94 175.89 1xc3 s THR 127 N 0.30 5.12 -0.28 2.92 -1.32 -0.12 -0.41 115.64 121.84 1xc3 s THR 127 Ca -0.16 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.41 1xc3 s THR 127 Cb -0.17 -3.27 0.08 0.00 -1.51 0.00 0.00 72.50 67.63 1xc3 s THR 127 CO 0.08 0.53 0.00 -0.63 -2.21 0.00 0.00 174.62 172.39 1xc3 s ILE 128 N -0.31 1.67 0.00 5.08 1.01 0.66 -2.66 121.20 126.65 1xc3 s ILE 128 Ca 0.10 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.13 1xc3 s ILE 128 Cb -0.12 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1xc3 s ILE 128 CO 0.01 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.21 1xc3 n GLY 129 N 4.56 3.07 0.31 6.18 0.00 -1.26 -1.24 105.19 116.81 1xc3 n GLY 129 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1xc3 n GLY 129 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xc3 h THR 130 N 0.00 1.13 -4.39 2.61 2.02 -1.95 0.51 112.91 112.83 1xc3 h THR 130 Ca 0.00 -0.27 -0.50 0.00 0.77 0.00 0.00 66.41 66.40 1xc3 h THR 130 Cb 0.00 0.46 -0.13 0.00 -1.74 0.00 0.00 68.15 66.74 1xc3 h THR 130 CO 0.00 0.13 -0.49 -0.83 0.37 0.00 0.00 175.52 174.70 1xc3 s GLY 131 N -3.64 2.45 -0.10 2.16 0.00 -1.26 -4.57 107.32 102.37 1xc3 s GLY 131 Ca -0.09 -1.87 0.04 0.00 0.00 0.00 0.00 44.72 42.80 1xc3 s GLY 131 CO 0.74 -1.56 -0.22 -0.42 0.00 0.00 0.00 173.10 171.64 1xc3 s ILE 132 N -3.36 1.94 0.10 0.90 1.01 -1.26 -4.33 121.20 116.19 1xc3 s ILE 132 Ca 0.37 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1xc3 s ILE 132 Cb 0.02 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1xc3 s ILE 132 CO 0.25 0.53 0.26 -0.83 0.00 0.00 0.00 174.94 175.15 1xc3 s GLY 133 N 0.45 -0.03 0.00 6.18 0.00 -1.09 -3.70 107.32 109.13 1xc3 s GLY 133 Ca -0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 1xc3 s GLY 133 CO 0.07 -0.62 0.03 0.00 0.00 0.00 0.00 173.10 172.58 1xc3 s ALA 134 N -3.74 -0.05 -0.01 3.20 0.00 -1.26 -0.95 121.76 118.96 1xc3 s ALA 134 Ca 0.04 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.82 1xc3 s ALA 134 Cb 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1xc3 s ALA 134 CO -0.11 -0.12 -0.22 0.20 0.00 0.00 0.00 175.76 175.52 1xc3 s GLY 135 N -0.91 1.06 0.01 0.00 0.00 -0.08 -4.71 107.32 102.70 1xc3 s GLY 135 Ca -0.10 -0.95 0.07 0.00 0.00 0.00 0.00 44.72 43.75 1xc3 s GLY 135 CO -0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 173.10 172.08 1xc3 s ALA 136 N -0.54 1.86 -0.15 3.20 0.00 -1.26 -0.65 121.76 124.22 1xc3 s ALA 136 Ca 0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1xc3 s ALA 136 Cb -0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1xc3 s ALA 136 CO -0.00 0.44 -0.05 0.42 0.00 0.00 0.00 175.76 176.56 1xc3 s ILE 137 N -0.65 3.75 -0.09 0.00 -1.09 -0.02 -0.55 121.20 122.54 1xc3 s ILE 137 Ca 0.09 -0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 58.10 1xc3 s ILE 137 Cb -0.09 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 1xc3 s ILE 137 CO 0.00 0.50 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.46 1xc3 s VAL 138 N 0.36 0.86 -1.55 2.92 1.01 0.52 -2.33 120.40 122.18 1xc3 s VAL 138 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1xc3 s VAL 138 Cb -0.14 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.43 1xc3 s VAL 138 CO 0.03 0.33 0.76 -0.62 0.00 0.00 0.00 175.10 175.61 1xc3 n GLU 139 N 4.71 -4.10 -0.99 2.72 -0.58 -0.76 -1.54 120.64 120.10 1xc3 n GLU 139 Ca -0.14 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1xc3 n GLU 139 Cb 0.50 -5.11 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 1xc3 n GLU 139 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xc3 n GLY 140 N -1.64 0.71 3.07 0.62 0.00 0.28 -5.02 105.19 103.23 1xc3 n GLY 140 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1xc3 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xc3 s ARG 141 N -0.08 0.72 0.28 1.61 1.81 -0.59 -5.09 118.95 117.60 1xc3 s ARG 141 Ca 0.00 -0.58 -0.30 0.00 -1.72 0.00 0.00 55.73 53.13 1xc3 s ARG 141 Cb 0.00 -0.66 -0.13 0.00 -0.45 0.00 0.00 34.95 33.72 1xc3 s ARG 141 CO 0.00 0.16 1.41 1.28 -0.68 0.00 0.00 175.30 177.47 1xc3 n LEU 142 N 2.15 3.46 -4.64 2.53 4.77 -1.26 -0.36 117.00 123.65 1xc3 n LEU 142 Ca -0.17 1.16 -0.43 0.00 -0.03 0.00 0.00 56.01 56.54 1xc3 n LEU 142 Cb 0.56 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1xc3 n LEU 142 CO 0.23 -0.37 1.17 -0.22 -1.33 0.00 0.00 177.39 176.87 1xc3 s LEU 143 N -0.32 4.03 -0.30 2.23 2.96 0.28 -4.82 118.68 122.74 1xc3 s LEU 143 Ca 0.64 1.54 -0.01 0.00 -0.22 0.00 0.00 54.13 56.08 1xc3 s LEU 143 Cb -0.60 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 42.69 1xc3 s LEU 143 CO 0.53 -0.97 0.27 -1.58 -1.32 0.00 0.00 176.35 173.28 1xc3 s GLN 144 N 3.97 0.35 0.00 1.98 2.00 -1.26 -4.50 119.66 122.19 1xc3 s GLN 144 Ca 0.59 -0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.60 1xc3 s GLN 144 Cb -0.21 -0.78 0.00 0.00 0.80 0.00 0.00 33.01 32.82 1xc3 s GLN 144 CO 0.21 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.35 1xc3 n GLY 145 N 5.12 0.57 0.36 2.59 0.00 -1.26 -4.88 105.19 107.68 1xc3 n GLY 145 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1xc3 n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xc3 h LEU 146 N 0.00 1.03 -8.51 0.99 5.85 -2.03 -3.44 115.31 109.20 1xc3 h LEU 146 Ca 0.00 -0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1xc3 h LEU 146 Cb 0.00 -0.26 -0.15 0.00 0.37 0.00 0.00 40.66 40.62 1xc3 h LEU 146 CO 0.00 0.80 -0.65 -0.55 -0.34 0.00 0.00 178.44 177.70 1xc3 s SER 147 N -6.28 0.57 0.74 1.25 0.15 -1.26 -4.98 113.70 103.89 1xc3 s SER 147 Ca -0.12 -1.21 -0.15 0.00 0.70 0.00 0.00 55.95 55.17 1xc3 s SER 147 Cb 0.17 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1xc3 s SER 147 CO 0.81 -0.69 1.20 -1.38 1.20 0.00 0.00 173.24 174.38 1xc3 s HIS 148 N -3.94 2.06 0.88 3.44 -3.43 -1.26 -4.67 115.29 108.36 1xc3 s HIS 148 Ca 