#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1i s THR 3 N 0.00 3.36 0.27 0.00 2.01 -1.26 -4.97 115.64 115.05 3a1i s THR 3 Ca 0.00 1.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.96 3a1i s THR 3 Cb 0.00 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.59 3a1i s THR 3 CO 0.00 0.26 1.63 -0.63 -0.69 0.00 0.00 174.62 175.19 3a1i s ILE 4 N -0.68 2.07 0.31 1.82 1.01 -1.26 -4.99 121.20 119.48 3a1i s ILE 4 Ca 0.49 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3a1i s ILE 4 Cb -0.34 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3a1i s ILE 4 CO 0.41 0.01 0.50 -0.13 0.00 0.00 0.00 174.94 175.73 3a1i s ARG 5 N -0.04 3.50 0.38 2.79 3.00 -1.26 -5.10 118.95 122.22 3a1i s ARG 5 Ca 0.66 -0.36 -0.07 0.00 0.00 0.00 0.00 55.73 55.96 3a1i s ARG 5 Cb -0.48 -2.72 -0.05 0.00 0.00 0.00 0.00 34.95 31.70 3a1i s ARG 5 CO 0.43 0.23 0.69 -1.25 0.00 0.00 0.00 175.30 175.40 3a1i s PRO 6 N -4.05 3.67 0.56 3.54 0.04 -1.26 -5.09 135.00 132.41 3a1i s PRO 6 Ca 0.39 0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.67 3a1i s PRO 6 Cb -0.10 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.99 3a1i s PRO 6 CO 0.34 0.03 0.78 0.16 0.04 0.00 0.00 177.00 178.35 3a1i s ASP 7 N -3.38 5.20 0.44 6.66 3.84 -1.26 -4.87 116.67 123.30 3a1i s ASP 7 Ca 0.47 -0.09 0.16 0.00 -0.00 0.00 0.00 52.55 53.09 3a1i s ASP 7 Cb -0.10 -0.75 1.07 0.00 -1.38 0.00 0.00 42.92 41.76 3a1i s ASP 7 CO 0.34 -1.20 1.96 0.44 -0.00 0.00 0.00 175.17 176.71 3a1i h ASP 8 N 0.05 0.34 -0.45 2.11 3.32 -1.98 -0.04 116.42 119.77 3a1i h ASP 8 Ca -0.41 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 3a1i h ASP 8 Cb 1.29 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3a1i h ASP 8 CO 0.50 0.19 -0.01 0.50 -1.72 0.00 0.00 179.24 178.71 3a1i h LYS 9 N 0.37 0.80 -0.48 3.56 3.64 -1.99 -1.07 116.57 121.40 3a1i h LYS 9 Ca 0.31 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3a1i h LYS 9 Cb 0.69 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3a1i h LYS 9 CO -0.08 0.87 -0.06 0.00 -2.27 0.00 0.00 179.45 177.90 3a1i h ALA 10 N 0.91 0.66 -0.88 5.00 0.00 -1.59 -0.33 119.26 123.02 3a1i h ALA 10 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3a1i h ALA 10 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3a1i h ALA 10 CO 0.02 0.52 0.55 0.82 0.00 0.00 0.00 179.25 181.17 3a1i h ILE 11 N 0.75 1.24 -0.38 0.00 2.04 -0.89 0.18 117.51 120.45 3a1i h ILE 11 Ca 0.13 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 3a1i h ILE 11 Cb 0.60 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3a1i h ILE 11 CO 0.04 0.24 -0.19 -0.78 0.00 0.00 0.00 178.15 177.46 3a1i h ASP 12 N 1.21 0.83 -0.86 1.72 3.58 -0.94 -1.16 116.42 120.79 3a1i h ASP 12 Ca 0.32 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 3a1i h ASP 12 Cb -0.09 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.69 3a1i h ASP 12 CO -0.06 1.05 0.44 0.00 -2.88 0.00 0.00 179.24 177.79 3a1i h ALA 13 N 0.80 1.11 -0.24 -0.78 0.00 -0.59 0.03 119.26 119.60 3a1i h ALA 13 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3a1i h ALA 13 Cb 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a1i h ALA 13 CO 0.06 0.65 0.10 0.00 0.00 0.00 0.00 179.25 180.06 3a1i h ALA 14 N 1.24 0.30 -0.59 0.00 0.00 -0.40 -0.91 119.26 118.90 3a1i h ALA 14 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3a1i h ALA 14 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3a1i h ALA 14 CO -0.04 -0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.48 3a1i h ALA 15 N 0.96 0.75 -0.20 0.00 0.00 -0.88 -1.87 119.26 118.02 3a1i h ALA 15 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3a1i h ALA 15 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a1i h ALA 15 CO -0.01 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 179.33 3a1i h ARG 16 N 0.80 0.31 -0.61 0.00 3.08 -0.76 0.16 114.38 117.37 3a1i h ARG 16 Ca 0.22 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.23 3a1i h ARG 16 Cb -0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3a1i h ARG 16 CO -0.05 0.42 0.41 1.25 -1.07 0.00 0.00 179.97 180.93 3a1i h HIS 17 N 0.30 0.68 -0.19 3.04 2.76 -0.32 -1.77 115.15 119.66 3a1i h HIS 17 Ca 0.06 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3a1i h HIS 17 Cb 0.36 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3a1i h HIS 17 CO 0.01 0.39 0.00 0.66 -1.30 0.00 0.00 177.93 177.69 3a1i n TYR 18 N -4.47 0.22 -0.94 5.26 4.02 -0.89 -4.93 117.16 115.44 3a1i n TYR 18 Ca 0.08 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3a1i n TYR 18 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3a1i n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a1i n GLY 19 N 1.37 0.50 3.74 2.72 0.00 -0.67 -5.02 105.19 107.84 3a1i n GLY 19 Ca 0.17 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3a1i n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1i s ILE 20 N -2.00 4.86 -0.24 -0.61 1.01 0.53 -4.97 121.20 119.77 3a1i s ILE 20 Ca 0.00 1.52 -0.05 0.00 0.00 0.00 0.00 60.65 62.12 3a1i s ILE 20 Cb 0.00 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3a1i s ILE 20 CO 0.00 0.34 0.00 0.42 0.00 0.00 0.00 174.94 175.70 3a1i s THR 21 N 0.19 3.61 -0.06 2.92 -4.23 -1.26 -3.73 115.64 113.09 3a1i s THR 21 Ca 0.37 -0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 60.17 3a1i s THR 21 Cb -0.19 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 3a1i s THR 21 CO 0.21 0.32 0.53 -0.76 -0.54 0.00 0.00 174.62 174.38 3a1i s LEU 22 N 1.49 4.36 0.00 4.79 1.43 -1.26 -5.08 118.68 124.41 3a1i s LEU 22 Ca 0.05 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 3a1i s LEU 22 Cb -0.15 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3a1i s LEU 22 CO -0.01 0.07 0.00 -0.90 0.23 0.00 0.00 176.35 175.74 3a1i n ASP 23 N 3.11 0.00 0.05 2.29 5.68 -1.26 -4.81 116.55 121.61 3a1i n ASP 23 Ca -0.07 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.08 3a1i n ASP 23 Cb 0.51 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.36 3a1i n ASP 23 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3a1i h LYS 24 N 0.00 0.16 0.00 0.11 1.79 -1.99 -3.10 116.57 113.54 3a1i h LYS 24 Ca 0.00 -0.27 -0.18 0.00 -2.18 0.00 0.00 60.65 58.01 3a1i h LYS 24 Cb 0.00 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 3a1i h LYS 24 CO 0.00 1.00 -0.89 0.00 -1.08 0.00 0.00 179.45 178.47 3a1i h THR 25 N 0.04 1.43 -0.15 -0.16 1.03 -1.99 -3.16 112.91 109.94 3a1i h THR 25 Ca -0.20 -3.04 -0.04 0.00 -0.01 0.00 0.00 66.41 63.12 3a1i h THR 25 Cb 1.96 2.70 -0.00 0.00 -1.07 0.00 0.00 68.15 71.74 3a1i h THR 25 CO 0.14 0.81 -0.06 0.00 -0.01 0.00 0.00 175.52 176.41 3a1i h ALA 26 N 1.15 0.21 0.00 0.00 0.00 -1.92 -1.34 119.26 117.36 3a1i h ALA 26 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a1i h ALA 26 Cb 1.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3a1i h ALA 26 CO 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3a1i h ARG 27 N -0.01 0.00 0.00 0.00 3.08 -1.60 -1.65 114.38 114.20 3a1i h ARG 27 Ca 0.04 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 3a1i h ARG 27 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 3a1i h ARG 27 CO 0.02 0.00 -1.89 -0.11 -1.07 0.00 0.00 179.97 176.92 3a1i n LEU 28 N -2.93 0.70 -0.05 3.04 7.94 -0.90 -4.61 117.00 120.19 3a1i n LEU 28 Ca -0.03 0.31 -0.21 0.00 -1.11 0.00 0.00 56.01 54.97 3a1i n LEU 28 Cb 0.07 0.22 -0.13 0.00 0.53 0.00 0.00 43.42 44.12 3a1i n LEU 28 CO 0.18 0.43 -0.89 -0.62 -1.11 0.00 0.00 177.39 175.38 3a1i n GLU 29 N -2.98 0.70 -0.30 1.96 1.02 -0.55 -4.53 120.64 115.95 3a1i n GLU 29 Ca -0.21 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.32 3a1i n GLU 29 Cb 1.08 -1.67 0.21 0.00 -0.02 0.00 0.00 31.44 31.04 3a1i n GLU 29 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3a1i h TRP 30 N -0.21 -0.05 -0.67 -0.32 -0.00 -1.58 -2.43 115.95 110.69 3a1i h TRP 30 Ca -0.46 0.06 0.11 0.00 -0.00 0.00 0.00 58.89 58.61 3a1i h TRP 30 Cb 1.85 0.16 -0.12 0.00 -0.00 0.00 0.00 29.16 31.05 3a1i h TRP 30 CO 0.06 -0.32 -0.38 -1.35 -0.00 0.00 0.00 178.44 176.45 3a1i h PRO 31 N 0.07 -0.15 -0.64 0.49 0.11 -1.83 0.51 132.00 130.57 3a1i h PRO 31 Ca 0.49 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.58 3a1i h PRO 31 Cb 0.93 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3a1i h PRO 31 CO -0.78 -0.10 0.27 0.00 -0.21 0.00 0.00 178.00 177.19 3a1i h ALA 32 N 0.93 1.28 -0.17 -0.75 0.00 -1.72 0.64 119.26 119.48 3a1i h ALA 32 Ca 0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3a1i h ALA 32 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3a1i h ALA 32 CO -0.74 0.54 -0.19 -0.07 0.00 0.00 0.00 179.25 178.78 3a1i h LEU 33 N 0.91 0.46 -0.87 0.00 3.38 -0.94 -1.00 115.31 117.26 3a1i h LEU 33 Ca 0.22 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3a1i h LEU 33 Cb 0.15 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3a1i h LEU 33 CO -0.02 0.86 0.32 0.40 0.09 0.00 0.00 178.44 180.09 3a1i h ILE 34 N 0.07 1.25 -0.80 1.22 2.04 0.11 -0.77 117.51 120.64 3a1i h ILE 34 Ca 0.02 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3a1i h ILE 34 Cb 0.74 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3a1i h ILE 34 CO 0.05 0.32 0.43 -0.78 0.00 0.00 0.00 178.15 178.17 3a1i h ASP 35 N 1.13 0.99 -0.40 1.72 3.58 -0.73 0.16 116.42 122.88 3a1i h ASP 35 Ca 0.26 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 3a1i h ASP 35 Cb 0.19 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3a1i h ASP 35 CO -0.02 0.80 0.09 1.23 -2.88 0.00 0.00 179.24 178.46 3a1i h GLY 36 N 1.14 0.69 1.02 -0.78 0.00 -0.33 -2.74 103.07 102.08 3a1i h GLY 36 Ca 0.28 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3a1i h GLY 36 CO -0.05 0.41 0.45 0.00 0.00 0.00 0.00 176.54 177.35 3a1i h ALA 37 N 0.94 1.07 0.00 3.60 0.00 -0.44 -0.86 119.26 123.58 3a1i h ALA 37 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a1i h ALA 37 Cb 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a1i h ALA 37 CO 0.00 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.12 3a1i n LEU 38 N -4.37 0.00 0.06 0.00 4.77 0.50 -2.13 117.00 115.83 3a1i n LEU 38 Ca 0.08 0.42 0.05 0.00 -0.03 0.00 0.00 56.01 56.53 3a1i n LEU 38 Cb 0.10 -0.42 0.47 0.00 -2.33 0.00 0.00 43.42 41.25 3a1i n LEU 38 CO 0.39 -0.30 1.13 1.23 -1.33 0.00 0.00 177.39 178.51 3a1i h GLY 39 N 1.43 0.44 1.73 -0.72 0.00 -0.90 -0.77 103.07 104.29 3a1i h GLY 39 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3a1i h GLY 39 CO 0.00 0.16 -0.56 1.76 0.00 0.00 0.00 176.54 177.91 3a1i h SER 40 N 0.43 0.32 -0.30 0.19 0.02 -1.61 -2.65 113.55 109.94 3a1i h SER 40 Ca 0.11 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 3a1i h SER 40 Cb -0.04 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3a1i h SER 40 CO -0.02 0.81 -0.14 1.88 -1.14 0.00 0.00 176.83 178.22 3a1i h TYR 41 N 0.22 0.81 -0.51 3.45 -1.99 -1.34 -0.89 116.97 116.71 3a1i h TYR 41 Ca 0.00 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.57 3a1i h TYR 41 Cb 1.05 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 3a1i h TYR 41 CO 0.02 0.83 0.31 -0.44 -0.00 0.00 0.00 178.16 178.88 3a1i h ASP 42 N 0.66 0.62 -0.65 3.88 3.32 -0.98 0.14 116.42 123.42 3a1i h ASP 42 Ca 0.11 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3a1i h ASP 42 Cb 0.61 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3a1i h ASP 42 CO 0.04 0.50 0.18 0.58 -1.72 0.00 0.00 179.24 178.82 3a1i h VAL 43 N 0.69 1.25 -0.65 -1.35 2.07 -1.14 -0.97 116.25 116.15 3a1i h VAL 43 Ca 0.18 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3a1i h VAL 43 Cb -0.01 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3a1i h VAL 43 CO -0.03 0.34 0.24 0.58 0.02 0.00 0.00 177.57 178.72 3a1i h VAL 44 N 0.95 1.24 -0.35 2.57 2.07 -0.73 0.36 116.25 122.36 3a1i h VAL 44 Ca 0.21 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3a1i h VAL 44 Cb 0.33 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3a1i h VAL 44 CO -0.00 0.31 0.15 0.44 0.02 0.00 0.00 177.57 178.48 3a1i h ASP 45 N 0.93 0.19 -0.04 0.57 3.45 -0.28 0.46 116.42 121.69 3a1i h ASP 45 Ca 0.21 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.70 3a1i h ASP 45 Cb 0.24 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3a1i h ASP 45 CO -0.01 0.15 0.01 -0.61 -1.57 0.00 0.00 179.24 177.21 3a1i h GLN 46 N 0.31 0.07 -0.80 3.56 5.75 -0.80 -1.40 115.11 121.80 3a1i h GLN 46 Ca 0.15 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3a1i h GLN 46 Cb 0.10 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3a1i h GLN 46 CO -0.13 0.29 0.51 -0.07 -2.65 0.00 0.00 178.83 176.78 3a1i h LEU 47 N -0.16 0.94 -0.88 -2.39 3.38 -0.82 -0.87 115.31 114.52 3a1i h LEU 47 Ca 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3a1i h LEU 47 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3a1i h LEU 47 CO 0.00 0.70 0.28 0.22 0.09 0.00 0.00 178.44 179.73 3a1i h TYR 48 N 1.09 1.11 -0.22 1.13 5.03 -0.80 0.13 116.97 124.45 3a1i h TYR 48 Ca 0.29 -0.08 -0.14 0.00 2.58 0.00 0.00 58.73 61.38 3a1i h TYR 48 Cb -0.09 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 37.84 3a1i h TYR 48 CO -0.01 0.86 -0.43 0.00 -1.32 0.00 0.00 178.16 177.25 3a1i h ALA 49 N 1.23 0.83 0.00 1.82 0.00 -0.67 -1.33 119.26 121.14 3a1i h ALA 49 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a1i h ALA 49 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a1i h ALA 49 CO -0.02 0.65 -0.51 -0.25 0.00 0.00 0.00 179.25 179.13 3a1i n ASP 50 N -4.01 0.59 0.00 0.00 8.00 -0.38 -4.57 116.55 116.18 3a1i n ASP 50 Ca -0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3a1i n ASP 50 Cb 0.53 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3a1i n ASP 50 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3a1i n GLU 51 N -1.89 4.59 -0.67 -1.24 2.13 0.43 -4.92 120.64 119.06 3a1i n GLU 51 Ca 0.04 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.92 3a1i n GLU 51 Cb 0.40 -0.51 0.16 0.00 0.27 0.00 0.00 31.44 31.76 3a1i n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a1i n ALA 52 N -0.15 3.20 -2.53 4.31 0.00 -0.54 -5.00 120.51 119.80 3a1i n ALA 52 Ca 0.00 -2.97 -0.42 0.00 0.00 0.00 0.00 53.44 50.04 3a1i n ALA 52 Cb 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 3a1i n ALA 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3a1i s THR 53 N -2.54 4.92 0.36 0.00 2.01 -0.99 -4.95 115.64 114.45 3a1i s THR 53 Ca 0.35 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 3a1i s THR 53 Cb 0.35 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.64 3a1i s THR 53 CO -0.07 -0.43 1.36 -0.81 -0.69 0.00 0.00 174.62 173.98 3a1i n PRO 54 N 6.01 2.30 -0.63 4.92 -0.04 -1.26 -4.96 135.00 141.34 3a1i n PRO 54 Ca -0.03 0.81 -0.31 0.00 -0.04 0.00 0.00 63.50 63.93 3a1i n PRO 54 Cb 0.48 -2.45 0.19 0.00 -0.04 0.00 0.00 33.50 31.68 3a1i n PRO 54 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3a1i n PRO 55 N 0.45 -1.55 -2.38 0.54 -0.02 -1.26 -5.01 135.00 125.77 3a1i n PRO 55 Ca 0.04 -0.42 -0.28 0.00 -2.02 0.00 0.00 63.50 60.82 3a1i n PRO 55 Cb 0.37 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 3a1i n PRO 55 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3a1i s THR 56 N -2.36 4.28 0.04 3.45 -1.32 -1.26 -4.91 115.64 113.56 3a1i s THR 56 Ca 0.61 0.23 0.02 0.00 -1.21 0.00 0.00 61.69 61.35 3a1i s THR 56 Cb -0.19 -3.67 -0.02 0.00 -1.51 0.00 0.00 72.50 67.11 3a1i s THR 56 CO 0.65 -0.72 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.37 3a1i s THR 57 N -2.95 0.53 -0.45 5.08 2.01 -1.26 -5.08 115.64 113.53 3a1i s THR 57 Ca 0.52 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.58 3a1i s THR 57 Cb -0.11 -0.58 0.14 0.00 0.01 0.00 0.00 72.50 71.96 3a1i s THR 57 CO 0.47 -0.31 0.26 -0.94 -0.69 0.00 0.00 174.62 173.41 3a1i s SER 58 N -1.38 3.48 0.14 3.53 1.04 -1.26 -4.77 113.70 114.48 3a1i s SER 58 Ca -0.08 -2.72 0.09 0.00 0.48 0.00 0.00 55.95 53.72 3a1i s SER 58 Cb -0.09 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 3a1i s SER 58 CO 0.00 -0.25 -0.21 -0.13 0.98 0.00 0.00 173.24 173.63 3a1i s ARG 59 N 0.25 1.28 0.19 4.02 0.52 -1.26 -5.13 118.95 118.81 3a1i s ARG 59 Ca 0.20 -1.