#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3l n MET 1 N 0.00 0.02 -2.04 -0.41 2.00 -1.26 -4.96 117.12 110.47 3i3l n MET 1 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 3i3l n MET 1 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 31.69 3i3l n MET 1 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3i3l s THR 2 N -3.01 2.73 0.13 2.03 2.01 -1.26 -5.04 115.64 113.22 3i3l s THR 2 Ca 0.09 0.62 0.04 0.00 0.31 0.00 0.00 61.69 62.74 3i3l s THR 2 Cb 0.17 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3i3l s THR 2 CO 0.80 0.10 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.61 3i3l s ARG 3 N -0.44 0.97 0.08 4.92 1.81 -1.26 -4.63 118.95 120.41 3i3l s ARG 3 Ca 0.58 -1.39 0.03 0.00 -1.72 0.00 0.00 55.73 53.24 3i3l s ARG 3 Cb -0.41 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 3i3l s ARG 3 CO 0.43 0.05 0.05 -1.12 -0.68 0.00 0.00 175.30 174.04 3i3l s SER 4 N -3.06 5.38 -0.12 0.23 0.01 -1.26 -4.95 113.70 109.94 3i3l s SER 4 Ca 0.14 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 57.09 3i3l s SER 4 Cb 0.03 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.83 3i3l s SER 4 CO -0.01 0.18 0.80 -0.75 0.41 0.00 0.00 173.24 173.86 3i3l s LYS 5 N -2.35 4.37 -0.10 12.44 2.20 -1.26 -1.39 119.74 133.66 3i3l s LYS 5 Ca 0.28 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 3i3l s LYS 5 Cb -0.12 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3i3l s LYS 5 CO 0.21 -0.17 -0.09 0.08 -0.36 0.00 0.00 175.35 175.03 3i3l s VAL 6 N 1.57 1.02 0.06 4.02 1.01 -0.03 -1.00 120.40 127.06 3i3l s VAL 6 Ca 0.39 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3i3l s VAL 6 Cb -0.17 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 3i3l s VAL 6 CO 0.16 0.36 0.59 0.00 0.00 0.00 0.00 175.10 176.21 3i3l s ALA 7 N 1.40 3.56 -0.15 5.51 0.00 -0.69 -1.55 121.76 129.85 3i3l s ALA 7 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3i3l s ALA 7 Cb -0.13 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.33 3i3l s ALA 7 CO -0.05 0.34 -0.12 0.42 0.00 0.00 0.00 175.76 176.35 3i3l s ILE 8 N -0.91 1.45 -0.32 0.00 1.01 0.36 -0.87 121.20 121.91 3i3l s ILE 8 Ca 0.30 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 3i3l s ILE 8 Cb -0.20 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 3i3l s ILE 8 CO 0.19 0.41 0.68 -0.63 0.00 0.00 0.00 174.94 175.59 3i3l s ILE 9 N 1.53 4.88 0.00 2.92 1.01 -0.14 -1.15 121.20 130.25 3i3l s ILE 9 Ca 0.04 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3i3l s ILE 9 Cb -0.13 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3i3l s ILE 9 CO -0.10 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.22 3i3l n GLY 10 N 4.45 2.15 1.03 6.18 0.00 0.72 -0.16 105.19 119.57 3i3l n GLY 10 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 3i3l n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 11 N 2.27 4.79 0.00 -0.02 0.00 -1.26 -4.06 105.19 106.91 3i3l n GLY 11 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3i3l n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 12 N -1.05 -1.63 0.26 -0.02 0.00 -1.26 -4.46 105.19 97.03 3i3l n GLY 12 Ca 0.30 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.78 3i3l n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i3l h PRO 13 N 0.00 0.42 -0.23 1.61 0.11 -1.94 -0.88 132.00 131.09 3i3l h PRO 13 Ca 0.00 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.10 3i3l h PRO 13 Cb 0.00 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3i3l h PRO 13 CO 0.00 0.28 0.11 0.00 -0.21 0.00 0.00 178.00 178.17 3i3l h ALA 14 N 1.50 0.27 0.05 -0.75 0.00 -1.88 -1.60 119.26 116.85 3i3l h ALA 14 Ca 0.37 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3i3l h ALA 14 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i3l h ALA 14 CO -0.37 -0.30 -0.03 0.78 0.00 0.00 0.00 179.25 179.33 3i3l h GLY 15 N 0.23 -0.07 0.96 0.00 0.00 -1.51 -0.88 103.07 101.81 3i3l h GLY 15 Ca 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3i3l h GLY 15 CO -0.07 -0.03 0.06 1.76 0.00 0.00 0.00 176.54 178.26 3i3l h SER 16 N -0.19 0.12 -0.70 0.19 0.02 -1.18 -0.76 113.55 111.05 3i3l h SER 16 Ca -0.01 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 3i3l h SER 16 Cb 0.17 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 3i3l h SER 16 CO 0.01 0.13 0.25 0.58 -1.14 0.00 0.00 176.83 176.66 3i3l h VAL 17 N 0.10 1.25 -0.53 2.27 2.07 -1.34 -0.10 116.25 119.97 3i3l h VAL 17 Ca 0.03 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3i3l h VAL 17 Cb 0.03 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3i3l h VAL 17 CO -0.01 0.33 0.35 0.00 0.02 0.00 0.00 177.57 178.27 3i3l h ALA 18 N 1.11 0.68 -0.11 1.67 0.00 -0.93 -1.17 119.26 120.51 3i3l h ALA 18 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i3l h ALA 18 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i3l h ALA 18 CO -0.01 0.12 -0.04 0.78 0.00 0.00 0.00 179.25 180.09 3i3l h GLY 19 N 0.72 0.24 0.44 0.00 0.00 -0.86 -0.31 103.07 103.30 3i3l h GLY 19 Ca 0.20 -0.21 0.11 0.00 0.00 0.00 0.00 47.33 47.42 3i3l h GLY 19 CO -0.04 0.19 0.44 1.41 0.00 0.00 0.00 176.54 178.54 3i3l h LEU 20 N -0.12 0.60 -0.16 3.11 3.38 -1.04 0.24 115.31 121.31 3i3l h LEU 20 Ca 0.03 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3i3l h LEU 20 Cb 0.48 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3i3l h LEU 20 CO 0.01 0.32 -0.35 0.74 0.09 0.00 0.00 178.44 179.26 3i3l h THR 21 N 0.71 1.35 -0.69 0.22 2.02 -0.98 -2.20 112.91 113.34 3i3l h THR 21 Ca 0.40 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3i3l h THR 21 Cb 0.43 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3i3l h THR 21 CO -0.28 0.48 0.36 -0.07 0.37 0.00 0.00 175.52 176.39 3i3l h LEU 22 N 0.16 0.86 -0.14 2.58 3.38 -0.82 -1.18 115.31 120.15 3i3l h LEU 22 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3i3l h LEU 22 Cb 0.95 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3i3l h LEU 22 CO 0.08 0.71 0.03 -0.74 0.09 0.00 0.00 178.44 178.61 3i3l h HIS 23 N 0.97 0.23 -0.16 1.13 2.76 -0.93 -0.16 115.15 118.99 3i3l h HIS 23 Ca 0.24 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3i3l h HIS 23 Cb 0.05 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3i3l h HIS 23 CO 0.01 0.37 0.11 -0.22 -1.30 0.00 0.00 177.93 176.90 3i3l h LYS 24 N 0.02 0.19 -0.01 5.26 3.64 -1.19 0.14 116.57 124.63 3i3l h LYS 24 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3i3l h LYS 24 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3i3l h LYS 24 CO 0.00 0.13 0.00 1.28 -2.27 0.00 0.00 179.45 178.59 3i3l n LEU 25 N -4.51 0.43 0.00 5.20 4.77 -0.46 -4.91 117.00 117.51 3i3l n LEU 25 Ca -0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3i3l n LEU 25 Cb 0.09 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3i3l n LEU 25 CO 0.34 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3i3l n GLY 26 N 1.03 0.77 4.01 -0.72 0.00 0.49 -5.06 105.19 105.71 3i3l n GLY 26 Ca 0.22 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 3i3l n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i3l s HIS 27 N -2.00 2.58 -0.38 1.61 3.76 -0.12 -4.83 115.29 115.91 3i3l s HIS 27 Ca 0.00 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.45 3i3l s HIS 27 Cb 0.00 -2.43 0.06 0.00 1.11 0.00 0.00 32.58 31.32 3i3l s HIS 27 CO 0.00 -0.63 0.19 0.34 -0.85 0.00 0.00 174.74 173.79 3i3l s ASP 28 N -4.42 5.49 -0.11 1.40 2.15 -0.48 -4.30 116.67 116.40 3i3l s ASP 28 Ca 0.57 -1.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.16 3i3l s ASP 28 Cb -0.09 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.56 3i3l s ASP 28 CO 0.35 -0.45 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.20 3i3l s VAL 29 N 1.40 4.13 -0.08 1.11 1.01 -1.26 -0.85 120.40 125.86 3i3l s VAL 29 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3i3l s VAL 29 Cb -0.21 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3i3l s VAL 29 CO 0.02 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 174.60 3i3l s THR 30 N -0.39 1.69 -0.19 3.92 2.01 -0.60 -2.79 115.64 119.29 3i3l s THR 30 Ca 0.07 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 3i3l s THR 30 Cb -0.12 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 3i3l s THR 30 CO 0.02 0.48 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.73 3i3l s ILE 31 N 0.43 3.29 -0.33 1.82 1.01 0.02 -0.49 121.20 126.95 3i3l s ILE 31 Ca -0.16 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 3i3l s ILE 31 Cb -0.17 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.85 3i3l s ILE 31 CO 0.07 0.46 0.14 -0.31 0.00 0.00 0.00 174.94 175.30 3i3l s TYR 32 N 1.14 3.20 -0.16 3.97 2.02 -0.30 -0.65 117.35 126.58 3i3l s TYR 32 Ca 0.02 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 3i3l s TYR 32 Cb -0.14 -2.34 -0.00 0.00 -0.40 0.00 0.00 41.96 39.07 3i3l s TYR 32 CO -0.01 -0.59 -0.15 -2.00 -1.57 0.00 0.00 175.55 171.23 3i3l s GLU 33 N 1.54 3.24 0.46 -0.62 2.56 -0.37 -0.20 118.70 125.31 3i3l s GLU 33 Ca 0.02 -0.74 0.26 0.00 0.00 0.00 0.00 54.97 54.51 3i3l s GLU 33 Cb -0.18 -2.64 1.01 0.00 2.00 0.00 0.00 34.13 34.31 3i3l s GLU 33 CO 0.05 0.03 1.86 0.07 -0.56 0.00 0.00 175.26 176.70 3i3l h ARG 34 N 7.28 0.00 -6.72 4.30 0.11 -1.84 0.40 114.38 117.91 3i3l h ARG 34 Ca -0.32 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.30 3i3l h ARG 34 Cb 1.19 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.31 3i3l h ARG 34 CO 0.57 0.18 -0.09 -1.12 0.10 0.00 0.00 179.97 179.61 3i3l s SER 35 N -6.11 5.16 -0.16 0.08 0.01 -1.26 -3.69 113.70 107.73 3i3l s SER 35 Ca 0.01 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 3i3l s SER 35 Cb 0.10 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 3i3l s SER 35 CO 0.62 -1.23 0.14 0.00 0.41 0.00 0.00 173.24 173.18 3i3l s ALA 36 N -2.69 3.78 0.09 1.44 0.00 -1.26 -0.96 121.76 122.16 3i3l s ALA 36 Ca 0.60 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 3i3l s ALA 36 Cb -0.08 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 3i3l s ALA 36 CO 0.38 0.39 0.33 -0.06 0.00 0.00 0.00 175.76 176.80 3i3l s PHE 37 N -0.34 3.52 0.46 0.00 0.40 -1.26 -3.89 117.98 116.87 3i3l s PHE 37 Ca 0.12 0.55 -0.21 0.00 -0.60 0.00 0.00 56.93 56.79 3i3l s PHE 37 Cb -0.12 -1.99 -0.09 0.00 0.51 0.00 0.00 43.02 41.33 3i3l s PHE 37 CO 0.01 0.51 1.01 -1.25 0.70 0.00 0.00 175.22 176.20 3i3l s PRO 38 N -2.31 3.95 0.00 0.24 0.04 -1.26 -5.12 135.00 130.54 3i3l s PRO 38 Ca 0.36 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.70 3i3l s PRO 38 Cb -0.13 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 3i3l s PRO 38 CO 0.22 -0.29 -0.04 -0.98 0.04 0.00 0.00 177.00 175.94 3i3l s ARG 39 N -3.18 0.34 0.34 4.56 1.04 -1.25 -5.08 118.95 115.72 3i3l s ARG 39 Ca 0.65 -0.25 -0.29 0.00 -1.04 0.00 0.00 55.73 54.81 3i3l s ARG 39 Cb -0.14 -0.28 -0.11 0.00 -2.04 0.00 0.00 34.95 32.38 3i3l s ARG 39 CO 0.18 0.07 1.42 -0.47 -0.04 0.00 0.00 175.30 176.46 3i3l s TYR 40 N -0.34 2.80 -0.22 5.89 5.04 -1.26 -3.76 117.35 125.49 3i3l s TYR 40 Ca -0.01 1.22 -0.15 0.00 -2.44 0.00 0.00 57.07 55.69 3i3l s TYR 40 Cb -0.03 -3.88 0.07 0.00 0.35 0.00 0.00 41.96 38.46 3i3l s TYR 40 CO -0.00 -2.59 0.56 0.50 -1.34 0.00 0.00 175.55 172.69 3i3l s ARG 41 N -1.75 0.60 0.52 4.97 6.06 -1.26 -4.91 118.95 123.17 3i3l s ARG 41 Ca 0.52 0.95 -0.10 0.00 -2.50 0.00 0.00 55.73 54.60 3i3l s ARG 41 Cb -0.44 0.15 -0.05 0.00 0.06 0.00 0.00 34.95 34.67 3i3l s ARG 41 CO 0.57 -0.13 0.90 0.54 -2.50 0.00 0.00 175.30 174.68 3i3l s VAL 42 N 1.11 4.75 0.00 7.11 0.11 -1.26 -4.22 120.40 127.99 3i3l s VAL 42 Ca -0.06 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 3i3l s VAL 42 Cb -0.06 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 3i3l s VAL 42 CO -0.11 -0.85 0.00 0.61 -3.33 0.00 0.00 175.10 171.43 3i3l n GLY 43 N -2.08 0.67 0.00 6.54 0.00 -1.26 -5.02 105.19 104.04 3i3l n GLY 43 Ca 0.04 -0.71 0.07 0.00 0.00 0.00 0.00 46.02 45.42 3i3l n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i3l n GLU 44 N 0.00 2.26 -3.83 1.61 1.02 -1.26 -4.89 120.64 115.55 3i3l n GLU 44 Ca 0.00 -0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3i3l n GLU 44 Cb 0.00 -1.17 -0.13 0.00 -0.02 0.00 0.00 31.44 30.11 3i3l n GLU 44 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i3l s SER 45 N -2.38 4.71 0.54 1.62 0.15 -1.26 -1.00 113.70 116.08 3i3l s SER 45 Ca 0.05 -0.37 0.09 0.00 0.70 0.00 0.00 55.95 56.42 3i3l s SER 45 Cb 0.11 -1.82 0.06 0.00 -1.71 0.00 0.00 66.02 62.66 3i3l s SER 45 CO 0.58 -0.05 0.70 -0.76 1.20 0.00 0.00 173.24 174.91 3i3l s LEU 46 N 1.53 3.17 0.14 3.45 1.43 -0.74 -4.83 118.68 122.82 3i3l s LEU 46 Ca 0.05 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.41 3i3l s LEU 46 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3i3l s LEU 46 CO -0.00 -1.19 -0.15 -0.76 0.23 0.00 0.00 176.35 174.48 3i3l s LEU 47 N -4.55 2.43 0.36 1.79 1.43 -1.26 -4.38 118.68 114.50 3i3l s LEU 47 Ca 0.57 -0.85 0.10 0.00 -1.03 0.00 0.00 54.13 52.92 3i3l s LEU 47 Cb -0.06 -0.62 0.85 0.00 0.03 0.00 0.00 46.19 46.39 3i3l s LEU 47 CO 0.36 -0.13 1.86 -0.65 0.23 0.00 0.00 176.35 178.02 3i3l h PRO 48 N 3.32 0.63 -0.34 1.29 0.11 -1.67 -1.99 132.00 133.36 3i3l h PRO 48 Ca -0.40 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3i3l h PRO 48 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3i3l h PRO 48 CO 0.52 0.42 0.15 0.78 -0.21 0.00 0.00 178.00 179.66 3i3l h GLY 49 N 0.65 0.50 1.54 -0.55 0.00 -0.46 -0.80 103.07 103.95 3i3l h GLY 49 Ca 0.46 -0.22 -0.24 0.00 0.00 0.00 0.00 47.33 47.33 3i3l h GLY 49 CO -0.21 0.21 -1.01 -0.84 0.00 0.00 0.00 176.54 174.69 3i3l h THR 50 N 0.47 1.41 -0.74 4.70 2.02 -1.61 -2.87 112.91 116.28 3i3l h THR 50 Ca 0.12 -2.54 -0.06 0.00 0.77 0.00 0.00 66.41 64.69 3i3l h THR 50 Cb 0.08 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3i3l h THR 50 CO -0.01 0.76 0.22 0.24 0.37 0.00 0.00 175.52 177.09 3i3l h MET 51 N 0.21 1.17 -0.85 6.66 2.86 -1.24 -1.03 114.93 122.71 3i3l h MET 51 Ca -0.10 -0.26 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3i3l h MET 51 Cb 1.66 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 33.09 3i3l h MET 51 CO 0.17 1.00 0.51 1.03 1.06 0.00 0.00 176.91 180.69 3i3l h SER 52 N 1.11 0.78 -0.08 1.22 0.87 -1.16 0.71 113.55 117.01 3i3l h SER 52 Ca 0.24 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3i3l h SER 52 Cb 0.33 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3i3l h SER 52 CO -0.00 0.48 -0.08 0.40 -0.53 0.00 0.00 176.83 177.10 3i3l h ILE 53 N 0.91 1.37 -0.49 2.23 2.04 -1.18 -1.86 117.51 120.52 3i3l h ILE 53 Ca 0.38 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3i3l h ILE 53 Cb 0.24 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3i3l h ILE 53 CO -0.20 0.35 0.29 -0.07 0.00 0.00 0.00 178.15 178.52 3i3l h LEU 54 N -0.22 0.58 -0.15 1.44 3.38 -0.98 -1.70 115.31 117.66 3i3l h LEU 54 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3i3l h LEU 54 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3i3l h LEU 54 CO 0.02 0.44 -0.00 -1.13 0.09 0.00 0.00 178.44 177.86 3i3l h ASN 55 N 0.67 0.25 0.47 -0.43 -1.24 -0.65 -1.29 115.58 113.37 3i3l h ASN 55 Ca 0.18 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 56.88 3i3l h ASN 55 Cb -0.03 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.95 3i3l h ASN 55 CO -0.03 0.50 0.00 0.03 -1.29 0.00 0.00 177.43 176.64 3i3l h ARG 56 N -0.00 0.00 -0.12 6.67 3.08 -0.92 -0.25 114.38 122.84 3i3l h ARG 56 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3i3l h ARG 56 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3i3l h ARG 56 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 3i3l n LEU 57 N -2.41 2.85 0.00 3.04 4.77 -0.68 -4.97 117.00 119.61 3i3l n LEU 57 Ca 0.00 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3i3l n LEU 57 Cb 0.16 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3i3l n LEU 57 CO 0.17 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3i3l n GLY 58 N 1.35 0.85 0.86 -0.72 0.00 -0.10 -4.98 105.19 102.45 3i3l n GLY 58 Ca 0.16 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3i3l n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3l n LEU 59 N 0.00 2.62 -0.22 0.99 4.77 -0.53 -4.59 117.00 120.04 3i3l n LEU 59 Ca 0.00 -1.01 0.02 0.00 -0.03 0.00 0.00 56.01 54.99 3i3l n LEU 59 Cb 0.00 -0.10 0.14 0.00 -2.33 0.00 0.00 43.42 41.12 3i3l n LEU 59 CO 0.00 0.50 0.95 -0.61 -1.33 0.00 0.00 177.39 176.91 3i3l h GLN 60 N 3.72 0.32 -0.07 3.23 5.75 -1.80 -0.17 115.11 126.08 3i3l h GLN 60 Ca 0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3i3l h GLN 60 Cb 0.80 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 3i3l h GLN 60 CO 0.00 0.21 -0.04 0.93 -2.65 0.00 0.00 178.83 177.28 3i3l h GLU 61 N 0.33 0.15 -0.94 1.69 5.08 -1.98 0.08 114.58 118.99 3i3l h GLU 61 Ca 0.35 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.73 3i3l h GLU 61 Cb 0.52 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 3i3l h GLU 61 CO -0.40 0.55 0.58 0.87 -1.00 0.00 0.00 179.01 179.61 3i3l h LYS 62 N -0.24 0.96 -0.14 2.33 1.57 -1.78 -1.31 116.57 117.96 3i3l h LYS 62 Ca 0.01 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3i3l h LYS 62 Cb 0.51 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i3l h LYS 62 CO 0.01 0.64 -0.09 0.82 -0.57 0.00 0.00 179.45 180.26 3i3l h ILE 63 N 0.99 1.33 -0.92 1.86 2.04 -0.88 -2.93 117.51 119.00 3i3l h ILE 63 Ca 0.44 -1.17 0.13 0.00 1.00 0.00 0.00 64.86 65.26 3i3l h ILE 63 Cb 0.33 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.13 3i3l h ILE 63 CO -0.22 0.34 0.54 0.44 0.00 0.00 0.00 178.15 179.25 3i3l h ASP 64 N -0.06 0.75 -0.80 1.72 3.32 -0.73 0.17 116.42 120.79 3i3l h ASP 64 Ca 0.03 0.06 0.21 0.00 0.02 0.00 0.00 57.03 57.35 3i3l h ASP 64 Cb 0.58 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3i3l h ASP 64 CO 0.02 0.37 0.56 0.00 -1.72 0.00 0.00 179.24 178.48 3i3l h ALA 65 N 1.53 2.54 0.00 3.45 0.00 -1.07 -2.70 119.26 123.03 3i3l h ALA 65 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3i3l h ALA 65 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i3l h ALA 65 CO -0.30 -0.78 0.00 1.96 0.00 0.00 0.00 179.25 180.13 3i3l h GLN 66 N 0.14 0.00 -6.08 0.00 1.08 -0.82 -3.48 115.11 105.95 3i3l h GLN 66 Ca 0.39 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 57.18 3i3l h GLN 66 Cb 1.34 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.83 3i3l h GLN 66 CO -0.06 0.00 -0.83 0.09 -0.95 0.00 0.00 178.83 177.08 3i3l n ASN 67 N -2.84 -1.18 -4.77 1.46 5.03 -1.02 -4.94 115.26 107.00 3i3l n ASN 67 Ca 0.03 -0.82 -0.38 0.00 0.87 0.00 0.00 54.58 54.29 3i3l n ASN 67 Cb 0.43 -4.07 -0.00 0.00 -1.02 0.00 0.00 39.78 35.12 3i3l n ASN 67 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3i3l s TYR 68 N -3.67 2.81 0.21 3.10 2.02 -1.26 -4.93 117.35 115.64 3i3l s TYR 68 Ca 0.01 1.51 -0.32 0.00 -0.37 0.00 0.00 57.07 57.89 3i3l s TYR 68 Cb -0.00 -3.46 -0.13 0.00 -0.40 0.00 0.00 41.96 37.97 3i3l s TYR 68 CO 0.81 -1.72 1.54 0.28 -1.57 0.00 0.00 175.55 174.89 3i3l n VAL 69 N -0.46 0.46 -2.95 0.71 0.31 -1.24 -4.84 118.33 110.33 3i3l n VAL 69 Ca 0.07 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.89 3i3l n VAL 69 Cb 0.47 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 3i3l n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i3l s LYS 70 N 0.29 4.54 -0.25 5.55 1.02 -1.26 -1.04 119.74 128.59 3i3l s LYS 70 Ca 0.73 1.14 -0.03 0.00 0.02 0.00 0.00 55.97 57.82 3i3l s LYS 70 Cb -0.62 