#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6i s LYS 2 N 0.00 3.89 -0.18 0.00 2.20 -1.26 -1.33 119.74 123.06 2j6i s LYS 2 Ca 0.00 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2j6i s LYS 2 Cb 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2j6i s LYS 2 CO 0.00 -0.07 -0.13 0.42 -0.36 0.00 0.00 175.35 175.21 2j6i s ILE 3 N 1.39 2.76 -0.23 5.43 1.09 0.01 -0.47 121.20 131.18 2j6i s ILE 3 Ca 0.06 -0.72 -0.08 0.00 -1.10 0.00 0.00 60.65 58.81 2j6i s ILE 3 Cb -0.15 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 2j6i s ILE 3 CO 0.06 0.50 0.10 -0.69 -0.10 0.00 0.00 174.94 174.81 2j6i s VAL 4 N 1.06 4.81 -0.24 2.92 1.01 0.10 -0.72 120.40 129.34 2j6i s VAL 4 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2j6i s VAL 4 Cb -0.15 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2j6i s VAL 4 CO -0.03 0.37 -0.11 -0.22 0.00 0.00 0.00 175.10 175.11 2j6i s LEU 5 N 1.13 3.02 -0.32 3.92 2.96 0.15 0.04 118.68 129.57 2j6i s LEU 5 Ca 0.05 -0.97 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 2j6i s LEU 5 Cb -0.14 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 45.00 2j6i s LEU 5 CO 0.04 -0.12 0.07 -0.69 -1.32 0.00 0.00 176.35 174.34 2j6i s VAL 6 N 1.25 3.61 0.00 1.68 1.01 -0.03 -2.05 120.40 125.87 2j6i s VAL 6 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2j6i s VAL 6 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2j6i s VAL 6 CO -0.07 -0.11 0.00 0.18 0.00 0.00 0.00 175.10 175.10 2j6i n LEU 7 N 4.78 0.00 -4.28 3.92 4.77 -0.88 -3.74 117.00 121.57 2j6i n LEU 7 Ca -0.13 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 2j6i n LEU 7 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2j6i n LEU 7 CO 0.30 0.00 -0.37 -0.72 -1.33 0.00 0.00 177.39 175.27 2j6i s TYR 8 N 1.60 1.36 -0.34 -1.77 -0.85 -1.26 -4.38 117.35 111.72 2j6i s TYR 8 Ca 0.00 -0.85 -0.29 0.00 -0.52 0.00 0.00 57.07 55.41 2j6i s TYR 8 Cb 0.00 -0.74 0.02 0.00 0.38 0.00 0.00 41.96 41.62 2j6i s TYR 8 CO 0.00 -0.00 1.06 -0.51 -1.52 0.00 0.00 175.55 174.57 2j6i s ASP 9 N -3.22 6.87 0.00 -0.18 1.01 -1.26 -0.95 116.67 118.95 2j6i s ASP 9 Ca 0.22 0.94 0.28 0.00 0.71 0.00 0.00 52.55 54.70 2j6i s ASP 9 Cb 0.04 -2.53 1.05 0.00 1.01 0.00 0.00 42.92 42.49 2j6i s ASP 9 CO 0.04 -0.90 1.77 0.00 0.21 0.00 0.00 175.17 176.29 2j6i n ALA 10 N 6.92 2.79 -0.99 5.23 0.00 -1.26 -5.00 120.51 128.19 2j6i n ALA 10 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2j6i n ALA 10 Cb 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2j6i n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j6i n GLY 11 N 1.43 3.48 0.24 0.00 0.00 -1.26 -2.48 105.19 106.60 2j6i n GLY 11 Ca 0.09 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2j6i n GLY 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2j6i h LYS 12 N 0.00 0.00 0.00 1.61 -0.00 -2.02 -2.79 116.57 113.37 2j6i h LYS 12 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 2j6i h LYS 12 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2j6i h LYS 12 CO 0.00 0.16 -0.16 0.45 -0.00 0.00 0.00 179.45 179.90 2j6i h HIS 13 N 0.00 0.00 -0.62 0.07 3.86 -1.92 -2.11 115.15 114.44 2j6i h HIS 13 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2j6i h HIS 13 Cb 0.30 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2j6i h HIS 13 CO 0.00 0.16 0.19 0.00 0.86 0.00 0.00 177.93 179.14 2j6i h ALA 14 N 1.84 0.81 -0.27 2.45 0.00 -1.61 -2.14 119.26 120.35 2j6i h ALA 14 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2j6i h ALA 14 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2j6i h ALA 14 CO 0.02 0.48 -0.30 0.00 0.00 0.00 0.00 179.25 179.45 2j6i h ALA 15 N 1.07 0.97 -0.82 0.00 0.00 -1.54 -3.10 119.26 115.84 2j6i h ALA 15 Ca 0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2j6i h ALA 15 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2j6i h ALA 15 CO -0.01 0.60 0.37 -0.44 0.00 0.00 0.00 179.25 179.77 2j6i h ASP 16 N 0.48 1.09 -3.29 0.00 3.32 -1.20 -3.43 116.42 113.40 2j6i h ASP 16 Ca 0.06 -0.15 -0.53 0.00 0.02 0.00 0.00 57.03 56.43 2j6i h ASP 16 Cb 0.76 -0.28 -0.38 0.00 0.22 0.00 0.00 39.33 39.65 2j6i h ASP 16 CO 0.06 0.94 -0.79 -0.70 -1.72 0.00 0.00 179.24 177.03 2j6i s GLU 17 N -5.64 1.28 0.35 3.56 2.56 -0.82 -5.00 118.70 114.98 2j6i s GLU 17 Ca -0.12 -0.39 0.17 0.00 0.00 0.00 0.00 54.97 54.62 2j6i s GLU 17 Cb 0.16 -1.83 0.59 0.00 2.00 0.00 0.00 34.13 35.05 2j6i s GLU 17 CO 0.83 -0.41 1.70 1.49 -0.56 0.00 0.00 175.26 178.31 2j6i h GLU 18 N 8.16 0.00 -0.01 4.30 4.81 -1.84 -2.77 114.58 127.24 2j6i h GLU 18 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2j6i h GLU 18 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2j6i h GLU 18 CO 0.38 0.43 -0.01 1.63 -0.73 0.00 0.00 179.01 180.71 2j6i n LYS 19 N -3.58 1.24 -2.20 1.92 5.02 -1.26 -4.50 118.16 114.80 2j6i n LYS 19 Ca -0.00 -0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 55.43 2j6i n LYS 19 Cb 0.54 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2j6i n LYS 19 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2j6i n LEU 20 N -0.50 5.61 0.08 -0.35 7.94 -1.05 -4.71 117.00 124.02 2j6i n LEU 20 Ca 0.21 -3.96 -0.11 0.00 -1.11 0.00 0.00 56.01 51.04 2j6i n LEU 20 Cb 0.23 -1.70 -0.05 0.00 0.53 0.00 0.00 43.42 42.43 2j6i n LEU 20 CO 0.18 0.45 0.17 1.88 -1.11 0.00 0.00 177.39 178.96 2j6i h TYR 21 N 7.04 0.37 0.00 1.96 -1.99 -1.87 -3.36 116.97 119.12 2j6i h TYR 21 Ca 0.49 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 61.00 2j6i h TYR 21 Cb 0.78 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.47 2j6i h TYR 21 CO 1.43 1.07 0.00 0.41 -0.00 0.00 0.00 178.16 181.07 2j6i n GLY 22 N 1.04 1.02 3.44 3.88 0.00 -1.26 -0.86 105.19 112.45 2j6i n GLY 22 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2j6i n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6i h THR 24 N 2.34 1.19 -0.29 0.00 1.35 -1.34 0.37 112.91 116.53 2j6i h THR 24 Ca -0.40 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 2j6i h THR 24 Cb 1.25 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2j6i h THR 24 CO 0.61 0.23 0.09 -0.33 -0.25 0.00 0.00 175.52 175.87 2j6i h GLU 25 N 0.69 0.40 -0.00 4.72 3.07 -1.93 -3.11 114.58 118.41 2j6i h GLU 25 Ca 0.16 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2j6i h GLU 25 Cb 0.17 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2j6i h GLU 25 CO -0.01 0.36 -0.51 0.09 -1.40 0.00 0.00 179.01 177.54 2j6i n ASN 26 N -4.39 0.98 -4.02 1.42 3.02 -0.94 -5.03 115.26 106.29 2j6i n ASN 26 Ca 0.01 -0.99 -0.30 0.00 -0.03 0.00 0.00 54.58 53.27 2j6i n ASN 26 Cb 0.15 0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 40.11 2j6i n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2j6i n LYS 27 N -0.87 -3.96 -0.82 3.52 5.02 0.08 -1.01 118.16 120.12 2j6i n LYS 27 Ca 0.04 0.46 -0.01 0.00 -2.02 0.00 0.00 58.31 56.78 2j6i n LYS 27 Cb 0.25 -5.04 -0.00 0.00 -0.02 0.00 0.00 35.03 30.21 2j6i n LYS 27 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2j6i n LEU 28 N -4.46 0.64 -1.42 -0.35 4.77 -0.04 -1.75 117.00 114.39 2j6i n LEU 28 Ca -0.08 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 2j6i n LEU 28 Cb 0.57 -2.06 -0.05 0.00 -2.33 0.00 0.00 43.42 39.55 2j6i n LEU 28 CO 0.79 -0.78 -0.17 0.61 -1.33 0.00 0.00 177.39 176.51 2j6i n GLY 29 N 0.70 1.00 0.22 -0.72 0.00 -0.18 -4.76 105.19 101.46 2j6i n GLY 29 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.79 2j6i n GLY 29 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2j6i n ILE 30 N -3.01 0.00 -0.20 -0.61 -5.35 -0.72 -4.74 119.36 104.75 2j6i n ILE 30 Ca -0.17 -0.49 -0.05 0.00 -0.27 0.00 0.00 62.75 61.77 2j6i n ILE 30 Cb 0.56 1.11 0.05 0.00 -1.74 0.00 0.00 39.64 39.63 2j6i n ILE 30 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j6i h ALA 31 N 1.12 0.74 0.01 -1.28 0.00 -1.88 0.17 119.26 118.13 2j6i h ALA 31 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2j6i h ALA 31 Cb 0.24 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2j6i h ALA 31 CO 0.00 0.08 -1.03 -0.91 0.00 0.00 0.00 179.25 177.39 2j6i h ASN 32 N 0.70 0.89 -0.62 0.00 2.35 -1.94 -1.88 115.58 115.07 2j6i h ASN 32 Ca 0.23 -0.75 0.11 0.00 -0.55 0.00 0.00 56.30 55.34 2j6i h ASN 32 Cb 0.01 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.02 2j6i h ASN 32 CO -0.09 1.53 0.19 -0.25 -1.65 0.00 0.00 177.43 177.15 2j6i h TRP 33 N 0.36 0.31 -0.23 1.19 7.01 -1.79 -0.03 115.95 122.77 2j6i h TRP 33 Ca -0.13 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 2j6i h TRP 33 Cb 1.69 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.70 2j6i h TRP 33 CO 0.11 0.03 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.67 2j6i h LEU 34 N 0.34 0.43 -0.87 0.65 3.38 -0.65 -3.01 115.31 115.58 2j6i h LEU 34 Ca 0.33 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2j6i h LEU 34 Cb 0.46 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2j6i h LEU 34 CO -0.37 0.69 0.57 0.50 0.09 0.00 0.00 178.44 179.92 2j6i h LYS 35 N 0.17 1.11 0.00 1.13 3.11 -1.08 -2.01 116.57 119.00 2j6i h LYS 35 Ca 0.06 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2j6i h LYS 35 Cb 0.49 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 2j6i h LYS 35 CO 0.02 0.73 -0.06 0.22 -2.81 0.00 0.00 179.45 177.55 2j6i h ASP 36 N 1.14 0.00 -0.16 4.20 1.82 -0.96 -0.83 116.42 121.63 2j6i h ASP 36 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 2j6i h ASP 36 Cb -0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2j6i h ASP 36 CO -0.09 0.06 0.00 0.00 -1.61 0.00 0.00 179.24 177.60 2j6i n GLN 37 N -3.59 2.03 -0.97 0.28 6.02 -0.89 -4.95 117.38 115.32 2j6i n GLN 37 Ca -0.02 -1.53 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 2j6i n GLN 37 Cb 0.17 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2j6i n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j6i n GLY 38 N 1.28 0.42 3.93 1.08 0.00 -0.32 -4.98 105.19 106.59 2j6i n GLY 38 Ca 0.17 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 2j6i n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j6i s HIS 39 N -2.00 3.49 -0.24 1.61 3.76 -0.81 -4.39 115.29 116.70 2j6i s HIS 39 Ca 0.00 0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 55.08 2j6i s HIS 39 Cb 0.00 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 2j6i s HIS 39 CO 0.00 0.42 0.22 -2.00 -0.85 0.00 0.00 174.74 172.53 2j6i s GLU 40 N -3.23 4.06 -0.23 1.40 2.12 -0.44 -4.17 118.70 118.22 2j6i s GLU 40 Ca 0.37 -0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 2j6i s GLU 40 Cb -0.11 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 2j6i s GLU 40 CO 0.29 -0.02 0.02 -1.17 -0.54 0.00 0.00 175.26 173.83 2j6i s LEU 41 N 1.29 3.24 -0.24 2.70 2.96 -1.26 -0.81 118.68 126.57 2j6i s LEU 41 Ca 0.10 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 2j6i s LEU 41 Cb -0.14 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2j6i s LEU 41 CO 0.07 -0.00 0.11 -0.63 -1.32 0.00 0.00 176.35 174.57 2j6i s ILE 42 N 1.39 4.77 -0.12 6.68 1.09 0.10 -5.00 121.20 130.11 2j6i s ILE 42 Ca 0.05 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.58 2j6i s ILE 42 Cb -0.15 -3.23 -0.02 0.00 -1.06 0.00 0.00 42.46 38.01 2j6i s ILE 42 CO 0.01 0.34 -0.13 -0.89 -0.10 0.00 0.00 174.94 174.17 2j6i s THR 43 N 1.36 3.05 0.08 2.92 2.01 -1.26 0.32 115.64 124.12 2j6i s THR 43 Ca 0.06 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 2j6i s THR 43 Cb -0.15 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.10 2j6i s THR 43 CO 0.05 0.53 0.28 0.28 -0.69 0.00 0.00 174.62 175.07 2j6i s THR 44 N 0.28 0.11 -0.67 -0.82 -1.32 -0.87 -4.99 115.64 107.35 2j6i s THR 44 Ca -0.10 -0.87 0.10 0.00 -1.21 0.00 0.00 61.69 59.62 2j6i s THR 44 Cb -0.16 -1.16 -0.07 0.00 -1.51 0.00 0.00 72.50 69.61 2j6i s THR 44 CO 0.05 -0.48 0.52 -1.20 -2.21 0.00 0.00 174.62 171.30 2j6i n SER 45 N 0.12 0.78 -4.50 8.08 7.64 -1.26 -2.08 113.62 122.39 2j6i n SER 45 Ca -0.16 -0.89 -0.42 0.00 1.01 0.00 0.00 58.87 58.40 2j6i n SER 45 Cb 0.62 0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 64.58 2j6i n SER 45 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2j6i s ASP 46 N -1.74 6.36 0.00 6.43 2.15 -1.26 -4.74 116.67 123.87 2j6i s ASP 46 Ca 0.06 -1.23 0.00 0.00 0.43 0.00 0.00 52.55 51.80 2j6i s ASP 46 Cb 0.08 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2j6i s ASP 46 CO 0.36 -1.46 0.43 2.29 -0.17 0.00 0.00 175.17 176.61 2j6i n LYS 47 N 8.12 -0.46 -4.32 4.34 2.85 -1.26 -2.34 118.16 