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 3a1i s ARG 59 Cb -0.20 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 3a1i s ARG 59 CO -0.03 0.34 0.34 -1.21 0.02 0.00 0.00 175.30 174.75 3a1i s GLU 60 N -2.34 3.46 0.20 3.54 2.02 -1.26 -4.89 118.70 119.43 3a1i s GLU 60 Ca 0.13 -0.58 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 3a1i s GLU 60 Cb -0.08 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.27 3a1i s GLU 60 CO 0.06 0.46 0.55 -3.38 0.02 0.00 0.00 175.26 172.97 3a1i s HIS 61 N -1.85 -0.15 -0.03 1.61 -3.43 -1.26 -4.48 115.29 105.69 3a1i s HIS 61 Ca 0.35 -0.19 -0.16 0.00 -0.80 0.00 0.00 55.06 54.27 3a1i s HIS 61 Cb -0.10 0.44 0.03 0.00 -1.43 0.00 0.00 32.58 31.51 3a1i s HIS 61 CO 0.29 -0.95 0.35 0.00 -2.00 0.00 0.00 174.74 172.43 3a1i s ALA 62 N -3.87 -0.88 -0.41 -1.38 0.00 -0.40 -4.95 121.76 109.87 3a1i s ALA 62 Ca 0.09 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 3a1i s ALA 62 Cb -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3a1i s ALA 62 CO -0.02 -0.26 0.70 0.08 0.00 0.00 0.00 175.76 176.25 3a1i s VAL 63 N -1.16 4.78 0.66 0.00 1.01 -1.26 -0.56 120.40 123.87 3a1i s VAL 63 Ca -0.12 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 3a1i s VAL 63 Cb -0.05 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 3a1i s VAL 63 CO 0.04 -0.54 1.27 -2.16 0.00 0.00 0.00 175.10 173.71 3a1i s PRO 64 N 2.95 2.50 0.60 2.72 0.04 -1.26 -4.99 135.00 137.56 3a1i s PRO 64 Ca 0.26 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 3a1i s PRO 64 Cb -0.14 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3a1i s PRO 64 CO 0.19 -1.62 1.03 -1.54 0.04 0.00 0.00 177.00 175.09 3a1i s SER 65 N -1.52 6.09 0.54 6.66 1.04 -1.26 -4.81 113.70 120.44 3a1i s SER 65 Ca 0.81 1.59 0.36 0.00 0.48 0.00 0.00 55.95 59.18 3a1i s SER 65 Cb -0.35 -2.50 1.54 0.00 0.10 0.00 0.00 66.02 64.81 3a1i s SER 65 CO 0.40 -0.96 1.82 0.00 0.98 0.00 0.00 173.24 175.48 3a1i h ALA 66 N 0.14 3.07 -0.25 5.32 0.00 -1.94 0.29 119.26 125.90 3a1i h ALA 66 Ca -0.45 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3a1i h ALA 66 Cb 1.20 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3a1i h ALA 66 CO 0.60 -1.40 -0.39 0.77 0.00 0.00 0.00 179.25 178.83 3a1i h SER 67 N 0.00 0.78 -0.36 0.00 0.02 -1.99 -3.01 113.55 108.99 3a1i h SER 67 Ca 0.54 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3a1i h SER 67 Cb 2.16 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3a1i h SER 67 CO -0.01 1.15 0.00 -1.84 -1.14 0.00 0.00 176.83 174.99 3a1i n GLU 68 N -4.20 2.13 -2.82 3.45 0.28 0.90 -3.92 120.64 116.46 3a1i n GLU 68 Ca -0.05 -1.43 -0.12 0.00 -0.16 0.00 0.00 57.16 55.41 3a1i n GLU 68 Cb 0.53 -1.42 0.01 0.00 1.43 0.00 0.00 31.44 31.99 3a1i n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3a1i n ASN 69 N 0.56 1.19 -0.25 -1.84 5.15 -0.47 -4.79 115.26 114.80 3a1i n ASN 69 Ca 0.13 -2.80 0.23 0.00 -0.60 0.00 0.00 54.58 51.54 3a1i n ASN 69 Cb 0.41 -0.52 0.57 0.00 -0.53 0.00 0.00 39.78 39.71 3a1i n ASN 69 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3a1i h PRO 70 N 2.99 0.28 -0.11 1.20 0.13 -1.66 -1.75 132.00 133.08 3a1i h PRO 70 Ca -0.04 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3a1i h PRO 70 Cb 1.12 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3a1i h PRO 70 CO 0.49 0.18 0.00 1.28 -0.23 0.00 0.00 178.00 179.72 3a1i n LEU 71 N -4.46 2.90 -2.03 1.56 4.77 -1.26 -4.91 117.00 113.57 3a1i n LEU 71 Ca 0.21 -1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 54.85 3a1i n LEU 71 Cb 0.82 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.81 3a1i n LEU 71 CO 0.32 0.53 -0.24 -1.20 -1.33 0.00 0.00 177.39 175.48 3a1i n SER 72 N 1.23 -5.69 0.15 -1.43 7.64 -0.66 -1.63 113.62 113.23 3a1i n SER 72 Ca 0.14 0.19 0.09 0.00 1.01 0.00 0.00 58.87 60.30 3a1i n SER 72 Cb 0.54 -4.82 0.07 0.00 -1.01 0.00 0.00 64.21 58.99 3a1i n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a1i h ALA 73 N 0.58 0.77 -2.65 -0.43 0.00 -1.89 -3.42 119.26 112.22 3a1i h ALA 73 Ca -0.46 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 3a1i h ALA 73 Cb 1.35 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 3a1i h ALA 73 CO 0.59 0.23 -0.23 -1.58 0.00 0.00 0.00 179.25 178.26 3a1i s TRP 74 N -3.17 3.53 -0.19 0.00 0.23 -1.26 -0.98 118.94 117.10 3a1i s TRP 74 Ca 0.03 0.76 -0.15 0.00 -2.03 0.00 0.00 56.10 54.72 3a1i s TRP 74 Cb 0.07 -2.15 -0.08 0.00 0.03 0.00 0.00 33.47 31.34 3a1i s TRP 74 CO 0.73 0.45 -0.32 0.98 0.96 0.00 0.00 176.95 179.75 3a1i n TYR 75 N 0.50 0.00 -3.85 -1.98 9.36 -0.51 -4.66 117.16 116.02 3a1i n TYR 75 Ca -0.05 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.06 3a1i n TYR 75 Cb 0.52 -0.63 -0.09 0.00 -0.63 0.00 0.00 39.34 38.51 3a1i n TYR 75 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3a1i s VAL 76 N -2.67 0.09 0.18 2.97 -7.23 -1.23 -4.62 120.40 107.90 3a1i s VAL 76 Ca -0.30 -0.74 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 3a1i s VAL 76 Cb 0.08 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 3a1i s VAL 76 CO 0.41 -0.41 0.09 0.42 -0.31 0.00 0.00 175.10 175.30 3a1i s THR 77 N -1.81 4.17 0.36 5.32 -4.23 0.27 -1.77 115.64 117.96 3a1i s THR 77 Ca -0.11 -1.28 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 3a1i s THR 77 Cb -0.05 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.67 3a1i s THR 77 CO 0.00 -0.16 0.58 0.42 -0.54 0.00 0.00 174.62 174.93 3a1i s THR 78 N -1.83 0.00 -0.45 3.99 -4.23 -0.38 -1.27 115.64 111.47 3a1i s THR 78 Ca 0.30 -1.40 0.07 0.00 -1.18 0.00 0.00 61.69 59.48 3a1i s THR 78 Cb -0.09 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.28 3a1i s THR 78 CO 0.22 0.00 0.68 -0.24 -0.54 0.00 0.00 174.62 174.74 3a1i n SER 79 N -1.39 -1.51 -4.56 3.99 2.88 -1.23 -4.27 113.62 107.53 3a1i n SER 79 Ca -0.02 -2.95 -0.42 0.00 -1.33 0.00 0.00 58.87 54.15 3a1i n SER 79 Cb 0.61 0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 64.64 3a1i n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3a1i s ILE 80 N -0.10 4.76 0.56 2.46 1.01 -0.70 -4.95 121.20 124.24 3a1i s ILE 80 Ca 0.33 0.62 -0.19 0.00 0.00 0.00 0.00 60.65 61.41 3a1i s ILE 80 Cb 0.17 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3a1i s ILE 80 CO -0.17 -0.50 1.13 -2.16 0.00 0.00 0.00 174.94 173.25 3a1i s PRO 81 N 3.03 3.26 0.70 2.79 0.04 -1.26 -1.55 135.00 142.01 3a1i s PRO 81 Ca 0.28 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 3a1i s PRO 81 Cb -0.13 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3a1i s PRO 81 CO 0.18 -0.92 1.14 -1.25 0.04 0.00 0.00 177.00 176.19 3a1i s PRO 82 N -3.37 2.49 0.09 0.56 0.04 -1.18 -4.91 135.00 128.73 3a1i s PRO 82 Ca 0.73 1.51 0.23 0.00 0.04 0.00 0.00 61.00 63.51 3a1i s PRO 82 Cb -0.24 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.52 3a1i s PRO 82 CO 0.29 -1.51 1.10 0.25 0.04 0.00 0.00 177.00 177.17 3a1i n THR 83 N -2.62 0.30 -3.63 1.26 -2.24 -0.43 -4.94 114.28 101.98 3a1i n THR 83 Ca 0.11 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 3a1i n THR 83 Cb 0.51 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 3a1i n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3a1i s SER 84 N -4.29 -0.24 0.32 3.42 0.01 -1.21 -4.99 113.70 106.72 3a1i s SER 84 Ca 0.03 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 3a1i s SER 84 Cb 0.13 0.47 -0.08 0.00 0.21 0.00 0.00 66.02 66.76 3a1i s SER 84 CO 0.78 -0.84 0.70 -1.81 0.41 0.00 0.00 173.24 172.47 3a1i s ASP 85 N -2.75 6.65 0.00 2.44 -0.00 -1.26 -1.86 116.67 119.89 3a1i s ASP 85 Ca 0.02 1.13 0.00 0.00 -0.00 0.00 0.00 52.55 53.70 3a1i s ASP 85 Cb 0.02 -2.31 0.00 0.00 -0.00 0.00 0.00 42.92 40.62 3a1i s ASP 85 CO -0.11 -0.23 0.00 0.61 -0.00 0.00 0.00 175.17 175.43 3a1i n GLY 86 N -0.61 1.46 0.00 0.21 0.00 -1.04 -4.57 105.19 100.63 3a1i n GLY 86 Ca 0.02 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.41 3a1i n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a1i n VAL 87 N 0.00 1.25 0.27 1.61 0.24 -1.01 -1.94 118.33 118.74 3a1i n VAL 87 Ca 0.00 0.31 0.03 0.00 -2.04 0.00 0.00 64.34 62.65 3a1i n VAL 87 Cb 0.00 -1.24 0.03 0.00 -1.47 0.00 0.00 33.84 31.16 3a1i n VAL 87 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3a1i n LEU 88 N -1.37 1.60 -4.57 1.34 4.77 0.49 -5.04 117.00 114.21 3a1i n LEU 88 Ca 0.02 -1.04 -0.53 0.00 -0.03 0.00 0.00 56.01 54.43 3a1i n LEU 88 Cb 0.04 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3a1i n LEU 88 CO 0.04 0.33 0.84 0.41 -1.33 0.00 0.00 177.39 177.68 3a1i n THR 89 N 0.37 0.03 -0.51 -5.08 -1.04 -0.82 -0.83 114.28 106.40 3a1i n THR 89 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3a1i n THR 89 Cb 0.18 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 3a1i n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a1i n GLY 90 N 2.33 0.95 3.71 3.41 0.00 -1.24 -4.98 105.19 109.38 3a1i n GLY 90 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3a1i n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1i s ARG 91 N -0.40 2.59 0.07 1.61 1.81 -0.01 -5.03 118.95 119.60 3a1i s ARG 91 Ca 0.00 -0.96 0.06 0.00 -1.72 0.00 0.00 55.73 53.11 3a1i s ARG 91 Cb 0.00 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 3a1i s ARG 91 CO 0.00 0.49 -0.08 1.03 -0.68 0.00 0.00 175.30 176.06 3a1i s ARG 92 N -2.79 2.30 -0.01 3.54 0.52 -1.26 -1.39 118.95 119.85 3a1i s ARG 92 Ca 0.28 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3a1i s ARG 92 Cb -0.10 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.98 3a1i s ARG 92 CO 0.20 0.54 -0.06 0.54 0.02 0.00 0.00 175.30 176.53 3a1i s VAL 93 N -1.17 0.54 -0.10 3.52 0.11 -0.37 -2.04 120.40 120.89 3a1i s VAL 93 Ca 0.21 -0.25 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 3a1i s VAL 93 Cb -0.11 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 3a1i s VAL 93 CO 0.13 0.17 0.20 0.00 -3.33 0.00 0.00 175.10 172.26 3a1i s ALA 94 N 0.09 3.83 -0.18 1.54 0.00 -0.16 -0.79 121.76 126.09 3a1i s ALA 94 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 3a1i s ALA 94 Cb -0.05 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 3a1i s ALA 94 CO -0.00 0.57 -0.04 0.42 0.00 0.00 0.00 175.76 176.71 3a1i s ILE 95 N -0.96 3.74 0.28 0.00 -1.09 0.60 -1.35 121.20 122.42 3a1i s ILE 95 Ca 0.17 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 3a1i s ILE 95 Cb -0.13 -2.66 -0.13 0.00 -1.58 0.00 0.00 42.46 37.96 3a1i s ILE 95 CO 0.06 0.46 1.36 1.17 -1.23 0.00 0.00 174.94 176.76 3a1i n LYS 96 N 3.96 2.08 0.00 2.79 4.81 -0.81 0.20 118.16 131.19 3a1i n LYS 96 Ca -0.17 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3a1i n LYS 96 Cb 0.52 -2.36 0.01 0.00 0.02 0.00 0.00 35.03 33.22 3a1i n LYS 96 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3a1i n ASP 97 N 1.58 0.00 -0.30 3.14 4.64 0.20 -1.00 116.55 124.81 3a1i n ASP 97 Ca 0.09 0.47 0.14 0.00 -1.38 0.00 0.00 54.79 54.10 3a1i n ASP 97 Cb 0.33 -0.47 0.57 0.00 -1.04 0.00 0.00 41.12 40.52 3a1i n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3a1i n ASN 98 N -1.47 1.00 -4.45 1.67 2.04 -1.26 -3.47 115.26 109.32 3a1i n ASN 98 Ca 0.00 -1.14 -0.35 0.00 -0.44 0.00 0.00 54.58 52.65 3a1i n ASN 98 Cb 0.01 0.01 -0.12 0.00 -2.53 0.00 0.00 39.78 37.15 3a1i n ASN 98 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3a1i s VAL 99 N -2.19 4.09 0.27 3.53 1.01 -0.17 0.26 120.40 127.21 3a1i s VAL 99 Ca 0.35 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 3a1i s VAL 99 Cb 0.21 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 3a1i s VAL 99 CO 0.40 0.40 1.32 0.42 0.00 0.00 0.00 175.10 177.64 3a1i s THR 100 N 1.19 2.90 -0.26 3.92 -4.23 -0.64 -4.85 115.64 113.66 3a1i s THR 100 Ca 0.03 0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 61.35 3a1i s THR 100 Cb -0.14 -3.53 0.08 0.00 1.34 0.00 0.00 72.50 70.25 3a1i s THR 100 CO 0.02 0.16 0.07 -0.69 -0.54 0.00 0.00 174.62 173.64 3a1i s VAL 101 N -0.56 0.72 0.17 2.29 1.01 -1.25 -1.63 120.40 121.16 3a1i s VAL 101 Ca 0.53 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 3a1i s VAL 101 Cb -0.39 -1.39 -0.17 0.00 0.00 0.00 0.00 36.38 34.43 3a1i s VAL 101 CO 0.46 -0.47 0.79 0.00 0.00 0.00 0.00 175.10 175.89 3a1i n ALA 102 N 4.94 -2.31 -0.93 5.51 0.00 -1.10 -1.47 120.51 125.15 3a1i n ALA 102 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3a1i n ALA 102 Cb 0.44 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3a1i n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1i n GLY 103 N 1.80 0.57 3.22 0.00 0.00 -0.77 -4.82 105.19 105.18 3a1i n GLY 103 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3a1i n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1i s VAL 104 N -2.53 1.73 0.83 1.61 1.01 -0.54 -4.58 120.40 117.93 3a1i s VAL 104 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 3a1i s VAL 104 Cb 0.00 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 35.02 3a1i s VAL 104 CO 0.00 0.49 1.19 -2.84 0.00 0.00 0.00 175.10 173.94 3a1i s PRO 105 N -0.29 1.51 -0.11 2.72 0.02 -1.26 -3.97 135.00 133.62 3a1i s PRO 105 Ca 0.02 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 3a1i s PRO 105 Cb -0.11 -1.77 0.08 0.00 0.02 0.00 0.00 34.50 32.72 3a1i s PRO 105 CO 0.01 -2.29 0.72 0.00 -0.33 0.00 0.00 177.00 175.11 3a1i s MET 106 N -4.29 0.97 0.00 5.54 0.23 0.50 -4.96 119.30 117.29 3a1i s MET 106 Ca 0.71 0.42 0.00 0.00 -1.03 0.00 0.00 55.69 55.79 3a1i s MET 106 Cb -0.27 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 3a1i s MET 106 CO 0.52 -0.26 0.01 0.00 -2.03 0.00 0.00 175.02 173.26 3a1i n MET 107 N 1.30 0.44 -3.79 3.16 0.00 -1.26 -3.23 117.12 113.75 3a1i n MET 107 Ca -0.17 -0.01 -0.23 0.00 0.00 0.00 0.00 57.70 57.29 3a1i n MET 107 Cb 0.57 -0.12 0.02 0.00 0.00 0.00 0.00 33.22 33.68 3a1i n MET 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3a1i n ASN 108 N -0.07 -1.34 -1.49 3.17 5.15 -1.23 -1.31 115.26 118.15 3a1i n ASN 108 Ca 0.00 -0.87 -0.07 0.00 -0.60 0.00 0.00 54.58 53.04 3a1i n ASN 108 Cb 0.04 -3.76 -0.02 0.00 -0.53 0.00 0.00 39.78 35.50 3a1i n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a1i n GLY 109 N -1.69 0.41 3.20 8.20 0.00 -1.19 -1.60 105.19 112.53 3a1i n GLY 109 Ca -0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3a1i n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a1i s SER 110 N -1.70 2.07 0.50 1.61 0.15 -0.43 -1.62 113.70 114.28 3a1i s SER 110 Ca 0.00 -0.52 0.29 0.00 0.70 0.00 0.00 55.95 56.42 3a1i s SER 110 Cb 0.00 -0.14 1.07 0.00 -1.71 0.00 0.00 66.02 65.24 3a1i s SER 110 CO 0.00 0.07 1.88 0.03 1.20 0.00 0.00 173.24 176.42 3a1i h ARG 111 N 4.75 0.00 0.00 5.44 2.47 -1.88 -2.36 114.38 122.79 3a1i h ARG 111 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 3a1i h ARG 111 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3a1i h ARG 111 CO 0.43 0.08 0.00 0.25 0.56 0.00 0.00 179.97 181.29 3a1i n THR 112 N -3.19 0.00 0.00 2.04 -2.24 -1.26 -3.77 114.28 105.86 3a1i n THR 112 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3a1i n THR 112 Cb 0.38 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 3a1i n THR 112 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3a1i n VAL 113 N -0.91 0.00 -1.56 2.28 0.31 -1.11 -3.75 118.33 113.59 3a1i n VAL 113 Ca 0.17 0.00 -0.57 0.00 -0.01 0.00 0.00 64.34 63.93 3a1i n VAL 113 Cb 0.08 -0.27 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 3a1i n VAL 113 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3a1i n GLU 114 N -0.94 0.46 0.00 5.55 2.13 -0.91 -2.19 120.64 124.73 3a1i n GLU 114 Ca 0.00 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3a1i n GLU 114 Cb 0.15 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.13 3a1i n GLU 114 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1i n GLY 115 N 2.16 0.84 3.76 8.31 0.00 -1.25 -5.01 105.19 114.01 3a1i n GLY 115 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3a1i n GLY 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a1i s PHE 116 N -2.00 3.66 -0.31 1.61 5.36 -0.93 -4.94 117.98 120.42 3a1i s PHE 116 Ca 0.00 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.12 3a1i s PHE 116 Cb 0.00 -2.57 0.09 0.00 -0.34 0.00 0.00 43.02 40.20 3a1i s PHE 116 CO 0.00 0.34 0.04 -0.08 -1.46 0.00 0.00 175.22 174.07 3a1i s THR 117 N -0.12 1.72 0.85 0.12 -1.32 -1.26 -0.37 115.64 115.26 3a1i s THR 117 Ca 0.30 -1.85 -0.12 0.00 -1.21 0.00 0.00 61.69 58.80 3a1i s THR 117 Cb -0.18 -2.22 0.11 0.00 -1.51 0.00 0.00 72.50 68.71 3a1i s THR 117 CO 0.16 -0.53 1.18 -2.16 -2.21 0.00 0.00 174.62 171.06 3a1i s PRO 118 N 1.21 1.37 -0.00 7.08 0.04 -1.25 -4.81 135.00 138.63 3a1i s PRO 118 Ca 0.07 1.67 0.14 0.00 0.04 0.00 0.00 61.00 62.93 3a1i s PRO 118 Cb -0.18 -1.75 -0.16 0.00 0.04 0.00 0.00 34.50 32.44 3a1i s PRO 118 CO -0.13 -2.40 0.60 -1.13 0.04 0.00 0.00 177.00 173.98 3a1i n SER 119 N -3.70 0.70 -4.40 6.66 3.41 -1.26 -1.85 113.62 113.17 3a1i n SER 119 Ca 0.13 -0.82 -0.26 0.00 -0.26 0.00 0.00 58.87 57.66 3a1i n SER 119 Cb 0.51 1.01 -0.12 0.00 -0.26 0.00 0.00 64.21 65.36 3a1i n SER 119 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3a1i s ARG 120 N -2.37 1.45 -0.14 4.33 0.52 -1.26 -4.73 118.95 116.75 3a1i s ARG 120 Ca 0.05 -1.48 -0.12 0.00 -0.52 0.00 0.00 55.73 53.66 3a1i s ARG 120 Cb 0.11 -1.74 -0.05 0.00 0.52 0.00 0.00 34.95 33.79 3a1i s ARG 120 CO 0.59 0.38 0.24 -0.51 0.02 0.00 0.00 175.30 176.01 3a1i s ASP 121 N -2.60 6.42 0.86 0.23 1.01 -1.26 -2.71 116.67 118.61 3a1i s ASP 121 Ca 0.19 0.49 -0.12 0.00 0.71 0.00 0.00 52.55 53.82 3a1i s ASP 121 Cb -0.08 -2.15 0.11 0.00 1.01 0.00 0.00 42.92 41.82 3a1i s ASP 121 CO 0.09 0.21 1.17 0.00 0.21 0.00 0.00 175.17 176.85 3a1i n ALA 122 N 3.01 -0.43 -0.32 5.23 0.00 -0.64 -4.78 120.51 122.58 3a1i n ALA 122 Ca -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 3a1i n ALA 122 Cb 0.53 -2.22 0.08 0.00 0.00 0.00 0.00 19.45 17.84 3a1i n ALA 122 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3a1i h THR 123 N -1.38 1.24 -0.31 0.00 2.02 -1.79 -2.05 112.91 110.63 3a1i h THR 123 Ca -0.45 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 3a1i h THR 123 Cb 1.29 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3a1i h THR 123 CO 0.43 0.24 0.06 -0.37 0.37 0.00 0.00 175.52 176.26 3a1i h VAL 124 N 1.18 1.16 -0.33 3.16 -1.51 -1.84 -0.84 116.25 117.23 3a1i h VAL 124 Ca 0.31 -0.57 -0.03 0.00 -1.23 0.00 0.00 66.70 65.18 3a1i h VAL 124 Cb -0.07 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 3a1i h VAL 124 CO -0.06 0.20 0.09 0.58 -1.23 0.00 0.00 177.57 177.15 3a1i h VAL 125 N 0.45 1.22 -0.71 7.19 2.07 -1.73 -0.69 116.25 124.04 3a1i h VAL 125 Ca 0.11 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3a1i h VAL 125 Cb 0.20 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3a1i h VAL 125 CO -0.00 0.24 0.28 0.74 0.02 0.00 0.00 177.57 178.85 3a1i h THR 126 N 0.38 1.25 -0.43 2.57 2.02 -0.97 -2.14 112.91 115.59 3a1i h THR 126 Ca 0.11 -0.78 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 3a1i h THR 126 Cb 0.28 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3a1i h THR 126 CO -0.00 0.31 -0.17 0.03 0.37 0.00 0.00 175.52 176.06 3a1i h ARG 127 N 1.02 0.82 -0.22 6.66 3.08 -0.95 -1.84 114.38 122.95 3a1i h ARG 127 Ca 0.24 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3a1i h ARG 127 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3a1i h ARG 127 CO -0.02 0.93 0.11 -0.07 -1.07 0.00 0.00 179.97 179.85 3a1i h LEU 128 N 0.73 0.29 -1.25 3.04 4.07 -0.89 -2.50 115.31 118.80 3a1i h LEU 128 Ca 0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 3a1i h LEU 128 Cb 0.68 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 3a1i h LEU 128 CO 0.05 0.32 0.09 -0.07 -1.08 0.00 0.00 178.44 177.76 3a1i h LEU 129 N 0.23 0.56 0.00 1.67 3.38 -1.28 -1.34 115.31 118.52 3a1i h LEU 129 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a1i h LEU 129 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3a1i h LEU 129 CO -0.01 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.09 3a1i n ALA 130 N -2.47 2.65 0.32 1.53 0.00 -0.70 -1.31 120.51 120.53 3a1i n ALA 130 Ca 0.03 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.34 3a1i n ALA 130 Cb 0.20 -1.51 0.10 0.00 0.00 0.00 0.00 19.45 18.24 3a1i n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a1i n ALA 131 N -1.01 2.40 0.00 0.00 0.00 -0.55 -4.53 120.51 116.81 3a1i n ALA 131 Ca 0.23 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3a1i n ALA 131 Cb 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3a1i n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1i n GLY 132 N 0.76 0.47 3.82 0.00 0.00 -0.78 -0.38 105.19 109.08 3a1i n GLY 132 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3a1i n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1i s ALA 133 N -2.00 2.83 -0.22 4.61 0.00 -0.95 -3.28 121.76 122.76 3a1i s ALA 133 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 3a1i s ALA 133 Cb 0.00 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 3a1i s ALA 133 CO 0.00 -0.73 -0.06 0.99 0.00 0.00 0.00 175.76 175.96 3a1i s THR 134 N -2.63 3.19 -0.34 0.00 2.01 -0.48 -3.09 115.64 114.29 3a1i s THR 134 Ca 0.61 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 3a1i s THR 134 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.92 3a1i s THR 134 CO 0.39 0.42 1.34 -0.69 -0.69 0.00 0.00 174.62 175.40 3a1i s VAL 135 N 1.45 4.04 -1.28 3.82 1.01 -0.60 -1.24 120.40 127.60 3a1i s VAL 135 Ca 0.05 1.14 0.27 0.00 0.00 0.00 0.00 61.98 63.44 3a1i s VAL 135 Cb -0.14 -4.17 0.21 0.00 0.00 0.00 0.00 36.38 32.28 3a1i s VAL 135 CO -0.04 -0.59 1.67 0.00 0.00 0.00 0.00 175.10 176.13 3a1i n ALA 136 N 8.08 3.01 0.00 5.51 0.00 0.03 -1.72 120.51 135.41 3a1i n ALA 136 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3a1i n ALA 136 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3a1i n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1i n GLY 137 N 1.42 -0.15 3.59 0.00 0.00 -1.25 -1.25 105.19 107.53 3a1i n GLY 137 Ca 0.09 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 3a1i n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1i s LYS 138 N -1.58 3.89 -0.14 1.61 -0.14 -0.73 -0.29 119.74 122.36 3a1i s LYS 138 Ca 0.00 -0.38 -0.14 0.00 -1.36 0.00 0.00 55.97 54.09 3a1i s LYS 138 Cb 0.00 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 32.88 3a1i s LYS 138 CO 0.00 0.17 0.32 0.00 -0.76 0.00 0.00 175.35 175.08 3a1i s ALA 139 N 0.65 3.59 0.29 5.17 0.00 0.13 -1.43 121.76 130.16 3a1i s ALA 139 Ca 0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 3a1i s ALA 139 Cb -0.13 -2.42 -0.13 0.00 0.00 0.00 0.00 23.12 20.44 3a1i s ALA 139 CO 0.02 0.11 1.28 0.28 0.00 0.00 0.00 175.76 177.45 3a1i n VAL 140 N 3.44 1.60 -4.26 0.00 0.31 -0.15 -0.63 118.33 118.65 3a1i n VAL 140 Ca -0.11 -0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 63.65 3a1i n VAL 140 Cb 0.52 -1.42 -0.10 0.00 -0.91 0.00 0.00 33.84 31.93 3a1i n VAL 140 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a1i n GLU 142 N 0.10 -0.07 -1.52 0.00 -0.58 -0.18 -3.19 120.64 115.19 3a1i n GLU 142 Ca -0.12 0.02 -0.44 0.00 -0.42 0.00 0.00 57.16 56.19 3a1i n GLU 142 Cb 0.59 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.65 3a1i n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3a1i n ASP 143 N -0.51 2.47 -1.87 1.62 4.64 -1.22 -0.36 116.55 121.32 3a1i n ASP 143 Ca 0.07 0.13 -0.16 0.00 -1.38 0.00 0.00 54.79 53.46 3a1i n ASP 143 Cb 0.53 -1.41 -0.04 0.00 -1.04 0.00 0.00 41.12 39.15 3a1i n ASP 143 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3a1i n LEU 144 N 11.81 -1.28 0.00 -2.67 4.77 -0.62 -2.72 117.00 126.28 3a1i n LEU 144 Ca 0.38 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3a1i n LEU 144 Cb 0.36 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 3a1i n LEU 144 CO 0.72 -0.54 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 3a1i n PHE 146 N -2.00 2.73 -3.64 0.00 7.35 -1.10 -4.64 117.46 116.15 3a1i n PHE 146 Ca 0.00 -2.88 -0.09 0.00 -0.76 0.00 0.00 57.45 53.72 3a1i n PHE 146 Cb 0.22 -2.06 -0.07 0.00 0.35 0.00 0.00 39.48 37.93 3a1i n PHE 146 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3a1i s SER 147 N 1.09 -0.81 0.00 -2.13 0.15 -1.26 -4.50 113.70 106.23 3a1i s SER 147 Ca 0.53 1.40 0.25 0.00 0.70 0.00 0.00 55.95 58.82 3a1i s SER 147 Cb 0.16 1.37 0.77 0.00 -1.71 0.00 0.00 66.02 66.61 3a1i s SER 147 CO -0.06 -0.23 1.58 0.61 1.20 0.00 0.00 173.24 176.34 3a1i n GLY 148 N 3.55 0.40 0.00 9.45 0.00 0.89 -1.53 105.19 117.95 3a1i n GLY 148 Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3a1i n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a1i n SER 149 N 0.52 1.49 -0.40 1.61 2.88 -1.25 -2.55 113.62 115.91 3a1i n SER 149 Ca 0.17 -0.21 0.07 0.00 -1.33 0.00 0.00 58.87 57.57 3a1i n SER 149 Cb 0.41 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.98 3a1i n SER 149 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3a1i n SER 150 N -0.31 1.61 -0.69 -3.46 3.41 -1.02 -2.53 113.62 110.63 3a1i n SER 150 Ca 0.00 -2.95 0.06 0.00 -0.26 0.00 0.00 58.87 55.72 3a1i n SER 150 Cb 0.00 -0.39 0.16 0.00 -0.26 0.00 0.00 64.21 63.72 3a1i n SER 150 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3a1i n PHE 151 N -0.90 0.49 1.02 7.33 -1.74 -1.26 -2.33 117.46 120.08 3a1i n PHE 151 Ca 0.12 -0.50 0.11 0.00 -0.56 0.00 0.00 57.45 56.63 3a1i n PHE 151 Cb 0.71 -0.02 0.03 0.00 1.52 0.00 0.00 39.48 41.72 3a1i n PHE 151 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 3a1i n THR 152 N 0.59 0.00 -1.89 1.97 -2.24 -1.26 -4.76 114.28 106.69 3a1i n THR 152 Ca 0.12 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3a1i n THR 152 Cb 0.44 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 3a1i n THR 152 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3a1i s PRO 153 N -2.89 4.19 0.59 -0.78 0.02 -1.26 -3.47 135.00 131.40 3a1i s PRO 153 Ca 0.11 2.43 0.35 0.00 0.02 0.00 0.00 61.00 63.92 3a1i s PRO 153 Cb 0.17 -3.10 1.84 0.00 0.02 0.00 0.00 34.50 33.43 3a1i s PRO 153 CO 0.76 -0.58 2.19 0.00 -0.33 0.00 0.00 177.00 179.04 3a1i h ALA 154 N 5.74 1.17 -0.07 -1.55 0.00 -1.63 -0.89 119.26 122.03 3a1i h ALA 154 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a1i h ALA 154 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3a1i h ALA 154 CO 0.85 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 179.02 3a1i n SER 155 N -3.38 1.09 0.00 0.00 3.41 -1.26 -5.02 113.62 108.46 3a1i n SER 155 Ca -0.02 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 3a1i n SER 155 Cb 0.17 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3a1i n SER 155 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a1i n GLY 156 N 1.06 2.20 3.80 5.00 0.00 -0.34 -5.06 105.19 111.85 3a1i n GLY 156 Ca 0.18 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3a1i n GLY 156 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a1i s PRO 157 N -2.07 4.41 -0.10 1.61 0.04 -1.26 -4.23 135.00 133.39 3a1i s PRO 157 Ca 0.00 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 3a1i s PRO 157 Cb 0.00 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3a1i s PRO 157 CO 0.00 0.37 0.73 0.08 0.04 0.00 0.00 177.00 178.22 3a1i s VAL 158 N -1.52 5.00 0.02 -0.36 1.01 -0.98 -4.72 120.40 118.84 3a1i s VAL 158 Ca 0.45 1.48 -0.20 0.00 0.00 0.00 0.00 61.98 63.72 3a1i s VAL 158 Cb -0.18 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3a1i s VAL 158 CO 0.23 0.18 0.57 -0.13 0.00 0.00 0.00 175.10 175.94 3a1i s ARG 159 N 1.23 4.25 0.11 2.72 0.52 -0.65 -3.19 118.95 123.95 3a1i s ARG 159 Ca 0.37 0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 55.97 3a1i s ARG 159 Cb -0.17 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.92 3a1i s ARG 159 CO 0.16 0.47 1.32 1.21 0.02 0.00 0.00 175.30 178.49 3a1i s ASN 160 N -0.53 6.92 0.00 0.23 3.84 -0.59 -4.75 114.94 120.05 3a1i s ASN 160 Ca 0.29 2.24 0.09 0.00 0.21 0.00 0.00 52.86 55.69 3a1i s ASN 160 Cb -0.18 -2.59 0.42 0.00 -0.55 0.00 0.00 41.25 38.35 3a1i s ASN 160 CO 0.17 -0.58 1.26 -0.81 -2.79 0.00 0.00 177.10 174.35 3a1i n PRO 161 N 3.78 0.04 0.09 0.43 -0.04 -1.26 -1.75 135.00 136.29 3a1i n PRO 161 Ca 0.10 0.29 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 3a1i n PRO 161 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 3a1i n PRO 161 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3a1i h TRP 162 N 0.00 0.00 -0.70 0.54 4.06 -1.90 -3.45 115.95 114.50 3a1i h TRP 162 Ca 0.00 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.05 3a1i h TRP 162 Cb 0.13 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 28.09 3a1i h TRP 162 CO 0.00 0.24 -0.23 0.34 -3.56 0.00 0.00 178.44 175.22 3a1i s ASP 163 N -5.62 -1.15 0.00 -3.49 -1.08 -0.71 -5.03 116.67 99.58 3a1i s ASP 163 Ca -0.01 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.17 3a1i s ASP 163 Cb 0.09 1.73 0.04 0.00 -1.46 0.00 0.00 42.92 43.32 3a1i s ASP 163 CO 0.79 -0.21 0.23 0.54 0.52 0.00 0.00 175.17 177.04 3a1i n ARG 164 N 5.30 0.15 -0.00 4.34 1.74 -0.97 -0.42 116.66 126.80 3a1i n ARG 164 Ca 0.07 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.21 3a1i n ARG 164 Cb 0.55 -1.07 -0.08 0.00 -1.02 0.00 0.00 32.46 30.84 3a1i n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3a1i n GLN 165 N -0.57 1.73 -4.10 5.56 1.13 -1.26 -4.73 117.38 115.14 3a1i n GLN 165 Ca 0.00 -0.05 -0.25 0.00 -1.94 0.00 0.00 57.00 54.76 3a1i n GLN 165 Cb 0.00 -1.19 -0.05 0.00 0.11 0.00 0.00 30.24 29.11 3a1i n GLN 165 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3a1i s ARG 166 N -2.51 2.86 0.65 -1.09 0.52 0.44 -0.09 118.95 119.74 3a1i s ARG 166 Ca 0.00 -0.93 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 3a1i s ARG 166 Cb 0.09 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 3a1i s ARG 166 CO 0.53 0.46 1.21 -0.85 0.02 0.00 0.00 175.30 176.67 3a1i n GLU 167 N -0.52 0.99 0.00 3.54 0.28 -0.18 -1.55 120.64 123.21 3a1i n GLU 167 Ca -0.08 0.39 0.11 0.00 -0.16 0.00 0.00 57.16 57.42 3a1i n GLU 167 Cb 0.55 -2.45 0.02 0.00 1.43 0.00 0.00 31.44 31.00 3a1i n GLU 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3a1i n ALA 168 N -1.99 3.77 0.00 -1.84 0.00 -1.19 -4.27 120.51 114.99 3a1i n ALA 168 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3a1i n ALA 168 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3a1i n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1i n GLY 169 N 1.43 -1.80 0.00 0.00 0.00 -1.26 -4.42 105.19 99.14 3a1i n GLY 169 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3a1i n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1i n GLY 170 N 0.00 1.46 0.04 -0.02 0.00 -1.05 -2.43 105.19 103.19 3a1i n GLY 170 Ca 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.20 3a1i n GLY 170 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a1i n SER 171 N 0.00 0.31 -2.04 1.61 3.41 -0.59 -4.11 113.62 112.21 3a1i n SER 171 Ca 0.00 -0.11 -0.23 0.00 -0.26 0.00 0.00 58.87 58.27 3a1i n SER 171 Cb 0.00 -0.13 0.06 0.00 -0.26 0.00 0.00 64.21 63.88 3a1i n SER 171 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3a1i n SER 172 N -1.29 6.50 -0.02 4.04 7.64 -1.13 -1.01 113.62 128.34 3a1i n SER 172 Ca 0.09 -3.33 -0.09 0.00 1.01 0.00 0.00 58.87 56.56 3a1i n SER 172 Cb 0.31 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 3a1i n SER 172 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3a1i h GLY 173 N 2.26 -0.23 0.40 0.23 0.00 -1.76 -2.46 103.07 101.51 3a1i h GLY 173 Ca 0.42 0.30 0.08 0.00 0.00 0.00 0.00 47.33 48.14 3a1i h GLY 173 CO 1.06 -0.20 0.11 -1.33 0.00 0.00 0.00 176.54 176.18 3a1i h GLY 174 N -0.29 0.60 0.55 4.60 0.00 -1.72 -1.46 103.07 105.36 3a1i h GLY 174 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3a1i h GLY 174 CO -0.34 -0.05 -0.18 1.76 0.00 0.00 0.00 176.54 177.73 3a1i h SER 175 N 0.25 -0.53 -0.63 0.19 0.02 -1.63 -1.58 113.55 109.65 3a1i h SER 175 Ca 0.24 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3a1i h SER 175 Cb 0.31 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3a1i h SER 175 CO -0.30 -0.24 0.40 0.00 -1.14 0.00 0.00 176.83 175.54 3a1i h ALA 176 N 0.64 0.80 -0.14 3.77 0.00 -1.19 -1.95 119.26 121.20 3a1i h ALA 176 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3a1i h ALA 176 Cb 0.37 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3a1i h ALA 176 CO -0.18 0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.29 3a1i h ALA 177 N 1.21 0.08 -0.79 0.00 0.00 -0.99 0.33 119.26 119.11 3a1i h ALA 177 Ca 0.23 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3a1i h ALA 177 Cb -0.05 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3a1i h ALA 177 CO -0.05 -0.49 0.51 -0.07 0.00 0.00 0.00 179.25 179.15 3a1i h LEU 178 N -0.01 0.84 -0.19 0.00 3.38 -1.10 0.37 115.31 118.60 3a1i h LEU 178 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3a1i h LEU 178 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3a1i h LEU 178 CO -0.15 0.58 -0.05 0.58 0.09 0.00 0.00 178.44 179.49 3a1i h VAL 179 N 0.99 1.29 -0.67 1.22 2.07 -0.82 -0.17 116.25 120.16 3a1i h VAL 179 Ca 0.32 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3a1i h VAL 179 Cb 0.01 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3a1i h VAL 179 CO -0.11 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.05 3a1i h ALA 180 N 0.72 0.87 0.00 1.67 0.00 0.00 -2.38 119.26 120.13 3a1i h ALA 180 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a1i h ALA 180 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a1i h ALA 180 CO 0.02 0.49 0.00 -1.71 0.00 0.00 0.00 179.25 178.05 3a1i n ASN 181 N -4.39 0.00 0.00 0.00 5.15 0.13 -4.66 115.26 111.48 3a1i n ASN 181 Ca 0.05 0.46 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 3a1i n ASN 181 Cb 0.18 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 3a1i n ASN 181 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a1i n GLY 182 N 0.57 0.54 0.17 8.20 0.00 -0.81 -4.93 105.19 108.93 3a1i n GLY 182 Ca 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.80 3a1i n GLY 182 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1i h ASP 183 N 0.00 0.00 -5.30 1.61 3.45 -1.30 -3.45 116.42 111.43 3a1i h ASP 183 Ca 0.00 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 3a1i h ASP 183 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 3a1i h ASP 183 CO 0.00 0.47 -0.48 0.68 -1.57 0.00 0.00 179.24 178.33 3a1i s VAL 184 N -3.52 0.11 -0.03 -1.35 -7.23 -1.20 -5.03 120.40 102.15 3a1i s VAL 184 Ca 0.00 -1.58 -0.08 0.00 -1.81 0.00 0.00 61.98 58.50 3a1i s VAL 184 Cb 0.11 -1.80 -0.30 0.00 0.56 0.00 0.00 36.38 34.96 3a1i s VAL 184 CO 0.71 -0.49 0.72 0.44 -0.31 0.00 0.00 175.10 176.18 3a1i h ASP 185 N 2.76 0.55 -5.59 4.85 3.32 -1.73 -3.40 116.42 117.17 3a1i h ASP 185 Ca -0.33 -0.81 -0.25 0.00 0.02 0.00 0.00 57.03 55.66 3a1i h ASP 185 Cb 1.20 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 3a1i h ASP 185 CO 0.55 1.68 -0.56 -0.36 -1.72 0.00 0.00 179.24 178.83 3a1i s PHE 186 N -2.59 1.15 -0.03 4.55 0.40 -0.97 -4.25 117.98 116.23 3a1i s PHE 186 Ca -0.14 -1.35 -0.20 0.00 -0.60 0.00 0.00 56.93 54.64 3a1i s PHE 186 Cb 0.06 -0.51 0.04 0.00 0.51 0.00 0.00 43.02 43.12 3a1i s PHE 186 CO 0.85 -0.69 0.43 0.00 0.70 0.00 0.00 175.22 176.51 3a1i s ALA 187 N -4.07 -1.10 -0.24 5.36 0.00 -0.81 -0.99 121.76 119.91 3a1i s ALA 187 Ca 0.38 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.90 3a1i s ALA 187 Cb 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3a1i s ALA 187 CO 0.13 -0.29 0.14 0.42 0.00 0.00 0.00 175.76 176.16 3a1i s ILE 188 N -1.24 5.16 0.31 0.00 -1.09 -0.45 -1.42 121.20 122.46 3a1i s ILE 188 Ca -0.12 0.11 0.09 0.00 -2.23 0.00 0.00 60.65 58.50 3a1i s ILE 188 Cb -0.04 -3.40 -0.06 0.00 -1.58 0.00 0.00 42.46 37.38 3a1i s ILE 188 CO 0.06 0.35 -0.11 -0.83 -1.23 0.00 0.00 174.94 173.17 3a1i s GLY 189 N 1.13 2.04 0.20 6.18 0.00 -0.34 -1.93 107.32 114.60 3a1i s GLY 189 Ca 0.07 -2.00 0.09 0.00 0.00 0.00 0.00 44.72 42.88 3a1i s GLY 189 CO 0.05 -1.97 -0.05 -0.32 0.00 0.00 0.00 173.10 170.80 3a1i s GLY 190 N -3.55 1.71 -0.13 0.20 0.00 -1.26 -0.92 107.32 103.38 3a1i s GLY 190 Ca 0.31 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 3a1i s GLY 190 CO 0.15 -1.52 0.21 -0.35 0.00 0.00 0.00 173.10 171.59 3a1i s ASP 191 N -3.05 0.78 -0.02 1.64 -1.08 0.88 -2.74 116.67 113.08 3a1i s ASP 191 Ca 0.27 0.28 0.01 0.00 -0.52 0.00 0.00 52.55 52.59 3a1i s ASP 191 Cb -0.08 0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 41.80 3a1i s ASP 191 CO 0.17 -0.26 -0.00 0.00 0.52 0.00 0.00 175.17 175.59 3a1i n GLN 192 N 5.33 2.50 0.00 4.34 3.00 -1.26 -1.77 117.38 129.53 3a1i n GLN 192 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3a1i n GLN 192 Cb 0.50 -1.05 0.00 0.00 0.00 0.00 0.00 30.24 29.68 3a1i n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3a1i n GLY 193 N 3.03 -1.23 0.00 1.08 0.00 -1.26 -4.74 105.19 102.08 3a1i n GLY 193 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3a1i n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1i n GLY 194 N -0.04 -0.02 0.30 -0.02 0.00 -1.26 -2.42 105.19 101.73 3a1i n GLY 194 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3a1i n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1i h ALA 195 N 0.00 1.20 