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.36 3i3l s LYS 70 CO 0.43 0.36 -0.03 0.21 -0.92 0.00 0.00 175.35 175.40 3i3l s LYS 71 N -0.37 3.05 0.26 1.68 2.20 0.58 -4.45 119.74 122.69 3i3l s LYS 71 Ca 0.39 -0.85 0.16 0.00 -0.36 0.00 0.00 55.97 55.31 3i3l s LYS 71 Cb -0.22 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 33.09 3i3l s LYS 71 CO 0.25 -0.35 1.37 -1.00 -0.36 0.00 0.00 175.35 175.25 3i3l h PRO 72 N 8.09 0.00 0.00 4.03 0.13 -1.77 -2.00 132.00 140.48 3i3l h PRO 72 Ca -0.35 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.99 3i3l h PRO 72 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 3i3l h PRO 72 CO 0.59 0.42 0.60 -1.13 -0.23 0.00 0.00 178.00 178.25 3i3l n SER 73 N -3.16 -1.04 -4.14 1.44 3.41 -1.26 -1.48 113.62 107.39 3i3l n SER 73 Ca 0.01 -1.36 -0.27 0.00 -0.26 0.00 0.00 58.87 56.99 3i3l n SER 73 Cb 0.73 1.64 -0.16 0.00 -0.26 0.00 0.00 64.21 66.15 3i3l n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3l s ALA 74 N -1.76 1.62 -0.07 7.33 0.00 -0.89 -3.00 121.76 124.99 3i3l s ALA 74 Ca 0.21 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3i3l s ALA 74 Cb -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3i3l s ALA 74 CO 0.01 0.26 -0.09 0.99 0.00 0.00 0.00 175.76 176.93 3i3l s THR 75 N 0.17 3.47 -0.11 0.00 2.01 0.10 -0.11 115.64 121.17 3i3l s THR 75 Ca -0.08 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.39 3i3l s THR 75 Cb -0.13 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.98 3i3l s THR 75 CO 0.03 0.58 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.00 3i3l s PHE 76 N -0.62 2.25 -0.54 4.92 0.08 0.45 -1.26 117.98 123.26 3i3l s PHE 76 Ca 0.09 -1.02 -0.07 0.00 0.12 0.00 0.00 56.93 56.05 3i3l s PHE 76 Cb -0.11 -1.56 0.14 0.00 -0.57 0.00 0.00 43.02 40.92 3i3l s PHE 76 CO 0.02 -0.47 0.40 -0.51 -0.10 0.00 0.00 175.22 174.56 3i3l s LEU 77 N 0.71 5.67 -0.36 -0.37 1.43 0.67 -1.86 118.68 124.57 3i3l s LEU 77 Ca -0.11 -2.25 0.03 0.00 -1.03 0.00 0.00 54.13 50.77 3i3l s LEU 77 Cb -0.16 -1.98 0.10 0.00 0.03 0.00 0.00 46.19 44.19 3i3l s LEU 77 CO 0.02 -0.58 0.09 0.86 0.23 0.00 0.00 176.35 176.96 3i3l s TRP 78 N 0.85 3.41 0.00 0.29 -0.11 -1.26 -1.85 118.94 120.27 3i3l s TRP 78 Ca 0.10 -2.86 0.00 0.00 1.22 0.00 0.00 56.10 54.56 3i3l s TRP 78 Cb -0.22 -2.75 0.00 0.00 -1.50 0.00 0.00 33.47 29.00 3i3l s TRP 78 CO -0.03 -0.91 0.00 0.41 -4.62 0.00 0.00 176.95 171.80 3i3l n GLY 79 N 4.17 0.32 3.89 5.86 0.00 -1.26 -4.79 105.19 113.38 3i3l n GLY 79 Ca 0.04 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3i3l n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3l s GLN 80 N -1.45 3.53 -1.51 1.61 -1.52 -1.26 -4.37 119.66 114.69 3i3l s GLN 80 Ca 0.00 -0.18 -0.08 0.00 -1.95 0.00 0.00 55.36 53.16 3i3l s GLN 80 Cb 0.00 -3.06 0.06 0.00 -0.22 0.00 0.00 33.01 29.79 3i3l s GLN 80 CO 0.00 0.64 0.61 -0.25 -0.25 0.00 0.00 175.29 176.04 3i3l n ASP 81 N 0.90 -1.83 -4.53 5.90 8.00 -1.26 -4.94 116.55 118.79 3i3l n ASP 81 Ca -0.10 -0.97 -0.31 0.00 0.71 0.00 0.00 54.79 54.12 3i3l n ASP 81 Cb 0.52 -3.10 -0.11 0.00 -0.02 0.00 0.00 41.12 38.41 3i3l n ASP 81 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i3l s GLN 82 N -6.66 2.22 0.48 -1.24 -1.52 -1.26 -5.10 119.66 106.58 3i3l s GLN 82 Ca 0.31 -0.92 -0.23 0.00 -1.95 0.00 0.00 55.36 52.57 3i3l s GLN 82 Cb -0.17 -2.31 -0.08 0.00 -0.22 0.00 0.00 33.01 30.23 3i3l s GLN 82 CO 0.89 0.55 1.21 0.00 -0.25 0.00 0.00 175.29 177.69 3i3l n ALA 83 N 1.30 1.06 -1.46 6.09 0.00 -1.26 -4.85 120.51 121.39 3i3l n ALA 83 Ca -0.15 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 3i3l n ALA 83 Cb 0.52 -2.24 0.09 0.00 0.00 0.00 0.00 19.45 17.82 3i3l n ALA 83 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i3l s PRO 84 N -2.42 2.17 0.07 0.00 0.02 -1.26 -4.76 135.00 128.83 3i3l s PRO 84 Ca 0.66 1.92 0.05 0.00 0.02 0.00 0.00 61.00 63.64 3i3l s PRO 84 Cb -0.48 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 3i3l s PRO 84 CO 0.54 -1.85 -0.13 1.67 -0.33 0.00 0.00 177.00 176.90 3i3l s TRP 85 N -1.73 1.12 -0.05 6.54 1.48 -0.77 -1.27 118.94 124.25 3i3l s TRP 85 Ca 0.78 -0.49 0.03 0.00 -1.06 0.00 0.00 56.10 55.37 3i3l s TRP 85 Cb -0.33 -0.63 0.00 0.00 -1.16 0.00 0.00 33.47 31.35 3i3l s TRP 85 CO 0.44 0.03 -0.15 0.99 -4.06 0.00 0.00 176.95 174.21 3i3l s THR 86 N -1.43 1.28 -0.55 0.66 2.01 -0.07 -0.41 115.64 117.12 3i3l s THR 86 Ca -0.02 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 3i3l s THR 86 Cb -0.09 -1.13 0.10 0.00 0.01 0.00 0.00 72.50 71.40 3i3l s THR 86 CO 0.02 0.38 0.59 0.12 -0.69 0.00 0.00 174.62 175.04 3i3l s PHE 87 N 0.28 3.12 0.34 4.92 5.36 0.84 -4.36 117.98 128.48 3i3l s PHE 87 Ca -0.08 -1.02 -0.27 0.00 -0.96 0.00 0.00 56.93 54.59 3i3l s PHE 87 Cb -0.13 -3.80 -0.09 0.00 -0.34 0.00 0.00 43.02 38.66 3i3l s PHE 87 CO 0.03 -1.12 1.11 0.45 -1.46 0.00 0.00 175.22 174.23 3i3l s SER 88 N 3.40 6.97 0.00 6.13 0.15 -1.26 -2.10 113.70 126.99 3i3l s SER 88 Ca 0.08 2.24 0.28 0.00 0.70 0.00 0.00 55.95 59.26 3i3l s SER 88 Cb -0.26 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 62.58 3i3l s SER 88 CO 0.06 -0.35 1.79 0.49 1.20 0.00 0.00 173.24 176.43 3i3l n PHE 89 N 0.64 0.00 -1.29 3.44 3.72 -0.55 -4.96 117.46 118.45 3i3l n PHE 89 Ca 0.02 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 56.91 3i3l n PHE 89 Cb 0.46 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.91 3i3l n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3l n ALA 90 N -0.10 -2.99 -3.64 4.37 0.00 -1.25 -4.40 120.51 112.50 3i3l n ALA 90 Ca 0.19 0.50 -0.05 0.00 0.00 0.00 0.00 53.44 54.07 3i3l n ALA 90 Cb 0.32 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 3i3l n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3l s ALA 91 N 0.22 -2.14 0.00 0.00 0.00 -1.26 -4.81 121.76 113.77 3i3l s ALA 91 Ca 0.78 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.65 3i3l s ALA 91 Cb -1.09 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3i3l s ALA 91 CO 0.50 -0.23 0.00 -2.30 0.00 0.00 0.00 175.76 173.73 3i3l n PRO 92 N 2.45 1.89 0.00 0.00 -0.02 -1.26 -4.64 135.00 133.42 3i3l n PRO 92 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3i3l n PRO 92 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3i3l n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i3l n ALA 95 N -3.00 -0.43 -0.10 3.55 0.00 -1.26 -4.95 120.51 114.32 3i3l n ALA 95 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 3i3l n ALA 95 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 3i3l n ALA 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i3l h PRO 96 N 0.00 0.02 -0.02 0.00 0.11 -2.06 -2.16 132.00 127.89 3i3l h PRO 96 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i3l h PRO 96 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i3l h PRO 96 CO 0.00 0.01 -0.05 -2.67 -0.21 0.00 0.00 178.00 175.08 3i3l n TRP 97 N -4.33 0.00 -2.56 0.65 2.14 -1.26 -4.88 117.44 107.20 3i3l n TRP 97 Ca 0.15 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.29 3i3l n TRP 97 Cb 0.79 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 31.26 3i3l n TRP 97 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3i3l s VAL 98 N -2.08 4.52 0.07 -1.67 1.01 -0.81 -4.20 120.40 117.24 3i3l s VAL 98 Ca 0.33 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.17 3i3l s VAL 98 Cb 0.20 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3i3l s VAL 98 CO 0.36 -0.14 0.05 -0.36 0.00 0.00 0.00 175.10 175.01 3i3l s PHE 99 N 3.19 3.14 -1.03 5.22 0.08 -1.26 -4.97 117.98 122.36 3i3l s PHE 99 Ca 0.49 0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.69 3i3l s PHE 99 Cb -0.18 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3i3l s PHE 99 CO 0.11 0.51 0.71 -0.40 -0.10 0.00 0.00 175.22 176.05 3i3l n ASP 100 N 0.61 1.53 -3.69 1.36 5.68 -1.26 -4.70 116.55 116.08 3i3l n ASP 100 Ca -0.10 -1.26 -0.10 0.00 -0.50 0.00 0.00 54.79 52.83 3i3l n ASP 100 Cb 0.52 0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 40.64 3i3l n ASP 100 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 3i3l s HIS 101 N -0.96 0.39 0.00 2.11 -3.43 -1.26 -3.77 115.29 108.37 3i3l s HIS 101 Ca 0.09 -0.78 0.00 0.00 -0.80 0.00 0.00 55.06 53.57 3i3l s HIS 101 Cb 0.07 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 3i3l s HIS 101 CO 0.16 -1.13 0.00 0.00 -2.00 0.00 0.00 174.74 171.76 3i3l n ALA 102 N -0.45 0.00 -2.60 -1.38 0.00 -0.75 -4.00 120.51 111.33 3i3l n ALA 102 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3i3l n ALA 102 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 3i3l n ALA 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i3l s VAL 103 N 0.49 0.00 -0.02 0.00 -7.23 -1.26 -0.31 120.40 112.07 3i3l s VAL 103 Ca 0.00 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 3i3l s VAL 103 Cb 0.00 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 3i3l s VAL 103 CO 0.00 -0.00 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.56 3i3l s GLN 104 N -4.10 2.44 0.09 4.82 -1.52 -0.21 -1.79 119.66 119.39 3i3l s GLN 104 Ca 0.32 -0.75 0.01 0.00 -1.95 0.00 0.00 55.36 52.99 3i3l s GLN 104 Cb 0.04 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 3i3l s GLN 104 CO 0.11 0.60 -0.06 0.14 -0.25 0.00 0.00 175.29 175.83 3i3l s VAL 105 N -0.86 0.59 -0.39 1.09 -7.23 -0.17 -3.63 120.40 109.81 3i3l s VAL 105 Ca 0.14 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.18 3i3l s VAL 105 Cb -0.11 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3i3l s VAL 105 CO 0.04 -0.90 0.74 -0.75 -0.31 0.00 0.00 175.10 173.92 3i3l s LYS 106 N -3.85 3.61 0.37 4.82 2.20 -1.26 -4.64 119.74 120.98 3i3l s LYS 106 Ca 0.11 0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.87 3i3l s LYS 106 Cb 0.06 -3.85 0.71 0.00 -1.51 0.00 0.00 37.83 33.23 3i3l s LYS 106 CO -0.06 -0.91 1.95 0.00 -0.36 0.00 0.00 175.35 175.98 3i3l h ARG 107 N 8.64 0.54 -0.38 4.03 2.47 -1.90 -0.61 114.38 127.16 3i3l h ARG 107 Ca -0.25 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.45 3i3l h ARG 107 Cb 1.10 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 3i3l h ARG 107 CO 0.91 0.47 0.26 1.05 0.56 0.00 0.00 179.97 183.21 3i3l h GLU 108 N 0.53 0.25 0.07 0.04 4.11 -1.81 0.16 114.58 117.93 3i3l h GLU 108 Ca 0.13 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.28 3i3l h GLU 108 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3i3l h GLU 108 CO -0.01 0.16 -1.42 0.93 0.07 0.00 0.00 179.01 178.75 3i3l h GLU 109 N 0.26 0.15 -0.13 1.06 5.08 -1.47 -3.17 114.58 116.36 3i3l h GLU 109 Ca 0.17 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i3l h GLU 109 Cb 0.34 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3i3l h GLU 109 CO -0.03 1.12 0.08 0.35 -1.00 0.00 0.00 179.01 179.53 3i3l h PHE 110 N -0.51 0.16 -0.63 4.33 3.57 -1.18 -1.66 116.94 121.03 3i3l h PHE 110 Ca -0.33 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 3i3l h PHE 110 Cb 1.62 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 3i3l h PHE 110 CO 0.11 0.12 0.34 -0.44 -2.23 0.00 0.00 178.31 176.21 3i3l h ASP 111 N 0.15 0.78 0.70 0.41 5.19 -0.85 -2.58 116.42 120.22 3i3l h ASP 111 Ca 0.05 -0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.28 3i3l h ASP 111 Cb 0.01 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 3i3l h ASP 111 CO -0.01 0.64 -0.55 0.50 -3.12 0.00 0.00 179.24 176.70 3i3l h LYS 112 N 0.88 0.00 -0.26 3.56 3.64 -1.46 -2.43 116.57 120.49 3i3l h LYS 112 Ca 0.22 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3i3l h LYS 112 Cb 0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3i3l h LYS 112 CO -0.04 0.55 -0.08 1.25 -2.27 0.00 0.00 179.45 178.86 3i3l h LEU 113 N 0.00 0.53 -0.62 5.20 7.12 -0.92 -1.58 115.31 125.05 3i3l h LEU 113 Ca -0.01 -0.38 -0.00 0.00 0.13 0.00 0.00 57.88 57.63 3i3l h LEU 113 Cb 1.04 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.00 3i3l h LEU 113 CO 0.07 0.78 0.37 -0.07 -0.13 0.00 0.00 178.44 179.46 3i3l h LEU 114 N 0.27 0.74 -0.34 2.25 3.38 -1.45 -0.97 115.31 119.19 3i3l h LEU 114 Ca 0.07 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3i3l h LEU 114 Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3i3l h LEU 114 CO 0.03 0.58 -0.29 0.25 0.09 0.00 0.00 178.44 179.10 3i3l h LEU 115 N 0.84 0.84 -0.78 1.67 5.85 -1.35 -1.28 115.31 121.10 3i3l h LEU 115 Ca 0.22 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3i3l h LEU 115 Cb -0.02 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3i3l h LEU 115 CO -0.04 1.12 0.13 0.44 -0.34 0.00 0.00 178.44 179.75 3i3l h ASP 116 N 0.57 1.00 -0.59 1.25 3.32 -1.27 -1.57 116.42 119.13 3i3l h ASP 116 Ca 0.06 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 56.96 3i3l h ASP 116 Cb 0.87 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 3i3l h ASP 116 CO 0.08 0.98 0.27 -0.08 -1.72 0.00 0.00 179.24 178.77 3i3l h GLU 117 N 0.99 0.49 -0.36 3.56 4.57 -0.94 -1.80 114.58 121.09 3i3l h GLU 117 Ca 0.20 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.40 3i3l h GLU 117 Cb 0.40 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3i3l h GLU 117 CO 0.01 0.32 0.09 0.00 -1.18 0.00 0.00 179.01 178.26 3i3l h ALA 118 N 1.35 0.39 -0.27 2.92 0.00 -0.47 -2.26 119.26 120.92 3i3l h ALA 118 Ca 0.28 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.31 3i3l h ALA 118 Cb 0.25 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3i3l h ALA 118 CO -0.23 -0.31 -0.24 0.00 0.00 0.00 0.00 179.25 178.48 3i3l h ARG 119 N 0.23 -0.22 0.00 0.00 3.08 -1.05 -1.58 114.38 114.84 3i3l h ARG 119 Ca 0.17 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3i3l h ARG 119 Cb 0.17 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i3l h ARG 119 CO -0.20 -0.15 0.10 0.77 -1.07 0.00 0.00 179.97 179.42 3i3l h SER 120 N -0.23 0.00 -0.27 7.04 0.02 -0.75 0.15 113.55 119.51 3i3l h SER 120 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3i3l h SER 120 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3i3l h SER 120 CO -0.41 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 175.82 3i3l n ARG 121 N -2.69 2.33 -0.45 3.45 1.74 -0.62 -4.93 116.66 115.49 3i3l n ARG 121 Ca -0.02 -1.99 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 3i3l n ARG 121 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3i3l n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3l n GLY 122 N 1.41 0.76 3.74 -0.13 0.00 0.53 -5.04 105.19 106.45 3i3l n GLY 122 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i3l n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3l s ILE 123 N -2.34 2.68 -0.05 -0.61 1.01 -1.07 -4.98 121.20 115.84 3i3l s ILE 123 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 3i3l s ILE 123 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3i3l s ILE 123 CO 0.00 0.07 1.09 -0.89 0.00 0.00 0.00 174.94 175.21 3i3l s THR 124 N 0.31 4.54 -0.09 2.92 2.01 -1.12 -4.17 115.64 120.04 3i3l s THR 124 Ca 0.62 1.83 0.01 0.00 0.31 0.00 0.00 61.69 64.46 3i3l s THR 124 Cb -0.42 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 67.93 3i3l s THR 124 CO 0.40 0.04 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 3i3l s VAL 125 N 1.78 1.10 -0.35 3.82 1.01 -1.26 -0.80 120.40 125.70 3i3l s VAL 125 Ca 0.53 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3i3l s VAL 125 Cb -0.22 -1.05 0.08 0.00 0.00 0.00 0.00 36.38 35.19 3i3l s VAL 125 CO 0.22 0.36 0.09 -1.00 0.00 0.00 0.00 175.10 174.77 3i3l s HIS 126 N 1.07 3.44 0.74 5.22 3.76 0.17 -4.98 115.29 124.72 3i3l s HIS 126 Ca -0.07 -2.18 -0.11 0.00 -0.15 0.00 0.00 55.06 52.54 3i3l s HIS 126 Cb -0.14 -2.64 0.03 0.00 1.11 0.00 0.00 32.58 30.94 3i3l s HIS 126 CO -0.01 -0.88 1.10 -1.21 -0.85 0.00 0.00 174.74 172.89 3i3l s GLU 127 N 1.18 2.61 -1.61 1.40 2.02 -1.26 -1.24 118.70 121.80 3i3l s GLU 127 Ca 0.02 0.48 -0.14 0.00 0.02 0.00 0.00 54.97 55.35 3i3l s GLU 127 Cb -0.21 -1.99 0.11 0.00 0.10 0.00 0.00 34.13 32.14 3i3l s GLU 127 CO -0.03 -1.22 0.75 0.39 0.02 0.00 0.00 175.26 175.17 3i3l n GLU 128 N -3.13 -3.66 -3.42 1.61 1.02 -0.05 -4.85 120.64 108.15 3i3l n GLU 128 Ca 0.07 0.42 -0.27 0.00 -0.02 0.00 0.00 57.16 57.36 3i3l n GLU 128 Cb 0.57 -5.06 -0.10 0.00 -0.02 0.00 0.00 31.44 26.83 3i3l n GLU 128 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3l s THR 129 N -3.43 0.42 0.42 2.62 2.01 -0.18 -4.82 115.64 112.68 3i3l s THR 129 Ca 0.57 -2.62 -0.25 0.00 0.31 0.00 0.00 61.69 59.70 3i3l s THR 129 Cb -0.31 -1.30 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 3i3l s THR 129 CO 0.90 -1.20 1.22 -2.16 -0.69 0.00 0.00 174.62 172.69 3i3l s PRO 130 N 0.10 3.90 -0.33 4.92 0.04 -1.26 -3.77 135.00 138.61 3i3l s PRO 130 Ca 0.31 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 63.09 3i3l s PRO 130 Cb 0.01 -2.62 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 3i3l s PRO 130 CO -0.18 -0.48 0.68 0.08 0.04 0.00 0.00 177.00 177.14 3i3l s VAL 131 N -1.38 4.86 -0.13 -0.36 1.01 -1.26 -1.87 120.40 121.27 3i3l s VAL 131 Ca 0.59 0.81 0.22 0.00 0.00 0.00 0.00 61.98 63.60 3i3l s VAL 131 Cb -0.33 -4.09 -0.26 0.00 0.00 0.00 0.00 36.38 31.70 3i3l s VAL 131 CO 0.42 -0.27 0.62 0.41 0.00 0.00 0.00 175.10 176.28 3i3l n THR 132 N 5.55 0.12 -3.54 3.92 -1.04 0.19 -4.94 114.28 114.54 3i3l n THR 132 Ca 0.00 -0.48 -0.15 0.00 -2.04 0.00 0.00 64.05 61.38 3i3l n THR 132 Cb 0.49 -0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.92 3i3l n THR 132 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3i3l s ASP 133 N -4.59 -0.57 -0.11 8.00 2.15 -0.86 -4.93 116.67 115.76 3i3l s ASP 133 Ca -0.06 0.65 -0.02 0.00 0.43 0.00 0.00 52.55 53.55 3i3l s ASP 133 Cb 0.13 0.50 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 3i3l s ASP 133 CO 0.88 -0.50 0.04 -0.69 -0.17 0.00 0.00 175.17 174.73 3i3l s VAL 134 N -1.08 0.21 -0.13 1.11 1.01 -1.26 -0.01 120.40 120.25 3i3l s VAL 134 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3i3l s VAL 134 Cb -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 3i3l s VAL 134 CO 0.07 0.04 -0.14 -0.62 0.00 0.00 0.00 175.10 174.45 3i3l s ASP 135 N 2.02 3.92 0.00 3.32 -1.08 -0.16 -4.95 116.67 119.74 3i3l s ASP 135 Ca 0.03 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 3i3l s ASP 135 Cb -0.14 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.73 3i3l s ASP 135 CO -0.06 0.17 0.45 0.18 0.52 0.00 0.00 175.17 176.42 3i3l n LEU 136 N 3.52 0.86 0.28 -1.34 4.77 -1.26 -1.51 117.00 122.31 3i3l n LEU 136 Ca -0.18 -0.86 0.18 0.00 -0.03 0.00 0.00 56.01 55.12 3i3l n LEU 136 Cb 0.53 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.38 3i3l n LEU 136 CO 0.30 0.21 1.02 0.77 -1.33 0.00 0.00 177.39 178.36 3i3l h SER 137 N 0.00 0.00 -3.55 -1.43 4.64 -1.92 -3.37 113.55 107.91 3i3l h SER 137 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3i3l h SER 137 Cb 0.