125.09 2j6i n LYS 47 Ca 0.14 -0.46 -0.29 0.00 -1.05 0.00 0.00 58.31 56.64 2j6i n LYS 47 Cb 0.49 -0.88 -0.12 0.00 -0.65 0.00 0.00 35.03 33.87 2j6i n LYS 47 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2j6i s GLU 48 N -0.07 1.71 0.00 -1.58 8.01 -1.26 -4.87 118.70 120.64 2j6i s GLU 48 Ca 0.00 -1.22 0.00 0.00 0.01 0.00 0.00 54.97 53.76 2j6i s GLU 48 Cb 0.00 -2.07 0.00 0.00 -4.31 0.00 0.00 34.13 27.75 2j6i s GLU 48 CO 0.00 0.47 0.00 0.41 0.01 0.00 0.00 175.26 176.15 2j6i n GLY 49 N 0.79 1.30 0.29 -1.39 0.00 -1.26 -4.47 105.19 100.44 2j6i n GLY 49 Ca -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2j6i n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j6i n ASN 51 N 0.00 0.00 -4.71 1.61 2.85 -1.26 -5.05 115.26 108.70 2j6i n ASN 51 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 2j6i n ASN 51 Cb 0.00 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.15 2j6i n ASN 51 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2j6i s SER 52 N -0.09 3.56 0.23 1.20 1.04 -1.26 -4.77 113.70 113.60 2j6i s SER 52 Ca 0.00 2.12 -0.05 0.00 0.48 0.00 0.00 55.95 58.50 2j6i s SER 52 Cb 0.00 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.78 2j6i s SER 52 CO 0.00 -2.68 1.73 0.58 0.98 0.00 0.00 173.24 173.85 2j6i h VAL 53 N -1.40 1.25 -0.46 5.02 2.07 -1.89 -0.06 116.25 120.78 2j6i h VAL 53 Ca -0.44 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.14 2j6i h VAL 53 Cb 1.26 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2j6i h VAL 53 CO 0.45 0.37 0.16 0.25 0.02 0.00 0.00 177.57 178.82 2j6i h LEU 54 N 0.91 0.15 -1.06 2.57 5.85 -1.83 -2.74 115.31 119.17 2j6i h LEU 54 Ca 0.18 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2j6i h LEU 54 Cb 0.43 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2j6i h LEU 54 CO 0.01 0.12 -0.25 0.44 -0.34 0.00 0.00 178.44 178.42 2j6i h ASP 55 N 0.32 0.36 -0.91 1.25 3.32 -1.51 -1.21 116.42 118.06 2j6i h ASP 55 Ca 0.22 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.21 2j6i h ASP 55 Cb 0.23 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 2j6i h ASP 55 CO -0.23 0.62 0.59 1.56 -1.72 0.00 0.00 179.24 180.06 2j6i h GLN 56 N 0.33 1.03 0.00 3.56 4.20 -0.77 -3.13 115.11 120.33 2j6i h GLN 56 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2j6i h GLN 56 Cb 0.62 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2j6i h GLN 56 CO 0.04 0.68 -0.93 0.72 -0.67 0.00 0.00 178.83 178.68 2j6i n HIS 57 N -4.47 0.00 -0.15 2.96 8.25 -0.96 -4.44 115.22 116.40 2j6i n HIS 57 Ca 0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 2j6i n HIS 57 Cb 0.17 -0.05 0.04 0.00 1.12 0.00 0.00 29.99 31.27 2j6i n HIS 57 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2j6i h ILE 58 N 0.00 0.96 -0.90 1.59 2.04 -1.17 -2.36 117.51 117.67 2j6i h ILE 58 Ca 0.00 -0.16 0.25 0.00 1.00 0.00 0.00 64.86 65.95 2j6i h ILE 58 Cb 0.51 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2j6i h ILE 58 CO 0.00 0.09 0.63 -0.65 0.00 0.00 0.00 178.15 178.22 2j6i h PRO 59 N 0.47 0.10 0.00 2.37 0.11 -1.75 -2.74 132.00 130.55 2j6i h PRO 59 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2j6i h PRO 59 Cb 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2j6i h PRO 59 CO -0.14 0.06 -0.14 -0.40 -0.21 0.00 0.00 178.00 177.17 2j6i n ASP 60 N -4.34 1.61 -4.70 -2.05 5.75 -1.16 -2.26 116.55 109.41 2j6i n ASP 60 Ca 0.19 -2.66 -0.42 0.00 -0.01 0.00 0.00 54.79 51.88 2j6i n ASP 60 Cb 0.90 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 2j6i n ASP 60 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j6i s ALA 61 N -1.88 3.46 0.09 2.12 0.00 -0.90 -4.69 121.76 119.96 2j6i s ALA 61 Ca 0.20 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2j6i s ALA 61 Cb 0.18 -3.50 -0.25 0.00 0.00 0.00 0.00 23.12 19.55 2j6i s ALA 61 CO 0.02 -0.65 1.19 -0.44 0.00 0.00 0.00 175.76 175.87 2j6i h ASP 62 N 7.26 0.30 -3.70 0.00 3.32 -0.96 -2.83 116.42 119.81 2j6i h ASP 62 Ca -0.37 -0.32 -0.26 0.00 0.02 0.00 0.00 57.03 56.10 2j6i h ASP 62 Cb 1.18 -0.10 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 2j6i h ASP 62 CO 0.86 1.24 -0.73 -0.63 -1.72 0.00 0.00 179.24 178.26 2j6i s ILE 63 N -2.70 0.06 -0.09 0.35 1.01 -0.74 -0.72 121.20 118.38 2j6i s ILE 63 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.68 2j6i s ILE 63 Cb 0.08 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 42.46 2j6i s ILE 63 CO 0.86 0.04 -0.22 -0.63 0.00 0.00 0.00 174.94 175.00 2j6i s ILE 64 N 0.25 1.91 -0.13 2.92 1.01 -0.86 0.03 121.20 126.33 2j6i s ILE 64 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 2j6i s ILE 64 Cb -0.04 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 2j6i s ILE 64 CO -0.01 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.71 2j6i s ILE 65 N 0.40 3.19 0.29 2.92 1.01 0.11 -0.74 121.20 128.36 2j6i s ILE 65 Ca -0.18 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2j6i s ILE 65 Cb -0.18 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 2j6i s ILE 65 CO 0.08 0.52 -0.05 0.42 0.00 0.00 0.00 174.94 175.92 2j6i s THR 66 N 0.28 1.61 -0.04 2.92 -4.23 0.53 -0.85 115.64 115.87 2j6i s THR 66 Ca -0.09 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.35 2j6i s THR 66 Cb -0.15 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.20 2j6i s THR 66 CO 0.05 -0.27 -0.15 0.28 -0.54 0.00 0.00 174.62 173.99 2j6i s THR 67 N -3.03 1.24 -0.69 3.99 -1.32 -1.25 -0.21 115.64 114.38 2j6i s THR 67 Ca 0.30 -0.61 0.21 0.00 -1.21 0.00 0.00 61.69 60.38 2j6i s THR 67 Cb 0.04 -1.08 0.21 0.00 -1.51 0.00 0.00 72.50 70.16 2j6i s THR 67 CO 0.12 0.37 1.64 -0.81 -2.21 0.00 0.00 174.62 173.73 2j6i n PRO 68 N 3.23 0.13 0.15 7.08 -0.04 -1.26 -2.31 135.00 141.98 2j6i n PRO 68 Ca -0.18 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2j6i n PRO 68 Cb 0.53 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.33 2j6i n PRO 68 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2j6i h PHE 69 N 0.00 0.00 -1.74 0.54 -1.00 -1.95 -3.36 116.94 109.43 2j6i h PHE 69 Ca 0.00 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.27 2j6i h PHE 69 Cb 0.35 0.00 -0.36 0.00 3.61 0.00 0.00 35.95 39.56 2j6i h PHE 69 CO 0.00 0.17 -1.02 1.58 -1.61 0.00 0.00 178.31 177.43 2j6i n HIS 70 N -3.00 -0.79 -2.30 -0.55 -0.00 -1.02 -5.06 115.22 102.50 2j6i n HIS 70 Ca 0.01 -3.31 -0.42 0.00 0.46 0.00 0.00 57.72 54.46 2j6i n HIS 70 Cb 0.61 -0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 30.38 2j6i n HIS 70 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2j6i s PRO 71 N -0.89 4.30 -0.25 1.57 0.04 -0.98 -4.48 135.00 134.32 2j6i s PRO 71 Ca 0.35 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 2j6i s PRO 71 Cb 0.17 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2j6i s PRO 71 CO -0.13 -0.54 0.94 0.00 0.04 0.00 0.00 177.00 177.31 2j6i s ALA 72 N 2.38 3.64 -0.23 8.56 0.00 -1.26 -5.00 121.76 129.85 2j6i s ALA 72 Ca 0.61 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 2j6i s ALA 72 Cb -0.29 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 2j6i s ALA 72 CO 0.25 -1.06 1.32 0.71 0.00 0.00 0.00 175.76 176.97 2j6i s TYR 73 N 3.10 2.70 -1.07 0.00 1.51 -1.26 -4.78 117.35 117.55 2j6i s TYR 73 Ca 0.40 0.89 -0.16 0.00 -1.01 0.00 0.00 57.07 57.19 2j6i s TYR 73 Cb -0.15 -3.73 0.15 0.00 -0.11 0.00 0.00 41.96 38.12 2j6i s TYR 73 CO 0.08 -1.84 1.28 0.42 -1.11 0.00 0.00 175.55 174.37 2j6i s ILE 74 N 4.05 4.89 0.63 2.71 -1.09 0.18 -4.95 121.20 127.61 2j6i s ILE 74 Ca 0.57 -2.13 -0.08 0.00 -2.23 0.00 0.00 60.65 56.79 2j6i s ILE 74 Cb -0.20 -4.84 0.01 0.00 -1.58 0.00 0.00 42.46 35.85 2j6i s ILE 74 CO 0.20 -1.56 0.96 0.42 -1.23 0.00 0.00 174.94 173.73 2j6i s THR 75 N 2.09 3.59 0.20 2.92 -4.23 -1.26 -1.61 115.64 117.34 2j6i s THR 75 Ca 0.38 0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 2j6i s THR 75 Cb -0.04 -3.46 0.18 0.00 1.34 0.00 0.00 72.50 70.52 2j6i s THR 75 CO -0.05 -0.51 1.59 0.50 -0.54 0.00 0.00 174.62 175.61 2j6i h LYS 76 N -0.33 -0.11 -0.42 3.99 3.11 -1.93 0.20 116.57 121.08 2j6i h LYS 76 Ca -0.45 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 2j6i h LYS 76 Cb 1.26 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 2j6i h LYS 76 CO 0.62 -0.07 0.28 1.49 -2.81 0.00 0.00 179.45 178.96 2j6i h GLU 77 N -0.11 0.56 -0.84 1.90 4.57 -1.99 -1.14 114.58 117.53 2j6i h GLU 77 Ca 0.27 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2j6i h GLU 77 Cb 0.55 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2j6i h GLU 77 CO -0.71 0.37 0.50 0.00 -1.18 0.00 0.00 179.01 177.98 2j6i h ARG 78 N 0.57 1.14 -0.67 1.92 3.08 -1.71 -0.71 114.38 118.00 2j6i h ARG 78 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2j6i h ARG 78 Cb -0.06 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.72 2j6i h ARG 78 CO -0.03 0.81 0.42 0.82 -1.07 0.00 0.00 179.97 180.92 2j6i h ILE 79 N 1.15 1.18 -0.62 2.04 2.04 -0.23 -0.60 117.51 122.48 2j6i h ILE 79 Ca 0.30 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2j6i h ILE 79 Cb -0.03 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 2j6i h ILE 79 CO -0.05 0.19 0.29 0.44 0.00 0.00 0.00 178.15 179.01 2j6i h ASP 80 N 0.91 0.38 1.79 1.72 5.19 -0.46 -2.97 116.42 122.99 2j6i h ASP 80 Ca 0.24 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2j6i h ASP 80 Cb -0.06 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2j6i h ASP 80 CO -0.05 0.24 -0.04 0.11 -3.12 0.00 0.00 179.24 176.38 2j6i h LYS 81 N 0.53 0.00 -5.29 3.56 1.79 -0.43 -3.41 116.57 113.33 2j6i h LYS 81 Ca 0.30 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 58.06 2j6i h LYS 81 Cb 0.28 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.82 2j6i h LYS 81 CO -0.24 0.00 1.99 0.00 -1.08 0.00 0.00 179.45 180.12 2j6i n ALA 82 N -2.00 3.85 0.29 3.86 0.00 -0.30 -3.79 120.51 122.42 2j6i n ALA 82 Ca 0.04 -4.00 0.17 0.00 0.00 0.00 0.00 53.44 49.66 2j6i n ALA 82 Cb 0.50 -3.40 0.72 0.00 0.00 0.00 0.00 19.45 17.26 2j6i n ALA 82 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2j6i h LYS 83 N 7.25 0.00 -0.09 0.00 1.79 -1.63 -2.71 116.57 121.19 2j6i h LYS 83 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2j6i h LYS 83 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2j6i h LYS 83 CO 1.43 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 181.43 2j6i n LYS 84 N -3.02 1.13 -1.79 3.15 5.02 -1.23 -5.04 118.16 116.38 2j6i n LYS 84 Ca 0.00 -1.28 -0.42 0.00 -2.02 0.00 0.00 58.31 54.59 2j6i n LYS 84 Cb 0.28 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 2j6i n LYS 84 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2j6i s LEU 85 N -0.74 4.38 0.00 -0.35 2.96 -1.02 -4.29 118.68 119.61 2j6i s LEU 85 Ca 0.11 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 2j6i s LEU 85 Cb 0.06 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2j6i s LEU 85 CO 0.09 -0.95 0.00 0.29 -1.32 0.00 0.00 176.35 174.46 2j6i n LYS 86 N 4.96 2.10 -3.70 1.98 5.02 0.10 -4.68 118.16 123.94 2j6i n LYS 86 Ca 0.16 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 2j6i n LYS 86 Cb 0.38 -0.90 -0.11 0.00 -0.02 0.00 0.00 35.03 34.38 2j6i n LYS 86 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2j6i s LEU 87 N -2.87 -0.03 -0.09 -0.35 2.96 -1.10 -1.18 118.68 116.03 2j6i s LEU 87 Ca 0.00 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 2j6i s LEU 87 Cb 0.00 1.33 -0.00 0.00 0.50 0.00 0.00 46.19 48.02 2j6i s LEU 87 CO 0.00 -0.19 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.92 2j6i s VAL 88 N 1.29 1.99 -0.05 1.68 1.01 0.62 -2.03 120.40 124.91 2j6i s VAL 88 Ca -0.09 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 60.96 2j6i s VAL 88 Cb -0.08 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2j6i s VAL 88 CO -0.11 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.61 2j6i s VAL 89 N 0.25 2.24 -0.32 2.92 1.01 0.08 -1.33 120.40 125.24 2j6i s VAL 89 Ca -0.15 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 2j6i s VAL 89 Cb -0.17 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2j6i s VAL 89 CO 0.07 0.57 0.21 -0.69 0.00 0.00 0.00 175.10 175.27 2j6i s VAL 90 N -0.36 5.18 -1.40 2.92 1.01 0.17 -0.34 120.40 127.56 2j6i s VAL 90 Ca 0.03 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2j6i s VAL 90 Cb -0.12 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.70 2j6i s VAL 90 CO 0.02 0.07 2.07 0.00 0.00 0.00 0.00 175.10 177.25 2j6i n ALA 91 N 5.07 4.87 0.00 5.51 0.00 0.71 -3.44 120.51 