#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8i s ILE 2 N 0.00 2.01 -0.11 1.12 1.01 -1.26 -4.33 121.20 119.64 2r8i s ILE 2 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 2r8i s ILE 2 Cb 0.00 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2r8i s ILE 2 CO 0.00 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 2r8i s VAL 3 N 1.26 3.30 -0.21 2.92 1.01 -0.05 -1.35 120.40 127.28 2r8i s VAL 3 Ca 0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2r8i s VAL 3 Cb -0.13 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2r8i s VAL 3 CO -0.12 0.54 -0.11 -0.22 0.00 0.00 0.00 175.10 175.19 2r8i s LEU 4 N 0.04 2.63 -0.16 3.92 0.20 0.50 -1.86 118.68 123.95 2r8i s LEU 4 Ca -0.03 -0.58 -0.03 0.00 0.69 0.00 0.00 54.13 54.17 2r8i s LEU 4 Cb -0.14 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 2r8i s LEU 4 CO 0.04 -0.03 -0.04 0.12 -0.29 0.00 0.00 176.35 176.15 2r8i s PHE 5 N 1.37 3.00 -0.14 5.38 5.36 0.96 0.75 117.98 134.66 2r8i s PHE 5 Ca 0.04 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 55.62 2r8i s PHE 5 Cb -0.14 -1.97 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2r8i s PHE 5 CO -0.07 -0.11 -0.12 0.08 -1.46 0.00 0.00 175.22 173.54 2r8i s VAL 6 N 0.51 3.13 -0.19 3.12 1.01 0.55 -0.92 120.40 127.60 2r8i s VAL 6 Ca -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2r8i s VAL 6 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.96 2r8i s VAL 6 CO 0.03 0.52 -0.00 -0.62 0.00 0.00 0.00 175.10 175.02 2r8i s ASP 7 N 0.43 3.02 0.24 3.32 -1.08 -0.55 -1.51 116.67 120.53 2r8i s ASP 7 Ca -0.09 -0.82 -0.30 0.00 -0.52 0.00 0.00 52.55 50.82 2r8i s ASP 7 Cb -0.16 -0.77 -0.10 0.00 -1.46 0.00 0.00 42.92 40.43 2r8i s ASP 7 CO 0.05 -0.26 1.41 -0.36 0.52 0.00 0.00 175.17 176.53 2r8i s PHE 8 N 1.72 3.07 0.16 -5.34 0.08 -0.60 -0.97 117.98 116.11 2r8i s PHE 8 Ca -0.01 1.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.81 2r8i s PHE 8 Cb -0.17 -3.77 -0.08 0.00 -0.57 0.00 0.00 43.02 38.43 2r8i s PHE 8 CO -0.07 -2.48 1.26 -0.51 -0.10 0.00 0.00 175.22 173.32 2r8i s ASP 9 N 0.34 6.99 -0.42 1.36 1.01 -0.92 -3.81 116.67 121.22 2r8i s ASP 9 Ca 0.59 2.26 -0.03 0.00 0.71 0.00 0.00 52.55 56.07 2r8i s ASP 9 Cb -0.41 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.93 2r8i s ASP 9 CO 0.42 -0.48 0.06 0.00 0.21 0.00 0.00 175.17 175.38 2r8i n TYR 10 N 3.03 -0.38 -0.06 4.23 0.18 -1.26 -4.46 117.16 118.43 2r8i n TYR 10 Ca 0.07 0.13 -0.02 0.00 1.88 0.00 0.00 57.90 59.96 2r8i n TYR 10 Cb 0.44 -0.81 -0.01 0.00 -0.38 0.00 0.00 39.34 38.57 2r8i n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2r8i n PHE 11 N -2.08 -0.06 -0.18 -3.48 7.35 -1.25 -0.20 117.46 117.56 2r8i n PHE 11 Ca -0.08 0.18 -0.01 0.00 -0.76 0.00 0.00 57.45 56.79 2r8i n PHE 11 Cb 0.19 -0.41 0.09 0.00 0.35 0.00 0.00 39.48 39.71 2r8i n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2r8i h TYR 12 N 0.00 0.22 -0.30 -5.13 -1.99 -1.95 0.15 116.97 107.97 2r8i h TYR 12 Ca 0.02 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 2r8i h TYR 12 Cb 0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 2r8i h TYR 12 CO -0.71 -0.00 0.04 0.00 -0.00 0.00 0.00 178.16 177.49 2r8i h ALA 13 N 1.43 0.40 -0.81 3.88 0.00 -1.70 -1.94 119.26 120.52 2r8i h ALA 13 Ca 0.29 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2r8i h ALA 13 Cb 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2r8i h ALA 13 CO -0.36 0.10 0.53 0.37 0.00 0.00 0.00 179.25 179.89 2r8i h GLN 14 N 0.31 0.96 -0.39 0.00 4.15 0.32 -1.09 115.11 119.38 2r8i h GLN 14 Ca 0.09 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2r8i h GLN 14 Cb 0.36 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2r8i h GLN 14 CO 0.01 0.64 0.17 0.28 -1.93 0.00 0.00 178.83 178.00 2r8i h VAL 15 N 0.99 1.18 -0.87 2.39 2.07 -0.43 -0.76 116.25 120.83 2r8i h VAL 15 Ca 0.32 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2r8i h VAL 15 Cb 0.04 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2r8i h VAL 15 CO -0.09 0.20 0.57 -0.33 0.02 0.00 0.00 177.57 177.94 2r8i h GLU 16 N 0.49 1.02 -0.52 1.57 4.39 -0.46 -0.06 114.58 121.00 2r8i h GLU 16 Ca 0.13 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2r8i h GLU 16 Cb 0.15 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2r8i h GLU 16 CO -0.01 0.67 -0.10 0.93 -1.16 0.00 0.00 179.01 179.34 2r8i h GLU 17 N 1.05 0.97 -0.38 2.33 5.08 -0.76 -0.48 114.58 122.37 2r8i h GLU 17 Ca 0.36 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2r8i h GLU 17 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2r8i h GLU 17 CO -0.12 1.01 0.25 0.28 -1.00 0.00 0.00 179.01 179.43 2r8i h VAL 18 N 0.87 1.11 0.00 3.13 2.07 0.10 0.32 116.25 123.85 2r8i h VAL 18 Ca 0.14 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2r8i h VAL 18 Cb 0.64 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2r8i h VAL 18 CO 0.04 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.92 2r8i n LEU 19 N -4.81 0.48 -2.89 2.57 4.32 -0.16 -4.08 117.00 112.43 2r8i n LEU 19 Ca 0.00 0.61 -0.09 0.00 -0.02 0.00 0.00 56.01 56.52 2r8i n LEU 19 Cb 0.03 -0.53 -0.01 0.00 -1.62 0.00 0.00 43.42 41.28 2r8i n LEU 19 CO 0.35 -0.43 0.03 -3.20 -1.22 0.00 0.00 177.39 172.91 2r8i n ASN 20 N -2.02 -2.86 0.25 -1.43 2.85 -0.22 -5.03 115.26 106.79 2r8i n ASN 20 Ca 0.03 -2.82 0.13 0.00 -0.11 0.00 0.00 54.58 51.81 2r8i n ASN 20 Cb 0.23 1.30 0.67 0.00 1.24 0.00 0.00 39.78 43.22 2r8i n ASN 20 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2r8i h PRO 21 N 5.11 0.00 0.00 1.20 0.11 -0.55 -1.59 132.00 136.28 2r8i h PRO 21 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2r8i h PRO 21 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2r8i h PRO 21 CO 0.09 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.75 2r8i n SER 22 N -2.52 0.69 0.20 -2.05 3.41 -1.26 -1.98 113.62 110.11 2r8i n SER 22 Ca -0.02 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 2r8i n SER 22 Cb 0.27 -0.81 0.26 0.00 -0.26 0.00 0.00 64.21 63.66 2r8i n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2r8i h LEU 23 N 0.00 0.00 -9.29 1.04 3.38 -1.58 -3.46 115.31 105.40 2r8i h LEU 23 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2r8i h LEU 23 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 2r8i h LEU 23 CO 0.00 0.22 1.12 1.17 0.09 0.00 0.00 178.44 181.04 2r8i n LYS 24 N -3.22 2.29 0.00 1.13 4.81 -0.84 -1.23 118.16 121.10 2r8i n LYS 24 Ca 0.02 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2r8i n LYS 24 Cb 0.54 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2r8i n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2r8i n GLY 25 N 4.44 2.94 3.84 3.14 0.00 -1.26 -5.08 105.19 113.21 2r8i n GLY 25 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2r8i n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8i s LYS 26 N -0.59 3.13 0.03 1.61 1.02 -0.37 -5.00 119.74 119.57 2r8i s LYS 26 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 2r8i s LYS 26 Cb 0.00 -2.84 -0.07 0.00 -0.52 0.00 0.00 37.83 34.40 2r8i s LYS 26 CO 0.00 0.56 1.59 -1.25 -0.92 0.00 0.00 175.35 175.33 2r8i s PRO 27 N -2.65 4.22 -0.12 -1.68 0.04 -1.26 -4.84 135.00 128.71 2r8i s PRO 27 Ca 0.32 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.59 2r8i s PRO 27 Cb -0.12 -3.67 -0.01 0.00 0.04 0.00 0.00 34.50 30.74 2r8i s PRO 27 CO 0.25 -0.72 -0.17 0.08 0.04 0.00 0.00 177.00 176.48 2r8i s VAL 28 N 2.85 2.70 -0.21 -0.36 1.01 -1.26 -1.65 120.40 123.48 2r8i s VAL 28 Ca 0.71 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2r8i s VAL 28 Cb -0.36 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 33.95 2r8i s VAL 28 CO 0.30 0.54 -0.11 -0.69 0.00 0.00 0.00 175.10 175.14 2r8i s VAL 29 N 0.35 1.79 -0.24 2.92 1.01 -0.12 -1.20 120.40 124.91 2r8i s VAL 29 Ca -0.14 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 2r8i s VAL 29 Cb -0.17 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2r8i s VAL 29 CO 0.07 0.16 0.60 -0.69 0.00 0.00 0.00 175.10 175.24 2r8i s VAL 30 N 1.33 5.02 0.25 2.92 1.01 -0.19 -0.88 120.40 129.86 2r8i s VAL 30 Ca -0.02 1.08 0.12 0.00 0.00 0.00 0.00 61.98 63.15 2r8i s VAL 30 Cb -0.17 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2r8i s VAL 30 CO -0.08 0.06 -0.19 0.00 0.00 0.00 0.00 175.10 174.90 2r8i s VAL 32 N -2.26 2.82 -0.08 0.00 1.01 -0.17 0.18 120.40 121.89 2r8i s VAL 32 Ca 0.28 -2.41 -0.30 0.00 0.00 0.00 0.00 61.98 59.55 2r8i s VAL 32 Cb -0.06 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2r8i s VAL 32 CO 0.14 -0.68 1.01 -0.36 0.00 0.00 0.00 175.10 175.21 2r8i s PHE 33 N 0.76 3.52 -2.07 5.22 0.08 -1.26 -2.35 117.98 121.88 2r8i s PHE 33 Ca 0.11 1.59 0.25 0.00 0.12 0.00 0.00 56.93 59.01 2r8i s PHE 33 Cb -0.21 -3.19 0.50 0.00 -0.57 0.00 0.00 43.02 39.55 2r8i s PHE 33 CO -0.05 -0.25 1.41 -1.13 -0.10 0.00 0.00 175.22 175.10 2r8i n SER 34 N 4.81 1.60 -0.85 1.36 3.41 -0.73 -4.97 113.62 118.25 2r8i n SER 34 Ca 0.08 -1.28 -0.11 0.00 -0.26 0.00 0.00 58.87 57.30 2r8i n SER 34 Cb 0.49 0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 2r8i n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r8i n GLY 35 N 1.34 1.18 0.11 5.00 0.00 -1.26 -4.77 105.19 106.79 2r8i n GLY 35 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2r8i n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r8i h ARG 36 N 0.07 0.00 0.00 1.61 3.08 -1.86 -3.45 114.38 113.83 2r8i h ARG 36 Ca -0.23 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.88 2r8i h ARG 36 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2r8i h ARG 36 CO 0.33 0.75 0.17 1.97 -1.07 0.00 0.00 179.97 182.13 2r8i n PHE 37 N -3.56 -0.44 -1.81 3.04 1.16 -1.26 -4.99 117.46 109.59 2r8i n PHE 37 Ca -0.00 -0.22 -0.43 0.00 -1.87 0.00 0.00 57.45 54.93 2r8i n PHE 37 Cb 0.75 0.10 -0.03 0.00 -1.61 0.00 0.00 39.48 38.69 2r8i n PHE 37 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2r8i s GLU 38 N -2.01 3.55 -0.93 3.97 2.56 -1.26 -2.53 118.70 122.05 2r8i s GLU 38 Ca 0.06 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.00 2r8i s GLU 38 Cb -0.00 -4.21 0.00 0.00 2.00 0.00 0.00 34.13 31.91 2r8i s GLU 38 CO 0.00 -1.61 0.00 -0.25 -0.56 0.00 0.00 175.26 172.85 2r8i n ASP 39 N 9.73 -3.99 -4.78 -1.70 8.00 -1.26 -5.01 116.55 117.55 2r8i n ASP 39 Ca 0.24 0.20 -0.37 0.00 0.71 0.00 0.00 54.79 55.57 2r8i n ASP 39 Cb 0.44 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.12 39.14 2r8i n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2r8i s SER 40 N -2.88 6.63 0.00 -2.24 1.04 -1.05 -4.00 113.70 111.20 2r8i s SER 40 Ca 0.00 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2r8i s SER 40 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2r8i s SER 40 CO 0.00 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2r8i n GLY 41 N 0.46 0.91 3.18 7.32 0.00 -1.26 -1.77 105.19 114.02 2r8i n GLY 41 Ca 0.05 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 2r8i n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8i s ALA 42 N -1.12 1.00 -0.20 4.61 0.00 -0.99 -1.83 121.76 123.22 2r8i s ALA 42 Ca 0.00 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.24 2r8i s ALA 42 Cb 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 2r8i s ALA 42 CO 0.00 -0.35 0.96 0.08 0.00 0.00 0.00 175.76 176.45 2r8i s VAL 43 N -3.79 4.76 -0.00 0.00 1.01 -0.54 -1.00 120.40 120.84 2r8i s VAL 43 Ca 0.18 1.