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.16 3i3l h SER 137 CO 0.00 0.00 0.30 -0.62 -0.87 0.00 0.00 176.83 175.64 3i3l s ASP 138 N -5.49 6.49 0.55 4.97 -1.08 -1.26 -4.93 116.67 115.91 3i3l s ASP 138 Ca 0.00 0.21 0.36 0.00 -0.52 0.00 0.00 52.55 52.61 3i3l s ASP 138 Cb 0.10 -2.37 1.75 0.00 -1.46 0.00 0.00 42.92 40.94 3i3l s ASP 138 CO 0.51 -0.72 2.09 1.55 0.52 0.00 0.00 175.17 179.12 3i3l h PRO 139 N 8.55 0.00 -0.00 4.34 0.13 -2.00 -2.74 132.00 140.28 3i3l h PRO 139 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3i3l h PRO 139 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i3l h PRO 139 CO 0.90 0.00 -0.25 -0.25 -0.23 0.00 0.00 178.00 178.16 3i3l n ASP 140 N -2.92 0.59 -3.58 1.44 8.00 -1.26 -4.94 116.55 113.89 3i3l n ASP 140 Ca -0.01 -0.46 -0.08 0.00 0.71 0.00 0.00 54.79 54.96 3i3l n ASP 140 Cb 0.17 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.30 3i3l n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3l s ARG 141 N -2.69 1.91 -0.06 -1.24 1.70 -1.04 -4.92 118.95 112.62 3i3l s ARG 141 Ca 0.21 -1.16 0.04 0.00 -0.47 0.00 0.00 55.73 54.35 3i3l s ARG 141 Cb 0.19 0.60 -0.02 0.00 -0.57 0.00 0.00 34.95 35.15 3i3l s ARG 141 CO 0.56 -0.88 -0.19 0.08 -1.08 0.00 0.00 175.30 173.79 3i3l s VAL 142 N -3.43 2.59 -0.19 4.99 1.01 0.05 -4.57 120.40 120.85 3i3l s VAL 142 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3i3l s VAL 142 Cb -0.05 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3i3l s VAL 142 CO 0.09 0.57 -0.17 -0.69 0.00 0.00 0.00 175.10 174.90 3i3l s VAL 143 N -0.33 2.28 -0.09 2.92 1.01 -0.57 -1.21 120.40 124.41 3i3l s VAL 143 Ca 0.02 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 3i3l s VAL 143 Cb -0.13 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3i3l s VAL 143 CO 0.02 0.48 0.15 -0.76 0.00 0.00 0.00 175.10 174.99 3i3l s LEU 144 N 1.31 4.38 -0.15 3.92 1.02 0.46 -0.99 118.68 128.62 3i3l s LEU 144 Ca 0.04 0.44 -0.07 0.00 0.02 0.00 0.00 54.13 54.56 3i3l s LEU 144 Cb -0.14 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 3i3l s LEU 144 CO -0.11 0.37 0.08 -0.89 0.02 0.00 0.00 176.35 175.82 3i3l s THR 145 N -1.10 4.97 -0.01 5.49 2.01 0.98 -0.98 115.64 127.00 3i3l s THR 145 Ca 0.18 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.24 3i3l s THR 145 Cb -0.12 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3i3l s THR 145 CO 0.08 0.52 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.70 3i3l s VAL 146 N -0.16 1.05 -0.52 3.82 1.01 0.11 0.54 120.40 126.25 3i3l s VAL 146 Ca 0.08 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 3i3l s VAL 146 Cb -0.12 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.45 3i3l s VAL 146 CO 0.01 0.27 0.58 -0.13 0.00 0.00 0.00 175.10 175.83 3i3l s ARG 147 N -0.39 3.06 -0.30 2.72 0.52 -0.78 0.66 118.95 124.45 3i3l s ARG 147 Ca 0.05 -1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 54.08 3i3l s ARG 147 Cb -0.05 -4.16 0.04 0.00 0.52 0.00 0.00 34.95 31.30 3i3l s ARG 147 CO -0.00 -1.26 0.02 0.50 0.02 0.00 0.00 175.30 174.58 3i3l s ARG 148 N 2.36 2.67 7.88 3.54 3.52 -0.03 -4.13 118.95 134.75 3i3l s ARG 148 Ca 0.11 -1.12 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 3i3l s ARG 148 Cb -0.22 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3i3l s ARG 148 CO 0.09 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.44 3i3l n GLY 149 N 4.71 2.90 0.20 8.12 0.00 -1.26 -2.34 105.19 117.52 3i3l n GLY 149 Ca -0.14 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.64 3i3l n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 150 N 0.00 0.62 3.77 -0.02 0.00 -1.26 -5.02 105.19 103.28 3i3l n GLY 150 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3i3l n GLY 150 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3l s GLU 151 N -0.63 4.19 0.05 1.61 2.02 -0.99 -5.06 118.70 119.90 3i3l s GLU 151 Ca 0.07 0.50 -0.31 0.00 0.02 0.00 0.00 54.97 55.25 3i3l s GLU 151 Cb 0.04 -3.34 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 3i3l s GLU 151 CO 0.06 0.40 1.57 -1.12 0.02 0.00 0.00 175.26 176.19 3i3l s SER 152 N -0.20 6.68 0.11 -0.19 0.01 -1.26 -0.85 113.70 118.00 3i3l s SER 152 Ca 0.26 2.38 0.10 0.00 1.31 0.00 0.00 55.95 60.00 3i3l s SER 152 Cb -0.16 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3i3l s SER 152 CO 0.13 -0.83 -0.26 -0.69 0.41 0.00 0.00 173.24 172.00 3i3l s VAL 153 N 2.47 2.14 -0.09 3.43 1.01 0.21 -4.93 120.40 124.64 3i3l s VAL 153 Ca 0.71 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3i3l s VAL 153 Cb -0.37 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3i3l s VAL 153 CO 0.30 0.12 -0.10 -0.89 0.00 0.00 0.00 175.10 174.54 3i3l s THR 154 N -1.02 3.42 -0.00 3.92 2.01 -1.26 0.06 115.64 122.77 3i3l s THR 154 Ca 0.12 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.55 3i3l s THR 154 Cb -0.10 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.01 3i3l s THR 154 CO 0.05 0.57 0.00 -0.69 -0.69 0.00 0.00 174.62 173.86 3i3l s VAL 155 N -0.41 0.02 0.15 3.82 1.01 -0.15 -4.98 120.40 119.86 3i3l s VAL 155 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3i3l s VAL 155 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3i3l s VAL 155 CO 0.02 0.03 0.07 -1.83 0.00 0.00 0.00 175.10 173.39 3i3l s GLU 156 N 0.20 2.70 0.20 2.72 -1.05 -1.26 -0.41 118.70 121.81 3i3l s GLU 156 Ca -0.02 -0.93 -0.17 0.00 -0.15 0.00 0.00 54.97 53.70 3i3l s GLU 156 Cb -0.03 -2.55 0.02 0.00 -0.44 0.00 0.00 34.13 31.14 3i3l s GLU 156 CO -0.01 0.49 0.53 -1.54 0.95 0.00 0.00 175.26 175.68 3i3l s SER 157 N -2.92 -0.24 0.08 0.83 1.04 -0.35 -4.98 113.70 107.16 3i3l s SER 157 Ca 0.29 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 56.05 3i3l s SER 157 Cb -0.10 0.59 -0.17 0.00 0.10 0.00 0.00 66.02 66.43 3i3l s SER 157 CO 0.21 -1.08 1.26 0.44 0.98 0.00 0.00 173.24 175.06 3i3l h ASP 158 N 2.19 0.83 -4.25 7.02 3.32 -1.37 0.18 116.42 124.34 3i3l h ASP 158 Ca -0.28 -0.64 -0.30 0.00 0.02 0.00 0.00 57.03 55.82 3i3l h ASP 158 Cb 1.26 -0.25 -0.16 0.00 0.22 0.00 0.00 39.33 40.41 3i3l h ASP 158 CO 0.36 1.34 -0.72 -0.36 -1.72 0.00 0.00 179.24 178.15 3i3l s PHE 159 N -3.68 1.11 -0.02 4.55 0.08 -0.99 -4.52 117.98 114.52 3i3l s PHE 159 Ca -0.11 -0.76 0.04 0.00 0.12 0.00 0.00 56.93 56.23 3i3l s PHE 159 Cb 0.07 -0.59 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 3i3l s PHE 159 CO 0.88 0.00 -0.15 0.54 -0.10 0.00 0.00 175.22 176.39 3i3l s VAL 160 N -3.08 1.19 -0.20 -0.44 0.11 -0.26 -1.70 120.40 116.03 3i3l s VAL 160 Ca 0.12 -0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 58.49 3i3l s VAL 160 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 3i3l s VAL 160 CO -0.01 0.34 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.43 3i3l s ILE 161 N -0.29 3.51 -0.49 7.04 1.01 -0.05 -2.00 121.20 129.93 3i3l s ILE 161 Ca 0.04 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 3i3l s ILE 161 Cb -0.06 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.86 3i3l s ILE 161 CO -0.00 0.44 0.89 -0.62 0.00 0.00 0.00 174.94 175.65 3i3l s ASP 162 N 1.20 6.42 -0.23 3.58 -1.08 0.26 -0.97 116.67 125.85 3i3l s ASP 162 Ca 0.03 -0.11 0.11 0.00 -0.52 0.00 0.00 52.55 52.06 3i3l s ASP 162 Cb -0.14 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 39.33 3i3l s ASP 162 CO -0.01 -1.08 1.20 0.00 0.52 0.00 0.00 175.17 175.80 3i3l n ALA 163 N 7.15 4.07 1.82 3.66 0.00 0.78 -1.36 120.51 136.63 3i3l n ALA 163 Ca 0.04 -3.41 0.01 0.00 0.00 0.00 0.00 53.44 50.08 3i3l n ALA 163 Cb 0.48 -0.40 0.02 0.00 0.00 0.00 0.00 19.45 19.55 3i3l n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3l n GLY 164 N -0.81 -0.69 6.28 0.00 0.00 -0.65 -4.32 105.19 104.99 3i3l n GLY 164 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.26 3i3l n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 165 N 0.54 -1.78 0.43 -0.02 0.00 -1.26 -2.75 105.19 100.35 3i3l n GLY 165 Ca 0.01 -1.31 0.24 0.00 0.00 0.00 0.00 46.02 44.97 3i3l n GLY 165 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i3l h SER 166 N -0.05 0.24 -0.31 1.61 0.02 -1.94 0.84 113.55 113.96 3i3l h SER 166 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3i3l h SER 166 Cb 0.05 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3i3l h SER 166 CO 0.00 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 3i3l n GLY 167 N -1.60 1.93 3.76 -3.77 0.00 -1.25 -4.90 105.19 99.36 3i3l n GLY 167 Ca 0.21 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3i3l n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i3l s GLY 168 N -0.52 2.91 0.33 -0.02 0.00 0.28 -4.93 107.32 105.36 3i3l s GLY 168 Ca 0.27 1.42 0.17 0.00 0.00 0.00 0.00 44.72 46.58 3i3l s GLY 168 CO 0.10 1.98 1.54 -0.56 0.00 0.00 0.00 173.10 176.16 3i3l h PRO 169 N 1.80 0.00 -0.03 2.90 0.13 -1.90 -3.37 132.00 131.54 3i3l h PRO 169 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3i3l h PRO 169 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3i3l h PRO 169 CO 0.59 0.41 -0.05 0.82 -0.23 0.00 0.00 178.00 179.53 3i3l h ILE 170 N 0.00 1.42 -0.02 -3.56 2.04 -1.95 0.46 117.51 115.91 3i3l h ILE 170 Ca -0.00 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 3i3l h ILE 170 Cb 1.21 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.53 3i3l h ILE 170 CO 0.05 0.35 -0.07 0.77 0.00 0.00 0.00 178.15 179.26 3i3l h SER 171 N -0.43 0.03 0.03 1.72 4.64 -1.83 0.17 113.55 117.88 3i3l h SER 171 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i3l h SER 171 Cb 0.60 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3i3l h SER 171 CO 0.01 0.10 -0.02 -0.09 -0.87 0.00 0.00 176.83 175.97 3i3l h ARG 172 N 0.03 -0.04 -0.66 4.77 1.12 -1.68 -0.81 114.38 117.11 3i3l h ARG 172 Ca 0.01 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 59.01 3i3l h ARG 172 Cb 0.14 0.01 -0.13 0.00 -0.01 0.00 0.00 29.97 29.99 3i3l h ARG 172 CO 0.01 0.63 -0.20 -0.22 -3.11 0.00 0.00 179.97 177.08 3i3l h LYS 173 N -0.81 -0.03 0.00 0.20 3.64 -0.50 -1.61 116.57 117.45 3i3l h LYS 173 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i3l h LYS 173 Cb 0.70 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3i3l h LYS 173 CO 0.01 -0.02 0.00 -0.07 -2.27 0.00 0.00 179.45 177.10 3i3l h LEU 174 N -0.03 0.00 0.13 5.20 3.38 -0.99 -3.47 115.31 119.53 3i3l h LEU 174 Ca 0.31 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.90 3i3l h LEU 174 Cb 0.51 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.35 3i3l h LEU 174 CO -0.69 0.00 -0.60 0.61 0.09 0.00 0.00 178.44 177.85 3i3l n GLY 175 N 1.16 -0.44 0.72 0.83 0.00 -0.33 -4.90 105.19 102.22 3i3l n GLY 175 Ca 0.05 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3i3l n GLY 175 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i3l n VAL 176 N -4.62 0.14 -2.07 1.61 0.24 -1.06 -4.97 118.33 107.60 3i3l n VAL 176 Ca -0.06 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 3i3l n VAL 176 Cb 0.59 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.16 3i3l n VAL 176 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i3l s ARG 177 N -1.35 4.27 -0.46 7.34 3.52 -1.25 -0.78 118.95 130.24 3i3l s ARG 177 Ca 0.22 2.19 0.02 0.00 -0.13 0.00 0.00 55.73 58.03 3i3l s ARG 177 Cb 0.15 -3.24 0.12 0.00 -1.56 0.00 0.00 34.95 30.42 3i3l s ARG 177 CO 0.21 -0.52 0.22 -0.65 -0.81 0.00 0.00 175.30 173.75 3i3l s GLN 178 N 1.25 1.93 0.50 5.12 -0.21 0.02 -4.94 119.66 123.33 3i3l s GLN 178 Ca 0.67 -2.24 -0.24 0.00 0.02 0.00 0.00 55.36 53.57 3i3l s GLN 178 Cb -0.39 -3.40 -0.07 0.00 1.00 0.00 0.00 33.01 30.15 3i3l s GLN 178 CO 0.31 -1.06 1.40 0.66 -2.12 0.00 0.00 175.29 174.47 3i3l n TYR 179 N 3.78 2.50 -2.22 0.91 4.01 -1.26 -1.83 117.16 123.05 3i3l n TYR 179 Ca 0.04 0.44 -0.41 0.00 -0.16 0.00 0.00 57.90 57.81 3i3l n TYR 179 Cb 0.38 -2.41 -0.03 0.00 -0.31 0.00 0.00 39.34 36.97 3i3l n TYR 179 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i3l s ASP 180 N -0.68 6.92 0.34 7.72 2.15 -0.24 -4.90 116.67 127.97 3i3l s ASP 180 Ca 0.66 2.53 0.05 0.00 0.43 0.00 0.00 52.55 56.23 3i3l s ASP 180 Cb -0.43 -2.64 0.71 0.00 -0.30 0.00 0.00 42.92 40.26 3i3l s ASP 180 CO 0.53 -0.44 1.92 -0.08 -0.17 0.00 0.00 175.17 176.93 3i3l h GLU 181 N 3.92 0.79 0.00 4.34 4.81 -1.92 -3.38 114.58 123.13 3i3l h GLU 181 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3i3l h GLU 181 Cb 1.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3i3l h GLU 181 CO 0.68 0.52 -0.84 1.19 -0.73 0.00 0.00 179.01 179.83 3i3l n PHE 182 N -4.51 0.00 -2.51 0.92 3.72 -1.26 -4.88 117.46 108.94 3i3l n PHE 182 Ca 0.14 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.11 3i3l n PHE 182 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3i3l n PHE 182 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3i3l n TYR 183 N -1.50 3.88 -3.76 1.38 4.02 -1.26 -4.74 117.16 115.17 3i3l n TYR 183 Ca 0.00 -3.01 -0.32 0.00 -0.01 0.00 0.00 57.90 54.56 3i3l n TYR 183 Cb 0.20 -2.16 -0.09 0.00 -0.02 0.00 0.00 39.34 37.27 3i3l n TYR 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3i3l n ARG 184 N 5.14 2.25 -3.04 -0.72 1.74 -1.26 -1.50 116.66 119.27 3i3l n ARG 184 Ca 0.41 -4.50 -0.34 0.00 -0.77 0.00 0.00 57.85 52.66 3i3l n ARG 184 Cb 0.40 -2.35 -0.06 0.00 -1.02 0.00 0.00 32.46 29.43 3i3l n ARG 184 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3i3l s ASN 185 N -0.91 6.91 -0.03 0.55 0.01 -1.24 -1.51 114.94 118.72 3i3l s ASN 185 Ca 0.27 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 3i3l s ASN 185 Cb -0.05 -2.43 0.03 0.00 0.41 0.00 0.00 41.25 39.21 3i3l s ASN 185 CO -0.15 -0.18 -0.00 0.12 -1.51 0.00 0.00 177.10 175.38 3i3l s PHE 186 N -1.90 0.39 0.11 2.20 5.36 -0.11 -0.16 117.98 123.85 3i3l s PHE 186 Ca 0.53 -0.03 0.10 0.00 -0.96 0.00 0.00 56.93 56.57 3i3l s PHE 186 Cb -0.12 -0.47 -0.04 0.00 -0.34 0.00 0.00 43.02 42.05 3i3l s PHE 186 CO 0.18 -0.15 -0.23 0.00 -1.46 0.00 0.00 175.22 173.55 3i3l s ALA 187 N 1.12 2.49 -0.12 11.12 0.00 0.28 -1.32 121.76 135.34 3i3l s ALA 187 Ca -0.08 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.46 3i3l s ALA 187 Cb -0.13 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.52 3i3l s ALA 187 CO -0.02 0.56 0.21 0.08 0.00 0.00 0.00 175.76 176.59 3i3l s VAL 188 N -1.05 -0.33 0.14 0.00 1.01 -0.74 -1.15 120.40 118.28 3i3l s VAL 188 Ca 0.15 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 3i3l s VAL 188 Cb -0.10 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.88 3i3l s VAL 188 CO 0.07 0.10 0.31 -1.66 0.00 0.00 0.00 175.10 173.92 3i3l s TRP 189 N 2.35 0.17 0.13 5.22 -2.14 -0.78 0.07 118.94 123.96 3i3l s TRP 189 Ca 0.03 -0.54 -0.05 0.00 2.66 0.00 0.00 56.10 58.20 3i3l s TRP 189 Cb -0.12 0.06 0.02 0.00 -3.10 0.00 0.00 33.47 30.32 3i3l s TRP 189 CO -0.08 -0.70 0.27 0.45 -2.66 0.00 0.00 176.95 174.23 3i3l n SER 190 N -0.20 -0.78 -4.31 -2.66 2.88 -0.70 -1.44 113.62 106.42 3i3l n SER 190 Ca -0.11 -1.55 -0.24 0.00 -1.33 0.00 0.00 58.87 55.64 3i3l n SER 190 Cb 0.63 1.29 -0.12 0.00 -0.75 0.00 0.00 64.21 65.26 3i3l n SER 190 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3i3l s TYR 191 N -6.56 1.88 0.05 0.66 2.02 -1.26 -0.95 117.35 113.19 3i3l s TYR 191 Ca 0.06 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3i3l s TYR 191 Cb -0.02 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3i3l s TYR 191 CO 0.04 0.25 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.07 3i3l s PHE 192 N -1.29 1.20 -0.38 2.71 0.08 -0.59 -0.48 117.98 119.23 3i3l s PHE 192 Ca 0.09 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 56.53 3i3l s PHE 192 Cb -0.09 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.66 3i3l s PHE 192 CO 0.05 0.04 0.79 0.21 -0.10 0.00 0.00 175.22 176.20 3i3l s LYS 193 N -1.26 3.71 -0.28 0.44 2.20 0.18 -1.57 119.74 123.15 3i3l s LYS 193 Ca 0.01 0.26 -0.24 0.00 -0.36 0.00 0.00 55.97 55.63 3i3l s LYS 193 Cb -0.08 -3.83 0.11 0.00 -1.51 0.00 0.00 37.83 32.52 3i3l s LYS 193 CO 0.01 -0.89 0.94 -1.17 -0.36 0.00 0.00 175.35 173.89 3i3l s LEU 194 N 3.14 -0.54 -0.11 5.43 2.96 0.56 -3.37 118.68 126.75 3i3l s LEU 194 Ca 0.31 1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 55.15 3i3l s LEU 194 Cb -0.13 2.03 -0.05 0.00 0.50 0.00 0.00 46.19 48.55 3i3l s LEU 194 CO 0.18 -0.18 0.23 -0.75 -1.32 0.00 0.00 176.35 174.51 3i3l s LYS 195 N 0.35 3.77 -0.30 1.98 2.47 -1.26 -3.16 119.74 123.59 3i3l s LYS 195 Ca 0.02 0.02 -0.42 0.00 -1.56 0.00 0.00 55.97 54.03 3i3l s LYS 195 Cb -0.05 -3.26 -0.17 0.00 -1.46 0.00 0.00 37.83 32.89 3i3l s LYS 195 CO -0.05 0.62 1.63 -3.47 0.16 0.00 0.00 175.35 174.23 3i3l n ASP 196 N 2.37 1.83 -0.01 1.43 -0.08 -1.24 -4.77 116.55 116.08 3i3l n ASP 196 Ca -0.17 1.12 0.12 0.00 -1.51 0.00 0.00 54.79 54.35 3i3l n ASP 196 Cb 0.54 -1.05 0.70 0.00 2.34 0.00 0.00 41.12 43.64 3i3l n ASP 196 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i3l n PRO 197 N 4.49 1.01 -5.22 -0.67 -0.04 -1.26 -4.80 135.00 128.51 3i3l n PRO 197 Ca 0.27 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 3i3l n PRO 197 Cb 0.07 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.01 3i3l n PRO 197 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3l s PHE 198 N -2.00 2.44 -0.11 0.54 0.08 -1.26 -4.97 117.98 112.69 3i3l s PHE 198 Ca 0.36 -0.52 0.19 0.00 0.12 0.00 0.00 56.93 57.07 3i3l s PHE 198 Cb 0.16 -1.57 -0.27 0.00 -0.57 0.00 0.00 43.02 40.77 3i3l s PHE 198 CO 0.27 -0.09 0.25 0.39 -0.10 0.00 0.00 175.22 175.95 3i3l n GLU 199 N 2.66 0.76 0.00 0.44 1.02 -1.26 -4.26 120.64 120.00 3i3l n GLU 199 Ca -0.17 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 3i3l n GLU 199 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3i3l n GLU 199 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i3l n GLY 200 N 1.59 1.07 0.33 0.62 0.00 -1.26 -4.73 105.19 102.82 3i3l n GLY 200 Ca -0.18 -1.52 0.19 0.00 0.00 0.00 0.00 46.02 44.51 3i3l n GLY 200 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i3l h ASP 201 N 0.00 0.00 0.63 1.61 3.32 -1.90 -2.58 116.42 117.50 3i3l h ASP 201 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i3l h ASP 201 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i3l h ASP 201 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3i3l n LEU 202 N -3.36 0.66 -4.72 1.55 4.77 -1.26 -4.84 117.00 109.80 3i3l n LEU 202 Ca -0.02 0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 56.22 3i3l n LEU 202 Cb 0.16 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 3i3l n LEU 202 CO 0.22 -0.62 1.13 -0.75 -1.33 0.00 0.00 177.39 176.05 3i3l s LYS 203 N -3.35 4.27 0.00 3.23 2.36 -0.98 -1.74 119.74 123.53 3i3l s LYS 203 Ca 0.03 2.20 0.00 0.00 -2.55 0.00 0.00 55.97 55.66 3i3l s LYS 203 Cb 0.09 -3.20 0.00 0.00 -1.05 0.00 0.00 37.83 33.66 3i3l s LYS 203 CO 0.37 -0.51 0.00 0.41 1.55 0.00 0.00 175.35 177.17 3i3l n GLY 204 N 3.57 0.82 3.80 5.54 0.00 -1.26 -4.42 105.19 113.24 3i3l n GLY 204 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3i3l n GLY 204 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i3l s THR 205 N -3.25 3.76 -0.21 2.61 -1.32 -0.71 -4.33 115.64 112.20 3i3l s THR 205 Ca 0.00 1.11 -0.24 0.00 -1.21 0.00 0.00 61.69 61.35 3i3l s THR 205 Cb 0.00 -3.45 -0.01 0.00 -1.51 0.00 0.00 72.50 67.52 3i3l s THR 205 CO 0.00 -0.23 0.79 -0.89 -2.21 0.00 0.00 174.62 172.08 3i3l s THR 206 N -1.96 4.89 -0.18 5.08 2.01 -1.16 -4.66 115.64 119.66 3i3l s THR 206 Ca 0.67 1.50 -0.13 0.00 0.31 0.00 0.00 61.69 64.04 3i3l s THR 206 Cb -0.17 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3i3l s THR 206 CO 0.20 -0.00 0.26 -0.31 -0.69 0.00 0.00 174.62 174.08 3i3l s TYR 207 N 2.42 3.43 -0.10 4.92 2.02 -0.78 0.02 117.35 129.28 3i3l s TYR 207 Ca 0.35 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.59 3i3l s TYR 207 Cb -0.16 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 3i3l s TYR 207 CO 0.10 0.21 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.95 3i3l s SER 208 N 0.56 2.83 -0.07 2.29 0.01 -0.39 -1.23 113.70 117.71 3i3l s SER 208 Ca 0.14 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 3i3l s SER 208 Cb -0.13 -1.30 0.04 0.00 0.21 0.00 0.00 66.02 64.84 3i3l s SER 208 CO 0.03 0.11 0.06 -0.63 0.41 0.00 0.00 173.24 173.22 3i3l s ILE 209 N 0.54 -0.05 0.36 1.44 1.01 -0.16 -0.24 121.20 124.11 3i3l s ILE 209 Ca -0.15 0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.52 3i3l s ILE 209 Cb -0.17 -0.29 -0.10 0.00 0.01 0.00 0.00 42.46 41.92 3i3l s ILE 209 CO 0.05 0.09 0.98 0.42 0.00 0.00 0.00 174.94 176.48 3i3l s THR 210 N 2.14 4.06 0.06 2.92 -4.23 -0.77 0.73 115.64 120.54 3i3l s THR 210 Ca 0.04 1.60 0.01 0.00 -1.18 0.00 0.00 61.69 62.16 3i3l s THR 210 Cb -0.13 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 69.87 3i3l s THR 210 CO -0.04 0.03 0.06 2.22 -0.54 0.00 0.00 174.62 176.35 3i3l n PHE 211 N 0.17 -0.33 -0.24 3.99 1.16 -0.11 -4.83 117.46 117.28 3i3l n PHE 211 Ca 0.04 -0.44 0.02 0.00 -1.87 0.00 0.00 57.45 55.20 3i3l n PHE 211 Cb 0.50 0.07 0.14 0.00 -1.61 0.00 0.00 39.48 38.59 3i3l n PHE 211 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3i3l h GLU 212 N 0.00 0.48 -0.47 3.97 4.81 -1.98 -2.76 114.58 118.63 3i3l h GLU 212 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i3l h GLU 212 Cb 0.