133.23 2j6i n ALA 91 Ca -0.13 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.44 2j6i n ALA 91 Cb 0.50 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2j6i n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j6i n GLY 92 N 4.54 0.53 2.80 0.00 0.00 -1.26 -4.68 105.19 107.13 2j6i n GLY 92 Ca 0.51 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 2j6i n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j6i s VAL 93 N -3.56 0.16 0.00 1.61 1.01 -1.26 -1.14 120.40 117.22 2j6i s VAL 93 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2j6i s VAL 93 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2j6i s VAL 93 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2j6i n GLY 94 N 4.28 3.12 0.44 4.51 0.00 -1.26 -4.83 105.19 111.44 2j6i n GLY 94 Ca -0.24 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.17 2j6i n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j6i n SER 95 N 0.00 2.98 -0.17 1.61 3.41 -1.26 -4.58 113.62 115.61 2j6i n SER 95 Ca 0.00 -2.88 0.21 0.00 -0.26 0.00 0.00 58.87 55.94 2j6i n SER 95 Cb 0.00 -0.42 0.59 0.00 -0.26 0.00 0.00 64.21 64.11 2j6i n SER 95 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2j6i h ASP 96 N 0.88 0.25 0.26 4.04 3.45 -1.99 -0.68 116.42 122.63 2j6i h ASP 96 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2j6i h ASP 96 Cb 1.11 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2j6i h ASP 96 CO 0.09 0.11 -0.04 0.00 -1.57 0.00 0.00 179.24 177.83 2j6i n HIS 97 N -4.43 0.00 -4.06 4.55 1.44 -1.26 -4.74 115.22 106.72 2j6i n HIS 97 Ca 0.16 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.53 2j6i n HIS 97 Cb 0.70 -0.13 -0.11 0.00 0.12 0.00 0.00 29.99 30.57 2j6i n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2j6i s ILE 98 N -2.30 4.49 -1.31 0.61 1.01 -0.26 -0.65 121.20 122.79 2j6i s ILE 98 Ca 0.36 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 2j6i s ILE 98 Cb 0.21 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2j6i s ILE 98 CO 0.42 0.44 1.95 -0.67 0.00 0.00 0.00 174.94 177.08 2j6i n ASP 99 N 3.80 4.22 -0.26 3.58 -0.08 -0.63 -4.72 116.55 122.45 2j6i n ASP 99 Ca -0.17 -2.85 -0.06 0.00 -1.51 0.00 0.00 54.79 50.19 2j6i n ASP 99 Cb 0.52 -1.67 0.06 0.00 2.34 0.00 0.00 41.12 42.37 2j6i n ASP 99 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2j6i h LEU 100 N 12.19 1.08 -0.81 -2.67 3.38 -1.89 -1.34 115.31 125.24 2j6i h LEU 100 Ca 0.47 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.30 2j6i h LEU 100 Cb 0.78 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2j6i h LEU 100 CO 1.63 1.00 0.49 -0.78 0.09 0.00 0.00 178.44 180.88 2j6i h ASP 101 N 1.10 0.76 -0.17 -0.43 1.82 -1.99 0.06 116.42 117.57 2j6i h ASP 101 Ca 0.24 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.85 2j6i h ASP 101 Cb 0.32 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 2j6i h ASP 101 CO -0.01 0.49 -0.10 0.22 -1.61 0.00 0.00 179.24 178.23 2j6i h TYR 102 N 0.90 0.43 -0.47 0.28 3.20 -1.73 -0.75 116.97 118.83 2j6i h TYR 102 Ca 0.36 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 62.20 2j6i h TYR 102 Cb 0.19 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 2j6i h TYR 102 CO -0.04 0.70 0.06 0.82 -1.64 0.00 0.00 178.16 178.05 2j6i h ILE 103 N 0.04 0.70 -0.70 1.81 2.04 -1.00 -0.19 117.51 120.21 2j6i h ILE 103 Ca 0.04 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2j6i h ILE 103 Cb 0.59 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2j6i h ILE 103 CO 0.03 0.03 0.44 -1.13 0.00 0.00 0.00 178.15 177.52 2j6i h ASN 104 N 0.18 0.72 -0.50 1.72 -0.73 -0.88 -2.69 115.58 113.40 2j6i h ASN 104 Ca 0.23 -0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.35 2j6i h ASN 104 Cb 0.32 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.73 2j6i h ASN 104 CO -0.34 0.50 0.12 -0.61 -0.37 0.00 0.00 177.43 176.74 2j6i h GLN 105 N 0.86 0.86 0.00 6.67 4.15 0.46 -2.91 115.11 125.20 2j6i h GLN 105 Ca 0.28 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2j6i h GLN 105 Cb 0.02 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 2j6i h GLN 105 CO -0.11 0.78 -0.11 1.79 -1.93 0.00 0.00 178.83 179.26 2j6i h THR 106 N 0.83 0.63 0.00 2.39 1.35 -0.80 -3.46 112.91 113.85 2j6i h THR 106 Ca 0.18 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2j6i h THR 106 Cb 0.32 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2j6i h THR 106 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2j6i n GLY 107 N -0.84 1.50 3.77 5.82 0.00 -1.10 -5.02 105.19 109.32 2j6i n GLY 107 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2j6i n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j6i s LYS 108 N -0.00 3.98 -1.35 1.61 1.02 -1.26 -4.90 119.74 118.84 2j6i s LYS 108 Ca 0.00 2.31 -0.10 0.00 0.02 0.00 0.00 55.97 58.20 2j6i s LYS 108 Cb 0.00 -2.82 0.12 0.00 -0.52 0.00 0.00 37.83 34.61 2j6i s LYS 108 CO 0.00 -0.54 2.04 1.63 -0.92 0.00 0.00 175.35 177.56 2j6i n LYS 109 N 0.21 3.45 -4.04 1.68 4.76 -1.26 -3.82 118.16 119.14 2j6i n LYS 109 Ca 0.03 -3.21 -0.35 0.00 -2.87 0.00 0.00 58.31 51.91 2j6i n LYS 109 Cb 0.42 -3.01 -0.14 0.00 -1.84 0.00 0.00 35.03 30.46 2j6i n LYS 109 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2j6i s ILE 110 N 1.17 3.47 0.18 -0.18 1.01 -1.26 -4.69 121.20 120.89 2j6i s ILE 110 Ca 0.43 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 2j6i s ILE 110 Cb 0.12 -2.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.95 2j6i s ILE 110 CO -0.03 0.44 0.65 -0.44 0.00 0.00 0.00 174.94 175.56 2j6i s SER 111 N 1.24 6.98 -0.10 3.58 0.01 -0.33 -0.21 113.70 124.88 2j6i s SER 111 Ca 0.03 1.29 0.01 0.00 1.31 0.00 0.00 55.95 58.59 2j6i s SER 111 Cb -0.14 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.73 2j6i s SER 111 CO -0.01 0.08 -0.13 -0.69 0.41 0.00 0.00 173.24 172.89 2j6i s VAL 112 N -1.47 1.35 0.06 3.43 1.01 -0.26 -0.28 120.40 124.24 2j6i s VAL 112 Ca 0.40 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2j6i s VAL 112 Cb -0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2j6i s VAL 112 CO 0.20 0.41 -0.12 -0.76 0.00 0.00 0.00 175.10 174.83 2j6i s LEU 113 N 1.07 2.24 0.21 3.92 1.02 -0.44 -0.44 118.68 126.26 2j6i s LEU 113 Ca -0.06 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.57 2j6i s LEU 113 Cb -0.15 -0.44 -0.05 0.00 0.02 0.00 0.00 46.19 45.58 2j6i s LEU 113 CO -0.02 -0.08 0.00 -1.83 0.02 0.00 0.00 176.35 174.44 2j6i s GLU 114 N -1.52 1.27 -1.31 1.70 -1.05 -0.53 -0.66 118.70 116.60 2j6i s GLU 114 Ca -0.03 -1.63 -0.11 0.00 -0.15 0.00 0.00 54.97 53.05 2j6i s GLU 114 Cb -0.09 -0.48 0.14 0.00 -0.44 0.00 0.00 34.13 33.26 2j6i s GLU 114 CO 0.02 -0.12 1.91 0.28 0.95 0.00 0.00 175.26 178.29 2j6i n VAL 115 N -0.36 4.16 -1.71 1.83 0.31 -0.29 -4.42 118.33 117.85 2j6i n VAL 115 Ca -0.05 -4.16 -0.43 0.00 -0.01 0.00 0.00 64.34 59.69 2j6i n VAL 115 Cb 0.64 -2.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.14 2j6i n VAL 115 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2j6i n THR 116 N 3.83 1.38 0.00 2.52 -1.04 -1.26 -2.11 114.28 117.60 2j6i n THR 116 Ca 0.42 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2j6i n THR 116 Cb 0.37 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 2j6i n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j6i n GLY 117 N 1.58 2.97 0.25 3.41 0.00 -1.26 -4.92 105.19 107.22 2j6i n GLY 117 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 2j6i n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2j6i h SER 118 N 0.00 0.00 0.02 1.61 4.64 -1.81 -3.03 113.55 114.99 2j6i h SER 118 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j6i h SER 118 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2j6i h SER 118 CO 0.00 0.02 -1.23 -0.46 -0.87 0.00 0.00 176.83 174.29 2j6i n ASN 119 N -3.11 0.74 -0.06 4.97 2.04 -1.26 -4.72 115.26 113.86 2j6i n ASN 119 Ca 0.02 -0.72 -0.11 0.00 -0.44 0.00 0.00 54.58 53.32 2j6i n ASN 119 Cb 0.41 1.21 -0.05 0.00 -2.53 0.00 0.00 39.78 38.82 2j6i n ASN 119 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 2j6i h VAL 120 N 0.00 1.23 -0.47 3.53 2.07 -1.93 -1.45 116.25 119.23 2j6i h VAL 120 Ca 0.00 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 2j6i h VAL 120 Cb 0.63 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2j6i h VAL 120 CO 0.00 0.23 -0.00 0.58 0.02 0.00 0.00 177.57 178.40 2j6i h VAL 121 N 0.10 1.26 -0.56 2.57 2.07 -1.85 -0.16 116.25 119.69 2j6i h VAL 121 Ca 0.06 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.55 2j6i h VAL 121 Cb 0.32 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2j6i h VAL 121 CO 0.00 0.37 0.32 0.28 0.02 0.00 0.00 177.57 178.56 2j6i h SER 122 N 0.68 0.50 -0.23 0.57 0.02 -1.80 0.15 113.55 113.43 2j6i h SER 122 Ca 0.13 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 2j6i h SER 122 Cb 0.50 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2j6i h SER 122 CO 0.02 0.35 -0.44 0.58 -1.14 0.00 0.00 176.83 176.20 2j6i h VAL 123 N 0.62 1.31 -0.51 2.27 2.07 -1.15 -2.12 116.25 118.75 2j6i h VAL 123 Ca 0.23 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2j6i h VAL 123 Cb 0.07 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2j6i h VAL 123 CO -0.12 0.52 0.30 0.00 0.02 0.00 0.00 177.57 178.29 2j6i h ALA 124 N 0.63 0.65 -0.92 1.67 0.00 -0.54 -0.48 119.26 120.27 2j6i h ALA 124 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2j6i h ALA 124 Cb 1.04 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2j6i h ALA 124 CO 0.10 -0.00 0.60 0.93 0.00 0.00 0.00 179.25 180.88 2j6i h GLU 125 N 0.60 1.21 -0.74 0.00 5.08 -0.68 -1.88 114.58 118.17 2j6i h GLU 125 Ca 0.21 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2j6i h GLU 125 Cb 0.03 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 2j6i h GLU 125 CO -0.10 0.81 0.47 1.25 -1.00 0.00 0.00 179.01 180.44 2j6i h HIS 126 N 1.25 0.95 0.39 4.33 2.76 -0.56 0.20 115.15 124.47 2j6i h HIS 126 Ca 0.34 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 2j6i h HIS 126 Cb -0.13 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.51 2j6i h HIS 126 CO -0.01 0.62 -0.22 0.28 -1.30 0.00 0.00 177.93 177.31 2j6i h VAL 127 N 1.00 0.55 -0.69 5.26 2.07 -0.60 0.87 116.25 124.72 2j6i h VAL 127 Ca 0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 2j6i h VAL 127 Cb -0.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2j6i h VAL 127 CO -0.05 0.00 0.21 0.58 0.02 0.00 0.00 177.57 178.33 2j6i h VAL 128 N -0.57 1.25 -0.10 2.57 2.07 -1.15 0.31 116.25 120.63 2j6i h VAL 128 Ca -0.05 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.63 2j6i h VAL 128 Cb 0.46 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2j6i h VAL 128 CO 0.06 0.34 -0.04 -0.03 0.02 0.00 0.00 177.57 177.92 2j6i h MET 129 N 1.02 -0.02 -0.75 1.57 -1.53 -0.78 -1.35 114.93 113.08 2j6i h MET 129 Ca 0.22 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.45 2j6i h MET 129 Cb 0.29 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.31 2j6i h MET 129 CO -0.01 -0.02 0.31 1.15 0.14 0.00 0.00 176.91 178.49 2j6i h THR 130 N -0.02 1.25 -0.13 -0.77 2.02 -0.17 0.21 112.91 115.29 2j6i h THR 130 Ca 0.05 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.49 2j6i h THR 130 Cb 0.10 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2j6i h THR 130 CO -0.12 0.31 0.00 0.24 0.37 0.00 0.00 175.52 176.33 2j6i h MET 131 N 1.08 0.05 -0.54 6.66 2.86 -0.77 -0.56 114.93 123.72 2j6i h MET 131 Ca 0.25 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2j6i h MET 131 Cb 0.18 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2j6i h MET 131 CO -0.02 0.03 0.08 -0.07 1.06 0.00 0.00 176.91 177.99 2j6i h LEU 132 N 0.05 0.86 -0.35 1.22 3.38 -0.46 0.56 115.31 120.56 2j6i h LEU 132 Ca 0.06 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2j6i h LEU 132 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2j6i h LEU 132 CO -0.10 0.90 0.20 0.58 0.09 0.00 0.00 178.44 180.12 2j6i h VAL 133 N 0.78 1.03 0.17 1.22 2.07 -0.40 -0.24 116.25 120.88 2j6i h VAL 133 Ca 0.16 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2j6i h VAL 133 Cb 0.41 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2j6i h VAL 133 CO 0.01 0.08 -0.08 -0.07 0.02 0.00 0.00 177.57 177.52 2j6i h LEU 134 N 0.41 -0.20 -0.71 2.57 3.38 -0.92 -0.22 115.31 119.62 2j6i h LEU 134 Ca 0.14 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2j6i h LEU 134 Cb 0.01 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2j6i