#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 3.92 -0.13 0.00 2.20 -1.26 -0.82 119.74 123.65 2j6i s LYS 2 Ca 0.00 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2j6i s LYS 2 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2j6i s LYS 2 CO 0.00 0.09 -0.17 0.42 -0.36 0.00 0.00 175.35 175.33 2j6i s ILE 3 N 0.91 2.64 -0.22 5.43 1.09 0.11 -0.47 121.20 130.69 2j6i s ILE 3 Ca 0.05 -0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 58.75 2j6i s ILE 3 Cb -0.14 -2.08 -0.02 0.00 -1.06 0.00 0.00 42.46 39.16 2j6i s ILE 3 CO 0.03 0.53 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.71 2j6i s VAL 4 N 0.46 3.81 -0.21 2.92 1.01 0.26 -0.28 120.40 128.37 2j6i s VAL 4 Ca -0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2j6i s VAL 4 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2j6i s VAL 4 CO 0.05 0.40 -0.12 -0.22 0.00 0.00 0.00 175.10 175.21 2j6i s LEU 5 N 1.32 2.66 -0.29 3.92 2.96 0.22 -0.66 118.68 128.81 2j6i s LEU 5 Ca 0.04 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 2j6i s LEU 5 Cb -0.15 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 44.99 2j6i s LEU 5 CO 0.00 -0.05 0.02 -0.69 -1.32 0.00 0.00 176.35 174.31 2j6i s VAL 6 N 1.32 3.38 0.21 1.68 1.01 -0.57 -0.81 120.40 126.62 2j6i s VAL 6 Ca 0.03 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 2j6i s VAL 6 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2j6i s VAL 6 CO -0.08 0.04 0.11 -0.76 0.00 0.00 0.00 175.10 174.42 2j6i s LEU 7 N 1.38 1.32 0.54 3.92 1.43 -0.71 -3.80 118.68 122.76 2j6i s LEU 7 Ca -0.00 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.56 2j6i s LEU 7 Cb -0.18 0.28 -0.06 0.00 0.03 0.00 0.00 46.19 46.26 2j6i s LEU 7 CO -0.01 -0.80 1.01 -0.72 0.23 0.00 0.00 176.35 176.06 2j6i s TYR 8 N -4.04 3.30 -0.33 0.29 -0.85 -1.26 -3.56 117.35 110.90 2j6i s TYR 8 Ca 0.38 1.48 -0.28 0.00 -0.52 0.00 0.00 57.07 58.13 2j6i s TYR 8 Cb 0.07 -2.86 0.02 0.00 0.38 0.00 0.00 41.96 39.57 2j6i s TYR 8 CO 0.12 -0.62 1.02 -0.51 -1.52 0.00 0.00 175.55 174.03 2j6i s ASP 9 N -3.00 6.85 0.22 -0.18 1.01 -1.26 -0.83 116.67 119.48 2j6i s ASP 9 Ca 0.60 0.91 0.25 0.00 0.71 0.00 0.00 52.55 55.02 2j6i s ASP 9 Cb -0.12 -2.51 0.87 0.00 1.01 0.00 0.00 42.92 42.17 2j6i s ASP 9 CO 0.34 -0.86 1.76 0.00 0.21 0.00 0.00 175.17 176.62 2j6i n ALA 10 N 6.80 2.09 -0.80 5.23 0.00 -1.26 -4.96 120.51 127.61 2j6i n ALA 10 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2j6i n ALA 10 Cb 0.47 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.90 3.33 0.39 0.00 0.00 -1.26 -1.18 105.19 107.37 2j6i n GLY 11 Ca 0.05 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.13 2j6i n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j6i h LYS 12 N 0.00 0.40 0.00 1.61 3.11 -2.00 -1.88 116.57 117.80 2j6i h LYS 12 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2j6i h LYS 12 Cb 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 2j6i h LYS 12 CO 0.00 0.26 0.00 0.45 -2.81 0.00 0.00 179.45 177.35 2j6i h HIS 13 N 0.41 0.00 0.05 1.91 -0.00 -1.56 -0.39 115.15 115.58 2j6i h HIS 13 Ca 0.41 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.47 2j6i h HIS 13 Cb 1.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 2j6i h HIS 13 CO -0.00 0.00 -1.78 0.00 -0.00 0.00 0.00 177.93 176.15 2j6i h ALA 14 N 2.13 0.61 0.00 2.45 0.00 -1.42 -2.90 119.26 120.13 2j6i h ALA 14 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 54.91 53.47 2j6i h ALA 14 Cb 0.29 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2j6i h ALA 14 CO 0.00 1.45 -0.19 0.00 0.00 0.00 0.00 179.25 180.52 2j6i h ALA 15 N 0.65 1.44 -0.07 0.00 0.00 -1.39 -3.09 119.26 116.80 2j6i h ALA 15 Ca -0.32 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2j6i h ALA 15 Cb 2.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2j6i h ALA 15 CO 0.09 0.24 -0.66 -0.44 0.00 0.00 0.00 179.25 178.47 2j6i h ASP 16 N 0.00 0.34 -3.24 0.00 3.45 -1.07 -3.44 116.42 112.46 2j6i h ASP 16 Ca -0.00 -0.21 -0.31 0.00 0.43 0.00 0.00 57.03 56.94 2j6i h ASP 16 Cb 0.40 -0.10 -0.36 0.00 -0.56 0.00 0.00 39.33 38.71 2j6i h ASP 16 CO 0.02 0.91 -0.67 -1.61 -1.57 0.00 0.00 179.24 176.33 2j6i s GLU 17 N -3.67 0.00 0.07 3.56 0.41 -1.10 -5.03 118.70 112.94 2j6i s GLU 17 Ca -0.04 0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.83 2j6i s GLU 17 Cb 0.11 -0.32 -0.26 0.00 -1.78 0.00 0.00 34.13 31.88 2j6i s GLU 17 CO 0.81 -0.28 1.14 1.49 -0.49 0.00 0.00 175.26 177.93 2j6i h GLU 18 N 8.13 0.64 0.00 1.61 4.57 -1.86 -3.30 114.58 124.37 2j6i h GLU 18 Ca -0.20 -0.79 0.00 0.00 -1.18 0.00 0.00 59.36 57.19 2j6i h GLU 18 Cb 1.12 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 2j6i h GLU 18 CO 0.21 1.35 0.00 1.17 -1.18 0.00 0.00 179.01 180.57 2j6i n LYS 19 N -3.80 0.27 -2.04 1.92 4.81 -1.26 -3.89 118.16 114.16 2j6i n LYS 19 Ca -0.12 0.11 -0.41 0.00 -0.87 0.00 0.00 58.31 57.01 2j6i n LYS 19 Cb 0.95 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 2j6i n LYS 19 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2j6i n LEU 20 N -1.19 5.52 -0.11 3.14 7.94 -1.24 -4.66 117.00 126.40 2j6i n LEU 20 Ca 0.08 -3.85 -0.06 0.00 -1.11 0.00 0.00 56.01 51.06 2j6i n LEU 20 Cb 0.09 -1.65 0.13 0.00 0.53 0.00 0.00 43.42 42.52 2j6i n LEU 20 CO 0.09 0.34 0.82 1.88 -1.11 0.00 0.00 177.39 179.42 2j6i h TYR 21 N 7.11 0.87 0.00 1.96 -1.99 -1.89 -3.34 116.97 119.69 2j6i h TYR 21 Ca 0.48 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 61.04 2j6i h TYR 21 Cb 0.76 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 2j6i h TYR 21 CO 1.41 0.84 -0.03 0.41 -0.00 0.00 0.00 178.16 180.78 2j6i n GLY 22 N -0.50 2.38 3.27 3.88 0.00 -1.26 -0.65 105.19 112.31 2j6i n GLY 22 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 2.63 1.20 -0.78 0.00 1.35 -1.22 -0.38 112.91 115.71 2j6i h THR 24 Ca -0.37 -0.87 -0.05 0.00 -0.55 0.00 0.00 66.41 64.57 2j6i h THR 24 Cb 1.21 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 2j6i h THR 24 CO 0.63 0.29 0.29 -0.33 -0.25 0.00 0.00 175.52 176.15 2j6i h GLU 25 N 0.42 1.19 0.00 4.72 3.07 -1.93 -3.26 114.58 118.78 2j6i h GLU 25 Ca 0.09 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2j6i h GLU 25 Cb 0.40 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2j6i h GLU 25 CO 0.02 0.97 -1.28 0.09 -1.40 0.00 0.00 179.01 177.41 2j6i n ASN 26 N -4.27 0.57 -3.81 1.42 3.02 -0.99 -5.00 115.26 106.21 2j6i n ASN 26 Ca 0.07 -0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 53.95 2j6i n ASN 26 Cb 0.20 1.18 0.04 0.00 -0.61 0.00 0.00 39.78 40.59 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 -1.90 -5.94 -0.97 3.52 5.02 -0.19 -0.76 118.16 116.95 2j6i n LYS 27 Ca 0.01 0.65 -0.06 0.00 -2.02 0.00 0.00 58.31 56.89 2j6i n LYS 27 Cb 0.44 -5.53 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 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 -4.67 -0.21 -1.41 -0.35 4.77 0.17 -1.42 117.00 113.90 2j6i n LEU 28 Ca -0.03 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 2j6i n LEU 28 Cb 0.56 -1.69 -0.07 0.00 -2.33 0.00 0.00 43.42 39.89 2j6i n LEU 28 CO 0.72 -0.57 -0.17 0.61 -1.33 0.00 0.00 177.39 176.65 2j6i n GLY 29 N 0.13 1.58 0.67 -0.72 0.00 0.06 -4.83 105.19 102.09 2j6i n GLY 29 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.60 0.00 -0.04 -0.61 -5.35 -0.51 -4.70 119.36 105.54 2j6i n ILE 30 Ca -0.18 -0.46 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 2j6i n ILE 30 Cb 0.59 1.35 -0.02 0.00 -1.74 0.00 0.00 39.64 39.82 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 3.53 0.09 -0.01 -1.28 0.00 -1.88 0.18 119.26 119.90 2j6i h ALA 31 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2j6i h ALA 31 Cb 0.74 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.78 2j6i h ALA 31 CO 0.00 -0.51 -1.00 -0.91 0.00 0.00 0.00 179.25 176.83 2j6i h ASN 32 N -0.06 0.80 -0.41 0.00 -0.26 -1.96 -1.49 115.58 112.20 2j6i h ASN 32 Ca 0.12 -0.63 0.08 0.00 -0.56 0.00 0.00 56.30 55.30 2j6i h ASN 32 Cb 0.24 -0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 37.18 2j6i h ASN 32 CO -0.26 1.43 -0.03 -0.25 -1.06 0.00 0.00 177.43 177.26 2j6i h TRP 33 N 0.35 -0.08 -0.27 1.19 7.01 -1.79 0.33 115.95 122.69 2j6i h TRP 33 Ca -0.11 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.86 2j6i h TRP 33 Cb 1.65 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.80 2j6i h TRP 33 CO 0.09 -0.11 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.49 2j6i h LEU 34 N 0.07 0.53 -0.68 0.65 3.38 -0.57 -2.88 115.31 115.80 2j6i h LEU 34 Ca 0.20 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2j6i h LEU 34 Cb 0.29 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2j6i h LEU 34 CO -0.36 0.78 0.41 0.50 0.09 0.00 0.00 178.44 179.86 2j6i h LYS 35 N 0.28 0.93 -0.93 1.13 3.64 -1.00 -1.67 116.57 118.94 2j6i h LYS 35 Ca 0.07 -0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 2j6i h LYS 35 Cb 0.55 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 2j6i h LYS 35 CO 0.03 0.66 0.60 -0.44 -2.27 0.00 0.00 179.45 178.03 2j6i h ASP 36 N 0.93 0.64 -0.14 4.20 3.32 -0.28 -0.62 116.42 124.47 2j6i h ASP 36 Ca 0.24 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2j6i h ASP 36 Cb -0.03 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2j6i h ASP 36 CO -0.05 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 2j6i n GLN 37 N -4.60 1.65 -1.02 3.56 6.02 -0.87 -4.93 117.38 117.19 2j6i n GLN 37 Ca 0.20 -0.97 -0.01 0.00 -0.01 0.00 0.00 57.00 56.21 2j6i n GLN 37 Cb 0.55 -1.39 -0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 1.09 0.46 3.85 1.08 0.00 -0.24 -4.94 105.19 106.49 2j6i n GLY 38 Ca 0.16 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.89 3.46 -0.20 1.61 3.76 -0.68 -4.62 115.29 116.73 2j6i s HIS 39 Ca 0.00 1.44 -0.07 0.00 -0.15 0.00 0.00 55.06 56.27 2j6i s HIS 39 Cb 0.00 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.88 2j6i s HIS 39 CO 0.00 -0.37 0.06 -2.00 -0.85 0.00 0.00 174.74 171.58 2j6i s GLU 40 N -4.13 3.84 -0.21 1.40 2.12 -0.00 -4.22 118.70 117.50 2j6i s GLU 40 Ca 0.58 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.46 2j6i s GLU 40 Cb -0.10 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2j6i s GLU 40 CO 0.33 0.10 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.96 2j6i s LEU 41 N 0.83 3.07 -0.24 2.70 2.96 -1.26 0.09 118.68 126.83 2j6i s LEU 41 Ca 0.03 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2j6i s LEU 41 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2j6i s LEU 41 CO 0.02 0.02 0.06 -0.63 -1.32 0.00 0.00 176.35 174.50 2j6i s ILE 42 N 1.25 4.27 -0.15 6.68 1.09 0.61 -4.99 121.20 129.97 2j6i s ILE 42 Ca 0.03 -0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.39 2j6i s ILE 42 Cb -0.14 -2.98 -0.01 0.00 -1.06 0.00 0.00 42.46 38.26 2j6i s ILE 42 CO -0.00 0.36 -0.12 -0.89 -0.10 0.00 0.00 174.94 174.19 2j6i s THR 43 N 1.47 3.09 0.05 2.92 2.01 -1.26 0.69 115.64 124.60 2j6i s THR 43 Ca 0.06 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 2j6i s THR 43 Cb -0.15 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.07 2j6i s THR 43 CO 0.03 0.51 0.35 0.28 -0.69 0.00 0.00 174.62 175.10 2j6i s THR 44 N 0.57 0.07 -0.80 -0.82 -1.32 0.01 -4.97 115.64 108.38 2j6i s THR 44 Ca -0.07 -0.59 0.11 0.00 -1.21 0.00 0.00 61.69 59.93 2j6i s THR 44 Cb -0.15 -0.95 -0.06 0.00 -1.51 0.00 0.00 72.50 69.82 2j6i s THR 44 CO 0.03 -0.33 0.58 -1.54 -2.21 0.00 0.00 174.62 171.16 2j6i n SER 45 N 0.53 0.92 -4.55 8.08 3.41 -1.23 -1.74 113.62 119.04 2j6i n SER 45 Ca -0.18 -0.96 -0.41 0.00 -0.26 0.00 0.00 58.87 57.05 2j6i n SER 45 Cb 0.60 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 2j6i n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2j6i s ASP 46 N -1.78 6.46 0.00 4.04 2.15 -1.26 -4.71 116.67 121.57 2j6i s ASP 46 Ca 0.07 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.69 2j6i s ASP 46 Cb 0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2j6i s ASP 46 CO 0.38 -1.51 0.23 2.29 -0.17 0.00 0.00 175.17 176.38 2j6i n