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.83 2r8i s VAL 43 Cb 0.07 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 32.01 2r8i s VAL 43 CO -0.01 -0.10 1.21 0.00 0.00 0.00 0.00 175.10 176.21 2r8i h ALA 44 N 7.41 0.12 -2.18 5.51 0.00 -0.29 0.32 119.26 130.15 2r8i h ALA 44 Ca -0.23 -0.38 0.22 0.00 0.00 0.00 0.00 54.91 54.52 2r8i h ALA 44 Cb 1.09 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2r8i h ALA 44 CO 0.92 0.07 0.63 -0.08 0.00 0.00 0.00 179.25 180.79 2r8i s THR 45 N -3.83 0.00 0.08 0.00 -1.32 -1.14 -4.52 115.64 104.90 2r8i s THR 45 Ca -0.15 -0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 59.70 2r8i s THR 45 Cb 0.03 -2.38 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 2r8i s THR 45 CO 0.74 0.00 0.31 0.00 -2.21 0.00 0.00 174.62 173.47 2r8i s ALA 46 N -2.61 -0.67 0.89 11.08 0.00 -1.26 -1.02 121.76 128.17 2r8i s ALA 46 Ca 0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 2r8i s ALA 46 Cb -0.00 0.47 0.13 0.00 0.00 0.00 0.00 23.12 23.71 2r8i s ALA 46 CO 0.02 -0.50 1.17 0.54 0.00 0.00 0.00 175.76 176.98 2r8i s ASN 47 N -2.46 3.76 0.43 0.00 2.20 -0.34 -4.76 114.94 113.77 2r8i s ASN 47 Ca -0.00 0.81 0.12 0.00 -0.94 0.00 0.00 52.86 52.85 2r8i s ASN 47 Cb 0.01 -1.29 0.94 0.00 -2.00 0.00 0.00 41.25 38.92 2r8i s ASN 47 CO -0.08 -2.38 1.98 1.88 -2.94 0.00 0.00 177.10 175.57 2r8i h TYR 48 N -1.38 0.11 -0.91 1.54 -1.99 -1.96 0.87 116.97 113.26 2r8i h TYR 48 Ca -0.48 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.34 2r8i h TYR 48 Cb 1.32 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.94 2r8i h TYR 48 CO 0.07 0.24 0.55 0.93 -0.00 0.00 0.00 178.16 179.94 2r8i h GLU 49 N 0.11 0.90 0.15 4.88 3.07 -1.92 -1.43 114.58 120.33 2r8i h GLU 49 Ca 0.02 -0.05 -0.30 0.00 -0.50 0.00 0.00 59.36 58.53 2r8i h GLU 49 Cb 0.29 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2r8i h GLU 49 CO 0.02 0.60 -1.42 0.00 -1.40 0.00 0.00 179.01 176.81 2r8i h ALA 50 N 1.47 0.13 -0.15 3.43 0.00 -1.65 -3.35 119.26 119.14 2r8i h ALA 50 Ca 0.43 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2r8i h ALA 50 Cb 0.35 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2r8i h ALA 50 CO -0.23 1.00 0.07 -0.09 0.00 0.00 0.00 179.25 180.00 2r8i h ARG 51 N 0.08 0.21 0.00 0.00 2.43 -0.06 -1.73 114.38 115.31 2r8i h ARG 51 Ca -0.20 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2r8i h ARG 51 Cb 2.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 2r8i h ARG 51 CO 0.20 0.17 0.00 0.36 -1.51 0.00 0.00 179.97 179.18 2r8i n LYS 52 N -4.48 0.12 -0.31 0.20 2.85 -0.61 -1.92 118.16 114.01 2r8i n LYS 52 Ca -0.01 0.33 0.10 0.00 -1.05 0.00 0.00 58.31 57.69 2r8i n LYS 52 Cb 0.10 -1.72 0.27 0.00 -0.65 0.00 0.00 35.03 33.03 2r8i n LYS 52 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2r8i n PHE 53 N -1.96 0.81 -0.33 5.58 3.72 -0.67 -4.94 117.46 119.67 2r8i n PHE 53 Ca 0.03 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 2r8i n PHE 53 Cb 0.23 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2r8i n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r8i n GLY 54 N 1.36 0.78 3.48 1.37 0.00 -0.81 -4.99 105.19 106.38 2r8i n GLY 54 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2r8i n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r8i s VAL 55 N -2.22 4.82 0.25 1.61 1.01 -1.08 -5.01 120.40 119.77 2r8i s VAL 55 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2r8i s VAL 55 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2r8i s VAL 55 CO 0.00 -0.74 0.17 -1.59 0.00 0.00 0.00 175.10 172.93 2r8i s LYS 56 N 2.81 1.40 0.21 2.72 -2.85 -1.26 -3.36 119.74 119.41 2r8i s LYS 56 Ca 0.19 -1.77 -0.32 0.00 -1.00 0.00 0.00 55.97 53.07 2r8i s LYS 56 Cb -0.16 0.19 -0.14 0.00 -2.06 0.00 0.00 37.83 35.65 2r8i s LYS 56 CO 0.15 -0.45 1.42 0.00 0.10 0.00 0.00 175.35 176.57 2r8i n ALA 57 N -0.41 0.86 0.00 0.59 0.00 -1.26 -2.85 120.51 117.44 2r8i n ALA 57 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2r8i n ALA 57 Cb 0.65 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2r8i n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r8i n GLY 58 N 2.45 3.05 3.80 0.00 0.00 0.10 -4.98 105.19 109.61 2r8i n GLY 58 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2r8i n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2r8i s ILE 59 N -2.89 3.95 0.55 -0.61 -4.36 -1.13 -4.67 121.20 112.04 2r8i s ILE 59 Ca 0.00 1.21 -0.21 0.00 -0.26 0.00 0.00 60.65 61.39 2r8i s ILE 59 Cb 0.00 -3.49 -0.05 0.00 1.25 0.00 0.00 42.46 40.17 2r8i s ILE 59 CO 0.00 -0.27 1.27 -2.65 0.24 0.00 0.00 174.94 173.54 2r8i n PRO 60 N -0.90 1.51 -0.28 0.37 -0.02 -1.26 -1.46 135.00 132.96 2r8i n PRO 60 Ca 0.09 0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 62.11 2r8i n PRO 60 Cb 0.53 -2.48 0.16 0.00 -0.02 0.00 0.00 33.50 31.69 2r8i n PRO 60 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2r8i h ILE 61 N 1.24 1.23 -0.83 4.25 2.04 -1.59 -2.32 117.51 121.53 2r8i h ILE 61 Ca -0.50 -0.52 0.13 0.00 1.00 0.00 0.00 64.86 64.97 2r8i h ILE 61 Cb 1.32 0.05 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 2r8i h ILE 61 CO 0.56 0.25 0.44 0.58 0.00 0.00 0.00 178.15 179.98 2r8i h VAL 62 N 1.16 0.79 -0.10 1.67 2.07 -1.82 -0.64 116.25 119.38 2r8i h VAL 62 Ca 0.30 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 2r8i h VAL 62 Cb -0.04 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 2r8i h VAL 62 CO -0.06 0.12 -0.54 -0.08 0.02 0.00 0.00 177.57 177.03 2r8i h GLU 63 N 0.68 0.29 -0.50 1.57 4.57 -1.78 -2.87 114.58 116.54 2r8i h GLU 63 Ca 0.43 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 2r8i h GLU 63 Cb 0.54 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2r8i h GLU 63 CO -0.32 0.76 -0.04 0.00 -1.18 0.00 0.00 179.01 178.23 2r8i h ALA 64 N 1.21 0.98 0.00 2.92 0.00 -0.82 -2.75 119.26 120.80 2r8i h ALA 64 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2r8i h ALA 64 Cb 1.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2r8i h ALA 64 CO 0.09 0.61 -0.47 0.87 0.00 0.00 0.00 179.25 180.35 2r8i h LYS 65 N 0.79 0.00 -0.49 0.00 1.57 -1.13 0.12 116.57 117.43 2r8i h LYS 65 Ca 0.14 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2r8i h LYS 65 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2r8i h LYS 65 CO 0.03 0.47 -0.14 0.87 -0.57 0.00 0.00 179.45 180.11 2r8i h LYS 66 N 0.00 0.92 0.07 3.15 1.57 -1.28 -1.33 116.57 119.67 2r8i h LYS 66 Ca -0.00 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2r8i h LYS 66 Cb 0.93 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2r8i h LYS 66 CO 0.06 1.00 -0.03 0.82 -0.57 0.00 0.00 179.45 180.73 2r8i h ILE 67 N 0.82 0.96 -2.62 1.86 2.04 -1.20 -3.40 117.51 115.96 2r8i h ILE 67 Ca 0.13 -1.49 -0.61 0.00 1.00 0.00 0.00 64.86 63.89 2r8i h ILE 67 Cb 0.68 1.73 -0.42 0.00 -0.74 0.00 0.00 36.82 38.07 2r8i h ILE 67 CO 0.05 0.29 -0.63 0.18 0.00 0.00 0.00 178.15 178.04 2r8i n LEU 68 N -4.79 3.01 0.32 1.44 4.77 0.38 -4.92 117.00 117.21 2r8i n LEU 68 Ca -0.07 -5.24 0.20 0.00 -0.03 0.00 0.00 56.01 50.87 2r8i n LEU 68 Cb 0.27 -0.58 1.05 0.00 -2.33 0.00 0.00 43.42 41.83 2r8i n LEU 68 CO 0.22 1.91 1.13 1.55 -1.33 0.00 0.00 177.39 180.87 2r8i h PRO 69 N 4.82 0.00 -0.49 3.23 0.13 -1.44 -2.58 132.00 135.67 2r8i h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2r8i h PRO 69 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2r8i h PRO 69 CO 0.74 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 2r8i n ASN 70 N -3.29 4.77 -4.55 1.44 5.03 -1.26 -4.97 115.26 112.41 2r8i n ASN 70 Ca -0.02 -2.77 -0.29 0.00 0.87 0.00 0.00 54.58 52.37 2r8i n ASN 70 Cb 0.12 -0.59 0.14 0.00 -1.02 0.00 0.00 39.78 38.43 2r8i n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2r8i s ALA 71 N -2.42 2.31 -0.31 5.41 0.00 -0.97 -4.98 121.76 120.80 2r8i s ALA 71 Ca 0.48 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 2r8i s ALA 71 Cb 0.35 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2r8i s ALA 71 CO 0.16 -2.11 0.39 0.08 0.00 0.00 0.00 175.76 174.28 2r8i s VAL 72 N -3.64 5.15 -0.31 0.00 1.01 -0.66 -5.01 120.40 116.94 2r8i s VAL 72 Ca 0.67 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 2r8i s VAL 72 Cb -0.09 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2r8i s VAL 72 CO 0.51 -0.01 0.18 -0.31 0.00 0.00 0.00 175.10 175.47 2r8i s TYR 73 N 2.09 3.19 -0.04 5.22 2.02 -1.26 -0.94 117.35 127.63 2r8i s TYR 73 Ca 0.14 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2r8i s TYR 73 Cb -0.16 -2.39 -0.01 0.00 -0.40 0.00 0.00 41.96 39.00 2r8i s TYR 73 CO 0.11 -0.37 -0.25 -0.51 -1.57 0.00 0.00 175.55 172.96 2r8i s LEU 74 N 1.67 2.07 0.34 -1.29 1.43 -0.06 -4.98 118.68 117.85 2r8i s LEU 74 Ca 0.06 -0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 2r8i s LEU 74 Cb -0.17 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 2r8i s LEU 74 CO 0.08 0.28 1.14 -2.16 0.23 0.00 0.00 176.35 175.92 2r8i s PRO 75 N -0.36 4.37 0.27 1.29 0.04 -1.26 0.52 135.00 139.87 2r8i s PRO 75 Ca 0.02 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 2r8i s PRO 75 Cb -0.12 -2.94 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 2r8i s PRO 75 CO 0.02 -0.04 1.62 1.41 0.04 0.00 0.00 177.00 180.05 2r8i s MET 76 N -1.87 4.13 -0.64 4.56 1.75 0.13 -4.74 119.30 122.61 2r8i s MET 76 Ca 0.50 2.58 0.06 0.00 -1.25 0.00 0.00 55.69 57.57 2r8i s MET 76 Cb -0.31 -3.04 0.21 0.00 2.84 0.00 0.00 34.83 34.53 2r8i s MET 76 CO 0.40 -0.66 0.60 0.54 -0.65 0.00 0.00 175.02 175.26 2r8i n ARG 77 N 2.62 1.98 -0.20 4.11 1.74 -1.26 -4.97 116.66 120.68 2r8i n ARG 77 Ca 0.10 -4.42 0.01 0.00 -0.77 0.00 0.00 57.85 52.77 2r8i n ARG 77 Cb 0.37 -2.18 0.10 0.00 -1.02 0.00 0.00 32.46 29.74 2r8i n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2r8i h LYS 78 N 4.78 0.14 -0.41 5.56 1.63 -2.00 -2.39 116.57 123.88 2r8i h LYS 78 Ca 0.17 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 2r8i h LYS 78 Cb 0.73 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.24 2r8i h LYS 78 CO 0.74 0.09 -0.15 0.93 -3.45 0.00 0.00 179.45 177.61 2r8i h GLU 79 N 0.14 -0.06 -0.79 1.90 3.07 -2.01 -1.73 114.58 115.10 2r8i h GLU 79 Ca 0.32 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 2r8i h GLU 79 Cb 0.52 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 2r8i h GLU 79 CO -0.51 -0.04 0.41 0.28 -1.40 0.00 0.00 179.01 177.75 2r8i h VAL 80 N -0.06 1.24 -0.39 3.13 2.07 -1.88 -2.82 116.25 117.55 2r8i h VAL 80 Ca 0.20 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 2r8i h VAL 