h LEU 134 CO -0.07 0.26 0.39 0.58 0.09 0.00 0.00 178.44 179.70 2j6i h VAL 135 N -0.72 0.93 -0.01 1.22 2.07 -0.83 -2.08 116.25 116.84 2j6i h VAL 135 Ca -0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2j6i h VAL 135 Cb 0.50 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2j6i h VAL 135 CO 0.04 0.13 -0.02 0.54 0.02 0.00 0.00 177.57 178.28 2j6i n ARG 136 N -4.79 1.50 -3.40 1.57 1.74 -0.11 -0.74 116.66 112.44 2j6i n ARG 136 Ca 0.10 -0.81 -0.20 0.00 -0.77 0.00 0.00 57.85 56.18 2j6i n ARG 136 Cb 0.21 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.24 2j6i n ARG 136 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2j6i n ASN 137 N -0.04 -5.33 -0.14 0.55 5.15 -0.78 -4.68 115.26 109.98 2j6i n ASN 137 Ca 0.19 -0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 53.62 2j6i n ASN 137 Cb 0.33 -4.32 0.05 0.00 -0.53 0.00 0.00 39.78 35.31 2j6i n ASN 137 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2j6i h PHE 138 N -2.21 1.04 0.51 1.20 3.57 -1.32 -3.23 116.94 116.50 2j6i h PHE 138 Ca -0.48 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 60.77 2j6i h PHE 138 Cb 1.31 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2j6i h PHE 138 CO 0.41 1.01 -0.27 0.28 -2.23 0.00 0.00 178.31 177.51 2j6i h VAL 139 N 0.82 0.44 0.00 1.41 2.07 -1.92 -0.89 116.25 118.18 2j6i h VAL 139 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 2j6i h VAL 139 Cb 0.70 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2j6i h VAL 139 CO 0.05 0.00 -0.10 1.55 0.02 0.00 0.00 177.57 179.10 2j6i h PRO 140 N -0.73 0.00 0.08 1.57 0.13 -1.93 -1.62 132.00 129.49 2j6i h PRO 140 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2j6i h PRO 140 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2j6i h PRO 140 CO 0.09 0.10 -0.04 0.00 -0.23 0.00 0.00 178.00 177.92 2j6i h ALA 141 N 1.90 -0.10 -0.56 -0.56 0.00 -1.43 -1.74 119.26 116.77 2j6i h ALA 141 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2j6i h ALA 141 Cb 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2j6i h ALA 141 CO 0.01 -0.40 0.09 1.25 0.00 0.00 0.00 179.25 180.20 2j6i h HIS 142 N -0.42 0.94 -0.74 0.00 -0.00 -0.82 -2.91 115.15 111.21 2j6i h HIS 142 Ca -0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2j6i h HIS 142 Cb 0.36 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 2j6i h HIS 142 CO 0.03 0.81 0.46 0.93 -0.00 0.00 0.00 177.93 180.16 2j6i h GLU 143 N 0.85 0.99 -0.07 5.26 4.39 -1.19 -2.22 114.58 122.59 2j6i h GLU 143 Ca 0.18 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.83 2j6i h GLU 143 Cb 0.38 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2j6i h GLU 143 CO 0.01 0.68 -0.10 1.96 -1.16 0.00 0.00 179.01 180.40 2j6i h GLN 144 N 1.01 -0.13 0.31 2.33 4.20 -1.12 -1.58 115.11 120.13 2j6i h GLN 144 Ca 0.27 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2j6i h GLN 144 Cb -0.07 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2j6i h GLN 144 CO -0.05 -0.09 -0.27 0.82 -0.67 0.00 0.00 178.83 178.57 2j6i h ILE 145 N -0.14 0.43 0.00 2.54 1.08 -1.32 0.89 117.51 120.99 2j6i h ILE 145 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2j6i h ILE 145 Cb 0.23 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 2j6i h ILE 145 CO -0.15 0.00 0.00 0.16 -0.69 0.00 0.00 178.15 177.47 2j6i h ILE 146 N -0.60 0.00 -0.35 -0.67 3.07 -1.45 -0.28 117.51 117.24 2j6i h ILE 146 Ca -0.02 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2j6i h ILE 146 Cb 0.54 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 2j6i h ILE 146 CO -0.03 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.66 2j6i n ASN 147 N -2.73 2.01 -2.04 2.16 3.02 -0.60 -4.92 115.26 112.17 2j6i n ASN 147 Ca 0.01 -2.04 -0.20 0.00 -0.03 0.00 0.00 54.58 52.32 2j6i n ASN 147 Cb 0.28 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 2j6i n ASN 147 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2j6i n HIS 148 N 0.51 -0.62 -3.45 3.10 8.25 -0.11 -4.99 115.22 117.91 2j6i n HIS 148 Ca 0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.36 2j6i n HIS 148 Cb 0.33 -3.70 0.01 0.00 1.12 0.00 0.00 29.99 27.75 2j6i n HIS 148 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2j6i s ASP 149 N -2.34 4.99 -0.29 0.41 -0.00 0.25 -5.02 116.67 114.67 2j6i s ASP 149 Ca 0.00 -0.91 -0.02 0.00 -0.00 0.00 0.00 52.55 51.62 2j6i s ASP 149 Cb 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 42.92 43.12 2j6i s ASP 149 CO 0.00 -1.02 0.77 0.86 -0.00 0.00 0.00 175.17 175.78 2j6i s TRP 150 N -2.62 -1.30 -0.42 4.23 -0.11 -1.26 -4.14 118.94 113.32 2j6i s TRP 150 Ca 0.48 0.91 0.04 0.00 1.22 0.00 0.00 56.10 58.76 2j6i s TRP 150 Cb -0.04 0.28 0.17 0.00 -1.50 0.00 0.00 33.47 32.37 2j6i s TRP 150 CO 0.30 -0.75 0.45 -2.00 -4.62 0.00 0.00 176.95 170.33 2j6i s GLU 151 N 2.88 0.82 0.18 5.86 2.12 -1.26 -5.04 118.70 124.26 2j6i s GLU 151 Ca 0.15 -1.24 -0.15 0.00 0.36 0.00 0.00 54.97 54.09 2j6i s GLU 151 Cb -0.09 -0.74 0.15 0.00 0.26 0.00 0.00 34.13 33.71 2j6i s GLU 151 CO -0.23 -1.28 1.69 0.28 -0.54 0.00 0.00 175.26 175.18 2j6i h VAL 152 N 4.91 0.64 -0.86 3.70 2.07 -2.01 -1.79 116.25 122.91 2j6i h VAL 152 Ca 0.11 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.78 2j6i h VAL 152 Cb 1.03 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2j6i h VAL 152 CO 0.20 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.37 2j6i h ALA 153 N 1.40 2.09 0.00 1.67 0.00 -1.97 0.22 119.26 122.68 2j6i h ALA 153 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2j6i h ALA 153 Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2j6i h ALA 153 CO -0.38 -0.35 -0.09 0.00 0.00 0.00 0.00 179.25 178.43 2j6i h ALA 154 N 1.62 1.19 0.01 0.00 0.00 -1.76 -2.18 119.26 118.14 2j6i h ALA 154 Ca 0.44 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.90 2j6i h ALA 154 Cb 0.98 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2j6i h ALA 154 CO -0.17 0.11 -2.01 -0.89 0.00 0.00 0.00 179.25 176.29 2j6i n ILE 155 N -3.47 1.55 0.14 0.00 2.08 0.23 -4.48 119.36 115.41 2j6i n ILE 155 Ca -0.02 -0.29 0.05 0.00 0.56 0.00 0.00 62.75 63.06 2j6i n ILE 155 Cb 0.23 -1.89 0.49 0.00 -0.75 0.00 0.00 39.64 37.72 2j6i n ILE 155 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2j6i h ALA 156 N -0.63 1.75 0.00 -1.39 0.00 -0.67 -2.37 119.26 115.94 2j6i h ALA 156 Ca -0.54 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2j6i h ALA 156 Cb 1.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2j6i h ALA 156 CO -0.28 0.20 0.04 1.57 0.00 0.00 0.00 179.25 180.78 2j6i h LYS 157 N 0.22 0.00 -0.16 0.00 2.10 -1.61 -2.39 116.57 114.73 2j6i h LYS 157 Ca 0.06 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.51 2j6i h LYS 157 Cb 0.12 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 31.12 2j6i h LYS 157 CO -0.00 0.00 -0.95 -3.47 -2.00 0.00 0.00 179.45 173.03 2j6i n ASP 158 N -2.61 1.55 -4.33 7.07 2.03 -0.90 -5.06 116.55 114.30 2j6i n ASP 158 Ca -0.02 -2.46 -0.32 0.00 0.52 0.00 0.00 54.79 52.51 2j6i n ASP 158 Cb 0.09 -0.38 -0.15 0.00 -0.72 0.00 0.00 41.12 39.95 2j6i n ASP 158 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j6i s ALA 159 N -1.71 2.44 0.27 -1.67 0.00 -0.90 -4.43 121.76 115.76 2j6i s ALA 159 Ca 0.34 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2j6i s ALA 159 Cb 0.37 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 2j6i s ALA 159 CO -0.11 0.32 0.01 0.71 0.00 0.00 0.00 175.76 176.70 2j6i s TYR 160 N 0.14 1.74 0.26 0.00 1.51 0.08 -4.96 117.35 116.12 2j6i s TYR 160 Ca -0.09 -0.92 -0.12 0.00 -1.01 0.00 0.00 57.07 54.93 2j6i s TYR 160 Cb -0.15 -1.05 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 2j6i s TYR 160 CO 0.06 0.00 0.62 -0.51 -1.11 0.00 0.00 175.55 174.60 2j6i s ASP 161 N -3.38 6.69 0.35 2.29 1.01 -1.26 -3.56 116.67 118.81 2j6i s ASP 161 Ca 0.32 1.06 0.18 0.00 0.71 0.00 0.00 52.55 54.81 2j6i s ASP 161 Cb 0.06 -2.28 0.56 0.00 1.01 0.00 0.00 42.92 42.28 2j6i s ASP 161 CO 0.12 -0.11 1.68 -0.29 0.21 0.00 0.00 175.17 176.78 2j6i h ILE 162 N 2.04 0.92 -2.77 0.77 2.10 -1.92 -3.44 117.51 115.20 2j6i h ILE 162 Ca -0.47 -1.68 -0.59 0.00 1.08 0.00 0.00 64.86 63.19 2j6i h ILE 162 Cb 1.17 2.02 0.11 0.00 -1.09 0.00 0.00 36.82 39.03 2j6i h ILE 162 CO 0.68 0.41 0.31 1.21 -1.08 0.00 0.00 178.15 179.67 2j6i n GLU 163 N -3.49 1.68 -0.96 2.19 2.13 -1.24 -2.33 120.64 118.61 2j6i n GLU 163 Ca 0.00 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.41 2j6i n GLU 163 Cb 0.55 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2j6i n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2j6i n GLY 164 N 1.15 1.06 3.85 8.31 0.00 -0.24 -4.87 105.19 114.45 2j6i n GLY 164 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2j6i n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j6i s LYS 165 N -0.01 3.93 -0.22 1.61 -0.14 -0.98 -3.90 119.74 120.03 2j6i s LYS 165 Ca 0.00 0.45 -0.19 0.00 -1.36 0.00 0.00 55.97 54.88 2j6i s LYS 165 Cb 0.00 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 2j6i s LYS 165 CO 0.00 0.37 0.53 0.99 -0.76 0.00 0.00 175.35 176.48 2j6i s THR 166 N -1.67 5.08 -0.10 2.17 2.01 -1.26 -0.78 115.64 121.09 2j6i s THR 166 Ca 0.44 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.44 2j6i s THR 166 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.53 2j6i s THR 166 CO 0.20 0.14 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.42 2j6i s ILE 167 N 1.89 1.90 -0.03 1.82 1.01 -0.23 -0.18 121.20 127.38 2j6i s ILE 167 Ca 0.24 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2j6i s ILE 167 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2j6i s ILE 167 CO 0.09 0.52 -0.21 0.00 0.00 0.00 0.00 174.94 175.34 2j6i s ALA 168 N 0.46 1.83 -0.12 9.38 0.00 0.46 -0.64 121.76 133.12 2j6i s ALA 168 Ca -0.17 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2j6i s ALA 168 Cb -0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2j6i s ALA 168 CO 0.07 0.39 -0.07 -0.08 0.00 0.00 0.00 175.76 176.07 2j6i s THR 169 N -0.27 3.60 -0.62 0.00 -1.32 -0.29 -0.52 115.64 116.21 2j6i s THR 169 Ca 0.02 -0.48 -0.21 0.00 -1.21 0.00 0.00 61.69 59.81 2j6i s THR 169 Cb -0.11 -2.53 0.08 0.00 -1.51 0.00 0.00 72.50 68.43 2j6i s THR 169 CO 0.01 0.53 0.84 -0.63 -2.21 0.00 0.00 174.62 173.17 2j6i s ILE 170 N 0.01 4.55 0.00 5.08 1.01 0.20 -1.27 121.20 130.77 2j6i s ILE 170 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2j6i s ILE 170 Cb -0.14 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.76 2j6i s ILE 170 CO 0.03 -1.27 0.00 0.61 0.00 0.00 0.00 174.94 174.31 2j6i n GLY 171 N 5.29 1.93 2.23 6.18 0.00 0.83 -0.46 105.19 121.18 2j6i n GLY 171 Ca -0.06 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2j6i n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6i n ALA 172 N 2.69 4.09 -1.00 4.61 0.00 -1.26 -4.48 120.51 125.16 2j6i n ALA 172 Ca 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.05 2j6i n ALA 172 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2j6i n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j6i n GLY 173 N -0.66 -0.79 0.13 0.00 0.00 -1.26 -3.95 105.19 98.65 2j6i n GLY 173 Ca 0.30 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 2j6i n GLY 173 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j6i h ARG 174 N 0.00 0.35 0.07 1.61 3.08 -1.96 0.38 114.38 117.91 2j6i h ARG 174 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2j6i h ARG 174 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2j6i h ARG 174 CO 0.00 0.25 -0.04 0.82 -1.07 0.00 0.00 179.97 179.93 2j6i h ILE 175 N 0.35 1.21 -0.58 2.04 2.04 -1.91 -2.78 117.51 117.88 2j6i h ILE 175 Ca 0.10 -1.33 0.11 0.00 1.00 0.00 0.00 64.86 64.74 2j6i h ILE 175 Cb -0.02 2.