0.25 1.61 -0.10 0.00 -0.80 0.00 0.00 55.06 56.01 1xc3 s HIS 148 Cb 0.07 -3.45 0.12 0.00 -1.43 0.00 0.00 32.58 27.89 1xc3 s HIS 148 CO 0.03 -2.58 1.13 -2.14 -2.00 0.00 0.00 174.74 169.18 1xc3 s PRO 149 N -3.96 1.34 -0.43 -0.38 0.02 -1.26 -4.97 135.00 125.36 1xc3 s PRO 149 Ca 0.74 1.44 0.09 0.00 0.02 0.00 0.00 61.00 63.29 1xc3 s PRO 149 Cb -0.28 -1.77 0.30 0.00 0.02 0.00 0.00 34.50 32.76 1xc3 s PRO 149 CO 0.46 -2.37 0.68 0.39 -0.33 0.00 0.00 177.00 175.83 1xc3 n GLU 150 N -4.05 1.32 0.21 5.54 -0.58 -1.26 -4.83 120.64 116.99 1xc3 n GLU 150 Ca 0.11 -3.64 0.15 0.00 -0.42 0.00 0.00 57.16 53.35 1xc3 n GLU 150 Cb 0.52 -1.65 0.63 0.00 -0.57 0.00 0.00 31.44 30.37 1xc3 n GLU 150 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1xc3 h MET 151 N 3.51 0.00 0.00 3.49 2.86 -1.87 -2.51 114.93 120.40 1xc3 h MET 151 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1xc3 h MET 151 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1xc3 h MET 151 CO 0.56 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.94 1xc3 n GLY 152 N -0.17 -1.38 1.36 8.32 0.00 -1.24 -3.51 105.19 108.57 1xc3 n GLY 152 Ca 0.01 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1xc3 n GLY 152 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xc3 n HIS 153 N -2.09 1.26 -2.46 1.61 8.25 -0.95 -0.28 115.22 120.56 1xc3 n HIS 153 Ca 0.04 -0.62 -0.36 0.00 -0.26 0.00 0.00 57.72 56.51 1xc3 n HIS 153 Cb 0.29 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1xc3 n HIS 153 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1xc3 s ILE 154 N -1.80 3.56 0.21 1.59 -4.36 -1.23 -4.66 121.20 114.51 1xc3 s ILE 154 Ca 0.46 1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 61.68 1xc3 s ILE 154 Cb 0.30 -3.55 -0.08 0.00 1.25 0.00 0.00 42.46 40.37 1xc3 s ILE 154 CO 0.22 -0.05 1.09 -0.31 0.24 0.00 0.00 174.94 176.13 1xc3 s TYR 155 N -1.70 3.62 0.37 1.37 1.51 -1.26 -0.46 117.35 120.80 1xc3 s TYR 155 Ca 0.62 1.65 0.05 0.00 -1.01 0.00 0.00 57.07 58.38 1xc3 s TYR 155 Cb -0.23 -3.25 -0.07 0.00 -0.11 0.00 0.00 41.96 38.30 1xc3 s TYR 155 CO 0.28 -0.50 0.03 0.96 -1.11 0.00 0.00 175.55 175.21 1xc3 s ILE 156 N -0.56 1.59 -0.00 2.71 -4.36 -1.26 -4.88 121.20 114.43 1xc3 s ILE 156 Ca 0.47 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.56 1xc3 s ILE 156 Cb -0.30 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.48 1xc3 s ILE 156 CO 0.36 0.00 1.35 -0.13 0.24 0.00 0.00 174.94 176.76 1xc3 s ARG 157 N -3.80 4.31 0.32 0.37 1.81 -1.26 -4.96 118.95 115.73 1xc3 s ARG 157 Ca 0.35 1.89 -0.29 0.00 -1.72 0.00 0.00 55.73 55.97 1xc3 s ARG 157 Cb 0.09 -3.54 -0.11 0.00 -0.45 0.00 0.00 34.95 30.94 1xc3 s ARG 157 CO 0.17 -0.53 1.48 1.03 -0.68 0.00 0.00 175.30 176.77 1xc3 s ARG 158 N 2.24 4.19 0.10 3.54 0.52 -1.26 -4.96 118.95 123.31 1xc3 s ARG 158 Ca 0.62 2.46 -0.31 0.00 -0.52 0.00 0.00 55.73 57.97 1xc3 s ARG 158 Cb -0.30 -3.03 -0.08 0.00 0.52 0.00 0.00 34.95 32.06 1xc3 s ARG 158 CO 0.26 -0.48 1.50 -1.58 0.02 0.00 0.00 175.30 175.01 1xc3 s HIS 159 N -0.55 2.97 0.55 -0.53 5.65 -1.26 -4.91 115.29 117.20 1xc3 s HIS 159 Ca 0.57 0.71 0.25 0.00 0.25 0.00 0.00 55.06 56.84 1xc3 s HIS 159 Cb -0.45 -3.81 1.44 0.00 -1.18 0.00 0.00 32.58 28.59 1xc3 s HIS 159 CO 0.53 -2.99 2.02 -1.00 -0.65 0.00 0.00 174.74 172.65 1xc3 h PRO 160 N 7.26 0.00 0.00 2.88 0.13 -2.06 -0.27 132.00 139.94 1xc3 h PRO 160 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1xc3 h PRO 160 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xc3 h PRO 160 CO 0.90 0.00 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.11 1xc3 h ASP 161 N 0.00 0.00 -3.17 1.44 3.32 -2.04 -3.46 116.42 112.52 1xc3 h ASP 161 Ca 0.19 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.67 1xc3 h ASP 161 Cb 0.82 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 1xc3 h ASP 161 CO -0.00 0.00 0.67 -0.62 -1.72 0.00 0.00 179.24 177.58 1xc3 s ASP 162 N -5.73 7.17 -0.04 6.45 2.15 -0.11 -4.92 116.67 121.63 1xc3 s ASP 162 Ca 0.07 1.50 0.20 0.00 0.43 0.00 0.00 52.55 54.75 1xc3 s ASP 162 Cb 0.07 -2.55 -0.25 0.00 -0.30 0.00 0.00 42.92 39.89 1xc3 s ASP 162 CO 0.67 -0.55 0.47 0.52 -0.17 0.00 0.00 175.17 176.10 1xc3 n VAL 163 N 4.87 0.64 -1.67 1.11 0.31 -1.26 -4.82 118.33 117.50 1xc3 n VAL 163 Ca 0.10 -0.64 -0.45 0.00 -0.01 0.00 0.00 64.34 63.35 1xc3 n VAL 163 Cb 0.47 -0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 33.10 1xc3 n VAL 163 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xc3 n TYR 164 N -2.53 2.19 0.16 3.52 9.36 -1.26 -4.92 117.16 123.67 1xc3 n TYR 164 Ca -0.13 0.42 0.07 0.00 3.32 0.00 0.00 57.90 61.58 1xc3 n TYR 164 Cb 0.78 -2.47 0.07 0.00 -0.63 0.00 0.00 39.34 37.09 1xc3 n TYR 164 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1xc3 h GLN 165 N 4.38 0.00 0.00 2.98 -0.00 -1.95 -3.50 115.11 117.02 1xc3 h GLN 165 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1xc3 h GLN 165 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1xc3 h GLN 165 CO 0.77 0.24 0.00 0.41 -0.00 0.00 0.00 178.83 180.25 1xc3 n GLY 166 N 1.19 2.94 0.19 0.06 0.00 -1.26 -3.63 105.19 104.67 1xc3 n GLY 166 Ca 0.02 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.65 1xc3 n GLY 166 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xc3 h LYS 167 N 0.00 0.00 -6.24 1.61 1.63 -1.04 -3.44 116.57 109.09 1xc3 h LYS 167 Ca 0.00 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.25 1xc3 h LYS 167 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1xc3 h LYS 167 CO 0.00 0.15 0.99 0.00 -3.45 0.00 0.00 179.45 177.14 1xc3 h PRO 169 N 8.82 0.00 0.06 0.00 0.13 -1.91 0.17 132.00 139.28 1xc3 h PRO 169 Ca -0.35 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.48 1xc3 h PRO 169 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1xc3 h PRO 169 CO 0.95 0.01 -1.66 0.66 -0.23 0.00 0.00 178.00 177.73 1xc3 n