LYS 47 N 8.71 2.85 -4.80 4.34 2.85 -1.26 -2.00 118.16 128.85 2j6i n LYS 47 Ca 0.27 -0.23 -0.31 0.00 -1.05 0.00 0.00 58.31 56.99 2j6i n LYS 47 Cb 0.50 -0.71 -0.14 0.00 -0.65 0.00 0.00 35.03 34.03 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 -0.47 1.98 0.00 -1.58 0.41 -1.26 -4.78 118.70 112.99 2j6i s GLU 48 Ca 0.00 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 53.54 2j6i s GLU 48 Cb 0.00 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 2j6i s GLU 48 CO 0.00 0.53 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 2j6i n GLY 49 N 1.72 0.90 0.27 -1.39 0.00 -1.26 -4.34 105.19 101.09 2j6i n GLY 49 Ca -0.17 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.39 2j6i n GLY 49 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j6i h GLY 50 N 0.00 0.00 2.00 -0.02 0.00 -2.03 -2.37 103.07 100.66 2j6i h GLY 50 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2j6i h GLY 50 CO 0.00 0.00 -0.15 3.45 0.00 0.00 0.00 176.54 179.84 2j6i h ASN 51 N 0.00 0.00 -3.36 0.19 -1.07 -2.01 -3.45 115.58 105.88 2j6i h ASN 51 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.79 2j6i h ASN 51 Cb 0.38 0.00 0.16 0.00 -2.07 0.00 0.00 38.32 36.80 2j6i h ASN 51 CO 0.01 0.15 -0.02 -1.54 0.07 0.00 0.00 177.43 176.10 2j6i n SER 52 N -4.26 0.28 -0.36 6.14 3.41 -0.89 -4.63 113.62 113.30 2j6i n SER 52 Ca -0.02 0.80 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 2j6i n SER 52 Cb 0.22 -1.32 0.31 0.00 -0.26 0.00 0.00 64.21 63.16 2j6i n SER 52 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2j6i h VAL 53 N 0.49 0.74 0.17 -3.33 2.07 -1.91 -0.60 116.25 113.88 2j6i h VAL 53 Ca -0.47 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2j6i h VAL 53 Cb 1.37 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2j6i h VAL 53 CO 0.50 0.15 -0.31 0.25 0.02 0.00 0.00 177.57 178.18 2j6i h LEU 54 N 0.81 -0.88 -1.21 2.57 5.85 -1.74 -2.29 115.31 118.41 2j6i h LEU 54 Ca 0.57 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.40 2j6i h LEU 54 Cb 0.83 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2j6i h LEU 54 CO -0.36 -0.41 0.54 0.44 -0.34 0.00 0.00 178.44 178.30 2j6i h ASP 55 N -0.56 0.90 -0.10 1.25 3.32 -1.60 0.37 116.42 119.99 2j6i h ASP 55 Ca 0.02 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2j6i h ASP 55 Cb 0.57 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2j6i h ASP 55 CO -0.15 0.64 0.06 1.56 -1.72 0.00 0.00 179.24 179.63 2j6i h GLN 56 N 1.06 0.17 -0.01 3.56 4.20 -0.89 -2.90 115.11 120.29 2j6i h GLN 56 Ca 0.31 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2j6i h GLN 56 Cb -0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2j6i h GLN 56 CO -0.08 0.14 -0.32 0.72 -0.67 0.00 0.00 178.83 178.62 2j6i n HIS 57 N -4.49 0.00 -0.27 2.96 8.25 -0.61 -4.58 115.22 116.49 2j6i n HIS 57 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 2j6i n HIS 57 Cb 0.10 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.33 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 2.23 1.25 0.00 1.59 2.04 -0.75 -3.07 117.51 120.80 2j6i h ILE 58 Ca 0.00 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2j6i h ILE 58 Cb 0.63 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2j6i h ILE 58 CO 0.00 0.31 -0.05 -0.65 0.00 0.00 0.00 178.15 177.76 2j6i h PRO 59 N 1.12 0.00 0.00 2.37 0.11 -1.74 -2.92 132.00 130.93 2j6i h PRO 59 Ca 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 2j6i h PRO 59 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2j6i h PRO 59 CO -0.03 0.05 -0.16 -0.40 -0.21 0.00 0.00 178.00 177.24 2j6i n ASP 60 N -4.01 1.83 -4.71 -2.05 5.75 -1.23 -2.53 116.55 109.59 2j6i n ASP 60 Ca -0.03 -2.94 -0.41 0.00 -0.01 0.00 0.00 54.79 51.40 2j6i n ASP 60 Cb 0.13 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.31 3.24 0.04 2.12 0.00 -1.10 -4.70 121.76 119.05 2j6i s ALA 61 Ca 0.27 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 2j6i s ALA 61 Cb 0.24 -3.19 -0.30 0.00 0.00 0.00 0.00 23.12 19.87 2j6i s ALA 61 CO 0.01 -0.20 1.03 -0.44 0.00 0.00 0.00 175.76 176.15 2j6i h ASP 62 N 6.81 0.51 -4.06 0.00 5.19 -0.94 -2.30 116.42 121.62 2j6i h ASP 62 Ca -0.40 -0.58 -0.34 0.00 -0.62 0.00 0.00 57.03 55.08 2j6i h ASP 62 Cb 1.21 -0.17 -0.28 0.00 0.18 0.00 0.00 39.33 40.28 2j6i h ASP 62 CO 0.76 1.46 -0.76 -0.63 -3.12 0.00 0.00 179.24 176.95 2j6i s ILE 63 N -2.63 0.55 -0.11 0.35 1.01 -0.76 -0.62 121.20 118.98 2j6i s ILE 63 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2j6i s ILE 63 Cb 0.06 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2j6i s ILE 63 CO 0.89 0.08 -0.16 -0.63 0.00 0.00 0.00 174.94 175.12 2j6i s ILE 64 N -0.32 1.56 -0.14 2.92 1.01 -0.77 -0.57 121.20 124.88 2j6i s ILE 64 Ca 0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 2j6i s ILE 64 Cb -0.04 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2j6i s ILE 64 CO -0.00 0.45 0.03 -0.63 0.00 0.00 0.00 174.94 174.79 2j6i s ILE 65 N 0.94 4.50 0.22 2.92 1.01 0.16 -0.92 121.20 130.03 2j6i s ILE 65 Ca -0.07 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.47 2j6i s ILE 65 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2j6i s ILE 65 CO -0.01 0.52 -0.04 0.42 0.00 0.00 0.00 174.94 175.83 2j6i s THR 66 N -0.11 1.21 -0.01 2.92 -4.23 0.11 -1.51 115.64 114.02 2j6i s THR 66 Ca 0.05 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2j6i s THR 66 Cb -0.12 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.47 2j6i s THR 66 CO 0.02 -0.42 -0.06 0.28 -0.54 0.00 0.00 174.62 173.89 2j6i s THR 67 N -3.31 0.53 -1.35 3.99 -1.32 -1.25 -0.40 115.64 112.53 2j6i s THR 67 Ca 0.26 -0.27 0.14 0.00 -1.21 0.00 0.00 61.69 60.61 2j6i s THR 67 Cb 0.04 -0.46 0.22 0.00 -1.51 0.00 0.00 72.50 70.79 2j6i s THR 67 CO 0.08 0.16 1.37 -0.81 -2.21 0.00 0.00 174.62 173.20 2j6i n PRO 68 N 3.04 0.16 0.00 7.08 -0.04 -1.26 -1.89 135.00 142.09 2j6i n PRO 68 Ca -0.15 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2j6i n PRO 68 Cb 0.57 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.80 2j6i n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2j6i n PHE 69 N -1.32 0.00 -2.79 0.54 3.01 -1.26 -4.35 117.46 111.28 2j6i n PHE 69 Ca 0.06 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.42 2j6i n PHE 69 Cb 0.12 -0.18 0.06 0.00 -0.01 0.00 0.00 39.48 39.47 2j6i n PHE 69 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2j6i n HIS 70 N -1.11 -2.70 -2.49 1.38 -0.00 -0.99 -4.89 115.22 104.42 2j6i n HIS 70 Ca 0.08 -2.19 -0.42 0.00 0.46 0.00 0.00 57.72 55.65 2j6i n HIS 70 Cb 0.34 1.36 -0.03 0.00 -0.12 0.00 0.00 29.99 31.55 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 0.15 4.37 -0.16 1.57 0.04 -0.79 -4.46 135.00 135.73 2j6i s PRO 71 Ca 0.28 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 2j6i s PRO 71 Cb 0.27 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2j6i s PRO 71 CO -0.13 -0.42 1.52 0.00 0.04 0.00 0.00 177.00 178.02 2j6i s ALA 72 N 2.11 3.49 -0.49 8.56 0.00 -1.26 -4.96 121.76 129.21 2j6i s ALA 72 Ca 0.55 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 2j6i s ALA 72 Cb -0.24 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2j6i s ALA 72 CO 0.22 -1.56 1.52 0.71 0.00 0.00 0.00 175.76 176.65 2j6i s TYR 73 N 4.34 2.18 -1.23 0.00 1.51 -1.26 -4.72 117.35 118.17 2j6i s TYR 73 Ca 0.67 0.59 -0.15 0.00 -1.01 0.00 0.00 57.07 57.17 2j6i s TYR 73 Cb -0.26 -4.30 0.15 0.00 -0.11 0.00 0.00 41.96 37.43 2j6i s TYR 73 CO 0.25 -2.15 1.51 0.42 -1.11 0.00 0.00 175.55 174.47 2j6i s ILE 74 N 6.32 4.81 0.60 2.71 -1.09 0.12 -4.91 121.20 129.76 2j6i s ILE 74 Ca 0.61 -2.46 -0.04 0.00 -2.23 0.00 0.00 60.65 56.52 2j6i s ILE 74 Cb -0.13 -4.98 0.03 0.00 -1.58 0.00 0.00 42.46 35.79 2j6i s ILE 74 CO 0.28 -1.72 0.89 0.42 -1.23 0.00 0.00 174.94 173.58 2j6i s THR 75 N 2.24 3.12 0.21 2.92 -4.23 -1.26 -0.74 115.64 117.90 2j6i s THR 75 Ca 0.46 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 2j6i s THR 75 Cb -0.01 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 70.80 2j6i s THR 75 CO 0.02 -0.24 1.64 0.11 -0.54 0.00 0.00 174.62 175.61 2j6i h LYS 76 N -0.21 0.05 -0.67 3.99 1.57 -1.93 0.28 116.57 119.64 2j6i h LYS 76 Ca -0.45 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2j6i h LYS 76 Cb 1.28 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 2j6i h LYS 76 CO 0.59 0.03 0.45 0.93 -0.57 0.00 0.00 179.45 180.88 2j6i h GLU 77 N 0.05 0.89 -0.17 3.15 3.07 -1.98 -0.26 114.58 119.32 2j6i h GLU 77 Ca 0.32 -0.05 -0.22 0.00 -0.50 0.00 0.00 59.36 58.91 2j6i h GLU 77 Cb 0.51 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2j6i h GLU 77 CO -0.60 0.59 -0.74 0.00 -1.40 0.00 0.00 179.01 176.85 2j6i h ARG 78 N 0.91 0.81 -0.37 2.33 3.08 -1.65 -2.99 114.38 116.51 2j6i h ARG 78 Ca 0.25 -0.64 0.02 0.00 0.07 0.00 0.00 59.98 59.68 2j6i h ARG 78 Cb -0.11 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2j6i h ARG 78 CO -0.05 1.25 0.21 0.82 -1.07 0.00 0.00 179.97 181.12 2j6i h ILE 79 N 0.56 1.03 -0.41 2.04 2.04 -0.07 -0.83 117.51 121.87 2j6i h ILE 79 Ca -0.04 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.71 2j6i h ILE 79 Cb 1.37 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2j6i h ILE 79 CO 0.15 0.08 0.27 0.44 0.00 0.00 0.00 178.15 179.10 2j6i h ASP 80 N 0.42 0.34 1.62 1.72 3.32 -1.09 -2.40 116.42 120.36 2j6i h ASP 80 Ca 0.15 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2j6i h ASP 80 Cb 0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2j6i h ASP 80 CO -0.08 0.23 -0.39 0.11 -1.72 0.00 0.00 179.24 177.40 2j6i h LYS 81 N 0.39 0.00 -5.58 3.56 1.57 -1.23 -3.41 116.57 111.88 2j6i h LYS 81 Ca 0.17 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.26 2j6i h LYS 81 Cb 0.19 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.39 2j6i h LYS 81 CO -0.04 0.17 1.89 0.00 -0.57 0.00 0.00 179.45 180.90 2j6i s ALA 82 N -3.14 3.43 0.30 3.86 0.00 -0.38 -4.02 121.76 121.81 2j6i s ALA 82 Ca 0.04 -2.96 0.19 0.00 0.00 0.00 0.00 51.96 49.23 2j6i s ALA 82 Cb 0.07 -4.49 0.89 0.00 0.00 0.00 0.00 23.12 19.59 2j6i s ALA 82 CO 0.72 -3.19 1.85 0.87 0.00 0.00 0.00 175.76 176.01 2j6i h LYS 83 N 7.72 0.00 -0.14 0.00 1.79 -1.68 -3.01 116.57 121.25 2j6i h LYS 83 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2j6i h LYS 83 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2j6i h LYS 83 CO 1.39 0.31 0.00 1.63 -1.08 0.00 0.00 179.45 181.70 2j6i n LYS 84 N -3.75 1.73 -2.00 3.15 5.02 -1.23 -5.02 118.16 116.07 2j6i n LYS 84 Ca -0.01 -1.72 -0.42 0.00 -2.02 0.00 0.00 58.31 54.13 2j6i n LYS 84 Cb 0.41 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.34 4.35 0.00 -0.35 2.96 -0.87 -4.20 118.68 119.23 2j6i s LEU 85 Ca 0.24 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 2j6i s LEU 85 Cb 0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.28 2j6i s LEU 85 CO 0.22 -0.85 0.00 0.29 -1.32 0.00 0.00 176.35 174.70 2j6i n LYS 86 N 5.59 1.64 -3.73 1.98 5.02 0.20 -4.71 118.16 124.16 2j6i n LYS 86 Ca 0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 2j6i n LYS 86 Cb 0.41 -0.98 -0.12 0.00 -0.02 0.00 0.00 35.03 34.32 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 -3.26 0.43 -0.13 -0.35 2.96 -1.05 -1.54 118.68 115.75 2j6i s LEU 87 Ca 0.00 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2j6i s LEU 87 Cb 0.00 0.94 0.01 0.00 0.50 0.00 0.00 46.19 47.64 2j6i s LEU 87 CO 0.00 -0.15 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.00 2j6i s VAL 88 N 1.00 1.83 -0.07 1.68 1.01 -0.05 -1.85 120.40 123.94 2j6i s VAL 88 Ca -0.07 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2j6i s VAL 88 Cb -0.08 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2j6i s VAL 88 CO -0.07 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 2j6i s VAL 89 N 0.95 3.60 -0.29 2.92 1.01 -0.10 -1.52 120.40 126.97 2j6i s VAL 89 Ca -0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 2j6i s VAL 89 Cb -0.15 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2j6i s VAL 89 CO -0.03 0.59 0.10 -0.69 0.00 0.00 0.00 