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.99 2j6i h ILE 175 CO -0.02 0.31 0.07 1.23 0.00 0.00 0.00 178.15 179.75 2j6i h GLY 176 N -0.74 0.69 1.00 5.37 0.00 -1.76 0.40 103.07 108.03 2j6i h GLY 176 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2j6i h GLY 176 CO 0.02 -0.14 0.20 -1.82 0.00 0.00 0.00 176.54 174.80 2j6i h TYR 177 N 0.20 0.95 -0.19 5.60 3.20 -1.01 -1.66 116.97 124.06 2j6i h TYR 177 Ca 0.30 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2j6i h TYR 177 Cb 0.46 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2j6i h TYR 177 CO -0.28 0.78 -0.31 0.00 -1.64 0.00 0.00 178.16 176.70 2j6i h ARG 178 N 0.84 0.38 -0.06 1.82 2.47 -0.98 0.38 114.38 119.24 2j6i h ARG 178 Ca 0.19 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2j6i h ARG 178 Cb 0.27 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2j6i h ARG 178 CO -0.01 0.65 -0.04 0.28 0.56 0.00 0.00 179.97 181.41 2j6i h VAL 179 N 0.33 0.87 -0.78 2.04 2.07 -0.78 -1.70 116.25 118.30 2j6i h VAL 179 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2j6i h VAL 179 Cb 0.72 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2j6i h VAL 179 CO 0.05 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 178.06 2j6i h LEU 180 N -0.05 0.78 -0.74 2.57 3.38 -0.73 -1.58 115.31 118.94 2j6i h LEU 180 Ca 0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2j6i h LEU 180 Cb 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2j6i h LEU 180 CO -0.09 0.53 0.47 -0.33 0.09 0.00 0.00 178.44 179.11 2j6i h GLU 181 N 0.93 0.88 0.00 1.13 5.08 -0.74 -2.26 114.58 119.59 2j6i h GLU 181 Ca 0.32 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2j6i h GLU 181 Cb 0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2j6i h GLU 181 CO -0.14 0.58 -0.15 0.00 -1.00 0.00 0.00 179.01 178.31 2j6i h ARG 182 N 0.91 0.00 0.00 2.33 3.08 -0.84 -3.13 114.38 116.73 2j6i h ARG 182 Ca 0.30 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.20 2j6i h ARG 182 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2j6i h ARG 182 CO -0.12 0.15 -0.89 -0.07 -1.07 0.00 0.00 179.97 177.97 2j6i h LEU 183 N 0.00 0.00 -0.74 3.04 3.38 -0.73 -3.39 115.31 116.87 2j6i h LEU 183 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2j6i h LEU 183 Cb 0.66 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 2j6i h LEU 183 CO 0.02 0.62 -0.30 0.58 0.09 0.00 0.00 178.44 179.45 2j6i h VAL 184 N 0.00 0.15 0.00 1.22 2.07 -1.41 -0.80 116.25 117.48 2j6i h VAL 184 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2j6i h VAL 184 Cb 1.53 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2j6i h VAL 184 CO 0.07 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.85 2j6i n PRO 185 N -5.47 0.55 -0.00 1.57 -0.04 -1.26 -2.48 135.00 127.87 2j6i n PRO 185 Ca 0.08 0.03 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 2j6i n PRO 185 Cb 0.38 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.07 2j6i n PRO 185 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2j6i n PHE 186 N -1.14 0.01 -3.58 0.54 3.01 -0.31 -4.96 117.46 111.03 2j6i n PHE 186 Ca 0.15 -0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.38 2j6i n PHE 186 Cb 0.14 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.65 2j6i n PHE 186 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2j6i n ASN 187 N -0.44 -3.57 -4.74 4.37 5.15 -1.04 -3.73 115.26 111.26 2j6i n ASN 187 Ca 0.21 -0.84 -0.33 0.00 -0.60 0.00 0.00 54.58 53.02 2j6i n ASN 187 Cb 0.22 -4.21 0.09 0.00 -0.53 0.00 0.00 39.78 35.35 2j6i n ASN 187 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2j6i s PRO 188 N -5.58 2.24 0.20 1.20 0.04 -1.26 -1.07 135.00 130.77 2j6i s PRO 188 Ca 0.23 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 2j6i s PRO 188 Cb -0.06 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.77 2j6i s PRO 188 CO 0.80 -1.72 1.84 -0.22 0.04 0.00 0.00 177.00 177.74 2j6i h LYS 189 N -0.43 0.75 -1.92 4.56 3.64 -1.07 -3.42 116.57 118.69 2j6i h LYS 189 Ca -0.47 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 2j6i h LYS 189 Cb 1.27 -0.17 -0.20 0.00 -0.41 0.00 0.00 32.23 32.72 2j6i h LYS 189 CO 0.50 0.50 0.25 -2.00 -2.27 0.00 0.00 179.45 176.43 2j6i s GLU 190 N -6.13 0.96 -0.17 1.90 2.12 -1.23 -4.98 118.70 111.17 2j6i s GLU 190 Ca -0.13 0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.45 2j6i s GLU 190 Cb 0.14 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.96 2j6i s GLU 190 CO 0.76 -0.29 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.66 2j6i s LEU 191 N -1.06 3.31 0.18 2.70 1.43 -1.26 -1.07 118.68 122.91 2j6i s LEU 191 Ca -0.09 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 2j6i s LEU 191 Cb -0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2j6i s LEU 191 CO 0.08 0.14 -0.19 -0.76 0.23 0.00 0.00 176.35 175.85 2j6i s LEU 192 N 0.52 2.46 -0.00 1.79 1.43 0.19 -1.46 118.68 123.61 2j6i s LEU 192 Ca -0.02 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 2j6i s LEU 192 Cb -0.14 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.18 2j6i s LEU 192 CO 0.02 -0.01 0.14 -0.72 0.23 0.00 0.00 176.35 176.01 2j6i s TYR 193 N -2.07 0.02 -0.07 0.29 -0.85 -0.72 -1.14 117.35 112.80 2j6i s TYR 193 Ca 0.18 -0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.69 2j6i s TYR 193 Cb -0.06 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.23 2j6i s TYR 193 CO 0.08 -0.26 -0.16 -0.47 -1.52 0.00 0.00 175.55 173.21 2j6i s TYR 194 N -1.21 2.67 0.25 -3.49 5.04 -0.40 -0.58 117.35 119.64 2j6i s TYR 194 Ca -0.13 -0.40 -0.22 0.00 -2.44 0.00 0.00 57.07 53.88 2j6i s TYR 194 Cb -0.07 -1.68 0.03 0.00 0.35 0.00 0.00 41.96 40.59 2j6i s TYR 194 CO 0.01 -0.00 0.73 0.34 -1.34 0.00 0.00 175.55 175.29 2j6i s ASP 195 N -0.32 -0.29 0.00 4.32 -1.08 -1.26 -0.12 116.67 117.92 2j6i s ASP 195 Ca 0.02 -0.52 0.28 0.00 -0.52 0.00 0.00 52.55 51.81 2j6i s ASP 195 Cb -0.13 0.69 1.10 0.00 -1.46 0.00 0.00 42.92 43.13 2j6i s ASP 195 CO 0.02 -1.27 1.81 -1.22 0.52 0.00 0.00 175.17 175.04 2j6i n TYR 196 N -0.45 0.00 -3.84 -5.34 4.02 -1.26 -4.80 117.16 105.50 2j6i n TYR 196 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.72 2j6i n TYR 196 Cb 0.60 -0.33 -0.09 0.00 -0.02 0.00 0.00 39.34 39.50 2j6i n TYR 196 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2j6i s GLN 197 N -2.80 0.62 0.49 -0.72 -2.07 -1.26 -5.15 119.66 108.76 2j6i s GLN 197 Ca 0.19 -0.47 -0.21 0.00 -1.82 0.00 0.00 55.36 53.05 2j6i s GLN 197 Cb 0.19 0.26 -0.07 0.00 -1.09 0.00 0.00 33.01 32.30 2j6i s GLN 197 CO 0.54 -0.17 1.12 0.00 -1.32 0.00 0.00 175.29 175.47 2j6i s ALA 198 N -1.93 2.87 0.13 2.60 0.00 -1.26 -4.98 121.76 119.19 2j6i s ALA 198 Ca -0.10 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 2j6i s ALA 198 Cb -0.04 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 2j6i s ALA 198 CO -0.00 -0.61 1.82 -0.51 0.00 0.00 0.00 175.76 176.45 2j6i s LEU 199 N -3.33 4.40 0.03 0.00 1.43 -1.26 -4.98 118.68 114.96 2j6i s LEU 199 Ca 0.67 2.78 -0.22 0.00 -1.03 0.00 0.00 54.13 56.33 2j6i s LEU 199 Cb -0.25 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.29 2j6i s LEU 199 CO 0.29 -1.00 0.55 -0.81 0.23 0.00 0.00 176.35 175.61 2j6i n PRO 200 N 5.47 0.00 -0.23 1.29 -0.04 -1.26 -4.49 135.00 135.74 2j6i n PRO 200 Ca 0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 2j6i n PRO 200 Cb 0.38 -0.81 0.16 0.00 -0.04 0.00 0.00 33.50 33.18 2j6i n PRO 200 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2j6i h LYS 201 N 1.49 0.24 0.00 0.54 3.64 -1.99 0.08 116.57 120.57 2j6i h LYS 201 Ca -0.27 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 2j6i h LYS 201 Cb 0.83 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2j6i h LYS 201 CO 0.37 0.16 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.09 2j6i h ASP 202 N 0.24 0.00 -0.01 4.20 5.19 -1.99 -1.41 116.42 122.65 2j6i h ASP 202 Ca 0.38 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.56 2j6i h ASP 202 Cb 0.63 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.16 2j6i h ASP 202 CO -0.50 0.18 -0.91 0.00 -3.12 0.00 0.00 179.24 174.90 2j6i h ALA 203 N 1.82 0.12 -0.67 3.45 0.00 -1.38 -2.74 119.26 119.86 2j6i h ALA 203 Ca -0.00 -0.66 0.11 0.00 0.00 0.00 0.00 54.91 54.37 2j6i h ALA 203 Cb 1.05 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2j6i h ALA 203 CO 0.02 0.59 0.26 1.49 0.00 0.00 0.00 179.25 181.61 2j6i h GLU 204 N 0.27 0.41 0.00 0.00 4.81 -0.68 -2.69 114.58 116.70 2j6i h GLU 204 Ca -0.11 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2j6i h GLU 204 Cb 1.57 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 2j6i h GLU 204 CO 0.18 0.27 -0.14 0.93 -0.73 0.00 0.00 179.01 179.52 2j6i h GLU 205 N 0.43 0.00 0.00 1.92 5.08 -1.30 -2.01 114.58 118.69 2j6i h GLU 205 Ca 0.35 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2j6i h GLU 205 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2j6i h GLU 205 CO -0.35 0.14 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.10 2j6i h LYS 206 N 0.00 0.00 -0.01 2.33 3.64 -1.16 -3.06 116.57 118.31 2j6i h LYS 206 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2j6i h LYS 206 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2j6i h LYS 206 CO 0.02 0.48 -0.14 1.33 -2.27 0.00 0.00 179.45 178.87 2j6i n VAL 207 N -3.73 0.00 -2.38 2.00 0.24 -1.19 -4.99 118.33 108.28 2j6i n VAL 207 Ca -0.01 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.72 2j6i n VAL 207 Cb 0.54 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 2j6i n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j6i n GLY 208 N 0.90 -0.16 3.82 7.63 0.00 -0.97 -4.82 105.19 111.60 2j6i n GLY 208 Ca 0.07 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2j6i n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6i s ALA 209 N -2.74 3.23 -0.12 4.61 0.00 -0.80 -4.41 121.76 121.53 2j6i s ALA 209 Ca 0.05 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2j6i s ALA 209 Cb -0.02 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2j6i s ALA 209 CO 0.06 0.24 -0.17 0.50 0.00 0.00 0.00 175.76 176.39 2j6i s ARG 210 N -2.63 3.24 0.07 0.00 3.52 -0.53 -4.81 118.95 117.80 2j6i s ARG 210 Ca 0.53 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 55.07 2j6i s ARG 210 Cb -0.13 -2.51 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 2j6i s ARG 210 CO 0.18 0.17 1.05 0.50 -0.81 0.00 0.00 175.30 176.39 2j6i s ARG 211 N 0.43 4.56 -0.15 5.12 3.52 -1.26 -1.75 118.95 129.41 2j6i s ARG 211 Ca -0.13 1.56 -0.03 0.00 -0.13 0.00 0.00 55.73 57.00 2j6i s ARG 211 Cb -0.17 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2j6i s ARG 211 CO 0.06 -0.03 -0.04 0.08 -0.81 0.00 0.00 175.30 174.56 2j6i s VAL 212 N 0.62 3.87 0.34 7.11 1.01 0.25 -4.91 120.40 128.68 2j6i s VAL 212 Ca 0.52 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 62.24 2j6i s VAL 212 Cb -0.25 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.51 2j6i s VAL 212 CO 0.30 0.50 1.77 -0.33 0.00 0.00 0.00 175.10 177.34 2j6i h GLU 213 N 6.66 0.08 -4.61 2.72 3.07 -1.96 -3.40 114.58 117.14 2j6i h GLU 213 Ca -0.31 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.30 2j6i h GLU 213 Cb 1.19 -0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.95 2j6i h GLU 213 CO 0.62 0.47 -0.69 0.54 -1.40 0.00 0.00 179.01 178.55 2j6i s ASN 214 N -6.91 1.04 0.12 1.42 4.22 -1.26 -4.97 114.94 108.60 2j6i s ASN 214 Ca -0.03 -1.03 -0.15 0.00 -2.14 0.00 0.00 52.86 49.51 2j6i s ASN 214 Cb 0.14 0.12 -0.03 0.00 1.28 0.00 0.00 41.25 42.75 2j6i s ASN 214 CO 0.74 -0.50 1.54 0.40 -2.04 0.00 0.00 177.10 177.24 2j6i h ILE 215 N 2.96 1.27 -0.33 0.54 2.04 -2.00 -2.33 117.51 119.66 2j6i h ILE 215 Ca -0.35 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 64.47 2j6i h ILE 215 Cb 1.17 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2j6i h ILE 215 CO 0.64 0.36 -0.01 -0.08 0.00 0.00 0.00 178.15 179.07 2j6i h GLU 216 N 0.51 0.08 -0.44 2.37 4.81 -1.97 -0.67 114.58 119.27 2j6i h GLU 216 Ca 0.10 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2j6i h GLU 216 Cb 0.55 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2j6i h GLU 216 CO 0.03 0.05 0.04 1.49 -0.73 0.00 0.00 179.01 179.90 2j6i h GLU 217 N 0.09 0.69 0.54 1.92 4.81 -1.95 -1.59 114.58 119.09 2j6i h GLU 217 Ca 0.16 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2j6i h GLU 217 Cb 0.22 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.51 2j6i h GLU 217 CO -0.28 0.68 -0.26 1.25 -0.73 0.00 0.00 179.01 179.67 2j6i h LEU 218 N 0.66 -0.61 -1.04 1.64 5.85 -0.72 -3.22 115.31 117.86 2j6i h LEU 218 Ca 0.14 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2j6i h LEU 218 Cb 0.35 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2j6i h LEU 218 CO 0.01 -0.37 -0.41 -0.37 -0.34 0.00 0.00 178.44 176.95 2j6i h VAL 219 N -0.82 1.08 0.00 1.05 -1.51 -1.05 -3.12 116.25 111.88 2j6i h VAL 219 Ca -0.07 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 63.85 2j6i h VAL 219 Cb 0.59 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2j6i h VAL 219 CO 0.12 0.41 -0.06 0.00 -1.23 0.00 0.00 177.57 176.80 2j6i h ALA 220 N 1.59 1.82 -0.02 5.19 0.00 -1.30 -2.88 119.26 123.67 2j6i h ALA 220 