TYR 170 N -3.11 1.13 0.04 1.56 4.02 -1.26 -4.76 117.16 114.77 1xc3 n TYR 170 Ca -0.01 0.34 0.02 0.00 -0.01 0.00 0.00 57.90 58.24 1xc3 n TYR 170 Cb 0.21 -1.13 -0.02 0.00 -0.02 0.00 0.00 39.34 38.37 1xc3 n TYR 170 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1xc3 n HIS 171 N -3.95 0.00 0.00 -0.72 8.25 -1.16 -5.06 115.22 112.59 1xc3 n HIS 171 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1xc3 n HIS 171 Cb 0.87 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1xc3 n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xc3 n GLY 172 N 1.99 2.13 2.48 -1.41 0.00 0.58 -4.35 105.19 106.61 1xc3 n GLY 172 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1xc3 n GLY 172 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xc3 n ASP 173 N 5.91 6.98 -3.73 1.61 5.75 -1.24 -2.29 116.55 129.54 1xc3 n ASP 173 Ca 0.00 -3.79 -0.30 0.00 -0.01 0.00 0.00 54.79 50.69 1xc3 n ASP 173 Cb 0.00 -0.87 0.24 0.00 -1.03 0.00 0.00 41.12 39.47 1xc3 n ASP 173 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xc3 h PHE 175 N -2.60 -0.46 -0.62 0.00 3.57 -0.81 -0.62 116.94 115.39 1xc3 h PHE 175 Ca -0.44 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.13 1xc3 h PHE 175 Cb 1.29 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 1xc3 h PHE 175 CO -2.35 -0.26 0.38 1.49 -2.23 0.00 0.00 178.31 175.34 1xc3 h GLU 176 N -0.17 0.71 -0.52 1.11 4.81 -0.93 0.15 114.58 119.74 1xc3 h GLU 176 Ca 0.14 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1xc3 h GLU 176 Cb 0.38 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1xc3 h GLU 176 CO -0.36 0.47 0.35 0.78 -0.73 0.00 0.00 179.01 179.52 1xc3 h GLY 177 N 0.74 0.65 0.72 1.92 0.00 -1.53 -2.07 103.07 103.49 1xc3 h GLY 177 Ca 0.25 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1xc3 h GLY 177 CO -0.11 0.19 -1.52 1.04 0.00 0.00 0.00 176.54 176.14 1xc3 n LEU 178 N -4.47 0.62 0.00 3.11 4.77 -0.31 -1.09 117.00 119.62 1xc3 n LEU 178 Ca 0.06 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1xc3 n LEU 178 Cb 0.17 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1xc3 n LEU 178 CO 0.35 0.07 0.19 0.00 -1.33 0.00 0.00 177.39 176.67 1xc3 n ALA 179 N -2.36 1.06 -1.27 -1.18 0.00 -0.00 -4.63 120.51 112.14 1xc3 n ALA 179 Ca -0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 1xc3 n ALA 179 Cb 0.76 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.35 1xc3 n ALA 179 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xc3 s SER 180 N -0.14 3.40 0.09 0.00 1.04 -0.79 -4.82 113.70 112.48 1xc3 s SER 180 Ca 0.00 1.35 -0.23 0.00 0.48 0.00 0.00 55.95 57.55 1xc3 s SER 180 Cb 0.00 -2.03 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 1xc3 s SER 180 CO 0.00 -2.66 1.38 1.23 0.98 0.00 0.00 173.24 174.16 1xc3 h GLY 181 N -1.57 -1.28 0.75 7.32 0.00 -0.24 -0.86 103.07 107.19 1xc3 h GLY 181 Ca -0.50 0.72 0.17 0.00 0.00 0.00 0.00 47.33 47.73 1xc3 h GLY 181 CO 0.56 -0.32 0.46 -2.55 0.00 0.00 0.00 176.54 174.69 1xc3 h PRO 182 N -0.33 0.00 -0.20 4.80 0.11 -1.81 -1.08 132.00 133.49 1xc3 h PRO 182 Ca 0.04 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 1xc3 h PRO 182 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1xc3 h PRO 182 CO -0.36 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 177.05 1xc3 h ALA 183 N 1.65 0.32 -0.10 -0.75 0.00 -1.73 -2.03 119.26 116.62 1xc3 h ALA 183 Ca 0.29 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xc3 h ALA 183 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xc3 h ALA 183 CO -0.00 0.39 0.02 0.82 0.00 0.00 0.00 179.25 180.48 1xc3 h ILE 184 N 0.28 0.95 0.29 0.00 2.04 0.02 -1.74 117.51 119.35 1xc3 h ILE 184 Ca 0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xc3 h ILE 184 Cb 0.97 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1xc3 h ILE 184 CO 0.08 0.01 -0.17 -0.08 0.00 0.00 0.00 178.15 178.00 1xc3 h GLU 185 N 0.06 -0.41 0.00 2.37 4.81 -1.33 -1.28 114.58 118.80 1xc3 h GLU 185 Ca 0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1xc3 h GLU 185 Cb 0.04 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1xc3 h GLU 185 CO -0.06 -0.28 -0.08 0.00 -0.73 0.00 0.00 179.01 177.86 1xc3 h ALA 186 N 0.27 1.66 -0.00 2.92 0.00 -1.36 0.20 119.26 122.95 1xc3 h ALA 186 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xc3 h ALA 186 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xc3 h ALA 186 CO 0.04 0.10 -0.04 -0.09 0.00 0.00 0.00 179.25 179.26 1xc3 h ARG 187 N 0.00 0.03 -0.01 0.00 2.43 -0.99 -3.38 114.38 112.46 1xc3 h ARG 187 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xc3 h ARG 187 Cb 0.17 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1xc3 h ARG 187 CO 0.01 0.79 -0.56 0.91 -1.51 0.00 0.00 179.97 179.62 1xc3 n TRP 188 N -4.68 0.00 -0.91 2.20 7.02 -0.51 -4.97 117.44 115.58 1xc3 n TRP 188 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1xc3 n TRP 188 Cb 0.40 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 1xc3 n TRP 188 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xc3 n GLY 189 N 1.43 0.95 3.22 6.99 0.00 0.69 -5.00 105.19 113.47 1xc3 n GLY 189 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1xc3 n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xc3 s LYS 190 N -0.11 0.96 0.53 1.61 1.02 -1.22 -5.01 119.74 117.52 1xc3 s LYS 190 Ca 0.00 -1.14 -0.20 0.00 0.02 0.00 0.00 55.97 54.64 1xc3 s LYS 190 Cb 0.00 -0.90 -0.06 0.00 -0.52 0.00 0.00 37.83 36.35 1xc3 s LYS 190 CO 0.00 0.18 1.16 -1.59 -0.92 0.00 0.00 175.35 174.18 1xc3 s LYS 191 N -2.33 3.41 -0.81 1.68 0.00 -1.26 -4.09 119.74 116.34 1xc3 s LYS 191 Ca 0.05 1.71 -0.15 0.00 0.00 0.00 0.00 55.97 57.58 1xc3 s LYS 191 Cb -0.07 -2.12 -0.11 0.00 0.00 0.00 0.00 37.83 35.53 1xc3 s LYS 191 CO 0.03 -0.83 1.98 0.00 0.00 0.00 0.00 175.35 176.53 1xc3 n ALA 192 N -1.10 3.80 0.00 0.59 0.00 -1.26 -2.00 120.51 