175.10 175.07 2j6i s VAL 90 N -0.74 4.19 -1.30 2.92 1.01 0.57 0.08 120.40 127.13 2j6i s VAL 90 Ca 0.11 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2j6i s VAL 90 Cb -0.11 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.27 2j6i s VAL 90 CO 0.01 0.13 1.75 0.00 0.00 0.00 0.00 175.10 176.99 2j6i n ALA 91 N 4.91 4.29 0.00 5.51 0.00 0.47 -3.21 120.51 132.47 2j6i n ALA 91 Ca -0.15 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.24 2j6i n ALA 91 Cb 0.49 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.62 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 4.35 0.60 2.91 0.00 0.00 -1.26 -4.72 105.19 107.06 2j6i n GLY 92 Ca 0.44 -1.60 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.44 0.52 0.00 1.61 1.01 -1.26 -1.48 120.40 117.36 2j6i s VAL 93 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2j6i s VAL 93 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2j6i s VAL 93 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2j6i n GLY 94 N 3.81 3.49 0.48 4.51 0.00 -1.26 -4.78 105.19 111.45 2j6i n GLY 94 Ca -0.23 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.04 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 1.44 0.02 1.61 3.41 -1.26 -4.66 113.62 114.17 2j6i n SER 95 Ca 0.00 -2.84 0.20 0.00 -0.26 0.00 0.00 58.87 55.97 2j6i n SER 95 Cb 0.00 -0.38 0.71 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.34 0.00 0.44 4.04 5.19 -2.02 -1.83 116.42 122.59 2j6i h ASP 96 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2j6i h ASP 96 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2j6i h ASP 96 CO 0.01 0.00 -0.04 0.00 -3.12 0.00 0.00 179.24 176.10 2j6i n HIS 97 N -4.25 0.00 -4.16 4.55 1.44 -1.26 -4.75 115.22 106.79 2j6i n HIS 97 Ca 0.09 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.46 2j6i n HIS 97 Cb 0.61 -0.22 -0.12 0.00 0.12 0.00 0.00 29.99 30.37 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 -2.48 3.96 -1.19 0.61 1.01 -0.69 -0.70 121.20 121.72 2j6i s ILE 98 Ca 0.31 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 2j6i s ILE 98 Cb 0.20 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2j6i s ILE 98 CO 0.46 0.45 1.94 -0.67 0.00 0.00 0.00 174.94 177.12 2j6i n ASP 99 N 4.03 3.69 -0.29 3.58 -0.08 0.08 -4.73 116.55 122.84 2j6i n ASP 99 Ca -0.17 -2.79 -0.01 0.00 -1.51 0.00 0.00 54.79 50.31 2j6i n ASP 99 Cb 0.52 -1.59 0.11 0.00 2.34 0.00 0.00 41.12 42.51 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 13.54 0.80 -0.96 -2.67 3.38 -1.89 -2.63 115.31 124.89 2j6i h LEU 100 Ca 0.41 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.45 2j6i h LEU 100 Cb 0.79 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2j6i h LEU 100 CO 1.61 0.53 0.62 -0.78 0.09 0.00 0.00 178.44 180.51 2j6i h ASP 101 N 0.94 1.00 -0.56 -0.43 3.58 -1.99 -1.33 116.42 117.63 2j6i h ASP 101 Ca 0.34 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.70 2j6i h ASP 101 Cb 0.10 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2j6i h ASP 101 CO -0.15 0.66 0.01 0.22 -2.88 0.00 0.00 179.24 177.10 2j6i h TYR 102 N 1.15 1.07 -0.30 0.28 3.20 -1.87 0.13 116.97 120.62 2j6i h TYR 102 Ca 0.40 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2j6i h TYR 102 Cb 0.11 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2j6i h TYR 102 CO -0.01 0.96 0.17 0.82 -1.64 0.00 0.00 178.16 178.47 2j6i h ILE 103 N 0.86 1.12 -0.78 1.81 2.04 -1.24 -1.48 117.51 119.85 2j6i h ILE 103 Ca 0.16 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2j6i h ILE 103 Cb 0.53 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2j6i h ILE 103 CO 0.03 0.12 0.33 -1.13 0.00 0.00 0.00 178.15 177.49 2j6i h ASN 104 N 0.38 1.07 -0.18 1.72 -0.73 -1.05 -2.78 115.58 114.02 2j6i h ASN 104 Ca 0.11 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 2j6i h ASN 104 Cb 0.04 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 2j6i h ASN 104 CO -0.02 0.94 -0.03 -0.61 -0.37 0.00 0.00 177.43 177.34 2j6i h GLN 105 N 1.13 0.33 0.00 6.67 -0.00 -0.54 -3.17 115.11 119.53 2j6i h GLN 105 Ca 0.26 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 2j6i h GLN 105 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.66 2j6i h GLN 105 CO -0.02 0.58 0.00 1.79 0.00 0.00 0.00 178.83 181.18 2j6i h THR 106 N 0.05 0.00 0.00 2.39 1.35 -1.29 -3.46 112.91 111.95 2j6i h THR 106 Ca 0.05 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2j6i h THR 106 Cb 0.45 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2j6i h THR 106 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 2j6i n GLY 107 N 0.18 0.48 3.76 5.82 0.00 -1.10 -5.01 105.19 109.32 2j6i n GLY 107 Ca 0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.64 4.22 -1.37 1.61 1.02 -1.07 -4.89 119.74 118.62 2j6i s LYS 108 Ca 0.00 2.40 -0.10 0.00 0.02 0.00 0.00 55.97 58.29 2j6i s LYS 108 Cb 0.00 -3.06 0.10 0.00 -0.52 0.00 0.00 37.83 34.35 2j6i s LYS 108 CO 0.00 -0.45 2.18 1.63 -0.92 0.00 0.00 175.35 177.79 2j6i n LYS 109 N 1.77 3.61 -4.24 1.68 4.76 -1.26 -3.38 118.16 121.09 2j6i n LYS 109 Ca 0.05 -3.12 -0.33 0.00 -2.87 0.00 0.00 58.31 52.03 2j6i n LYS 109 Cb 0.40 -2.95 -0.15 0.00 -1.84 0.00 0.00 35.03 30.48 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 1.03 2.54 0.26 -0.18 1.01 -1.26 -4.68 121.20 119.92 2j6i s ILE 110 Ca 0.47 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 2j6i s ILE 110 Cb 0.13 -2.09 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 2j6i s ILE 110 CO -0.04 0.51 0.78 -0.44 0.00 0.00 0.00 174.94 175.74 2j6i s SER 111 N 1.15 7.07 -0.07 3.58 0.01 -0.59 -0.38 113.70 124.47 2j6i s SER 111 Ca 0.01 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2j6i s SER 111 Cb -0.14 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2j6i s SER 111 CO -0.06 -0.03 -0.05 -0.69 0.41 0.00 0.00 173.24 172.81 2j6i s VAL 112 N -1.63 0.71 0.04 3.43 1.01 0.31 -0.87 120.40 123.39 2j6i s VAL 112 Ca 0.47 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2j6i s VAL 112 Cb -0.16 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2j6i s VAL 112 CO 0.21 0.29 -0.10 -0.76 0.00 0.00 0.00 175.10 174.74 2j6i s LEU 113 N 1.33 2.20 0.26 3.92 1.02 -0.58 -0.42 118.68 126.41 2j6i s LEU 113 Ca -0.04 -0.46 0.05 0.00 0.02 0.00 0.00 54.13 53.70 2j6i s LEU 113 Cb -0.14 -0.34 -0.06 0.00 0.02 0.00 0.00 46.19 45.68 2j6i s LEU 113 CO -0.03 -0.08 -0.01 -1.83 0.02 0.00 0.00 176.35 174.42 2j6i s GLU 114 N -1.25 1.45 -1.21 1.70 -1.05 -0.29 -0.32 118.70 117.74 2j6i s GLU 114 Ca -0.04 -1.75 -0.12 0.00 -0.15 0.00 0.00 54.97 52.91 2j6i s GLU 114 Cb -0.08 -0.83 0.19 0.00 -0.44 0.00 0.00 34.13 32.97 2j6i s GLU 114 CO 0.01 -0.07 1.48 0.28 0.95 0.00 0.00 175.26 177.91 2j6i n VAL 115 N -0.51 4.36 -1.76 1.83 0.31 -0.55 -4.42 118.33 117.58 2j6i n VAL 115 Ca -0.05 -4.80 -0.41 0.00 -0.01 0.00 0.00 64.34 59.07 2j6i n VAL 115 Cb 0.64 -2.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 2j6i n VAL 115 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2j6i s THR 116 N 0.81 2.00 0.00 2.52 2.01 -1.26 -2.35 115.64 119.38 2j6i s THR 116 Ca 0.40 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2j6i s THR 116 Cb -0.01 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2j6i s THR 116 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2j6i n GLY 117 N 1.61 2.29 0.25 4.40 0.00 -1.26 -4.91 105.19 107.57 2j6i n GLY 117 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 0.05 1.61 4.64 -1.85 -3.21 113.55 114.79 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 0.08 -1.42 -0.46 -0.87 0.00 0.00 176.83 174.16 2j6i n ASN 119 N -3.18 0.55 0.02 4.97 6.94 -1.26 -4.75 115.26 118.55 2j6i n ASN 119 Ca 0.01 -0.50 -0.12 0.00 -0.02 0.00 0.00 54.58 53.95 2j6i n ASN 119 Cb 0.40 1.39 -0.08 0.00 -2.36 0.00 0.00 39.78 39.13 2j6i n ASN 119 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 2j6i h VAL 120 N 0.00 1.13 -0.61 3.53 -1.51 -1.96 -1.71 116.25 115.12 2j6i h VAL 120 Ca 0.00 -0.40 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 2j6i h VAL 120 Cb 0.73 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.24 2j6i h VAL 120 CO 0.00 0.11 0.35 0.58 -1.23 0.00 0.00 177.57 177.37 2j6i h VAL 121 N -0.15 1.19 -0.32 7.19 2.07 -1.85 -0.94 116.25 123.44 2j6i h VAL 121 Ca 0.00 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2j6i h VAL 121 Cb 0.17 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2j6i h VAL 121 CO -0.00 0.21 0.12 0.28 0.02 0.00 0.00 177.57 178.19 2j6i h SER 122 N 0.83 0.13 -0.37 0.57 0.02 -1.74 0.66 113.55 113.66 2j6i h SER 122 Ca 0.22 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 2j6i h SER 122 Cb 0.02 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2j6i h SER 122 CO -0.04 0.11 -0.12 0.58 -1.14 0.00 0.00 176.83 176.22 2j6i h VAL 123 N 0.26 1.28 -0.56 2.27 2.07 -1.23 -1.96 116.25 118.38 2j6i h VAL 123 Ca 0.14 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.49 2j6i h VAL 123 Cb 0.11 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2j6i h VAL 123 CO -0.14 0.40 0.30 0.00 0.02 0.00 0.00 177.57 178.15 2j6i h ALA 124 N 0.81 0.73 -0.81 1.67 0.00 -0.75 0.13 119.26 121.04 2j6i h ALA 124 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2j6i h ALA 124 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2j6i h ALA 124 CO 0.04 -0.03 0.49 0.93 0.00 0.00 0.00 179.25 180.68 2j6i h GLU 125 N 0.58 1.10 -0.47 0.00 5.08 -0.80 -1.86 114.58 118.21 2j6i h GLU 125 Ca 0.25 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2j6i h GLU 125 Cb 0.13 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2j6i h GLU 125 CO -0.16 0.77 0.29 1.25 -1.00 0.00 0.00 179.01 180.16 2j6i h HIS 126 N 1.11 0.54 0.06 4.33 2.76 -0.40 0.14 115.15 123.69 2j6i h HIS 126 Ca 0.29 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 2j6i h HIS 126 Cb -0.04 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 2j6i h HIS 126 CO -0.01 0.32 -0.11 0.28 -1.30 0.00 0.00 177.93 177.11 2j6i h VAL 127 N 0.58 0.73 -0.71 5.26 2.07 -0.38 -0.02 116.25 123.78 2j6i h VAL 127 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 2j6i h VAL 127 Cb -0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2j6i h VAL 127 CO -0.07 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.42 2j6i h VAL 128 N -0.22 1.24 -0.51 2.57 2.07 -1.09 0.66 116.25 120.96 2j6i h VAL 128 Ca 0.02 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2j6i h VAL 128 Cb 0.24 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2j6i h VAL 128 CO -0.07 0.29 0.27 -0.03 0.02 0.00 0.00 177.57 178.04 2j6i h MET 129 N 1.00 0.51 -0.65 1.57 -1.53 -0.47 -1.03 114.93 114.32 2j6i h MET 129 Ca 0.24 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.40 2j6i h MET 129 Cb 0.15 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 2j6i h MET 129 CO -0.03 0.34 0.13 1.15 0.14 0.00 0.00 176.91 178.64 2j6i h THR 130 N 0.53 1.26 -0.08 -0.77 2.02 -0.56 0.11 112.91 115.42 2j6i h THR 130 Ca 0.22 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.44 2j6i h THR 130 Cb 0.11 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2j6i h THR 130 CO -0.14 0.37 -0.04 0.24 0.37 0.00 0.00 175.52 176.31 2j6i h MET 131 N 0.99 -0.04 -0.18 6.66 2.86 -0.53 -0.38 114.93 124.31 2j6i h MET 131 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2j6i h MET 131 Cb 0.40 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2j6i h MET 131 CO 0.01 -0.03 0.11 -0.07 1.06 0.00 0.00 176.91 177.99 2j6i h LEU 132 N -0.04 0.21 -0.51 1.22 3.38 -0.81 0.25 115.31 119.01 2j6i h LEU 132 Ca 0.05 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2j6i h LEU 132 Cb 0.11 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2j6i h LEU 132 CO -0.10 0.19 0.17 0.58 0.09 0.00 0.00 178.44 179.36 2j6i h VAL 133 N 0.22 0.80 0.31 1.22 2.07 -0.61 0.64 116.25 120.90 2j6i h VAL 133 Ca 0.06 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2j6i h VAL 133 Cb 0.01 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2j6i h VAL 133 CO -0.01 0.06 -0.15 -0.07 0.02 0.00 0.00 