80 Cb 0.37 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2r8i h VAL 80 CO -0.46 0.28 -0.06 1.88 0.02 0.00 0.00 177.57 179.23 2r8i h TYR 81 N 1.11 0.70 -0.35 1.57 0.05 -1.07 -2.62 116.97 116.35 2r8i h TYR 81 Ca 0.28 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 2r8i h TYR 81 Cb 0.07 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 2r8i h TYR 81 CO 0.01 0.70 0.12 0.37 -1.05 0.00 0.00 178.16 178.31 2r8i h GLN 82 N 0.61 0.54 -0.67 4.88 5.75 -1.10 -0.03 115.11 125.08 2r8i h GLN 82 Ca 0.12 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2r8i h GLN 82 Cb 0.47 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 2r8i h GLN 82 CO 0.02 0.55 0.22 1.96 -2.65 0.00 0.00 178.83 178.94 2r8i h GLN 83 N 0.42 1.02 -0.46 1.69 4.20 -1.39 0.38 115.11 120.98 2r8i h GLN 83 Ca 0.11 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2r8i h GLN 83 Cb 0.23 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2r8i h GLN 83 CO -0.01 0.87 -0.15 0.28 -0.67 0.00 0.00 178.83 179.16 2r8i h VAL 84 N 0.99 1.27 -0.32 -0.54 2.07 -1.26 -2.38 116.25 116.07 2r8i h VAL 84 Ca 0.22 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 2r8i h VAL 84 Cb 0.26 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2r8i h VAL 84 CO -0.01 0.43 0.11 -1.28 0.02 0.00 0.00 177.57 176.85 2r8i h SER 85 N 0.77 0.46 -0.60 0.57 0.87 -0.47 -2.54 113.55 112.61 2r8i h SER 85 Ca 0.12 -0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2r8i h SER 85 Cb 0.67 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 2r8i h SER 85 CO 0.05 0.53 0.32 0.28 -0.53 0.00 0.00 176.83 177.47 2r8i h SER 86 N 0.37 0.46 -0.40 6.23 0.02 -0.76 0.98 113.55 120.45 2r8i h SER 86 Ca 0.11 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2r8i h SER 86 Cb 0.22 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2r8i h SER 86 CO -0.01 0.31 0.22 0.03 -1.14 0.00 0.00 176.83 176.24 2r8i h ARG 87 N 0.60 0.59 -0.04 3.45 3.08 -1.30 -0.04 114.38 120.72 2r8i h ARG 87 Ca 0.27 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 60.01 2r8i h ARG 87 Cb 0.17 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.11 2r8i h ARG 87 CO -0.18 0.45 -0.96 0.82 -1.07 0.00 0.00 179.97 179.03 2r8i h ILE 88 N 0.60 1.28 -0.35 2.04 2.04 -0.79 -2.72 117.51 119.62 2r8i h ILE 88 Ca 0.15 -2.18 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 2r8i h ILE 88 Cb 0.04 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 2r8i h ILE 88 CO -0.02 0.68 0.16 0.24 0.00 0.00 0.00 178.15 179.21 2r8i h MET 89 N 0.43 0.48 -0.45 2.37 2.86 -0.30 -1.87 114.93 118.45 2r8i h MET 89 Ca -0.10 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.35 2r8i h MET 89 Cb 1.61 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 2r8i h MET 89 CO 0.19 0.38 -0.24 -0.91 1.06 0.00 0.00 176.91 177.39 2r8i h ASN 90 N 0.48 0.96 -0.57 1.22 2.35 -0.91 -2.58 115.58 116.53 2r8i h ASN 90 Ca 0.12 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2r8i h ASN 90 Cb 0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2r8i h ASN 90 CO -0.02 1.15 0.34 -0.07 -1.65 0.00 0.00 177.43 177.19 2r8i h LEU 91 N 0.80 0.69 -1.47 1.61 3.38 -1.05 -2.28 115.31 117.00 2r8i h LEU 91 Ca 0.10 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2r8i h LEU 91 Cb 0.81 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2r8i h LEU 91 CO 0.07 0.55 0.44 -0.07 0.09 0.00 0.00 178.44 179.52 2r8i h LEU 92 N 0.77 0.56 -0.74 1.67 3.38 -1.20 -0.84 115.31 118.90 2r8i h LEU 92 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2r8i h LEU 92 Cb -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2r8i h LEU 92 CO -0.04 0.35 0.00 0.54 0.09 0.00 0.00 178.44 179.39 2r8i n ARG 93 N -4.48 0.09 -0.00 1.13 1.74 -0.86 -0.99 116.66 113.29 2r8i n ARG 93 Ca 0.10 0.52 0.14 0.00 -0.77 0.00 0.00 57.85 57.85 2r8i n ARG 93 Cb 0.27 -1.76 0.67 0.00 -1.02 0.00 0.00 32.46 30.61 2r8i n ARG 93 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2r8i n GLU 94 N -1.95 1.41 -0.00 5.56 1.02 -0.32 -3.60 120.64 122.76 2r8i n GLU 94 Ca 0.00 -0.60 0.04 0.00 -0.02 0.00 0.00 57.16 56.58 2r8i n GLU 94 Cb 0.07 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2r8i n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2r8i n TYR 95 N -0.26 0.00 -3.60 -0.32 4.01 -0.16 -5.05 117.16 111.78 2r8i n TYR 95 Ca 0.20 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.86 2r8i n TYR 95 Cb 0.26 -0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 2r8i n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2r8i s SER 96 N -2.32 -0.32 0.03 7.72 0.15 -1.23 -4.93 113.70 112.79 2r8i s SER 96 Ca 0.00 0.43 -0.00 0.00 0.70 0.00 0.00 55.95 57.08 2r8i s SER 96 Cb 0.06 0.37 -0.26 0.00 -1.71 0.00 0.00 66.02 64.48 2r8i s SER 96 CO 0.35 -0.24 0.94 -0.33 1.20 0.00 0.00 173.24 175.15 2r8i h GLU 97 N 2.86 0.19 -6.00 5.44 3.07 -1.88 -3.42 114.58 114.84 2r8i h GLU 97 Ca -0.19 -0.33 -0.58 0.00 -0.50 0.00 0.00 59.36 57.76 2r8i h GLU 97 Cb 1.17 0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 29.10 2r8i h GLU 97 CO 0.25 1.05 0.83 0.15 -1.40 0.00 0.00 179.01 179.89 2r8i s LYS 98 N -2.63 3.19 -0.00 2.33 1.02 -1.26 -4.98 119.74 117.40 2r8i s LYS 98 Ca -0.06 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2r8i s LYS 98 Cb 0.07 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 2r8i s LYS 98 CO 0.85 -1.95 -0.00 -1.50 -0.92 0.00 0.00 175.35 171.83 2r8i s ILE 99 N 4.95 0.04 -0.26 2.17 2.07 -1.26 -2.13 121.20 126.77 2r8i s ILE 99 Ca 0.30 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.57 2r8i s ILE 99 Cb -0.12 -0.06 0.06 0.00 0.13 0.00 0.00 42.46 42.48 2r8i s ILE 99 CO 0.14 0.02 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.40 2r8i s GLU 100 N 0.12 2.29 -0.70 3.50 2.12 -0.66 -3.22 118.70 122.16 2r8i s GLU 100 Ca -0.01 -1.32 -0.25 0.00 0.36 0.00 0.00 54.97 53.75 2r8i s GLU 100 Cb -0.02 -2.92 0.05 0.00 0.26 0.00 0.00 34.13 31.50 2r8i s GLU 100 CO -0.00 -0.56 1.13 0.42 -0.54 0.00 0.00 175.26 175.71 2r8i s ILE 101 N 1.13 4.00 0.15 -3.70 1.01 -1.26 -1.72 121.20 120.81 2r8i s ILE 101 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 2r8i s ILE 101 Cb -0.20 -4.81 -0.16 0.00 0.01 0.00 0.00 42.46 37.30 2r8i s ILE 101 CO -0.05 -1.66 1.35 0.00 0.00 0.00 0.00 174.94 174.58 2r8i h ALA 102 N 9.81 0.45 -2.55 9.38 0.00 -1.83 -3.43 119.26 131.09 2r8i h ALA 102 Ca -0.28 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 53.94 2r8i h ALA 102 Cb 1.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2r8i h ALA 102 CO 1.23 0.85 0.26 -1.13 0.00 0.00 0.00 179.25 180.47 2r8i n SER 103 N -3.72 -1.47 0.18 0.00 3.41 -1.21 -4.96 113.62 105.85 2r8i n SER 103 Ca -0.05 -1.95 0.12 0.00 -0.26 0.00 0.00 58.87 56.73 2r8i n SER 103 Cb 0.81 2.43 0.63 0.00 -0.26 0.00 0.00 64.21 67.83 2r8i n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2r8i h ILE 104 N 1.68 0.00 0.00 -1.33 2.10 -2.01 -3.04 117.51 114.92 2r8i h ILE 104 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.72 2r8i h ILE 104 Cb 0.85 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 2r8i h ILE 104 CO 0.28 0.00 -0.46 -0.90 -1.08 0.00 0.00 178.15 176.00 2r8i n ASP 105 N -2.32 0.00 -4.12 2.19 5.75 -1.26 -4.77 116.55 112.02 2r8i n ASP 105 Ca -0.02 -1.91 -0.17 0.00 -0.01 0.00 0.00 54.79 52.68 2r8i n ASP 105 Cb 0.05 -0.18 -0.12 0.00 -1.03 0.00 0.00 41.12 39.83 2r8i n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2r8i s GLU 106 N 0.00 0.75 -0.27 0.11 2.02 -1.15 -1.55 118.70 118.61 2r8i s GLU 106 Ca 0.00 -0.81 -0.25 0.00 0.02 0.00 0.00 54.97 53.93 2r8i s GLU 106 Cb 0.00 -0.69 0.09 0.00 0.10 0.00 0.00 34.13 33.62 2r8i s GLU 106 CO 0.00 0.16 0.81 0.00 0.02 0.00 0.00 175.26 176.25 2r8i s ALA 107 N -1.13 -1.84 -0.08 5.21 0.00 -0.57 -2.27 121.76 121.08 2r8i s ALA 107 Ca -0.03 1.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.92 2r8i s ALA 107 Cb -0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 2r8i s ALA 107 CO 0.01 -0.31 -0.06 0.71 0.00 0.00 0.00 175.76 176.11 2r8i s TYR 108 N 0.35 2.96 -0.10 0.00 2.02 -0.70 -0.33 117.35 121.55 2r8i s TYR 108 Ca 0.01 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 2r8i s TYR 108 Cb -0.05 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2r8i s TYR 108 CO -0.01 0.28 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.54 2r8i s LEU 109 N -0.62 1.93 -0.45 -1.29 1.43 0.23 -1.65 118.68 118.26 2r8i s LEU 109 Ca 0.09 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2r8i s LEU 109 Cb -0.12 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.91 2r8i s LEU 109 CO 0.02 0.10 0.73 -0.62 0.23 0.00 0.00 176.35 176.81 2r8i s ASP 110 N 0.56 6.36 -0.22 2.29 3.68 -0.91 -0.37 116.67 128.06 2r8i s ASP 110 Ca -0.15 -0.26 0.13 0.00 2.13 0.00 0.00 52.55 54.41 2r8i s ASP 110 Cb -0.17 -2.36 0.48 0.00 -1.45 0.00 0.00 42.92 39.43 2r8i s ASP 110 CO 0.05 -0.88 1.40 2.30 0.13 0.00 0.00 175.17 178.17 2r8i n ILE 111 N 6.00 2.35 0.17 4.11 -5.35 -0.46 -4.67 119.36 121.52 2r8i n ILE 111 Ca 0.00 -2.37 0.18 0.00 -0.27 0.00 0.00 62.75 60.29 2r8i n ILE 111 Cb 0.48 -0.28 0.80 0.00 -1.74 0.00 0.00 39.64 38.89 2r8i n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2r8i h SER 112 N 1.17 0.00 0.00 7.28 0.02 -1.83 -2.59 113.55 117.60 2r8i h SER 112 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2r8i h SER 112 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2r8i h SER 112 CO 0.26 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.42 2r8i n ASP 113 N -3.83 0.00 0.26 3.07 8.00 -1.26 -4.36 116.55 118.43 2r8i n ASP 113 Ca 0.03 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2r8i n ASP 113 Cb 0.40 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2r8i n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2r8i n LYS 114 N -1.40 0.02 -4.18 -1.24 4.76 -1.20 -4.41 118.16 110.51 2r8i n LYS 114 Ca 0.00 0.76 -0.11 0.00 -2.87 0.00 0.00 58.31 56.09 2r8i n LYS 114 Cb 0.00 -2.12 -0.10 0.00 -1.84 0.00 0.00 35.03 30.96 2r8i n LYS 114 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2r8i s VAL 115 N -3.41 0.35 0.00 -0.18 1.01 -0.98 -5.04 120.40 112.15 2r8i s VAL 115 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.05 2r8i s VAL 115 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2r8i s VAL 115 CO 0.00 -0.52 0.73 0.54 0.00 0.00 0.00 175.10 175.86 2r8i n ARG 116 N -0.14 1.46 -3.61 2.72 1.74 -1.26 -4.70 116.66 112.88 2r8i n ARG 116 Ca -0.07 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.03 2r8i n ARG 116 Cb 0.63 -0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 31.30 2r8i n ARG 116 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2r8i s ASP 117 N -0.50 -0.06 0.26 0.55 -4.77 -1.26 -5.03 116.67 105.85 2r8i s ASP 117 Ca 0.00 -0.08 0.21 0.00 -3.30 0.00 0.00 52.55 49.38 2r8i s ASP 117 Cb 0.00 0.13 0.99 0.00 -1.09 0.00 0.00 42.92 42.94 2r8i s ASP 117 CO 0.00 -0.22 1.64 -1.22 0.70 0.00 0.00 175.17 176.07 2r8i n TYR 118 N -0.38 0.69 0.06 2.11 4.01 -1.26 -1.94 117.16 120.46 2r8i n TYR 118 Ca -0.06 0.31 -0.07 0.00 -0.16 0.00 0.00 57.90 57.92 2r8i n TYR 118 Cb 0.62 -1.