0.05 4.61 0.00 -1.74 0.21 119.26 123.59 3a1i h ALA 195 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 3a1i h ALA 195 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3a1i h ALA 195 CO 0.00 -0.20 -2.01 -0.89 0.00 0.00 0.00 179.25 176.15 3a1i n ILE 196 N -2.79 1.62 -0.01 0.00 5.41 -1.11 -2.84 119.36 119.65 3a1i n ILE 196 Ca -0.02 -0.44 -0.18 0.00 1.00 0.00 0.00 62.75 63.11 3a1i n ILE 196 Cb 0.26 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.34 3a1i n ILE 196 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3a1i h ARG 197 N -0.37 0.69 0.86 0.38 3.08 -1.65 -3.23 114.38 114.14 3a1i h ARG 197 Ca -0.48 -0.61 -0.04 0.00 0.07 0.00 0.00 59.98 58.91 3a1i h ARG 197 Cb 1.77 0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.97 3a1i h ARG 197 CO -0.10 1.22 -0.41 0.82 -1.07 0.00 0.00 179.97 180.42 3a1i h ILE 198 N 0.37 0.14 -0.51 2.04 2.04 -0.84 -0.74 117.51 120.00 3a1i h ILE 198 Ca -0.07 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3a1i h ILE 198 Cb 1.41 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3a1i h ILE 198 CO 0.16 0.00 0.26 1.55 0.00 0.00 0.00 178.15 180.12 3a1i h PRO 199 N -1.18 0.71 -0.03 2.37 0.13 -1.74 -0.90 132.00 131.36 3a1i h PRO 199 Ca -0.12 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3a1i h PRO 199 Cb 0.89 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3a1i h PRO 199 CO 0.19 0.54 -0.02 0.00 -0.23 0.00 0.00 178.00 178.48 3a1i h ALA 200 N 1.58 0.01 -0.21 -0.56 0.00 -1.55 0.66 119.26 119.18 3a1i h ALA 200 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3a1i h ALA 200 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3a1i h ALA 200 CO -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 179.25 178.68 3a1i h ALA 201 N 1.00 0.16 -0.67 0.00 0.00 -0.57 0.54 119.26 119.72 3a1i h ALA 201 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3a1i h ALA 201 Cb 0.06 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3a1i h ALA 201 CO -0.05 -0.46 0.36 0.74 0.00 0.00 0.00 179.25 179.84 3a1i h PHE 202 N 0.03 0.92 -0.29 0.00 0.05 -0.87 -2.79 116.94 114.00 3a1i h PHE 202 Ca 0.10 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.87 3a1i h PHE 202 Cb 0.14 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 37.80 3a1i h PHE 202 CO -0.21 0.65 0.00 0.00 -0.18 0.00 0.00 178.31 178.58 3a1i n GLY 204 N 1.30 -0.02 3.56 0.00 0.00 -0.07 -4.81 105.19 105.15 3a1i n GLY 204 Ca 0.17 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3a1i n GLY 204 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a1i n VAL 205 N -3.96 0.00 -3.57 1.61 0.24 -0.01 -4.79 118.33 107.84 3a1i n VAL 205 Ca -0.09 -2.40 -0.37 0.00 -2.04 0.00 0.00 64.34 59.45 3a1i n VAL 205 Cb 0.58 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 3a1i n VAL 205 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3a1i s VAL 206 N -2.90 5.22 -0.05 3.34 1.01 0.11 -4.17 120.40 122.95 3a1i s VAL 206 Ca 0.06 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 3a1i s VAL 206 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3a1i s VAL 206 CO 0.04 0.51 -0.01 -0.83 0.00 0.00 0.00 175.10 174.81 3a1i s GLY 207 N -0.44 0.40 -0.21 4.51 0.00 -0.58 -0.66 107.32 110.35 3a1i s GLY 207 Ca 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.90 3a1i s GLY 207 CO 0.08 0.86 -0.15 -1.58 0.00 0.00 0.00 173.10 172.31 3a1i s HIS 208 N 1.51 2.93 -0.52 1.90 2.46 -0.73 -0.28 115.29 122.58 3a1i s HIS 208 Ca -0.02 -1.75 -0.18 0.00 0.47 0.00 0.00 55.06 53.58 3a1i s HIS 208 Cb -0.13 -1.95 0.07 0.00 -0.13 0.00 0.00 32.58 30.44 3a1i s HIS 208 CO -0.03 -0.80 0.59 0.21 -2.47 0.00 0.00 174.74 172.24 3a1i s LYS 209 N 1.26 3.07 1.16 2.88 2.20 -0.15 -3.63 119.74 126.54 3a1i s LYS 209 Ca 0.01 -1.11 -0.15 0.00 -0.36 0.00 0.00 55.97 54.37 3a1i s LYS 209 Cb -0.15 -4.15 0.27 0.00 -1.51 0.00 0.00 37.83 32.29 3a1i s LYS 209 CO -0.10 -1.26 1.04 -2.14 -0.36 0.00 0.00 175.35 172.54 3a1i s PRO 210 N 2.40 -0.86 0.32 4.03 0.02 -1.26 -0.60 135.00 139.05 3a1i s PRO 210 Ca 0.12 0.50 -0.29 0.00 0.02 0.00 0.00 61.00 61.35 3a1i s PRO 210 Cb -0.22 -1.59 -0.12 0.00 0.02 0.00 0.00 34.50 32.59 3a1i s PRO 210 CO 0.09 -3.60 1.33 2.41 -0.33 0.00 0.00 177.00 176.91 3a1i n THR 211 N -4.78 1.74 -1.68 0.99 -1.04 -1.26 -4.47 114.28 103.78 3a1i n THR 211 Ca 0.06 -0.44 -0.45 0.00 -2.04 0.00 0.00 64.05 61.18 3a1i n THR 211 Cb 0.57 -1.58 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 3a1i n THR 211 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3a1i n PHE 212 N 0.74 2.34 0.00 -1.42 7.35 -0.49 -1.66 117.46 124.32 3a1i n PHE 212 Ca 0.06 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 3a1i n PHE 212 Cb 0.35 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.63 3a1i n PHE 212 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3a1i n GLY 213 N 3.40 1.68 0.10 7.13 0.00 -1.26 -4.92 105.19 111.32 3a1i n GLY 213 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3a1i n GLY 213 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a1i h LEU 214 N 0.00 -0.11 -9.16 0.99 5.85 -1.67 -3.41 115.31 107.79 3a1i h LEU 214 Ca 0.00 -0.39 -0.60 0.00 0.84 0.00 0.00 57.88 57.73 3a1i h LEU 214 Cb 0.00 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 40.94 3a1i h LEU 214 CO 0.00 0.36 -0.27 -0.69 -0.34 0.00 0.00 178.44 177.51 3a1i s VAL 215 N -4.16 5.24 0.29 1.05 1.01 -1.26 -1.04 120.40 121.53 3a1i s VAL 215 Ca -0.15 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 3a1i s VAL 215 Cb 0.01 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 3a1i s VAL 215 CO 0.60 0.29 1.53 -2.16 0.00 0.00 0.00 175.10 175.37 3a1i s PRO 216 N 1.11 4.17 0.07 2.72 0.04 -1.26 -4.67 135.00 137.18 3a1i s PRO 216 Ca 0.17 2.49 0.25 0.00 0.04 0.00 0.00 61.00 63.95 3a1i s PRO 216 Cb -0.14 -3.04 0.56 0.00 0.04 0.00 0.00 34.50 31.92 3a1i s PRO 216 CO 0.07 -0.55 1.47 0.98 0.04 0.00 0.00 177.00 179.01 3a1i n TYR 217 N 1.97 0.32 -1.42 0.56 9.36 -1.26 -4.69 117.16 122.01 3a1i n TYR 217 Ca 0.07 0.09 -0.59 0.00 3.32 0.00 0.00 57.90 60.79 3a1i n TYR 217 Cb 0.38 -0.52 -0.10 0.00 -0.63 0.00 0.00 39.34 38.48 3a1i n TYR 217 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3a1i n THR 218 N -1.83 0.00 0.00 2.97 -1.04 -1.26 -1.08 114.28 112.04 3a1i n THR 218 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3a1i n THR 218 Cb 0.39 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 3a1i n THR 218 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a1i n GLY 219 N 4.77 1.26 3.88 3.41 0.00 -1.26 -2.25 105.19 115.00 3a1i n GLY 219 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 3a1i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1i s ALA 220 N -2.29 3.77 -0.13 4.61 0.00 -0.24 -1.63 121.76 125.85 3a1i s ALA 220 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3a1i s ALA 220 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3a1i s ALA 220 CO 0.00 0.61 1.67 0.12 0.00 0.00 0.00 175.76 178.17 3a1i s PHE 221 N -1.43 1.98 0.77 0.00 5.36 0.14 -4.98 117.98 119.82 3a1i s PHE 221 Ca 0.33 0.36 -0.11 0.00 -0.96 0.00 0.00 56.93 56.55 3a1i s PHE 221 Cb -0.13 -3.95 0.06 0.00 -0.34 0.00 0.00 43.02 38.66 3a1i s PHE 221 CO 0.19 -3.49 1.08 -2.14 -1.46 0.00 0.00 175.22 169.41 3a1i s PRO 222 N 4.44 2.27 0.13 10.12 0.02 -1.26 -4.99 135.00 145.73 3a1i s PRO 222 Ca 0.74 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.79 3a1i s PRO 222 Cb -0.30 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3a1i s PRO 222 CO 0.30 -1.60 0.00 -0.89 -0.33 0.00 0.00 177.00 174.48 3a1i n ILE 223 N -3.47 0.90 -3.42 2.83 5.41 -1.26 -4.73 119.36 115.62 3a1i n ILE 223 Ca 0.08 0.30 -0.14 0.00 1.00 0.00 0.00 62.75 63.99 3a1i n ILE 223 Cb 0.54 -1.36 -0.10 0.00 -0.71 0.00 0.00 39.64 38.00 3a1i n ILE 223 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3a1i s GLU 224 N -2.00 0.28 0.28 0.38 -6.30 -1.26 -2.96 118.70 107.12 3a1i s GLU 224 Ca 0.00 0.36 0.05 0.00 -2.50 0.00 0.00 54.97 52.88 3a1i s GLU 224 Cb 0.00 -0.82 0.77 0.00 0.00 0.00 0.00 34.13 34.07 3a1i s GLU 224 CO 0.00 -0.66 1.39 -2.13 0.02 0.00 0.00 175.26 173.88 3a1i n ARG 225 N 5.34 -0.07 0.00 4.30 0.63 -1.26 -0.90 116.66 124.71 3a1i n ARG 225 Ca -0.04 1.31 0.13 0.00 -0.92 0.00 0.00 57.85 58.32 3a1i n ARG 225 Cb 0.50 -2.12 0.68 0.00 0.45 0.00 0.00 32.46 31.97 3a1i n ARG 225 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3a1i n THR 226 N -5.24 0.13 -0.38 5.15 -2.24 -1.26 -3.39 114.28 107.05 3a1i n THR 226 Ca 0.23 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 3a1i n THR 226 Cb 0.76 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3a1i n THR 226 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3a1i n ILE 227 N -1.20 0.33 -2.39 2.28 -5.35 -0.07 -4.78 119.36 108.17 3a1i n ILE 227 Ca 0.14 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.73 3a1i n ILE 227 Cb 0.17 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.05 3a1i n ILE 227 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3a1i s ASP 228 N -0.33 7.05 -0.01 7.28 1.01 -1.02 -4.13 116.67 126.52 3a1i s ASP 228 Ca 0.00 2.06 -0.02 0.00 0.71 0.00 0.00 52.55 55.30 3a1i s ASP 228 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 3a1i s ASP 228 CO 0.00 -0.49 0.05 -1.00 0.21 0.00 0.00 175.17 173.94 3a1i s HIS 229 N 1.02 0.01 0.05 4.23 3.76 -0.73 -4.79 115.29 118.85 3a1i s HIS 229 Ca 0.59 -0.02 0.09 0.00 -0.15 0.00 0.00 55.06 55.57 3a1i s HIS 229 Cb -0.31 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 3a1i s HIS 229 CO 0.30 -0.09 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.35 3a1i s LEU 230 N -0.43 2.36 0.26 0.89 1.43 -1.26 -0.08 118.68 121.84 3a1i s LEU 230 Ca -0.05 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 3a1i s LEU 230 Cb -0.03 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.88 3a1i s LEU 230 CO 0.00 0.25 0.90 -0.83 0.23 0.00 0.00 176.35 176.90 3a1i s GLY 231 N -1.40 0.09 0.17 -3.19 0.00 -0.10 -4.56 107.32 98.34 3a1i s GLY 231 Ca 0.13 -0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.37 3a1i s GLY 231 CO 0.04 0.66 0.52 2.56 0.00 0.00 0.00 173.10 176.87 3a1i s PRO 232 N -2.70 3.86 -0.15 2.90 0.04 -1.24 -1.20 135.00 136.51 3a1i s PRO 232 Ca 0.16 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.53 3a1i s PRO 232 Cb -0.04 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.71 3a1i s PRO 232 CO 0.07 0.43 -0.11 0.42 0.04 0.00 0.00 177.00 177.84 3a1i s ILE 233 N -1.61 1.42 0.30 0.56 1.01 -0.51 -1.76 121.20 120.62 3a1i s ILE 233 Ca 0.41 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.49 3a1i s ILE 233 Cb -0.13 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3a1i s ILE 233 CO 0.20 0.37 0.19 0.42 0.00 0.00 0.00 174.94 176.12 3a1i s THR 234 N 1.54 0.18 0.01 2.92 -4.23 0.17 -1.92 115.64 114.31 3a1i s THR 234 Ca 0.04 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 3a1i s THR 234 Cb -0.13 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.07 3a1i s THR 234 CO -0.10 0.00 1.19 -0.09 -0.54 0.00 0.00 174.62 175.09 3a1i h ARG 235 N 2.22 0.00 -4.52 3.99 2.43 -1.85 0.32 114.38 116.97 3a1i h ARG 235 Ca -0.31 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.66 3a1i h ARG 235 Cb 1.25 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 3a1i h ARG 235 CO 0.47 0.75 -0.69 0.95 -1.51 0.00 0.00 179.97 179.94 3a1i s THR 236 N -2.77 0.54 0.26 0.20 -4.23 -1.26 -4.44 115.64 103.94 3a1i s THR 236 Ca 0.01 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 3a1i s THR 236 Cb 0.09 -1.54 0.21 0.00 1.34 0.00 0.00 72.50 72.60 3a1i s THR 236 CO 0.80 -0.87 1.87 0.58 -0.54 0.00 0.00 174.62 176.46 3a1i h VAL 237 N 3.15 1.24 -0.44 2.29 2.07 -1.92 -1.92 116.25 120.72 3a1i h VAL 237 Ca -0.35 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3a1i h VAL 237 Cb 1.16 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3a1i h VAL 237 CO 0.63 0.28 0.27 -0.74 0.02 0.00 0.00 177.57 178.03 3a1i h HIS 238 N 1.13 0.51 -0.43 1.57 -0.00 -1.96 -0.60 115.15 115.37 3a1i h HIS 238 Ca 0.28 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.60 3a1i h HIS 238 Cb 0.06 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 3a1i h HIS 238 CO 0.01 0.31 0.01 -0.44 -0.00 0.00 0.00 177.93 177.82 3a1i h ASP 239 N 0.55 0.66 -0.69 3.26 3.32 -1.90 -0.08 116.42 121.55 3a1i h ASP 239 Ca 0.17 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3a1i h ASP 239 Cb -0.02 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3a1i h ASP 239 CO -0.07 0.72 0.33 0.00 -1.72 0.00 0.00 179.24 178.51 3a1i h ALA 240 N 1.35 0.89 -0.29 3.45 0.00 -0.67 0.56 119.26 124.55 3a1i h ALA 240 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3a1i h ALA 240 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3a1i h ALA 240 CO 0.01 0.45 -0.28 0.00 0.00 0.00 0.00 179.25 179.42 3a1i h ALA 241 N 1.16 0.97 -0.20 0.00 0.00 -0.61 -1.03 119.26 119.55 3a1i h ALA 241 Ca 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3a1i h ALA 241 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a1i h ALA 241 CO -0.03 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 181.06 3a1i h LEU 242 N 0.50 0.36 -0.55 0.00 5.85 -0.40 -1.69 115.31 119.38 3a1i h LEU 242 Ca 0.07 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3a1i h LEU 242 Cb 0.75 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3a1i h LEU 242 CO 0.06 0.59 0.36 0.24 -0.34 0.00 0.00 178.44 179.35 3a1i h MET 243 N 0.12 0.72 -0.96 1.25 2.86 -0.75 -2.14 114.93 116.02 3a1i h MET 243 Ca 0.06 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3a1i h MET 243 Cb 0.41 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 3a1i h MET 243 CO 0.01 0.48 0.63 1.25 1.06 0.00 0.00 176.91 180.34 3a1i h LEU 244 N 0.74 1.04 -2.12 1.22 5.85 -1.04 0.11 115.31 121.12 3a1i h LEU 244 Ca 0.20 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3a1i h LEU 244 Cb -0.08 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 3a1i h LEU 244 CO -0.04 0.71 -0.07 0.77 -0.34 0.00 0.00 178.44 179.47 3a1i h SER 245 N 1.21 0.00 0.24 1.25 4.64 -0.64 -0.37 113.55 119.88 3a1i h SER 245 Ca 0.38 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.36 3a1i h SER 245 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3a1i h SER 245 CO -0.12 0.07 -1.88 0.58 -0.87 0.00 0.00 176.83 174.61 3a1i h VAL 246 N 0.00 0.73 0.00 0.95 2.07 -0.77 -3.40 116.25 115.83 3a1i h VAL 246 Ca -0.00 -2.47 -0.06 0.00 0.82 0.00 0.00 66.70 64.98 3a1i h VAL 246 Cb 0.25 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3a1i h VAL 246 CO 0.01 0.79 -1.42 2.30 0.02 0.00 0.00 177.57 179.27 3a1i n ILE 247 N -3.38 0.67 -1.76 4.57 -5.35 -0.40 -4.79 119.36 108.92 3a1i n ILE 247 Ca -0.27 -0.59 -0.35 0.00 -0.27 0.00 0.00 62.75 61.27 3a1i n ILE 247 Cb 1.05 -0.37 0.06 0.00 -1.74 0.00 0.00 39.64 38.64 3a1i n ILE 247 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a1i s ALA 248 N -3.24 2.38 0.00 -1.28 0.00 -0.17 -4.43 121.76 115.02 3a1i s ALA 248 Ca -0.03 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3a1i s ALA 248 Cb 0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3a1i s ALA 248 CO 0.83 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3a1i n GLY 249 N 0.24 3.40 3.69 0.00 0.00 -0.21 -4.80 105.19 107.51 3a1i n GLY 249 Ca 0.13 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 3a1i n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1i n ARG 250 N -0.11 1.33 0.00 1.61 1.74 -1.26 -4.22 116.66 115.75 3a1i n ARG 250 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3a1i n ARG 250 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 3a1i n ARG 250 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3a1i n ASP 251 N -0.96 0.66 -0.18 0.55 3.85 -1.26 -5.01 116.55 114.19 3a1i n ASP 251 Ca 0.12 -0.92 -0.02 0.00 -0.71 0.00 0.00 54.79 53.26 3a1i n ASP 251 Cb 0.45 0.10 -0.01 0.00 -1.35 0.00 0.00 41.12 40.32 3a1i n ASP 251 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a1i n GLY 252 N 0.10 0.49 0.00 6.12 0.00 -1.26 -4.82 105.19 105.82 3a1i n GLY 252 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3a1i n GLY 252 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a1i n ASN 253 N -0.22 0.42 -4.27 1.61 5.03 -1.26 -4.88 115.26 111.69 3a1i n ASN 253 Ca -0.02 -0.36 -0.39 0.00 0.87 0.00 0.00 54.58 54.67 3a1i n ASN 253 Cb 0.25 0.81 -0.11 0.00 -1.02 0.00 0.00 39.78 39.71 3a1i n ASN 253 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a1i s ASP 254 N -0.89 5.50 0.56 6.41 -1.08 -1.26 -1.93 116.67 123.96 3a1i s ASP 254 Ca 0.00 -1.35 0.32 0.00 -0.52 0.00 0.00 52.55 51.00 3a1i s ASP 254 Cb 0.00 -1.93 1.74 0.00 -1.46 0.00 0.00 42.92 41.27 3a1i s ASP 254 CO 0.00 -0.44 1.97 1.55 0.52 0.00 0.00 175.17 178.77 3a1i h PRO 255 N 8.31 0.00 0.00 4.34 0.13 -1.95 -1.14 132.00 141.69 3a1i h PRO 255 Ca -0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 3a1i h PRO 255 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3a1i h PRO 255 CO 0.68 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 178.16 3a1i h ARG 256 N 0.00 0.00 -5.74 0.86 3.08 -1.92 -3.43 114.38 107.23 3a1i h ARG 256 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3a1i h ARG 256 Cb 0.27 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.22 3a1i h ARG 256 CO 0.00 0.29 0.39 -0.65 -1.07 0.00 0.00 179.97 178.93 3a1i s GLN 257 N -3.75 4.08 0.61 0.04 -0.21 -0.43 -4.57 119.66 115.43 3a1i s GLN 257 Ca -0.00 0.73 -0.16 0.00 0.02 0.00 0.00 55.36 55.95 3a1i s GLN 257 Cb 0.11 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 30.41 3a1i s GLN 257 CO 0.66 -0.57 1.07 0.00 -2.12 0.00 0.00 175.29 174.33 3a1i s ALA 258 N 2.84 2.68 0.43 6.09 0.00 -1.26 -4.93 121.76 127.61 3a1i s ALA 258 Ca 0.32 0.44 0.18 0.00 0.00 0.00 0.00 51.96 52.90 3a1i s ALA 258 Cb -0.15 -3.25 1.10 0.00 0.00 0.00 0.00 23.12 20.82 3a1i s ALA 258 CO 0.10 -0.91 1.88 -0.44 0.00 0.00 0.00 175.76 176.38 3a1i h ASP 259 N 0.36 0.38 0.69 0.00 3.32 -1.98 -1.53 116.42 117.67 3a1i h ASP 259 Ca -0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3a1i h ASP 259 Cb 1.23 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3a1i h ASP 259 CO 0.57 0.16 0.00 -1.54 -1.72 0.00 0.00 179.24 176.71 3a1i n SER 260 N -4.49 0.00 -4.73 6.45 3.41 -1.26 -4.88 113.62 108.12 3a1i n SER 260 Ca 0.18 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 3a1i n SER 260 Cb 0.66 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3a1i n SER 260 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3a1i s VAL 261 N -2.73 2.14 -0.04 -3.33 1.01 -0.58 -5.00 120.40 111.88 3a1i s VAL 261 Ca 0.22 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3a1i s VAL 261 Cb 0.19 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3a1i s VAL 261 CO 0.46 0.01 0.14 -1.61 0.00 0.00 0.00 175.10 174.10 3a1i s GLU 262 N 0.74 0.27 0.26 2.72 0.41 -1.26 -4.56 118.70 117.28 3a1i s GLU 262 Ca 0.71 -0.