177.57 177.42 2j6i h LEU 134 N 0.34 -0.35 -0.97 2.57 3.38 -0.86 -0.43 115.31 118.99 2j6i h LEU 134 Ca 0.25 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2j6i h LEU 134 Cb 0.28 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2j6i h LEU 134 CO -0.27 0.05 0.63 0.58 0.09 0.00 0.00 178.44 179.53 2j6i h VAL 135 N -0.81 1.16 -0.13 1.22 2.07 -0.79 -1.20 116.25 117.76 2j6i h VAL 135 Ca -0.04 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2j6i h VAL 135 Cb 0.51 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2j6i h VAL 135 CO 0.07 0.22 0.00 0.54 0.02 0.00 0.00 177.57 178.42 2j6i n ARG 136 N -4.47 1.81 -3.75 1.57 1.74 0.20 -0.36 116.66 113.40 2j6i n ARG 136 Ca 0.13 -1.20 -0.27 0.00 -0.77 0.00 0.00 57.85 55.74 2j6i n ARG 136 Cb 0.11 -1.43 0.05 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.43 -5.62 -0.22 0.55 5.15 -0.45 -4.70 115.26 110.40 2j6i n ASN 137 Ca 0.17 -0.65 -0.06 0.00 -0.60 0.00 0.00 54.58 53.43 2j6i n ASN 137 Cb 0.37 -4.45 0.04 0.00 -0.53 0.00 0.00 39.78 35.22 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 -2.37 0.85 0.35 1.20 3.57 -1.36 -3.19 116.94 115.99 2j6i h PHE 138 Ca -0.57 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 60.91 2j6i h PHE 138 Cb 1.37 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 2j6i h PHE 138 CO 0.54 0.60 -0.28 0.28 -2.23 0.00 0.00 178.31 177.21 2j6i h VAL 139 N 0.85 0.40 0.00 1.41 2.07 -1.91 0.27 116.25 119.35 2j6i h VAL 139 Ca 0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 2j6i h VAL 139 Cb 0.02 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2j6i h VAL 139 CO -0.04 0.00 -0.13 1.55 0.02 0.00 0.00 177.57 178.97 2j6i h PRO 140 N -0.64 0.00 0.01 1.57 0.13 -1.93 -0.25 132.00 130.89 2j6i h PRO 140 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2j6i h PRO 140 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2j6i h PRO 140 CO -0.02 0.13 -0.01 0.00 -0.23 0.00 0.00 178.00 177.88 2j6i h ALA 141 N 1.87 -0.02 -0.45 -0.56 0.00 -1.22 -1.72 119.26 117.16 2j6i h ALA 141 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2j6i h ALA 141 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2j6i h ALA 141 CO 0.02 -0.34 0.02 1.25 0.00 0.00 0.00 179.25 180.20 2j6i h HIS 142 N -0.37 0.76 -0.81 0.00 -0.00 -0.11 -2.69 115.15 111.93 2j6i h HIS 142 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2j6i h HIS 142 Cb 0.36 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 2j6i h HIS 142 CO 0.04 0.71 0.51 1.49 -0.00 0.00 0.00 177.93 180.68 2j6i h GLU 143 N 0.68 1.09 -0.59 5.26 4.57 -0.95 -2.03 114.58 122.61 2j6i h GLU 143 Ca 0.14 -0.08 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 2j6i h GLU 143 Cb 0.40 -0.24 -0.10 0.00 -0.16 0.00 0.00 28.75 28.66 2j6i h GLU 143 CO 0.01 0.74 0.03 1.96 -1.18 0.00 0.00 179.01 180.58 2j6i h GLN 144 N 1.11 0.14 0.15 1.92 4.20 -0.97 0.12 115.11 121.78 2j6i h GLN 144 Ca 0.29 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2j6i h GLN 144 Cb -0.08 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2j6i h GLN 144 CO -0.06 0.09 -0.07 0.82 -0.67 0.00 0.00 178.83 178.94 2j6i h ILE 145 N 0.15 0.90 0.00 2.54 1.08 -1.27 0.22 117.51 121.13 2j6i h ILE 145 Ca 0.31 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2j6i h ILE 145 Cb 0.48 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2j6i h ILE 145 CO -0.48 0.05 -0.24 0.16 -0.69 0.00 0.00 178.15 176.95 2j6i h ILE 146 N -0.31 0.59 -0.13 -0.67 3.07 -1.12 -1.82 117.51 117.11 2j6i h ILE 146 Ca -0.02 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 65.20 2j6i h ILE 146 Cb 0.24 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2j6i h ILE 146 CO 0.03 0.24 0.00 -3.20 -1.05 0.00 0.00 178.15 174.17 2j6i n ASN 147 N -3.40 1.04 -2.20 2.16 5.15 0.40 -4.92 115.26 113.50 2j6i n ASN 147 Ca 0.00 -1.71 -0.17 0.00 -0.60 0.00 0.00 54.58 52.10 2j6i n ASN 147 Cb 0.45 -0.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.62 2j6i n ASN 147 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2j6i n HIS 148 N -0.05 -1.23 -3.52 1.20 8.25 -0.68 -5.01 115.22 114.17 2j6i n HIS 148 Ca 0.13 0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 57.62 2j6i n HIS 148 Cb 0.21 -3.60 -0.02 0.00 1.12 0.00 0.00 29.99 27.70 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 -2.55 5.06 -0.32 0.41 1.01 0.70 -5.03 116.67 115.95 2j6i s ASP 149 Ca 0.14 -0.77 0.01 0.00 0.71 0.00 0.00 52.55 52.64 2j6i s ASP 149 Cb -0.06 -0.44 0.19 0.00 1.01 0.00 0.00 42.92 43.62 2j6i s ASP 149 CO 0.17 -0.74 0.75 0.86 0.21 0.00 0.00 175.17 176.42 2j6i s TRP 150 N -2.50 -1.37 -0.29 4.23 -0.11 -1.26 -4.30 118.94 113.33 2j6i s TRP 150 Ca 0.48 0.62 0.00 0.00 1.22 0.00 0.00 56.10 58.43 2j6i s TRP 150 Cb -0.04 0.24 0.14 0.00 -1.50 0.00 0.00 33.47 32.31 2j6i s TRP 150 CO 0.28 -0.84 0.32 -2.00 -4.62 0.00 0.00 176.95 170.09 2j6i s GLU 151 N 2.57 0.34 0.20 5.86 2.12 -1.26 -5.04 118.70 123.49 2j6i s GLU 151 Ca 0.16 -0.09 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 2j6i s GLU 151 Cb -0.06 -0.58 0.14 0.00 0.26 0.00 0.00 34.13 33.89 2j6i s GLU 151 CO -0.20 -1.03 1.78 0.28 -0.54 0.00 0.00 175.26 175.55 2j6i h VAL 152 N 6.24 1.24 -0.75 3.70 2.07 -2.00 -2.29 116.25 124.46 2j6i h VAL 152 Ca -0.12 -0.72 0.10 0.00 0.82 0.00 0.00 66.70 66.78 2j6i h VAL 152 Cb 1.08 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2j6i h VAL 152 CO 0.32 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.70 2j6i h ALA 153 N 1.17 1.82 0.00 1.67 0.00 -1.97 0.33 119.26 122.27 2j6i h ALA 153 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2j6i h ALA 153 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2j6i h ALA 153 CO -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 2j6i h ALA 154 N 1.62 1.44 0.01 0.00 0.00 -1.85 -1.72 119.26 118.76 2j6i h ALA 154 Ca 0.35 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.81 2j6i h ALA 154 Cb 0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2j6i h ALA 154 CO -0.13 0.05 -2.32 -0.89 0.00 0.00 0.00 179.25 175.97 2j6i n ILE 155 N -3.77 1.54 0.01 0.00 2.08 -0.16 -4.49 119.36 114.55 2j6i n ILE 155 Ca -0.03 -0.39 0.06 0.00 0.56 0.00 0.00 62.75 62.96 2j6i n ILE 155 Cb 0.13 -1.80 0.46 0.00 -0.75 0.00 0.00 39.64 37.68 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 -0.66 1.80 -0.01 -1.39 0.00 -0.30 -2.57 119.26 116.13 2j6i h ALA 156 Ca -0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2j6i h ALA 156 Cb 1.65 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2j6i h ALA 156 CO -0.30 0.15 0.18 1.57 0.00 0.00 0.00 179.25 180.86 2j6i h LYS 157 N 0.47 0.00 0.00 0.00 2.10 -1.54 -2.25 116.57 115.35 2j6i h LYS 157 Ca 0.16 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.78 2j6i h LYS 157 Cb 0.07 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.33 2j6i h LYS 157 CO -0.04 0.00 -0.47 -3.47 -2.00 0.00 0.00 179.45 173.47 2j6i n ASP 158 N -3.01 0.94 -4.58 7.07 2.03 -0.98 -5.05 116.55 112.98 2j6i n ASP 158 Ca -0.02 -2.46 -0.34 0.00 0.52 0.00 0.00 54.79 52.49 2j6i n ASP 158 Cb 0.24 -0.31 -0.11 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.04 3.15 0.29 -1.67 0.00 -0.85 -4.49 121.76 117.16 2j6i s ALA 159 Ca 0.18 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2j6i s ALA 159 Cb 0.18 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.65 2j6i s ALA 159 CO -0.03 0.32 -0.00 0.71 0.00 0.00 0.00 175.76 176.75 2j6i s TYR 160 N -0.01 1.91 0.30 0.00 1.51 0.51 -4.96 117.35 116.61 2j6i s TYR 160 Ca 0.02 -0.83 -0.13 0.00 -1.01 0.00 0.00 57.07 55.12 2j6i s TYR 160 Cb -0.13 -1.16 -0.08 0.00 -0.11 0.00 0.00 41.96 40.47 2j6i s TYR 160 CO 0.02 0.13 0.69 -0.51 -1.11 0.00 0.00 175.55 174.78 2j6i s ASP 161 N -3.44 6.72 0.32 2.29 1.01 -1.26 -3.62 116.67 118.68 2j6i s ASP 161 Ca 0.32 1.18 0.17 0.00 0.71 0.00 0.00 52.55 54.93 2j6i s ASP 161 Cb 0.06 -2.33 0.36 0.00 1.01 0.00 0.00 42.92 42.02 2j6i s ASP 161 CO 0.13 -0.18 1.58 -0.29 0.21 0.00 0.00 175.17 176.62 2j6i h ILE 162 N 1.93 0.92 -3.01 0.77 2.10 -1.92 -3.45 117.51 114.85 2j6i h ILE 162 Ca -0.48 -1.94 -0.58 0.00 1.08 0.00 0.00 64.86 62.94 2j6i h ILE 162 Cb 1.17 2.20 0.12 0.00 -1.09 0.00 0.00 36.82 39.22 2j6i h ILE 162 CO 0.66 0.46 0.27 1.21 -1.08 0.00 0.00 178.15 179.67 2j6i n GLU 163 N -3.38 1.60 -0.91 2.19 2.13 -1.24 -2.46 120.64 118.57 2j6i n GLU 163 Ca 0.01 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.39 2j6i n GLU 163 Cb 0.63 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.25 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 1.06 1.00 3.89 8.31 0.00 -0.17 -4.87 105.19 114.40 2j6i n GLY 164 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 3.64 -0.20 1.61 -0.14 -1.03 -3.99 119.74 119.56 2j6i s LYS 165 Ca 0.00 -0.04 -0.18 0.00 -1.36 0.00 0.00 55.97 54.39 2j6i s LYS 165 Cb 0.00 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 2j6i s LYS 165 CO 0.00 0.51 0.49 0.99 -0.76 0.00 0.00 175.35 176.58 2j6i s THR 166 N -1.56 5.13 -0.10 2.17 2.01 -1.26 -0.43 115.64 121.60 2j6i s THR 166 Ca 0.38 0.89 0.03 0.00 0.31 0.00 0.00 61.69 63.30 2j6i s THR 166 Cb -0.13 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2j6i s THR 166 CO 0.22 0.20 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.51 2j6i s ILE 167 N 1.52 1.92 -0.08 1.82 1.01 -0.53 -0.09 121.20 126.77 2j6i s ILE 167 Ca 0.23 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2j6i s ILE 167 Cb -0.15 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 2j6i s ILE 167 CO 0.09 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.34 2j6i s ALA 168 N 0.51 2.02 -0.19 9.38 0.00 0.06 -0.36 121.76 133.20 2j6i s ALA 168 Ca -0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2j6i s ALA 168 Cb -0.17 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2j6i s ALA 168 CO 0.06 0.30 0.05 -0.08 0.00 0.00 0.00 175.76 176.08 2j6i s THR 169 N 0.25 4.59 -0.60 0.00 -1.32 -0.36 -0.72 115.64 117.48 2j6i s THR 169 Ca -0.14 -0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.00 2j6i s THR 169 Cb -0.16 -3.07 0.05 0.00 -1.51 0.00 0.00 72.50 67.81 2j6i s THR 169 CO 0.07 0.45 0.98 -0.63 -2.21 0.00 0.00 174.62 173.28 2j6i s ILE 170 N 0.51 4.31 0.00 5.08 1.01 0.29 -1.33 121.20 131.07 2j6i s ILE 170 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2j6i s ILE 170 Cb -0.13 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.72 2j6i s ILE 170 CO 0.01 -1.30 0.00 0.61 0.00 0.00 0.00 174.94 174.27 2j6i n GLY 171 N 5.21 1.71 0.67 6.18 0.00 0.14 -0.25 105.19 118.84 2j6i n GLY 171 Ca 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.69 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 2.99 3.01 -1.00 4.61 0.00 -1.26 -4.51 120.51 124.36 2j6i n ALA 172 Ca 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.62 2j6i n ALA 172 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.78 -0.95 0.23 0.00 0.00 -1.26 -4.20 105.19 98.24 2j6i n GLY 173 Ca 0.14 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.22 -0.03 1.61 3.08 -1.96 0.49 114.38 117.35 2j6i h ARG 174 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2j6i h ARG 174 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2j6i h ARG 174 CO 0.00 -0.14 -0.14 0.82 -1.07 0.00 0.00 179.97 179.44 2j6i h ILE 175 N -0.23 1.49 -0.96 2.04 2.04 -1.91 -2.39 117.51 117.60 2j6i h ILE 175 Ca 0.11 -1.64 0.15 0.00 1.00 0.00 0.00 64.86 64.48 2j6i h ILE 175 Cb 0.38 2.49 -0.09 0.00 -0.74 0.00 0.00 36.82 38.86 2j6i h ILE 175 CO -0.29 0.45 0.58 1.23 0.00 0.00 0.00 178.15 180.11 2j6i h GLY 176 N -0.45 1.63 0.95 5.37 0.00 -1.75 0.20 103.07 109.01 2j6i h GLY 176 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 2j6i h GLY 176 CO 0.03 0.04 -0.21 -1.82 0.00 0.00 0.00 176.54 174.58 2j6i h TYR 177 N 0.83 0.80 -0.07 5.60 3.20 -0.89 -1.73 116.97 124.71 2j6i h TYR 177 Ca 0.51 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 2j6i h TYR 177 Cb 0.66 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2j6i h TYR 177 CO -0.02 0.94 -0.23 0.00 -1.64 0.00 0.00 178.16 177.20 