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.60 2r8i n TYR 118 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2r8i h ARG 119 N 0.00 -0.24 -0.75 -0.72 2.43 -1.99 -0.97 114.38 112.15 2r8i h ARG 119 Ca 0.00 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2r8i h ARG 119 Cb 0.19 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2r8i h ARG 119 CO 0.00 0.05 0.49 0.93 -1.51 0.00 0.00 179.97 179.93 2r8i h GLU 120 N -1.00 0.75 0.46 0.20 5.08 -1.94 -1.79 114.58 116.34 2r8i h GLU 120 Ca -0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2r8i h GLU 120 Cb 0.39 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2r8i h GLU 120 CO 0.04 0.50 -0.22 0.00 -1.00 0.00 0.00 179.01 178.32 2r8i h ALA 121 N 1.60 -0.62 -0.94 3.43 0.00 -1.39 0.19 119.26 121.52 2r8i h ALA 121 Ca 0.32 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.23 2r8i h ALA 121 Cb 0.28 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2r8i h ALA 121 CO -0.11 -0.85 0.60 -0.92 0.00 0.00 0.00 179.25 177.97 2r8i h TYR 122 N -0.62 0.97 -0.27 0.00 3.20 -0.61 0.89 116.97 120.54 2r8i h TYR 122 Ca -0.06 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.64 2r8i h TYR 122 Cb 0.48 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2r8i h TYR 122 CO -0.04 0.37 -0.58 -0.91 -1.64 0.00 0.00 178.16 175.35 2r8i h ASN 123 N 0.83 0.96 0.42 -2.11 -0.26 -0.98 -2.45 115.58 112.00 2r8i h ASN 123 Ca 0.47 -0.53 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 2r8i h ASN 123 Cb 0.62 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2r8i h ASN 123 CO -0.24 1.33 -0.09 0.25 -1.06 0.00 0.00 177.43 177.62 2r8i h LEU 124 N 0.65 0.00 -0.21 1.61 5.85 0.85 -0.47 115.31 123.59 2r8i h LEU 124 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2r8i h LEU 124 Cb 1.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.23 2r8i h LEU 124 CO 0.13 0.09 -0.70 1.23 -0.34 0.00 0.00 178.44 178.85 2r8i h GLY 125 N 0.94 0.90 1.39 3.75 0.00 -0.44 -2.41 103.07 107.20 2r8i h GLY 125 Ca -0.00 -1.19 -0.18 0.00 0.00 0.00 0.00 47.33 45.95 2r8i h GLY 125 CO 0.01 1.06 -0.64 1.41 0.00 0.00 0.00 176.54 178.38 2r8i h LEU 126 N 0.58 0.71 -0.78 3.11 3.38 -0.93 -0.56 115.31 120.82 2r8i h LEU 126 Ca -0.03 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.57 2r8i h LEU 126 Cb 1.33 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 2r8i h LEU 126 CO 0.15 1.17 0.48 -0.08 0.09 0.00 0.00 178.44 180.25 2r8i h GLU 127 N 0.45 0.89 -0.04 1.13 4.81 -1.10 0.93 114.58 121.66 2r8i h GLU 127 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2r8i h GLU 127 Cb 1.22 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2r8i h GLU 127 CO 0.12 0.59 -0.03 0.82 -0.73 0.00 0.00 179.01 179.78 2r8i h ILE 128 N 0.92 1.37 0.58 2.32 2.04 -1.22 -1.61 117.51 121.90 2r8i h ILE 128 Ca 0.33 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2r8i h ILE 128 Cb 0.08 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2r8i h ILE 128 CO -0.14 0.31 -0.37 0.11 0.00 0.00 0.00 178.15 178.06 2r8i h LYS 129 N -0.35 -0.88 -0.91 2.37 1.57 -0.87 -1.50 116.57 116.01 2r8i h LYS 129 Ca 0.01 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.07 2r8i h LYS 129 Cb 0.52 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 32.90 2r8i h LYS 129 CO 0.01 -0.58 0.42 -0.97 -0.57 0.00 0.00 179.45 177.76 2r8i h ASN 130 N -0.91 0.38 -0.38 0.86 -0.73 -0.88 -0.82 115.58 113.09 2r8i h ASN 130 Ca -0.07 0.15 -0.13 0.00 1.87 0.00 0.00 56.30 58.12 2r8i h ASN 130 Cb 0.74 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 2r8i h ASN 130 CO 0.06 0.02 -0.24 0.50 -0.37 0.00 0.00 177.43 177.40 2r8i h LYS 131 N 0.43 0.89 -0.19 6.67 1.63 -0.92 -1.13 116.57 123.95 2r8i h LYS 131 Ca 0.57 -0.38 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 2r8i h LYS 131 Cb 1.06 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2r8i h LYS 131 CO -0.51 1.03 -0.11 0.82 -3.45 0.00 0.00 179.45 177.23 2r8i h ILE 132 N 0.77 1.31 -0.31 2.00 2.04 -0.18 -0.89 117.51 122.26 2r8i h ILE 132 Ca 0.10 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.79 2r8i h ILE 132 Cb 0.80 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 2r8i h ILE 132 CO 0.07 0.36 0.13 0.25 0.00 0.00 0.00 178.15 178.96 2r8i h LEU 133 N 0.10 0.17 0.03 1.44 5.85 -1.18 0.13 115.31 121.84 2r8i h LEU 133 Ca 0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2r8i h LEU 133 Cb 0.61 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2r8i h LEU 133 CO 0.03 0.13 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.13 2r8i h GLU 134 N 0.28 -0.10 0.00 1.25 4.81 -1.11 0.52 114.58 120.23 2r8i h GLU 134 Ca 0.13 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 2r8i h GLU 134 Cb 0.08 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2r8i h GLU 134 CO -0.12 -0.07 -0.91 0.87 -0.73 0.00 0.00 179.01 178.05 2r8i h LYS 135 N -0.11 0.00 0.00 1.92 1.57 -0.98 -3.38 116.57 115.59 2r8i h LYS 135 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2r8i h LYS 135 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2r8i h LYS 135 CO -0.04 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 179.85 2r8i n GLU 136 N -3.19 0.41 -3.64 3.15 -0.58 0.42 -5.02 120.64 112.19 2r8i n GLU 136 Ca -0.02 -0.22 -0.24 0.00 -0.42 0.00 0.00 57.16 56.26 2r8i n GLU 136 Cb 0.84 -0.67 0.07 0.00 -0.57 0.00 0.00 31.44 31.11 2r8i n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2r8i n LYS 137 N -0.12 -7.23 -4.41 3.49 5.02 0.18 -4.97 118.16 110.12 2r8i n LYS 137 Ca 0.00 0.78 -0.31 0.00 -2.02 0.00 0.00 58.31 56.76 2r8i n LYS 137 Cb 0.09 -5.78 -0.16 0.00 -0.02 0.00 0.00 35.03 29.15 2r8i n LYS 137 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2r8i s ILE 138 N -3.34 1.84 0.23 -0.18 1.01 -1.24 -4.90 121.20 114.62 2r8i s ILE 138 Ca 0.51 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 60.09 2r8i s ILE 138 Cb -0.23 -1.66 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 2r8i s ILE 138 CO 0.75 0.51 0.79 0.42 0.00 0.00 0.00 174.94 177.41 2r8i s THR 139 N 1.05 4.43 0.17 2.92 -4.23 -1.26 -3.34 115.64 115.38 2r8i s THR 139 Ca -0.03 1.53 0.01 0.00 -1.18 0.00 0.00 61.69 62.01 2r8i s THR 139 Cb -0.14 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.68 2r8i s THR 139 CO -0.05 0.29 0.04 0.68 -0.54 0.00 0.00 174.62 175.03 2r8i s VAL 140 N -1.43 0.45 -0.07 2.29 -7.23 -1.26 -2.16 120.40 110.99 2r8i s VAL 140 Ca 0.42 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 2r8i s VAL 140 Cb -0.19 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2r8i s VAL 140 CO 0.23 -0.40 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.58 2r8i s THR 141 N -3.82 2.95 -0.06 5.32 2.01 -0.14 -3.66 115.64 118.25 2r8i s THR 141 Ca 0.26 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2r8i s THR 141 Cb 0.07 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 2r8i s THR 141 CO 0.05 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.74 2r8i s VAL 142 N -0.40 3.24 -0.06 3.82 1.01 -0.07 -1.49 120.40 126.45 2r8i s VAL 142 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2r8i s VAL 142 Cb -0.12 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2r8i s VAL 142 CO 0.02 0.59 -0.12 -0.83 0.00 0.00 0.00 175.10 174.76 2r8i s GLY 143 N -0.71 0.78 -0.03 4.51 0.00 -0.10 -1.27 107.32 110.51 2r8i s GLY 143 Ca 0.11 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.46 2r8i s GLY 143 CO 0.01 0.08 -0.19 -0.42 0.00 0.00 0.00 173.10 172.58 2r8i s ILE 144 N 0.60 1.50 0.03 0.90 1.01 -0.06 -0.03 121.20 125.14 2r8i s ILE 144 Ca -0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 2r8i s ILE 144 Cb -0.15 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.06 2r8i s ILE 144 CO 0.03 0.43 0.15 -0.24 0.00 0.00 0.00 174.94 175.31 2r8i n SER 145 N 2.87 -0.25 0.18 3.58 2.88 -0.78 -0.19 113.62 121.91 2r8i n SER 145 Ca -0.16 -1.13 0.04 0.00 -1.33 0.00 0.00 58.87 56.28 2r8i n SER 145 Cb 0.53 0.40 0.34 0.00 -0.75 0.00 0.00 64.21 64.74 2r8i n SER 145 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2r8i h LYS 146 N 0.00 0.00 -3.83 -1.46 3.64 -1.75 -0.11 116.57 113.06 2r8i h LYS 146 Ca -0.04 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 2r8i h LYS 146 Cb 0.17 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.90 2r8i h LYS 146 CO 0.05 0.40 -0.19 0.54 -2.27 0.00 0.00 179.45 177.99 2r8i s ASN 147 N -6.63 0.09 0.18 4.20 2.20 -1.26 -4.48 114.94 109.25 2r8i s ASN 147 Ca -0.01 -1.08 -0.15 0.00 -0.94 0.00 0.00 52.86 50.68 2r8i s ASN 147 Cb 0.12 0.58 0.15 0.00 -2.00 0.00 0.00 41.25 40.10 2r8i s ASN 147 CO 0.70 -1.14 1.68 0.11 -2.94 0.00 0.00 177.10 175.51 2r8i h LYS 148 N 2.28 0.07 0.36 3.55 1.57 -1.91 0.21 116.57 122.69 2r8i h LYS 148 Ca -0.28 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2r8i h LYS 148 Cb 1.25 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2r8i h LYS 148 CO 0.38 0.04 -0.37 0.28 -0.57 0.00 0.00 179.45 179.22 2r8i h VAL 149 N 0.07 0.25 0.00 0.50 2.07 -1.97 -0.70 116.25 116.47 2r8i h VAL 149 Ca 0.23 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 2r8i h VAL 149 Cb 0.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2r8i h VAL 149 CO -0.41 0.00 -0.29 -0.26 0.02 0.00 0.00 177.57 176.63 2r8i h PHE 150 N -0.75 0.00 -0.44 1.57 -1.00 -1.93 0.91 116.94 115.30 2r8i h PHE 150 Ca -0.02 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.62 2r8i h PHE 150 Cb 0.68 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 2r8i h PHE 150 CO -0.21 0.29 -0.28 0.00 -1.61 0.00 0.00 178.31 176.50 2r8i h ALA 151 N 1.71 0.67 -0.24 2.45 0.00 -0.72 0.67 119.26 123.81 2r8i h ALA 151 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2r8i h ALA 151 Cb 0.62 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2r8i h ALA 151 CO 0.04 0.67 -0.17 -0.22 0.00 0.00 0.00 179.25 179.57 2r8i h LYS 152 N 0.81 0.53 -0.94 0.00 3.64 -0.53 -1.91 116.57 118.18 2r8i h LYS 152 Ca 0.09 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2r8i h LYS 152 Cb 0.86 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 2r8i h LYS 152 CO 0.08 0.83 0.61 0.82 -2.27 0.00 0.00 179.45 179.51 2r8i h ILE 153 N 0.24 1.12 -0.90 2.00 2.04 -0.70 -0.70 117.51 120.60 2r8i h ILE 153 Ca 0.05 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2r8i h ILE 153 Cb 0.70 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2r8i h ILE 153 CO 0.05 0.21 0.59 0.00 0.00 0.00 0.00 178.15 179.00 2r8i h ALA 154 N 1.41 1.14 -0.53 1.87 0.00 -0.64 -1.80 119.26 120.71 2r8i h ALA 154 Ca 0.39 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2r8i h ALA 154 Cb 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2r8i h ALA 154 CO -0.14 0.55 0.10 0.00 0.00 0.00 0.00 179.25 179.76 2r8i h ALA 155 N 1.33 0.70 -0.69 0.00 0.00 -0.46 -2.58 119.26 117.55 2r8i h ALA 155 Ca 0.33 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2r8i h ALA 155 Cb -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 2r8i h ALA 155 CO -0.07 0.41 0.46 -0.44 0.00 0.00 0.00 179.25 179.61 2r8i h ASP 156 N 0.74 0.60 1.20 0.00 3.32 -0.46 -1.13 116.42 120.70 2r8i h ASP 156 Ca 0.16 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2r8i h ASP 156 Cb 0.37 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2r8i h ASP 156 CO 0.01 0.38 -0.32 0.24 -1.72 0.00 0.00 179.24 177.83 2r8i h MET 157 N 0.68 0.00 0.00 3.56 2.86 -0.97 -3.33 114.93 117.72 2r8i h MET 157 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2r8i h MET 157 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2r8i h MET 157 CO -0.10 0.32 -1.67 0.00 1.06 0.00 0.00 176.91 176.51 2r8i n ALA 158 N -2.22 3.40 -1.75 6.32 0.00 -0.58 -5.00 120.51 120.68 2r8i n ALA 158 Ca 0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 2r8i n ALA 158 Cb 0.55 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 19.28 2r8i n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2r8i s LYS 159 N -3.36 2.96 0.52 0.00 -2.85 -0.53 -3.76 119.74 112.72 2r8i s LYS 159 Ca -0.03 1.91 -0.03 0.00 -1.00 0.00 0.00 55.97 56.82 2r8i s LYS 159 Cb 0.15 -1.98 -0.00 0.00 -2.06 0.00 0.00 37.83 33.94 2r8i s LYS 159 CO 0.89 -1.24 0.79 -1.25 0.10 0.00 0.00 175.35 174.65 2r8i s PRO 160 N -3.25 3.08 -1.27 1.78 0.04 -1.26 -4.94 135.00 129.18 2r8i s PRO 160 Ca 0.77 -0.