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.97 3a1i s GLU 262 Cb -0.48 0.12 -0.09 0.00 -1.78 0.00 0.00 34.13 31.90 3a1i s GLU 262 CO 0.36 -0.05 1.26 0.00 -0.49 0.00 0.00 175.26 176.34 3a1i s ALA 263 N -0.42 3.49 0.37 5.21 0.00 -1.26 -4.90 121.76 124.26 3a1i s ALA 263 Ca -0.05 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3a1i s ALA 263 Cb -0.03 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3a1i s ALA 263 CO 0.01 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3a1i n GLY 264 N 1.63 0.81 3.20 0.00 0.00 -1.26 -5.06 105.19 104.51 3a1i n GLY 264 Ca 0.03 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3a1i n GLY 264 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1i s ASP 265 N -1.00 5.43 0.00 1.61 -1.08 -1.26 -4.93 116.67 115.43 3a1i s ASP 265 Ca 0.00 -1.73 0.24 0.00 -0.52 0.00 0.00 52.55 50.54 3a1i s ASP 265 Cb 0.00 -1.90 0.52 0.00 -1.46 0.00 0.00 42.92 40.07 3a1i s ASP 265 CO 0.00 -0.53 1.44 -1.22 0.52 0.00 0.00 175.17 175.38 3a1i n TYR 266 N 4.77 0.16 -0.04 -5.34 4.02 -1.26 -4.52 117.16 114.94 3a1i n TYR 266 Ca -0.07 -0.08 -0.06 0.00 -0.01 0.00 0.00 57.90 57.68 3a1i n TYR 266 Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.70 3a1i n TYR 266 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3a1i n LEU 267 N 0.98 2.84 -0.20 7.72 4.77 -1.26 -4.38 117.00 127.47 3a1i n LEU 267 Ca 0.17 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3a1i n LEU 267 Cb 0.51 -0.30 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3a1i n LEU 267 CO 0.15 0.61 0.81 0.28 -1.33 0.00 0.00 177.39 177.92 3a1i h SER 268 N -0.02 -0.34 -0.38 -1.43 0.02 -2.01 -2.35 113.55 107.04 3a1i h SER 268 Ca -0.19 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3a1i h SER 268 Cb 1.29 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 3a1i h SER 268 CO -0.04 -0.13 0.02 0.35 -1.14 0.00 0.00 176.83 175.88 3a1i n THR 269 N -5.31 2.47 -0.08 -2.27 -2.24 -1.26 -4.63 114.28 100.96 3a1i n THR 269 Ca 0.08 -1.79 0.02 0.00 -2.27 0.00 0.00 64.05 60.09 3a1i n THR 269 Cb 0.34 -0.27 0.35 0.00 -2.10 0.00 0.00 70.33 68.64 3a1i n THR 269 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3a1i h LEU 270 N 2.36 0.62 -2.61 3.22 5.85 -1.62 -2.75 115.31 120.38 3a1i h LEU 270 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3a1i h LEU 270 Cb 1.65 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3a1i h LEU 270 CO 0.34 0.46 0.00 0.47 -0.34 0.00 0.00 178.44 179.37 3a1i n ASP 271 N -4.44 3.60 -4.73 1.25 8.00 -1.26 -4.54 116.55 114.43 3a1i n ASP 271 Ca 0.05 -1.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.22 3a1i n ASP 271 Cb 0.06 -0.37 0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3a1i n ASP 271 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a1i s SER 272 N -1.14 4.45 0.51 -2.24 0.01 -1.04 -4.95 113.70 109.30 3a1i s SER 272 Ca 0.41 2.31 -0.21 0.00 1.31 0.00 0.00 55.95 59.76 3a1i s SER 272 Cb 0.22 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 3a1i s SER 272 CO 0.30 -2.09 1.19 1.51 0.41 0.00 0.00 173.24 174.56 3a1i s ASP 273 N -2.06 5.81 -0.29 2.44 3.84 -1.26 -4.92 116.67 120.23 3a1i s ASP 273 Ca 0.74 2.35 0.11 0.00 -0.00 0.00 0.00 52.55 55.75 3a1i s ASP 273 Cb -0.28 -2.60 0.65 0.00 -1.38 0.00 0.00 42.92 39.31 3a1i s ASP 273 CO 0.43 -1.17 1.66 1.33 -0.00 0.00 0.00 175.17 177.42 3a1i n VAL 274 N -0.89 2.73 -1.79 2.11 0.24 -1.26 -4.99 118.33 114.48 3a1i n VAL 274 Ca 0.10 -1.92 -0.42 0.00 -2.04 0.00 0.00 64.34 60.05 3a1i n VAL 274 Cb 0.48 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 3a1i n VAL 274 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a1i s ASP 275 N -1.55 6.51 0.00 -1.34 -1.08 -1.25 -1.81 116.67 116.15 3a1i s ASP 275 Ca 0.50 2.57 0.00 0.00 -0.52 0.00 0.00 52.55 55.10 3a1i s ASP 275 Cb 0.41 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 3a1i s ASP 275 CO 0.10 -0.99 0.00 0.61 0.52 0.00 0.00 175.17 175.40 3a1i n GLY 276 N 4.31 0.55 3.74 2.66 0.00 0.14 -4.96 105.19 111.64 3a1i n GLY 276 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3a1i n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1i s LEU 277 N 0.00 4.45 -0.21 0.99 1.43 -0.75 -4.74 118.68 119.86 3a1i s LEU 277 Ca 0.00 2.31 -0.19 0.00 -1.03 0.00 0.00 54.13 55.22 3a1i s LEU 277 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 3a1i s LEU 277 CO 0.00 -0.39 0.54 -0.13 0.23 0.00 0.00 176.35 176.60 3a1i s ARG 278 N -0.48 4.17 -0.21 1.70 0.52 -1.26 -1.83 118.95 121.56 3a1i s ARG 278 Ca 0.52 0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 56.13 3a1i s ARG 278 Cb -0.34 -3.58 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 3a1i s ARG 278 CO 0.39 -0.21 -0.05 0.42 0.02 0.00 0.00 175.30 175.88 3a1i s ILE 279 N 1.82 3.43 -0.31 1.52 1.01 -0.29 -0.04 121.20 128.35 3a1i s ILE 279 Ca 0.24 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 3a1i s ILE 279 Cb -0.15 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 3a1i s ILE 279 CO 0.10 0.44 0.19 -0.83 0.00 0.00 0.00 174.94 174.83 3a1i s GLY 280 N 1.25 1.92 -0.45 6.18 0.00 -0.30 -2.24 107.32 113.68 3a1i s GLY 280 Ca 0.03 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.19 3a1i s GLY 280 CO -0.01 0.71 0.87 -0.42 0.00 0.00 0.00 173.10 174.25 3a1i s ILE 281 N 1.69 4.55 -0.40 0.90 1.01 -0.18 -0.64 121.20 128.13 3a1i s ILE 281 Ca 0.06 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 3a1i s ILE 281 Cb -0.17 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 37.92 3a1i s ILE 281 CO 0.09 -0.77 1.42 -0.69 0.00 0.00 0.00 174.94 174.98 3a1i s VAL 282 N 3.56 3.91 0.17 2.92 1.01 -0.91 -0.90 120.40 130.16 3a1i s VAL 282 Ca 0.34 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 3a1i s VAL 282 Cb -0.11 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.17 3a1i s VAL 282 CO 0.24 -0.71 1.74 0.03 0.00 0.00 0.00 175.10 176.41 3a1i h ARG 283 N 10.64 0.29 0.00 2.72 3.08 -1.72 -1.06 114.38 128.34 3a1i h ARG 283 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3a1i h ARG 283 Cb 1.11 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3a1i h ARG 283 CO 1.08 0.19 0.00 0.39 -1.07 0.00 0.00 179.97 180.56 3a1i n GLU 284 N -5.03 0.07 0.00 0.04 4.71 -1.26 -0.64 120.64 118.52 3a1i n GLU 284 Ca 0.04 0.23 0.14 0.00 -0.01 0.00 0.00 57.16 57.55 3a1i n GLU 284 Cb 0.18 -1.50 0.52 0.00 -1.01 0.00 0.00 31.44 29.63 3a1i n GLU 284 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a1i n GLY 285 N -0.91 -0.15 3.39 0.62 0.00 -0.40 -4.90 105.19 102.84 3a1i n GLY 285 Ca 0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 3a1i n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a1i s PHE 286 N -2.09 1.85 -1.32 1.61 0.40 0.19 -4.34 117.98 114.28 3a1i s PHE 286 Ca 0.36 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 3a1i s PHE 286 Cb 0.21 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.78 3a1i s PHE 286 CO 0.37 0.33 1.15 0.41 0.70 0.00 0.00 175.22 178.18 3a1i n GLY 287 N -0.49 -0.51 3.81 4.36 0.00 -1.26 -5.00 105.19 106.10 3a1i n GLY 287 Ca -0.06 0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3a1i n GLY 287 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a1i s HIS 288 N -3.32 3.08 0.26 1.61 3.76 -1.26 -4.93 115.29 114.49 3a1i s HIS 288 Ca 0.52 1.49 -0.02 0.00 -0.15 0.00 0.00 55.06 56.90 3a1i s HIS 288 Cb -0.23 -2.96 0.45 0.00 1.11 0.00 0.00 32.58 30.95 3a1i s HIS 288 CO 0.72 -1.00 1.81 0.00 -0.85 0.00 0.00 174.74 175.42 3a1i h ALA 289 N 0.42 1.27 -2.07 -1.40 0.00 -2.02 -3.30 119.26 112.16 3a1i h ALA 289 Ca -0.47 0.03 -0.74 0.00 0.00 0.00 0.00 54.91 53.74 3a1i h ALA 289 Cb 1.21 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 3a1i h ALA 289 CO 0.58 0.11 -0.15 0.08 0.00 0.00 0.00 179.25 179.87 3a1i s VAL 290 N -6.01 5.12 -0.09 0.00 1.01 -1.26 -4.99 120.40 114.18 3a1i s VAL 290 Ca -0.12 -1.31 -0.33 0.00 0.00 0.00 0.00 61.98 60.22 3a1i s VAL 290 Cb 0.20 -4.35 0.14 0.00 0.00 0.00 0.00 36.38 32.37 3a1i s VAL 290 CO 0.79 -0.89 1.35 -0.94 0.00 0.00 0.00 175.10 175.41 3a1i s SER 291 N 3.46 -0.04 -0.35 3.32 1.04 -1.24 -4.90 113.70 114.99 3a1i s SER 291 Ca 0.05 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 3a1i s SER 291 Cb -0.28 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.01 3a1i s SER 291 CO 0.04 -0.15 0.08 -1.10 0.98 0.00 0.00 173.24 173.10 3a1i s GLN 292 N -2.23 2.15 0.38 4.02 -0.21 0.63 -5.00 119.66 119.41 3a1i s GLN 292 Ca 0.14 -1.55 0.18 0.00 0.02 0.00 0.00 55.36 54.15 3a1i s GLN 292 Cb 0.05 -3.34 1.11 0.00 1.00 0.00 0.00 33.01 31.83 3a1i s GLN 292 CO -0.05 -0.83 1.73 -1.35 -2.12 0.00 0.00 175.29 172.67 3a1i h PRO 293 N 7.97 0.37 -0.84 2.91 0.11 -1.97 0.14 132.00 140.69 3a1i h PRO 293 Ca -0.16 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.03 3a1i h PRO 293 Cb 1.05 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 3a1i h PRO 293 CO 0.60 0.24 0.48 0.93 -0.21 0.00 0.00 178.00 180.04 3a1i h GLU 294 N 0.38 0.77 0.11 1.05 5.08 -1.94 -0.23 114.58 119.79 3a1i h GLU 294 Ca 0.65 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.96 3a1i h GLU 294 Cb 1.63 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3a1i h GLU 294 CO -0.38 0.51 -0.05 0.28 -1.00 0.00 0.00 179.01 178.36 3a1i h VAL 295 N 0.79 0.99 -0.98 3.13 2.07 -1.03 -1.94 116.25 119.29 3a1i h VAL 295 Ca 0.41 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3a1i h VAL 295 Cb 0.41 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3a1i h VAL 295 CO -0.26 0.10 0.64 0.44 0.02 0.00 0.00 177.57 178.50 3a1i h ASP 296 N -0.33 1.06 -0.52 0.57 3.32 -1.24 -2.10 116.42 117.19 3a1i h ASP 296 Ca -0.02 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3a1i h ASP 296 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3a1i h ASP 296 CO 0.02 0.72 -0.16 0.44 -1.72 0.00 0.00 179.24 178.55 3a1i h ASP 297 N 1.23 1.04 -0.36 6.45 3.32 -0.99 0.11 116.42 127.21 3a1i h ASP 297 Ca 0.39 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3a1i h ASP 297 Cb 0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3a1i h ASP 297 CO -0.13 1.17 0.24 0.00 -1.72 0.00 0.00 179.24 178.80 3a1i h ALA 298 N 0.90 0.46 -0.34 3.45 0.00 -0.92 0.24 119.26 123.05 3a1i h ALA 298 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3a1i h ALA 298 Cb 0.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a1i h ALA 298 CO 0.06 -0.08 -0.35 0.28 0.00 0.00 0.00 179.25 179.15 3a1i h VAL 299 N 0.49 1.28 -0.46 0.00 2.07 -1.29 -0.67 116.25 117.67 3a1i h VAL 299 Ca 0.13 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3a1i h VAL 299 Cb -0.06 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3a1i h VAL 299 CO -0.03 0.50 0.24 -0.09 0.02 0.00 0.00 177.57 178.21 3a1i h ARG 300 N 0.65 0.65 -0.35 1.57 2.43 -0.31 0.54 114.38 119.57 3a1i h ARG 300 Ca 0.06 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3a1i h ARG 300 Cb 0.90 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3a1i h ARG 300 CO 0.08 0.54 0.10 0.00 -1.51 0.00 0.00 179.97 179.18 3a1i h ALA 301 N 1.08 0.45 -0.75 2.80 0.00 -0.40 -2.44 119.26 120.01 3a1i h ALA 301 Ca 0.16 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3a1i h ALA 301 Cb 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3a1i h ALA 301 CO -0.02 0.10 0.42 0.00 0.00 0.00 0.00 179.25 179.74 3a1i h ALA 302 N 0.94 1.03 -0.62 0.00 0.00 -0.70 -1.55 119.26 118.36 3a1i h ALA 302 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3a1i h ALA 302 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3a1i h ALA 302 CO -0.00 0.07 0.32 0.00 0.00 0.00 0.00 179.25 179.64 3a1i h ALA 303 N 1.41 0.80 -0.13 0.00 0.00 -0.62 -2.94 119.26 117.77 3a1i h ALA 303 Ca 0.35 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3a1i h ALA 303 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a1i h ALA 303 CO -0.22 0.34 -0.36 0.45 0.00 0.00 0.00 179.25 179.45 3a1i h HIS 304 N 0.85 0.32 0.00 0.00 3.86 -0.92 -2.97 115.15 116.28 3a1i h HIS 304 Ca 0.22 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3a1i h HIS 304 Cb 0.08 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3a1i h HIS 304 CO -0.00 0.61 0.12 0.66 0.86 0.00 0.00 177.93 180.17 3a1i h SER 305 N 0.24 0.00 0.19 2.45 4.64 -1.11 -1.41 113.55 118.55 3a1i h SER 305 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3a1i h SER 305 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3a1i h SER 305 CO 0.06 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 3a1i n LEU 306 N -2.89 0.14 0.20 5.97 4.77 -1.12 -0.38 117.00 123.70 3a1i n LEU 306 Ca -0.02 0.56 0.07 0.00 -0.03 0.00 0.00 56.01 56.58 3a1i n LEU 306 Cb 0.17 -0.56 0.41 0.00 -2.33 0.00 0.00 43.42 41.11 3a1i n LEU 306 CO 0.16 -0.51 0.74 0.71 -1.33 0.00 0.00 177.39 177.16 3a1i h THR 307 N 0.00 0.81 0.00 -5.08 1.35 -1.37 -2.31 112.91 106.31 3a1i h THR 307 Ca 0.00 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3a1i h THR 307 Cb 0.10 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3a1i h THR 307 CO 0.00 0.31 0.00 -0.62 -0.25 0.00 0.00 175.52 174.96 3a1i n GLU 308 N -3.57 0.14 -0.54 4.72 1.02 0.49 -1.50 120.64 121.41 3a1i n GLU 308 Ca -0.00 0.62 0.07 0.00 -0.02 0.00 0.00 57.16 57.82 3a1i n GLU 308 Cb 0.45 -1.95 0.18 0.00 -0.02 0.00 0.00 31.44 30.10 3a1i n GLU 308 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3a1i n ILE 309 N -2.25 1.97 -0.56 -3.67 -5.35 -0.91 -4.98 119.36 103.61 3a1i n ILE 309 Ca -0.01 -2.85 0.00 0.00 -0.27 0.00 0.00 62.75 59.62 3a1i n ILE 309 Cb 0.05 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 3a1i n ILE 309 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1i n GLY 310 N -1.07 0.74 3.81 3.28 0.00 -0.56 -3.96 105.19 107.43 3a1i n GLY 310 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3a1i n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1i s THR 312 N -1.35 5.21 -0.19 0.00 -4.23 -0.76 -3.91 115.64 110.41 3a1i s THR 312 Ca 0.38 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3a1i s THR 312 Cb -0.18 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 69.97 3a1i s THR 312 CO 0.21 0.24 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.69 3a1i s VAL 313 N 1.49 2.52 0.04 2.29 1.01 -1.26 -1.13 120.40 125.36 3a1i s VAL 313 Ca 0.16 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3a1i s VAL 313 Cb -0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3a1i s VAL 313 CO 0.08 0.50 -0.05 -1.61 0.00 0.00 0.00 175.10 174.02 3a1i s GLU 314 N 1.28 0.48 0.43 2.72 2.02 -0.95 -5.02 118.70 119.67 3a1i s GLU 314 Ca 0.04 -0.82 -0.15 0.00 0.02 0.00 0.00 54.97 54.06 3a1i s GLU 314 Cb -0.14 -0.06 -0.08 0.00 0.10 0.00 0.00 34.13 33.95 3a1i s GLU 314 CO -0.08 -0.02 0.87 -1.21 0.02 0.00 0.00 175.26 174.84 3a1i s GLU 315 N -2.06 3.96 -0.03 1.61 2.02 -1.26 -1.01 118.70 121.93 3a1i s GLU 315 Ca -0.08 0.79 -0.09 0.00 0.02 0.00 0.00 54.97 55.61 3a1i s GLU 315 Cb -0.06 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.91 3a1i s GLU 315 CO -0.02 -0.08 0.20 0.54 0.02 0.00 0.00 175.26 175.92 3a1i s VAL 316 N -2.36 0.05 -0.17 2.63 0.11 -0.08 -4.81 120.40 115.78 3a1i s VAL 316 Ca 0.56 -0.42 -0.13 0.00 -2.93 0.00 0.00 61.98 59.07 3a1i s VAL 316 Cb -0.10 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 3a1i s VAL 316 CO 0.25 -0.23 0.25 0.20 -3.33 0.00 0.00 175.10 172.25 3a1i s ASN 317 N -0.87 6.38 -0.47 3.54 0.01 -1.26 -1.90 114.94 120.37 3a1i s ASN 317 Ca -0.10 0.44 0.04 0.00 -0.71 0.00 0.00 52.86 52.53 3a1i s ASN 317 Cb -0.05 -2.16 0.17 0.00 0.41 0.00 0.00 41.25 39.62 3a1i s ASN 317 CO 0.02 0.12 0.36 -0.63 -1.51 0.00 0.00 177.10 175.45 3a1i s ILE 318 N 0.44 0.88 0.43 0.60 1.01 -1.26 -4.98 121.20 118.31 3a1i s ILE 318 Ca 0.14 -2.91 0.15 0.00 0.00 0.00 0.00 60.65 58.04 3a1i s ILE 318 Cb -0.12 -1.60 0.35 0.00 0.01 0.00 0.00 42.46 41.10 3a1i s ILE 318 CO 0.02 -1.16 1.92 -0.65 0.00 0.00 0.00 174.94 175.07 3a1i h PRO 319 N 5.73 0.41 0.00 2.79 0.11 -1.97 -0.13 132.00 138.93 3a1i h PRO 319 Ca 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3a1i h PRO 319 Cb 0.88 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3a1i h PRO 319 CO 0.44 0.27 0.00 0.91 -0.21 0.00 0.00 178.00 179.41 3a1i n TRP 320 N -4.48 0.00 -0.11 0.65 7.02 -1.26 -2.09 117.44 117.17 3a1i n TRP 320 Ca 0.14 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.56 3a1i n TRP 320 Cb 0.52 -0.28 0.12 0.00 -2.42 0.00 0.00 31.31 29.25 3a1i n TRP 320 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3a1i h HIS 321 N 0.00 0.89 0.01 -5.99 2.76 -1.41 0.11 115.15 111.52 3a1i h HIS 321 Ca 0.00 -0.16 -0.22 0.00 -2.20 0.00 0.00 60.37 57.79 3a1i h HIS 321 Cb 0.09 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 3a1i h HIS 321 CO 0.00 0.86 -0.94 -0.07 -1.30 0.00 0.00 177.93 