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3i3l h GLU 212 CO 0.06 0.31 0.00 -0.25 -0.73 0.00 0.00 179.01 178.40 3i3l n ASP 213 N -4.95 4.39 0.00 1.04 8.00 -1.26 -4.63 116.55 119.14 3i3l n ASP 213 Ca 0.11 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.97 3i3l n ASP 213 Cb 0.32 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3i3l n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3l n GLY 214 N 0.43 0.42 3.10 0.44 0.00 -1.04 -4.13 105.19 104.41 3i3l n GLY 214 Ca 0.23 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 3i3l n GLY 214 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3i3l s TRP 215 N -3.90 0.63 -0.11 1.61 1.48 -0.74 -0.93 118.94 116.97 3i3l s TRP 215 Ca 0.00 -0.90 0.00 0.00 -1.06 0.00 0.00 56.10 54.14 3i3l s TRP 215 Cb 0.00 -0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 31.88 3i3l s TRP 215 CO 0.00 -0.25 -0.12 0.08 -4.06 0.00 0.00 176.95 172.60 3i3l s VAL 216 N -3.29 3.19 -0.02 -0.66 1.01 0.22 -0.28 120.40 120.57 3i3l s VAL 216 Ca 0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3i3l s VAL 216 Cb 0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3i3l s VAL 216 CO -0.06 0.54 0.21 -1.66 0.00 0.00 0.00 175.10 174.13 3i3l s TRP 217 N 0.02 3.57 -0.19 5.22 -2.14 0.43 -0.99 118.94 124.87 3i3l s TRP 217 Ca -0.03 0.48 -0.02 0.00 2.66 0.00 0.00 56.10 59.19 3i3l s TRP 217 Cb -0.14 -1.92 0.06 0.00 -3.10 0.00 0.00 33.47 28.36 3i3l s TRP 217 CO 0.04 0.65 0.01 -1.64 -2.66 0.00 0.00 176.95 173.35 3i3l s MET 218 N -1.71 0.86 -0.17 3.25 1.00 -0.36 -1.29 119.30 120.88 3i3l s MET 218 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 55.69 55.49 3i3l s MET 218 Cb -0.13 -2.07 0.01 0.00 0.00 0.00 0.00 34.83 32.65 3i3l s MET 218 CO 0.15 -0.58 -0.19 0.42 0.00 0.00 0.00 175.02 174.81 3i3l s ILE 219 N 1.78 2.17 -0.45 2.53 -1.09 0.48 -1.87 121.20 124.76 3i3l s ILE 219 Ca -0.01 -0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 57.20 3i3l s ILE 219 Cb -0.17 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.84 3i3l s ILE 219 CO -0.07 0.54 1.18 -2.16 -1.23 0.00 0.00 174.94 173.19 3i3l s PRO 220 N 1.11 3.73 0.00 2.79 0.04 -1.26 -0.01 135.00 141.40 3i3l s PRO 220 Ca 0.00 0.68 0.22 0.00 0.04 0.00 0.00 61.00 61.95 3i3l s PRO 220 Cb -0.14 -3.91 -0.00 0.00 0.04 0.00 0.00 34.50 30.49 3i3l s PRO 220 CO -0.08 -1.37 1.08 0.44 0.04 0.00 0.00 177.00 177.11 3i3l n ILE 221 N 6.79 0.00 -3.89 0.56 -5.35 -0.11 -4.72 119.36 112.64 3i3l n ILE 221 Ca 0.13 -0.28 -0.08 0.00 -0.27 0.00 0.00 62.75 62.25 3i3l n ILE 221 Cb 0.49 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.63 3i3l n ILE 221 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3i3l n LYS 222 N 0.05 0.35 -0.14 6.28 5.02 -1.07 -4.61 118.16 124.04 3i3l n LYS 222 Ca 0.09 -1.55 -0.03 0.00 -2.02 0.00 0.00 58.31 54.80 3i3l n LYS 222 Cb 0.47 1.45 0.05 0.00 -0.02 0.00 0.00 35.03 36.97 3i3l n LYS 222 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3i3l h ASP 223 N 1.06 -0.14 0.00 4.39 3.58 -1.93 -3.27 116.42 120.10 3i3l h ASP 223 Ca -0.14 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 3i3l h ASP 223 Cb 0.64 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 3i3l h ASP 223 CO 0.19 -0.04 -0.39 -0.90 -2.88 0.00 0.00 179.24 175.22 3i3l n ASP 224 N -5.19 1.66 -4.01 2.28 5.75 -1.26 -3.71 116.55 112.07 3i3l n ASP 224 Ca 0.04 -3.17 -0.29 0.00 -0.01 0.00 0.00 54.79 51.36 3i3l n ASP 224 Cb 0.24 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 39.73 3i3l n ASP 224 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3i3l s LEU 225 N -2.35 1.59 -0.10 -2.12 0.20 -1.19 -0.32 118.68 114.38 3i3l s LEU 225 Ca 0.31 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.75 3i3l s LEU 225 Cb 0.30 -1.06 -0.00 0.00 -0.43 0.00 0.00 46.19 45.00 3i3l s LEU 225 CO -0.04 -0.04 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.44 3i3l s TYR 226 N 1.34 2.59 -0.13 5.38 1.51 -0.61 -0.94 117.35 126.49 3i3l s TYR 226 Ca 0.00 -0.94 -0.25 0.00 -1.01 0.00 0.00 57.07 54.87 3i3l s TYR 226 Cb -0.14 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3i3l s TYR 226 CO -0.07 -0.36 0.81 0.45 -1.11 0.00 0.00 175.55 175.28 3i3l s SER 227 N 0.28 7.00 -0.20 2.29 0.15 0.99 -1.54 113.70 122.67 3i3l s SER 227 Ca -0.16 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.72 3i3l s SER 227 Cb -0.17 -2.45 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 3i3l s SER 227 CO 0.08 -0.31 -0.06 -0.69 1.20 0.00 0.00 173.24 173.46 3i3l s VAL 228 N 1.70 1.32 0.07 4.45 1.01 -0.12 -0.39 120.40 128.45 3i3l s VAL 228 Ca 0.39 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3i3l s VAL 228 Cb -0.17 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3i3l s VAL 228 CO 0.15 0.04 -0.19 -0.83 0.00 0.00 0.00 175.10 174.27 3i3l s GLY 229 N 1.52 1.11 -0.15 4.51 0.00 -0.41 -1.72 107.32 112.18 3i3l s GLY 229 Ca -0.02 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 3i3l s GLY 229 CO -0.07 -1.09 0.06 1.08 0.00 0.00 0.00 173.10 173.07 3i3l s LEU 230 N -1.58 3.85 -0.25 0.66 1.43 0.11 -0.43 118.68 122.48 3i3l s LEU 230 Ca 0.05 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3i3l s LEU 230 Cb -0.09 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3i3l s LEU 230 CO 0.03 0.26 -0.04 -0.69 0.23 0.00 0.00 176.35 176.14 3i3l s VAL 231 N -0.17 3.13 0.41 -1.59 1.01 0.61 -1.80 120.40 122.00 3i3l s VAL 231 Ca 0.07 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3i3l s VAL 231 Cb -0.12 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3i3l s VAL 231 CO 0.01 0.25 0.16 0.68 0.00 0.00 0.00 175.10 176.20 3i3l s VAL 232 N 1.39 0.48 0.46 2.92 -7.23 -0.43 -1.80 120.40 116.19 3i3l s VAL 232 Ca 0.02 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 3i3l s VAL 232 Cb -0.16 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 3i3l s VAL 232 CO -0.03 0.00 0.82 -0.62 -0.31 0.00 0.00 175.10 174.96 3i3l s ASP 233 N -3.59 6.41 0.46 4.85 2.15 -1.26 -0.94 116.67 124.76 3i3l s ASP 233 Ca 0.25 1.13 0.31 0.00 0.43 0.00 0.00 52.55 54.67 3i3l s ASP 233 Cb 0.02 -2.33 1.43 0.00 -0.30 0.00 0.00 42.92 41.74 3i3l s ASP 233 CO 0.16 -0.53 1.94 0.08 -0.17 0.00 0.00 175.17 176.66 3i3l h ARG 234 N 0.71 0.00 0.00 4.34 -0.00 -1.58 -1.66 114.38 116.19 3i3l h ARG 234 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 3i3l h ARG 234 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 3i3l h ARG 234 CO 0.63 0.00 0.00 -1.13 -0.00 0.00 0.00 179.97 179.47 3i3l n SER 235 N -2.75 0.20 -0.24 0.08 3.41 -1.26 -1.16 113.62 111.91 3i3l n SER 235 Ca 0.00 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 3i3l n SER 235 Cb 0.21 -0.61 0.62 0.00 -0.26 0.00 0.00 64.21 64.17 3i3l n SER 235 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i3l n LYS 236 N -1.76 1.12 -0.15 4.33 4.76 -0.62 -4.14 118.16 121.68 3i3l n LYS 236 Ca -0.00 -0.48 -0.05 0.00 -2.87 0.00 0.00 58.31 54.91 3i3l n LYS 236 Cb 0.03 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.77 3i3l n LYS 236 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 3i3l h SER 237 N 1.16 0.34 -0.77 4.39 0.02 -1.34 -2.41 113.55 114.94 3i3l h SER 237 Ca 0.00 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3i3l h SER 237 Cb 0.35 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 3i3l h SER 237 CO 0.00 0.24 0.49 0.00 -1.14 0.00 0.00 176.83 176.42 3i3l h ALA 238 N 1.26 1.01 0.05 3.77 0.00 -1.81 -0.04 119.26 123.50 3i3l h ALA 238 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i3l h ALA 238 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3i3l h ALA 238 CO -0.15 0.29 -0.02 0.93 0.00 0.00 0.00 179.25 180.30 3i3l h GLU 239 N 0.95 -0.07 -0.63 0.00 5.08 -1.71 0.41 114.58 118.62 3i3l h GLU 239 Ca 0.31 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 3i3l h GLU 239 Cb 0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3i3l h GLU 239 CO -0.11 0.13 0.33 0.28 -1.00 0.00 0.00 179.01 178.64 3i3l h VAL 240 N -0.25 0.95 -0.16 3.13 2.07 -1.17 0.59 116.25 121.40 3i3l h VAL 240 Ca -0.01 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3i3l h VAL 240 Cb 0.22 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3i3l h VAL 240 CO 0.01 0.11 -0.15 0.03 0.02 0.00 0.00 177.57 177.60 3i3l h ARG 241 N 0.62 -0.16 -0.03 1.57 2.47 -0.68 0.09 114.38 118.27 3i3l h ARG 241 Ca 0.28 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.99 3i3l h ARG 241 Cb 0.19 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3i3l h ARG 241 CO -0.19 -0.10 -0.07 1.49 0.56 0.00 0.00 179.97 181.66 3i3l h GLU 242 N -0.16 0.10 -0.02 0.04 4.81 -0.34 -3.35 114.58 115.65 3i3l h GLU 242 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i3l h GLU 242 Cb 0.32 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3i3l h GLU 242 CO -0.26 0.67 -0.31 0.00 -0.73 0.00 0.00 179.01 178.38 3i3l n GLN 243 N -4.71 1.61 0.00 1.92 10.64 0.20 -5.07 117.38 121.97 3i3l n GLN 243 Ca -0.08 -1.33 0.00 0.00 -1.83 0.00 0.00 57.00 53.76 3i3l n GLN 243 Cb 0.34 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 3i3l n GLN 243 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i3l n GLY 244 N 1.39 -2.14 0.32 2.61 0.00 0.01 -4.46 105.19 102.91 3i3l n GLY 244 Ca 0.11 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.93 3i3l n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3l h ALA 245 N 0.00 1.75 -0.16 4.61 0.00 -1.93 -1.91 119.26 121.63 3i3l h ALA 245 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i3l h ALA 245 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i3l h ALA 245 CO 0.00 0.20 -0.00 -0.44 0.00 0.00 0.00 179.25 179.01 3i3l h ASP 246 N 0.55 0.27 -0.28 0.00 3.32 -1.92 0.93 116.42 119.29 3i3l h ASP 246 Ca 0.18 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 3i3l h ASP 246 Cb 0.04 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3i3l h ASP 246 CO -0.04 0.52 -0.10 0.00 -1.72 0.00 0.00 179.24 177.89 3i3l h ALA 247 N 0.76 0.39 -0.92 3.45 0.00 -1.74 -2.63 119.26 118.58 3i3l h ALA 247 Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3i3l h ALA 247 Cb 0.38 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3i3l h ALA 247 CO 0.01 0.24 0.60 0.35 0.00 0.00 0.00 179.25 180.45 3i3l h PHE 248 N 0.32 1.09 0.18 0.00 3.57 -1.22 -2.29 116.94 118.59 3i3l h PHE 248 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3i3l h PHE 248 Cb 0.60 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3i3l h PHE 248 CO 0.06 0.60 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.73 3i3l h TYR 249 N 1.10 -0.23 -0.31 0.41 3.20 -0.65 -1.49 116.97 119.00 3i3l h TYR 249 Ca 0.38 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.21 3i3l h TYR 249 Cb 0.11 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3i3l h TYR 249 CO -0.00 0.10 0.05 0.77 -1.64 0.00 0.00 178.16 177.44 3i3l h SER 250 N -0.59 0.49 0.37 -2.11 0.02 -1.47 0.54 113.55 110.81 3i3l h SER 250 Ca -0.03 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.54 3i3l h SER 250 Cb 0.44 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3i3l h SER 250 CO 0.04 0.63 -0.54 0.77 -1.14 0.00 0.00 176.83 176.59 3i3l h SER 251 N 0.34 0.21 -0.05 3.07 4.64 -1.45 -1.96 113.55 118.34 3i3l h SER 251 Ca 0.09 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3i3l h SER 251 Cb 0.35 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3i3l h SER 251 CO 0.01 0.71 -0.09 0.74 -0.87 0.00 0.00 176.83 177.33 3i3l h THR 252 N 0.15 1.41 0.00 2.95 2.02 -1.25 -3.22 112.91 114.97 3i3l h THR 252 Ca 0.00 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 3i3l h THR 252 Cb 1.00 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3i3l h THR 252 CO 0.08 0.38 -0.06 0.25 0.37 0.00 0.00 175.52 176.54 3i3l h LEU 253 N -0.33 0.00 -1.13 2.58 5.85 -0.77 0.74 115.31 122.25 3i3l h LEU 253 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i3l h LEU 253 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3i3l h LEU 253 CO 0.02 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 3i3l h ALA 254 N 1.94 1.00 0.00 1.25 0.00 -1.37 -2.45 119.26 119.64 3i3l h ALA 254 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3l h ALA 254 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i3l h ALA 254 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 3i3l n LYS 255 N -2.67 0.04 -3.50 0.00 5.02 0.25 -4.53 118.16 112.76 3i3l n LYS 255 Ca 0.01 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3i3l n LYS 255 Cb 0.26 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 3i3l n LYS 255 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i3l h ALA 257 N 7.58 -0.32 -0.67 0.00 0.00 -1.85 -1.09 119.26 122.92 3i3l h ALA 257 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3i3l h ALA 257 Cb 1.01 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3i3l h ALA 257 CO 0.76 -0.70 0.44 0.87 0.00 0.00 0.00 179.25 180.62 3i3l h LYS 258 N -0.35 0.53 -0.17 0.00 1.57 -1.94 0.51 116.57 116.71 3i3l h LYS 258 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3i3l h LYS 258 Cb 0.34 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i3l h LYS 258 CO -0.05 0.35 -0.12 0.00 -0.57 0.00 0.00 179.45 179.06 3i3l h ALA 259 N 1.66 0.24 -0.76 3.86 0.00 -1.72 -1.42 119.26 121.12 3i3l h ALA 259 Ca 0.31 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i3l h ALA 259 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3i3l h ALA 259 CO -0.10 0.10 0.32 0.52 0.00 0.00 0.00 179.25 180.09 3i3l h MET 260 N 0.04 1.11 -0.39 0.00 2.86 -0.48 -0.77 114.93 117.30 3i3l h MET 260 Ca 0.03 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3i3l h MET 260 Cb 0.62 -0.19 -0.07 0.00 0.06 0.00 0.00 31.60 32.02 3i3l h MET 260 CO 0.03 0.89 -0.44 0.22 1.06 0.00 0.00 176.91 178.67 3i3l h ASP 261 N 1.09 -1.50 0.87 1.22 1.82 0.17 0.61 116.42 120.71 3i3l h ASP 261 Ca 0.26 0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 57.03 3i3l h ASP 261 Cb 0.18 0.62 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 3i3l h ASP 261 CO -0.03 -0.30 -0.31 0.16 -1.61 0.00 0.00 179.24 177.16 3i3l h ILE 262 N -0.26 0.75 0.34 2.25 -2.65 -0.74 -3.25 117.51 113.93 3i3l h ILE 262 Ca 0.07 -1.34 -0.02 0.00 1.03 0.00 0.00 64.86 64.60 3i3l h ILE 262 Cb 0.44 1.85 0.00 0.00 -2.05 0.00 0.00 36.82 37.07 3i3l h ILE 262 CO -0.51 0.30 -0.16 0.25 0.03 0.00 0.00 178.15 178.06 3i3l h LEU 263 N 0.00 -0.38 -2.81 0.16 5.85 -0.73 -3.49 115.31 113.91 3i3l h LEU 263 Ca -0.00 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 3i3l h LEU 263 Cb 0.83 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3i3l h LEU 263 CO 0.04 -0.07 -0.35 0.61 -0.34 0.00 0.00 178.44 178.32 3i3l n GLY 264 N 0.33 -1.26 3.43 3.75 0.00 0.17 -3.11 105.19 108.50 3i3l n GLY 264 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3i3l n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 265 N -1.73 1.49 3.26 -0.02 0.00 -1.26 -4.97 105.19 101.96 3i3l n GLY 265 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3i3l n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3l n ALA 266 N 0.61 -3.18 -2.71 4.61 0.00 -1.18 -4.92 120.51 113.74 3i3l n ALA 266 Ca 0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 3i3l n ALA 266 Cb 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 3i3l n ALA 266 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i3l s GLU 267 N -2.00 4.26 -0.02 0.00 2.12 -1.22 -4.91 118.70 116.93 3i3l s GLU 267 Ca 0.55 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.82 3i3l s GLU 267 Cb -0.35 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 3i3l s GLU 267 CO 0.68 0.12 1.36 -1.14 -0.54 0.00 0.00 175.26 175.74 3i3l s GLN 268 N 0.80 4.30 -0.05 4.30 0.74 -1.26 -0.64 119.66 127.83 3i3l s GLN 268 Ca 0.20 1.89 0.08 0.00 0.05 0.00 0.00 55.36 57.58 3i3l s GLN 268 Cb -0.14 -3.58 0.13 0.00 1.10 0.00 0.00 33.01 30.52 3i3l s GLN 268 CO 0.07 -0.55 1.07 1.55 -0.55 0.00 0.00 175.29 176.88 3i3l n VAL 269 N 4.68 1.36 -3.82 1.34 3.14 0.37 -4.93 118.33 120.48 3i3l n VAL 269 Ca 0.13 -1.51 -0.09 0.00 -2.96 0.00 0.00 64.34 59.91 3i3l n VAL 269 Cb 0.44 0.20 -0.04 0.00 -1.06 0.00 0.00 33.84 33.39 3i3l n VAL 269 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i3l s ASP 270 N -1.74 -0.23 1.10 6.55 -1.08 -1.25 -4.94 116.67 115.07 3i3l s ASP 270 Ca 0.13 -0.60 -0.13 0.00 -0.52 0.00 0.00 52.55 51.44 3i3l s ASP 270 Cb 0.12 0.62 0.24 0.00 -1.46 0.00 0.00 42.92 42.44 3i3l s ASP 270 CO 0.02 -1.14 1.06 -1.83 0.52 0.00 0.00 175.17 173.79 3i3l s GLU 271 N -3.91 -0.36 -0.08 4.34 -1.05 -1.26 -4.63 118.70 111.74 3i3l s GLU 271 Ca 0.12 0.69 -0.02 0.00 -0.15 0.00 0.00 54.97 55.62 3i3l s GLU 271 Cb -0.02 -1.63 -0.03 0.00 -0.44 0.00 0.00 34.13 32.01 3i3l s GLU 271 CO 0.02 -3.31 0.00 0.14 0.95 0.00 0.00 175.26 173.06 3i3l s VAL 272 N -2.68 4.30 0.30 1.83 -7.23 -1.26 -4.52 120.40 111.14 3i3l s VAL 272 Ca 0.67 -0.25 0.10 0.00 -1.81 0.00 0.00 61.98 60.69 3i3l s VAL 272 Cb -0.22 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 3i3l s VAL 272 CO 0.62 0.61 -0.10 -0.13 -0.31 0.00 0.00 175.10 175.78 3i3l s ARG 273 N -0.89 1.92 0.08 4.82 0.52 -0.52 -4.94 118.95 119.95 3i3l s ARG 273 Ca 0.13 -1.72 0.01 0.00 -0.52 0.00 0.00 55.73 53.63 3i3l s ARG 273 Cb -0.11 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 3i3l s ARG 273 CO 0.02 0.26 -0.06 0.96 0.02 0.00 0.00 175.30 176.51 3i3l s ILE 274 N -2.49 0.55 -0.15 1.52 -4.36 -1.26 -1.87 121.20 113.15 3i3l s ILE 274 Ca 0.32 -1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 3i3l s ILE 274 Cb -0.03 -1.56 0.10 0.00 1.25 0.00 0.00 42.46 42.22 3i3l s ILE 274 CO 0.17 -0.87 0.84 0.54 0.24 0.00 0.00 174.94 175.86 3i3l s VAL 275 N -3.54 0.00 -0.18 8.37 0.11 -0.30 -5.00 120.40 119.86 3i3l s VAL 275 Ca 0.09 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.85 3i3l s VAL 275 Cb 0.05 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 3i3l s VAL 275 CO -0.06 0.00 1.22 -1.10 -3.33 0.00 0.00 175.10 171.84 3i3l s GLN 276 N -0.76 4.24 -0.59 1.54 -1.52 -1.26 -0.55 119.66 120.75 3i3l s GLN 276 Ca -0.04 1.61 0.06 0.00 -1.95 0.00 0.00 55.36 55.04 3i3l s GLN 276 Cb -0.02 -3.74 0.26 0.00 -0.22 0.00 0.00 33.01 29.30 3i3l s GLN 276 CO 0.04 -0.69 0.74 -0.25 -0.25 0.00 0.00 175.29 174.88 3i3l n ASP 277 N 6.55 3.29 -4.77 5.90 10.43 0.77 -4.97 116.55 133.74 3i3l n ASP 277 Ca 0.14 -3.36 -0.38 0.00 2.57 0.00 0.00 54.79 53.75 3i3l n ASP 277 Cb 0.45 -0.65 -0.05 0.00 1.84 0.00 0.00 41.12 42.71 3i3l n ASP 277 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3i3l s TRP 278 N -2.44 3.55 0.49 1.24 0.52 -1.21 -3.64 118.94 