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.39 2r8i s PRO 160 Cb -0.33 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 31.85 2r8i s PRO 160 CO 0.36 -0.45 0.58 -1.71 0.04 0.00 0.00 177.00 175.82 2r8i n ASN 161 N -2.34 -3.35 -1.71 6.66 5.15 -1.26 -4.95 115.26 113.47 2r8i n ASN 161 Ca 0.03 -1.27 -0.02 0.00 -0.60 0.00 0.00 54.58 52.71 2r8i n ASN 161 Cb 0.57 -1.84 -0.01 0.00 -0.53 0.00 0.00 39.78 37.97 2r8i n ASN 161 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2r8i n GLY 162 N -2.14 4.04 3.64 8.20 0.00 -1.24 -4.96 105.19 112.74 2r8i n GLY 162 Ca -0.15 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 2r8i n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2r8i s ILE 163 N -1.63 0.00 -0.13 -0.61 2.07 -1.25 -0.89 121.20 118.76 2r8i s ILE 163 Ca 0.02 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.15 2r8i s ILE 163 Cb 0.00 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.63 2r8i s ILE 163 CO 0.01 0.00 0.33 -0.75 -1.91 0.00 0.00 174.94 172.62 2r8i s LYS 164 N 1.33 0.37 -0.18 3.50 2.20 -0.40 -4.95 119.74 121.61 2r8i s LYS 164 Ca -0.08 0.51 -0.06 0.00 -0.36 0.00 0.00 55.97 55.98 2r8i s LYS 164 Cb -0.05 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2r8i s LYS 164 CO -0.15 -0.07 0.03 0.08 -0.36 0.00 0.00 175.35 174.88 2r8i s VAL 165 N 0.44 4.50 -0.53 4.02 1.01 -1.26 -0.88 120.40 127.69 2r8i s VAL 165 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2r8i s VAL 165 Cb -0.04 -3.02 0.14 0.00 0.00 0.00 0.00 36.38 33.46 2r8i s VAL 165 CO -0.02 0.46 0.35 -0.63 0.00 0.00 0.00 175.10 175.26 2r8i s ILE 166 N 0.43 3.67 1.04 2.22 1.01 0.73 -4.96 121.20 125.34 2r8i s ILE 166 Ca 0.01 -2.44 -0.14 0.00 0.00 0.00 0.00 60.65 58.08 2r8i s ILE 166 Cb -0.13 -3.44 0.21 0.00 0.01 0.00 0.00 42.46 39.11 2r8i s ILE 166 CO 0.01 -0.80 1.12 1.51 0.00 0.00 0.00 174.94 176.78 2r8i s ASP 167 N 1.44 2.31 0.64 3.58 -4.77 -1.26 -4.24 116.67 114.36 2r8i s ASP 167 Ca 0.12 0.94 0.38 0.00 -3.30 0.00 0.00 52.55 50.69 2r8i s ASP 167 Cb -0.22 -1.44 2.18 0.00 -1.09 0.00 0.00 42.92 42.35 2r8i s ASP 167 CO -0.04 -3.30 2.33 0.44 0.70 0.00 0.00 175.17 175.30 2r8i h ASP 168 N -2.01 0.00 0.62 2.11 5.19 -1.99 -1.45 116.42 118.89 2r8i h ASP 168 Ca -0.51 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.63 2r8i h ASP 168 Cb 1.32 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 2r8i h ASP 168 CO 0.52 0.00 -1.47 -0.08 -3.12 0.00 0.00 179.24 175.09 2r8i h GLU 169 N 0.00 0.06 0.02 3.56 4.81 -2.01 -3.32 114.58 117.70 2r8i h GLU 169 Ca -0.00 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 58.92 2r8i h GLU 169 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2r8i h GLU 169 CO 0.00 0.80 -0.97 1.49 -0.73 0.00 0.00 179.01 179.60 2r8i h GLU 170 N 0.02 0.06 0.11 1.92 4.22 -1.70 -3.24 114.58 115.97 2r8i h GLU 170 Ca -0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.15 2r8i h GLU 170 Cb 1.94 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2r8i h GLU 170 CO 0.11 0.97 -0.05 0.28 -2.18 0.00 0.00 179.01 178.14 2r8i h VAL 171 N 0.02 0.92 -0.98 0.32 2.07 -1.44 -1.78 116.25 115.38 2r8i h VAL 171 Ca -0.03 -0.12 0.18 0.00 0.82 0.00 0.00 66.70 67.56 2r8i h VAL 171 Cb 1.67 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 2r8i h VAL 171 CO 0.13 0.03 0.61 0.11 0.02 0.00 0.00 177.57 178.48 2r8i h LYS 172 N -0.21 0.70 0.01 1.57 1.57 -1.65 -0.10 116.57 118.47 2r8i h LYS 172 Ca -0.02 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 2r8i h LYS 172 Cb 0.16 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2r8i h LYS 172 CO 0.03 0.46 -0.98 0.07 -0.57 0.00 0.00 179.45 178.46 2r8i h ARG 173 N 0.72 0.03 -0.23 3.15 0.11 -1.54 -3.26 114.38 113.36 2r8i h ARG 173 Ca 0.54 -0.05 -0.13 0.00 0.10 0.00 0.00 59.98 60.45 2r8i h ARG 173 Cb 0.90 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.99 2r8i h ARG 173 CO -0.32 0.99 -0.38 -0.07 0.10 0.00 0.00 179.97 180.28 2r8i h LEU 174 N 0.01 0.55 -1.39 0.08 3.38 -0.24 0.34 115.31 118.05 2r8i h LEU 174 Ca -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2r8i h LEU 174 Cb 1.72 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2r8i h LEU 174 CO 0.13 0.88 0.00 -0.38 0.09 0.00 0.00 178.44 179.17 2r8i n ILE 175 N -4.04 1.03 -0.06 1.22 5.41 -0.20 0.09 119.36 122.80 2r8i n ILE 175 Ca -0.01 0.71 -0.08 0.00 1.00 0.00 0.00 62.75 64.36 2r8i n ILE 175 Cb 0.50 -1.70 -0.07 0.00 -0.71 0.00 0.00 39.64 37.66 2r8i n ILE 175 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2r8i n ARG 176 N -2.25 1.08 -0.05 0.38 0.63 -0.62 -0.46 116.66 115.36 2r8i n ARG 176 Ca -0.01 0.05 -0.01 0.00 -0.92 0.00 0.00 57.85 56.96 2r8i n ARG 176 Cb 0.05 -1.27 -0.16 0.00 0.45 0.00 0.00 32.46 31.53 2r8i n ARG 176 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2r8i n GLU 177 N -2.70 0.67 -2.12 -0.14 4.07 0.11 -4.85 120.64 115.68 2r8i n GLU 177 Ca -0.21 -0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.40 2r8i n GLU 177 Cb 0.79 -1.54 -0.03 0.00 -0.06 0.00 0.00 31.44 30.60 2r8i n GLU 177 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2r8i s LEU 178 N -5.11 4.35 0.09 4.31 1.98 0.11 -4.94 118.68 119.47 2r8i s LEU 178 Ca -0.09 2.30 -0.31 0.00 -2.89 0.00 0.00 54.13 53.15 2r8i s LEU 178 Cb 0.09 -3.57 -0.10 0.00 0.66 0.00 0.00 46.19 43.27 2r8i s LEU 178 CO 0.86 -0.74 1.89 -0.67 -1.89 0.00 0.00 176.35 175.81 2r8i n ASP 179 N 4.79 4.10 0.25 3.68 -0.08 -1.26 -4.14 116.55 123.88 2r8i n ASP 179 Ca 0.13 0.96 0.16 0.00 -1.51 0.00 0.00 54.79 54.52 2r8i n ASP 179 Cb 0.42 -1.54 0.84 0.00 2.34 0.00 0.00 41.12 43.18 2r8i n ASP 179 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2r8i h ILE 180 N 5.03 0.00 0.00 5.18 2.10 -0.88 -0.48 117.51 128.47 2r8i h ILE 180 Ca -0.48 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.35 2r8i h ILE 180 Cb 1.23 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 2r8i h ILE 180 CO 0.95 0.00 -0.54 0.00 -1.08 0.00 0.00 178.15 177.47 2r8i h ALA 181 N 1.86 1.10 0.00 0.18 0.00 -1.88 -2.62 119.26 117.90 2r8i h ALA 181 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2r8i h ALA 181 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2r8i h ALA 181 CO 0.00 0.68 0.00 -0.25 0.00 0.00 0.00 179.25 179.68 2r8i n ASP 182 N -3.89 0.00 -4.70 0.00 8.00 -0.19 -4.68 116.55 111.10 2r8i n ASP 182 Ca -0.01 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 2r8i n ASP 182 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 2r8i n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r8i s VAL 183 N -2.00 4.87 0.06 2.53 1.01 -0.99 -4.95 120.40 120.93 2r8i s VAL 183 Ca 0.29 1.92 -0.35 0.00 0.00 0.00 0.00 61.98 63.84 2r8i s VAL 183 Cb 0.13 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 2r8i s VAL 183 CO 0.23 0.10 1.62 -2.65 0.00 0.00 0.00 175.10 174.40 2r8i n PRO 184 N 4.41 1.92 -0.00 2.72 -0.02 -1.26 -1.62 135.00 141.15 2r8i n PRO 184 Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2r8i n PRO 184 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2r8i n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r8i n GLY 185 N 3.55 0.32 3.22 -1.23 0.00 -1.26 -5.03 105.19 104.76 2r8i n GLY 185 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2r8i n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8i s ILE 186 N -2.01 4.23 0.04 -0.61 -1.09 -0.64 -4.97 121.20 116.16 2r8i s ILE 186 Ca 0.00 -1.74 -0.00 0.00 -2.23 0.00 0.00 60.65 56.68 2r8i s ILE 186 Cb 0.00 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2r8i s ILE 186 CO 0.00 -0.75 0.05 0.61 -1.23 0.00 0.00 174.94 173.62 2r8i n GLY 187 N 4.92 0.54 0.36 6.18 0.00 -1.26 -4.75 105.19 111.17 2r8i n GLY 187 Ca -0.08 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.06 2r8i n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2r8i h ASN 188 N -0.04 0.83 -0.14 1.61 -0.26 -1.97 0.59 115.58 116.20 2r8i h ASN 188 Ca -0.02 0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 2r8i h ASN 188 Cb 0.06 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 2r8i h ASN 188 CO 0.02 0.53 -0.39 0.40 -1.06 0.00 0.00 177.43 176.93 2r8i h ILE 189 N 0.94 1.36 -0.26 2.81 2.04 -1.93 -0.34 117.51 122.12 2r8i h ILE 189 Ca 0.37 -1.68 -0.13 0.00 1.00 0.00 0.00 64.86 64.41 2r8i h ILE 189 Cb 0.22 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2r8i h ILE 189 CO -0.13 0.51 -0.39 0.74 0.00 0.00 0.00 178.15 178.87 2r8i h THR 190 N 0.13 1.29 0.38 -0.27 2.02 -1.86 -3.19 112.91 111.42 2r8i h THR 190 Ca -0.01 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 2r8i h THR 190 Cb 1.01 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2r8i h THR 190 CO 0.08 0.49 -0.18 0.00 0.37 0.00 0.00 175.52 176.28 2r8i h ALA 191 N 1.07 -0.51 0.00 6.16 0.00 -0.88 -2.17 119.26 122.93 2r8i h ALA 191 Ca 0.05 -0.17 -0.48 0.00 0.00 0.00 0.00 54.91 54.30 2r8i h ALA 191 Cb 0.90 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2r8i h ALA 191 CO 0.08 -0.68 2.84 -1.91 0.00 0.00 0.00 179.25 179.58 2r8i n GLU 192 N -5.22 2.77 0.00 0.00 4.07 -0.14 -1.40 120.64 120.72 2r8i n GLU 192 Ca -0.10 -1.71 0.00 0.00 -0.06 0.00 0.00 57.16 55.28 2r8i n GLU 192 Cb 0.27 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 2r8i n GLU 192 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2r8i n LYS 193 N 3.72 0.00 0.17 5.31 4.81 -1.15 -4.86 118.16 126.16 2r8i n LYS 193 Ca 0.59 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 58.09 2r8i n LYS 193 Cb 0.25 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.37 