176.48 3a1i h LEU 322 N 0.73 0.46 -0.53 0.26 3.38 -1.62 -3.23 115.31 114.76 3a1i h LEU 322 Ca 0.12 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3a1i h LEU 322 Cb 0.58 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3a1i h LEU 322 CO 0.04 1.18 0.06 0.45 0.09 0.00 0.00 178.44 180.25 3a1i h HIS 323 N 0.19 0.97 -0.81 1.13 3.86 -1.52 -2.93 115.15 116.03 3a1i h HIS 323 Ca -0.07 -0.15 0.16 0.00 -1.16 0.00 0.00 60.37 59.15 3a1i h HIS 323 Cb 1.58 -0.26 -0.06 0.00 1.06 0.00 0.00 27.41 29.74 3a1i h HIS 323 CO 0.05 0.87 0.54 0.00 0.86 0.00 0.00 177.93 180.25 3a1i h ALA 324 N 0.97 2.10 -0.31 2.45 0.00 -0.81 -1.07 119.26 122.59 3a1i h ALA 324 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3a1i h ALA 324 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a1i h ALA 324 CO 0.02 -0.33 0.19 0.35 0.00 0.00 0.00 179.25 179.48 3a1i h PHE 325 N 0.45 0.36 -0.18 0.00 3.57 -1.56 -0.02 116.94 119.57 3a1i h PHE 325 Ca 0.41 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 3a1i h PHE 325 Cb 0.91 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3a1i h PHE 325 CO -0.00 0.22 -0.34 0.45 -2.23 0.00 0.00 178.31 176.41 3a1i h HIS 326 N 0.39 0.42 -0.47 0.41 3.86 -1.31 -0.56 115.15 117.90 3a1i h HIS 326 Ca 0.12 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 3a1i h HIS 326 Cb -0.03 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3a1i h HIS 326 CO -0.06 0.66 -0.05 0.82 0.86 0.00 0.00 177.93 180.16 3a1i h ILE 327 N 0.31 1.27 -0.02 2.45 2.04 -1.06 -2.29 117.51 120.21 3a1i h ILE 327 Ca 0.04 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3a1i h ILE 327 Cb 0.75 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3a1i h ILE 327 CO 0.06 0.39 0.01 -0.25 0.00 0.00 0.00 178.15 178.37 3a1i h TRP 328 N 0.70 0.03 -0.94 1.37 7.01 -0.69 -2.36 115.95 121.07 3a1i h TRP 328 Ca 0.13 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.27 3a1i h TRP 328 Cb 0.58 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.54 3a1i h TRP 328 CO 0.04 0.07 0.56 -0.97 -2.79 0.00 0.00 178.44 175.35 3a1i h ASN 329 N -0.02 0.76 -0.07 2.65 -0.00 -0.90 0.39 115.58 118.39 3a1i h ASN 329 Ca 0.01 0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.36 3a1i h ASN 329 Cb 0.05 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 38.30 3a1i h ASN 329 CO -0.00 0.36 -0.04 0.58 -0.00 0.00 0.00 177.43 178.33 3a1i h VAL 330 N 0.82 1.33 -0.74 2.57 2.07 -1.23 0.23 116.25 121.31 3a1i h VAL 330 Ca 0.50 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3a1i h VAL 330 Cb 0.62 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 3a1i h VAL 330 CO -0.32 0.30 0.47 0.40 0.02 0.00 0.00 177.57 178.44 3a1i h ILE 331 N -0.24 1.13 -0.09 4.57 2.04 -0.78 0.64 117.51 124.78 3a1i h ILE 331 Ca 0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 3a1i h ILE 331 Cb 0.49 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3a1i h ILE 331 CO 0.01 0.17 -0.54 0.00 0.00 0.00 0.00 178.15 177.79 3a1i h ALA 332 N 1.30 0.92 0.00 1.87 0.00 -0.21 -0.15 119.26 122.99 3a1i h ALA 332 Ca 0.29 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a1i h ALA 332 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a1i h ALA 332 CO -0.10 0.68 -0.04 1.15 0.00 0.00 0.00 179.25 180.95 3a1i h THR 333 N 0.20 0.61 -0.04 0.00 2.02 -0.47 -0.82 112.91 114.41 3a1i h THR 333 Ca 0.00 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 3a1i h THR 333 Cb 1.01 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3a1i h THR 333 CO 0.08 0.21 0.00 0.44 0.37 0.00 0.00 175.52 176.62 3a1i h ASP 334 N -1.00 0.07 -0.65 4.18 5.19 -1.02 -2.67 116.42 120.52 3a1i h ASP 334 Ca -0.01 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 3a1i h ASP 334 Cb 0.37 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 3a1i h ASP 334 CO -0.00 0.34 0.32 1.23 -3.12 0.00 0.00 179.24 178.01 3a1i h GLY 335 N -0.20 1.00 0.97 2.75 0.00 -1.12 -1.71 103.07 104.76 3a1i h GLY 335 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3a1i h GLY 335 CO 0.00 0.47 0.19 -1.33 0.00 0.00 0.00 176.54 175.87 3a1i h GLY 336 N 0.90 0.78 1.05 4.60 0.00 -1.16 0.82 103.07 110.07 3a1i h GLY 336 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3a1i h GLY 336 CO -0.03 0.41 -0.16 0.00 0.00 0.00 0.00 176.54 176.76 3a1i h ALA 337 N 1.03 0.63 -0.14 3.60 0.00 -1.40 0.16 119.26 123.14 3a1i h ALA 337 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3a1i h ALA 337 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3a1i h ALA 337 CO -0.01 0.57 0.03 -0.92 0.00 0.00 0.00 179.25 178.92 3a1i h TYR 338 N 0.75 0.24 0.00 0.00 3.20 -1.16 -1.13 116.97 118.87 3a1i h TYR 338 Ca 0.11 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3a1i h TYR 338 Cb 0.72 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3a1i h TYR 338 CO 0.05 0.38 -0.24 0.37 -1.64 0.00 0.00 178.16 177.08 3a1i h GLN 339 N 0.02 0.00 -0.92 1.82 4.15 -0.84 -1.60 115.11 117.74 3a1i h GLN 339 Ca 0.04 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.58 3a1i h GLN 339 Cb 0.27 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.87 3a1i h GLN 339 CO 0.00 0.00 0.55 1.98 -1.93 0.00 0.00 178.83 179.43 3a1i h MET 340 N -0.52 0.84 0.00 1.69 4.05 -0.85 -0.28 114.93 119.86 3a1i h MET 340 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3a1i h MET 340 Cb 0.24 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3a1i h MET 340 CO 0.00 0.56 0.00 1.28 0.23 0.00 0.00 176.91 178.98 3a1i n LEU 341 N -4.70 0.20 0.22 3.39 4.77 -1.08 -1.10 117.00 118.70 3a1i n LEU 341 Ca 0.17 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 3a1i n LEU 341 Cb 0.34 -0.41 0.66 0.00 -2.33 0.00 0.00 43.42 41.69 3a1i n LEU 341 CO 0.26 -0.41 1.09 0.44 -1.33 0.00 0.00 177.39 177.45 3a1i h ASP 342 N 0.00 0.00 -0.28 -1.43 3.32 -1.25 -0.46 116.42 116.32 3a1i h ASP 342 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a1i h ASP 342 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a1i h ASP 342 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3a1i n GLY 343 N -1.55 1.00 3.75 2.75 0.00 -0.16 -4.97 105.19 106.02 3a1i n GLY 343 Ca -0.01 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 3a1i n GLY 343 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a1i n ASN 344 N 0.91 -4.22 0.00 1.61 4.13 -0.18 -0.75 115.26 116.76 3a1i n ASN 344 Ca 0.17 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.41 3a1i n ASN 344 Cb 0.47 -3.24 0.00 0.00 -1.54 0.00 0.00 39.78 35.47 3a1i n ASN 344 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a1i n GLY 345 N -1.76 2.26 0.18 7.41 0.00 -0.26 -4.41 105.19 108.61 3a1i n GLY 345 Ca -0.14 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3a1i n GLY 345 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3a1i h TYR 346 N 0.00 0.00 -0.06 1.61 -1.99 -1.81 -3.39 116.97 111.33 3a1i h TYR 346 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3a1i h TYR 346 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3a1i h TYR 346 CO 0.00 0.42 0.00 0.41 -0.00 0.00 0.00 178.16 178.99 3a1i n GLY 347 N 0.22 0.86 1.20 3.88 0.00 0.07 -4.94 105.19 106.48 3a1i n GLY 347 Ca -0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 3a1i n GLY 347 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a1i n MET 348 N 0.00 0.25 -3.02 1.61 0.00 -1.26 -4.97 117.12 109.72 3a1i n MET 348 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 57.70 56.52 3a1i n MET 348 Cb 0.00 0.96 0.04 0.00 0.00 0.00 0.00 33.22 34.22 3a1i n MET 348 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3a1i n ASN 349 N -1.95 -5.32 -3.72 7.83 3.02 -1.26 -5.02 115.26 108.84 3a1i n ASN 349 Ca 0.00 -0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 54.14 3a1i n ASN 349 Cb 0.21 -4.09 -0.10 0.00 -0.61 0.00 0.00 39.78 35.19 3a1i n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a1i s ALA 350 N -3.11 -0.99 0.61 5.41 0.00 -1.26 -5.15 121.76 117.26 3a1i s ALA 350 Ca 0.31 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 3a1i s ALA 350 Cb -0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3a1i s ALA 350 CO 0.39 -0.22 1.10 -2.00 0.00 0.00 0.00 175.76 175.03 3a1i s GLU 351 N 0.68 3.08 0.00 0.00 2.56 -1.26 -4.96 118.70 118.79 3a1i s GLU 351 Ca -0.04 1.40 0.00 0.00 0.00 0.00 0.00 54.97 56.33 3a1i s GLU 351 Cb -0.05 -1.99 0.00 0.00 2.00 0.00 0.00 34.13 34.09 3a1i s GLU 351 CO -0.05 -1.03 0.00 0.41 -0.56 0.00 0.00 175.26 174.04 3a1i n GLY 352 N -0.46 0.97 3.61 -1.50 0.00 -1.26 -3.87 105.19 102.68 3a1i n GLY 352 Ca 0.10 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3a1i n GLY 352 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a1i s LEU 353 N 0.00 4.12 0.36 0.99 0.20 -0.82 -5.04 118.68 118.49 3a1i s LEU 353 Ca 0.00 0.52 0.07 0.00 0.69 0.00 0.00 54.13 55.41 3a1i s LEU 353 Cb 0.00 -2.83 -0.01 0.00 -0.43 0.00 0.00 46.19 42.92 3a1i s LEU 353 CO 0.00 -0.45 0.44 -0.31 -0.29 0.00 0.00 176.35 175.74 3a1i s TYR 354 N 2.58 2.94 -0.63 5.38 4.12 -1.26 -4.87 117.35 125.61 3a1i s TYR 354 Ca 0.26 -0.32 0.06 0.00 0.02 0.00 0.00 57.07 57.09 3a1i s TYR 354 Cb -0.15 -2.06 0.21 0.00 -1.52 0.00 0.00 41.96 38.44 3a1i s TYR 354 CO 0.11 -0.07 0.60 -3.47 0.02 0.00 0.00 175.55 172.74 3a1i n ASP 355 N -1.61 2.89 0.02 2.29 -0.08 -1.26 -4.95 116.55 113.86 3a1i n ASP 355 Ca 0.02 -3.22 0.17 0.00 -1.51 0.00 0.00 54.79 50.25 3a1i n ASP 355 Cb 0.59 -0.70 0.66 0.00 2.34 0.00 0.00 41.12 44.01 3a1i n ASP 355 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3a1i h PRO 356 N 4.75 0.06 -0.25 -0.67 0.13 -1.98 -0.01 132.00 134.02 3a1i h PRO 356 Ca 0.17 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 3a1i h PRO 356 Cb 0.73 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3a1i h PRO 356 CO 0.73 0.04 0.02 0.93 -0.23 0.00 0.00 178.00 179.49 3a1i h GLU 357 N 0.06 0.42 -0.60 0.86 3.07 -2.00 -1.36 114.58 115.03 3a1i h GLU 357 Ca 0.22 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.87 3a1i h GLU 357 Cb 0.81 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 3a1i h GLU 357 CO -0.02 0.57 0.04 1.25 -1.40 0.00 0.00 179.01 179.45 3a1i h LEU 358 N 0.22 1.02 -0.61 1.33 5.85 -1.62 -1.85 115.31 119.64 3a1i h LEU 358 Ca 0.07 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3a1i h LEU 358 Cb 0.36 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3a1i h LEU 358 CO 0.01 1.06 0.41 0.24 -0.34 0.00 0.00 178.44 179.81 3a1i h MET 359 N 0.94 0.81 -0.06 1.25 2.86 -0.90 0.17 114.93 120.01 3a1i h MET 359 Ca 0.18 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3a1i h MET 359 Cb 0.51 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3a1i h MET 359 CO 0.02 0.54 0.02 0.00 1.06 0.00 0.00 176.91 178.55 3a1i h ALA 360 N 1.22 0.08 -0.01 6.32 0.00 -1.08 -0.48 119.26 125.31 3a1i h ALA 360 Ca 0.22 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3a1i h ALA 360 Cb -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3a1i h ALA 360 CO -0.05 -0.32 -0.12 1.25 0.00 0.00 0.00 179.25 180.01 3a1i h HIS 361 N -0.08 -0.30 -0.66 0.00 6.17 -1.12 -2.40 115.15 116.76 3a1i h HIS 361 Ca 0.02 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 3a1i h HIS 361 Cb 0.19 0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 3a1i h HIS 361 CO -0.01 -0.18 0.43 0.35 0.71 0.00 0.00 177.93 179.22 3a1i h PHE 362 N -0.20 0.85 -0.36 5.26 -0.00 -0.93 -2.03 116.94 119.53 3a1i h PHE 362 Ca 0.05 0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.10 3a1i h PHE 362 Cb 0.26 -0.28 -0.06 0.00 -0.00 0.00 0.00 35.95 35.86 3a1i h PHE 362 CO -0.18 0.55 -0.05 0.00 -0.00 0.00 0.00 178.31 178.63 3a1i h ALA 363 N 1.23 0.28 -0.08 2.41 0.00 -0.68 -0.71 119.26 121.71 3a1i h ALA 363 Ca 0.24 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3a1i h ALA 363 Cb -0.08 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a1i h ALA 363 CO -0.05 -0.43 -0.14 0.66 0.00 0.00 0.00 179.25 179.29 3a1i h SER 364 N 0.04 0.26 -0.62 0.00 4.64 -1.30 -3.31 113.55 113.26 3a1i h SER 364 Ca 0.18 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3a1i h SER 364 Cb 0.26 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3a1i h SER 364 CO -0.34 0.76 0.37 0.03 -0.87 0.00 0.00 176.83 176.78 3a1i h ARG 365 N -0.22 0.85 0.00 4.77 -0.00 -1.23 -3.03 114.38 115.52 3a1i h ARG 365 Ca 0.01 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.39 3a1i h ARG 365 Cb 0.71 -0.18 -0.00 0.00 0.00 0.00 0.00 29.97 30.50 3a1i h ARG 365 CO 0.03 0.62 -0.07 0.07 0.00 0.00 0.00 179.97 180.63 3a1i h ARG 366 N 0.85 0.00 0.00 0.04 0.11 -1.21 -0.71 114.38 113.46 3a1i h ARG 366 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 3a1i h ARG 366 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3a1i h ARG 366 CO -0.04 0.07 -0.75 -0.84 0.10 0.00 0.00 179.97 178.50 3a1i h ILE 367 N 0.00 0.00 0.00 0.08 3.07 -1.62 -1.89 117.51 117.15 3a1i h ILE 367 Ca -0.00 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.51 3a1i h ILE 367 Cb 0.39 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3a1i h ILE 367 CO 0.01 0.00 -0.94 0.00 -1.05 0.00 0.00 178.15 176.17 3a1i n GLN 368 N -2.64 0.10 -0.52 0.16 1.13 -0.87 -4.36 117.38 110.38 3a1i n GLN 368 Ca 0.01 -0.01 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 3a1i n GLN 368 Cb 0.52 -1.52 0.05 0.00 0.11 0.00 0.00 30.24 29.40 3a1i n GLN 368 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3a1i n HIS 369 N -1.64 0.00 -0.32 1.08 8.25 -0.33 -4.86 115.22 117.41 3a1i n HIS 369 Ca 0.03 -0.36 0.09 0.00 -0.26 0.00 0.00 57.72 57.22 3a1i n HIS 369 Cb 0.37 -0.09 0.29 0.00 1.12 0.00 0.00 29.99 31.68 3a1i n HIS 369 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a1i h ALA 370 N 0.16 1.64 0.00 -1.41 0.00 -1.54 0.71 119.26 118.82 3a1i h ALA 370 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a1i h ALA 370 Cb 1.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a1i h ALA 370 CO 0.01 0.13 -0.01 -0.44 0.00 0.00 0.00 179.25 178.94 3a1i h ASP 371 N 0.88 0.00 1.21 0.00 3.32 -1.89 -0.50 116.42 119.44 3a1i h ASP 371 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3a1i h ASP 371 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3a1i h ASP 371 CO -0.23 0.01 -0.26 0.00 -1.72 0.00 0.00 179.24 177.04 3a1i n ALA 372 N -2.14 2.56 -1.69 3.45 0.00 0.24 -4.89 120.51 118.03 3a1i n ALA 372 Ca -0.03 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 3a1i n ALA 372 Cb 0.11 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.24 3a1i n ALA 372 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a1i n LEU 373 N -2.17 4.17 -4.67 0.00 4.77 -0.20 -4.84 117.00 114.06 3a1i n LEU 373 Ca 0.05 1.01 -0.33 0.00 -0.03 0.00 0.00 56.01 56.71 3a1i n LEU 373 Cb 0.43 -1.48 0.13 0.00 -2.33 0.00 0.00 43.42 40.17 3a1i n LEU 373 CO 0.33 -0.94 0.68 -1.54 -1.33 0.00 0.00 177.39 174.59 3a1i n SER 374 N -0.22 0.69 0.23 -1.43 3.41 -1.26 -4.77 113.62 110.27 3a1i n SER 374 Ca 0.09 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 3a1i n SER 374 Cb 0.42 -1.48 0.55 0.00 -0.26 0.00 0.00 64.21 63.45 3a1i n SER 374 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3a1i h GLU 375 N -1.04 0.00 -0.22 4.33 4.39 -1.96 -1.49 114.58 118.58 3a1i h GLU 375 Ca -0.46 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.06 3a1i h GLU 375 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3a1i h GLU 375 CO 0.45 0.15 -0.61 1.79 -1.16 0.00 0.00 179.01 179.62 3a1i h THR 376 N 0.00 1.30 -0.56 1.13 1.35 -1.90 -1.60 112.91 112.62 3a1i h THR 376 Ca -0.00 -1.84 -0.11 0.00 -0.55 0.00 0.00 66.41 63.92 3a1i h THR 376 Cb 0.28 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 3a1i h THR 376 CO 0.02 0.58 -0.06 0.58 -0.25 0.00 0.00 175.52 176.39 3a1i h VAL 377 N 0.55 1.27 -0.65 6.82 2.07 -1.65 -1.59 116.25 123.07 3a1i h VAL 377 Ca -0.01 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3a1i h VAL 377 Cb 1.21 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3a1i h VAL 377 CO 0.13 0.43 0.24 0.11 0.02 0.00 0.00 177.57 178.50 3a1i h LYS 378 N 0.92 0.96 -0.20 1.57 1.57 -1.19 0.15 116.57 120.35 3a1i h LYS 378 Ca 0.15 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3a1i h LYS 378 Cb 0.62 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3a1i h LYS 378 CO 0.04 0.80 0.08 1.25 -0.57 0.00 0.00 179.45 181.05 3a1i h LEU 379 N 0.94 0.27 -0.56 2.94 5.85 -0.94 -0.06 115.31 123.75 3a1i h LEU 379 Ca 0.22 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3a1i h LEU 379 Cb 0.21 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3a1i h LEU 379 CO -0.02 0.36 0.30 0.58 -0.34 0.00 0.00 178.44 179.32 3a1i h VAL 380 N 0.16 0.97 0.31 1.05 2.07 -0.67 -1.69 116.25 118.46 3a1i h VAL 380 Ca 0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3a1i h VAL 380 Cb 0.17 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3a1i h VAL 380 CO -0.01 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.48 3a1i h ALA 381 N 1.29 -0.50 0.20 1.67 0.00 -0.33 0.13 119.26 121.73 3a1i h ALA 381 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a1i h ALA 381 Cb 0.13 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3a1i h ALA 381 CO -0.16 -0.80 -0.10 -0.07 0.00 0.00 0.00 179.25 178.13 3a1i h LEU 382 N -0.52 -0.23 -0.58 0.00 3.38 -0.84 -1.43 115.31 115.10 3a1i h LEU 382 Ca -0.03 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 3a1i h LEU 382 Cb 0.44 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3a1i h LEU 382 CO 0.01 0.00 -0.59 0.00 0.09 0.00 0.00 178.44 177.95 3a1i h THR 383 N -0.47 1.36 -0.45 0.22 1.03 -1.36 -2.79 112.91 110.45 3a1i h THR 383 Ca -0.03 -1.92 -0.11 0.00 -0.01 0.00 0.00 66.41 64.35 3a1i h THR 383 Cb 0.36 1.92 -0.02 0.00 -1.07 0.00 0.00 68.15 69.34 3a1i h THR 383 CO 0.05 0.58 -0.16 1.23 -0.01 0.00 0.00 175.52 177.20 3a1i h GLY 384 N 1.28 0.94 1.55 2.99 0.00 -0.75 -0.75 103.07 108.33 3a1i h GLY 384 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 3a1i h GLY 384 CO 0.10 0.70 0.17 0.84 0.00 0.00 0.00 176.54 178.36 3a1i h HIS 385 N 0.77 0.58 -0.43 5.60 6.17 -1.18 0.24 115.15 126.89 3a1i h HIS 385 Ca 0.12 -0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.05 3a1i h HIS 385 Cb 0.69 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.42 3a1i h HIS 385 CO 0.04 0.45 -0.25 1.25 0.71 0.00 0.00 177.93 180.13 3a1i h HIS 386 N 0.59 1.03 -0.45 5.26 6.17 -1.15 -1.11 115.15 125.49 3a1i h HIS 386 Ca 0.15 -0.26 -0.13 0.00 0.71 0.00 0.00 60.37 60.84 3a1i h HIS 386 Cb 0.11 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.79 3a1i h HIS 386 CO 0.01 1.04 -0.24 0.78 0.71 0.00 0.00 177.93 180.23 3a1i h GLY 387 N 0.90 1.04 0.83 5.26 0.00 0.32 -0.95 103.07 110.47 3a1i h GLY 387 Ca 0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 3a1i h GLY 387 CO 0.07 0.86 -0.10 -2.22 0.00 0.00 0.00 176.54 175.15 3a1i h ILE 388 N 0.79 1.30 0.00 2.60 2.04 -0.49 0.11 117.51 123.86 3a1i h ILE 388 Ca 0.10 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3a1i h ILE 388 Cb 0.82 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3a1i h ILE 388 CO 0.07 0.36 0.00 0.35 0.00 0.00 0.00 178.15 178.93 3a1i n THR 389 N -4.53 0.00 -0.26 -0.27 -2.24 -0.43 -3.47 114.28 103.08 3a1i n THR 389 Ca -0.04 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3a1i n THR 389 Cb 0.33 -0.37 0.19 0.00 -2.10 0.00 0.00 70.33 68.38 3a1i n THR 389 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3a1i h THR 390 N 0.00 0.61 0.00 4.28 2.02 -1.68 0.51 112.91 118.65 3a1i h THR 390 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3a1i h THR 390 Cb 0.00 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3a1i h THR 390 CO 0.00 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.14 3a1i n LEU 391 N -5.04 0.07 -0.94 2.58 4.32 -0.39 -4.92 117.00 112.69 3a1i n LEU 391 Ca 0.15 0.51 -0.12 0.00 -0.02 0.00 0.00 56.01 56.52 3a1i n LEU 391 Cb 0.44 -0.49 -0.05 0.00 -1.62 0.00 0.00 43.42 41.70 3a1i n LEU 391 CO 0.17 -0.05 -0.12 0.61 -1.22 0.00 0.00 177.39 176.78 3a1i n GLY 392 N 1.30 1.28 3.14 -0.72 0.00 0.17 -2.43 105.19 107.93 3a1i n GLY 392 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3a1i n GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1i n GLY 393 N -0.91 0.72 0.36 -0.02 0.00 0.35 -4.90 105.19 100.78 3a1i n GLY 393 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3a1i n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1i h ALA 394 N 0.00 1.38 -0.73 4.61 0.00 -1.70 -1.41 119.26 121.40 3a1i h ALA 394 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3a1i h ALA 394 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3a1i h ALA 394 CO 0.00 0.37 0.23 0.77 0.00 0.00 0.00 179.25 180.62 3a1i h SER 395 N 1.11 1.07 -0.34 0.00 0.02 -1.88 0.16 113.55 113.69 3a1i h SER 395 Ca 0.44 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3a1i h SER 395 Cb 0.23 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3a1i h SER 395 CO -0.19 1.00 0.19 0.22 -1.14 0.00 0.00 176.83 176.90 3a1i h TYR 396 N 1.09 0.46 -0.57 3.45 5.03 -1.72 0.58 116.97 125.29 3a1i h TYR 396 Ca 0.24 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.55 3a1i h TYR 396 Cb 0.31 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 3a1i h TYR 396 CO 0.03 0.36 0.37 0.78 -1.32 0.00 0.00 178.16 178.38 3a1i h GLY 397 N 0.43 0.81 0.97 1.82 0.00 -0.76 0.07 103.07 106.40 3a1i h GLY 397 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3a1i h GLY 397 CO -0.02 0.26 0.23 0.50 0.00 0.00 0.00 176.54 177.51 3a1i h LYS 398 N 0.74 0.68 -0.68 4.80 1.57 -0.38 -1.19 116.57 122.11 3a1i h LYS 398 Ca 0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3a1i h LYS 398 Cb -0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3a1i h LYS 398 CO -0.07 0.57 0.43 0.00 -0.57 0.00 0.00 179.45 179.81 3a1i h ALA 399 N 1.07 0.86 -0.93 3.86 0.00 -0.46 -2.11 119.26 121.56 3a1i h ALA 399 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a1i h ALA 399 Cb 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3a1i h ALA 399 CO -0.02 0.32 0.57 0.00 0.00 0.00 0.00 179.25 180.12 3a1i h ARG 400 N 0.92 1.25 0.00 0.00 2.47 -0.61 -1.41 114.38 117.00 3a1i h ARG 400 Ca 0.25 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3a1i h ARG 400 Cb -0.06 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 27.99 3a1i h ARG 400 CO -0.05 0.87 0.00 0.09 0.56 0.00 0.00 179.97 181.44 3a1i n ASN 401 N -4.36 0.14 0.01 7.04 5.03 -0.48 -2.44 115.26 120.19 3a1i n ASN 401 Ca 0.10 0.53 0.11 0.00 0.87 0.00 0.00 54.58 56.20 3a1i n ASN 401 Cb 0.05 -0.56 -0.15 0.00 -1.02 0.00 0.00 39.78 38.10 3a1i n ASN 401 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a1i n LEU 402 N -1.65 0.12 -0.19 3.41 4.77 -0.58 -4.53 117.00 118.35 3a1i n LEU 402 Ca 0.04 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3a1i n LEU 402 Cb 0.20 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.37 3a1i n LEU 402 CO 0.16 -0.02 0.85 0.58 -1.33 0.00 0.00 177.39 177.63 3a1i h VAL 403 N 0.00 0.56 -0.90 4.08 2.07 -1.08 -1.33 116.25 119.65 3a1i h VAL 403 Ca -0.00 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3a1i h VAL 403 Cb 1.01 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3a1i h VAL 403 CO 0.00 0.03 0.53 -0.65 0.02 0.00 0.00 177.57 177.50 3a1i h PRO 404 N 0.14 0.85 -0.83 1.57 0.11 -1.80 0.14 132.00 132.19 3a1i h PRO 404 Ca 0.30 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 3a1i h PRO 404 Cb 0.46 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 3a1i h PRO 404 CO -0.47 0.56 0.37 -0.07 -0.21 0.00 0.00 178.00 178.18 3a1i h LEU 405 N 0.88 1.11 -0.40 2.35 3.38 -1.55 0.26 115.31 121.34 3a1i h LEU 405 Ca 0.43 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3a1i h LEU 405 Cb 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3a1i h LEU 405 CO -0.25 0.95 0.10 0.00 0.09 0.00 0.00 178.44 179.33 3a1i h ALA 406 N 1.21 0.53 -0.13 1.53 0.00 -0.45 -0.50 119.26 121.45 3a1i h ALA 406 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a1i h ALA 406 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3a1i h ALA 406 CO -0.03 0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.50 3a1i h ARG 407 N 0.50 0.17 -0.34 0.00 3.08 -0.31 -2.38 114.38 115.11 3a1i h ARG 407 Ca 0.13 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3a1i h ARG 407 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3a1i h ARG 407 CO 0.00 0.14 0.22 0.00 -1.07 0.00 0.00 179.97 179.26 3a1i h ALA 408 N 1.02 1.77 -0.57 0.04 0.00 -0.32 0.15 119.26 121.36 3a1i h ALA 408 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3a1i h ALA 408 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3a1i h ALA 408 CO -0.01 0.21 0.19 0.00 0.00 0.00 0.00 179.25 179.64 3a1i h ALA 409 N 1.79 0.74 -0.16 0.00 0.00 -0.58 0.51 119.26 121.56 3a1i h ALA 409 Ca 0.12 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3a1i h ALA 409 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3a1i h ALA 409 CO -0.03 0.39 -0.47 1.88 0.00 0.00 0.00 179.25 181.02 3a1i h TYR 410 N 0.79 0.79 -0.26 0.00 0.05 -1.10 -2.98 116.97 114.26 3a1i h TYR 410 Ca 0.19 -0.31 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 3a1i h TYR 410 Cb 0.25 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3a1i h TYR 410 CO 0.01 1.09 0.06 -0.44 -1.05 0.00 0.00 178.16 177.84 3a1i h ASP 411 N 0.27 0.34 -0.31 3.88 3.32 -0.79 0.91 116.42 124.05 3a1i h ASP 411 Ca -0.01 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3a1i h ASP 411 Cb 1.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3a1i h ASP 411 CO 0.10 0.35 0.08 0.74 -1.72 0.00 0.00 179.24 178.79 3a1i h THR 412 N 0.37 1.21 -0.73 0.35 2.02 -0.87 -1.93 112.91 113.33 3a1i h THR 412 Ca 0.09 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3a1i h THR 412 Cb 0.15 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3a1i h THR 412 CO -0.00 0.24 0.43 0.00 0.37 0.00 0.00 175.52 176.55 3a1i h ALA 413 N 0.91 1.38 0.00 6.16 0.00 -1.19 -1.00 119.26 125.51 3a1i h ALA 413 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a1i h ALA 413 Cb 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a1i h ALA 413 CO 0.00 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.06 3a1i n LEU 414 N -4.38 0.00 0.05 0.00 4.77 0.24 -1.08 117.00 116.59 3a1i n LEU 414 Ca 0.08 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.15 3a1i n LEU 414 Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3a1i n LEU 414 CO 0.37 0.00 -0.34 0.54 -1.33 0.00 0.00 177.39 176.63 3a1i n ARG 415 N -1.00 0.63 -0.02 3.23 1.74 -0.38 -4.12 116.66 116.74 3a1i n ARG 415 Ca 0.14 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.26 3a1i n ARG 415 Cb 0.06 -1.70 -0.14 0.00 -1.02 0.00 0.00 32.46 29.66 3a1i n ARG 415 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3a1i n GLN 416 N -2.56 0.66 -4.17 5.56 6.02 -0.39 -4.97 117.38 117.53 3a1i n GLN 416 Ca -0.04 -0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.75 3a1i n GLN 416 Cb 0.62 -1.59 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 3a1i n GLN 416 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3a1i s PHE 417 N -3.08 1.10 0.04 1.08 0.40 -0.24 -4.91 117.98 112.37 3a1i s PHE 417 Ca -0.07 -0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 55.53 3a1i s PHE 417 Cb 0.10 -0.61 -0.19 0.00 0.51 0.00 0.00 43.02 42.83 3a1i s PHE 417 CO 0.86 0.03 1.21 -0.44 0.70 0.00 0.00 175.22 177.58 3a1i h ASP 418 N 3.93 0.64 -5.15 1.36 3.32 -0.71 -3.39 116.42 116.41 3a1i h ASP 418 Ca -0.39 -0.66 -0.13 0.00 0.02 0.00 0.00 57.03 55.88 3a1i h ASP 418 Cb 1.19 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 3a1i h ASP 418 CO 0.47 1.20 -0.61 0.68 -1.72 0.00 0.00 179.24 179.25 3a1i s VAL 419 N -3.60 0.17 -0.10 -1.35 -7.23 -1.15 -4.54 120.40 102.61 3a1i s VAL 419 Ca -0.13 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3a1i s VAL 419 Cb 0.05 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 3a1i s VAL 419 CO 0.83 -0.79 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.98 3a1i s LEU 420 N -2.49 2.96 0.08 1.32 1.43 0.20 -1.15 118.68 121.03 3a1i s LEU 420 Ca 0.00 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 3a1i s LEU 420 Cb 0.03 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3a1i s LEU 420 CO -0.07 0.27 -0.18 0.68 0.23 0.00 0.00 176.35 177.27 3a1i s VAL 421 N -0.24 1.46 0.10 -1.59 -7.23 0.19 -0.21 120.40 112.88 3a1i s VAL 421 Ca 0.02 -1.41 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 3a1i s VAL 421 Cb -0.13 -1.35 0.08 0.00 0.56 0.00 0.00 36.38 35.55 3a1i s VAL 421 CO 0.03 -0.10 1.07 0.00 -0.31 0.00 0.00 175.10 175.79 3a1i s MET 422 N -1.76 0.94 0.34 4.82 0.23 -1.02 -2.14 119.30 120.71 3a1i s MET 422 Ca 0.03 -0.52 -0.28 0.00 -1.03 0.00 0.00 55.69 53.89 3a1i s MET 422 Cb -0.10 0.32 -0.10 0.00 -1.53 0.00 0.00 34.83 33.42 3a1i s MET 422 CO 0.03 -0.43 1.30 -2.14 -2.03 0.00 0.00 175.02 171.75 3a1i s PRO 423 N -2.98 4.33 0.06 3.16 0.02 -1.26 -0.72 135.00 137.60 3a1i s PRO 423 Ca 0.13 2.19 -0.21 0.00 0.02 0.00 0.00 61.00 63.13 3a1i s PRO 423 Cb 0.01 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.36 3a1i s PRO 423 CO 0.00 -0.20 1.51 1.15 -0.33 0.00 0.00 177.00 179.14 3a1i h THR 424 N 2.98 1.23 -4.06 0.99 2.02 -1.48 -3.44 112.91 111.16 3a1i h THR 424 Ca -0.49 -0.75 -0.41 0.00 0.77 0.00 0.00 66.41 65.53 3a1i h THR 424 Cb 1.23 1.47 -0.28 0.00 -1.74 0.00 0.00 68.15 68.83 3a1i h THR 424 CO 0.65 0.22 -0.78 -0.76 0.37 0.00 0.00 175.52 175.22 3a1i s LEU 425 N -9.59 2.06 0.00 2.58 1.43 -1.26 -4.44 118.68 109.47 3a1i s LEU 425 Ca -0.14 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3a1i s LEU 425 Cb 0.06 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.76 3a1i s LEU 425 CO 0.71 0.09 0.83 -0.81 0.23 0.00 0.00 176.35 177.39 3a1i n PRO 426 N 2.58 0.90 -3.55 1.29 -0.04 -1.26 -4.82 135.00 130.10 3a1i n PRO 426 Ca -0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 3a1i n PRO 426 Cb 0.56 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.91 3a1i n PRO 426 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a1i s TYR 427 N -1.84 -0.35 0.74 0.54 -0.85 -1.26 -0.27 117.35 114.06 3a1i s TYR 427 Ca 0.00 0.43 -0.11 0.00 -0.52 0.00 0.00 57.07 56.87 3a1i s TYR 427 Cb 0.00 0.49 0.03 0.00 0.38 0.00 0.00 41.96 42.86 3a1i s TYR 427 CO 0.00 -0.41 1.07 0.14 -1.52 0.00 0.00 175.55 174.83 3a1i s VAL 428 N -2.00 3.67 0.01 -3.49 -7.23 -1.26 -4.93 120.40 105.17 3a1i s VAL 428 Ca 0.02 0.54 -0.36 0.00 -1.81 0.00 0.00 61.98 60.37 3a1i s VAL 428 Cb -0.01 -3.21 -0.14 0.00 0.56 0.00 0.00 36.38 33.58 3a1i s VAL 428 CO -0.03 -0.71 1.62 0.00 -0.31 0.00 0.00 175.10 175.67 3a1i n ALA 429 N -3.30 0.42 -2.06 1.32 0.00 -1.26 -4.97 120.51 110.67 3a1i n ALA 429 Ca 0.08 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.73 3a1i n ALA 429 Cb 0.54 -2.30 0.03 0.00 0.00 0.00 0.00 19.45 17.72 3a1i n ALA 429 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3a1i s SER 430 N 1.99 5.45 0.51 0.00 1.04 -1.26 -4.76 113.70 116.67 3a1i s SER 430 Ca 0.87 -0.03 -0.21 0.00 0.48 0.00 0.00 55.95 57.05 3a1i s SER 430 Cb -0.81 -0.97 -0.06 0.00 0.10 0.00 0.00 66.02 64.28 3a1i s SER 430 CO 0.48 -0.99 1.20 -1.61 0.98 0.00 0.00 173.24 173.30 3a1i s GLU 431 N -4.65 3.46 0.32 4.02 2.02 -1.26 -1.01 118.70 121.60 3a1i s GLU 431 Ca 0.55 1.83 -0.29 0.00 0.02 0.00 0.00 54.97 57.08 3a1i s GLU 431 Cb -0.10 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.79 3a1i s GLU 431 CO 0.37 -0.82 1.32 -0.51 0.02 0.00 0.00 175.26 175.65 3a1i s LEU 432 N -3.41 4.42 0.91 1.80 2.01 0.88 -4.71 118.68 120.58 3a1i s LEU 432 Ca 0.69 2.67 -0.12 0.00 0.01 0.00 0.00 54.13 57.38 3a1i s LEU 432 Cb -0.30 -3.64 0.14 0.00 0.01 0.00 0.00 46.19 42.39 3a1i s LEU 432 CO 0.35 -0.55 1.10 -2.16 1.01 0.00 0.00 176.35 176.10 3a1i s PRO 433 N -1.56 1.14 0.16 1.29 0.04 -1.26 -5.03 135.00 129.78 3a1i s PRO 433 Ca 0.50 0.57 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 3a1i s PRO 433 Cb -0.40 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3a1i s PRO 433 CO 0.51 -2.26 0.57 0.00 0.04 0.00 0.00 177.00 175.86 3a1i s ALA 434 N -3.07 3.56 -0.21 8.56 0.00 -1.26 -4.91 121.76 124.44 3a1i s ALA 434 Ca 0.64 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 3a1i s ALA 434 Cb -0.17 -2.55 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 3a1i s ALA 434 CO 0.56 0.44 1.66 1.63 0.00 0.00 0.00 175.76 180.05 3a1i n LYS 435 N 0.78 0.94 0.00 0.00 4.76 -1.26 0.08 118.16 123.45 3a1i n LYS 435 Ca -0.05 -0.63 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 3a1i n LYS 435 Cb 0.52 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3a1i n LYS 435 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3a1i n ASP 436 N 3.41 0.00 -4.33 4.39 4.64 -1.26 -5.14 116.55 118.25 3a1i n ASP 436 Ca 0.20 -1.00 -0.36 0.00 -1.38 0.00 0.00 54.79 52.25 3a1i n ASP 436 Cb 0.24 0.00 0.06 0.00 -1.04 0.00 0.00 41.12 40.38 3a1i n ASP 436 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3a1i n VAL 437 N 0.00 0.93 -3.03 5.18 0.31 0.11 -4.97 118.33 116.86 3a1i n VAL 437 Ca 0.00 -0.41 -0.40 0.00 -0.01 0.00 0.00 64.34 63.52 3a1i n VAL 437 Cb 0.42 -0.45 -0.05 0.00 -0.91 0.00 0.00 33.84 32.84 3a1i n VAL 437 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a1i s ASP 438 N -1.35 7.12 0.26 4.52 2.15 -1.26 -4.94 116.67 123.17 3a1i s ASP 438 Ca 0.58 1.34 -0.02 0.00 0.43 0.00 0.00 52.55 54.89 3a1i s ASP 438 Cb -0.33 -2.44 0.53 0.00 -0.30 0.00 0.00 42.92 40.38 3a1i s ASP 438 CO 0.65 -0.00 1.75 -0.09 -0.17 0.00 0.00 175.17 177.31 3a1i h ARG 439 N 5.91 0.53 -0.25 4.34 2.43 -1.98 0.78 114.38 126.14 3a1i h ARG 439 Ca -0.43 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 3a1i h ARG 439 Cb 1.