117.46 3i3l s TRP 278 Ca 0.40 1.73 -0.23 0.00 0.02 0.00 0.00 56.10 58.03 3i3l s TRP 278 Cb 0.18 -3.09 -0.06 0.00 -1.15 0.00 0.00 33.47 29.34 3i3l s TRP 278 CO -0.04 -0.25 1.26 -1.12 0.02 0.00 0.00 176.95 176.82 3i3l s SER 279 N -1.37 5.77 -0.08 2.95 0.01 -0.56 -4.82 113.70 115.60 3i3l s SER 279 Ca 0.50 2.54 -0.30 0.00 1.31 0.00 0.00 55.95 60.01 3i3l s SER 279 Cb -0.24 -2.62 0.10 0.00 0.21 0.00 0.00 66.02 63.48 3i3l s SER 279 CO 0.30 -1.21 0.87 -0.72 0.41 0.00 0.00 173.24 172.90 3i3l s TYR 280 N -1.42 -0.44 0.00 2.43 -0.85 -1.16 -1.08 117.35 114.83 3i3l s TYR 280 Ca 0.67 0.64 0.00 0.00 -0.52 0.00 0.00 57.07 57.86 3i3l s TYR 280 Cb -0.35 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.46 3i3l s TYR 280 CO 0.42 -0.48 0.00 -0.40 -1.52 0.00 0.00 175.55 173.56 3i3l n ASP 281 N 0.49 0.56 -4.08 -0.18 5.75 -0.76 -1.43 116.55 116.90 3i3l n ASP 281 Ca -0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.54 3i3l n ASP 281 Cb 0.59 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.57 3i3l n ASP 281 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3i3l s THR 282 N 1.76 0.52 0.33 2.12 2.01 -1.24 -0.80 115.64 120.33 3i3l s THR 282 Ca 0.00 -1.28 0.07 0.00 0.31 0.00 0.00 61.69 60.79 3i3l s THR 282 Cb 0.00 -0.85 0.09 0.00 0.01 0.00 0.00 72.50 71.76 3i3l s THR 282 CO 0.00 -0.53 1.79 -0.08 -0.69 0.00 0.00 174.62 175.11 3i3l h GLU 283 N 4.12 0.28 -3.80 4.92 4.81 -1.32 -3.43 114.58 120.16 3i3l h GLU 283 Ca -0.35 -0.10 -0.52 0.00 -0.13 0.00 0.00 59.36 58.26 3i3l h GLU 283 Cb 1.19 -0.02 -0.39 0.00 0.63 0.00 0.00 28.75 30.16 3i3l h GLU 283 CO 0.47 0.53 -0.77 0.08 -0.73 0.00 0.00 179.01 178.59 3i3l s VAL 284 N -4.45 0.72 -0.20 0.32 1.01 -1.26 -5.00 120.40 111.53 3i3l s VAL 284 Ca -0.05 -0.47 0.19 0.00 0.00 0.00 0.00 61.98 61.64 3i3l s VAL 284 Cb 0.14 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3i3l s VAL 284 CO 0.76 -0.01 1.15 -0.26 0.00 0.00 0.00 175.10 176.75 3i3l h PHE 285 N 8.21 0.00 -1.70 5.22 0.04 -1.92 -3.47 116.94 123.32 3i3l h PHE 285 Ca -0.19 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.71 3i3l h PHE 285 Cb 1.12 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.06 3i3l h PHE 285 CO 0.38 0.33 0.62 -1.54 -0.60 0.00 0.00 178.31 177.51 3i3l s SER 286 N -5.92 -0.29 0.05 2.17 1.04 -1.26 -1.17 113.70 108.31 3i3l s SER 286 Ca 0.01 0.18 -0.27 0.00 0.48 0.00 0.00 55.95 56.35 3i3l s SER 286 Cb 0.08 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.56 3i3l s SER 286 CO 0.77 -0.37 0.79 0.00 0.98 0.00 0.00 173.24 175.41 3i3l s ALA 287 N -1.92 -1.75 0.00 5.32 0.00 -0.96 -4.90 121.76 117.55 3i3l s ALA 287 Ca 0.03 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3i3l s ALA 287 Cb -0.01 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3i3l s ALA 287 CO -0.03 -0.70 0.00 -0.25 0.00 0.00 0.00 175.76 174.78 3i3l n ASP 288 N -0.24 0.00 -0.98 0.00 8.00 -1.26 -1.46 116.55 120.61 3i3l n ASP 288 Ca -0.12 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.46 3i3l n ASP 288 Cb 0.63 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.98 3i3l n ASP 288 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i3l n ARG 289 N 6.29 3.15 -4.29 -1.24 1.74 -1.26 -4.99 116.66 116.06 3i3l n ARG 289 Ca 0.00 -2.60 -0.22 0.00 -0.77 0.00 0.00 57.85 54.26 3i3l n ARG 289 Cb 0.00 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 29.64 3i3l n ARG 289 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3i3l s PHE 290 N -2.03 1.73 -0.01 -1.55 -0.12 -0.53 -1.10 117.98 114.37 3i3l s PHE 290 Ca 0.38 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.85 3i3l s PHE 290 Cb 0.27 -0.91 -0.01 0.00 -0.63 0.00 0.00 43.02 41.73 3i3l s PHE 290 CO 0.14 0.23 -0.12 -0.06 -0.05 0.00 0.00 175.22 175.36 3i3l s PHE 291 N -1.55 1.12 -0.16 3.49 0.08 -0.85 -2.27 117.98 117.84 3i3l s PHE 291 Ca 0.09 -0.21 -0.08 0.00 0.12 0.00 0.00 56.93 56.85 3i3l s PHE 291 Cb -0.08 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3i3l s PHE 291 CO 0.05 -0.02 0.12 -0.51 -0.10 0.00 0.00 175.22 174.76 3i3l s LEU 292 N -0.30 4.21 0.05 -0.37 1.43 -0.32 -0.58 118.68 122.80 3i3l s LEU 292 Ca 0.05 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 3i3l s LEU 292 Cb -0.05 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3i3l s LEU 292 CO -0.00 0.28 -0.17 0.00 0.23 0.00 0.00 176.35 176.69 3i3l n GLY 294 N 1.75 0.99 0.33 0.00 0.00 -1.26 -2.98 105.19 104.02 3i3l n GLY 294 Ca -0.18 -0.70 0.21 0.00 0.00 0.00 0.00 46.02 45.35 3i3l n GLY 294 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i3l h ASP 295 N 8.94 0.00 0.09 1.61 5.19 -1.86 0.16 116.42 130.55 3i3l h ASP 295 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3i3l h ASP 295 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3i3l h ASP 295 CO 0.00 0.00 -0.07 0.00 -3.12 0.00 0.00 179.24 176.05 3i3l h ALA 296 N 2.00 1.77 0.00 3.45 0.00 -1.45 -3.24 119.26 121.78 3i3l h ALA 296 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3i3l h ALA 296 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i3l h ALA 296 CO 0.00 0.09 -0.95 0.00 0.00 0.00 0.00 179.25 178.39 3i3l n ALA 297 N -2.47 0.66 -3.13 0.00 0.00 0.51 -4.65 120.51 111.42 3i3l n ALA 297 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 3i3l n ALA 297 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 3i3l n ALA 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3l s PHE 299 N -3.80 0.85 -0.08 0.00 5.36 -0.51 -3.77 117.98 116.04 3i3l s PHE 299 Ca 0.03 -0.24 0.03 0.00 -0.96 0.00 0.00 56.93 55.79 3i3l s PHE 299 Cb 0.01 -0.69 -0.02 0.00 -0.34 0.00 0.00 43.02 41.98 3i3l s PHE 299 CO -0.11 -0.17 -0.16 0.95 -1.46 0.00 0.00 175.22 174.27 3i3l s THR 300 N 0.66 2.83 -0.33 0.12 -4.23 -1.26 -2.99 115.64 110.43 3i3l s THR 300 Ca -0.10 -0.78 -0.42 0.00 -1.18 0.00 0.00 61.69 59.21 3i3l s THR 300 Cb -0.13 -2.12 -0.17 0.00 1.34 0.00 0.00 72.50 71.42 3i3l s THR 300 CO 0.01 0.56 1.65 -0.67 -0.54 0.00 0.00 174.62 175.63 3i3l n ASP 301 N 2.85 1.85 -0.09 3.99 -0.08 -1.26 -4.83 116.55 118.97 3i3l n ASP 301 Ca -0.18 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 3i3l n ASP 301 Cb 0.52 -1.04 0.00 0.00 2.34 0.00 0.00 41.12 42.94 3i3l n ASP 301 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i3l n PRO 302 N 4.62 0.68 -0.26 -0.67 -0.04 -1.26 -4.16 135.00 133.90 3i3l n PRO 302 Ca 0.27 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 3i3l n PRO 302 Cb 0.06 -1.06 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 3i3l n PRO 302 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3i3l h LEU 303 N 0.06 0.17 -3.47 1.53 5.85 -2.05 -0.93 115.31 116.48 3i3l h LEU 303 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3i3l h LEU 303 Cb 0.06 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3i3l h LEU 303 CO 0.00 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.63 3i3l n PHE 304 N -5.07 1.96 -3.93 1.25 3.72 -1.26 -4.98 117.46 109.15 3i3l n PHE 304 Ca 0.15 -0.70 -0.28 0.00 -0.05 0.00 0.00 57.45 56.57 3i3l n PHE 304 Cb 0.45 -0.45 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3i3l n PHE 304 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3i3l n SER 305 N 0.76 -2.62 -0.12 4.37 7.64 -0.35 -4.85 113.62 118.45 3i3l n SER 305 Ca 0.28 -0.89 0.12 0.00 1.01 0.00 0.00 58.87 59.39 3i3l n SER 305 Cb 1.13 -3.52 0.29 0.00 -1.01 0.00 0.00 64.21 61.11 3i3l n SER 305 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i3l n GLN 306 N -4.47 0.39 0.18 1.43 1.13 -1.26 -4.67 117.38 110.12 3i3l n GLN 306 Ca -0.11 -0.24 -0.14 0.00 -1.94 0.00 0.00 57.00 54.57 3i3l n GLN 306 Cb 0.59 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 3i3l n GLN 306 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3i3l h GLY 307 N 4.96 -0.49 1.44 1.08 0.00 -1.89 0.44 103.07 108.61 3i3l h GLY 307 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3i3l h GLY 307 CO 0.00 -0.18 0.03 -2.08 0.00 0.00 0.00 176.54 174.31 3i3l h VAL 308 N -0.75 1.22 -0.19 4.60 2.07 -1.91 -1.11 116.25 120.18 3i3l h VAL 308 Ca -0.05 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3i3l h VAL 308 Cb 0.51 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3i3l h VAL 308 CO 0.08 0.31 0.11 -0.74 0.02 0.00 0.00 177.57 177.35 3i3l h HIS 309 N 0.66 0.22 -0.12 1.57 6.17 -1.79 -0.68 115.15 121.18 3i3l h HIS 309 Ca 0.14 0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.12 3i3l h HIS 309 Cb 0.37 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.21 3i3l h HIS 309 CO 0.02 0.13 -0.41 -0.07 0.71 0.00 0.00 177.93 178.31 3i3l h LEU 310 N 0.24 0.29 -0.75 0.26 3.38 -0.68 0.39 115.31 118.43 3i3l h LEU 310 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i3l h LEU 310 Cb -0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3i3l h LEU 310 CO -0.03 0.67 0.46 0.00 0.09 0.00 0.00 178.44 179.63 3i3l h ALA 311 N 1.35 0.96 -0.11 1.53 0.00 -0.97 -1.44 119.26 120.58 3i3l h ALA 311 Ca 0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3i3l h ALA 311 Cb 0.82 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i3l h ALA 311 CO 0.06 0.42 -0.23 0.77 0.00 0.00 0.00 179.25 180.28 3i3l h SER 312 N 1.03 0.39 -0.48 0.00 0.02 -0.65 -1.79 113.55 112.07 3i3l h SER 312 Ca 0.27 -0.57 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 3i3l h SER 312 Cb -0.04 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3i3l h SER 312 CO -0.05 0.89 0.02 -0.61 -1.14 0.00 0.00 176.83 175.94 3i3l h GLN 313 N -0.08 0.83 -0.07 3.45 4.15 -0.92 -1.16 115.11 121.31 3i3l h GLN 313 Ca 0.00 -0.25 -0.15 0.00 0.77 0.00 0.00 58.65 59.02 3i3l h GLN 313 Cb 0.83 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3i3l h GLN 313 CO 0.05 0.87 -0.60 0.66 -1.93 0.00 0.00 178.83 177.88 3i3l h SER 314 N 0.69 0.27 -0.35 -0.69 4.64 -1.30 -1.17 113.55 115.65 3i3l h SER 314 Ca 0.14 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3i3l h SER 314 Cb 0.48 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3i3l h SER 314 CO 0.02 0.81 0.11 0.00 -0.87 0.00 0.00 176.83 176.89 3i3l h ALA 315 N 1.20 0.46 -0.79 5.18 0.00 -1.01 0.25 119.26 124.55 3i3l h ALA 315 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3i3l h ALA 315 Cb 1.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3i3l h ALA 315 CO 0.09 0.10 0.41 0.28 0.00 0.00 0.00 179.25 180.14 3i3l h VAL 316 N 0.42 1.24 -0.33 0.00 2.07 -1.09 -1.47 116.25 117.08 3i3l h VAL 316 Ca 0.11 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 3i3l h VAL 316 Cb 0.26 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3i3l h VAL 316 CO -0.00 0.27 -0.33 0.28 0.02 0.00 0.00 177.57 177.81 3i3l h SER 317 N 1.10 0.77 -0.36 0.57 0.02 -0.75 -1.84 113.55 113.05 3i3l h SER 317 Ca 0.27 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 3i3l h SER 317 Cb 0.07 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3i3l h SER 317 CO -0.04 1.03 -0.38 0.00 -1.14 0.00 0.00 176.83 176.30 3i3l h ALA 318 N 1.01 0.60 -0.02 3.77 0.00 -0.26 0.27 119.26 124.63 3i3l h ALA 318 Ca 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3i3l h ALA 318 Cb 0.86 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3i3l h ALA 318 CO 0.07 0.68 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 3i3l h ALA 319 N 0.80 -0.16 -0.50 0.00 0.00 -1.18 -0.21 119.26 118.01 3i3l h ALA 319 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i3l h ALA 319 Cb 0.97 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3i3l h ALA 319 CO 0.09 -0.64 0.08 0.00 0.00 0.00 0.00 179.25 178.79 3i3l h ALA 320 N 0.72 1.21 -0.25 0.00 0.00 -1.21 -1.17 119.26 118.57 3i3l h ALA 320 Ca 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3i3l h ALA 320 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i3l h ALA 320 CO -0.17 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.68 3i3l h ALA 321 N 1.35 0.32 -0.69 0.00 0.00 -0.67 -0.88 119.26 118.69 3i3l h ALA 321 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i3l h ALA 321 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3i3l h ALA 321 CO 0.00 -0.03 0.38 0.82 0.00 0.00 0.00 179.25 180.43 3i3l h ILE 322 N 0.22 1.21 -0.43 0.00 2.04 -0.69 -1.61 117.51 118.26 3i3l h ILE 322 Ca 0.08 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3i3l h ILE 322 Cb 0.27 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3i3l h ILE 322 CO 0.00 0.23 0.24 -0.78 0.00 0.00 0.00 178.15 177.84 3i3l h ASP 323 N 0.94 0.37 -0.67 1.72 3.58 -1.06 -1.11 116.42 120.19 3i3l h ASP 323 Ca 0.24 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 3i3l h ASP 323 Cb 0.03 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3i3l h ASP 323 CO -0.04 0.27 0.24 -0.09 -2.88 0.00 0.00 179.24 176.74 3i3l h ARG 324 N 0.48 1.02 -0.23 0.28 9.65 -0.92 -2.50 114.38 122.17 3i3l h ARG 324 Ca 0.17 -0.20 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 3i3l h ARG 324 Cb 0.04 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3i3l h ARG 324 CO -0.10 0.87 -0.40 0.82 2.80 0.00 0.00 179.97 183.96 3i3l h ILE 325 N 0.96 1.30 -0.86 1.20 2.04 -1.07 -0.32 117.51 120.76 3i3l h ILE 325 Ca 0.22 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 3i3l h ILE 325 Cb 0.25 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3i3l h ILE 325 CO -0.01 0.49 0.43 0.74 0.00 0.00 0.00 178.15 179.80 3i3l h THR 326 N 0.44 1.26 0.00 -0.27 2.02 -0.93 -2.91 112.91 112.52 3i3l h THR 326 Ca 0.04 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3i3l h THR 326 Cb 0.89 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3i3l h THR 326 CO 0.08 0.31 -1.05 0.54 0.37 0.00 0.00 175.52 175.76 3i3l n ARG 327 N -4.32 0.60 -3.35 6.66 1.74 -0.97 -4.61 116.66 112.41 3i3l n ARG 327 Ca 0.09 0.11 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 3i3l n ARG 327 Cb 0.13 -1.81 -0.09 0.00 -1.02 0.00 0.00 32.46 29.66 3i3l n ARG 327 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i3l s HIS 328 N -3.37 0.70 -0.16 -1.55 3.76 -0.14 -4.37 115.29 110.17 3i3l s HIS 328 Ca -0.01 -1.95 0.29 0.00 -0.15 0.00 0.00 55.06 53.24 3i3l s HIS 328 Cb 0.10 -0.78 1.06 0.00 1.11 0.00 0.00 32.58 34.07 3i3l s HIS 328 CO 0.80 -0.87 1.85 0.78 -0.85 0.00 0.00 174.74 176.44 3i3l h GLY 329 N 5.95 0.00 2.00 -2.22 0.00 -1.76 -1.75 103.07 105.29 3i3l h GLY 329 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3i3l h GLY 329 CO 0.31 0.00 0.00 1.29 0.00 0.00 0.00 176.54 178.14 3i3l h ASP 330 N 0.00 0.00 -0.44 0.19 2.03 -1.95 -3.07 116.42 113.18 3i3l h ASP 330 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i3l h ASP 330 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3i3l h ASP 330 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.59 3i3l n GLU 331 N -2.33 2.31 -0.21 4.15 1.02 -0.66 -4.62 120.64 120.30 3i3l n GLU 331 Ca 0.01 -2.00 -0.04 0.00 -0.02 0.00 0.00 57.16 55.11 3i3l n GLU 331 Cb 0.20 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.17 3i3l n GLU 331 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i3l h LYS 332 N 3.62 -0.13 -0.30 3.49 3.64 -1.69 -0.04 116.57 125.16 3i3l h LYS 332 Ca 0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3i3l h LYS 332 Cb 0.81 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3i3l h LYS 332 CO 0.00 -0.09 0.04 -0.44 -2.27 0.00 0.00 179.45 176.69 3i3l h ASP 333 N -0.14 0.48 -0.67 4.20 3.32 -1.88 -2.05 116.42 119.68 3i3l h ASP 333 Ca 0.25 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3i3l h ASP 333 Cb 0.54 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3i3l h ASP 333 CO -0.68 0.62 0.30 0.00 -1.72 0.00 0.00 179.24 177.76 3i3l h ALA 334 N 0.87 1.23 -0.24 3.45 0.00 -1.76 -0.10 119.26 122.72 3i3l h ALA 334 Ca 0.09 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3i3l h ALA 334 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i3l h ALA 334 CO 0.01 0.58 -0.52 0.28 0.00 0.00 0.00 179.25 179.59 3i3l h VAL 335 N 0.99 1.29 -0.56 0.00 2.07 -0.76 -0.69 116.25 118.59 3i3l h VAL 335 Ca 0.24 -1.72 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 3i3l h VAL 335 Cb 0.15 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3i3l h VAL 335 CO -0.03 0.55 -0.01 0.45 0.02 0.00 0.00 177.57 178.55 3i3l h HIS 336 N 0.51 1.09 -0.63 1.57 -0.00 -1.15 -1.06 115.15 115.49 3i3l h HIS 336 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.17 3i3l h HIS 336 Cb 1.13 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 3i3l h HIS 336 CO 0.08 0.98 0.34 0.00 -0.00 0.00 0.00 177.93 179.33 3i3l h ALA 337 N 0.96 1.42 -0.30 2.45 0.00 -0.87 -0.16 119.26 122.76 3i3l h ALA 337 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3i3l h ALA 337 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i3l h ALA 337 CO 0.03 0.48 -0.04 2.35 0.00 0.00 0.00 179.25 182.07 3i3l h TRP 338 N 0.87 0.61 -0.73 0.00 7.01 -0.83 -1.68 115.95 121.20 3i3l h TRP 338 Ca 0.22 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 3i3l h TRP 338 Cb 0.03 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 3i3l h TRP 338 CO 0.01 0.72 0.39 -0.92 -2.79 0.00 0.00 178.44 175.85 3i3l h TYR 339 N 0.33 1.02 -0.12 2.65 3.20 -0.65 -1.69 116.97 121.71 3i3l h TYR 339 Ca 0.08 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3i3l h TYR 339 Cb 0.50 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 3i3l h TYR 339 CO 0.04 0.72 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.35 3i3l h ASN 340 N 1.01 0.23 -0.44 -2.11 2.35 -1.01 -2.32 115.58 113.29 3i3l h ASN 340 Ca 0.26 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3i3l h ASN 340 Cb 0.05 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3i3l h ASN 340 CO -0.04 0.54 0.27 -0.09 -1.65 0.00 0.00 177.43 176.46 3i3l h ARG 341 N -0.09 0.53 -0.34 0.81 2.43 -1.28 -1.05 114.38 115.40 3i3l h ARG 341 Ca 0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3i3l h ARG 341 Cb 0.44 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3i3l h ARG 341 CO 0.01 0.35 0.01 1.15 -1.51 0.00 0.00 179.97 179.98 3i3l h THR 342 N 0.54 1.25 -0.47 0.20 2.02 -1.29 -0.62 112.91 114.55 3i3l h THR 342 Ca 0.17 -0.95 -0.14 0.00 0.77 0.00 0.00 66.41 66.27 3i3l h THR 342 Cb -0.01 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3i3l h THR 342 CO -0.07 0.31 -0.24 0.22 0.37 0.00 0.00 175.52 176.12 3i3l h TYR 343 N 0.41 1.15 -0.38 3.16 -0.00 -1.31 -2.51 116.97 117.49 3i3l h TYR 343 Ca 0.10 -0.29 -0.02 0.00 -0.00 0.00 0.00 58.73 58.51 3i3l h TYR 343 Cb 0.44 -0.26 -0.02 0.00 -0.00 0.00 0.00 36.73 36.89 3i3l h TYR 343 CO 0.03 1.12 0.14 -0.09 -0.00 0.00 0.00 178.16 179.37 3i3l h ARG 344 N 0.85 0.58 -0.57 1.82 2.43 -0.98 -1.71 114.38 116.79 3i3l h ARG 344 Ca 0.10 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3i3l h ARG 344 Cb 0.83 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3i3l h ARG 344 CO 0.07 0.56 0.02 0.93 -1.51 0.00 0.00 179.97 180.05 3i3l h GLU 345 N 0.47 0.96 -0.60 0.20 5.08 -1.10 0.03 114.58 119.63 3i3l h GLU 345 Ca 0.13 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3i3l h GLU 345 Cb 0.