2r8i n LYS 193 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2r8i h LEU 194 N 0.00 0.00 -0.30 3.14 3.38 -0.56 -3.22 115.31 117.75 2r8i h LEU 194 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2r8i h LEU 194 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2r8i h LEU 194 CO 0.00 0.32 -0.04 0.11 0.09 0.00 0.00 178.44 178.93 2r8i h LYS 195 N 0.00 0.56 -0.02 1.13 6.56 -1.65 0.27 116.57 123.41 2r8i h LYS 195 Ca -0.00 -0.20 0.01 0.00 -1.06 0.00 0.00 60.65 59.40 2r8i h LYS 195 Cb 1.25 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2r8i h LYS 195 CO 0.04 0.73 0.05 0.87 -2.06 0.00 0.00 179.45 179.08 2r8i h LYS 196 N 0.34 0.00 0.00 3.15 1.57 -1.86 0.30 116.57 120.06 2r8i h LYS 196 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2r8i h LYS 196 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2r8i h LYS 196 CO 0.02 0.00 -0.90 1.28 -0.57 0.00 0.00 179.45 179.29 2r8i n LEU 197 N -3.42 0.65 0.00 2.94 4.77 -0.88 -4.97 117.00 116.09 2r8i n LEU 197 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2r8i n LEU 197 Cb 0.13 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2r8i n LEU 197 CO 0.23 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2r8i n GLY 198 N 1.43 0.99 3.26 -0.72 0.00 0.10 -5.06 105.19 105.18 2r8i n GLY 198 Ca 0.03 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2r8i n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8i s ILE 199 N -2.00 3.60 0.00 -0.61 1.01 0.83 -4.90 121.20 119.13 2r8i s ILE 199 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.50 2r8i s ILE 199 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2r8i s ILE 199 CO 0.00 -0.13 0.00 0.59 0.00 0.00 0.00 174.94 175.40 2r8i n ASN 200 N 4.77 1.83 -4.07 3.58 4.13 -1.26 -4.01 115.26 120.23 2r8i n ASN 200 Ca -0.13 -0.30 -0.13 0.00 1.68 0.00 0.00 54.58 55.71 2r8i n ASN 200 Cb 0.45 0.96 -0.11 0.00 -1.54 0.00 0.00 39.78 39.53 2r8i n ASN 200 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2r8i s LYS 201 N -1.32 0.56 0.28 3.52 -0.14 -1.26 -0.15 119.74 121.23 2r8i s LYS 201 Ca 0.00 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 2r8i s LYS 201 Cb 0.00 -0.29 0.63 0.00 -1.68 0.00 0.00 37.83 36.49 2r8i s LYS 201 CO 0.00 0.05 1.78 -0.07 -0.76 0.00 0.00 175.35 176.34 2r8i h LEU 202 N 4.35 0.71 -1.63 3.17 3.38 -1.71 -0.94 115.31 122.63 2r8i h LEU 202 Ca -0.36 0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2r8i h LEU 202 Cb 1.20 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2r8i h LEU 202 CO 0.43 0.29 0.40 1.62 0.09 0.00 0.00 178.44 181.26 2r8i h VAL 203 N 0.74 0.90 -0.06 1.22 3.04 -1.11 -1.85 116.25 119.14 2r8i h VAL 203 Ca 0.52 -0.14 0.02 0.00 -1.01 0.00 0.00 66.70 66.09 2r8i h VAL 203 Cb 0.74 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2r8i h VAL 203 CO -0.36 0.08 0.07 0.44 -1.01 0.00 0.00 177.57 176.78 2r8i h ASP 204 N 0.42 0.00 0.58 3.17 3.32 -1.45 -1.36 116.42 121.10 2r8i h ASP 204 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2r8i h ASP 204 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2r8i h ASP 204 CO -0.08 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.79 2r8i n THR 205 N -3.94 0.90 0.25 0.35 -2.24 -0.69 -2.52 114.28 106.38 2r8i n THR 205 Ca -0.01 0.32 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 2r8i n THR 205 Cb 0.16 -1.24 0.16 0.00 -2.10 0.00 0.00 70.33 67.31 2r8i n THR 205 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2r8i h LEU 206 N 0.00 0.00 -3.75 3.22 3.38 -1.42 -3.33 115.31 113.42 2r8i h LEU 206 Ca 0.00 -0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2r8i h LEU 206 Cb 0.29 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.79 2r8i h LEU 206 CO 0.00 0.00 0.30 -1.54 0.09 0.00 0.00 178.44 177.29 2r8i n SER 207 N -2.92 4.21 -4.06 -0.43 3.41 -1.05 -4.94 113.62 107.83 2r8i n SER 207 Ca 0.03 -3.73 -0.16 0.00 -0.26 0.00 0.00 58.87 54.75 2r8i n SER 207 Cb 0.52 -0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 2r8i n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2r8i s ILE 208 N -3.72 0.70 -0.36 -1.33 -1.09 -1.25 -5.11 121.20 109.03 2r8i s ILE 208 Ca 0.54 -0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 57.84 2r8i s ILE 208 Cb 0.45 -0.68 -0.00 0.00 -1.58 0.00 0.00 42.46 40.66 2r8i s ILE 208 CO 0.04 -0.12 1.50 -1.61 -1.23 0.00 0.00 174.94 173.52 2r8i s GLU 209 N -1.04 3.58 0.06 2.79 0.41 -1.26 -4.91 118.70 118.32 2r8i s GLU 209 Ca -0.03 1.14 -0.08 0.00 -0.41 0.00 0.00 54.97 55.59 2r8i s GLU 209 Cb -0.07 -4.05 0.01 0.00 -1.78 0.00 0.00 34.13 28.24 2r8i s GLU 209 CO 0.01 -1.55 0.47 0.34 -0.49 0.00 0.00 175.26 174.04 2r8i n PHE 210 N 8.95 -0.09 -0.34 1.61 7.35 -1.26 0.74 117.46 134.41 2r8i n PHE 210 Ca 0.18 0.38 0.17 0.00 -0.76 0.00 0.00 57.45 57.42 2r8i n PHE 210 Cb 0.47 -0.55 0.39 0.00 0.35 0.00 0.00 39.48 40.14 2r8i n PHE 210 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2r8i h ASP 211 N 0.00 0.67 -0.16 -2.13 5.19 -1.99 0.43 116.42 118.43 2r8i h ASP 211 Ca 0.07 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 2r8i h ASP 211 Cb 0.14 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 2r8i h ASP 211 CO -0.29 0.13 -0.04 0.50 -3.12 0.00 0.00 179.24 176.41 2r8i h LYS 212 N 0.59 0.32 -0.44 3.56 3.64 -0.07 -2.41 116.57 121.76 2r8i h LYS 212 Ca 0.63 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.92 2r8i h LYS 212 Cb 1.21 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2r8i h LYS 212 CO -0.45 0.59 0.22 1.25 -2.27 0.00 0.00 179.45 178.80 2r8i h LEU 213 N 0.02 0.32 -0.65 5.20 5.85 -0.33 -2.48 115.31 123.25 2r8i h LEU 213 Ca 0.04 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2r8i h LEU 213 Cb 0.48 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2r8i h LEU 213 CO 0.02 0.23 0.38 0.50 -0.34 0.00 0.00 178.44 179.23 2r8i h LYS 214 N 0.44 0.71 0.00 1.25 3.64 -0.28 -1.61 116.57 120.73 2r8i h LYS 214 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2r8i h LYS 214 Cb 0.09 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2r8i h LYS 214 CO -0.13 0.47 0.00 0.78 -2.27 0.00 0.00 179.45 178.30 2r8i h GLY 215 N 0.73 0.00 0.46 5.01 0.00 -0.99 0.28 103.07 108.56 2r8i h GLY 215 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.23 2r8i h GLY 215 CO -0.14 0.00 -2.12 -0.13 0.00 0.00 0.00 176.54 174.15 2r8i n MET 216 N -3.01 0.73 0.00 4.80 0.00 -0.67 -4.66 117.12 114.31 2r8i n MET 216 Ca -0.01 0.23 0.00 0.00 -0.00 0.00 0.00 57.70 57.93 2r8i n MET 216 Cb 0.22 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.78 2r8i n MET 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 2r8i n ILE 217 N -3.43 0.32 0.00 1.12 -5.35 -0.79 -5.06 119.36 106.18 2r8i n ILE 217 Ca -0.36 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 2r8i n ILE 217 Cb 1.03 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.92 2r8i n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r8i n GLY 218 N -0.16 0.13 0.08 3.28 0.00 0.98 -4.42 105.19 105.07 2r8i n GLY 218 Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 2r8i n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2r8i h GLU 219 N 0.00 0.11 0.26 1.61 4.81 -1.91 -1.82 114.58 117.65 2r8i h GLU 219 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2r8i h GLU 219 Cb 0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2r8i h GLU 219 CO 0.00 0.07 -0.26 0.00 -0.73 0.00 0.00 179.01 178.09 2r8i h ALA 220 N 1.06 -0.55 -0.71 2.92 0.00 -1.95 -0.58 119.26 119.45 2r8i h ALA 220 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2r8i h ALA 220 Cb 0.01 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2r8i h ALA 220 CO -0.04 -0.84 0.47 -0.22 0.00 0.00 0.00 179.25 178.62 2r8i h LYS 221 N -0.56 0.81 0.38 0.00 1.63 -1.77 -0.68 116.57 116.39 2r8i h LYS 221 Ca -0.01 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2r8i h LYS 221 Cb 0.51 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2r8i h LYS 221 CO -0.06 0.54 -0.23 0.00 -3.45 0.00 0.00 179.45 176.25 2r8i h ALA 222 N 1.59 -1.08 -0.51 5.00 0.00 -0.51 -1.52 119.26 122.24 2r8i h ALA 222 Ca 0.29 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2r8i h ALA 222 Cb 0.09 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2r8i h ALA 222 CO -0.08 -1.06 0.35 0.87 0.00 0.00 0.00 179.25 179.33 2r8i h LYS 223 N -0.57 0.23 0.72 0.00 1.57 -0.97 -1.49 116.57 116.05 2r8i h LYS 223 Ca -0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2r8i h LYS 223 Cb 0.46 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2r8i h LYS 223 CO 0.05 0.15 -0.35 -0.92 -0.57 0.00 0.00 179.45 177.81 2r8i h TYR 224 N 0.23 -0.90 -0.62 -1.35 3.20 -0.86 -0.59 116.97 116.08 2r8i h TYR 224 Ca 0.24 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2r8i h TYR 224 Cb 0.63 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2r8i h TYR 224 CO -0.00 -0.55 0.09 -0.07 -1.64 0.00 0.00 178.16 175.99 2r8i h LEU 225 N -0.99 0.96 -0.14 2.82 3.38 -0.75 -2.61 115.31 117.98 2r8i h LEU 225 Ca -0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2r8i h LEU 225 Cb 0.75 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2r8i h LEU 225 CO 0.16 0.97 0.08 0.40 0.09 0.00 0.00 178.44 180.14 2r8i h ILE 226 N 0.95 1.08 0.00 1.22 2.04 -1.24 -0.98 117.51 120.58 2r8i h ILE 226 Ca 0.19 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2r8i h ILE 226 Cb 0.42 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2r8i h ILE 226 CO 0.01 0.07 -0.04 0.77 0.00 0.00 0.00 178.15 178.97 2r8i h SER 227 N 0.14 0.00 0.37 1.72 4.64 -1.00 0.12 113.55 119.55 2r8i h SER 227 Ca 0.05 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.05 2r8i h SER 227 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2r8i h SER 227 CO -0.01 0.04 -1.59 -0.07 -0.87 0.00 0.00 176.83 174.33 2r8i h LEU 228 N 0.00 0.47 -0.45 5.97 3.38 -1.03 0.93 115.31 124.58 2r8i h LEU 228 Ca -0.00 -0.66 -0.17 0.00 0.09 0.00 0.00 57.88 57.13 2r8i h LEU 228 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2r8i h LEU 228 CO 0.00 1.55 -0.75 0.00 0.09 0.00 0.00 178.44 179.34 2r8i h ALA 229 N 0.38 0.67 -0.11 1.53 0.00 -0.65 -2.51 119.26 118.56 2r8i h ALA 229 Ca -0.27 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2r8i h ALA 229 Cb 2.