120.55 1xc3 n ALA 192 Ca 0.11 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1xc3 n ALA 192 Cb 0.50 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.58 1xc3 n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xc3 n ALA 193 N 6.15 0.14 0.48 0.00 0.00 -1.26 -4.78 120.51 121.23 1xc3 n ALA 193 Ca 0.46 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.96 1xc3 n ALA 193 Cb 0.29 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.02 1xc3 n ALA 193 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xc3 n ASP 194 N -1.43 0.00 -0.31 0.00 10.43 -0.85 -2.93 116.55 121.46 1xc3 n ASP 194 Ca 0.00 0.38 0.07 0.00 2.57 0.00 0.00 54.79 57.81 1xc3 n ASP 194 Cb 0.00 -0.43 -0.01 0.00 1.84 0.00 0.00 41.12 42.52 1xc3 n ASP 194 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1xc3 n LEU 195 N -1.43 1.46 0.18 0.64 4.77 -1.24 -4.57 117.00 116.82 1xc3 n LEU 195 Ca 0.04 -0.74 0.16 0.00 -0.03 0.00 0.00 56.01 55.44 1xc3 n LEU 195 Cb 0.13 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.82 1xc3 n LEU 195 CO 0.11 0.29 1.14 -1.28 -1.33 0.00 0.00 177.39 176.32 1xc3 h SER 196 N 1.51 0.00 0.16 -1.43 0.87 -1.85 -0.74 113.55 112.06 1xc3 h SER 196 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xc3 h SER 196 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1xc3 h SER 196 CO 0.00 0.00 -1.76 -0.90 -0.53 0.00 0.00 176.83 173.64 1xc3 n ASP 197 N -3.12 0.21 -4.52 6.23 5.75 -1.26 -4.83 116.55 115.00 1xc3 n ASP 197 Ca 0.05 -0.03 -0.43 0.00 -0.01 0.00 0.00 54.79 54.37 1xc3 n ASP 197 Cb 0.74 1.67 -0.05 0.00 -1.03 0.00 0.00 41.12 42.45 1xc3 n ASP 197 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xc3 s ILE 198 N -3.45 4.52 0.42 2.12 1.09 -0.29 -4.94 121.20 120.68 1xc3 s ILE 198 Ca -0.05 0.30 0.14 0.00 -1.10 0.00 0.00 60.65 59.93 1xc3 s ILE 198 Cb 0.14 -4.44 0.16 0.00 -1.06 0.00 0.00 42.46 37.25 1xc3 s ILE 198 CO 0.89 -0.93 1.94 0.00 -0.10 0.00 0.00 174.94 176.73 1xc3 h ALA 199 N 9.15 1.60 0.00 9.38 0.00 -1.88 -2.90 119.26 134.61 1xc3 h ALA 199 Ca -0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xc3 h ALA 199 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xc3 h ALA 199 CO 1.03 0.30 0.00 -0.56 0.00 0.00 0.00 179.25 180.02 1xc3 h GLN 200 N 0.02 0.00 -0.41 0.00 3.07 -1.95 -1.83 115.11 114.01 1xc3 h GLN 200 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 1xc3 h GLN 200 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1xc3 h GLN 200 CO 0.03 0.00 0.01 0.28 0.09 0.00 0.00 178.83 179.24 1xc3 h VAL 201 N 0.00 1.26 0.00 1.86 2.07 -1.86 -2.19 116.25 117.39 1xc3 h VAL 201 Ca 0.00 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1xc3 h VAL 201 Cb 0.64 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1xc3 h VAL 201 CO 0.00 0.34 -0.88 -0.50 0.02 0.00 0.00 177.57 176.55 1xc3 h TRP 202 N 0.55 0.00 -0.17 1.57 4.06 -1.66 -1.77 115.95 118.54 1xc3 h TRP 202 Ca 0.12 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 1xc3 h TRP 202 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1xc3 h TRP 202 CO 0.04 0.16 -0.04 1.49 -3.56 0.00 0.00 178.44 176.53 1xc3 h GLU 203 N 0.00 0.33 -0.39 0.49 4.81 -1.37 -0.28 114.58 118.15 1xc3 h GLU 203 Ca -0.03 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1xc3 h GLU 203 Cb 1.16 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1xc3 h GLU 203 CO 0.02 0.59 -0.23 1.25 -0.73 0.00 0.00 179.01 179.90 1xc3 h LEU 204 N 0.04 0.89 -0.25 1.64 5.85 -1.38 -1.14 115.31 120.95 1xc3 h LEU 204 Ca 0.04 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1xc3 h LEU 204 Cb 0.47 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1xc3 h LEU 204 CO 0.02 1.12 0.05 -0.08 -0.34 0.00 0.00 178.44 179.20 1xc3 h GLU 205 N 0.66 0.42 -0.74 1.25 4.57 -1.35 -1.43 114.58 117.95 1xc3 h GLU 205 Ca 0.08 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1xc3 h GLU 205 Cb 0.80 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 1xc3 h GLU 205 CO 0.07 0.53 0.49 0.78 -1.18 0.00 0.00 179.01 179.70 1xc3 h GLY 206 N 0.23 1.05 0.87 1.92 0.00 -1.01 -0.46 103.07 105.67 1xc3 h GLY 206 Ca 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xc3 h GLY 206 CO 0.00 0.39 0.06 -1.82 0.00 0.00 0.00 176.54 175.17 1xc3 h TYR 207 N 1.01 0.26 -0.52 5.60 3.20 -0.98 -0.63 116.97 124.91 1xc3 h TYR 207 Ca 0.27 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1xc3 h TYR 207 Cb -0.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1xc3 h TYR 207 CO 0.00 0.34 0.16 1.88 -1.64 0.00 0.00 178.16 178.90 1xc3 h TYR 208 N 0.10 0.83 -0.71 -3.82 0.05 -0.89 -1.85 116.97 110.69 1xc3 h TYR 208 Ca 0.05 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 1xc3 h TYR 208 Cb 0.19 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1xc3 h TYR 208 CO -0.01 0.72 0.19 0.82 -1.05 0.00 0.00 178.16 178.82 1xc3 h ILE 209 N 0.71 1.26 -0.75 -2.88 2.04 -1.06 -2.46 117.51 114.37 1xc3 h ILE 209 Ca 0.17 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1xc3 h ILE 209 Cb 0.27 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1xc3 h ILE 209 CO -0.01 0.37 0.31 0.00 0.00 0.00 0.00 178.15 178.82 1xc3 h ALA 210 N 1.09 1.15 -0.63 1.87 0.00 -0.95 0.14 119.26 121.92 1xc3 h ALA 210 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xc3 h ALA 210 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xc3 h ALA 210 CO -0.00 0.62 0.37 1.96 0.00 0.00 0.00 179.25 182.20 1xc3 h GLN 211 N 1.07 0.87 -0.49 0.00 1.08 -1.09 -1.47 115.11 115.09 1xc3 h GLN 211 Ca 0.25 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.29 1xc3 h GLN 211 Cb 0.18 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1xc3 h GLN 211 CO -0.02 0.64 0.01 0.00 -0.95 0.00 0.00 178.83 178.50 1xc3 h ALA 212 N 1.18 0.66 -0.69 3.87 0.00 -0.98 -3.01 119.26 120.29 1xc3 h ALA 212 Ca 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xc3 h ALA 