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2j6i h ALA 220 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2j6i h ALA 220 CO 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 179.25 179.27 2j6i n GLN 221 N -4.36 1.47 -3.34 0.00 10.64 -1.18 -4.18 117.38 116.42 2j6i n GLN 221 Ca -0.03 -1.26 -0.38 0.00 -1.83 0.00 0.00 57.00 53.50 2j6i n GLN 221 Cb 0.15 -1.30 -0.06 0.00 -0.86 0.00 0.00 30.24 28.16 2j6i n GLN 221 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2j6i s ALA 222 N -1.58 3.51 0.11 2.61 0.00 -1.09 -4.79 121.76 120.54 2j6i s ALA 222 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 2j6i s ALA 222 Cb 0.14 -2.61 -0.15 0.00 0.00 0.00 0.00 23.12 20.50 2j6i s ALA 222 CO 0.28 0.09 1.26 -0.44 0.00 0.00 0.00 175.76 176.95 2j6i h ASP 223 N 6.31 0.56 -3.58 0.00 3.32 -0.89 -3.38 116.42 118.75 2j6i h ASP 223 Ca -0.43 -0.47 -0.49 0.00 0.02 0.00 0.00 57.03 55.66 2j6i h ASP 223 Cb 1.19 -0.17 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 2j6i h ASP 223 CO 0.73 1.29 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.10 2j6i s ILE 224 N -3.14 1.03 -0.03 0.35 1.01 -0.88 -1.26 121.20 118.27 2j6i s ILE 224 Ca -0.06 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.21 2j6i s ILE 224 Cb 0.08 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 2j6i s ILE 224 CO 0.88 0.32 -0.24 -0.69 0.00 0.00 0.00 174.94 175.21 2j6i s VAL 225 N 0.50 1.95 -0.02 2.92 1.01 -0.17 -0.41 120.40 126.19 2j6i s VAL 225 Ca -0.10 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.88 2j6i s VAL 225 Cb -0.13 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2j6i s VAL 225 CO 0.02 0.55 -0.14 0.28 0.00 0.00 0.00 175.10 175.82 2j6i s THR 226 N -0.44 1.10 -0.29 3.92 -1.32 0.32 -1.07 115.64 117.85 2j6i s THR 226 Ca 0.05 -0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 59.84 2j6i s THR 226 Cb -0.11 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2j6i s THR 226 CO 0.00 0.32 0.19 -0.69 -2.21 0.00 0.00 174.62 172.23 2j6i s VAL 227 N -0.21 5.13 -0.35 5.08 1.01 -0.27 -0.63 120.40 130.16 2j6i s VAL 227 Ca 0.03 -0.02 0.15 0.00 0.00 0.00 0.00 61.98 62.14 2j6i s VAL 227 Cb -0.07 -3.50 0.40 0.00 0.00 0.00 0.00 36.38 33.21 2j6i s VAL 227 CO -0.00 0.18 0.84 0.59 0.00 0.00 0.00 175.10 176.71 2j6i n ASN 228 N 5.05 1.03 -4.24 3.32 3.02 0.39 -3.81 115.26 120.03 2j6i n ASN 228 Ca -0.14 -2.88 -0.22 0.00 -0.03 0.00 0.00 54.58 51.32 2j6i n ASN 228 Cb 0.51 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 39.03 2j6i n ASN 228 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j6i s ALA 229 N -2.68 1.53 0.69 5.41 0.00 -1.14 -4.22 121.76 121.35 2j6i s ALA 229 Ca 0.34 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2j6i s ALA 229 Cb 0.40 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2j6i s ALA 229 CO -0.03 0.28 1.13 -2.14 0.00 0.00 0.00 175.76 175.00 2j6i s PRO 230 N -1.81 2.58 -0.29 0.00 0.02 -1.26 -4.59 135.00 129.65 2j6i s PRO 230 Ca 0.03 1.44 -0.27 0.00 0.02 0.00 0.00 61.00 62.22 2j6i s PRO 230 Cb -0.10 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.51 2j6i s PRO 230 CO 0.03 -1.43 0.96 -1.17 -0.33 0.00 0.00 177.00 175.06 2j6i s LEU 231 N -5.05 4.03 0.00 -5.54 2.96 -1.26 -4.74 118.68 109.08 2j6i s LEU 231 Ca 0.68 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 2j6i s LEU 231 Cb -0.22 -3.37 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2j6i s LEU 231 CO 0.44 -0.72 0.00 0.00 -1.32 0.00 0.00 176.35 174.75 2j6i n HIS 232 N 6.47 -0.16 0.00 5.38 1.44 -1.26 -5.00 115.22 122.09 2j6i n HIS 232 Ca 0.09 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.81 2j6i n HIS 232 Cb 0.47 0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.91 2j6i n HIS 232 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2j6i h ALA 233 N 1.60 1.45 0.00 1.59 0.00 -1.95 -0.98 119.26 120.97 2j6i h ALA 233 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2j6i h ALA 233 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2j6i h ALA 233 CO 0.00 0.40 0.00 0.78 0.00 0.00 0.00 179.25 180.43 2j6i h GLY 234 N 0.77 0.00 0.00 0.00 0.00 -1.96 -3.35 103.07 98.53 2j6i h GLY 234 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2j6i h GLY 234 CO 0.00 0.00 -0.73 -1.30 0.00 0.00 0.00 176.54 174.52 2j6i n THR 235 N -2.74 0.00 -1.97 4.70 -2.24 -0.94 -4.79 114.28 106.30 2j6i n THR 235 Ca 0.04 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 2j6i n THR 235 Cb 0.42 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 2j6i n THR 235 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2j6i s LYS 236 N -1.83 4.20 -1.73 -0.78 2.20 -0.41 -1.50 119.74 119.88 2j6i s LYS 236 Ca -0.00 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 2j6i s LYS 236 Cb 0.02 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2j6i s LYS 236 CO 0.13 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 2j6i n GLY 237 N 4.01 0.30 0.11 5.54 0.00 -0.22 -4.90 105.19 110.03 2j6i n GLY 237 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2j6i n GLY 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j6i h LEU 238 N 0.00 0.25 -7.84 0.99 5.85 0.20 -3.32 115.31 111.43 2j6i h LEU 238 Ca -0.43 -0.10 -0.71 0.00 0.84 0.00 0.00 57.88 57.49 2j6i h LEU 238 Cb 1.29 -0.06 -0.16 0.00 0.37 0.00 0.00 40.66 42.10 2j6i h LEU 238 CO 0.54 0.28 1.31 -0.63 -0.34 0.00 0.00 178.44 179.60 2j6i s ILE 239 N -5.81 4.76 0.52 4.05 -1.09 0.24 -4.72 121.20 119.15 2j6i s ILE 239 Ca -0.13 -2.11 0.04 0.00 -2.23 0.00 0.00 60.65 56.21 2j6i s ILE 239 Cb 0.08 -4.92 0.01 0.00 -1.58 0.00 0.00 42.46 36.05 2j6i s ILE 239 CO 0.70 -1.66 0.20 0.54 -1.23 0.00 0.00 174.94 173.49 2j6i s ASN 240 N 3.38 4.38 0.37 3.58 2.20 -1.25 -0.92 114.94 126.68 2j6i s ASN 240 Ca 0.41 -1.43 0.07 0.00 -0.94 0.00 0.00 52.86 50.97 2j6i s ASN 240 Cb -0.02 0.41 0.77 0.00 -2.00 0.00 0.00 41.25 40.41 2j6i s ASN 240 CO -0.02 -0.95 1.95 0.07 -2.94 0.00 0.00 177.10 175.20 2j6i h LYS 241 N 1.07 0.71 0.15 3.55 2.10 -1.91 0.48 116.57 122.72 2j6i h LYS 241 Ca -0.40 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 2j6i h LYS 241 Cb 1.31 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2j6i h LYS 241 CO 0.66 0.47 -0.07 0.93 -2.00 0.00 0.00 179.45 179.43 2j6i h GLU 242 N 0.73 -0.20 -0.54 0.07 3.07 -1.96 -1.83 114.58 113.91 2j6i h GLU 242 Ca 0.32 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 2j6i h GLU 242 Cb 0.32 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2j6i h GLU 242 CO -0.11 0.04 0.23 1.25 -1.40 0.00 0.00 179.01 179.03 2j6i h LEU 243 N -0.43 0.73 -1.59 1.33 5.85 -1.75 -2.66 115.31 116.80 2j6i h LEU 243 Ca -0.02 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2j6i h LEU 243 Cb 0.33 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2j6i h LEU 243 CO 0.03 0.68 0.39 -0.07 -0.34 0.00 0.00 178.44 179.14 2j6i h LEU 244 N 0.73 0.43 -0.27 2.25 3.38 -0.88 0.11 115.31 121.06 2j6i h LEU 244 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2j6i h LEU 244 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2j6i h LEU 244 CO -0.02 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 2j6i n SER 245 N -4.47 0.24 -0.24 -0.43 3.41 -0.69 -1.08 113.62 110.36 2j6i n SER 245 Ca 0.09 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 2j6i n SER 245 Cb 0.30 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2j6i n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2j6i n LYS 246 N -1.77 0.61 -1.57 4.33 5.02 0.02 -4.94 118.16 119.85 2j6i n LYS 246 Ca 0.03 -0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 55.49 2j6i n LYS 246 Cb 0.18 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 2j6i n LYS 246 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2j6i s PHE 247 N -2.72 2.16 0.34 2.13 0.40 -0.24 -3.40 117.98 116.65 2j6i s PHE 247 Ca 0.15 1.57 -0.29 0.00 -0.60 0.00 0.00 56.93 57.76 2j6i s PHE 247 Cb 0.17 -3.46 -0.11 0.00 0.51 0.00 0.00 43.02 40.13 2j6i s PHE 247 CO 0.69 -2.48 1.51 0.21 0.70 0.00 0.00 175.22 175.84 2j6i s LYS 248 N -3.81 4.13 0.20 0.44 2.20 -1.21 -4.90 119.74 116.80 2j6i s LYS 248 Ca 0.75 2.54 -0.31 0.00 -0.36 0.00 0.00 55.97 58.58 2j6i s LYS 248 Cb -0.29 -3.00 -0.11 0.00 -1.51 0.00 0.00 37.83 32.92 2j6i s LYS 248 CO 0.43 -0.54 1.61 0.15 -0.36 0.00 0.00 175.35 176.64 2j6i s LYS 249 N -1.49 4.18 0.00 4.03 -0.14 -1.26 -2.11 119.74 122.95 2j6i s LYS 249 Ca 0.56 2.46 0.00 0.00 -1.36 0.00 0.00 55.97 57.63 2j6i s LYS 249 Cb -0.46 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 2j6i s LYS 249 CO 0.57 -0.65 0.00 0.41 -0.76 0.00 0.00 175.35 174.92 2j6i n GLY 250 N 3.56 0.48 3.76 -3.33 0.00 -0.48 -4.97 105.19 104.21 2j6i n GLY 250 Ca 0.13 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 2j6i n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6i s ALA 251 N -2.00 2.26 -0.13 4.61 0.00 -0.90 -3.70 121.76 121.90 2j6i s ALA 251 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2j6i s ALA 251 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2j6i s ALA 251 CO 0.00 -1.67 0.05 -1.58 0.00 0.00 0.00 175.76 172.57 2j6i s TRP 252 N -2.58 3.29 -0.07 0.00 0.51 -0.39 0.14 118.94 119.83 2j6i s TRP 252 Ca 0.65 0.20 0.04 0.00 -2.12 0.00 0.00 56.10 54.87 2j6i s TRP 252 Cb -0.20 -1.93 0.00 0.00 -0.81 0.00 0.00 33.47 30.53 2j6i s TRP 252 CO 0.49 0.40 -0.19 -1.17 -0.51 0.00 0.00 176.95 175.98 2j6i s LEU 253 N -0.42 1.90 -0.05 2.99 2.96 -0.31 -1.00 118.68 124.76 2j6i s LEU 253 Ca 0.09 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2j6i s LEU 253 Cb -0.12 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.46 2j6i s LEU 253 CO 0.02 0.13 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.30 2j6i s VAL 254 N 0.30 1.54 -0.15 1.68 1.01 -0.24 -1.36 120.40 123.19 2j6i s VAL 254 Ca -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2j6i s VAL 254 Cb -0.15 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 34.96 2j6i s VAL 254 CO 0.05 0.44 0.08 0.21 0.00 0.00 0.00 175.10 175.88 2j6i s ASN 255 N 0.07 2.14 -0.08 3.32 2.47 0.11 -1.12 114.94 121.85 2j6i s ASN 255 Ca -0.05 -0.49 0.11 0.00 0.42 0.00 0.00 52.86 52.84 2j6i s ASN 255 Cb -0.12 -0.23 0.22 0.00 -1.45 0.00 0.00 41.25 39.66 2j6i s ASN 255 CO 0.03 -0.33 1.14 0.35 -3.72 0.00 0.00 177.10 174.57 2j6i n THR 256 N 5.28 1.53 0.00 -5.21 -2.24 -1.25 -3.09 114.28 109.30 2j6i n THR 256 Ca -0.06 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2j6i n THR 256 Cb 0.49 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2j6i n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j6i n ALA 257 N -0.80 0.00 -3.13 6.98 0.00 -1.25 -4.79 120.51 117.52 2j6i n ALA 257 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2j6i n ALA 257 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 2j6i n ALA 257 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j6i s ARG 258 N 0.00 -0.01 0.25 0.00 1.81 -1.26 -4.97 118.95 114.77 2j6i s ARG 258 Ca 0.00 0.05 -0.03 0.00 -1.72 0.00 0.00 55.73 54.03 2j6i s ARG 258 Cb 0.00 -0.08 0.44 0.00 -0.45 0.00 0.00 34.95 34.86 2j6i s ARG 258 CO 0.00 -0.05 1.81 0.78 -0.68 0.00 0.00 175.30 177.16 2j6i h GLY 259 N 6.48 1.36 1.84 -3.53 0.00 -1.77 -2.16 103.07 105.29 2j6i h GLY 259 Ca -0.30 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2j6i h GLY 259 CO 0.50 0.13 0.00 0.00 0.00 0.00 0.00 176.54 177.17 2j6i n ALA 260 N -2.38 1.55 0.25 3.60 0.00 -1.26 -1.68 120.51 120.60 2j6i n ALA 260 Ca 0.15 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2j6i n ALA 260 Cb 0.30 -1.17 0.64 0.00 0.00 0.00 0.00 19.45 19.22 2j6i n ALA 260 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2j6i h ILE 261 N 0.00 0.47 -2.74 0.00 2.04 -1.57 -0.57 117.51 115.14 2j6i h ILE 261 Ca 0.00 -0.75 -0.58 0.00 1.00 0.00 0.00 64.86 64.53 2j6i h ILE 261 Cb 0.15 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 2j6i h ILE 261 CO 0.00 0.14 -0.51 0.00 0.00 0.00 0.00 178.15 177.78 2j6i s VAL 263 N -1.65 5.04 0.18 0.00 1.01 -0.10 -4.63 120.40 120.25 2j6i s VAL 263 Ca 0.33 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 2j6i s VAL 263 Cb -0.11 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.36 2j6i s VAL 263 CO 0.27 -0.35 1.71 0.00 0.00 0.00 0.00 175.10 176.73 2j6i h ALA 264 N 8.64 0.50 0.00 5.51 0.00 -1.89 -1.17 119.26 130.86 2j6i h ALA 264 Ca -0.27 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2j6i h ALA 264 Cb 1.12 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2j6i h ALA 264 