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2r8i h ALA 229 CO 0.17 0.83 0.00 -2.13 0.00 0.00 0.00 179.25 178.12 2r8i n ARG 230 N -3.76 1.29 -4.02 0.00 0.63 0.38 -4.89 116.66 106.29 2r8i n ARG 230 Ca -0.03 -0.45 -0.30 0.00 -0.92 0.00 0.00 57.85 56.15 2r8i n ARG 230 Cb 0.72 -1.16 -0.01 0.00 0.45 0.00 0.00 32.46 32.46 2r8i n ARG 230 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2r8i n ASP 231 N -0.19 -2.45 0.00 6.15 4.64 -0.95 -4.86 116.55 118.90 2r8i n ASP 231 Ca 0.07 -0.94 0.00 0.00 -1.38 0.00 0.00 54.79 52.54 2r8i n ASP 231 Cb 0.12 -3.21 0.00 0.00 -1.04 0.00 0.00 41.12 36.99 2r8i n ASP 231 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2r8i n GLU 232 N -4.45 -0.51 -1.98 -0.67 1.02 0.30 -5.01 120.64 109.34 2r8i n GLU 232 Ca -0.09 -0.55 -0.42 0.00 -0.02 0.00 0.00 57.16 56.08 2r8i n GLU 232 Cb 0.58 -0.95 -0.02 0.00 -0.02 0.00 0.00 31.44 31.03 2r8i n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2r8i s TYR 233 N -0.10 3.01 -0.41 -0.32 5.04 0.37 -4.92 117.35 120.03 2r8i s TYR 233 Ca 0.00 0.93 0.09 0.00 -2.44 0.00 0.00 57.07 55.65 2r8i s TYR 233 Cb 0.00 -3.86 0.38 0.00 0.35 0.00 0.00 41.96 38.83 2r8i s TYR 233 CO 0.00 -2.88 1.32 -1.71 -1.34 0.00 0.00 175.55 170.94 2r8i n ASN 234 N 2.65 -1.91 -4.75 4.32 5.15 -1.26 -4.89 115.26 114.56 2r8i n ASN 234 Ca 0.08 -2.64 -0.41 0.00 -0.60 0.00 0.00 54.58 51.01 2r8i n ASN 234 Cb 0.40 1.12 -0.03 0.00 -0.53 0.00 0.00 39.78 40.74 2r8i n ASN 234 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2r8i s GLU 235 N 0.15 4.36 0.54 1.20 0.41 -1.26 -4.98 118.70 119.11 2r8i s GLU 235 Ca 0.22 2.16 -0.19 0.00 -0.41 0.00 0.00 54.97 56.75 2r8i s GLU 235 Cb 0.39 -3.12 -0.06 0.00 -1.78 0.00 0.00 34.13 29.55 2r8i s GLU 235 CO -0.08 -0.24 1.11 -1.25 -0.49 0.00 0.00 175.26 174.31 2r8i s PRO 236 N -0.94 3.42 -0.35 0.39 0.04 -1.26 -4.75 135.00 131.55 2r8i s PRO 236 Ca 0.53 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2r8i s PRO 236 Cb -0.39 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.14 2r8i s PRO 236 CO 0.46 -0.78 0.91 0.42 0.04 0.00 0.00 177.00 178.04 2r8i s ILE 237 N -1.84 4.63 0.01 0.56 1.09 -1.26 -5.02 121.20 119.38 2r8i s ILE 237 Ca 0.71 1.25 0.00 0.00 -1.10 0.00 0.00 60.65 61.51 2r8i s ILE 237 Cb -0.22 -4.29 -0.01 0.00 -1.06 0.00 0.00 42.46 36.87 2r8i s ILE 237 CO 0.26 -0.46 -0.02 0.00 -0.10 0.00 0.00 174.94 174.62 2r8i s ARG 238 N 3.35 0.22 -0.09 2.79 1.04 -1.26 -4.59 118.95 120.41 2r8i s ARG 238 Ca 0.37 -0.37 -0.30 0.00 -1.04 0.00 0.00 55.73 54.39 2r8i s ARG 238 Cb -0.13 0.01 -0.04 0.00 -2.04 0.00 0.00 34.95 32.75 2r8i s ARG 238 CO 0.17 -0.01 1.48 0.95 -0.04 0.00 0.00 175.30 177.84 2r8i s THR 239 N -0.84 3.86 0.33 4.99 -4.23 -1.20 -4.44 115.64 114.12 2r8i s THR 239 Ca -0.09 1.06 -0.19 0.00 -1.18 0.00 0.00 61.69 61.29 2r8i s THR 239 Cb -0.06 -3.68 -0.10 0.00 1.34 0.00 0.00 72.50 70.00 2r8i s THR 239 CO -0.00 -0.09 0.83 -0.13 -0.54 0.00 0.00 174.62 174.69 2r8i s ARG 240 N 3.68 4.20 -0.12 3.99 0.52 -1.26 -5.04 118.95 124.92 2r8i s ARG 240 Ca 0.65 0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 56.78 2r8i s ARG 240 Cb -0.29 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2r8i s ARG 240 CO 0.24 0.17 -0.05 0.08 0.02 0.00 0.00 175.30 175.75 2r8i s VAL 241 N -1.90 3.81 0.07 3.52 1.01 -1.26 -4.97 120.40 120.68 2r8i s VAL 241 Ca 0.54 -0.41 -0.36 0.00 0.00 0.00 0.00 61.98 61.75 2r8i s VAL 241 Cb -0.12 -2.63 -0.16 0.00 0.00 0.00 0.00 36.38 33.47 2r8i s VAL 241 CO 0.18 0.53 1.45 0.54 0.00 0.00 0.00 175.10 177.80 2r8i n ARG 242 N 3.05 1.45 -0.00 2.72 5.12 -1.26 -4.86 116.66 122.88 2r8i n ARG 242 Ca -0.18 0.52 0.03 0.00 -1.93 0.00 0.00 57.85 56.29 2r8i n ARG 242 Cb 0.53 -2.21 -0.03 0.00 -1.16 0.00 0.00 32.46 29.58 2r8i n ARG 242 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2r8i n LYS 243 N 3.12 4.83 -3.52 5.56 5.02 -1.26 -5.01 118.16 126.89 2r8i n LYS 243 Ca 0.19 -0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.30 2r8i n LYS 243 Cb 0.22 -0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 34.38 2r8i n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2r8i s SER 244 N -1.60 -0.64 0.00 4.39 1.04 -1.26 -3.69 113.70 111.93 2r8i s SER 244 Ca 0.02 0.68 -0.00 0.00 0.48 0.00 0.00 55.95 57.13 2r8i s SER 244 Cb 0.04 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 2r8i s SER 244 CO 0.23 -0.61 -0.00 -0.51 0.98 0.00 0.00 173.24 173.33 2r8i s ILE 245 N -1.26 0.01 0.08 -1.02 1.10 -0.12 -4.97 121.20 115.01 2r8i s ILE 245 Ca -0.10 -0.05 -0.08 0.00 -0.51 0.00 0.00 60.65 59.91 2r8i s ILE 245 Cb -0.00 -0.02 0.03 0.00 0.15 0.00 0.00 42.46 42.62 2r8i s ILE 245 CO 0.09 -0.02 0.40 0.61 -2.11 0.00 0.00 174.94 173.91 2r8i n GLY 246 N 3.01 1.05 3.59 1.50 0.00 -1.26 -0.38 105.19 112.69 2r8i n GLY 246 Ca -0.13 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 2r8i n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2r8i s ARG 247 N -2.02 0.78 -0.06 1.61 3.52 -0.51 -4.85 118.95 117.41 2r8i s ARG 247 Ca 0.09 0.98 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 2r8i s ARG 247 Cb -0.01 0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2r8i s ARG 247 CO 0.02 -0.10 -0.14 0.42 -0.81 0.00 0.00 175.30 174.69 2r8i s ILE 248 N 0.56 1.28 0.32 4.11 1.01 -1.26 -1.44 121.20 125.78 2r8i s ILE 248 Ca -0.02 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.16 2r8i s ILE 248 Cb -0.05 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 2r8i s ILE 248 CO -0.02 0.38 -0.12 0.68 0.00 0.00 0.00 174.94 175.86 2r8i s VAL 249 N 0.51 2.40 -0.13 2.92 -7.23 -0.17 -4.95 120.40 113.74 2r8i s VAL 249 Ca -0.13 -2.26 -0.06 0.00 -1.81 0.00 0.00 61.98 57.73 2r8i s VAL 249 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2r8i s VAL 249 CO 0.04 -0.28 0.08 -0.89 -0.31 0.00 0.00 175.10 173.73 2r8i s THR 250 N -2.55 4.94 0.41 5.32 2.01 -1.26 -1.82 115.64 122.69 2r8i s THR 250 Ca 0.32 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 2r8i s THR 250 Cb -0.01 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2r8i s THR 250 CO 0.16 0.56 0.74 -0.04 -0.69 0.00 0.00 174.62 175.35 2r8i s MET 251 N -0.47 3.67 0.11 4.92 -1.94 -1.14 -4.98 119.30 119.46 2r8i s MET 251 Ca 0.10 0.28 -0.16 0.00 -1.71 0.00 0.00 55.69 54.20 2r8i s MET 251 Cb -0.12 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 2r8i s MET 251 CO 0.02 -0.05 1.59 0.87 -0.01 0.00 0.00 175.02 177.43 2r8i h LYS 252 N 0.95 0.57 -6.18 2.03 1.57 -1.87 -3.45 116.57 110.20 2r8i h LYS 252 Ca -0.47 -0.16 -0.56 0.00 -1.87 0.00 0.00 60.65 57.59 2r8i h LYS 252 Cb 1.19 -0.07 -0.22 0.00 0.08 0.00 0.00 32.23 33.22 2r8i h LYS 252 CO 0.63 0.65 -0.83 1.03 -0.57 0.00 0.00 179.45 180.37 2r8i s ARG 253 N -5.18 1.13 0.56 3.15 0.52 -1.26 -4.70 118.95 113.17 2r8i s ARG 253 Ca -0.13 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 53.72 2r8i s ARG 253 Cb 0.09 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 2r8i s ARG 253 CO 0.76 0.32 1.16 -0.80 0.02 0.00 0.00 175.30 176.76 2r8i s ASN 254 N -1.92 5.54 0.18 0.23 0.02 -1.26 -4.91 114.94 112.81 2r8i s ASN 254 Ca 0.07 2.25 -0.22 0.00 -1.02 0.00 0.00 52.86 53.94 2r8i s ASN 254 Cb -0.10 -2.59 0.06 0.00 0.02 0.00 0.00 41.25 38.64 2r8i s ASN 254 CO 0.04 -1.35 0.60 -0.55 0.02 0.00 0.00 177.10 175.86 2r8i s SER 255 N -1.71 -0.49 0.00 -1.22 0.15 -0.72 -4.90 113.70 104.82 2r8i s SER 255 Ca 0.74 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2r8i s SER 255 Cb -0.26 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2r8i s SER 255 CO 0.29 -1.02 0.21 0.54 1.20 0.00 0.00 173.24 174.46 2r8i n ARG 256 N -0.38 2.12 -2.77 5.44 5.12 -1.26 -0.55 116.66 124.39 2r8i n ARG 256 Ca -0.15 -0.21 -0.42 0.00 -1.93 0.00 0.00 57.85 55.14 2r8i n ARG 256 Cb 0.64 -0.66 -0.03 0.00 -1.16 0.00 0.00 32.46 31.25 2r8i n ARG 256 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2r8i s ASN 257 N -0.36 7.17 0.10 0.55 3.84 -1.26 -4.98 114.94 119.99 2r8i s ASN 257 Ca 0.00 1.43 -0.25 0.00 0.21 0.00 0.00 52.86 54.25 2r8i s ASN 257 Cb 0.00 -2.52 -0.10 0.00 -0.55 0.00 0.00 41.25 38.08 2r8i s ASN 257 CO 0.00 -0.39 1.68 0.25 -2.79 0.00 0.00 177.10 175.84 2r8i h LEU 258 N 7.89 -0.43 -1.05 3.21 5.85 -1.99 -1.93 115.31 126.86 2r8i h LEU 258 Ca -0.32 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2r8i h LEU 258 Cb 1.15 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2r8i h LEU 258 CO 0.83 -0.23 0.00 -0.33 -0.34 0.00 0.00 178.44 178.38 2r8i h GLU 259 N -0.31 0.00 0.00 1.25 4.39 -2.00 0.31 114.58 118.22 2r8i h GLU 259 Ca 0.02 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 2r8i h GLU 259 Cb 0.32 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2r8i h GLU 259 CO -0.08 0.00 -1.31 1.49 -1.16 0.00 0.00 179.01 177.94 2r8i h GLU 260 N 0.00 0.00 0.08 2.33 4.81 -1.88 -3.36 114.58 116.56 2r8i h GLU 260 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2r8i h GLU 260 Cb 0.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2r8i h GLU 260 CO 0.00 0.69 -1.80 0.82 -0.73 0.00 0.00 179.01 177.99 2r8i h ILE 261 N 0.00 0.81 -0.84 2.32 2.04 -0.79 -3.40 117.51 117.65 2r8i h ILE 261 Ca -0.14 -2.56 0.13 0.00 1.00 0.00 0.00 64.86 63.29 2r8i h ILE 261 Cb 1.84 2.54 -0.14 0.00 -0.74 0.00 0.00 36.82 40.32 2r8i h ILE 261 CO 0.10 0.75 -0.37 0.11 0.00 0.00 0.00 178.15 178.73 2r8i h LYS 262 N 0.05 -0.06 -0.74 2.37 1.57 -1.10 -1.03 116.57 117.62 2r8i h LYS 262 Ca -0.34 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2r8i h LYS 262 Cb 2.02 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 34.22 2r8i h LYS 262 CO 0.10 -0.04 0.03 -1.35 -0.57 0.00 0.00 179.45 177.62 2r8i h PRO 263 N -0.07 0.12 -0.29 3.15 0.11 -1.78 0.31 132.00 133.56 2r8i h PRO 263 Ca 0.30 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 2r8i h PRO 263 Cb 0.58 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2r8i h PRO 263 CO -0.87 0.08 0.08 1.88 -0.21 0.00 0.00 178.00 178.96 2r8i h TYR 264 N 0.13 0.48 -0.29 0.65 0.05 -1.48 -1.91 116.97 114.60 2r8i h TYR 264 Ca 0.41 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.16 2r8i h TYR 264 Cb 0.71 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 2r8i h TYR 264 CO -0.39 0.51 0.13 1.25 -1.05 0.00 0.00 178.16 178.61 2r8i h LEU 265 N 0.31 0.18 -1.20 3.88 5.85 -0.41 -1.38 115.31 122.54 2r8i h LEU 265 Ca 0.09 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2r8i h LEU 265 Cb 0.26 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2r8i h LEU 265 CO -0.00 0.14 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.89 2r8i h PHE 266 N 0.28 0.47 -0.38 1.25 0.04 -0.37 -1.29 116.94 116.93 2r8i h PHE 266 Ca 0.12 -0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 2r8i h PHE 266 Cb 0.06 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2r8i h PHE 266 CO -0.11 0.53 -0.24 -0.09 -0.60 0.00 0.00 178.31 177.80 2r8i h ARG 267 N 0.42 0.77 -0.63 1.51 2.43 -0.91 -0.57 114.38 117.39 2r8i h ARG 267 Ca 0.08 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 2r8i h ARG 267 Cb 0.42 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2r8i h ARG 267 CO 0.02 0.93 0.08 0.00 -1.51 0.00 0.00 179.97 179.50 2r8i h ALA 268 N 1.06 0.95 -0.40 2.80 0.00 -0.69 -2.05 119.26 120.93 2r8i h ALA 268 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2r8i h ALA 268 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2r8i h ALA 268 CO 0.06 0.65 0.09 0.82 0.00 0.00 0.00 179.25 180.87 2r8i h ILE 269 N 0.98 1.23 -0.19 0.00 2.04 -0.77 -0.70 117.51 120.09 2r8i h ILE 269 Ca 0.19 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2r8i h ILE 269 Cb 0.45 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2r8i h ILE 269 CO 0.02 0.28 