212 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xc3 h ALA 212 CO -0.04 0.46 0.21 -0.07 0.00 0.00 0.00 179.25 179.81 1xc3 h LEU 213 N 0.72 1.02 -0.74 0.00 3.38 -0.67 -1.74 115.31 117.28 1xc3 h LEU 213 Ca 0.14 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1xc3 h LEU 213 Cb 0.50 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1xc3 h LEU 213 CO 0.02 0.96 0.41 0.00 0.09 0.00 0.00 178.44 179.92 1xc3 h ALA 214 N 1.10 1.03 -0.26 1.53 0.00 -1.27 0.15 119.26 121.54 1xc3 h ALA 214 Ca 0.22 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1xc3 h ALA 214 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xc3 h ALA 214 CO -0.01 0.04 0.11 1.96 0.00 0.00 0.00 179.25 181.36 1xc3 h GLN 215 N 0.70 0.24 -0.62 0.00 1.08 -1.26 -1.19 115.11 114.06 1xc3 h GLN 215 Ca 0.35 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.48 1xc3 h GLN 215 Cb 0.31 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1xc3 h GLN 215 CO -0.24 0.16 0.15 1.88 -0.95 0.00 0.00 178.83 179.83 1xc3 h TYR 216 N 0.25 1.01 -0.36 2.96 0.05 -0.69 -1.65 116.97 118.54 1xc3 h TYR 216 Ca 0.11 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1xc3 h TYR 216 Cb 0.05 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 1xc3 h TYR 216 CO -0.11 0.84 0.03 0.82 -1.05 0.00 0.00 178.16 178.69 1xc3 h ILE 217 N 0.93 1.25 0.00 -2.88 2.04 -0.54 0.18 117.51 118.50 1xc3 h ILE 217 Ca 0.20 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1xc3 h ILE 217 Cb 0.34 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1xc3 h ILE 217 CO 0.00 0.31 -0.41 -0.07 0.00 0.00 0.00 178.15 177.98 1xc3 h LEU 218 N 0.44 0.00 0.00 1.44 3.38 -1.02 -1.07 115.31 118.48 1xc3 h LEU 218 Ca 0.11 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.77 1xc3 h LEU 218 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1xc3 h LEU 218 CO 0.01 0.41 -1.78 -0.38 0.09 0.00 0.00 178.44 176.79 1xc3 n ILE 219 N -3.78 1.52 -0.09 1.22 5.41 -0.64 -4.74 119.36 118.27 1xc3 n ILE 219 Ca -0.01 -0.16 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 1xc3 n ILE 219 Cb 0.47 -2.01 -0.14 0.00 -0.71 0.00 0.00 39.64 37.26 1xc3 n ILE 219 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xc3 n LEU 220 N -4.36 1.91 -3.56 1.39 4.77 0.59 -5.04 117.00 112.69 1xc3 n LEU 220 Ca -0.40 0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.36 1xc3 n LEU 220 Cb 0.74 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1xc3 n LEU 220 CO 0.11 0.75 -0.04 0.00 -1.33 0.00 0.00 177.39 176.88 1xc3 n ALA 221 N -3.00 -2.42 -1.38 -1.18 0.00 -0.41 -4.95 120.51 107.17 1xc3 n ALA 221 Ca -0.37 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 52.63 1xc3 n ALA 221 Cb 1.05 -4.16 0.07 0.00 0.00 0.00 0.00 19.45 16.41 1xc3 n ALA 221 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xc3 s PRO 222 N -5.53 2.47 0.00 0.00 0.04 -1.26 -4.91 135.00 125.80 1xc3 s PRO 222 Ca 0.37 1.39 0.28 0.00 0.04 0.00 0.00 61.00 63.08 1xc3 s PRO 222 Cb -0.10 -1.91 1.01 0.00 0.04 0.00 0.00 34.50 33.54 1xc3 s PRO 222 CO 0.82 -1.51 1.74 1.63 0.04 0.00 0.00 177.00 179.72 1xc3 n LYS 223 N -2.84 0.32 -3.64 4.56 5.02 -1.25 -4.82 118.16 115.51 1xc3 n LYS 223 Ca 0.11 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 1xc3 n LYS 223 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1xc3 n LYS 223 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xc3 s LYS 224 N -2.76 0.76 -0.18 1.97 2.47 -1.25 -4.99 119.74 115.76 1xc3 s LYS 224 Ca 0.20 1.05 0.01 0.00 -1.56 0.00 0.00 55.97 55.67 1xc3 s LYS 224 Cb 0.19 0.29 0.02 0.00 -1.46 0.00 0.00 37.83 36.87 1xc3 s LYS 224 CO 0.55 -0.12 -0.20 0.42 0.16 0.00 0.00 175.35 176.17 1xc3 s ILE 225 N 0.84 2.09 -0.19 5.43 1.01 -0.11 -0.90 121.20 129.37 1xc3 s ILE 225 Ca -0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1xc3 s ILE 225 Cb -0.05 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1xc3 s ILE 225 CO -0.07 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.72 1xc3 s ILE 226 N 1.24 3.30 -0.25 2.92 1.01 0.67 -0.92 121.20 129.17 1xc3 s ILE 226 Ca 0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1xc3 s ILE 226 Cb -0.13 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1xc3 s ILE 226 CO -0.12 0.46 0.01 -0.76 0.00 0.00 0.00 174.94 174.53 1xc3 s LEU 227 N 1.14 3.35 0.00 2.97 1.43 0.14 -0.38 118.68 127.33 1xc3 s LEU 227 Ca 0.01 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1xc3 s LEU 227 Cb -0.14 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1xc3 s LEU 227 CO -0.01 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1xc3 n GLY 228 N 4.82 4.25 0.00 -3.19 0.00 0.45 -4.16 105.19 107.36 1xc3 n GLY 228 Ca -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1xc3 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xc3 n GLY 229 N 3.32 1.68 0.34 -0.02 0.00 -1.26 -0.24 105.19 109.01 1xc3 n GLY 229 Ca 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 44.15 1xc3 n GLY 229 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xc3 h GLY 230 N 0.00 1.46 1.03 -0.02 0.00 -1.89 -2.03 103.07 101.62 1xc3 h GLY 230 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.97 1xc3 h GLY 230 CO 0.00 0.21 0.56 -2.08 0.00 0.00 0.00 176.54 175.23 1xc3 h VAL 231 N 0.97 1.13 0.00 4.60 2.07 -1.48 -2.27 116.25 121.27 1xc3 h VAL 231 Ca 0.43 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1xc3 h VAL 231 Cb 0.33 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1xc3 h VAL 231 CO -0.23 0.19 0.00 0.23 0.02 0.00 0.00 177.57 177.79 1xc3 n MET 232 N -4.45 0.55 0.25 1.57 0.00 -0.76 -1.91 117.12 112.36 1xc3 n MET 232 Ca 0.11 0.03 0.13 0.00 0.00 0.00 0.00 57.70 57.98 1xc3 n MET 232 Cb 0.12 -1.50 0.59 0.00 0.00 0.00 0.00 33.22 32.43 1xc3 n MET 232 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1xc3 h GLN 233 N 0.00 0.00 -5.46 0.03 1.08 -1.45 -3.31 115.11 106.00 