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3a1i h ARG 439 CO 0.72 0.35 -0.04 0.00 -1.51 0.00 0.00 179.97 179.49 3a1i h ALA 440 N 1.57 0.34 -0.45 2.80 0.00 -1.99 -1.70 119.26 119.83 3a1i h ALA 440 Ca 0.46 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3a1i h ALA 440 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3a1i h ALA 440 CO -0.39 0.11 0.15 1.15 0.00 0.00 0.00 179.25 180.28 3a1i h THR 441 N 0.21 1.22 -0.50 0.00 2.02 -1.72 -1.90 112.91 112.24 3a1i h THR 441 Ca 0.07 -0.70 0.10 0.00 0.77 0.00 0.00 66.41 66.64 3a1i h THR 441 Cb 0.48 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 3a1i h THR 441 CO 0.02 0.25 0.03 0.15 0.37 0.00 0.00 175.52 176.34 3a1i h PHE 442 N 0.58 0.02 -0.05 3.16 3.04 0.65 0.24 116.94 124.58 3a1i h PHE 442 Ca 0.15 0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.99 3a1i h PHE 442 Cb 0.24 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 3a1i h PHE 442 CO 0.01 -0.09 -0.60 0.82 -2.02 0.00 0.00 178.31 176.43 3a1i h ILE 443 N 0.15 1.40 0.12 1.41 2.04 -1.10 -2.66 117.51 118.86 3a1i h ILE 443 Ca 0.26 -2.00 -0.27 0.00 1.00 0.00 0.00 64.86 63.85 3a1i h ILE 443 Cb 0.38 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3a1i h ILE 443 CO -0.40 0.58 -1.22 0.74 0.00 0.00 0.00 178.15 177.85 3a1i h THR 444 N 0.12 1.52 0.00 -0.27 2.02 -0.70 -2.55 112.91 113.05 3a1i h THR 444 Ca -0.01 -3.10 0.00 0.00 0.77 0.00 0.00 66.41 64.08 3a1i h THR 444 Cb 1.09 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.44 3a1i h THR 444 CO 0.09 0.90 0.00 0.29 0.37 0.00 0.00 175.52 177.17 3a1i n LYS 445 N -3.52 0.25 -0.00 6.66 5.02 0.78 -1.12 118.16 126.23 3a1i n LYS 445 Ca -0.08 0.29 0.07 0.00 -2.02 0.00 0.00 58.31 56.57 3a1i n LYS 445 Cb 1.02 -1.84 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 3a1i n LYS 445 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a1i n ALA 446 N -1.79 3.44 -0.31 7.82 0.00 -1.01 -4.62 120.51 124.04 3a1i n ALA 446 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3a1i n ALA 446 Cb 0.37 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3a1i n ALA 446 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a1i n LEU 447 N -1.53 0.86 -0.32 0.00 4.32 -0.96 -0.08 117.00 119.29 3a1i n LEU 447 Ca 0.01 -0.86 0.14 0.00 -0.02 0.00 0.00 56.01 55.28 3a1i n LEU 447 Cb 0.26 0.00 0.56 0.00 -1.62 0.00 0.00 43.42 42.62 3a1i n LEU 447 CO 0.29 0.21 0.85 0.61 -1.22 0.00 0.00 177.39 178.14 3a1i n GLY 448 N -0.08 -0.39 0.70 -0.72 0.00 -0.28 -3.99 105.19 100.43 3a1i n GLY 448 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.72 3a1i n GLY 448 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3a1i n MET 449 N -0.31 2.66 -0.31 1.61 0.00 -1.26 -4.58 117.12 114.93 3a1i n MET 449 Ca 0.18 -2.66 0.08 0.00 0.00 0.00 0.00 57.70 55.30 3a1i n MET 449 Cb 0.31 -1.69 0.24 0.00 0.00 0.00 0.00 33.22 32.08 3a1i n MET 449 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3a1i n ILE 450 N -0.53 1.21 -0.36 3.17 -5.35 -1.26 -4.67 119.36 111.58 3a1i n ILE 450 Ca 0.19 -1.10 0.01 0.00 -0.27 0.00 0.00 62.75 61.58 3a1i n ILE 450 Cb 0.77 0.39 0.15 0.00 -1.74 0.00 0.00 39.64 39.22 3a1i n ILE 450 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a1i h ALA 451 N 2.92 1.34 0.03 -1.28 0.00 -1.86 -1.24 119.26 119.17 3a1i h ALA 451 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 3a1i h ALA 451 Cb 0.96 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3a1i h ALA 451 CO 0.05 0.48 -1.77 0.09 0.00 0.00 0.00 179.25 178.10 3a1i n ASN 452 N -4.49 1.19 -0.05 0.00 3.02 -1.26 -4.42 115.26 109.26 3a1i n ASN 452 Ca 0.14 0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 54.93 3a1i n ASN 452 Cb 0.14 -0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 38.91 3a1i n ASN 452 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3a1i h THR 453 N 0.02 1.59 -0.71 3.41 1.35 -1.75 -3.38 112.91 113.43 3a1i h THR 453 Ca -0.32 -1.91 0.15 0.00 -0.55 0.00 0.00 66.41 63.79 3a1i h THR 453 Cb 2.02 2.86 -0.11 0.00 -1.73 0.00 0.00 68.15 71.19 3a1i h THR 453 CO 0.08 0.48 0.14 0.00 -0.25 0.00 0.00 175.52 175.98 3a1i h ALA 454 N 0.11 0.88 -0.95 6.62 0.00 -0.87 -2.36 119.26 122.69 3a1i h ALA 454 Ca -0.00 0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.33 3a1i h ALA 454 Cb 0.80 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 3a1i h ALA 454 CO 0.00 -0.35 0.47 -1.35 0.00 0.00 0.00 179.25 178.03 3a1i h PRO 455 N 0.24 0.40 0.00 0.00 0.11 -1.77 0.25 132.00 131.23 3a1i h PRO 455 Ca 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3a1i h PRO 455 Cb 0.66 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3a1i h PRO 455 CO -0.51 0.27 0.00 1.19 -0.21 0.00 0.00 178.00 178.73 3a1i n PHE 456 N -5.02 0.64 -0.00 0.65 3.01 -0.89 -2.03 117.46 113.81 3a1i n PHE 456 Ca 0.26 0.23 -0.18 0.00 1.01 0.00 0.00 57.45 58.77 3a1i n PHE 456 Cb 0.76 -0.87 -0.08 0.00 -0.01 0.00 0.00 39.48 39.28 3a1i n PHE 456 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3a1i h ASP 457 N 0.00 0.93 0.51 4.37 5.19 -0.57 0.12 116.42 126.97 3a1i h ASP 457 Ca 0.00 -0.65 -0.27 0.00 -0.62 0.00 0.00 57.03 55.50 3a1i h ASP 457 Cb 0.44 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 39.68 3a1i h ASP 457 CO 0.00 1.45 -1.19 1.62 -3.12 0.00 0.00 179.24 178.00 3a1i h VAL 458 N 0.50 1.45 0.00 -1.35 3.04 -1.37 -3.27 116.25 115.24 3a1i h VAL 458 Ca -0.07 -2.85 -0.15 0.00 -1.01 0.00 0.00 66.70 62.61 3a1i h VAL 458 Cb 1.49 2.81 -0.02 0.00 -2.01 0.00 0.00 31.29 33.56 3a1i h VAL 458 CO 0.17 0.84 -0.79 0.71 -1.01 0.00 0.00 177.57 177.50 3a1i h THR 459 N 0.13 1.13 0.00 3.17 1.35 -1.48 -3.48 112.91 113.72 3a1i h THR 459 Ca -0.13 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 3a1i h THR 459 Cb 1.89 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.85 3a1i h THR 459 CO 0.20 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 3a1i n GLY 460 N 1.29 1.00 3.69 5.82 0.00 0.42 -4.96 105.19 112.44 3a1i n GLY 460 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3a1i n GLY 460 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a1i n HIS 461 N -2.00 1.94 -2.10 1.61 8.25 -1.21 -1.40 115.22 120.31 3a1i n HIS 461 Ca 0.00 0.50 -0.41 0.00 -0.26 0.00 0.00 57.72 57.54 3a1i n HIS 461 Cb 0.00 -2.34 -0.03 0.00 1.12 0.00 0.00 29.99 28.74 3a1i n HIS 461 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3a1i s PRO 462 N -2.29 4.32 -0.05 -0.41 0.04 -1.25 -4.69 135.00 130.67 3a1i s PRO 462 Ca 0.63 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.87 3a1i s PRO 462 Cb -0.50 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 30.94 3a1i s PRO 462 CO 0.56 -0.32 0.01 0.45 0.04 0.00 0.00 177.00 177.74 3a1i s SER 463 N 0.22 1.04 -0.10 6.66 0.15 0.23 -2.23 113.70 119.67 3a1i s SER 463 Ca 0.57 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 57.21 3a1i s SER 463 Cb -0.40 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 3a1i s SER 463 CO 0.43 -0.17 -0.15 -0.22 1.20 0.00 0.00 173.24 174.33 3a1i s LEU 464 N 1.64 2.62 -0.22 3.45 2.96 0.77 -0.97 118.68 128.92 3a1i s LEU 464 Ca -0.01 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 3a1i s LEU 464 Cb -0.13 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3a1i s LEU 464 CO -0.03 0.21 0.04 -0.55 -1.32 0.00 0.00 176.35 174.70 3a1i s SER 465 N 0.08 5.14 -0.06 3.68 0.15 0.62 0.26 113.70 123.59 3a1i s SER 465 Ca -0.07 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.49 3a1i s SER 465 Cb -0.15 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3a1i s SER 465 CO 0.05 0.05 -0.17 0.54 1.20 0.00 0.00 173.24 174.90 3a1i s VAL 466 N 1.11 1.48 0.05 4.45 0.11 -0.02 -1.53 120.40 126.06 3a1i s VAL 466 Ca 0.04 -0.73 -0.35 0.00 -2.93 0.00 0.00 61.98 58.01 3a1i s VAL 466 Cb -0.14 -1.29 -0.14 0.00 -1.53 0.00 0.00 36.38 33.28 3a1i s VAL 466 CO 0.03 0.43 1.61 -2.65 -3.33 0.00 0.00 175.10 171.18 3a1i n PRO 467 N 3.31 1.84 0.00 1.54 -0.02 -1.26 -0.84 135.00 139.58 3a1i n PRO 467 Ca -0.19 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 3a1i n PRO 467 Cb 0.53 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3a1i n PRO 467 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a1i n ALA 468 N 4.11 3.11 0.00 3.55 0.00 -0.29 -4.80 120.51 126.20 3a1i n ALA 468 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3a1i n ALA 468 Cb 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3a1i n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1i n GLY 469 N 1.07 -0.23 3.37 0.00 0.00 -1.24 -4.92 105.19 103.23 3a1i n GLY 469 Ca 0.04 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 3a1i n GLY 469 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1i s LEU 470 N 0.00 2.26 -0.19 0.99 1.43 -1.26 -1.46 118.68 120.45 3a1i s LEU 470 Ca 0.00 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3a1i s LEU 470 Cb 0.00 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.93 3a1i s LEU 470 CO 0.00 0.27 -0.02 -0.69 0.23 0.00 0.00 176.35 176.13 3a1i s VAL 471 N -0.81 0.99 -1.36 -1.59 1.01 0.13 -4.70 120.40 114.06 3a1i s VAL 471 Ca 0.12 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 3a1i s VAL 471 Cb -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3a1i s VAL 471 CO 0.02 -0.02 1.18 0.59 0.00 0.00 0.00 175.10 176.88 3a1i n ASN 472 N 4.90 -6.31 0.00 3.32 3.02 -1.26 -1.69 115.26 117.24 3a1i n ASN 472 Ca -0.11 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3a1i n ASN 472 Cb 0.47 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.62 3a1i n ASN 472 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1i n GLY 473 N -2.00 1.39 3.69 7.41 0.00 -1.26 -5.00 105.19 109.42 3a1i n GLY 473 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3a1i n GLY 473 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1i s LEU 474 N 0.00 3.56 0.42 0.99 1.43 -0.68 -5.00 118.68 119.40 3a1i s LEU 474 Ca 0.00 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 3a1i s LEU 474 Cb 0.00 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3a1i s LEU 474 CO 0.00 0.33 1.36 -2.84 0.23 0.00 0.00 176.35 175.43 3a1i s PRO 475 N -1.19 3.89 0.15 1.29 0.02 -1.26 0.19 135.00 138.09 3a1i s PRO 475 Ca 0.16 2.28 0.08 0.00 0.02 0.00 0.00 61.00 63.53 3a1i s PRO 475 Cb -0.11 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 3a1i s PRO 475 CO 0.06 -0.60 -0.17 0.14 -0.33 0.00 0.00 177.00 176.11 3a1i s VAL 476 N -1.23 1.64 0.05 3.83 -7.23 -0.54 -4.64 120.40 112.29 3a1i s VAL 476 Ca 0.58 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.98 3a1i s VAL 476 Cb -0.41 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 3a1i s VAL 476 CO 0.52 -0.34 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.97 3a1i s GLY 477 N -2.55 1.00 -0.19 2.32 0.00 -1.26 -1.14 107.32 105.50 3a1i s GLY 477 Ca 0.13 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 3a1i s GLY 477 CO 0.05 -0.97 0.06 -0.29 0.00 0.00 0.00 173.10 171.95 3a1i s MET 478 N -1.34 3.93 -0.23 2.90 1.75 -0.02 -1.24 119.30 125.04 3a1i s MET 478 Ca 0.04 -0.36 -0.08 0.00 -1.25 0.00 0.00 55.69 54.04 3a1i s MET 478 Cb -0.09 -3.21 -0.04 0.00 2.84 0.00 0.00 34.83 34.33 3a1i s MET 478 CO 0.02 0.23 0.09 1.41 -0.65 0.00 0.00 175.02 176.12 3a1i s MET 479 N 0.50 3.81 -0.24 4.11 1.75 0.10 -0.84 119.30 128.48 3a1i s MET 479 Ca 0.03 -0.41 -0.06 0.00 -1.25 0.00 0.00 55.69 54.00 3a1i s MET 479 Cb -0.13 -3.36 -0.02 0.00 2.84 0.00 0.00 34.83 34.16 3a1i s MET 479 CO 0.01 -0.05 0.04 0.42 -0.65 0.00 0.00 175.02 174.79 3a1i s ILE 480 N 1.27 4.01 -0.03 10.11 1.01 0.14 -2.44 121.20 135.27 3a1i s ILE 480 Ca 0.05 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3a1i s ILE 480 Cb -0.14 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 3a1i s ILE 480 CO 0.04 0.36 -0.24 -0.89 0.00 0.00 0.00 174.94 174.22 3a1i s THR 481 N 1.57 1.89 0.00 2.92 2.01 0.70 -0.16 115.64 124.57 3a1i s THR 481 Ca 0.06 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.06 3a1i s THR 481 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.78 3a1i s THR 481 CO 0.01 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3a1i n GLY 482 N 2.68 4.32 3.73 4.40 0.00 -0.95 0.58 105.19 119.97 3a1i n GLY 482 Ca -0.16 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3a1i n GLY 482 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1i s ARG 483 N -1.43 2.25 0.10 1.61 0.52 -1.26 -3.84 118.95 116.89 3a1i s ARG 483 Ca 0.00 1.63 -0.34 0.00 -0.52 0.00 0.00 55.73 56.50 3a1i s ARG 483 Cb 0.00 -1.86 -0.13 0.00 0.52 0.00 0.00 34.95 33.48 3a1i s ARG 483 CO 0.00 -1.72 1.69 0.72 0.02 0.00 0.00 175.30 176.00 3a1i n HIS 484 N -2.76 2.35 -1.59 -0.53 8.25 -1.26 -1.38 115.22 118.30 3a1i n HIS 484 Ca 0.12 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.58 3a1i n HIS 484 Cb 0.51 -2.60 -0.05 0.00 1.12 0.00 0.00 29.99 28.97 3a1i n HIS 484 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3a1i n PHE 485 N 4.48 -0.14 -1.73 4.41 3.72 -1.26 -4.87 117.46 122.08 3a1i n PHE 485 Ca 0.18 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.36 3a1i n PHE 485 Cb 0.30 -2.61 0.07 0.00 -0.94 0.00 0.00 39.48 36.30 3a1i n PHE 485 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3a1i n ASP 486 N -0.36 5.12 -0.18 4.37 4.64 -0.48 -4.71 116.55 124.96 3a1i n ASP 486 Ca -0.15 -3.77 0.13 0.00 -1.38 0.00 0.00 54.79 49.62 3a1i n ASP 486 Cb 0.50 -0.57 0.46 0.00 -1.04 0.00 0.00 41.12 40.47 3a1i n ASP 486 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3a1i h ASP 487 N 1.89 0.48 -0.50 1.67 5.19 -1.90 -2.09 116.42 121.16 3a1i h ASP 487 Ca 0.40 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.89 3a1i h ASP 487 Cb 1.37 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.75 3a1i h ASP 487 CO 0.90 0.26 0.20 0.00 -3.12 0.00 0.00 179.24 177.48 3a1i h ALA 488 N 1.64 0.62 -0.20 3.45 0.00 -1.86 0.51 119.26 123.43 3a1i h ALA 488 Ca 0.36 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 3a1i h ALA 488 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3a1i h ALA 488 CO -0.13 -0.19 -0.44 1.15 0.00 0.00 0.00 179.25 179.64 3a1i h THR 489 N 0.39 1.31 -0.43 0.00 2.02 -1.76 -0.31 112.91 114.13 3a1i h THR 489 Ca 0.24 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 3a1i h THR 489 Cb 0.23 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3a1i h THR 489 CO -0.22 0.51 0.19 0.58 0.37 0.00 0.00 175.52 176.94 3a1i h VAL 490 N 0.39 1.19 -0.42 3.16 2.07 -1.14 -1.60 116.25 119.90 3a1i h VAL 490 Ca 0.03 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3a1i h VAL 490 Cb 0.94 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3a1i h VAL 490 CO 0.08 0.21 0.01 -0.07 0.02 0.00 0.00 177.57 177.83 3a1i h LEU 491 N 0.55 0.71 -0.38 2.57 3.38 -0.73 -2.05 115.31 119.37 3a1i h LEU 491 Ca 0.15 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3a1i h LEU 491 Cb 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3a1i h LEU 491 CO -0.02 0.84 0.11 -0.09 0.09 0.00 0.00 178.44 179.37 3a1i h ARG 492 N 0.57 0.24 -0.68 1.13 2.43 -0.84 0.35 114.38 117.58 3a1i h ARG 492 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3a1i h ARG 492 Cb 0.46 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3a1i h ARG 492 CO 0.02 0.16 0.37 0.28 -1.51 0.00 0.00 179.97 179.29 3a1i h VAL 493 N 0.24 1.21 -0.72 0.20 2.07 -1.22 0.23 116.25 118.28 3a1i h VAL 493 Ca 0.18 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3a1i h VAL 493 Cb 0.18 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3a1i h VAL 493 CO -0.20 0.23 0.45 1.23 0.02 0.00 0.00 177.57 179.30 3a1i h GLY 494 N 0.93 1.02 0.87 2.17 0.00 -0.58 0.97 103.07 108.45 3a1i h GLY 494 Ca 0.24 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3a1i h GLY 494 CO -0.04 0.39 -0.08 -0.09 0.00 0.00 0.00 176.54 176.72 3a1i h ARG 495 N 0.97 -0.22 -0.92 4.80 9.65 0.35 -1.27 114.38 127.75 3a1i h ARG 495 Ca 0.26 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.27 3a1i h ARG 495 Cb -0.07 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.48 3a1i h ARG 495 CO -0.05 -0.04 0.55 0.00 2.80 0.00 0.00 179.97 183.22 3a1i h ALA 496 N 0.44 1.36 -0.63 2.80 0.00 -0.23 0.34 119.26 123.34 3a1i h ALA 496 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3a1i h ALA 496 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3a1i h ALA 496 CO 0.04 0.13 0.14 0.35 0.00 0.00 0.00 179.25 179.92 3a1i h PHE 497 N 0.87 1.03 -0.20 0.00 3.04 -0.56 -2.45 116.94 118.67 3a1i h PHE 497 Ca 0.46 -0.11 0.02 0.00 3.98 0.00 0.00 57.97 62.31 3a1i h PHE 497 Cb 0.47 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 3a1i h PHE 497 CO -0.04 0.86 0.06 0.93 -2.02 0.00 0.00 178.31 178.10 3a1i h GLU 498 N 0.94 0.15 -0.37 1.11 5.08 0.26 0.29 114.58 122.04 3a1i h GLU 498 Ca 0.20 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 3a1i h GLU 498 Cb 0.35 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3a1i h GLU 498 CO 0.00 0.10 0.12 0.87 -1.00 0.00 0.00 179.01 179.11 3a1i h LYS 499 N 0.16 0.27 0.18 2.33 1.57 -1.19 0.39 116.57 120.28 3a1i h LYS 499 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3a1i h LYS 499 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3a1i h LYS 499 CO -0.09 0.18 -0.09 1.25 -0.57 0.00 0.00 179.45 180.12 3a1i h LEU 500 N 0.27 -0.21 -1.30 2.94 5.85 -1.14 -3.00 115.31 118.73 3a1i h LEU 500 Ca 0.17 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3a1i h LEU 500 Cb 0.15 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3a1i h LEU 500 CO -0.18 0.03 0.51 -0.09 -0.34 0.00 0.00 178.44 178.37 3a1i h ARG 501 N -0.45 0.85 0.00 1.25 2.43 -0.22 -3.49 114.38 114.75 3a1i h ARG 501 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3a1i h ARG 501 Cb 0.35 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3a1i h ARG 501 CO 0.04 0.56 0.00 0.41 -1.51 0.00 0.00 179.97 179.48 3a1i n GLY 502 N -1.43 -0.05 3.62 2.80 0.00 0.14 -4.92 105.19 105.35 3a1i n GLY 502 Ca 0.11 -1.81 -0.47 0.00 0.00 0.00 0.00 46.02 43.85 3a1i n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1i n ALA 503 N 0.15 0.13 -2.70 4.61 0.00 -1.26 -4.84 120.51 116.61 3a1i n ALA 503 Ca 0.00 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 3a1i n ALA 503 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.23 3a1i n ALA 503 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3a1i s PHE 504 N -0.02 3.52 0.69 0.00 2.19 -1.26 -5.05 117.98 118.05 3a1i s PHE 504 Ca 0.72 0.72 -0.17 0.00 0.33 0.00 0.00 56.93 58.54 3a1i s PHE 504 Cb -0.76 -2.36 -0.01 0.00 -1.31 0.00 0.00 43.02 38.58 3a1i s PHE 504 CO 0.50 0.31 0.94 -0.35 1.83 0.00 0.00 175.22 178.45 3a1i n PRO 505 N 3.23 0.60 -3.86 10.12 -0.04 -1.26 -5.02 135.00 138.77 3a1i n PRO 505 Ca -0.12 0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 3a1i n PRO 505 Cb 0.52 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 3a1i n PRO 505 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3a1i s THR 506 N -1.74 5.41 -0.20 0.52 2.01 -1.26 -4.96 115.64 115.42 3a1i s THR 506 Ca 0.74 -0.02 0.19 0.00 0.31 0.00 0.00 61.69 62.91 3a1i s THR 506 Cb -0.36 -3.53 0.19 0.00 0.01 0.00 0.00 72.50 68.81 3a1i s THR 506 CO 0.50 0.37 1.57 -0.81 -0.69 0.00 0.00 174.62 175.55 3a1i n PRO 507 N 1.11 0.12 0.00 4.92 -0.04 -1.26 0.11 135.00 139.97 3a1i n PRO 507 Ca -0.12 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 3a1i n PRO 507 Cb 0.53 -1.96 0.19 0.00 -0.04 0.00 0.00 33.50 32.21 3a1i n PRO 507 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a1i n ALA 508 N -1.73 3.57 1.05 0.55 0.00 -1.26 -4.84 120.51 117.85 3a1i n ALA 508 Ca -0.01 -0.47 0.12 0.00 0.00 0.00 0.00 53.44 53.08 3a1i n ALA 508 Cb 0.08 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 18.67 3a1i n ALA 508 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89