2j6i h ARG 178 N 0.44 0.13 0.06 1.82 3.08 -0.87 0.10 114.38 119.14 2j6i h ARG 178 Ca 0.06 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2j6i h ARG 178 Cb 0.76 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2j6i h ARG 178 CO 0.06 0.36 -0.03 0.28 -1.07 0.00 0.00 179.97 179.57 2j6i h VAL 179 N 0.12 0.95 -0.65 2.04 2.07 -0.78 -2.06 116.25 117.94 2j6i h VAL 179 Ca 0.02 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2j6i h VAL 179 Cb 0.48 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2j6i h VAL 179 CO 0.03 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.98 2j6i h LEU 180 N -0.08 0.72 -0.80 2.57 3.38 -0.45 -1.47 115.31 119.19 2j6i h LEU 180 Ca -0.01 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.06 2j6i h LEU 180 Cb 0.06 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 2j6i h LEU 180 CO 0.01 0.52 0.42 -0.33 0.09 0.00 0.00 178.44 179.15 2j6i h GLU 181 N 0.86 0.64 0.00 1.13 5.08 -0.96 -1.86 114.58 119.47 2j6i h GLU 181 Ca 0.25 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2j6i h GLU 181 Cb -0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2j6i h GLU 181 CO -0.07 0.43 -0.17 0.00 -1.00 0.00 0.00 179.01 178.20 2j6i h ARG 182 N 0.66 0.00 0.00 2.33 3.08 -0.78 -3.12 114.38 116.55 2j6i h ARG 182 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2j6i h ARG 182 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2j6i h ARG 182 CO -0.30 0.17 -0.57 -0.07 -1.07 0.00 0.00 179.97 178.13 2j6i h LEU 183 N 0.00 0.00 -0.61 3.04 3.38 -0.49 -3.39 115.31 117.24 2j6i h LEU 183 Ca -0.00 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2j6i h LEU 183 Cb 0.79 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 2j6i h LEU 183 CO 0.02 0.02 -0.39 0.58 0.09 0.00 0.00 178.44 178.76 2j6i h VAL 184 N 0.00 0.12 0.00 1.22 2.07 -1.37 -1.02 116.25 117.26 2j6i h VAL 184 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2j6i h VAL 184 Cb 0.94 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2j6i h VAL 184 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2j6i n PRO 185 N -5.42 0.68 0.00 1.57 -0.04 -1.26 -2.56 135.00 127.96 2j6i n PRO 185 Ca 0.03 0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2j6i n PRO 185 Cb 0.35 -1.50 0.83 0.00 -0.04 0.00 0.00 33.50 33.15 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 -1.08 0.00 -3.63 0.54 3.01 -0.39 -4.94 117.46 110.97 2j6i n PHE 186 Ca 0.17 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.42 2j6i n PHE 186 Cb 0.12 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.95 -2.24 -4.71 4.37 5.15 -1.06 -3.67 115.26 112.16 2j6i n ASN 187 Ca 0.21 -0.73 -0.33 0.00 -0.60 0.00 0.00 54.58 53.13 2j6i n ASN 187 Cb 0.10 -4.47 0.11 0.00 -0.53 0.00 0.00 39.78 34.99 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 -5.87 1.85 0.15 1.20 0.04 -1.26 -1.00 135.00 130.11 2j6i s PRO 188 Ca 0.12 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 2j6i s PRO 188 Cb -0.05 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2j6i s PRO 188 CO 0.78 -2.04 1.78 -0.22 0.04 0.00 0.00 177.00 177.34 2j6i h LYS 189 N -0.73 0.38 -2.20 4.56 1.63 -0.88 -3.42 116.57 115.92 2j6i h LYS 189 Ca -0.46 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.24 2j6i h LYS 189 Cb 1.29 -0.09 -0.19 0.00 -0.60 0.00 0.00 32.23 32.64 2j6i h LYS 189 CO 0.48 0.25 0.09 -2.00 -3.45 0.00 0.00 179.45 174.82 2j6i s GLU 190 N -6.16 0.97 -0.19 1.90 2.12 -1.23 -4.98 118.70 111.13 2j6i s GLU 190 Ca -0.13 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 2j6i s GLU 190 Cb 0.11 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.93 2j6i s GLU 190 CO 0.72 -0.29 0.00 -0.51 -0.54 0.00 0.00 175.26 174.64 2j6i s LEU 191 N -1.10 3.34 0.11 2.70 1.43 -1.26 -1.45 118.68 122.45 2j6i s LEU 191 Ca -0.11 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 52.94 2j6i s LEU 191 Cb -0.01 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2j6i s LEU 191 CO 0.08 0.10 -0.23 -0.76 0.23 0.00 0.00 176.35 175.77 2j6i s LEU 192 N 0.78 2.29 0.02 1.79 1.43 0.52 -1.23 118.68 124.28 2j6i s LEU 192 Ca 0.00 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2j6i s LEU 192 Cb -0.14 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2j6i s LEU 192 CO 0.02 0.12 -0.04 -0.72 0.23 0.00 0.00 176.35 175.96 2j6i s TYR 193 N -1.09 0.37 -0.14 0.29 -0.85 -0.74 -1.22 117.35 113.97 2j6i s TYR 193 Ca 0.10 -0.35 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 2j6i s TYR 193 Cb -0.10 -0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.01 2j6i s TYR 193 CO 0.05 -0.09 -0.21 -0.47 -1.52 0.00 0.00 175.55 173.30 2j6i s TYR 194 N -0.96 2.67 0.15 -3.49 5.04 -0.44 -1.13 117.35 119.19 2j6i s TYR 194 Ca -0.08 -1.26 -0.12 0.00 -2.44 0.00 0.00 57.07 53.17 2j6i s TYR 194 Cb -0.07 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.44 2j6i s TYR 194 CO -0.00 -0.56 0.34 0.34 -1.34 0.00 0.00 175.55 174.33 2j6i s ASP 195 N 0.73 -0.07 0.49 4.32 -1.08 -1.26 0.24 116.67 120.05 2j6i s ASP 195 Ca -0.09 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.60 2j6i s ASP 195 Cb -0.16 0.46 1.18 0.00 -1.46 0.00 0.00 42.92 42.94 2j6i s ASP 195 CO 0.00 -0.89 1.93 0.10 0.52 0.00 0.00 175.17 176.83 2j6i h TYR 196 N 2.47 0.00 -3.95 -5.34 -0.00 -1.99 -3.43 116.97 104.72 2j6i h TYR 196 Ca -0.32 0.00 -0.29 0.00 -0.00 0.00 0.00 58.73 58.12 2j6i h TYR 196 Cb 1.24 0.00 -0.23 0.00 -0.00 0.00 0.00 36.73 37.74 2j6i h TYR 196 CO 0.38 0.14 -0.74 1.14 -0.00 0.00 0.00 178.16 179.08 2j6i s GLN 197 N -3.77 0.51 0.61 0.10 -2.07 -1.26 -5.15 119.66 108.63 2j6i s GLN 197 Ca -0.00 -0.61 -0.18 0.00 -1.82 0.00 0.00 55.36 52.75 2j6i s GLN 197 Cb 0.10 -0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 31.67 2j6i s GLN 197 CO 0.59 0.07 1.19 0.00 -1.32 0.00 0.00 175.29 175.82 2j6i s ALA 198 N -1.05 2.51 0.39 2.60 0.00 -1.26 -4.99 121.76 119.96 2j6i s ALA 198 Ca -0.07 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 2j6i s ALA 198 Cb -0.08 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 2j6i s ALA 198 CO 0.00 -1.19 1.01 -0.51 0.00 0.00 0.00 175.76 175.07 2j6i s LEU 199 N -4.23 4.14 0.53 0.00 1.43 -1.26 -5.02 118.68 114.27 2j6i s LEU 199 Ca 0.75 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 55.60 2j6i s LEU 199 Cb -0.28 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 41.60 2j6i s LEU 199 CO 0.34 -0.39 0.28 -2.65 0.23 0.00 0.00 176.35 174.17 2j6i n PRO 200 N -0.06 0.32 0.07 1.29 -0.02 -1.26 -4.65 135.00 130.69 2j6i n PRO 200 Ca 0.05 0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 2j6i n PRO 200 Cb 0.51 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 2j6i n PRO 200 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2j6i h LYS 201 N 0.20 -0.11 -0.79 -0.52 1.79 -1.99 0.12 116.57 115.27 2j6i h LYS 201 Ca -0.43 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2j6i h LYS 201 Cb 1.42 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 32.06 2j6i h LYS 201 CO 0.46 -0.07 0.49 -0.44 -1.08 0.00 0.00 179.45 178.80 2j6i h ASP 202 N -0.11 0.94 -0.57 0.86 3.32 -1.99 -1.69 116.42 117.18 2j6i h ASP 202 Ca -0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2j6i h ASP 202 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2j6i h ASP 202 CO -0.00 0.72 0.21 0.00 -1.72 0.00 0.00 179.24 178.45 2j6i h ALA 203 N 1.26 0.74 -0.55 3.45 0.00 -1.81 -1.12 119.26 121.23 2j6i h ALA 203 Ca 0.28 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2j6i h ALA 203 Cb -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2j6i h ALA 203 CO -0.06 0.37 0.22 0.93 0.00 0.00 0.00 179.25 180.72 2j6i h GLU 204 N 0.78 0.41 0.00 0.00 5.08 -0.29 -3.09 114.58 117.47 2j6i h GLU 204 Ca 0.19 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 2j6i h GLU 204 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2j6i h GLU 204 CO -0.01 0.27 -0.95 0.93 -1.00 0.00 0.00 179.01 178.25 2j6i h GLU 205 N 0.42 0.00 -0.34 2.33 5.08 -1.05 -0.54 114.58 120.49 2j6i h GLU 205 Ca 0.26 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 2j6i h GLU 205 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2j6i h GLU 205 CO -0.24 0.95 0.24 -0.22 -1.00 0.00 0.00 179.01 178.73 2j6i h LYS 206 N 0.00 0.09 -0.02 2.33 3.64 -1.12 -2.46 116.57 119.03 2j6i h LYS 206 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2j6i h LYS 206 Cb 1.73 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 2j6i h LYS 206 CO 0.12 0.06 0.00 1.33 -2.27 0.00 0.00 179.45 178.69 2j6i n VAL 207 N -4.46 0.03 -2.60 2.00 0.24 -1.18 -4.99 118.33 107.37 2j6i n VAL 207 Ca 0.05 -0.52 -0.19 0.00 -2.04 0.00 0.00 64.34 61.64 2j6i n VAL 207 Cb 0.35 1.21 0.01 0.00 -1.47 0.00 0.00 33.84 33.94 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 0.62 -0.37 3.86 7.63 0.00 -0.67 -4.84 105.19 111.41 2j6i n GLY 208 Ca 0.07 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.99 3.32 -0.09 4.61 0.00 -0.30 -4.36 121.76 121.95 2j6i s ALA 209 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2j6i s ALA 209 Cb -0.05 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.32 2j6i s ALA 209 CO 0.15 0.18 -0.15 0.50 0.00 0.00 0.00 175.76 176.44 2j6i s ARG 210 N -3.36 2.09 0.18 0.00 3.52 -0.36 -4.75 118.95 116.27 2j6i s ARG 210 Ca 0.53 -0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 2j6i s ARG 210 Cb -0.10 -1.76 -0.08 0.00 -1.56 0.00 0.00 34.95 31.45 2j6i s ARG 210 CO 0.23 -0.02 1.22 0.50 -0.81 0.00 0.00 175.30 176.42 2j6i s ARG 211 N 0.87 4.46 -0.14 5.12 3.52 -1.26 -1.79 118.95 129.73 2j6i s ARG 211 Ca -0.10 1.90 0.02 0.00 -0.13 0.00 0.00 55.73 57.43 2j6i s ARG 211 Cb -0.15 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 2j6i s ARG 211 CO 0.01 -0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 174.24 2j6i s VAL 212 N 0.07 2.21 -0.15 7.11 1.01 -0.29 -4.91 120.40 125.45 2j6i s VAL 212 Ca 0.54 -0.93 0.17 0.00 0.00 0.00 0.00 61.98 61.76 2j6i s VAL 212 Cb -0.33 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2j6i s VAL 212 CO 0.36 0.54 1.11 -0.33 0.00 0.00 0.00 175.10 176.78 2j6i h GLU 213 N 7.27 0.00 -5.15 2.72 5.08 -1.95 -3.39 114.58 119.17 2j6i h GLU 213 Ca -0.31 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.43 2j6i h GLU 213 Cb 1.19 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 2j6i h GLU 213 CO 0.55 0.34 -0.52 1.21 -1.00 0.00 0.00 179.01 179.59 2j6i s ASN 214 N -6.02 6.00 0.21 1.42 3.84 -1.26 -4.99 114.94 114.15 2j6i s ASN 214 Ca 0.00 0.11 0.02 0.00 0.21 0.00 0.00 52.86 53.20 2j6i s ASN 214 Cb 0.08 -2.07 0.16 0.00 -0.55 0.00 0.00 41.25 38.87 2j6i s ASN 214 CO 0.78 0.10 1.51 -0.29 -2.79 0.00 0.00 177.10 176.41 2j6i h ILE 215 N 4.96 1.38 -0.50 -5.21 2.10 -1.99 -0.09 117.51 118.16 2j6i h ILE 215 Ca -0.38 -2.03 -0.09 0.00 1.08 0.00 0.00 64.86 63.44 2j6i h ILE 215 Cb 1.17 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 38.90 2j6i h ILE 215 CO 0.68 0.61 -0.04 -0.33 -1.08 0.00 0.00 178.15 177.99 2j6i h GLU 216 N 0.24 0.86 -0.58 2.19 5.08 -1.96 -1.40 114.58 119.01 2j6i h GLU 216 Ca -0.01 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 2j6i h GLU 216 Cb 1.