1xc3 h GLN 233 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 1xc3 h GLN 233 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 1xc3 h GLN 233 CO 0.00 0.13 2.03 1.04 -0.95 0.00 0.00 178.83 181.08 1xc3 n GLN 234 N -3.32 2.66 0.27 1.46 1.13 -0.80 -4.83 117.38 113.94 1xc3 n GLN 234 Ca -0.00 -2.91 0.12 0.00 -1.94 0.00 0.00 57.00 52.26 1xc3 n GLN 234 Cb 0.35 -3.50 0.64 0.00 0.11 0.00 0.00 30.24 27.83 1xc3 n GLN 234 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1xc3 h LYS 235 N 7.95 0.00 0.00 -1.09 1.57 -1.86 -1.03 116.57 122.11 1xc3 h LYS 235 Ca 0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1xc3 h LYS 235 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1xc3 h LYS 235 CO 1.48 0.00 -0.15 1.96 -0.57 0.00 0.00 179.45 182.17 1xc3 h GLN 236 N 0.00 0.00 -0.35 3.15 7.50 -1.91 -2.97 115.11 120.53 1xc3 h GLN 236 Ca 0.00 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1xc3 h GLN 236 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.15 1xc3 h GLN 236 CO 0.00 0.15 0.23 -0.39 -1.50 0.00 0.00 178.83 177.32 1xc3 h VAL 237 N 0.00 1.06 -0.31 -0.54 -1.51 -1.47 -2.63 116.25 110.86 1xc3 h VAL 237 Ca -0.00 -0.15 0.05 0.00 -1.23 0.00 0.00 66.70 65.37 1xc3 h VAL 237 Cb 0.28 0.60 -0.05 0.00 -2.13 0.00 0.00 31.29 29.99 1xc3 h VAL 237 CO 0.02 0.08 0.02 -0.26 -1.23 0.00 0.00 177.57 176.20 1xc3 h PHE 238 N 0.43 0.02 -0.95 5.19 0.04 -1.74 -1.50 116.94 118.43 1xc3 h PHE 238 Ca 0.13 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.96 1xc3 h PHE 238 Cb 0.01 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 1xc3 h PHE 238 CO -0.00 -0.03 0.62 0.66 -0.60 0.00 0.00 178.31 178.95 1xc3 h SER 239 N 0.11 1.02 -0.36 2.17 4.64 -1.64 0.98 113.55 120.47 1xc3 h SER 239 Ca 0.15 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1xc3 h SER 239 Cb 0.19 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1xc3 h SER 239 CO -0.23 0.70 0.14 1.88 -0.87 0.00 0.00 176.83 178.45 1xc3 h TYR 240 N 1.19 0.55 -0.40 4.77 0.05 -1.51 -2.13 116.97 119.49 1xc3 h TYR 240 Ca 0.38 -0.04 0.06 0.00 0.05 0.00 0.00 58.73 59.18 1xc3 h TYR 240 Cb 0.02 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 1xc3 h TYR 240 CO -0.01 0.50 0.10 0.82 -1.05 0.00 0.00 178.16 178.52 1xc3 h ILE 241 N 0.43 0.83 -0.52 -2.88 2.04 -0.32 0.11 117.51 117.21 1xc3 h ILE 241 Ca 0.12 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1xc3 h ILE 241 Cb 0.19 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1xc3 h ILE 241 CO -0.01 0.04 0.34 1.88 0.00 0.00 0.00 178.15 180.41 1xc3 h TYR 242 N 0.24 0.54 -0.11 1.37 0.05 -0.68 -1.28 116.97 117.09 1xc3 h TYR 242 Ca 0.19 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.83 1xc3 h TYR 242 Cb 0.21 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 37.77 1xc3 h TYR 242 CO -0.18 0.31 -0.52 1.96 -1.05 0.00 0.00 178.16 178.67 1xc3 h GLN 243 N 0.55 0.56 0.22 4.88 4.20 -0.69 -3.39 115.11 121.44 1xc3 h GLN 243 Ca 0.21 -0.45 -0.32 0.00 0.06 0.00 0.00 58.65 58.15 1xc3 h GLN 243 Cb 0.16 0.09 0.03 0.00 0.30 0.00 0.00 27.48 28.06 1xc3 h GLN 243 CO -0.06 1.07 -1.44 1.88 -0.67 0.00 0.00 178.83 179.61 1xc3 h TYR 244 N 0.18 0.86 0.01 2.96 0.05 -0.42 -3.33 116.97 117.27 1xc3 h TYR 244 Ca -0.03 -0.63 0.03 0.00 0.05 0.00 0.00 58.73 58.15 1xc3 h TYR 244 Cb 1.16 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.83 1xc3 h TYR 244 CO 0.11 1.50 -0.19 0.28 -1.05 0.00 0.00 178.16 178.82 1xc3 h VAL 245 N 0.13 0.56 -0.41 -2.88 2.07 -1.44 -1.18 116.25 113.09 1xc3 h VAL 245 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xc3 h VAL 245 Cb 2.13 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1xc3 h VAL 245 CO 0.26 0.00 0.27 -0.65 0.02 0.00 0.00 177.57 177.46 1xc3 h PRO 246 N -0.31 0.54 -0.33 1.57 0.11 -1.75 -1.99 132.00 129.84 1xc3 h PRO 246 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1xc3 h PRO 246 Cb 0.38 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1xc3 h PRO 246 CO -0.17 0.36 0.16 0.87 -0.21 0.00 0.00 178.00 179.01 1xc3 h LYS 247 N 0.56 0.48 -0.66 1.05 1.57 -1.52 0.41 116.57 118.46 1xc3 h LYS 247 Ca 0.15 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1xc3 h LYS 247 Cb -0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1xc3 h LYS 247 CO -0.03 0.44 0.23 0.82 -0.57 0.00 0.00 179.45 180.33 1xc3 h ILE 248 N 0.40 1.25 0.00 1.86 2.04 -0.83 -3.14 117.51 119.08 1xc3 h ILE 248 Ca 0.11 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1xc3 h ILE 248 Cb 0.12 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1xc3 h ILE 248 CO -0.01 0.32 -0.62 0.24 0.00 0.00 0.00 178.15 178.08 1xc3 h MET 249 N 0.94 0.00 -6.25 2.37 2.86 -1.31 -3.48 114.93 110.06 1xc3 h MET 249 Ca 0.21 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.40 1xc3 h MET 249 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1xc3 h MET 249 CO -0.01 0.04 -0.84 -1.71 1.06 0.00 0.00 176.91 175.45 1xc3 n ASN 250 N -2.87 -1.50 -0.96 1.22 5.15 0.13 -2.07 115.26 114.35 1xc3 n ASN 250 Ca 0.01 -0.87 -0.13 0.00 -0.60 0.00 0.00 54.58 53.00 1xc3 n ASN 250 Cb 0.56 -3.72 -0.05 0.00 -0.53 0.00 0.00 39.78 36.04 1xc3 n ASN 250 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xc3 n SER 251 N -2.99 -5.12 -0.09 1.20 7.64 -1.26 -4.89 113.62 108.10 1xc3 n SER 251 Ca -0.24 0.31 -0.04 0.00 1.01 0.00 0.00 58.87 59.91 1xc3 n SER 251 Cb 0.65 -3.72 0.18 0.00 -1.01 0.00 0.00 64.21 60.31 1xc3 n SER 251 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1xc3 h TYR 252 N 0.00 0.80 -3.10 1.43 3.20 -1.80 -3.40 116.97 114.10 1xc3 h TYR 252 Ca -0.26 -0.10 -0.67 0.00 3.14 0.00 0.00 58.73 60.84 1xc3 h TYR 252 Cb 1.02 -0.22 -0.35 0.00 1.54 0.00 0.00 36.73 38.72 1xc3 h TYR 252 CO 0.48 0.74 -0.85 -0.51 -1.64 0.00 0.00 178.16 176.38 1xc3 s LEU 253 N -9.16 2.21 -0.81 2.82 1.43 -1.26 -5.08 118.68 108.84 1xc3 s LEU 253 Ca -0.09 