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3i3l h GLU 345 CO -0.01 0.94 0.36 0.00 -1.00 0.00 0.00 179.01 179.29 3i3l h ALA 346 N 1.12 0.76 0.09 3.43 0.00 -1.21 -2.49 119.26 120.97 3i3l h ALA 346 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i3l h ALA 346 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i3l h ALA 346 CO 0.02 0.25 -0.04 -0.92 0.00 0.00 0.00 179.25 178.56 3i3l h TYR 347 N 0.81 -0.11 -0.15 0.00 3.20 -0.83 -2.09 116.97 117.81 3i3l h TYR 347 Ca 0.21 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3i3l h TYR 347 Cb -0.01 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3i3l h TYR 347 CO -0.02 0.24 -0.10 0.93 -1.64 0.00 0.00 178.16 177.57 3i3l h GLU 348 N -0.47 0.23 0.00 1.82 5.08 -1.02 -1.84 114.58 118.38 3i3l h GLU 348 Ca -0.01 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 3i3l h GLU 348 Cb 0.39 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3i3l h GLU 348 CO 0.02 0.34 -1.40 -0.56 -1.00 0.00 0.00 179.01 176.41 3i3l h GLN 349 N 0.22 0.00 -0.57 2.33 3.07 -1.39 -1.54 115.11 117.22 3i3l h GLN 349 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.73 3i3l h GLN 349 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.86 3i3l h GLN 349 CO 0.02 0.36 0.14 -0.92 0.09 0.00 0.00 178.83 178.51 3i3l h TYR 350 N 0.00 0.92 -0.03 0.06 3.20 -1.18 -2.54 116.97 117.39 3i3l h TYR 350 Ca -0.17 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 3i3l h TYR 350 Cb 1.66 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 3i3l h TYR 350 CO 0.00 0.76 -0.00 1.25 -1.64 0.00 0.00 178.16 178.53 3i3l h HIS 351 N 0.85 0.06 -0.89 -3.82 2.76 -1.20 -0.11 115.15 112.80 3i3l h HIS 351 Ca 0.19 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 3i3l h HIS 351 Cb 0.31 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 3i3l h HIS 351 CO 0.02 0.38 0.58 0.37 -1.30 0.00 0.00 177.93 177.97 3i3l h GLN 352 N -0.27 0.89 0.02 5.26 4.15 -1.30 -1.89 115.11 121.98 3i3l h GLN 352 Ca 0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3i3l h GLN 352 Cb 0.35 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3i3l h GLN 352 CO 0.00 0.59 -0.01 0.35 -1.93 0.00 0.00 178.83 177.83 3i3l h PHE 353 N 0.91 -0.03 -0.92 3.99 3.04 -1.29 -2.91 116.94 119.73 3i3l h PHE 353 Ca 0.41 -0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.60 3i3l h PHE 353 Cb 0.37 0.01 -0.13 0.00 2.56 0.00 0.00 35.95 38.76 3i3l h PHE 353 CO -0.00 0.52 0.42 1.25 -2.02 0.00 0.00 178.31 178.48 3i3l h LEU 354 N -0.61 0.34 -0.75 0.59 5.85 -0.79 -1.14 115.31 118.80 3i3l h LEU 354 Ca -0.00 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3i3l h LEU 354 Cb 0.57 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3i3l h LEU 354 CO 0.01 -0.04 0.46 0.00 -0.34 0.00 0.00 178.44 178.53 3i3l h ALA 355 N 1.75 0.96 0.30 1.25 0.00 -1.15 -0.52 119.26 121.84 3i3l h ALA 355 Ca 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3i3l h ALA 355 Cb 1.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3i3l h ALA 355 CO -0.56 0.42 -0.34 0.77 0.00 0.00 0.00 179.25 179.54 3i3l h SER 356 N 1.03 -0.93 -0.40 0.00 0.02 -1.11 -1.24 113.55 110.93 3i3l h SER 356 Ca 0.27 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.37 3i3l h SER 356 Cb -0.05 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3i3l h SER 356 CO -0.05 -0.47 0.08 -0.26 -1.14 0.00 0.00 176.83 174.99 3i3l h PHE 357 N -0.68 0.14 -0.54 3.45 -1.00 -1.03 -1.55 116.94 115.72 3i3l h PHE 357 Ca -0.01 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3i3l h PHE 357 Cb 0.63 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.16 3i3l h PHE 357 CO -0.21 0.02 0.36 1.88 -1.61 0.00 0.00 178.31 178.74 3i3l h TYR 358 N 0.21 0.68 -0.99 -0.55 0.05 -1.06 -2.42 116.97 112.89 3i3l h TYR 358 Ca 0.19 0.02 0.11 0.00 0.05 0.00 0.00 58.73 59.09 3i3l h TYR 358 Cb 0.23 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 3i3l h TYR 358 CO -0.20 0.43 0.63 1.15 -1.05 0.00 0.00 178.16 179.12 3i3l h THR 359 N 0.73 0.96 -0.58 -2.88 2.02 -0.60 -1.43 112.91 111.13 3i3l h THR 359 Ca 0.20 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3i3l h THR 359 Cb -0.08 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.15 3i3l h THR 359 CO -0.05 0.19 0.12 -0.26 0.37 0.00 0.00 175.52 175.89 3i3l h PHE 360 N 1.02 1.01 0.00 3.16 0.04 -0.83 -2.41 116.94 118.93 3i3l h PHE 360 Ca 0.48 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 61.04 3i3l h PHE 360 Cb 0.41 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3i3l h PHE 360 CO -0.00 0.87 -0.33 0.00 -0.60 0.00 0.00 178.31 178.25 3i3l h ALA 361 N 1.02 1.14 0.00 2.45 0.00 -1.06 -3.13 119.26 119.68 3i3l h ALA 361 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i3l h ALA 361 Cb 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i3l h ALA 361 CO 0.01 0.41 -0.05 0.66 0.00 0.00 0.00 179.25 180.28 3i3l h SER 362 N 0.00 0.00 0.53 0.00 4.64 -0.74 -0.68 113.55 117.29 3i3l h SER 362 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3i3l h SER 362 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3i3l h SER 362 CO 0.04 0.05 -0.27 -0.26 -0.87 0.00 0.00 176.83 175.52 3i3l h PHE 363 N 0.00 0.00 -0.00 4.77 0.04 -1.52 -3.23 116.94 117.00 3i3l h PHE 363 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3i3l h PHE 363 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3i3l h PHE 363 CO 0.00 0.27 0.00 0.25 -0.60 0.00 0.00 178.31 178.23 3i3l n THR 364 N -3.75 0.02 -4.03 -1.55 -2.24 -0.87 -5.01 114.28 96.85 3i3l n THR 364 Ca -0.01 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.01 3i3l n THR 364 Cb 0.37 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 3i3l n THR 364 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i3l s GLU 365 N -0.08 3.15 1.07 -0.78 0.41 -0.32 -4.15 118.70 118.00 3i3l s GLU 365 Ca 0.01 -0.81 -0.13 0.00 -0.41 0.00 0.00 54.97 53.63 3i3l s GLU 365 Cb 0.01 -2.76 0.23 0.00 -1.78 0.00 0.00 34.13 29.83 3i3l s GLU 365 CO 0.01 0.47 1.07 -1.25 -0.49 0.00 0.00 175.26 175.07 3i3l s PRO 366 N -3.43 -0.19 -1.33 0.39 0.04 -1.26 -4.82 135.00 124.39 3i3l s PRO 366 Ca 0.33 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 61.88 3i3l s PRO 366 Cb -0.10 -1.66 0.12 0.00 0.04 0.00 0.00 34.50 32.91 3i3l s PRO 366 CO 0.26 -3.17 2.21 -3.47 0.04 0.00 0.00 177.00 172.86 3i3l n ASP 367 N -4.49 6.64 -4.89 6.66 2.03 -1.26 -4.74 116.55 116.50 3i3l n ASP 367 Ca 0.04 -3.07 -0.29 0.00 0.52 0.00 0.00 54.79 51.99 3i3l n ASP 367 Cb 0.56 -1.44 0.02 0.00 -0.72 0.00 0.00 41.12 39.54 3i3l n ASP 367 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i3l s SER 368 N 0.84 5.92 0.41 1.67 1.04 -1.26 -4.91 113.70 117.40 3i3l s SER 368 Ca 0.49 1.11 0.13 0.00 0.48 0.00 0.00 55.95 58.15 3i3l s SER 368 Cb 0.14 -2.14 0.96 0.00 0.10 0.00 0.00 66.02 65.08 3i3l s SER 368 CO -0.05 -0.96 1.94 -0.08 0.98 0.00 0.00 173.24 175.06 3i3l h GLU 369 N -0.26 0.49 0.40 4.02 4.81 -1.92 -1.53 114.58 120.60 3i3l h GLU 369 Ca -0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3i3l h GLU 369 Cb 1.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3i3l h GLU 369 CO 0.62 0.33 -0.48 0.35 -0.73 0.00 0.00 179.01 179.10 3i3l h PHE 370 N 0.51 -1.32 -0.29 0.92 3.57 -1.89 -0.98 116.94 117.45 3i3l h PHE 370 Ca 0.35 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 3i3l h PHE 370 Cb 0.65 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3i3l h PHE 370 CO -0.00 -0.62 -0.30 -1.49 -2.23 0.00 0.00 178.31 173.67 3i3l h TRP 371 N -0.90 0.70 -0.43 0.41 4.06 -1.78 -3.06 115.95 114.95 3i3l h TRP 371 Ca -0.04 -0.17 -0.13 0.00 2.06 0.00 0.00 58.89 60.61 3i3l h TRP 371 Cb 0.81 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 3i3l h TRP 371 CO -0.28 0.84 -0.23 -0.09 -3.56 0.00 0.00 178.44 175.11 3i3l h ARG 372 N 0.52 0.90 -0.02 0.49 2.43 -1.21 -0.10 114.38 117.39 3i3l h ARG 372 Ca 0.07 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3i3l h ARG 372 Cb 0.77 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3i3l h ARG 372 CO 0.06 1.03 -0.42 0.87 -1.51 0.00 0.00 179.97 180.00 3i3l h LYS 373 N 0.77 0.04 0.00 0.20 1.79 -1.12 -3.35 116.57 114.90 3i3l h LYS 373 Ca 0.10 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3i3l h LYS 373 Cb 0.79 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.43 3i3l h LYS 373 CO 0.07 0.46 -1.93 0.54 -1.08 0.00 0.00 179.45 177.51 3i3l n ARG 374 N -4.03 0.62 -2.23 3.15 1.74 -0.96 -4.82 116.66 110.14 3i3l n ARG 374 Ca -0.02 -0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.57 3i3l n ARG 374 Cb 0.46 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 3i3l n ARG 374 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3i3l s ARG 375 N -3.31 3.64 0.35 5.56 1.70 -0.09 -4.62 118.95 122.18 3i3l s ARG 375 Ca -0.07 1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 55.98 3i3l s ARG 375 Cb 0.12 -2.08 -0.11 0.00 -0.57 0.00 0.00 34.95 32.31 3i3l s ARG 375 CO 0.82 -0.54 1.51 0.42 -1.08 0.00 0.00 175.30 176.43 3i3l s ILE 376 N -2.53 2.11 -0.19 4.99 1.01 -1.26 -4.95 121.20 120.37 3i3l s ILE 376 Ca 0.61 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 3i3l s ILE 376 Cb -0.13 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3i3l s ILE 376 CO 0.34 0.02 0.46 -0.89 0.00 0.00 0.00 174.94 174.87 3i3l s THR 377 N -0.75 5.16 -0.02 2.92 2.01 -1.26 -5.04 115.64 118.66 3i3l s THR 377 Ca 0.56 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 3i3l s THR 377 Cb -0.46 -3.79 0.11 0.00 0.01 0.00 0.00 72.50 68.37 3i3l s THR 377 CO 0.57 0.22 1.14 -1.83 -0.69 0.00 0.00 174.62 174.03 3i3l s GLU 378 N 1.40 0.62 0.57 4.92 -1.05 -1.26 -5.15 118.70 118.76 3i3l s GLU 378 Ca 0.22 -0.31 -0.19 0.00 -0.15 0.00 0.00 54.97 54.54 3i3l s GLU 378 Cb -0.15 0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.71 3i3l s GLU 378 CO 0.09 -0.28 0.90 -1.13 0.95 0.00 0.00 175.26 175.79 3i3l n SER 379 N -0.36 0.56 -0.32 0.83 3.41 -1.26 -4.74 113.62 111.75 3i3l n SER 379 Ca -0.06 0.83 0.20 0.00 -0.26 0.00 0.00 58.87 59.57 3i3l n SER 379 Cb 0.61 -1.35 0.39 0.00 -0.26 0.00 0.00 64.21 63.60 3i3l n SER 379 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i3l h ASP 380 N 0.61 0.02 -0.07 4.04 3.32 -2.02 -1.83 116.42 120.49 3i3l h ASP 380 Ca -0.47 0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.59 3i3l h ASP 380 Cb 1.37 0.31 0.01 0.00 0.22 0.00 0.00 39.33 41.24 3i3l h ASP 380 CO 0.51 -0.27 -0.79 0.44 -1.72 0.00 0.00 179.24 177.40 3i3l h ASP 381 N 0.12 0.83 -0.61 6.45 3.32 -2.00 -1.53 116.42 123.01 3i3l h ASP 381 Ca 0.66 -0.68 0.07 0.00 0.02 0.00 0.00 57.03 57.10 3i3l h ASP 381 Cb 1.50 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 3i3l h ASP 381 CO -0.75 1.39 0.40 0.44 -1.72 0.00 0.00 179.24 179.00 3i3l h ASP 382 N 0.33 0.48 0.15 6.45 5.19 -1.70 -1.41 116.42 125.91 3i3l h ASP 382 Ca -0.08 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.06 3i3l h ASP 382 Cb 1.45 -0.10 0.03 0.00 0.18 0.00 0.00 39.33 40.89 3i3l h ASP 382 CO 0.16 0.31 -1.16 -0.09 -3.12 0.00 0.00 179.24 175.34 3i3l h ARG 383 N 0.54 0.52 -0.09 3.56 2.43 -1.19 0.62 114.38 120.77 3i3l h ARG 383 Ca 0.27 -0.76 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3i3l h ARG 383 Cb 0.35 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3i3l h ARG 383 CO -0.08 1.35 0.01 -0.07 -1.51 0.00 0.00 179.97 179.66 3i3l h LEU 384 N 0.08 0.15 -0.71 3.80 4.07 -1.24 -2.53 115.31 118.93 3i3l h LEU 384 Ca -0.19 -0.29 0.14 0.00 0.08 0.00 0.00 57.88 57.63 3i3l h LEU 384 Cb 1.87 -0.04 -0.13 0.00 1.08 0.00 0.00 40.66 43.44 3i3l h LEU 384 CO 0.22 0.40 -0.19 0.74 -1.08 0.00 0.00 178.44 178.53 3i3l h THR 385 N -0.10 0.28 -0.29 0.22 2.02 -1.34 -1.33 112.91 112.37 3i3l h THR 385 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 3i3l h THR 385 Cb 0.32 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3i3l h THR 385 CO 0.00 0.00 0.28 -0.09 0.37 0.00 0.00 175.52 176.08 3i3l h ARG 386 N -0.01 0.00 -2.39 6.66 2.43 -0.46 1.18 114.38 121.79 3i3l h ARG 386 Ca 0.33 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 3i3l h ARG 386 Cb 0.52 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3i3l h ARG 386 CO -0.73 0.00 0.03 1.17 -1.51 0.00 0.00 179.97 178.93 3i3l n LYS 387 N -3.95 0.94 0.00 0.20 4.81 -0.50 -0.27 118.16 119.39 3i3l n LYS 387 Ca 0.04 -0.42 0.13 0.00 -0.87 0.00 0.00 58.31 57.19 3i3l n LYS 387 Cb 0.43 -1.66 0.56 0.00 0.02 0.00 0.00 35.03 34.38 3i3l n LYS 387 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i3l n LYS 388 N 2.55 0.03 0.05 1.64 0.00 0.41 -4.24 118.16 118.59 3i3l n LYS 388 Ca 0.18 0.05 -0.11 0.00 0.00 0.00 0.00 58.31 58.43 3i3l n LYS 388 Cb 0.43 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.97 3i3l n LYS 388 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 3i3l h TRP 389 N 0.00 0.57 0.00 5.64 7.01 -0.87 -3.30 115.95 125.01 3i3l h TRP 389 Ca 0.00 -0.27 0.00 0.00 2.11 0.00 0.00 58.89 60.73 3i3l h TRP 389 Cb 0.44 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 3i3l h TRP 389 CO 0.00 1.04 0.49 0.34 -2.79 0.00 0.00 178.44 177.52 3i3l n PHE 390 N -3.82 0.11 -2.67 2.65 -0.00 -1.26 -2.64 117.46 109.83 3i3l n PHE 390 Ca -0.05 0.06 -0.09 0.00 -0.00 0.00 0.00 57.45 57.37 3i3l n PHE 390 Cb 0.74 -0.22 0.04 0.00 -0.00 0.00 0.00 39.48 40.04 3i3l n PHE 390 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i3l n GLU 391 N -1.57 1.14 0.00 -4.13 -0.00 -1.24 -5.20 120.64 109.64 3i3l n GLU 391 Ca -0.00 -3.10 0.00 0.00 -0.00 0.00 0.00 57.16 54.05 3i3l n GLU 391 Cb 0.49 -1.13 0.00 0.00 -0.00 0.00 0.00 31.44 30.81 3i3l n GLU 391 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3i3l n SER 392 N -0.11 0.00 0.00 -1.84 7.64 -1.08 -5.13 113.62 113.10 3i3l n SER 392 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3i3l n SER 392 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 3i3l n SER 392 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i3l n PHE 408 N 0.00 0.00 -0.02 1.43 0.99 -1.26 -4.98 117.46 113.62 3i3l n PHE 408 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 3i3l n PHE 408 Cb 0.00 -0.30 -0.07 0.00 -1.00 0.00 0.00 39.48 38.11 3i3l n PHE 408 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i3l n ARG 409 N -2.29 1.00 0.01 -1.08 0.63 -1.26 -2.20 116.66 111.47 3i3l n ARG 409 Ca 0.00 -0.06 -0.07 0.00 -0.92 0.00 0.00 57.85 56.80 3i3l n ARG 409 Cb 0.00 -1.23 -0.12 0.00 0.45 0.00 0.00 32.46 31.56 3i3l n ARG 409 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3i3l h ASP 410 N 0.00 0.00 -0.09 6.15 1.82 -2.01 -2.71 116.42 119.57 3i3l h ASP 410 Ca -0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 3i3l h ASP 410 Cb 0.79 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 3i3l h ASP 410 CO 0.00 0.92 0.02 -0.09 -1.61 0.00 0.00 179.24 178.48 3i3l h ARG 411 N 0.00 0.23 0.05 0.28 2.43 -1.97 0.53 114.38 115.92 3i3l h ARG 411 Ca -0.20 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.63 3i3l h ARG 411 Cb 1.88 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.34 3i3l h ARG 411 CO 0.08 0.24 -1.81 0.00 -1.51 0.00 0.00 179.97 176.97 3i3l n ALA 412 N -2.50 1.25 -0.03 2.80 0.00 -0.93 -2.78 120.51 118.31 3i3l n ALA 412 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 53.44 52.78 3i3l n ALA 412 Cb 0.15 -0.80 0.39 0.00 0.00 0.00 0.00 19.45 19.20 3i3l n ALA 412 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i3l h SER 413 N 0.03 0.52 0.27 0.00 0.87 -1.20 -2.06 113.55 111.98 3i3l h SER 413 Ca -0.34 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 3i3l h SER 413 Cb 2.02 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 3i3l h SER 413 CO 0.09 0.39 -0.13 0.74 -0.53 0.00 0.00 176.83 177.39 3i3l h THR 414 N 0.61 0.75 -0.59 2.23 2.02 -0.89 -2.32 112.91 114.71 3i3l h THR 414 Ca 0.16 -0.68 0.11 0.00 0.77 0.00 0.00 66.41 66.77 3i3l h THR 414 Cb -0.05 1.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 3i3l h THR 414 CO -0.03 0.13 0.13 0.24 0.37 0.00 0.00 175.52 176.36 3i3l h MET 415 N -0.74 0.25 -0.18 6.66 2.86 -1.34 -0.97 114.93 121.47 3i3l h MET 415 Ca -0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3i3l h MET 415 Cb 0.50 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3i3l h MET 415 CO 0.06 0.17 0.06 0.82 1.06 0.00 0.00 176.91 179.08 3i3l h ILE 416 N 0.26 1.18 0.07 -1.22 2.04 -1.36 -0.78 117.51 117.70 3i3l h ILE 416 Ca 0.31 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3i3l h ILE 416 Cb 0.45 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3i3l h ILE 416 CO -0.39 0.17 -0.12 0.00 0.00 0.00 0.00 178.15 177.81 3i3l h ALA 417 N 0.89 -0.20 -0.76 1.87 0.00 -1.01 -0.79 119.26 119.27 3i3l h ALA 417 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3i3l h ALA 417 Cb 0.21 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3i3l h ALA 417 CO -0.00 -0.64 0.44 0.82 0.00 0.00 0.00 179.25 179.87 3i3l h ILE 418 N -0.24 0.97 -0.07 0.00 2.04 -1.04 -2.62 117.51 116.56 3i3l h ILE 418 Ca 0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3i3l h ILE 418 Cb 0.26 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3i3l h ILE 418 CO -0.07 0.14 0.00 0.61 0.00 0.00 0.00 178.15 178.83 3i3l n GLY 419 N -1.31 -0.33 3.68 5.37 0.00 -0.31 -4.65 105.19 107.64 3i3l n GLY 419 Ca 0.11 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3i3l n GLY 419 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i3l s ARG 420 N -1.92 4.17 0.66 1.61 3.52 -0.33 -0.90 118.95 125.76 3i3l s ARG 420 Ca 0.34 2.40 -0.17 0.00 -0.13 0.00 0.00 55.73 58.16 3i3l s ARG 420 Cb 0.17 -3.77 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3i3l s ARG 420 CO 0.27 -0.81 1.22 -1.01 -0.81 0.00 0.00 175.30 174.16 3i3l s HIS 421 N 3.25 2.21 -0.36 5.12 3.76 -0.40 -4.85 115.29 124.02 3i3l s HIS 421 Ca 0.78 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 57.26 3i3l s HIS 421 Cb -0.40 -3.51 0.54 0.00 1.11 0.00 0.00 32.58 30.31 3i3l s HIS 421 CO 0.34 -2.49 1.71 1.04 -0.85 0.00 0.00 174.74 174.49 3i3l n GLN 422 N -2.09 2.10 -3.85 1.40 1.13 -1.26 -4.82 117.38 109.99 3i3l n GLN 422 Ca 0.14 -2.38 -0.10 0.00 -1.94 0.00 0.00 57.00 52.72 3i3l n GLN 422 Cb 0.50 -1.94 -0.06 0.00 0.11 0.00 0.00 30.24 28.85 3i3l n GLN 422 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3i3l s ARG 423 N -2.59 1.21 0.46 -1.09 1.70 -1.26 -5.07 118.95 112.30 3i3l s ARG 423 Ca 0.45 -1.01 0.26 0.00 -0.47 0.00 0.00 55.73 54.96 3i3l s ARG 423 Cb 0.38 0.43 0.91 0.00 -0.57 0.00 0.00 34.95 36.10 3i3l s ARG 423 CO 0.09 -0.47 1.81 -1.35 -1.08 0.00 0.00 175.30 174.30 3i3l h PRO 424 N 2.42 0.00 -5.15 3.89 0.11 -1.96 -3.42 132.00 127.90 3i3l h PRO 424 Ca -0.31 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.39 3i3l h PRO 424 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 3i3l h PRO 424 CO 0.45 0.16 -0.65 -1.83 -0.21 0.00 0.00 178.00 175.92 3i3l s GLU 425 N -3.55 1.41 -0.07 1.05 4.04 -1.26 -4.01 118.70 116.31 3i3l s GLU 425 Ca 0.02 -1.73 -0.24 0.00 0.04 0.00 0.00 54.97 53.05 3i3l s GLU 425 Cb 0.09 -0.71 -0.03 0.00 0.02 0.00 0.00 34.13 33.50 3i3l s GLU 425 CO 0.62 -0.10 0.75 -1.17 -1.84 0.00 0.00 175.26 173.52 3i3l s LEU 426 N -3.35 4.30 0.09 1.83 2.96 -1.26 -4.82 118.68 118.42 3i3l s LEU 426 Ca 0.30 1.24 -0.19 0.00 -0.22 0.00 0.00 54.13 55.26 3i3l s LEU 426 Cb 0.06 -3.16 0.04 0.00 0.50 0.00 0.00 46.19 43.63 3i3l s LEU 426 CO 0.10 -0.18 0.45 -0.55 -1.32 0.00 0.00 176.35 174.86 3i3l s SER 427 N 0.88 -0.33 0.00 3.68 0.15 -1.26 -5.01 113.70 111.81 3i3l s SER 427 Ca 0.39 -0.09 0.24 0.00 0.70 0.00 0.00 55.95 57.19 3i3l s SER 427 Cb -0.18 0.48 1.36 0.00 -1.71 0.00 0.00 66.02 65.96 3i3l s SER 427 CO 0.18 -0.79 1.80 -0.67 1.20 0.00 0.00 173.24 174.97 3i3l n ASP 428 N 0.09 0.00 0.30 5.45 -0.08 -1.26 -1.80 116.55 119.25 3i3l n ASP 428 Ca -0.17 -0.50 0.16 0.00 -1.51 0.00 0.00 54.79 52.77 3i3l n ASP 428 Cb 0.62 -0.10 0.97 0.00 2.34 0.00 0.00 41.12 44.95 3i3l n ASP 428 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3i3l h ASP 429 N 0.00 0.00 -2.87 1.67 3.32 -1.98 -3.43 116.42 113.13 3i3l h ASP 429 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3i3l