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2j6i h GLU 216 CO 0.11 0.89 0.02 1.49 -1.00 0.00 0.00 179.01 180.52 2j6i h GLU 217 N 0.79 1.01 0.29 2.33 4.81 -1.87 -0.50 114.58 121.44 2j6i h GLU 217 Ca 0.14 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2j6i h GLU 217 Cb 0.53 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2j6i h GLU 217 CO 0.03 0.99 -0.27 1.25 -0.73 0.00 0.00 179.01 180.28 2j6i h LEU 218 N 0.90 -0.72 -0.67 1.64 5.85 -0.76 -3.21 115.31 118.35 2j6i h LEU 218 Ca 0.17 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 2j6i h LEU 218 Cb 0.52 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2j6i h LEU 218 CO 0.03 -0.40 -0.62 -0.37 -0.34 0.00 0.00 178.44 176.75 2j6i h VAL 219 N -0.59 1.40 0.00 1.05 -1.51 -1.19 -3.10 116.25 112.32 2j6i h VAL 219 Ca -0.01 -2.03 -0.03 0.00 -1.23 0.00 0.00 66.70 63.40 2j6i h VAL 219 Cb 0.53 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.73 2j6i h VAL 219 CO -0.04 0.59 -0.13 0.00 -1.23 0.00 0.00 177.57 176.76 2j6i h ALA 220 N 1.23 1.27 -0.02 5.19 0.00 -1.06 -2.77 119.26 123.10 2j6i h ALA 220 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2j6i h ALA 220 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2j6i h ALA 220 CO 0.09 0.17 -0.11 0.00 0.00 0.00 0.00 179.25 179.40 2j6i n GLN 221 N -3.64 1.57 -3.55 0.00 10.64 -1.20 -3.99 117.38 117.20 2j6i n GLN 221 Ca -0.02 -1.37 -0.37 0.00 -1.83 0.00 0.00 57.00 53.41 2j6i n GLN 221 Cb 0.26 -1.34 -0.06 0.00 -0.86 0.00 0.00 30.24 28.23 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 -1.68 3.66 0.09 2.61 0.00 -1.05 -4.77 121.76 120.62 2j6i s ALA 222 Ca 0.19 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 2j6i s ALA 222 Cb 0.15 -2.36 -0.26 0.00 0.00 0.00 0.00 23.12 20.66 2j6i s ALA 222 CO 0.29 0.31 1.19 -0.44 0.00 0.00 0.00 175.76 177.12 2j6i h ASP 223 N 5.66 0.27 -3.45 0.00 3.32 -0.81 -3.38 116.42 118.03 2j6i h ASP 223 Ca -0.47 -0.28 -0.44 0.00 0.02 0.00 0.00 57.03 55.86 2j6i h ASP 223 Cb 1.20 -0.09 -0.34 0.00 0.22 0.00 0.00 39.33 40.32 2j6i h ASP 223 CO 0.67 1.22 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.01 2j6i s ILE 224 N -2.68 0.68 -0.07 0.35 1.01 -0.76 -1.63 121.20 118.11 2j6i s ILE 224 Ca -0.02 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.47 2j6i s ILE 224 Cb 0.08 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 2j6i s ILE 224 CO 0.86 0.26 -0.23 -0.69 0.00 0.00 0.00 174.94 175.14 2j6i s VAL 225 N 0.87 2.24 -0.07 2.92 1.01 -0.32 -0.76 120.40 126.30 2j6i s VAL 225 Ca -0.12 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2j6i s VAL 225 Cb -0.15 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2j6i s VAL 225 CO 0.01 0.57 -0.16 0.28 0.00 0.00 0.00 175.10 175.80 2j6i s THR 226 N -0.14 1.39 -0.33 3.92 -1.32 0.10 -0.70 115.64 118.56 2j6i s THR 226 Ca -0.04 -0.64 -0.18 0.00 -1.21 0.00 0.00 61.69 59.62 2j6i s THR 226 Cb -0.14 -1.23 -0.01 0.00 -1.51 0.00 0.00 72.50 69.61 2j6i s THR 226 CO 0.04 0.41 0.54 -0.69 -2.21 0.00 0.00 174.62 172.70 2j6i s VAL 227 N 0.47 5.00 -0.35 5.08 1.01 0.10 -0.55 120.40 131.18 2j6i s VAL 227 Ca -0.13 0.51 0.15 0.00 0.00 0.00 0.00 61.98 62.51 2j6i s VAL 227 Cb -0.15 -3.95 0.41 0.00 0.00 0.00 0.00 36.38 32.68 2j6i s VAL 227 CO 0.05 -0.16 0.88 0.59 0.00 0.00 0.00 175.10 176.45 2j6i n ASN 228 N 5.75 0.98 -4.33 3.32 3.02 0.65 -3.65 115.26 121.00 2j6i n ASN 228 Ca -0.04 -2.85 -0.25 0.00 -0.03 0.00 0.00 54.58 51.42 2j6i n ASN 228 Cb 0.49 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 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 -2.64 2.04 0.54 5.41 0.00 -1.09 -4.29 121.76 121.74 2j6i s ALA 229 Ca 0.32 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 2j6i s ALA 229 Cb 0.41 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2j6i s ALA 229 CO -0.01 0.39 1.19 -1.25 0.00 0.00 0.00 175.76 176.08 2j6i s PRO 230 N -2.17 3.28 -0.32 0.00 0.04 -1.26 -4.63 135.00 129.95 2j6i s PRO 230 Ca 0.11 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 2j6i s PRO 230 Cb -0.09 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2j6i s PRO 230 CO 0.06 -0.95 0.92 -1.17 0.04 0.00 0.00 177.00 175.90 2j6i s LEU 231 N -3.69 4.02 0.00 -3.56 2.96 -1.26 -4.77 118.68 112.38 2j6i s LEU 231 Ca 0.72 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 55.40 2j6i s LEU 231 Cb -0.29 -3.28 0.02 0.00 0.50 0.00 0.00 46.19 43.13 2j6i s LEU 231 CO 0.33 -0.75 0.55 0.00 -1.32 0.00 0.00 176.35 175.16 2j6i n HIS 232 N 6.54 -1.62 -0.34 5.38 1.44 -1.26 -5.01 115.22 120.35 2j6i n HIS 232 Ca 0.07 -2.34 0.14 0.00 -2.01 0.00 0.00 57.72 53.59 2j6i n HIS 232 Cb 0.48 0.62 0.28 0.00 0.12 0.00 0.00 29.99 31.49 2j6i n HIS 232 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2j6i n ALA 233 N -0.62 0.49 0.34 1.59 0.00 -1.26 -0.75 120.51 120.30 2j6i n ALA 233 Ca -0.14 1.05 0.13 0.00 0.00 0.00 0.00 53.44 54.48 2j6i n ALA 233 Cb 0.60 -0.76 0.30 0.00 0.00 0.00 0.00 19.45 19.59 2j6i n ALA 233 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2j6i h GLY 234 N 0.00 0.00 -0.64 0.00 0.00 -1.96 -3.23 103.07 97.24 2j6i h GLY 234 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2j6i h GLY 234 CO -0.93 0.00 -0.25 -1.30 0.00 0.00 0.00 176.54 174.06 2j6i n THR 235 N -2.85 0.00 -1.68 4.70 -2.24 0.07 -4.78 114.28 107.51 2j6i n THR 235 Ca 0.04 -0.37 -0.47 0.00 -2.27 0.00 0.00 64.05 60.98 2j6i n THR 235 Cb 0.47 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 2j6i n THR 235 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2j6i n LYS 236 N -0.11 2.32 -2.21 -0.78 5.02 -0.56 -1.96 118.16 119.88 2j6i n LYS 236 Ca 0.06 0.85 -0.20 0.00 -2.02 0.00 0.00 58.31 56.99 2j6i n LYS 236 Cb 0.28 -2.71 -0.03 0.00 -0.02 0.00 0.00 35.03 32.55 2j6i n LYS 236 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j6i n GLY 237 N 4.33 0.08 0.24 0.72 0.00 -0.13 -4.86 105.19 105.59 2j6i n GLY 237 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.36 -7.89 0.99 5.85 -0.19 -3.21 115.31 111.22 2j6i h LEU 238 Ca -0.47 0.06 -0.68 0.00 0.84 0.00 0.00 57.88 57.62 2j6i h LEU 238 Cb 1.36 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.26 2j6i h LEU 238 CO 0.58 0.22 1.54 -0.63 -0.34 0.00 0.00 178.44 179.81 2j6i s ILE 239 N -6.09 4.48 0.49 4.05 -1.09 -0.34 -4.70 121.20 118.01 2j6i s ILE 239 Ca -0.13 -1.86 0.03 0.00 -2.23 0.00 0.00 60.65 56.47 2j6i s ILE 239 Cb 0.17 -5.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.03 2j6i s ILE 239 CO 0.75 -1.78 0.10 0.54 -1.23 0.00 0.00 174.94 173.31 2j6i s ASN 240 N 3.82 4.22 0.35 3.58 2.20 -1.21 -0.40 114.94 127.50 2j6i s ASN 240 Ca 0.45 -1.49 0.05 0.00 -0.94 0.00 0.00 52.86 50.94 2j6i s ASN 240 Cb -0.01 0.29 0.71 0.00 -2.00 0.00 0.00 41.25 40.24 2j6i s ASN 240 CO -0.01 -0.82 1.93 0.07 -2.94 0.00 0.00 177.10 175.33 2j6i h LYS 241 N 1.30 0.78 0.12 3.55 2.10 -1.91 0.19 116.57 122.70 2j6i h LYS 241 Ca -0.42 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2j6i h LYS 241 Cb 1.30 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2j6i h LYS 241 CO 0.71 0.52 -0.06 0.93 -2.00 0.00 0.00 179.45 179.55 2j6i h GLU 242 N 0.80 -0.16 -0.70 0.07 3.07 -1.96 -0.35 114.58 115.34 2j6i h GLU 242 Ca 0.35 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 2j6i h GLU 242 Cb 0.33 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 2j6i h GLU 242 CO -0.13 0.09 0.24 1.25 -1.40 0.00 0.00 179.01 179.06 2j6i h LEU 243 N -0.40 1.01 -1.23 1.33 5.85 -1.72 -2.76 115.31 117.39 2j6i h LEU 243 Ca -0.02 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2j6i h LEU 243 Cb 0.33 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2j6i h LEU 243 CO 0.03 0.94 0.54 -0.07 -0.34 0.00 0.00 178.44 179.54 2j6i h LEU 244 N 1.03 0.83 -2.01 2.25 3.38 -0.57 0.13 115.31 120.36 2j6i h LEU 244 Ca 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2j6i h LEU 244 Cb 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2j6i h LEU 244 CO -0.01 0.55 0.06 0.77 0.09 0.00 0.00 178.44 179.90 2j6i h SER 245 N 0.96 0.00 0.56 -0.43 4.64 -0.75 -1.00 113.55 117.52 2j6i h SER 245 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2j6i h SER 245 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2j6i h SER 245 CO -0.11 0.00 -1.14 0.29 -0.87 0.00 0.00 176.83 175.00 2j6i n LYS 246 N -2.60 0.43 -1.30 4.77 4.76 0.02 -4.93 118.16 119.31 2j6i n LYS 246 Ca -0.02 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.08 2j6i n LYS 246 Cb 0.10 -1.66 0.11 0.00 -1.84 0.00 0.00 35.03 31.74 2j6i n LYS 246 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2j6i n PHE 247 N -2.22 1.25 -1.73 2.13 3.01 -0.38 -3.25 117.46 116.27 2j6i n PHE 247 Ca 0.01 0.40 -0.42 0.00 1.01 0.00 0.00 57.45 58.45 2j6i n PHE 247 Cb 0.49 -2.13 -0.02 0.00 -0.01 0.00 0.00 39.48 37.81 2j6i n PHE 247 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2j6i n LYS 248 N -2.63 2.59 -1.72 -1.08 5.02 -1.22 -4.88 118.16 114.25 2j6i n LYS 248 Ca 0.14 0.92 -0.43 0.00 -2.02 0.00 0.00 58.31 56.92 2j6i n LYS 248 Cb 0.50 -2.68 -0.02 0.00 -0.02 0.00 0.00 35.03 32.80 2j6i n LYS 248 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2j6i n LYS 249 N 2.19 2.57 -0.97 1.97 5.02 -1.26 -2.32 118.16 125.35 2j6i n LYS 249 Ca 0.09 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2j6i n LYS 249 Cb 0.36 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 2j6i n LYS 249 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j6i n GLY 250 N 2.73 0.43 3.76 0.72 0.00 -0.73 -4.98 105.19 107.12 2j6i n GLY 250 Ca 0.12 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 2.19 -0.10 4.61 0.00 -0.98 -3.73 121.76 121.76 2j6i s ALA 251 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 2j6i s ALA 251 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2j6i s ALA 251 CO 0.00 -1.82 -0.03 -1.58 0.00 0.00 0.00 175.76 172.33 2j6i s TRP 252 N -2.79 3.07 -0.07 0.00 0.51 -0.65 0.32 118.94 119.34 2j6i s TRP 252 Ca 0.63 0.04 0.03 0.00 -2.12 0.00 0.00 56.10 54.68 2j6i s TRP 252 Cb -0.18 -1.81 0.01 0.00 -0.81 0.00 0.00 33.47 30.67 2j6i s TRP 252 CO 0.54 0.32 -0.15 -1.17 -0.51 0.00 0.00 176.95 175.98 2j6i s LEU 253 N -0.57 1.78 -0.03 2.99 2.96 -0.27 -1.17 118.68 124.37 2j6i s LEU 253 Ca 0.09 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2j6i s LEU 253 Cb -0.12 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 2j6i s LEU 253 CO 0.02 0.08 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.25 2j6i s VAL 254 N 0.47 1.53 -0.22 1.68 1.01 0.12 -1.38 120.40 123.62 2j6i s VAL 254 Ca -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2j6i s VAL 254 Cb -0.15 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.00 2j6i s VAL 254 CO 0.04 0.44 0.09 0.21 0.00 0.00 0.00 175.10 175.88 2j6i s ASN 255 N -0.16 2.91 -0.06 3.32 2.47 -0.25 -0.72 114.94 122.45 2j6i s ASN 255 Ca 0.00 -0.92 0.12 0.00 0.42 0.00 0.00 52.86 52.48 2j6i s ASN 255 Cb -0.10 -0.37 0.35 0.00 -1.45 0.00 0.00 41.25 39.68 2j6i s ASN 255 CO 0.01 -0.38 1.28 0.35 -3.72 0.00 0.00 177.10 174.65 2j6i n THR 256 N 5.21 1.45 0.00 -5.21 -2.24 -1.24 -3.30 114.28 108.95 2j6i n THR 256 Ca -0.07 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 2j6i n THR 256 Cb 0.46 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.02 0.00 -2.81 6.98 0.00 -1.24 -4.81 120.51 118.64 2j6i n ALA 257 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 2j6i n ALA 257 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 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 0.26 0.38 0.00 1.81 -1.26 -4.95 118.95 115.20 2j6i s ARG 258 Ca 0.00 -0.16 0.09 0.00 -1.72 0.00 0.00 55.73 53.94 2j6i s ARG 258 Cb 0.00 -0.23 0.86 0.00 -0.45 0.00 0.00 34.95 35.13 2j6i s ARG 258 CO 0.00 0.06 1.94 0.78 -0.68 0.00 0.00 175.30 177.40 2j6i h GLY 259 N 5.94 0.90 1.95 -3.53 0.00 -1.73 -2.16 103.07 104.44 2j6i h GLY 259 Ca -0.27 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2j6i h GLY 259 CO 0.50 0.15 0.00 0.00 0.00 0.00 0.00 176.54 177.19 2j6i n ALA 260 N -2.47 1.79 0.28 3.60 0.00 -1.26 -1.49 120.51 120.96 2j6i n ALA 260 Ca 0.12 -0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.67 2j6i n ALA 260 Cb 0.34 -1.27 0.72 0.00 0.00 0.00 0.00 19.45 19.24 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 0.07 -2.72 0.00 2.04 -1.59 -0.32 117.51 114.99 2j6i h ILE 261 Ca 0.00 -0.52 -0.54 0.00 1.00 0.00 0.00 64.86 64.80 2j6i h ILE 261 Cb 0.28 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2j6i h ILE 261 CO 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 178.15 177.79 2j6i s VAL 263 N -1.83 4.94 0.11 0.00 1.01 0.46 -4.43 120.40 120.67 2j6i s VAL 263 Ca 0.37 0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 2j6i s VAL 263 Cb -0.11 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2j6i s VAL 263 CO 0.29 -0.34 1.69 0.00 0.00 0.00 0.00 175.10 176.74 2j6i h ALA 264 N 8.56 -0.15 0.00 5.51 0.00 -1.89 -1.43 119.26 129.86 2j6i h ALA 264 Ca -0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2j6i h ALA 264 Cb 1.11 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2j6i h ALA 264 CO 0.82 -0.61 -0.09 0.93 0.00 0.00 0.00 179.25 180.29 2j6i h GLU 265 N -0.21 0.00 -0.17 0.00 4.39 -1.97 -1.89 114.58 114.73 2j6i h GLU 265 Ca 0.03 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 2j6i h GLU 265 Cb 0.24 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2j6i h GLU 265 CO -0.09 0.09 -0.56 -0.44 -1.16 0.00 0.00 179.01 176.85 2j6i h ASP 266 N 0.00 0.78 0.02 1.42 3.32 -1.64 -0.92 116.42 119.40 2j6i h ASP 266 Ca -0.00 -0.60 -0.00 0.00 0.02 0.00 0.00 57.03 56.45 2j6i h ASP 266 Cb 0.47 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2j6i h ASP 266 CO 0.01 1.25 -0.01 0.58 -1.72 0.00 0.00 179.24 179.35 2j6i h VAL 267 N 0.36 0.99 -0.57 -1.35 2.07 -0.97 -0.21 116.25 116.56 2j6i h VAL 267 Ca -0.02 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2j6i h VAL 267 Cb 1.19 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 2j6i h VAL 267 CO 0.12 0.01 0.28 0.00 0.02 0.00 0.00 177.57 178.00 2j6i h ALA 268 N 0.93 0.74 -0.69 1.67 0.00 -1.35 -0.68 119.26 119.88 2j6i h ALA 268 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2j6i h ALA 268 Cb 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2j6i h ALA 268 CO 0.00 -0.07 0.34 0.00 0.00 0.00 0.00 179.25 179.52 2j6i h ALA 269 N 1.32 0.89 -0.68 0.00 0.00 -1.02 -0.79 119.26 118.98 2j6i h ALA 269 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2j6i h ALA 269 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2j6i h ALA 269 CO -0.19 0.44 0.45 0.00 0.00 0.00 0.00 179.25 179.95 2j6i h ALA 270 N 1.16 0.87 -0.64 0.00 0.00 -0.47 -0.14 119.26 120.03 2j6i h ALA 270 Ca 0.24 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2j6i h ALA 270 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2j6i h ALA 270 CO -0.03 0.29 0.05 1.25 0.00 0.00 0.00 179.25 180.81 2j6i h LEU 271 N 0.93 1.07 -0.77 0.00 5.85 -0.81 -0.74 115.31 120.84 2j6i h LEU 271 Ca 0.25 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2j6i h LEU 271 Cb -0.11 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.61 2j6i h LEU 271 CO -0.05 1.09 0.14 -0.08 -0.34 0.00 0.00 178.44 179.20 2j6i h GLU 272 N 1.01 1.07 0.00 1.25 4.57 -0.83 -3.00 114.58 118.65 2j6i h GLU 272 Ca 0.19 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2j6i h GLU 272 Cb 0.51 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2j6i h GLU 272 CO 0.02 0.96 -0.20 -1.13 -1.18 0.00 0.00 179.01 177.49 2j6i n SER 273 N -4.23 0.65 0.00 1.04 3.41 -0.09 -4.52 113.62 109.88 2j6i n SER 273 Ca 0.05 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2j6i n SER 273 Cb 0.27 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.36 0.85 0.36 5.00 0.00 -0.64 -4.92 105.19 107.20 2j6i n GLY 274 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 3.89 0.76 -6.36 1.61 5.75 -1.45 -1.94 115.11 117.37 2j6i h GLN 275 Ca 0.00 -0.05 -0.68 0.00 -0.15 0.00 0.00 58.65 57.77 2j6i h GLN 275 Cb 0.00 -0.17 -0.19 0.00 1.07 0.00 0.00 27.48 28.19 2j6i h GLN 275 CO 0.00 0.50 -0.74 -0.51 -2.65 0.00 0.00 178.83 175.43 2j6i s LEU 276 N -9.78 2.97 0.12 -2.39 1.43 -0.69 -1.93 118.68 108.41 2j6i s LEU 276 Ca -0.10 -0.21 0.15 0.00 -1.03 0.00 0.00 54.13 52.93 2j6i s LEU 276 Cb 0.20 -1.70 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 2j6i s LEU 276 CO 0.78 0.29 1.04 -0.09 0.23 0.00 0.00 176.35 178.60 2j6i h ARG 277 N 4.68 0.00 -1.78 1.70 2.43 -0.22 -3.39 114.38 117.80 2j6i h ARG 277 Ca -0.48 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2j6i h ARG 277 Cb 1.16 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.50 2j6i h ARG 277 CO 0.52 0.46 0.37 0.20 -1.51 0.00 0.00 179.97 180.01 2j6i s GLY 278 N -4.72 -0.42 -0.00 2.80 0.00 -1.19 -4.31 107.32 99.47 2j6i s GLY 278 Ca -0.01 1.69 0.01 0.00 0.00 0.00 0.00 44.72 46.42 2j6i s GLY 278 CO 0.80 1.00 -0.04 -0.47 0.00 0.00 0.00 173.10 174.39 2j6i s TYR 279 N -1.13 0.37 0.34 1.90 5.04 0.34 -1.11 117.35 123.10 2j6i s TYR 279 Ca -0.06 -0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.31 2j6i s TYR 279 Cb -0.00 -0.24 0.04 0.00 0.35 0.00 0.00 41.96 42.11 2j6i s TYR 279 CO 0.06 -0.01 0.76 0.20 -1.34 0.00 0.00 175.55 175.22 2j6i s GLY 280 N -0.12 0.17 0.00 8.97 0.00 -0.48 -1.66 107.32 114.21 2j6i s GLY 280 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2j6i s GLY 280 CO -0.00 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.49 2j6i n GLY 281 N -0.50 1.16 0.03 0.20 0.00 -1.23 -1.08 105.19 103.76 2j6i n GLY 281 Ca -0.06 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 1.47 -4.51 1.61 5.75 -1.21 -1.73 116.55 117.94 2j6i n ASP 282 Ca 0.00 -1.89 -0.32 0.00 -0.01 0.00 0.00 54.79 52.57 2j6i n ASP 282 Cb 0.00 -0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 39.91 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 -0.94 3.20 0.09 2.12 -7.23 -1.25 -2.39 120.40 114.00 2j6i s VAL 283 Ca 0.04 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2j6i s VAL 283 Cb 0.03 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2j6i s VAL 283 CO 0.00 0.49 -0.06 0.26 -0.31 0.00 0.00 175.10 175.49 2j6i s TRP 284 N -0.84 0.82 -0.04 2.82 0.52 -1.26 -4.21 118.94 116.75 2j6i s TRP 284 Ca 0.13 -0.95 -0.01 0.00 0.02 0.00 0.00 56.10 55.29 2j6i s TRP 284 Cb -0.11 -0.49 0.03 0.00 -1.15 0.00 0.00 33.47 31.75 2j6i s TRP 284 CO 0.03 -0.20 0.07 0.12 0.02 0.00 0.00 176.95 176.99 2j6i s PHE 285 N -3.69 -0.02 1.12 -1.98 5.36 -1.26 -4.00 117.98 113.51 2j6i s PHE 285 Ca 0.11 0.25 -0.14 0.00 -0.96 0.00 0.00 56.93 56.19 2j6i s PHE 285 Cb 0.06 -0.25 0.25 0.00 -0.34 0.00 0.00 43.02 42.74 2j6i s PHE 285 CO -0.06 -0.13 1.06 -2.14 -1.46 0.00 0.00 175.22 172.49 2j6i s PRO 286 N 1.36 -0.56 -0.03 10.12 0.02 -1.26 -4.96 135.00 139.69 2j6i s PRO 286 Ca -0.06 0.50 -0.01 0.00 0.02 0.00 0.00 61.00 61.46 2j6i s PRO 286 Cb -0.12 -1.62 0.03 0.00 0.02 0.00 0.00 34.50 32.80 2j6i s PRO 286 CO -0.04 -3.39 0.07 -1.14 -0.33 0.00 0.00 177.00 172.17 2j6i s GLN 287 N -4.84 0.00 0.61 5.54 0.74 -1.26 -3.31 119.66 117.14 2j6i s GLN 287 Ca 0.67 0.25 -0.18 0.00 0.05 0.00 0.00 55.36 56.15 2j6i s GLN 287 Cb -0.20 -0.23 -0.05 0.00 1.10 0.00 0.00 33.01 33.63 2j6i s GLN 287 CO 0.60 -0.17 0.95 -2.30 -0.55 0.00 0.00 175.29 173.82 2j6i n PRO 288 N 4.23 0.86 -1.92 1.67 -0.02 -1.26 -5.07 135.00 133.48 2j6i n PRO 288 Ca -0.27 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 2j6i n PRO 288 Cb 0.50 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.53 3.71 0.78 3.55 0.00 -1.21 -4.98 121.76 122.08 2j6i s ALA 289 Ca 0.76 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.84 2j6i s ALA 289 Cb -0.41 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.06 2j6i s ALA 289 CO 0.47 -1.02 0.97 -2.30 0.00 0.00 0.00 175.76 173.88 2j6i n PRO 290 N 5.16 0.28 0.29 0.00 -0.02 -1.26 -4.88 135.00 134.57 2j6i n PRO 290 Ca 0.15 0.16 0.16 0.00 -2.02 0.00 0.00 63.50 61.96 2j6i n PRO 290 Cb 0.40 -2.24 0.86 0.00 -0.02 0.00 0.00 33.50 32.50 2j6i n PRO 290 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2j6i h LYS 291 N -0.65 0.00 -0.60 -0.52 1.57 -2.02 -1.31 116.57 113.05 2j6i h LYS 291 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2j6i h LYS 291 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2j6i h LYS 291 CO 0.45 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 178.99 2j6i n ASP 292 N -3.41 3.77 -4.63 0.86 5.75 -1.26 -4.98 116.55 112.65 2j6i n ASP 292 Ca -0.02 -2.09 -0.49 0.00 -0.01 0.00 0.00 54.79 52.18 2j6i n ASP 292 Cb 0.20 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 39.81 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 1.18 1.91 0.19 2.11 -0.00 -0.50 -4.84 115.22 115.28 2j6i n HIS 293 Ca 0.21 0.45 0.15 0.00 0.46 0.00 0.00 57.72 58.99 2j6i n HIS 293 Cb 0.61 -2.44 0.78 0.00 -0.12 0.00 0.00 29.99 28.82 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 5.25 0.00 0.00 1.57 0.13 -1.94 -2.35 132.00 134.66 2j6i h PRO 294 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2j6i h PRO 294 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2j6i h PRO 294 CO 0.83 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.51 2j6i n TRP 295 N -4.07 0.31 -0.03 1.56 8.01 -1.26 -2.08 117.44 119.88 2j6i n TRP 295 Ca 0.01 0.12 -0.13 0.00 -1.31 0.00 0.00 57.50 56.19 2j6i n TRP 295 Cb 0.29 -0.69 -0.10 0.00 -2.01 0.00 0.00 31.31 28.79 2j6i n TRP 295 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2j6i h ARG 296 N 0.00 0.07 0.00 -0.99 3.08 -1.79 -3.37 114.38 111.38 2j6i h ARG 296 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2j6i h ARG 296 Cb 0.32 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2j6i h ARG 296 CO 0.00 0.66 -1.09 -0.25 -1.07 0.00 0.00 179.97 178.22 2j6i n ASP 297 N -4.73 0.78 -4.78 7.04 8.00 -1.16 -4.96 116.55 116.74 2j6i n ASP 297 Ca -0.09 -0.71 -0.41 0.00 0.71 0.00 0.00 54.79 54.30 2j6i n ASP 297 Cb 0.33 1.04 0.01 0.00 -0.02 0.00 0.00 41.12 42.47 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 -3.09 3.97 0.08 -1.24 0.23 -0.88 -5.01 119.30 113.35 2j6i s MET 298 Ca 0.06 2.53 -0.06 0.00 -1.03 0.00 0.00 55.69 57.19 2j6i s MET 298 Cb 0.16 -2.87 -0.02 0.00 -1.53 0.00 0.00 34.83 30.58 2j6i s MET 298 CO 0.85 -0.63 0.12 1.03 -2.03 0.00 0.00 175.02 174.35 2j6i s ARG 299 N -2.22 0.78 0.58 3.16 1.81 -1.26 -4.67 118.95 117.14 2j6i s ARG 299 Ca 0.55 -1.07 -0.10 0.00 -1.72 0.00 0.00 55.73 53.40 2j6i s ARG 299 Cb -0.46 0.30 0.13 0.00 -0.45 0.00 0.00 34.95 34.47 2j6i s ARG 299 CO 0.61 -0.22 0.75 0.27 -0.68 0.00 0.00 175.30 176.03 2j6i n ASN 300 N -0.01 -0.13 0.11 0.23 0.23 0.42 -3.83 115.26 112.28 2j6i n ASN 300 Ca -0.14 -1.23 0.11 0.00 -0.53 0.00 0.00 54.58 52.78 2j6i n ASN 300 Cb 0.62 -0.59 0.47 0.00 -2.08 0.00 0.00 39.78 38.20 2j6i n ASN 300 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2j6i n LYS 301 N -2.71 0.16 -0.12 -3.83 2.85 -1.26 -0.80 118.16 112.45 2j6i n LYS 301 Ca 0.10 0.42 0.12 0.00 -1.05 0.00 0.00 58.31 57.90 2j6i n LYS 301 Cb 0.33 -1.83 0.21 0.00 -0.65 0.00 0.00 35.03 33.10 2j6i n LYS 301 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2j6i n TYR 302 N -2.13 0.31 -1.20 5.58 0.53 -1.26 -4.95 117.16 114.05 2j6i n TYR 302 Ca 0.02 -0.16 -0.02 0.00 -1.02 0.00 0.00 57.90 56.72 2j6i n TYR 302 Cb 0.20 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.50 2j6i n TYR 302 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2j6i n GLY 303 N 1.41 0.52 0.00 2.72 0.00 0.02 -5.01 105.19 104.86 2j6i n GLY 303 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.76 0.00 -1.19 4.61 0.00 -1.26 -4.83 120.51 118.60 2j6i n ALA 304 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 2j6i n ALA 304 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 2.20 0.87 3.10 0.00 0.00 -1.26 -0.44 105.19 109.66 2j6i n GLY 305 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.69 3.60 -0.18 1.61 3.84 -1.26 -0.50 114.94 119.36 2j6i s ASN 306 Ca 0.00 -0.92 0.14 0.00 0.21 0.00 0.00 52.86 52.29 2j6i s ASN 306 Cb 0.00 -1.50 0.43 0.00 -0.55 0.00 0.00 41.25 39.63 2j6i s ASN 306 CO 0.00 -0.07 1.20 0.00 -2.79 0.00 0.00 177.10 175.44 2j6i n ALA 307 N 4.55 3.57 -1.76 1.71 0.00 -0.66 -4.94 120.51 122.98 2j6i n ALA 307 Ca -0.18 -3.18 -0.38 0.00 0.00 0.00 0.00 53.44 49.70 2j6i n ALA 307 Cb 0.47 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.72 3.52 0.19 0.00 -1.94 -1.26 -3.57 119.30 113.53 2j6i s MET 308 Ca 0.39 2.07 0.01 0.00 -1.71 0.00 0.00 55.69 56.45 2j6i s MET 308 Cb 0.38 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.76 2j6i s MET 308 CO -0.07 -0.83 0.04 0.95 -0.01 0.00 0.00 175.02 175.10 2j6i s THR 309 N -1.37 0.55 1.11 2.05 -4.23 -0.70 -4.94 115.64 108.10 2j6i s THR 309 Ca 0.66 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 2j6i s THR 309 Cb -0.36 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 71.46 2j6i s THR 309 CO 0.44 -0.32 1.05 -2.84 -0.54 0.00 0.00 174.62 172.41 2j6i s PRO 310 N -3.97 -0.46 -0.81 3.99 0.02 -1.26 -4.34 135.00 128.16 2j6i s PRO 310 Ca 0.28 0.69 -0.25 0.00 0.02 0.00 0.00 61.00 61.74 2j6i s PRO 310 Cb 0.07 -1.62 -0.02 0.00 0.02 0.00 0.00 34.50 32.95 2j6i s PRO 310 CO 0.07 -3.38 1.77 -1.58 -0.33 0.00 0.00 177.00 173.55 2j6i s HIS 311 N -2.66 1.92 0.00 6.54 2.46 -1.01 -4.55 115.29 118.00 2j6i s HIS 311 Ca 0.67 0.38 0.00 0.00 0.47 0.00 0.00 55.06 56.58 2j6i s HIS 311 Cb -0.22 -4.22 0.00 0.00 -0.13 0.00 0.00 32.58 28.00 2j6i s HIS 311 CO 0.62 -1.99 0.00 2.48 -2.47 0.00 0.00 174.74 173.38 2j6i n TYR 312 N 12.29 0.00 -0.35 3.88 4.11 -1.26 -4.93 117.16 130.90 2j6i n TYR 312 Ca 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 58.15 2j6i n TYR 312 Cb 0.49 0.01 0.09 0.00 -0.00 0.00 0.00 39.34 39.94 2j6i n TYR 312 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2j6i h SER 313 N 0.00 1.10 -0.23 9.48 4.64 -1.92 0.06 113.55 126.68 2j6i h SER 313 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2j6i h SER 313 Cb 0.36 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2j6i h SER 313 CO 0.00 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 2j6i n GLY 314 N -1.27 0.84 0.36 -0.77 0.00 -1.26 -3.92 105.19 99.17 2j6i n GLY 314 Ca 0.10 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2j6i n GLY 314 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2j6i n THR 315 N 0.23 2.06 -0.69 2.61 5.66 0.01 -4.67 114.28 119.50 2j6i n THR 315 Ca 0.09 -2.72 -0.31 0.00 -3.05 0.00 0.00 64.05 58.06 2j6i n THR 315 Cb 0.34 -0.24 0.16 0.00 -1.55 0.00 0.00 70.33 69.04 2j6i n THR 315 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2j6i n THR 316 N -1.27 0.00 0.05 1.09 -2.24 -1.25 -4.69 114.28 105.98 2j6i n THR 316 Ca 0.18 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 2j6i n THR 316 Cb 0.68 -0.93 0.51 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.86 0.30 -0.32 3.22 3.38 -1.97 -0.52 115.31 117.54 2j6i h LEU 317 Ca -0.43 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 2j6i h LEU 317 Cb 1.27 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2j6i h LEU 317 CO 0.40 0.21 -0.19 0.44 0.09 0.00 0.00 178.44 179.39 2j6i h ASP 318 N 0.35 0.73 -0.55 -0.43 3.32 -1.92 -2.02 116.42 115.90 2j6i h ASP 318 Ca 0.15 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2j6i h ASP 318 Cb 0.16 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2j6i h ASP 318 CO -0.03 0.99 0.30 0.00 -1.72 0.00 0.00 179.24 178.78 2j6i h ALA 319 N 0.76 0.70 -0.64 3.45 0.00 -1.69 -2.87 119.26 118.98 2j6i h ALA 319 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2j6i h ALA 319 Cb 0.73 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2j6i h ALA 319 CO 0.05 0.22 0.29 1.96 0.00 0.00 0.00 179.25 181.77 2j6i h GLN 320 N 0.73 0.91 -0.51 0.00 4.20 -0.99 0.31 115.11 119.76 2j6i h GLN 320 Ca 0.19 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2j6i h GLN 320 Cb 0.04 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2j6i h GLN 320 CO -0.03 0.72 0.31 1.15 -0.67 0.00 0.00 178.83 180.30 2j6i h THR 321 N 0.91 1.16 -0.62 -0.54 2.02 -1.32 -0.62 112.91 113.89 2j6i h THR 321 Ca 0.22 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2j6i h THR 321 Cb 0.12 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2j6i h THR 321 CO -0.03 0.16 0.25 0.03 0.37 0.00 0.00 175.52 176.31 2j6i h ARG 322 N 0.69 0.91 -0.38 6.66 3.08 -1.04 -1.50 114.38 122.80 2j6i h ARG 322 Ca 0.18 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2j6i h ARG 322 Cb -0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2j6i h ARG 322 CO -0.03 0.74 0.09 1.88 -1.07 0.00 0.00 179.97 181.58 2j6i h TYR 323 N 0.90 0.64 -0.24 3.04 0.99 -0.66 -0.66 116.97 120.97 2j6i h TYR 323 Ca 0.21 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 2j6i h TYR 323 Cb 0.17 -0.18 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 2j6i h TYR 323 CO 0.01 0.62 0.08 0.00 -0.00 0.00 0.00 178.16 178.87 2j6i h ALA 324 N 0.94 0.31 -0.76 3.88 0.00 -0.85 0.38 119.26 123.16 2j6i h ALA 324 Ca 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2j6i h ALA 324 Cb 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2j6i h ALA 324 CO 0.00 -0.07 0.50 1.96 0.00 0.00 0.00 179.25 181.64 2j6i h GLN 325 N 0.22 0.96 -0.41 0.00 4.20 -1.24 -1.81 115.11 117.03 2j6i h GLN 325 Ca 0.08 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 2j6i h GLN 325 Cb 0.22 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2j6i h GLN 325 CO -0.00 0.64 -0.25 0.78 -0.67 0.00 0.00 178.83 179.32 2j6i h GLY 326 N 0.99 0.93 1.14 3.46 0.00 -0.90 -2.09 103.07 106.61 2j6i h GLY 326 Ca 0.29 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 2j6i h GLY 326 CO -0.08 0.76 0.24 -0.84 0.00 0.00 0.00 176.54 176.62 2j6i h THR 327 N 0.74 1.25 -0.35 4.70 2.02 -0.75 -1.76 112.91 118.75 2j6i h THR 327 Ca 0.09 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 2j6i h THR 327 Cb 0.80 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2j6i h THR 327 CO 0.07 0.33 0.14 0.58 0.37 0.00 0.00 175.52 177.01 2j6i h VAL 328 N 1.04 1.19 0.14 3.16 2.07 -1.11 -1.18 116.25 121.56 2j6i h VAL 328 Ca 0.23 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2j6i h VAL 328 Cb 0.26 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2j6i h VAL 328 CO -0.01 0.21 -0.21 0.78 0.02 0.00 0.00 177.57 178.36 2j6i h ASN 329 N 0.42 -0.57 -0.66 0.57 2.35 -1.17 0.12 115.58 116.65 2j6i h ASN 329 Ca 0.12 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 2j6i h ASN 329 Cb 0.19 0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 2j6i h ASN 329 CO -0.01 -0.29 0.38 0.40 -1.65 0.00 0.00 177.43 176.26 2j6i h ILE 330 N -0.41 1.01 -0.50 2.81 2.04 -1.33 -1.81 117.51 119.32 2j6i h ILE 330 Ca 0.02 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2j6i h ILE 330 Cb 0.41 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2j6i h ILE 330 CO -0.09 0.13 0.14 -0.07 0.00 0.00 0.00 178.15 178.26 2j6i h LEU 331 N 0.72 0.75 0.06 1.44 3.38 -0.70 -1.48 115.31 119.48 2j6i h LEU 331 Ca 0.28 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2j6i h LEU 331 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2j6i h LEU 331 CO -0.15 0.77 -0.15 -0.33 0.09 0.00 0.00 178.44 178.67 2j6i h GLU 332 N 0.69 -0.27 -0.92 1.13 5.08 -0.61 0.64 114.58 120.32 2j6i h GLU 332 Ca 0.16 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.70 2j6i h GLU 332 Cb 0.30 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2j6i h GLU 332 CO -0.00 -0.18 0.59 0.77 -1.00 0.00 0.00 179.01 179.19 2j6i h SER 333 N -0.28 0.64 -0.04 1.42 0.02 -0.96 -1.10 113.55 113.25 2j6i h SER 333 Ca 0.03 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2j6i h SER 333 Cb 0.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2j6i h SER 333 CO -0.10 0.30 -0.10 0.15 -1.14 0.00 0.00 176.83 175.93 2j6i h PHE 334 N 0.66 0.17 -0.78 3.45 3.57 -0.91 0.14 116.94 123.24 2j6i h PHE 334 Ca 0.48 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 2j6i h PHE 334 Cb 0.83 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2j6i h PHE 334 CO -0.00 0.72 0.32 0.74 -2.23 0.00 0.00 178.31 177.86 2j6i h PHE 335 N -0.42 1.18 0.00 0.41 0.05 0.06 -2.56 116.94 115.66 2j6i h PHE 335 Ca -0.00 -0.08 -0.05 0.00 3.82 0.00 0.00 57.97 61.65 2j6i h PHE 335 Cb 0.72 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 2j6i h PHE 335 CO 0.13 0.89 -0.26 1.79 -0.18 0.00 0.00 178.31 180.68 2j6i h THR 336 N 1.14 0.68 0.00 -1.55 1.35 -1.39 -3.47 112.91 109.67 2j6i h THR 336 Ca 0.26 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2j6i h THR 336 Cb 0.20 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2j6i h THR 336 CO -0.02 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 2j6i n GLY 337 N 0.00 0.73 0.13 5.82 0.00 -0.97 -4.92 105.19 105.99 2j6i n GLY 337 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2j6i n GLY 337 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j6i h LYS 338 N 2.47 0.27 -5.19 1.61 3.64 -1.81 -3.48 116.57 114.09 2j6i h LYS 338 Ca 0.00 -0.32 -0.40 0.00 -1.27 0.00 0.00 60.65 58.66 2j6i h LYS 338 Cb 0.00 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2j6i h LYS 338 CO 0.00 1.05 -0.61 1.19 -2.27 0.00 0.00 179.45 178.81 2j6i n PHE 339 N -3.66 -1.97 -1.19 1.91 0.99 0.48 -4.85 117.46 109.17 2j6i n PHE 339 Ca -0.05 0.57 -0.18 0.00 -0.00 0.00 0.00 57.45 57.79 2j6i n PHE 339 Cb 0.85 -3.77 -0.13 0.00 -1.00 0.00 0.00 39.48 35.43 2j6i n PHE 339 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2j6i n ASP 340 N -2.48 5.72 -4.69 4.37 5.75 -1.26 -4.95 116.55 119.00 2j6i n ASP 340 Ca -0.05 -2.76 -0.37 0.00 -0.01 0.00 0.00 54.79 51.60 2j6i n ASP 340 Cb 0.57 -1.35 0.06 0.00 -1.03 0.00 0.00 41.12 39.38 2j6i n ASP 340 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2j6i n TYR 341 N 1.87 1.58 -1.97 2.11 0.53 -1.26 -4.94 117.16 115.08 2j6i n TYR 341 Ca 0.45 0.43 -0.42 0.00 -1.02 0.00 0.00 57.90 57.34 2j6i n TYR 341 Cb 0.78 -2.23 -0.03 0.00 -1.03 0.00 0.00 39.34 36.83 2j6i n TYR 341 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2j6i s ARG 342 N -3.13 4.23 0.30 -0.72 0.52 -1.26 -4.90 118.95 113.99 2j6i s ARG 342 Ca 0.80 2.32 0.06 0.00 -0.52 0.00 0.00 55.73 58.38 2j6i s ARG 342 Cb -0.39 -3.17 0.75 0.00 0.52 0.00 0.00 34.95 32.66 2j6i s ARG 342 CO 0.43 -0.58 1.74 -1.35 0.02 0.00 0.00 175.30 175.56 2j6i h PRO 343 N 6.80 0.60 0.00 3.54 0.11 -1.98 -1.33 132.00 139.75 2j6i h PRO 343 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2j6i h PRO 343 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2j6i h PRO 343 CO 0.91 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 179.10 2j6i n GLN 344 N -4.87 0.22 0.15 1.05 0.00 -1.26 -2.50 117.38 110.16 2j6i n GLN 344 Ca 0.23 0.38 0.12 0.00 0.00 0.00 0.00 57.00 57.74 2j6i n GLN 344 Cb 0.62 -1.87 0.22 0.00 0.00 0.00 0.00 30.24 29.21 2j6i n GLN 344 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2j6i h ASP 345 N 0.00 0.00 -3.22 2.61 3.32 -1.45 -3.42 116.42 114.26 2j6i h ASP 345 Ca 0.00 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.43 2j6i h ASP 345 Cb 0.45 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 2j6i h ASP 345 CO 0.00 0.02 0.57 -0.63 -1.72 0.00 0.00 179.24 177.47 2j6i s ILE 346 N -3.19 4.79 -0.24 0.35 1.01 -1.04 -1.14 121.20 121.74 2j6i s ILE 346 Ca 0.07 1.76 -0.16 0.00 0.00 0.00 0.00 60.65 62.32 2j6i s ILE 346 Cb 0.09 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 2j6i s ILE 346 CO 0.67 -0.08 -0.31 -0.38 0.00 0.00 0.00 174.94 174.84 2j6i n ILE 347 N 5.13 1.52 -5.00 2.92 5.41 0.44 -4.95 119.36 124.83 2j6i n ILE 347 Ca 0.08 -0.19 -0.27 0.00 1.00 0.00 0.00 62.75 63.36 2j6i n ILE 347 Cb 0.47 -2.04 -0.16 0.00 -0.71 0.00 0.00 39.64 37.20 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 -7.67 2.04 -0.32 1.39 1.43 -0.72 -4.49 118.68 110.34 2j6i s LEU 348 Ca -0.35 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 2j6i s LEU 348 Cb 0.11 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.33 2j6i s LEU 348 CO 0.47 0.25 0.04 -0.22 0.23 0.00 0.00 176.35 177.12 2j6i s LEU 349 N -0.46 4.13 -1.42 1.79 2.96 0.90 -0.53 118.68 126.05 2j6i s LEU 349 Ca 0.07 -1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 52.64 2j6i s LEU 349 Cb -0.08 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2j6i s LEU 349 CO -0.01 -0.30 0.34 0.59 -1.32 0.00 0.00 176.35 175.65 2j6i n ASN 350 N 4.66 -0.35 0.00 3.68 5.03 -1.22 -1.26 115.26 125.80 2j6i n ASN 350 Ca -0.12 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.25 2j6i n ASN 350 Cb 0.43 -2.69 0.00 0.00 -1.02 0.00 0.00 39.78 36.51 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 -2.12 1.80 3.78 7.41 0.00 0.49 -4.39 105.19 112.16 2j6i n GLY 351 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.16 3.72 0.00 1.61 0.41 -0.39 -3.92 118.70 119.97 2j6i s GLU 352 Ca 0.00 -0.22 0.14 0.00 -0.41 0.00 0.00 54.97 54.48 2j6i s GLU 352 Cb 0.00 -3.23 0.82 0.00 -1.78 0.00 0.00 34.13 29.94 2j6i s GLU 352 CO 0.00 0.55 1.25 0.66 -0.49 0.00 0.00 175.26 177.22