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.16 1xc3 s LEU 253 Cb 0.15 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.99 1xc3 s LEU 253 CO 0.80 -0.01 1.00 -0.62 0.23 0.00 0.00 176.35 177.76 1xc3 s ASP 254 N 1.30 6.47 -0.07 2.29 2.15 -1.26 -4.91 116.67 122.63 1xc3 s ASP 254 Ca 0.05 -1.76 -0.05 0.00 0.43 0.00 0.00 52.55 51.22 1xc3 s ASP 254 Cb -0.13 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1xc3 s ASP 254 CO -0.12 -1.13 0.17 -0.36 -0.17 0.00 0.00 175.17 173.57 1xc3 s PHE 255 N 2.83 -0.20 0.49 -5.34 0.08 -1.26 -5.05 117.98 109.54 1xc3 s PHE 255 Ca 0.26 0.50 0.17 0.00 0.12 0.00 0.00 56.93 57.98 1xc3 s PHE 255 Cb -0.11 0.04 1.22 0.00 -0.57 0.00 0.00 43.02 43.59 1xc3 s PHE 255 CO -0.03 -0.12 2.06 0.66 -0.10 0.00 0.00 175.22 177.69 1xc3 h SER 256 N 6.26 0.13 -0.52 1.36 4.64 -1.97 -1.27 113.55 122.17 1xc3 h SER 256 Ca -0.30 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1xc3 h SER 256 Cb 1.18 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1xc3 h SER 256 CO 0.40 0.08 0.37 -0.33 -0.87 0.00 0.00 176.83 176.48 1xc3 h GLU 257 N 0.14 0.14 -0.02 4.77 3.07 -1.97 0.15 114.58 120.87 1xc3 h GLU 257 Ca 0.15 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1xc3 h GLU 257 Cb 0.41 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xc3 h GLU 257 CO -0.02 0.09 -0.37 1.28 -1.40 0.00 0.00 179.01 178.59 1xc3 n LEU 258 N -4.43 2.01 0.00 1.33 4.77 -0.49 -3.37 117.00 116.82 1xc3 n LEU 258 Ca 0.09 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1xc3 n LEU 258 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xc3 n LEU 258 CO 0.35 0.37 0.00 -1.54 -1.33 0.00 0.00 177.39 175.24 1xc3 n SER 259 N 0.08 0.00 -0.16 -1.43 3.41 -0.89 -4.31 113.62 110.31 1xc3 n SER 259 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.65 1xc3 n SER 259 Cb 0.47 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 1xc3 n SER 259 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xc3 h ASP 260 N 0.00 0.91 -0.64 4.04 3.32 -1.80 -2.99 116.42 119.26 1xc3 h ASP 260 Ca 0.00 -0.24 -0.31 0.00 0.02 0.00 0.00 57.03 56.50 1xc3 h ASP 260 Cb 0.00 -0.24 -0.18 0.00 0.22 0.00 0.00 39.33 39.12 1xc3 h ASP 260 CO 0.00 0.97 0.25 0.47 -1.72 0.00 0.00 179.24 179.21 1xc3 n ASP 261 N -4.19 3.30 0.01 6.45 8.00 0.48 -4.70 116.55 125.91 1xc3 n ASP 261 Ca 0.03 -3.61 0.06 0.00 0.71 0.00 0.00 54.79 51.98 1xc3 n ASP 261 Cb 0.33 -0.72 0.47 0.00 -0.02 0.00 0.00 41.12 41.17 1xc3 n ASP 261 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xc3 h ILE 262 N 1.23 1.05 0.00 0.53 2.10 -1.53 -1.85 117.51 119.04 1xc3 h ILE 262 Ca 0.38 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 66.16 1xc3 h ILE 262 Cb 2.20 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.47 1xc3 h ILE 262 CO 0.70 0.08 0.00 0.77 -1.08 0.00 0.00 178.15 178.62 1xc3 h SER 263 N 0.46 0.00 0.03 2.19 4.64 -1.84 -0.81 113.55 118.22 1xc3 h SER 263 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xc3 h SER 263 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1xc3 h SER 263 CO -0.04 0.00 -0.31 0.47 -0.87 0.00 0.00 176.83 176.09 1xc3 n ASP 264 N -2.66 2.02 -0.11 4.97 8.00 -0.70 -4.52 116.55 123.55 1xc3 n ASP 264 Ca 0.01 -1.51 -0.17 0.00 0.71 0.00 0.00 54.79 53.82 1xc3 n ASP 264 Cb 0.22 0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 41.51 1xc3 n ASP 264 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xc3 n TYR 265 N 0.17 0.00 -3.67 1.24 9.36 -0.40 -4.83 117.16 119.04 1xc3 n TYR 265 Ca 0.11 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.94 1xc3 n TYR 265 Cb 0.47 -0.82 -0.12 0.00 -0.63 0.00 0.00 39.34 38.24 1xc3 n TYR 265 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1xc3 s ILE 266 N -2.43 4.21 0.06 2.97 1.01 -0.67 -0.93 121.20 125.42 1xc3 s ILE 266 Ca -0.30 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1xc3 s ILE 266 Cb 0.09 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1xc3 s ILE 266 CO 0.47 -0.23 -0.05 0.68 0.00 0.00 0.00 174.94 175.81 1xc3 s VAL 267 N 1.48 0.41 0.70 2.92 -7.23 -0.10 -4.72 120.40 113.87 1xc3 s VAL 267 Ca 0.00 -1.58 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1xc3 s VAL 267 Cb -0.19 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.55 1xc3 s VAL 267 CO 0.05 -0.77 1.10 -2.16 -0.31 0.00 0.00 175.10 173.00 1xc3 s PRO 268 N -3.10 2.62 0.36 4.82 0.04 -1.26 -0.68 135.00 137.79 1xc3 s PRO 268 Ca 0.02 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 1xc3 s PRO 268 Cb 0.01 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1xc3 s PRO 268 CO -0.05 -1.38 1.37 -1.25 0.04 0.00 0.00 177.00 175.73 1xc3 s PRO 269 N -4.42 4.21 0.31 0.56 0.04 -1.26 -4.81 135.00 129.62 1xc3 s PRO 269 Ca 0.64 2.33 0.04 0.00 0.04 0.00 0.00 61.00 64.05 1xc3 s PRO 269 Cb -0.19 -2.98 0.50 0.00 0.04 0.00 0.00 34.50 31.87 1xc3 s PRO 269 CO 0.47 -0.36 1.79 -0.09 0.04 0.00 0.00 177.00 178.85 1xc3 h ARG 270 N 3.13 0.49 0.00 4.56 2.43 -1.93 -2.54 114.38 120.52 1xc3 h ARG 270 Ca -0.50 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1xc3 h ARG 270 Cb 1.23 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1xc3 h ARG 270 CO 0.64 0.63 0.00 1.28 -1.51 0.00 0.00 179.97 181.01 1xc3 n LEU 271 N -4.19 0.00 0.00 3.80 4.77 -1.26 -5.00 117.00 115.12 1xc3 n LEU 271 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xc3 n LEU 271 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1xc3 n LEU 271 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1xc3 n GLY 272 N 0.81 2.84 0.00 -0.72 0.00 -0.96 -2.05 105.19 105.11 1xc3 n GLY 272 Ca 0.20 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1xc3 n GLY 272 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xc3 n SER 273 N 1.90 0.00 -0.91 1.61 3.41 -1.26 -3.36 113.62 115.01 1xc3 n SER 273 Ca 0.00 -1.39 0.09 0.00 -0.26 0.00 0.00 58.87 57.31 1xc3 n SER 273 