h ASP 429 Cb 0.08 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.67 3i3l h ASP 429 CO 0.00 0.00 0.84 0.12 -1.72 0.00 0.00 179.24 178.49 3i3l s PHE 430 N -4.54 3.10 0.08 4.55 5.36 -0.74 -5.03 117.98 120.76 3i3l s PHE 430 Ca -0.05 0.70 0.06 0.00 -0.96 0.00 0.00 56.93 56.69 3i3l s PHE 430 Cb 0.15 -3.87 -0.03 0.00 -0.34 0.00 0.00 43.02 38.93 3i3l s PHE 430 CO 0.52 -3.18 -0.17 -1.54 -1.46 0.00 0.00 175.22 169.39 3i3l s SER 431 N 1.12 2.04 0.55 6.13 1.04 -1.26 -3.93 113.70 119.39 3i3l s SER 431 Ca 0.69 -0.61 0.31 0.00 0.48 0.00 0.00 55.95 56.81 3i3l s SER 431 Cb -0.42 -0.10 1.58 0.00 0.10 0.00 0.00 66.02 67.17 3i3l s SER 431 CO 0.31 0.00 2.10 -0.33 0.98 0.00 0.00 173.24 176.30 3i3l h GLU 432 N 4.34 0.00 0.00 4.02 5.08 -1.95 -1.87 114.58 124.20 3i3l h GLU 432 Ca -0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 3i3l h GLU 432 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3i3l h GLU 432 CO 0.41 0.08 -0.19 0.00 -1.00 0.00 0.00 179.01 178.31 3i3l h ALA 433 N 1.92 1.30 0.00 3.43 0.00 -2.01 -1.62 119.26 122.27 3i3l h ALA 433 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i3l h ALA 433 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i3l h ALA 433 CO 0.01 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 178.65 3i3l n GLU 434 N -3.76 0.04 0.06 0.00 0.28 -0.70 -1.33 120.64 115.23 3i3l n GLU 434 Ca -0.02 0.40 0.12 0.00 -0.16 0.00 0.00 57.16 57.51 3i3l n GLU 434 Cb 0.30 -1.60 0.17 0.00 1.43 0.00 0.00 31.44 31.73 3i3l n GLU 434 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i3l n LEU 435 N -1.69 0.69 -0.03 -1.84 4.77 -0.61 -4.35 117.00 113.94 3i3l n LEU 435 Ca 0.02 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 3i3l n LEU 435 Cb 0.11 -0.18 0.42 0.00 -2.33 0.00 0.00 43.42 41.43 3i3l n LEU 435 CO 0.09 -0.05 1.17 0.78 -1.33 0.00 0.00 177.39 178.06 3i3l h ASN 436 N 0.00 0.49 -0.34 -1.43 -0.26 -1.31 -2.33 115.58 110.40 3i3l h ASN 436 Ca 0.00 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 3i3l h ASN 436 Cb 0.74 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3i3l h ASN 436 CO 0.00 0.35 -0.21 -0.65 -1.06 0.00 0.00 177.43 175.86 3i3l h PRO 437 N 0.58 0.75 -0.37 0.81 0.11 -1.78 -1.20 132.00 130.90 3i3l h PRO 437 Ca 0.17 -0.35 -0.09 0.00 0.11 0.00 0.00 66.00 65.85 3i3l h PRO 437 Cb -0.01 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3i3l h PRO 437 CO -0.04 0.96 -0.12 0.00 -0.21 0.00 0.00 178.00 178.59 3i3l h ALA 438 N 0.77 1.09 -0.03 -0.75 0.00 -1.79 0.10 119.26 118.66 3i3l h ALA 438 Ca 0.07 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3i3l h ALA 438 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3i3l h ALA 438 CO 0.06 0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 3i3l h ARG 439 N 0.60 -0.19 -0.35 0.00 3.08 -1.27 -1.32 114.38 114.92 3i3l h ARG 439 Ca 0.10 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 3i3l h ARG 439 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3i3l h ARG 439 CO 0.03 -0.12 -0.26 0.28 -1.07 0.00 0.00 179.97 178.83 3i3l h VAL 440 N -0.19 1.27 -0.67 2.04 2.07 -0.69 -1.32 116.25 118.77 3i3l h VAL 440 Ca 0.05 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3i3l h VAL 440 Cb 0.26 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3i3l h VAL 440 CO -0.14 0.45 0.40 -0.09 0.02 0.00 0.00 177.57 178.22 3i3l h ARG 441 N 0.62 0.90 -0.32 1.57 2.43 -0.62 0.27 114.38 119.23 3i3l h ARG 441 Ca 0.08 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3i3l h ARG 441 Cb 0.77 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3i3l h ARG 441 CO 0.06 0.63 -0.03 2.35 -1.51 0.00 0.00 179.97 181.48 3i3l h TRP 442 N 0.92 0.65 -0.54 2.20 7.01 -0.19 -0.86 115.95 125.15 3i3l h TRP 442 Ca 0.24 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 61.13 3i3l h TRP 442 Cb -0.04 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 3i3l h TRP 442 CO 0.00 0.73 0.35 0.82 -2.79 0.00 0.00 178.44 177.55 3i3l h ILE 443 N 0.38 1.12 -0.30 2.65 2.04 -0.43 0.12 117.51 123.09 3i3l h ILE 443 Ca 0.09 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3i3l h ILE 443 Cb 0.49 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3i3l h ILE 443 CO 0.02 0.13 0.00 0.28 0.00 0.00 0.00 178.15 178.58 3i3l h SER 444 N 0.71 0.43 -0.40 1.72 0.02 -0.40 0.22 113.55 115.84 3i3l h SER 444 Ca 0.20 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 3i3l h SER 444 Cb -0.06 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3i3l h SER 444 CO -0.05 0.49 -0.31 -0.78 -1.14 0.00 0.00 176.83 175.04 3i3l h ASP 445 N 0.45 0.96 -0.39 3.07 -0.00 -0.46 -0.31 116.42 119.73 3i3l h ASP 445 Ca 0.10 -0.44 -0.02 0.00 -0.00 0.00 0.00 57.03 56.67 3i3l h ASP 445 Cb 0.29 -0.27 -0.02 0.00 -0.00 0.00 0.00 39.33 39.33 3i3l h ASP 445 CO 0.01 1.20 0.19 0.25 -0.00 0.00 0.00 179.24 180.88 3i3l h LEU 446 N 0.73 0.52 -0.51 2.28 6.46 -0.48 -0.97 115.31 123.34 3i3l h LEU 446 Ca 0.07 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 3i3l h LEU 446 Cb 0.89 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 3i3l h LEU 446 CO 0.08 0.50 0.27 0.74 -0.62 0.00 0.00 178.44 179.41 3i3l h THR 447 N 0.50 1.18 -0.72 1.05 2.02 -0.47 -1.64 112.91 114.82 3i3l h THR 447 Ca 0.13 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.86 3i3l h THR 447 Cb 0.13 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 3i3l h THR 447 CO -0.02 0.20 0.48 0.50 0.37 0.00 0.00 175.52 177.05 3i3l h LYS 448 N 0.67 0.88 -0.02 6.66 3.64 -0.88 -2.26 116.57 125.27 3i3l h LYS 448 Ca 0.18 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3i3l h LYS 448 Cb 0.07 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3i3l h LYS 448 CO -0.03 0.58 -0.30 0.00 -2.27 0.00 0.00 179.45 177.44 3i3l h ARG 449 N 0.91 0.24 -0.87 1.90 3.08 -0.60 -2.74 114.38 116.30 3i3l h ARG 449 Ca 0.28 -0.23 0.05 0.00 0.07 0.00 0.00 59.98 60.15 3i3l h ARG 449 Cb 0.01 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3i3l h ARG 449 CO -0.07 0.93 0.55 -0.07 -1.07 0.00 0.00 179.97 180.23 3i3l h LEU 450 N -0.37 0.89 -1.42 3.04 3.38 -1.33 -1.82 115.31 117.69 3i3l h LEU 450 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3i3l h LEU 450 Cb 1.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3i3l h LEU 450 CO 0.06 0.59 -0.27 0.78 0.09 0.00 0.00 178.44 179.70 3i3l h ASN 451 N 1.04 0.00 0.32 -0.43 -0.26 -1.39 -2.11 115.58 112.75 3i3l h ASN 451 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 3i3l h ASN 451 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3i3l h ASN 451 CO -0.15 0.27 0.00 -1.54 -1.06 0.00 0.00 177.43 174.95 3i3l n SER 452 N -3.78 0.00 -4.50 5.81 3.41 -0.69 -4.70 113.62 109.17 3i3l n SER 452 Ca -0.01 -0.44 -0.43 0.00 -0.26 0.00 0.00 58.87 57.72 3i3l n SER 452 Cb 0.37 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3i3l n SER 452 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i3l s ILE 453 N -2.34 4.40 -0.69 -1.33 1.01 -0.79 -3.70 121.20 117.76 3i3l s ILE 453 Ca 0.34 0.12 0.21 0.00 0.00 0.00 0.00 60.65 61.32 3i3l s ILE 453 Cb 0.20 -4.55 -0.26 0.00 0.01 0.00 0.00 42.46 37.86 3i3l s ILE 453 CO 0.40 -1.16 0.78 0.35 0.00 0.00 0.00 174.94 175.31 3i3l n THR 454 N 6.11 0.01 -3.72 2.92 -2.24 -0.72 -1.36 114.28 115.28 3i3l n THR 454 Ca 0.00 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 3i3l n THR 454 Cb 0.47 0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 69.21 3i3l n THR 454 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i3l s ARG 455 N -3.17 0.07 -0.03 -0.78 3.52 -1.10 -3.29 118.95 114.18 3i3l s ARG 455 Ca 0.03 0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 3i3l s ARG 455 Cb 0.15 -0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 3i3l s ARG 455 CO 0.88 -0.22 0.03 -0.06 -0.81 0.00 0.00 175.30 175.12 3i3l s PHE 456 N 1.61 3.19 0.02 5.12 0.08 -0.30 -1.02 117.98 126.68 3i3l s PHE 456 Ca -0.04 0.17 0.06 0.00 0.12 0.00 0.00 56.93 57.23 3i3l s PHE 456 Cb -0.12 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3i3l s PHE 456 CO -0.06 0.50 -0.15 0.15 -0.10 0.00 0.00 175.22 175.57 3i3l s LYS 457 N -1.44 2.25 0.07 0.44 1.02 -0.44 -4.30 119.74 117.33 3i3l s LYS 457 Ca 0.19 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 3i3l s LYS 457 Cb -0.12 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 3i3l s LYS 457 CO 0.09 0.57 0.24 -0.46 -0.92 0.00 0.00 175.35 174.87 3i3l s TRP 458 N -0.92 3.52 -0.36 3.18 -0.11 -1.26 -1.82 118.94 121.17 3i3l s TRP 458 Ca 0.15 0.31 -0.19 0.00 1.22 0.00 0.00 56.10 57.59 3i3l s TRP 458 Cb -0.11 -1.81 0.00 0.00 -1.50 0.00 0.00 33.47 30.06 3i3l s TRP 458 CO 0.05 0.57 0.58 0.99 -4.62 0.00 0.00 176.95 174.52 3i3l s THR 459 N -1.52 4.94 0.00 5.86 2.01 -0.96 -4.82 115.64 121.15 3i3l s THR 459 Ca 0.35 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.79 3i3l s THR 459 Cb -0.13 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3i3l s THR 459 CO 0.27 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 3i3l n GLY 460 N 4.75 -3.72 0.38 4.40 0.00 -1.26 -4.77 105.19 104.97 3i3l n GLY 460 Ca -0.03 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.10 3i3l n GLY 460 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 461 N -0.28 -0.34 3.25 -0.02 0.00 -1.26 -4.98 105.19 101.56 3i3l n GLY 461 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 3i3l n GLY 461 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3l s LYS 462 N -0.99 1.72 -0.24 1.61 -2.85 -1.26 -4.94 119.74 112.78 3i3l s LYS 462 Ca 0.11 -0.84 -0.05 0.00 -1.00 0.00 0.00 55.97 54.19 3i3l s LYS 462 Cb 0.09 -1.71 -0.00 0.00 -2.06 0.00 0.00 37.83 34.14 3i3l s LYS 462 CO 0.16 0.46 -0.00 0.00 0.10 0.00 0.00 175.35 176.07 3i3l s ALA 463 N -0.59 2.90 0.17 0.59 0.00 -1.26 -3.74 121.76 119.82 3i3l s ALA 463 Ca 0.09 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.86 3i3l s ALA 463 Cb -0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3i3l s ALA 463 CO -0.00 -0.59 -0.14 0.14 0.00 0.00 0.00 175.76 175.17 3i3l s VAL 464 N 1.48 1.55 -0.04 0.00 -7.23 0.52 -4.80 120.40 111.88 3i3l s VAL 464 Ca 0.04 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 57.98 3i3l s VAL 464 Cb -0.15 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 3i3l s VAL 464 CO -0.01 -0.54 0.59 -0.76 -0.31 0.00 0.00 175.10 174.06 3i3l s LEU 465 N -2.99 4.37 0.10 1.32 1.43 -1.26 -0.16 118.68 121.48 3i3l s LEU 465 Ca 0.17 1.09 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 3i3l s LEU 465 Cb -0.02 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 3i3l s LEU 465 CO 0.05 0.04 -0.18 -0.75 0.23 0.00 0.00 176.35 175.74 3i3l s LYS 466 N 0.15 1.03 0.27 1.70 2.20 0.08 -4.93 119.74 120.25 3i3l s LYS 466 Ca 0.31 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 3i3l s LYS 466 Cb -0.17 -1.18 -0.09 0.00 -1.51 0.00 0.00 37.83 34.87 3i3l s LYS 466 CO 0.16 0.27 1.05 -1.14 -0.36 0.00 0.00 175.35 175.32 3i3l s GLN 467 N -1.97 4.70 0.09 4.03 2.00 -1.26 -0.08 119.66 127.15 3i3l s GLN 467 Ca 0.05 1.70 -0.14 0.00 -2.00 0.00 0.00 55.36 54.97 3i3l s GLN 467 Cb -0.09 -3.20 0.02 0.00 0.80 0.00 0.00 33.01 30.54 3i3l s GLN 467 CO 0.04 0.30 0.33 -1.58 -0.50 0.00 0.00 175.29 173.88 3i3l s HIS 468 N -1.18 -0.11 0.15 1.67 2.46 0.95 -4.86 115.29 114.37 3i3l s HIS 468 Ca 0.44 -0.15 0.05 0.00 0.47 0.00 0.00 55.06 55.86 3i3l s HIS 468 Cb -0.30 0.15 -0.04 0.00 -0.13 0.00 0.00 32.58 32.26 3i3l s HIS 468 CO 0.38 -0.60 0.09 0.71 -2.47 0.00 0.00 174.74 172.85 3i3l s TYR 469 N -3.36 3.09 -0.12 3.88 2.02 -1.26 -0.23 117.35 121.37 3i3l s TYR 469 Ca 0.00 -0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 56.59 3i3l s TYR 469 Cb 0.02 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3i3l s TYR 469 CO -0.09 0.52 0.30 0.50 -1.57 0.00 0.00 175.55 175.21 3i3l s ARG 470 N -2.91 0.31 -0.20 -0.62 3.00 -0.23 -4.92 118.95 113.39 3i3l s ARG 470 Ca 0.30 0.49 -0.29 0.00 -1.00 0.00 0.00 55.73 55.23 3i3l s ARG 470 Cb -0.10 0.06 -0.00 0.00 0.00 0.00 0.00 34.95 34.91 3i3l s ARG 470 CO 0.22 -0.09 1.17 0.08 0.00 0.00 0.00 175.30 176.68 3i3l s VAL 471 N 0.61 4.45 0.07 7.11 1.01 -1.26 -0.89 120.40 131.50 3i3l s VAL 471 Ca -0.04 1.75 -0.31 0.00 0.00 0.00 0.00 61.98 63.39 3i3l s VAL 471 Cb -0.05 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3i3l s VAL 471 CO -0.04 -0.17 1.55 -0.70 0.00 0.00 0.00 175.10 175.75 3i3l s GLU 472 N 3.39 4.23 0.33 2.72 -6.30 -0.08 -4.92 118.70 118.07 3i3l s GLU 472 Ca 0.50 2.22 0.11 0.00 -2.50 0.00 0.00 54.97 55.29 3i3l s GLU 472 Cb -0.19 -3.51 0.56 0.00 0.00 0.00 0.00 34.13 31.00 3i3l s GLU 472 CO 0.11 -0.65 1.74 -1.00 0.02 0.00 0.00 175.26 175.48 3i3l h PRO 473 N 7.88 0.05 0.12 4.30 0.13 -1.95 0.25 132.00 142.79 3i3l h PRO 473 Ca -0.41 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 3i3l h PRO 473 Cb 1.20 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 3i3l h PRO 473 CO 0.91 0.49 -0.71 0.82 -0.23 0.00 0.00 178.00 179.29 3i3l h ILE 474 N 0.04 1.55 -0.00 -3.56 2.04 -1.96 -3.38 117.51 112.24 3i3l h ILE 474 Ca 0.00 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.35 3i3l h ILE 474 Cb 0.81 3.23 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 3i3l h ILE 474 CO 0.06 0.70 -0.51 0.61 0.00 0.00 0.00 178.15 179.01 3i3l n GLY 475 N 1.66 -0.18 2.22 5.37 0.00 -1.24 -4.98 105.19 108.04 3i3l n GLY 475 Ca -0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 3i3l n GLY 475 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i3l n PHE 476 N -0.96 0.00 -2.47 1.61 3.72 0.08 -4.86 117.46 114.57 3i3l n PHE 476 Ca 0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.10 3i3l n PHE 476 Cb 0.23 -0.81 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 3i3l n PHE 476 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3i3l s ARG 477 N -1.25 3.85 -0.30 -1.08 1.81 -1.26 -4.52 118.95 116.20 3i3l s ARG 477 Ca 0.00 1.16 -0.24 0.00 -1.72 0.00 0.00 55.73 54.93 3i3l s ARG 477 Cb 0.00 -2.11 0.00 0.00 -0.45 0.00 0.00 34.95 32.39 3i3l s ARG 477 CO 0.00 -0.37 0.83 -1.17 -0.68 0.00 0.00 175.30 173.92 3i3l s LEU 478 N -3.77 4.07 0.10 2.53 2.96 -1.26 -0.90 118.68 122.42 3i3l s LEU 478 Ca 0.63 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3i3l s LEU 478 Cb -0.13 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 3i3l s LEU 478 CO 0.25 -0.64 0.01 -1.61 -1.32 0.00 0.00 176.35 173.03 3i3l s GLU 479 N 3.04 2.55 0.29 1.98 2.02 -0.07 -4.91 118.70 123.60 3i3l s GLU 479 Ca 0.34 -0.87 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 3i3l s GLU 479 Cb -0.14 -2.53 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 3i3l s GLU 479 CO 0.12 0.53 0.95 -0.65 0.02 0.00 0.00 175.26 176.23 3i3l s GLN 480 N -2.43 4.67 -0.04 1.61 -0.21 -1.26 -1.06 119.66 120.94 3i3l s GLN 480 Ca 0.26 1.42 -0.09 0.00 0.02 0.00 0.00 55.36 56.97 3i3l s GLN 480 Cb -0.11 -2.98 0.01 0.00 1.00 0.00 0.00 33.01 30.93 3i3l s GLN 480 CO 0.19 0.35 0.21 -0.98 -2.12 0.00 0.00 175.29 172.93 3i3l s ARG 481 N -1.73 0.42 -0.23 2.91 3.03 0.68 -4.91 118.95 119.11 3i3l s ARG 481 Ca 0.47 -0.05 -0.11 0.00 2.03 0.00 0.00 55.73 58.07 3i3l s ARG 481 Cb -0.22 0.19 -0.05 0.00 -1.03 0.00 0.00 34.95 33.84 3i3l s ARG 481 CO 0.28 -0.09 0.16 -1.21 -1.13 0.00 0.00 175.30 173.31 3i3l s GLU 482 N -0.71 4.10 0.28 3.89 2.02 -1.26 -0.03 118.70 126.97 3i3l s GLU 482 Ca -0.08 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 54.76 3i3l s GLU 482 Cb -0.05 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3i3l s GLU 482 CO 0.01 0.10 0.03 0.14 0.02 0.00 0.00 175.26 175.56 3i3l s VAL 483 N 0.94 3.43 0.17 2.63 -7.23 0.88 -1.15 120.40 120.07 3i3l s VAL 483 Ca 0.08 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 3i3l s VAL 483 Cb -0.13 -2.89 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 3i3l s VAL 483 CO 0.03 -0.34 1.33 -0.76 -0.31 0.00 0.00 175.10 175.05 3i3l s LEU 484 N -3.71 4.40 0.19 1.32 1.43 -1.26 -0.74 118.68 120.32 3i3l s LEU 484 Ca 0.32 2.37 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 3i3l s LEU 484 Cb -0.06 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 3i3l s LEU 484 CO 0.20 -0.57 0.26 0.00 0.23 0.00 0.00 176.35 176.48 3i3l s ALA 485 N 0.43 0.36 0.65 4.21 0.00 0.77 -1.92 121.76 126.25 3i3l s ALA 485 Ca 0.59 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3i3l s ALA 485 Cb -0.36 1.06 0.12 0.00 0.00 0.00 0.00 23.12 23.93 3i3l s ALA 485 CO 0.36 -0.67 0.86 0.27 0.00 0.00 0.00 175.76 176.58 3i3l n ASN 486 N -0.26 1.49 0.29 0.00 2.04 -0.51 -0.36 115.26 117.95 3i3l n ASN 486 Ca -0.03 -2.18 0.16 0.00 -0.44 0.00 0.00 54.58 52.10 3i3l n ASN 486 Cb 0.64 -0.52 0.88 0.00 -2.53 0.00 0.00 39.78 38.24 3i3l n ASN 486 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 3i3l h GLY 487 N -0.33 0.00 -3.72 4.83 0.00 -1.87 -2.50 103.07 99.49 3i3l h GLY 487 Ca -0.29 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.52 3i3l h GLY 487 CO 0.34 0.00 0.55 1.18 0.00 0.00 0.00 176.54 178.61 3i3l n GLU 488 N -3.45 2.40 0.00 4.80 4.71 -1.26 -4.92 120.64 122.92 3i3l n GLU 488 Ca -0.02 -3.18 0.00 0.00 -0.01 0.00 0.00 57.16 53.95 3i3l n GLU 488 Cb 0.18 -2.17 0.00 0.00 -1.01 0.00 0.00 31.44 28.44 3i3l n GLU 488 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i3l n GLY 489 N -1.05 1.75 3.61 0.62 0.00 -0.94 -4.95 105.19 104.23 3i3l n GLY 489 Ca 0.56 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.12 3i3l n GLY 489 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3l n LEU 490 N 0.00 2.07 -4.16 0.99 4.77 -1.26 -4.76 117.00 114.64 3i3l n LEU 490 Ca 0.00 1.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.99 3i3l n LEU 490 Cb 0.00 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 39.72 3i3l n LEU 490 CO 0.00 -1.10 -0.01 1.51 -1.33 0.00 0.00 177.39 176.46 3i3l s ASP 491 N -0.10 0.87 -0.29 -1.43 3.84 -1.26 -1.43 116.67 116.87 3i3l s ASP 491 Ca 0.67 -1.49 -0.02 0.00 -0.00 0.00 0.00 52.55 51.71 3i3l s ASP 491 Cb -0.75 0.56 0.10 0.00 -1.38 0.00 0.00 42.92 41.45 3i3l s ASP 491 CO 0.54 -1.11 0.11 -0.32 -0.00 0.00 0.00 175.17 174.38 3i3l s MET 492 N -3.51 0.48 0.00 2.11 -2.45 -0.81 -4.84 119.30 110.27 3i3l s MET 492 Ca 0.34 -0.77 0.25 0.00 -1.25 0.00 0.00 55.69 54.27 3i3l s MET 492 Cb 0.02 -1.65 0.58 0.00 1.25 0.00 0.00 34.83 35.02 3i3l s MET 492 CO 0.19 -0.96 1.46 0.00 1.05 0.00 0.00 175.02 176.77 3i3l n ALA 493 N 5.04 3.43 0.47 4.11 0.00 -1.26 -3.98 120.51 128.32 3i3l n ALA 493 Ca -0.04 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.17 3i3l n ALA 493 Cb 0.43 -1.15 0.42 0.00 0.00 0.00 0.00 19.45 19.15 3i3l n ALA 493 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i3l n GLN 494 N -1.49 0.11 -4.21 0.00 3.00 -1.26 -4.74 117.38 108.81 3i3l n GLN 494 Ca 0.06 0.33 -0.17 0.00 -0.01 0.00 0.00 57.00 57.21 3i3l n GLN 494 Cb 0.34 -1.71 -0.15 0.00 0.00 0.00 0.00 30.24 28.72 3i3l n GLN 494 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3i3l s TYR 495 N -3.17 0.59 -0.02 1.08 2.02 -1.26 -5.14 117.35 111.45 3i3l s TYR 495 Ca 0.06 -0.12 -0.28 0.00 -0.37 0.00 0.00 57.07 56.36 3i3l s TYR 495 Cb 0.10 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.21 3i3l s TYR 495 CO 0.36 -0.04 0.89 -1.25 -1.57 0.00 0.00 175.55 173.93 3i3l s PRO 496 N 0.05 4.52 0.29 -1.71 0.05 -1.26 -4.50 135.00 132.45 3i3l s PRO 496 Ca -0.00 1.24 0.06 0.00 0.05 0.00 0.00 61.00 62.35 3i3l s PRO 496 Cb -0.05 -3.45 -0.06 0.00 0.05 0.00 0.00 34.50 30.99 3i3l s PRO 496 CO -0.00 -0.01 -0.04 -1.64 0.05 0.00 0.00 177.00 175.36 3i3l s MET 497 N 0.93 1.58 0.48 4.56 -1.94 -0.30 -5.02 119.30 119.58 3i3l s MET 497 Ca 0.47 -1.81 0.02 0.00 -1.71 0.00 0.00 55.69 52.66 3i3l s MET 497 Cb -0.20 -1.15 -0.01 0.00 2.01 0.00 0.00 34.83 35.48 3i3l s MET 497 CO 0.25 0.01 0.06 0.16 -0.01 0.00 0.00 175.02 175.48 3i3l s ASP 498 N -3.46 3.64 0.62 3.03 1.47 -1.26 -4.57 116.67 116.14 3i3l s ASP 498 Ca 0.30 -1.69 0.32 0.00 1.18 0.00 0.00 52.55 52.67 3i3l s ASP 498 Cb 0.04 0.57 1.82 0.00 -0.34 0.00 0.00 42.92 45.01 3i3l s ASP 498 CO 0.13 -0.91 2.12 -0.78 0.68 0.00 0.00 175.17 176.40 3i3l h ASP 499 N 1.49 0.00 0.23 2.11 -0.00 -1.99 -0.69 116.42 117.57 3i3l h ASP 499 Ca -0.40 0.00 -0.32 0.00 -0.00 0.00 0.00 57.03 56.30 3i3l h ASP 499 Cb 1.30 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 40.66 3i3l h ASP 499 CO 0.67 0.00 -1.45 -0.08 -0.00 0.00 0.00 179.24 178.37 3i3l h GLU 500 N 0.00 0.49 0.00 0.28 4.81 -2.01 -2.83 114.58 115.33 3i3l h GLU 500 Ca 0.05 -0.84 -0.12 0.00 -0.13 0.00 0.00 59.36 58.33 3i3l h GLU 500 Cb 0.43 0.31 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3i3l h GLU 500 CO -0.00 1.40 -0.55 0.00 -0.73 0.00 0.00 179.01 179.13 3i3l h ALA 501 N 0.13 0.65 -0.89 2.92 0.00 -1.68 -3.06 119.26 117.33 3i3l h ALA 501 Ca -0.26 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 3i3l h ALA 501 Cb 2.