CO 0.79 -0.34 -0.48 0.93 0.00 0.00 0.00 179.25 180.15 2j6i h GLU 265 N 0.19 0.00 -0.45 0.00 4.39 -1.97 -2.41 114.58 114.33 2j6i h GLU 265 Ca 0.24 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 2j6i h GLU 265 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2j6i h GLU 265 CO -0.34 0.48 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.50 2j6i h ASP 266 N 0.00 0.84 -0.17 1.42 3.32 -1.60 -0.60 116.42 119.63 2j6i h ASP 266 Ca -0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 2j6i h ASP 266 Cb 0.92 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2j6i h ASP 266 CO 0.06 0.98 0.06 0.58 -1.72 0.00 0.00 179.24 179.20 2j6i h VAL 267 N 0.68 1.17 -0.48 -1.35 2.07 -1.23 -1.61 116.25 115.51 2j6i h VAL 267 Ca 0.12 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2j6i h VAL 267 Cb 0.59 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2j6i h VAL 267 CO 0.04 0.16 0.28 0.00 0.02 0.00 0.00 177.57 178.07 2j6i h ALA 268 N 0.89 0.61 -0.81 1.67 0.00 -1.37 -1.04 119.26 119.21 2j6i h ALA 268 Ca 0.06 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2j6i h ALA 268 Cb 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2j6i h ALA 268 CO -0.00 -0.03 0.48 0.00 0.00 0.00 0.00 179.25 179.70 2j6i h ALA 269 N 1.22 1.12 -0.39 0.00 0.00 -1.00 -1.14 119.26 119.07 2j6i h ALA 269 Ca 0.19 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2j6i h ALA 269 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2j6i h ALA 269 CO -0.09 0.18 -0.20 0.00 0.00 0.00 0.00 179.25 179.14 2j6i h ALA 270 N 1.41 0.91 -0.08 0.00 0.00 -0.42 -1.56 119.26 119.52 2j6i h ALA 270 Ca 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2j6i h ALA 270 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2j6i h ALA 270 CO -0.20 0.62 0.01 1.25 0.00 0.00 0.00 179.25 180.93 2j6i h LEU 271 N 0.67 0.13 -1.43 0.00 5.85 -0.92 0.15 115.31 119.76 2j6i h LEU 271 Ca 0.10 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2j6i h LEU 271 Cb 0.70 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2j6i h LEU 271 CO 0.05 0.38 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.16 2j6i h GLU 272 N -0.12 0.33 0.00 1.25 4.39 -1.07 -2.75 114.58 116.60 2j6i h GLU 272 Ca 0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2j6i h GLU 272 Cb 0.30 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2j6i h GLU 272 CO 0.00 0.39 -0.32 -1.13 -1.16 0.00 0.00 179.01 176.78 2j6i n SER 273 N -4.32 0.60 0.00 1.42 3.41 -0.60 -4.43 113.62 109.70 2j6i n SER 273 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2j6i n SER 273 Cb 0.22 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2j6i n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j6i n GLY 274 N 1.38 0.80 0.37 5.00 0.00 -0.94 -4.93 105.19 106.88 2j6i n GLY 274 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 2j6i n GLY 274 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2j6i h GLN 275 N 3.87 1.24 -6.06 1.61 5.75 -1.07 -2.70 115.11 117.75 2j6i h GLN 275 Ca 0.00 -0.07 -0.68 0.00 -0.15 0.00 0.00 58.65 57.75 2j6i h GLN 275 Cb 0.00 -0.28 -0.15 0.00 1.07 0.00 0.00 27.48 28.12 2j6i h GLN 275 CO 0.00 0.82 -0.64 -0.51 -2.65 0.00 0.00 178.83 175.85 2j6i s LEU 276 N -10.11 3.50 0.10 -2.39 1.43 -0.03 -1.38 118.68 109.79 2j6i s LEU 276 Ca -0.13 0.07 0.12 0.00 -1.03 0.00 0.00 54.13 53.16 2j6i s LEU 276 Cb 0.19 -1.87 -0.14 0.00 0.03 0.00 0.00 46.19 44.39 2j6i s LEU 276 CO 0.81 0.34 1.07 -0.09 0.23 0.00 0.00 176.35 178.71 2j6i h ARG 277 N 4.89 0.00 -2.18 1.70 2.43 -0.38 -3.39 114.38 117.45 2j6i h ARG 277 Ca -0.50 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 2j6i h ARG 277 Cb 1.18 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.56 2j6i h ARG 277 CO 0.55 0.63 0.19 0.20 -1.51 0.00 0.00 179.97 180.03 2j6i s GLY 278 N -4.78 -0.58 -0.01 2.80 0.00 -1.20 -4.24 107.32 99.32 2j6i s GLY 278 Ca -0.01 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.88 2j6i s GLY 278 CO 0.80 0.81 -0.01 -0.47 0.00 0.00 0.00 173.10 174.23 2j6i s TYR 279 N -1.64 0.17 0.31 1.90 5.04 0.15 -1.16 117.35 122.11 2j6i s TYR 279 Ca -0.09 -0.01 -0.13 0.00 -2.44 0.00 0.00 57.07 54.39 2j6i s TYR 279 Cb -0.00 -0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.18 2j6i s TYR 279 CO 0.06 -0.02 0.61 0.20 -1.34 0.00 0.00 175.55 175.05 2j6i s GLY 280 N 0.17 0.55 0.00 8.97 0.00 -0.46 -1.21 107.32 115.34 2j6i s GLY 280 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2j6i s GLY 280 CO -0.00 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.20 2j6i n GLY 281 N -0.47 0.99 0.00 0.20 0.00 -1.22 -0.71 105.19 103.98 2j6i n GLY 281 Ca -0.03 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2j6i n GLY 281 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2j6i n ASP 282 N 2.73 0.99 -4.64 1.61 5.75 -1.18 -1.65 116.55 120.16 2j6i n ASP 282 Ca 0.00 -1.46 -0.33 0.00 -0.01 0.00 0.00 54.79 52.98 2j6i n ASP 282 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2j6i n ASP 282 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2j6i s VAL 283 N -0.46 3.97 0.07 2.12 -7.23 -1.25 -2.39 120.40 115.22 2j6i s VAL 283 Ca 0.00 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2j6i s VAL 283 Cb 0.00 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2j6i s VAL 283 CO 0.00 0.48 -0.05 0.26 -0.31 0.00 0.00 175.10 175.48 2j6i s TRP 284 N -0.96 0.70 -0.15 2.82 0.52 -1.26 -4.42 118.94 116.19 2j6i s TRP 284 Ca 0.16 -0.87 -0.04 0.00 0.02 0.00 0.00 56.10 55.36 2j6i s TRP 284 Cb -0.11 -0.44 0.07 0.00 -1.15 0.00 0.00 33.47 31.85 2j6i s TRP 284 CO 0.06 -0.21 0.25 0.12 0.02 0.00 0.00 176.95 177.19 2j6i s PHE 285 N -3.23 -0.40 0.79 -1.98 5.36 -1.26 -3.90 117.98 113.36 2j6i s PHE 285 Ca 0.05 0.79 -0.11 0.00 -0.96 0.00 0.00 56.93 56.70 2j6i s PHE 285 Cb 0.03 -0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.66 2j6i s PHE 285 CO -0.05 -0.42 1.11 -2.14 -1.46 0.00 0.00 175.22 172.25 2j6i s PRO 286 N 2.40 2.06 -0.05 10.12 0.02 -1.26 -4.91 135.00 143.38 2j6i s PRO 286 Ca 0.03 1.29 0.02 0.00 0.02 0.00 0.00 61.00 62.36 2j6i s PRO 286 Cb -0.13 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.54 2j6i s PRO 286 CO -0.09 -1.81 -0.09 -1.14 -0.33 0.00 0.00 177.00 173.54 2j6i s GLN 287 N -4.74 1.24 0.58 5.54 0.74 -1.25 -3.27 119.66 118.50 2j6i s GLN 287 Ca 0.63 -0.28 -0.19 0.00 0.05 0.00 0.00 55.36 55.57 2j6i s GLN 287 Cb -0.19 -1.10 -0.05 0.00 1.10 0.00 0.00 33.01 32.76 2j6i s GLN 287 CO 0.55 0.00 0.97 -2.30 -0.55 0.00 0.00 175.29 173.96 2j6i n PRO 288 N 3.80 0.96 -2.10 1.67 -0.02 -1.26 -5.09 135.00 132.96 2j6i n PRO 288 Ca -0.23 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2j6i n PRO 288 Cb 0.52 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 2j6i n PRO 288 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j6i s ALA 289 N -1.49 3.64 0.73 3.55 0.00 -1.20 -4.99 121.76 121.99 2j6i s ALA 289 Ca 0.74 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 53.71 2j6i s ALA 289 Cb -0.43 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.11 2j6i s ALA 289 CO 0.48 -0.71 0.84 -0.35 0.00 0.00 0.00 175.76 176.02 2j6i n PRO 290 N 4.17 0.41 0.14 0.00 -0.04 -1.26 -4.90 135.00 133.53 2j6i n PRO 290 Ca 0.12 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 2j6i n PRO 290 Cb 0.41 -2.10 0.57 0.00 -0.04 0.00 0.00 33.50 32.33 2j6i n PRO 290 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2j6i h LYS 291 N -0.34 0.20 -0.52 0.54 1.57 -2.01 -1.26 116.57 114.75 2j6i h LYS 291 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2j6i h LYS 291 Cb 1.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2j6i h LYS 291 CO 0.45 0.13 0.00 -0.40 -0.57 0.00 0.00 179.45 179.06 2j6i n ASP 292 N -4.50 5.39 -4.63 0.86 5.75 -1.26 -4.96 116.55 113.19 2j6i n ASP 292 Ca 0.01 -2.94 -0.50 0.00 -0.01 0.00 0.00 54.79 51.35 2j6i n ASP 292 Cb 0.13 -0.66 -0.05 0.00 -1.03 0.00 0.00 41.12 39.51 2j6i n ASP 292 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2j6i n HIS 293 N 0.42 1.88 0.30 2.11 -0.00 -0.48 -4.83 115.22 114.62 2j6i n HIS 293 Ca 0.27 0.45 0.15 0.00 0.46 0.00 0.00 57.72 59.05 2j6i n HIS 293 Cb 1.14 -2.44 0.91 0.00 -0.12 0.00 0.00 29.99 29.48 2j6i n HIS 293 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2j6i h PRO 294 N 5.44 0.00 0.00 1.57 0.13 -1.93 -1.37 132.00 135.84 2j6i h PRO 294 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2j6i h PRO 294 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2j6i h PRO 294 CO 0.84 0.02 0.00 0.91 -0.23 0.00 0.00 178.00 179.54 2j6i n TRP 295 N -3.75 0.76 -0.03 1.56 7.02 -1.26 -2.01 117.44 119.73 2j6i n TRP 295 Ca -0.03 0.29 -0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2j6i n TRP 295 Cb 0.11 -0.97 -0.09 0.00 -2.42 0.00 0.00 31.31 27.94 2j6i n TRP 295 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2j6i h ARG 296 N 0.00 0.14 0.00 -0.99 3.08 -1.60 -3.37 114.38 111.64 2j6i h ARG 296 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2j6i h ARG 296 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2j6i h ARG 296 CO 0.00 0.57 -1.07 -0.25 -1.07 0.00 0.00 179.97 178.15 2j6i n ASP 297 N -4.75 0.83 -4.77 7.04 8.00 -1.20 -4.98 116.55 116.73 2j6i n ASP 297 Ca -0.07 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 2j6i n ASP 297 Cb 0.29 1.04 -0.01 0.00 -0.02 0.00 0.00 41.12 42.42 2j6i n ASP 297 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j6i s MET 298 N -3.07 4.16 0.06 -1.24 0.23 -0.85 -5.01 119.30 113.58 2j6i s MET 298 Ca 0.06 2.38 -0.06 0.00 -1.03 0.00 0.00 55.69 57.05 2j6i s MET 298 Cb 0.16 -2.96 -0.02 0.00 -1.53 0.00 0.00 34.83 30.48 2j6i s MET 298 CO 0.86 -0.42 0.10 1.03 -2.03 0.00 0.00 175.02 174.56 2j6i s ARG 299 N -2.02 0.70 1.08 3.16 1.81 -1.26 -4.68 118.95 117.73 2j6i s ARG 299 Ca 0.52 -0.97 -0.18 0.00 -1.72 0.00 0.00 55.73 53.39 2j6i s ARG 299 Cb -0.43 0.27 0.25 0.00 -0.45 0.00 0.00 34.95 34.59 2j6i s ARG 299 CO 0.57 -0.19 1.23 0.54 -0.68 0.00 0.00 175.30 176.78 2j6i s ASN 300 N -2.65 2.00 0.57 0.23 2.20 0.58 -3.69 114.94 114.18 2j6i s ASN 300 Ca 0.02 0.39 0.38 0.00 -0.94 0.00 0.00 52.86 52.71 2j6i s ASN 300 Cb 0.04 -0.49 2.03 0.00 -2.00 0.00 0.00 41.25 40.83 2j6i s ASN 300 CO -0.09 -3.43 2.16 0.07 -2.94 0.00 0.00 177.10 172.87 2j6i h LYS 301 N -2.12 0.00 -0.13 3.55 -0.00 -1.77 -1.05 116.57 115.05 2j6i h LYS 301 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 2j6i h LYS 301 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 2j6i h LYS 301 CO 0.34 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 180.45 2j6i n TYR 302 N -2.85 0.15 -0.78 0.07 4.01 -1.26 -4.92 117.16 111.57 2j6i n TYR 302 Ca -0.02 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2j6i n TYR 302 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2j6i n TYR 302 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2j6i n GLY 303 N 1.26 0.57 0.00 2.72 0.00 -0.40 -5.01 105.19 104.33 2j6i n GLY 303 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2j6i n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6i n ALA 304 N 0.33 0.00 -1.26 4.61 0.00 -1.26 -4.83 120.51 118.10 2j6i n ALA 304 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2j6i n ALA 304 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2j6i n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j6i n GLY 305 N 2.86 1.08 2.99 0.00 0.00 -1.26 -0.31 105.19 110.55 2j6i n GLY 305 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2j6i n GLY 305 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j6i s ASN 306 N -2.89 3.46 -0.29 1.61 3.84 -1.26 -0.67 114.94 118.74 2j6i s ASN 306 Ca 0.00 -0.93 0.10 0.00 0.21 0.00 0.00 52.86 52.25 2j6i s ASN 306 Cb 0.00 -1.23 0.47 0.00 -0.55 0.00 0.00 41.25 39.94 2j6i s ASN 306 CO 0.00 -0.16 1.17 0.00 -2.79 0.00 0.00 177.10 175.32 2j6i n ALA 307 N 4.68 4.53 -1.77 1.71 0.00 -0.35 -4.93 120.51 124.37 2j6i n ALA 307 Ca -0.14 -3.60 -0.38 0.00 0.00 0.00 0.00 53.44 49.32 2j6i n ALA 307 Cb 0.46 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2j6i n ALA 307 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2j6i s MET 308 N -3.64 3.83 0.23 0.00 -1.94 -1.26 -3.42 119.30 113.11 2j6i s MET 308 Ca 0.46 1.82 0.02 0.00 -1.71 0.00 0.00 55.69 56.29 2j6i s MET 308 Cb 0.39 -2.49 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 2j6i s MET 308 CO 0.02 -0.50 0.03 0.95 -0.01 0.00 0.00 175.02 175.50 2j6i s THR 309 N -1.49 0.81 1.08 2.05 -4.23 -0.66 -4.94 115.64 108.26 