Cb 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 1xc3 n SER 273 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xc3 n ASN 274 N -0.71 3.07 -0.16 4.04 3.02 -0.87 -4.60 115.26 119.05 1xc3 n ASN 274 Ca 0.09 -1.89 -0.02 0.00 -0.03 0.00 0.00 54.58 52.72 1xc3 n ASN 274 Cb 0.04 -0.20 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1xc3 n ASN 274 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xc3 h ALA 275 N 3.48 0.50 0.08 5.41 0.00 -1.66 -1.85 119.26 125.22 1xc3 h ALA 275 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xc3 h ALA 275 Cb 0.83 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xc3 h ALA 275 CO 0.00 -0.37 -0.04 0.78 0.00 0.00 0.00 179.25 179.63 1xc3 h GLY 276 N 0.15 -0.11 1.47 0.00 0.00 -1.82 -0.17 103.07 102.59 1xc3 h GLY 276 Ca 0.25 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.52 1xc3 h GLY 276 CO -0.39 -0.04 -0.22 1.19 0.00 0.00 0.00 176.54 177.08 1xc3 h ILE 277 N -0.25 1.27 -0.62 2.60 6.09 -1.84 -1.73 117.51 123.01 1xc3 h ILE 277 Ca -0.01 -1.28 -0.06 0.00 -1.37 0.00 0.00 64.86 62.15 1xc3 h ILE 277 Cb 0.21 1.26 -0.03 0.00 0.47 0.00 0.00 36.82 38.74 1xc3 h ILE 277 CO 0.02 0.42 0.17 0.40 -3.07 0.00 0.00 178.15 176.08 1xc3 h ILE 278 N 0.55 1.25 0.00 2.19 2.04 -1.29 -2.60 117.51 119.65 1xc3 h ILE 278 Ca 0.08 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1xc3 h ILE 278 Cb 0.68 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1xc3 h ILE 278 CO 0.05 0.34 -0.07 1.23 0.00 0.00 0.00 178.15 179.69 1xc3 h GLY 279 N 0.91 0.00 2.00 5.37 0.00 -0.54 -1.83 103.07 108.98 1xc3 h GLY 279 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 1xc3 h GLY 279 CO -0.00 0.00 -0.32 -0.91 0.00 0.00 0.00 176.54 175.31 1xc3 h THR 280 N 0.00 1.14 -0.26 4.70 1.35 -0.93 -0.89 112.91 118.03 1xc3 h THR 280 Ca -0.00 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.62 1xc3 h THR 280 Cb 0.14 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1xc3 h THR 280 CO 0.01 0.31 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.17 1xc3 h LEU 281 N 0.00 0.59 -0.19 3.87 3.38 -1.27 -0.82 115.31 120.86 1xc3 h LEU 281 Ca -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xc3 h LEU 281 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xc3 h LEU 281 CO 0.04 0.89 0.10 0.58 0.09 0.00 0.00 178.44 180.14 1xc3 h VAL 282 N 0.47 1.12 -1.00 1.22 2.07 -1.13 -1.23 116.25 117.77 1xc3 h VAL 282 Ca 0.05 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.31 1xc3 h VAL 282 Cb 0.83 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1xc3 h VAL 282 CO 0.07 0.12 0.64 -0.07 0.02 0.00 0.00 177.57 178.35 1xc3 h LEU 283 N 0.19 1.01 0.10 2.57 3.38 -1.01 0.07 115.31 121.62 1xc3 h LEU 283 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xc3 h LEU 283 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xc3 h LEU 283 CO -0.01 0.62 -0.05 0.00 0.09 0.00 0.00 178.44 179.09 1xc3 h ALA 284 N 1.48 -0.14 -0.70 1.53 0.00 -0.90 -1.64 119.26 118.89 1xc3 h ALA 284 Ca 0.45 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1xc3 h ALA 284 Cb 0.25 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1xc3 h ALA 284 CO -0.19 -0.56 0.44 1.25 0.00 0.00 0.00 179.25 180.19 1xc3 h HIS 285 N -0.18 0.83 -0.60 0.00 -0.00 -0.76 -0.65 115.15 113.80 1xc3 h HIS 285 Ca -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1xc3 h HIS 285 Cb 0.15 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1xc3 h HIS 285 CO -0.06 0.49 0.33 1.96 -0.00 0.00 0.00 177.93 180.65 1xc3 h GLN 286 N 0.88 0.83 -0.61 5.26 4.20 -0.91 -0.47 115.11 124.30 1xc3 h GLN 286 Ca 0.27 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1xc3 h GLN 286 Cb -0.01 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1xc3 h GLN 286 CO -0.09 0.63 0.22 0.00 -0.67 0.00 0.00 178.83 178.91 1xc3 h ALA 287 N 1.16 1.24 -0.29 3.87 0.00 -0.83 0.21 119.26 124.62 1xc3 h ALA 287 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xc3 h ALA 287 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xc3 h ALA 287 CO -0.03 0.55 0.09 1.25 0.00 0.00 0.00 179.25 181.10 1xc3 h LEU 288 N 0.88 0.42 -0.95 0.00 5.85 -0.61 -2.12 115.31 118.78 1xc3 h LEU 288 Ca 0.20 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1xc3 h LEU 288 Cb 0.21 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1xc3 h LEU 288 CO -0.01 0.52 0.26 1.56 -0.34 0.00 0.00 178.44 180.43 1xc3 h GLN 289 N 0.31 1.02 -0.01 1.25 4.20 -0.82 -1.68 115.11 119.38 1xc3 h GLN 289 Ca 0.09 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 1xc3 h GLN 289 Cb 0.25 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1xc3 h GLN 289 CO -0.00 0.84 -0.63 0.00 -0.67 0.00 0.00 178.83 178.37 1xc3 h ALA 290 N 1.29 0.93 0.09 3.87 0.00 -0.86 -2.83 119.26 121.74 1xc3 h ALA 290 Ca 0.23 -0.57 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1xc3 h ALA 290 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xc3 h ALA 290 CO -0.02 0.78 -1.14 1.49 0.00 0.00 0.00 179.25 180.36 1xc3 h GLU 291 N 0.03 0.25 0.00 0.00 4.22 -1.25 -3.12 114.58 114.71 1xc3 h GLU 291 Ca -0.01 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1xc3 h GLU 291 Cb 1.12 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1xc3 h GLU 291 CO 0.08 1.15 0.00 0.00 -2.18 0.00 0.00 179.01 178.07 1xc3 n ALA 292 N -2.51 1.61 -1.30 2.92 0.00 -0.64 -2.26 120.51 118.32 1xc3 n ALA 292 Ca -0.07 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1xc3 n ALA 292 Cb 0.97 -1.30 0.19 0.00 0.00 0.00 0.00 19.45 19.31 1xc3 n ALA 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xc3 n ALA 293 N -1.64 3.28 0.20 0.00 0.00 -1.08 -5.08 120.51 116.19 1xc3 n ALA 293 Ca 0.02 -2.89 0.02 0.00 0.00 0.00 0.00 53.44 50.59 1xc3 n ALA 293 Cb 0.18 -0.52 0.10 0.00 0.00 0.00 0.00 19.45 19.21 1xc3 n ALA 293 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93