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 3i3l h ALA 501 CO 0.24 0.69 0.50 -0.09 0.00 0.00 0.00 179.25 180.59 3i3l h ARG 502 N 0.00 1.23 -0.65 0.00 2.43 -1.18 -2.77 114.38 113.44 3i3l h ARG 502 Ca -0.01 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3i3l h ARG 502 Cb 1.41 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3i3l h ARG 502 CO 0.07 0.89 0.36 1.96 -1.51 0.00 0.00 179.97 181.75 3i3l h GLN 503 N 1.24 0.66 -0.85 0.20 1.08 -1.39 -0.49 115.11 115.56 3i3l h GLN 503 Ca 0.31 -0.04 0.19 0.00 -1.45 0.00 0.00 58.65 57.67 3i3l h GLN 503 Cb 0.01 -0.15 -0.16 0.00 -0.05 0.00 0.00 27.48 27.14 3i3l h GLN 503 CO -0.05 0.43 -0.07 0.82 -0.95 0.00 0.00 178.83 179.01 3i3l h ILE 504 N 0.68 0.19 0.00 2.54 2.04 -1.52 -1.16 117.51 120.27 3i3l h ILE 504 Ca 0.29 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.99 3i3l h ILE 504 Cb 0.16 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3i3l h ILE 504 CO -0.17 0.01 -0.83 -0.26 0.00 0.00 0.00 178.15 176.89 3i3l h PHE 505 N 0.04 0.00 -0.41 1.37 0.04 -1.13 -0.91 116.94 115.95 3i3l h PHE 505 Ca 0.46 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.20 3i3l h PHE 505 Cb 0.80 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 3i3l h PHE 505 CO -0.53 0.63 0.14 0.37 -0.60 0.00 0.00 178.31 178.31 3i3l h GLN 506 N 0.00 0.63 -0.55 1.51 5.75 -0.95 -0.16 115.11 121.34 3i3l h GLN 506 Ca -0.05 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 3i3l h GLN 506 Cb 1.52 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.95 3i3l h GLN 506 CO 0.07 0.62 0.30 -0.44 -2.65 0.00 0.00 178.83 176.73 3i3l h ASP 507 N 0.52 0.69 -0.42 -0.69 3.32 -1.02 -2.16 116.42 116.66 3i3l h ASP 507 Ca 0.13 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3i3l h ASP 507 Cb 0.24 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3i3l h ASP 507 CO -0.01 0.59 0.20 0.25 -1.72 0.00 0.00 179.24 178.55 3i3l h LEU 508 N 0.74 0.27 -1.46 1.55 6.46 -1.01 0.10 115.31 121.96 3i3l h LEU 508 Ca 0.19 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 3i3l h LEU 508 Cb 0.05 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 3i3l h LEU 508 CO -0.03 0.20 0.19 0.00 -0.62 0.00 0.00 178.44 178.17 3i3l h ALA 509 N 1.23 1.59 0.22 1.25 0.00 -0.49 0.24 119.26 123.31 3i3l h ALA 509 Ca 0.18 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 3i3l h ALA 509 Cb 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i3l h ALA 509 CO -0.14 0.33 -1.54 0.93 0.00 0.00 0.00 179.25 178.83 3i3l h GLU 510 N 0.55 0.46 0.00 0.00 5.08 -0.96 -3.40 114.58 116.31 3i3l h GLU 510 Ca 0.14 -0.78 -0.12 0.00 -1.00 0.00 0.00 59.36 57.60 3i3l h GLU 510 Cb 0.07 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3i3l h GLU 510 CO -0.02 1.37 -1.89 0.39 -1.00 0.00 0.00 179.01 177.87 3i3l n GLU 511 N -3.71 0.93 -3.28 2.33 1.02 0.31 -5.01 120.64 113.23 3i3l n GLU 511 Ca -0.20 -0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.62 3i3l n GLU 511 Cb 1.07 -1.39 0.06 0.00 -0.02 0.00 0.00 31.44 31.15 3i3l n GLU 511 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i3l n GLU 512 N -2.29 -6.26 -0.46 3.49 1.02 0.85 -4.99 120.64 111.99 3i3l n GLU 512 Ca -0.13 0.85 -0.28 0.00 -0.02 0.00 0.00 57.16 57.58 3i3l n GLU 512 Cb 0.68 -5.76 0.26 0.00 -0.02 0.00 0.00 31.44 26.61 3i3l n GLU 512 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3i3l n PHE 513 N -4.72 -1.50 -2.79 -0.32 1.16 -1.26 -3.19 117.46 104.85 3i3l n PHE 513 Ca -0.05 -0.20 -0.05 0.00 -1.87 0.00 0.00 57.45 55.27 3i3l n PHE 513 Cb 0.59 -1.66 0.02 0.00 -1.61 0.00 0.00 39.48 36.82 3i3l n PHE 513 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i3l n GLY 514 N 1.15 1.54 0.13 4.97 0.00 -1.21 -1.15 105.19 110.63 3i3l n GLY 514 Ca 0.02 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 43.88 3i3l n GLY 514 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3i3l h TYR 515 N -0.13 -0.15 -0.65 1.61 3.20 -1.49 -2.11 116.97 117.26 3i3l h TYR 515 Ca -0.07 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.92 3i3l h TYR 515 Cb 0.31 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.61 3i3l h TYR 515 CO 0.00 -0.12 0.27 0.87 -1.64 0.00 0.00 178.16 177.54 3i3l h LYS 516 N 0.00 0.44 -0.40 1.82 1.57 -1.89 0.04 116.57 118.15 3i3l h LYS 516 Ca 0.14 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3i3l h LYS 516 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3i3l h LYS 516 CO -0.29 0.29 -0.06 1.15 -0.57 0.00 0.00 179.45 179.98 3i3l h THR 517 N 0.46 1.27 -0.21 -0.16 2.02 -1.88 -2.56 112.91 111.84 3i3l h THR 517 Ca 0.33 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.41 3i3l h THR 517 Cb 0.41 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3i3l h THR 517 CO -0.31 0.38 0.10 0.25 0.37 0.00 0.00 175.52 176.31 3i3l h LEU 518 N 0.57 0.15 -0.61 2.58 5.85 -0.57 -0.83 115.31 122.45 3i3l h LEU 518 Ca 0.11 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3i3l h LEU 518 Cb 0.56 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3i3l h LEU 518 CO 0.03 0.12 0.28 0.58 -0.34 0.00 0.00 178.44 179.11 3i3l h VAL 519 N 0.22 0.87 -0.28 1.05 2.07 -1.01 -0.57 116.25 118.61 3i3l h VAL 519 Ca 0.09 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3i3l h VAL 519 Cb 0.03 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3i3l h VAL 519 CO -0.06 0.09 0.10 0.50 0.02 0.00 0.00 177.57 178.22 3i3l h LYS 520 N 0.51 0.42 -0.77 1.57 3.64 -1.07 -0.17 116.57 120.69 3i3l h LYS 520 Ca 0.29 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3i3l h LYS 520 Cb 0.28 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3i3l h LYS 520 CO -0.24 0.45 0.39 0.00 -2.27 0.00 0.00 179.45 177.78 3i3l h ARG 521 N 0.29 1.10 0.07 1.90 2.47 -0.82 -0.60 114.38 118.78 3i3l h ARG 521 Ca 0.09 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3i3l h ARG 521 Cb 0.20 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3i3l h ARG 521 CO -0.01 0.83 -0.03 -0.07 0.56 0.00 0.00 179.97 181.25 3i3l h LEU 522 N 1.09 -0.08 -0.90 3.04 3.38 -0.80 -2.99 115.31 118.05 3i3l h LEU 522 Ca 0.27 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.18 3i3l h LEU 522 Cb 0.08 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 3i3l h LEU 522 CO -0.04 0.17 0.49 1.23 0.09 0.00 0.00 178.44 180.39 3i3l h GLY 523 N -0.33 1.50 2.00 0.83 0.00 -0.80 0.84 103.07 107.11 3i3l h GLY 523 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3i3l h GLY 523 CO 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.53 3i3l h ALA 524 N 1.58 1.00 -0.11 3.60 0.00 -0.97 -2.09 119.26 122.28 3i3l h ALA 524 Ca 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3i3l h ALA 524 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3i3l h ALA 524 CO -0.36 0.00 -0.09 1.55 0.00 0.00 0.00 179.25 180.35 3i3l n VAL 525 N -2.49 2.13 -0.35 0.00 3.14 0.24 -4.95 118.33 116.06 3i3l n VAL 525 Ca -0.01 -2.40 0.00 0.00 -2.96 0.00 0.00 64.34 58.96 3i3l n VAL 525 Cb 0.07 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 3i3l n VAL 525 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i3l n GLY 526 N -1.12 0.68 1.49 7.55 0.00 -0.78 -4.96 105.19 108.05 3i3l n GLY 526 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3i3l n GLY 526 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3l n ARG 527 N -2.01 2.16 -0.33 1.61 1.74 -0.93 -4.69 116.66 114.21 3i3l n ARG 527 Ca 0.00 -3.11 -0.00 0.00 -0.77 0.00 0.00 57.85 53.97 3i3l n ARG 527 Cb 0.00 -1.95 0.13 0.00 -1.02 0.00 0.00 32.46 29.63 3i3l n ARG 527 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3i3l h GLN 528 N 1.17 1.08 0.00 5.56 -0.00 -1.77 -1.29 115.11 119.86 3i3l h GLN 528 Ca 0.32 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.88 3i3l h GLN 528 Cb 2.02 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.48 29.26 3i3l h GLN 528 CO 0.60 0.71 -0.14 1.05 -0.00 0.00 0.00 178.83 181.05 3i3l h GLU 529 N 1.11 0.00 0.00 0.06 -0.00 -1.96 -3.22 114.58 110.57 3i3l h GLU 529 Ca 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.62 3i3l h GLU 529 Cb 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.79 3i3l h GLU 529 CO -0.14 0.14 -1.33 1.28 -0.00 0.00 0.00 179.01 178.97 3i3l n LEU 530 N -3.16 0.81 -0.29 3.06 7.99 -1.03 -4.70 117.00 119.68 3i3l n LEU 530 Ca 0.03 0.34 0.21 0.00 -0.01 0.00 0.00 56.01 56.58 3i3l n LEU 530 Cb 0.54 0.04 0.40 0.00 -0.11 0.00 0.00 43.42 44.29 3i3l n LEU 530 CO 0.35 0.04 0.82 -1.54 -1.51 0.00 0.00 177.39 175.55 3i3l n SER 531 N -2.80 0.12 -0.13 -1.43 3.41 -0.51 0.12 113.62 112.41 3i3l n SER 531 Ca -0.07 1.46 -0.05 0.00 -0.26 0.00 0.00 58.87 59.95 3i3l n SER 531 Cb 0.74 -0.63 0.14 0.00 -0.26 0.00 0.00 64.21 64.20 3i3l n SER 531 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i3l h THR 532 N 0.00 1.25 -0.16 6.66 2.02 -1.84 -1.63 112.91 119.21 3i3l h THR 532 Ca 0.65 -1.04 -0.21 0.00 0.77 0.00 0.00 66.41 66.58 3i3l h THR 532 Cb 1.57 0.87 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3i3l h THR 532 CO -0.74 0.37 -0.72 1.56 0.37 0.00 0.00 175.52 176.36 3i3l h GLN 533 N 0.78 0.78 -0.29 6.66 7.50 0.64 -2.03 115.11 129.15 3i3l h GLN 533 Ca 0.15 -0.62 0.00 0.00 0.50 0.00 0.00 58.65 58.69 3i3l h GLN 533 Cb 0.47 0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 3i3l h GLN 533 CO 0.02 1.23 0.19 0.82 -1.50 0.00 0.00 178.83 179.59 3i3l h ILE 534 N 0.51 1.08 -0.07 2.54 2.04 -0.98 0.14 117.51 122.77 3i3l h ILE 534 Ca -0.04 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.46 3i3l h ILE 534 Cb 1.35 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3i3l h ILE 534 CO 0.15 0.08 -0.76 -0.37 0.00 0.00 0.00 178.15 177.25 3i3l h VAL 535 N 0.39 1.38 -0.55 1.67 -1.51 -1.32 -1.65 116.25 114.66 3i3l h VAL 535 Ca 0.11 -2.18 -0.01 0.00 -1.23 0.00 0.00 66.70 63.39 3i3l h VAL 535 Cb -0.03 2.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 3i3l h VAL 535 CO -0.02 0.66 0.30 0.58 -1.23 0.00 0.00 177.57 177.86 3i3l h VAL 536 N 0.28 1.18 -0.71 7.19 2.07 -1.13 -0.79 116.25 124.35 3i3l h VAL 536 Ca -0.04 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3i3l h VAL 536 Cb 1.35 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3i3l h VAL 536 CO 0.13 0.20 0.20 0.03 0.02 0.00 0.00 177.57 178.15 3i3l h ARG 537 N 0.74 1.12 -0.18 1.57 2.47 -0.87 -0.18 114.38 119.06 3i3l h ARG 537 Ca 0.19 -0.26 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 3i3l h ARG 537 Cb 0.05 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 3i3l h ARG 537 CO -0.03 0.97 -0.08 -0.07 0.56 0.00 0.00 179.97 181.32 3i3l h LEU 538 N 1.06 0.26 0.08 3.04 3.38 -1.05 0.11 115.31 122.19 3i3l h LEU 538 Ca 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3i3l h LEU 538 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i3l h LEU 538 CO -0.00 0.38 -0.04 0.24 0.09 0.00 0.00 178.44 179.11 3i3l h MET 539 N 0.27 -0.11 -0.30 1.13 2.86 -0.64 -1.23 114.93 116.91 3i3l h MET 539 Ca 0.06 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3i3l h MET 539 Cb 0.32 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3i3l h MET 539 CO 0.02 0.32 0.20 0.93 1.06 0.00 0.00 176.91 179.44 3i3l h GLU 540 N -0.58 0.31 0.00 1.72 5.08 -0.67 -0.23 114.58 120.20 3i3l h GLU 540 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i3l h GLU 540 Cb 0.48 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3i3l h GLU 540 CO 0.02 0.20 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 3i3l n ALA 541 N -2.51 2.00 -0.99 3.43 0.00 0.36 -4.88 120.51 117.91 3i3l n ALA 541 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i3l n ALA 541 Cb 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3i3l n ALA 541 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3l n GLY 542 N 0.49 0.35 0.12 0.00 0.00 -0.10 -4.81 105.19 101.23 3i3l n GLY 542 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3i3l n GLY 542 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i3l h LEU 543 N 0.00 0.33 -8.93 0.99 3.38 -1.47 -3.43 115.31 106.19 3i3l h LEU 543 Ca 0.00 -0.31 -0.68 0.00 0.09 0.00 0.00 57.88 56.98 3i3l h LEU 543 Cb 0.32 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 40.74 3i3l h LEU 543 CO 0.00 1.17 -0.74 -0.76 0.09 0.00 0.00 178.44 178.21 3i3l s LEU 544 N -7.29 2.90 -0.07 1.67 1.43 -0.66 -2.27 118.68 114.39 3i3l s LEU 544 Ca -0.03 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 3i3l s LEU 544 Cb 0.09 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 3i3l s LEU 544 CO 0.85 0.32 -0.25 -0.89 0.23 0.00 0.00 176.35 176.62 3i3l s THR 545 N -0.56 2.05 -0.00 5.49 2.01 -0.76 -4.34 115.64 119.52 3i3l s THR 545 Ca 0.08 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3i3l s THR 545 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3i3l s THR 545 CO 0.02 0.57 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.65 3i3l s GLY 546 N -0.06 1.82 -0.00 4.40 0.00 -1.26 -1.33 107.32 110.89 3i3l s GLY 546 Ca -0.07 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.72 3i3l s GLY 546 CO 0.05 -0.84 -0.13 -0.19 0.00 0.00 0.00 173.10 171.99 3i3l s TYR 547 N -1.04 1.18 0.76 1.90 2.02 -0.19 0.18 117.35 122.16 3i3l s TYR 547 Ca 0.18 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.59 3i3l s TYR 547 Cb -0.11 -0.75 0.16 0.00 -0.40 0.00 0.00 41.96 40.86 3i3l s TYR 547 CO 0.09 -0.01 1.03 -0.40 -1.57 0.00 0.00 175.55 174.69 3i3l n ASP 548 N 2.65 0.88 0.26 2.29 5.68 0.43 -1.76 116.55 126.98 3i3l n ASP 548 Ca -0.15 -1.86 0.11 0.00 -0.50 0.00 0.00 54.79 52.39 3i3l n ASP 548 Cb 0.55 -0.72 0.69 0.00 -1.14 0.00 0.00 41.12 40.51 3i3l n ASP 548 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i3l h ALA 549 N -0.99 1.42 -0.02 2.12 0.00 -1.90 0.15 119.26 120.05 3i3l h ALA 549 Ca -0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i3l h ALA 549 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i3l h ALA 549 CO 0.32 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.76 3i3l n GLN 550 N -3.85 1.57 -0.50 0.00 3.00 -1.26 -4.92 117.38 111.42 3i3l n GLN 550 Ca -0.02 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 3i3l n GLN 550 Cb 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.98 3i3l n GLN 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i3l n GLY 551 N 1.15 0.75 3.83 1.08 0.00 0.04 -5.06 105.19 106.98 3i3l n GLY 551 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3i3l n GLY 551 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3l s GLU 552 N -0.50 4.12 0.51 1.61 0.41 -1.26 -4.76 118.70 118.83 3i3l s GLU 552 Ca 0.00 0.68 -0.23 0.00 -0.41 0.00 0.00 54.97 55.01 3i3l s GLU 552 Cb 0.00 -2.92 -0.06 0.00 -1.78 0.00 0.00 34.13 29.37 3i3l s GLU 552 CO 0.00 0.45 1.37 0.21 -0.49 0.00 0.00 175.26 176.80 3i3l s LYS 553 N -1.92 3.33 -0.25 1.61 2.20 -1.26 -0.42 119.74 123.03 3i3l s LYS 553 Ca 0.40 2.27 -0.01 0.00 -0.36 0.00 0.00 55.97 58.26 3i3l s LYS 553 Cb -0.16 -2.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.81 3i3l s LYS 553 CO 0.20 -1.05 -0.07 0.08 -0.36 0.00 0.00 175.35 174.15 3i3l s VAL 554 N -1.28 2.76 -0.21 4.02 1.01 0.13 -4.78 120.40 122.04 3i3l s VAL 554 Ca 0.68 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 3i3l s VAL 554 Cb -0.41 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3i3l s VAL 554 CO 0.50 0.17 0.60 -0.36 0.00 0.00 0.00 175.10 176.01 3i3l s PHE 555 N 1.29 3.35 -0.05 5.22 0.08 -1.26 -4.36 117.98 122.25 3i3l s PHE 555 Ca -0.01 0.86 0.04 0.00 0.12 0.00 0.00 56.93 57.94 3i3l s PHE 555 Cb -0.17 -2.78 -0.00 0.00 -0.57 0.00 0.00 43.02 39.49 3i3l s PHE 555 CO -0.05 -0.20 -0.18 0.08 -0.10 0.00 0.00 175.22 174.76 3i3l s VAL 556 N 2.03 1.55 -0.09 -0.44 1.01 -1.26 -5.06 120.40 118.13 3i3l s VAL 556 Ca 0.27 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3i3l s VAL 556 Cb -0.16 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.94 3i3l s VAL 556 CO 0.10 0.44 0.21 0.00 0.00 0.00 0.00 175.10 175.85 3i3l s GLN 557 N 0.09 0.16 -0.30 2.72 -2.07 -1.26 -4.51 119.66 114.48 3i3l s GLN 557 Ca -0.06 0.49 0.07 0.00 -1.82 0.00 0.00 55.36 54.04 3i3l s GLN 557 Cb -0.13 -0.14 0.46 0.00 -1.09 0.00 0.00 33.01 32.10 3i3l s GLN 557 CO 0.03 -0.18 1.29 0.41 -1.32 0.00 0.00 175.29 175.53 3i3l n GLY 558 N 4.32 5.92 0.00 2.60 0.00 -1.26 -5.01 105.19 111.76 3i3l n GLY 558 Ca -0.24 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.60 3i3l n GLY 558 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i3l n ARG 559 N -0.87 3.50 -0.73 1.61 -4.01 -1.26 -4.97 116.66 109.93 3i3l n ARG 559 Ca 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.20 3i3l n ARG 559 Cb 0.89 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.31 3i3l n ARG 559 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3i3l n LEU 560 N 0.00 -0.61 -4.03 2.89 7.94 -1.26 -5.02 117.00 116.91 3i3l n LEU 560 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3i3l n LEU 560 Cb 0.00 -0.15 -0.11 0.00 0.53 0.00 0.00 43.42 43.69 3i3l n LEU 560 CO 0.00 0.00 -0.38 -1.00 -1.11 0.00 0.00 177.39 174.90 3i3l s HIS 561 N -2.15 0.49 -2.34 1.96 3.76 -1.26 -4.93 115.29 110.82 3i3l s HIS 561 Ca 0.00 -0.53 0.22 0.00 -0.15 0.00 0.00 55.06 54.60 3i3l s HIS 561 Cb 0.00 -0.31 0.72 0.00 1.11 0.00 0.00 32.58 34.10 3i3l s HIS 561 CO 0.00 -0.14 1.54 1.97 -0.85 0.00 0.00 174.74 177.26 3i3l n PHE 562 N 1.47 0.22 0.00 1.40 -1.74 -1.26 -5.02 117.46 112.53 3i3l n PHE 562 Ca -0.23 -0.11 0.00 0.00 -0.56 0.00 0.00 57.45 56.55 3i3l n PHE 562 Cb 0.55 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.55 3i3l n PHE 562 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3i3l n GLY 563 N 1.19 2.32 2.48 4.97 0.00 -1.26 -4.95 105.19 109.93 3i3l n GLY 563 Ca 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3i3l n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3l n GLY 564 N 2.00 0.87 3.24 -0.02 0.00 -1.26 -4.99 105.19 105.03 3i3l n GLY 564 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i3l n GLY 564 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3l s VAL 565 N -3.44 1.59 0.00 1.61 1.01 -1.26 0.33 120.40 120.24 3i3l s VAL 565 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.81 3i3l s VAL 565 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3i3l s VAL 565 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89