2j6i s THR 309 Ca 0.62 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 2j6i s THR 309 Cb -0.30 -2.39 0.23 0.00 1.34 0.00 0.00 72.50 71.38 2j6i s THR 309 CO 0.37 -0.26 1.09 -2.84 -0.54 0.00 0.00 174.62 172.44 2j6i s PRO 310 N -3.93 -0.24 -1.12 3.99 0.02 -1.26 -4.36 135.00 128.10 2j6i s PRO 310 Ca 0.30 0.37 -0.21 0.00 0.02 0.00 0.00 61.00 61.48 2j6i s PRO 310 Cb 0.07 -1.67 0.02 0.00 0.02 0.00 0.00 34.50 32.93 2j6i s PRO 310 CO 0.09 -3.15 1.71 -1.58 -0.33 0.00 0.00 177.00 173.75 2j6i s HIS 311 N -2.92 2.40 0.00 6.54 2.46 -1.01 -4.53 115.29 118.23 2j6i s HIS 311 Ca 0.67 -0.64 0.00 0.00 0.47 0.00 0.00 55.06 55.56 2j6i s HIS 311 Cb -0.17 -4.49 0.00 0.00 -0.13 0.00 0.00 32.58 27.79 2j6i s HIS 311 CO 0.58 -1.74 0.09 2.48 -2.47 0.00 0.00 174.74 173.68 2j6i n TYR 312 N 10.50 0.00 -0.33 3.88 0.18 -1.26 -4.86 117.16 125.27 2j6i n TYR 312 Ca 0.42 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.31 2j6i n TYR 312 Cb 0.48 0.00 0.32 0.00 -0.38 0.00 0.00 39.34 39.76 2j6i n TYR 312 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2j6i h SER 313 N 0.00 0.78 -0.26 9.48 4.64 -1.92 0.33 113.55 126.61 2j6i h SER 313 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2j6i h SER 313 Cb 0.25 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2j6i h SER 313 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 2j6i n GLY 314 N -1.38 0.22 0.89 -0.77 0.00 -1.26 -3.89 105.19 99.00 2j6i n GLY 314 Ca 0.20 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2j6i n GLY 314 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j6i n THR 315 N 0.26 0.78 -0.86 2.61 -2.24 0.12 -4.66 114.28 110.29 2j6i n THR 315 Ca 0.09 -0.89 -0.32 0.00 -2.27 0.00 0.00 64.05 60.66 2j6i n THR 315 Cb 0.22 0.68 0.15 0.00 -2.10 0.00 0.00 70.33 69.28 2j6i n THR 315 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2j6i n THR 316 N 0.99 0.81 -0.01 4.28 -2.24 -1.24 -4.70 114.28 112.18 2j6i n THR 316 Ca 0.16 -0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 2j6i n THR 316 Cb 0.49 -1.02 0.35 0.00 -2.10 0.00 0.00 70.33 68.05 2j6i n THR 316 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2j6i h LEU 317 N -1.45 0.49 -0.13 3.22 3.38 -1.95 -0.73 115.31 118.14 2j6i h LEU 317 Ca -0.44 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2j6i h LEU 317 Cb 1.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2j6i h LEU 317 CO 0.42 0.46 0.09 0.44 0.09 0.00 0.00 178.44 179.94 2j6i h ASP 318 N 0.54 0.15 -0.60 -0.43 3.32 -1.93 -1.55 116.42 115.93 2j6i h ASP 318 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2j6i h ASP 318 Cb 0.13 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2j6i h ASP 318 CO -0.01 0.12 0.35 0.00 -1.72 0.00 0.00 179.24 177.98 2j6i h ALA 319 N 1.04 0.77 -0.94 3.45 0.00 -1.68 -2.58 119.26 119.31 2j6i h ALA 319 Ca 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2j6i h ALA 319 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 2j6i h ALA 319 CO -0.01 0.27 0.62 1.96 0.00 0.00 0.00 179.25 182.08 2j6i h GLN 320 N 0.81 1.21 -0.26 0.00 4.20 -0.98 0.18 115.11 120.28 2j6i h GLN 320 Ca 0.21 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.89 2j6i h GLN 320 Cb 0.01 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 2j6i h GLN 320 CO -0.04 0.80 0.04 1.15 -0.67 0.00 0.00 178.83 180.12 2j6i h THR 321 N 1.24 0.87 -0.88 -0.54 2.02 -1.05 -0.22 112.91 114.35 2j6i h THR 321 Ca 0.35 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.52 2j6i h THR 321 Cb -0.10 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2j6i h THR 321 CO -0.09 0.03 0.57 0.03 0.37 0.00 0.00 175.52 176.42 2j6i h ARG 322 N 0.14 1.07 -0.55 6.66 3.08 -0.87 -0.83 114.38 123.08 2j6i h ARG 322 Ca 0.12 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2j6i h ARG 322 Cb 0.13 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2j6i h ARG 322 CO -0.16 0.71 0.30 1.88 -1.07 0.00 0.00 179.97 181.62 2j6i h TYR 323 N 1.10 0.76 -0.08 3.04 0.99 -0.24 0.91 116.97 123.45 2j6i h TYR 323 Ca 0.35 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 61.05 2j6i h TYR 323 Cb 0.02 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 37.50 2j6i h TYR 323 CO -0.02 0.56 -0.02 0.00 -0.00 0.00 0.00 178.16 178.68 2j6i h ALA 324 N 1.13 0.11 -0.37 3.88 0.00 -0.67 -0.41 119.26 122.94 2j6i h ALA 324 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2j6i h ALA 324 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2j6i h ALA 324 CO -0.03 -0.17 0.24 1.96 0.00 0.00 0.00 179.25 181.25 2j6i h GLN 325 N -0.17 0.49 -0.11 0.00 4.20 -1.13 -1.16 115.11 117.23 2j6i h GLN 325 Ca 0.02 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 2j6i h GLN 325 Cb 0.41 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2j6i h GLN 325 CO 0.01 0.33 -0.23 0.78 -0.67 0.00 0.00 178.83 179.04 2j6i h GLY 326 N 0.50 0.20 1.07 3.46 0.00 -0.75 -0.50 103.07 107.06 2j6i h GLY 326 Ca 0.14 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2j6i h GLY 326 CO -0.03 0.13 -0.27 -0.84 0.00 0.00 0.00 176.54 175.53 2j6i h THR 327 N 0.17 1.28 -0.37 4.70 2.02 -0.75 -1.42 112.91 118.55 2j6i h THR 327 Ca 0.03 -1.43 0.03 0.00 0.77 0.00 0.00 66.41 65.81 2j6i h THR 327 Cb 0.52 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2j6i h THR 327 CO 0.04 0.48 0.16 0.58 0.37 0.00 0.00 175.52 177.15 2j6i h VAL 328 N 0.71 0.95 -0.35 3.16 2.07 -0.56 -0.67 116.25 121.56 2j6i h VAL 328 Ca 0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2j6i h VAL 328 Cb 0.85 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2j6i h VAL 328 CO 0.07 0.06 0.23 0.78 0.02 0.00 0.00 177.57 178.74 2j6i h ASN 329 N 0.34 0.40 0.10 0.57 2.35 -0.89 -0.63 115.58 117.83 2j6i h ASN 329 Ca 0.16 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2j6i h ASN 329 Cb 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2j6i h ASN 329 CO -0.13 0.29 -0.05 0.40 -1.65 0.00 0.00 177.43 176.29 2j6i h ILE 330 N 0.47 0.90 -0.81 2.81 2.04 -1.14 -2.21 117.51 119.56 2j6i h ILE 330 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2j6i h ILE 330 Cb -0.05 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2j6i h ILE 330 CO -0.03 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.58 2j6i h LEU 331 N -0.14 0.89 -0.58 1.44 3.38 -0.72 -1.69 115.31 117.89 2j6i h LEU 331 Ca -0.01 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2j6i h LEU 331 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2j6i h LEU 331 CO 0.02 0.62 -0.61 -0.08 0.09 0.00 0.00 178.44 178.48 2j6i h GLU 332 N 1.05 0.33 -0.97 1.13 4.57 -1.07 0.42 114.58 120.03 2j6i h GLU 332 Ca 0.32 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2j6i h GLU 332 Cb -0.04 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 2j6i h GLU 332 CO -0.10 0.84 0.64 0.77 -1.18 0.00 0.00 179.01 179.98 2j6i h SER 333 N 0.24 1.12 0.00 1.04 0.02 -0.97 -2.08 113.55 112.93 2j6i h SER 333 Ca -0.01 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2j6i h SER 333 Cb 1.14 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2j6i h SER 333 CO 0.10 0.82 -0.00 0.15 -1.14 0.00 0.00 176.83 176.76 2j6i h PHE 334 N 1.32 -0.00 -0.75 3.45 3.57 -0.59 0.21 116.94 124.14 2j6i h PHE 334 Ca 0.36 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.88 2j6i h PHE 334 Cb -0.14 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 2j6i h PHE 334 CO 0.00 0.57 0.48 0.74 -2.23 0.00 0.00 178.31 177.87 2j6i h PHE 335 N -0.58 0.91 0.00 0.41 0.05 -0.14 -1.79 116.94 115.80 2j6i h PHE 335 Ca -0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 2j6i h PHE 335 Cb 0.58 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.22 2j6i h PHE 335 CO 0.13 0.54 0.00 0.25 -0.18 0.00 0.00 178.31 179.05 2j6i n THR 336 N -4.60 0.78 -1.42 -1.55 -2.24 -0.79 -4.88 114.28 99.59 2j6i n THR 336 Ca 0.08 0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.91 2j6i n THR 336 Cb 0.06 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 2j6i n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j6i n GLY 337 N 0.32 1.42 0.07 3.38 0.00 -0.67 -4.87 105.19 104.83 2j6i n GLY 337 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2j6i n GLY 337 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j6i h LYS 338 N 0.03 0.00 -5.81 1.61 1.57 -1.78 -3.48 116.57 108.72 2j6i h LYS 338 Ca -0.29 -0.01 -0.43 0.00 -1.87 0.00 0.00 60.65 58.05 2j6i h LYS 338 Cb 1.10 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 2j6i h LYS 338 CO 0.43 0.83 -0.66 1.19 -0.57 0.00 0.00 179.45 180.67 2j6i n PHE 339 N -3.25 -1.93 -1.38 -1.35 3.01 0.71 -4.83 117.46 108.45 2j6i n PHE 339 Ca -0.06 0.64 -0.26 0.00 1.01 0.00 0.00 57.45 58.78 2j6i n PHE 339 Cb 0.98 -3.32 -0.08 0.00 -0.01 0.00 0.00 39.48 37.05 2j6i n PHE 339 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2j6i n ASP 340 N -2.50 6.66 -4.76 4.37 5.75 -1.26 -4.95 116.55 119.85 2j6i n ASP 340 Ca 0.01 -2.85 -0.37 0.00 -0.01 0.00 0.00 54.79 51.57 2j6i n ASP 340 Cb 0.53 -1.37 0.02 0.00 -1.03 0.00 0.00 41.12 39.27 2j6i n ASP 340 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2j6i s TYR 341 N -0.12 2.56 0.13 2.11 4.12 -1.26 -4.95 117.35 119.95 2j6i s TYR 341 Ca 0.63 1.50 -0.31 0.00 0.02 0.00 0.00 57.07 58.90 2j6i s TYR 341 Cb 0.30 -3.49 -0.10 0.00 -1.52 0.00 0.00 41.96 37.15 2j6i s TYR 341 CO -0.10 -2.04 1.75 1.03 0.02 0.00 0.00 175.55 176.21 2j6i s ARG 342 N -3.04 4.16 0.44 -0.62 0.52 -1.26 -4.87 118.95 114.28 2j6i s ARG 342 Ca 0.71 2.51 0.18 0.00 -0.52 0.00 0.00 55.73 58.62 2j6i s ARG 342 Cb -0.31 -3.48 1.12 0.00 0.52 0.00 0.00 34.95 32.80 2j6i s ARG 342 CO 0.36 -0.78 1.90 -1.35 0.02 0.00 0.00 175.30 175.45 2j6i h PRO 343 N 8.12 0.34 0.00 3.54 0.11 -1.99 0.56 132.00 142.68 2j6i h PRO 343 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2j6i h PRO 343 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2j6i h PRO 343 CO 0.94 0.23 0.00 -0.56 -0.21 0.00 0.00 178.00 178.40 2j6i h GLN 344 N 0.35 0.00 0.00 1.05 -0.00 -1.97 -3.02 115.11 111.52 2j6i h GLN 344 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 2j6i h GLN 344 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.50 2j6i h GLN 344 CO -0.12 0.00 -0.10 -0.44 -0.00 0.00 0.00 178.83 178.17 2j6i h ASP 345 N 0.00 0.00 -3.15 0.06 3.32 -1.09 -3.41 116.42 112.16 2j6i h ASP 345 Ca 0.00 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2j6i h ASP 345 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2j6i h ASP 345 CO 0.00 0.00 0.66 -0.63 -1.72 0.00 0.00 179.24 177.55 2j6i s ILE 346 N -3.19 4.47 -0.26 0.35 1.01 -1.14 -1.45 121.20 120.98 2j6i s ILE 346 Ca 0.07 1.77 -0.15 0.00 0.00 0.00 0.00 60.65 62.35 2j6i s ILE 346 Cb 0.08 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 2j6i s ILE 346 CO 0.66 -0.01 -0.36 -0.38 0.00 0.00 0.00 174.94 174.86 2j6i n ILE 347 N 4.64 1.52 -4.66 2.92 5.41 0.42 -4.95 119.36 124.66 2j6i n ILE 347 Ca 0.10 -0.31 -0.23 0.00 1.00 0.00 0.00 62.75 63.31 2j6i n ILE 347 Cb 0.47 -1.95 -0.15 0.00 -0.71 0.00 0.00 39.64 37.30 2j6i n ILE 347 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2j6i s LEU 348 N -7.56 1.95 -0.29 1.39 1.43 -0.72 -4.45 118.68 110.42 2j6i s LEU 348 Ca -0.37 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 2j6i s LEU 348 Cb 0.13 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.63 2j6i s LEU 348 CO 0.48 0.15 0.00 -0.22 0.23 0.00 0.00 176.35 176.99 2j6i s LEU 349 N -0.15 3.76 -1.51 1.79 2.96 0.63 -1.10 118.68 125.06 2j6i s LEU 349 Ca 0.02 -1.11 -0.05 0.00 -0.22 0.00 0.00 54.13 52.76 2j6i s LEU 349 Cb -0.08 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 44.93 2j6i s LEU 349 CO 0.00 -0.23 0.47 0.59 -1.32 0.00 0.00 176.35 175.86 2j6i n ASN 350 N 4.67 -1.00 0.00 3.68 5.03 -1.23 -1.76 115.26 124.65 2j6i n ASN 350 Ca -0.14 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.27 2j6i n ASN 350 Cb 0.45 -2.78 0.00 0.00 -1.02 0.00 0.00 39.78 36.42 2j6i n ASN 350 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j6i n GLY 351 N -1.89 1.94 3.83 7.41 0.00 0.71 -4.30 105.19 112.89 2j6i n GLY 351 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2j6i n GLY 351 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j6i s GLU 352 N -0.53 3.76 0.00 1.61 0.41 -0.72 -4.05 118.70 119.17 2j6i s GLU 352 Ca 0.00 0.04 0.05 0.00 -0.41 0.00 0.00 54.97 54.65 2j6i s GLU 352 Cb 0.00 -3.25 0.31 0.00 -1.78 0.00 0.00 34.13 29.40 2j6i s GLU 352 CO 0.00 0.63 0.78 0.66 -0.49 0.00 0.00 175.26 176.84