0.13 -0.33 0.00 0.00 0.00 178.15 178.25 2r8i h GLU 270 N 0.51 0.25 -0.57 2.37 4.39 -0.89 0.13 114.58 120.77 2r8i h GLU 270 Ca 0.12 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2r8i h GLU 270 Cb 0.33 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2r8i h GLU 270 CO 0.00 0.17 0.22 0.93 -1.16 0.00 0.00 179.01 179.17 2r8i h GLU 271 N 0.26 0.86 -0.55 2.33 5.08 -1.31 -1.87 114.58 119.38 2r8i h GLU 271 Ca 0.07 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2r8i h GLU 271 Cb -0.03 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2r8i h GLU 271 CO -0.02 0.75 0.36 0.77 -1.00 0.00 0.00 179.01 179.87 2r8i h SER 272 N 0.79 0.62 -0.21 1.42 0.02 -0.82 -1.51 113.55 113.86 2r8i h SER 272 Ca 0.19 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2r8i h SER 272 Cb 0.22 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2r8i h SER 272 CO -0.01 0.45 -0.01 1.88 -1.14 0.00 0.00 176.83 178.00 2r8i h TYR 273 N 0.74 0.52 -0.12 3.45 0.05 -0.75 -0.41 116.97 120.44 2r8i h TYR 273 Ca 0.21 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 2r8i h TYR 273 Cb -0.07 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2r8i h TYR 273 CO -0.04 0.52 0.04 -0.92 -1.05 0.00 0.00 178.16 176.71 2r8i h TYR 274 N 0.48 0.19 -0.31 4.88 3.20 -0.72 -2.81 116.97 121.88 2r8i h TYR 274 Ca 0.10 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2r8i h TYR 274 Cb 0.33 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2r8i h TYR 274 CO 0.01 0.30 0.09 0.87 -1.64 0.00 0.00 178.16 177.79 2r8i h LYS 275 N 0.02 0.44 -0.92 1.82 1.57 -0.76 -2.49 116.57 116.25 2r8i h LYS 275 Ca 0.04 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 58.92 2r8i h LYS 275 Cb 0.20 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 2r8i h LYS 275 CO -0.00 0.40 0.59 -0.07 -0.57 0.00 0.00 179.45 179.80 2r8i h LEU 276 N 0.44 0.64 -3.42 2.94 3.38 -0.81 -3.47 115.31 115.01 2r8i h LEU 276 Ca 0.11 0.05 -0.41 0.00 0.09 0.00 0.00 57.88 57.72 2r8i h LEU 276 Cb 0.15 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2r8i h LEU 276 CO -0.01 0.29 -1.02 -0.67 0.09 0.00 0.00 178.44 177.13 2r8i n ASP 277 N -4.59 -4.40 0.00 -0.43 2.03 -0.94 -1.85 116.55 106.38 2r8i n ASP 277 Ca 0.19 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.87 2r8i n ASP 277 Cb 0.53 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 2r8i n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2r8i n LYS 278 N -1.64 0.00 -2.40 -0.67 4.76 -1.26 -5.02 118.16 111.93 2r8i n LYS 278 Ca -0.22 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 2r8i n LYS 278 Cb 0.61 -0.59 -0.04 0.00 -1.84 0.00 0.00 35.03 33.17 2r8i n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2r8i s ARG 279 N -0.25 4.56 -0.24 1.97 0.52 -0.77 -5.01 118.95 119.73 2r8i s ARG 279 Ca 0.00 1.88 -0.02 0.00 -0.52 0.00 0.00 55.73 57.07 2r8i s ARG 279 Cb 0.00 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.31 2r8i s ARG 279 CO 0.00 0.08 -0.07 0.42 0.02 0.00 0.00 175.30 175.75 2r8i s ILE 280 N -0.85 2.85 0.26 1.52 1.01 -1.26 -4.90 121.20 119.83 2r8i s ILE 280 Ca 0.47 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 2r8i s ILE 280 Cb -0.33 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.62 2r8i s ILE 280 CO 0.41 0.23 0.77 -2.16 0.00 0.00 0.00 174.94 174.19 2r8i s PRO 281 N 1.33 4.27 0.00 2.79 0.04 -1.26 0.05 135.00 142.22 2r8i s PRO 281 Ca 0.01 0.92 0.14 0.00 0.04 0.00 0.00 61.00 62.11 2r8i s PRO 281 Cb -0.16 -2.79 -0.12 0.00 0.04 0.00 0.00 34.50 31.47 2r8i s PRO 281 CO -0.05 0.33 0.63 1.63 0.04 0.00 0.00 177.00 179.59 2r8i n LYS 282 N 0.51 2.29 -4.50 4.56 5.02 -0.92 -0.14 118.16 124.98 2r8i n LYS 282 Ca -0.01 -0.17 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 2r8i n LYS 282 Cb 0.51 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 34.21 2r8i n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r8i s ALA 283 N -2.18 1.29 -0.01 7.82 0.00 -0.83 0.27 121.76 128.13 2r8i s ALA 283 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2r8i s ALA 283 Cb 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2r8i s ALA 283 CO 0.52 0.27 -0.00 -1.50 0.00 0.00 0.00 175.76 175.05 2r8i s ILE 284 N -0.69 0.10 -0.02 0.00 2.07 -0.78 -1.35 121.20 120.53 2r8i s ILE 284 Ca 0.04 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.33 2r8i s ILE 284 Cb -0.07 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 2r8i s ILE 284 CO 0.01 0.07 -0.13 -1.00 -1.91 0.00 0.00 174.94 171.97 2r8i s HIS 285 N 0.36 1.23 -0.20 3.50 3.76 0.36 -1.28 115.29 123.02 2r8i s HIS 285 Ca -0.03 -0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 54.54 2r8i s HIS 285 Cb -0.05 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 2r8i s HIS 285 CO -0.01 -0.06 0.05 0.08 -0.85 0.00 0.00 174.74 173.96 2r8i s VAL 286 N -0.17 4.56 -0.08 -0.90 1.01 0.36 -0.59 120.40 124.60 2r8i s VAL 286 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2r8i s VAL 286 Cb -0.07 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2r8i s VAL 286 CO 0.00 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.69 2r8i s VAL 287 N 0.74 3.04 -0.03 2.92 1.01 0.23 -1.58 120.40 126.73 2r8i s VAL 287 Ca 0.03 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2r8i s VAL 287 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2r8i s VAL 287 CO 0.02 0.57 -0.11 0.00 0.00 0.00 0.00 175.10 175.58 2r8i s ALA 288 N -0.34 1.03 -0.31 5.51 0.00 0.26 -1.37 121.76 126.54 2r8i s ALA 288 Ca 0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 2r8i s ALA 288 Cb -0.13 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2r8i s ALA 288 CO 0.02 0.16 0.12 0.08 0.00 0.00 0.00 175.76 176.15 2r8i s VAL 289 N 0.21 4.24 1.14 0.00 1.01 -0.12 0.09 120.40 126.98 2r8i s VAL 289 Ca -0.04 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 2r8i s VAL 289 Cb -0.10 -3.21 0.26 0.00 0.00 0.00 0.00 36.38 33.33 2r8i s VAL 289 CO 0.01 0.03 1.13 0.42 0.00 0.00 0.00 175.10 176.69 2r8i s THR 290 N 1.54 1.72 0.33 3.92 -4.23 0.07 0.15 115.64 119.14 2r8i s THR 290 Ca 0.03 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 2r8i s THR 290 Cb -0.17 -2.54 0.14 0.00 1.34 0.00 0.00 72.50 71.26 2r8i s THR 290 CO 0.04 0.00 1.85 1.05 -0.54 0.00 0.00 174.62 177.02 2r8i h GLU 291 N -2.34 0.52 -0.95 3.99 4.11 -0.58 -2.04 114.58 117.28 2r8i h GLU 291 Ca -0.47 -0.12 -0.15 0.00 0.07 0.00 0.00 59.36 58.69 2r8i h GLU 291 Cb 1.30 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.39 2r8i h GLU 291 CO 0.40 0.58 0.19 -0.40 0.07 0.00 0.00 179.01 179.84 2r8i n ASP 292 N -4.25 3.19 -2.19 3.06 3.85 -1.26 -4.86 116.55 114.09 2r8i n ASP 292 Ca 0.01 -2.57 -0.20 0.00 -0.71 0.00 0.00 54.79 51.33 2r8i n ASP 292 Cb 0.27 -0.62 -0.03 0.00 -1.35 0.00 0.00 41.12 39.39 2r8i n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2r8i n LEU 293 N -0.04 -1.73 -4.84 -2.12 4.77 -0.77 -4.99 117.00 107.28 2r8i n LEU 293 Ca 0.20 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.95 2r8i n LEU 293 Cb 0.88 -2.81 -0.06 0.00 -2.33 0.00 0.00 43.42 39.10 2r8i n LEU 293 CO 0.21 -0.42 0.19 -0.62 -1.33 0.00 0.00 177.39 175.42 2r8i s ASP 294 N -2.20 6.86 -0.31 -1.43 2.15 -1.26 -4.82 116.67 115.65 2r8i s ASP 294 Ca 0.00 1.06 -0.14 0.00 0.43 0.00 0.00 52.55 53.90 2r8i s ASP 294 Cb 0.00 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 2r8i s ASP 294 CO 0.00 0.22 0.30 -0.63 -0.17 0.00 0.00 175.17 174.89 2r8i s ILE 295 N -1.25 5.23 -0.03 4.11 1.01 -1.26 -0.75 121.20 128.25 2r8i s ILE 295 Ca 0.31 0.12 0.07 0.00 0.00 0.00 0.00 60.65 61.15 2r8i s ILE 295 Cb -0.17 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 2r8i s ILE 295 CO 0.17 0.05 -0.25 -0.69 0.00 0.00 0.00 174.94 174.23 2r8i s VAL 296 N 1.91 2.14 0.06 2.92 1.01 0.11 -4.98 120.40 123.57 2r8i s VAL 296 Ca 0.10 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2r8i s VAL 296 Cb -0.16 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2r8i s VAL 296 CO 0.11 0.58 0.15 -0.94 0.00 0.00 0.00 175.10 175.00 2r8i s SER 297 N -0.53 0.14 -0.07 3.32 1.04 -1.26 0.92 113.70 117.27 2r8i s SER 297 Ca 0.07 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 2r8i s SER 297 Cb -0.11 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2r8i s SER 297 CO 0.00 -0.62 0.18 -0.13 0.98 0.00 0.00 173.24 173.65 2r8i s ARG 298 N -3.26 0.18 0.24 4.02 1.81 -0.62 -4.97 118.95 116.35 2r8i s ARG 298 Ca 0.00 0.34 -0.08 0.00 -1.72 0.00 0.00 55.73 54.27 2r8i s ARG 298 Cb 0.02 -0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.49 2r8i s ARG 298 CO -0.08 -0.09 0.35 0.20 -0.68 0.00 0.00 175.30 175.01 2r8i s GLY 299 N 0.60 0.93 -0.01 -3.53 0.00 -1.26 -0.48 107.32 103.58 2r8i s GLY 299 Ca -0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 2r8i s GLY 299 CO -0.03 -0.94 0.08 -1.60 0.00 0.00 0.00 173.10 170.61 2r8i s ARG 300 N -4.01 0.31 -0.12 2.90 3.52 -0.40 -4.99 118.95 116.16 2r8i s ARG 300 Ca 0.29 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 2r8i s ARG 300 Cb 0.02 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2r8i s ARG 300 CO 0.11 -0.06 -0.13 0.99 -0.81 0.00 0.00 175.30 175.40 2r8i s THR 301 N -0.92 3.08 0.24 4.11 2.01 -1.26 -1.86 115.64 121.05 2r8i s THR 301 Ca -0.10 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.31 2r8i s THR 301 Cb -0.06 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2r8i s THR 301 CO 0.00 0.53 0.21 -0.36 -0.69 0.00 0.00 174.62 174.32 2r8i s PHE 302 N 0.22 3.16 -0.73 4.92 0.40 0.14 -4.99 117.98 121.09 2r8i s PHE 302 Ca -0.08 -0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2r8i s PHE 302 Cb -0.15 -1.44 0.19 0.00 0.51 0.00 0.00 43.02 42.14 2r8i s PHE 302 CO 0.05 0.51 0.86 -0.35 0.70 0.00 0.00 175.22 176.99 2r8i n PRO 303 N -1.12 1.87 -3.77 0.24 -0.04 -1.26 -4.81 135.00 126.10 2r8i n PRO 303 Ca -0.08 -0.76 -0.05 0.00 -0.04 0.00 0.00 63.50 62.57 2r8i n PRO 303 Cb 0.57 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2r8i n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2r8i s HIS 304 N -1.35 -0.17 0.85 0.54 -3.43 -1.26 -5.16 115.29 105.31 2r8i s HIS 304 Ca 0.13 -0.18 -0.11 0.00 -0.80 0.00 0.00 55.06 54.10 2r8i s HIS 304 Cb 0.10 0.66 0.11 0.00 -1.43 0.00 0.00 32.58 32.01 2r8i s HIS 304 CO 0.04 -0.95 1.16 0.20 -2.00 0.00 0.00 174.74 173.19 2r8i s GLY 305 N -2.91 1.87 -0.27 -1.38 0.00 -1.26 -4.46 107.32 98.91 2r8i s GLY 305 Ca 0.11 0.63 -0.07 0.00 0.00 0.00 0.00 44.72 45.39 2r8i s GLY 305 CO 0.03 1.04 0.07 -0.42 0.00 0.00 0.00 173.10 173.82 2r8i s ILE 306 N -2.50 4.15 0.72 0.90 1.01 0.80 -4.94 121.20 121.34 2r8i s ILE 306 Ca 0.68 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 2r8i s ILE 306 Cb -0.24 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2r8i s ILE 306 CO 0.54 0.24 1.07 -0.94 0.00 0.00 0.00 174.94 175.86 2r8i s SER 307 N 1.57 5.22 0.32 3.58 1.04 -1.26 -4.71 113.70 119.46 2r8i s SER 307 Ca 0.05 1.39 0.02 0.00 0.48 0.00 0.00 55.95 57.90 2r8i s SER 307 Cb -0.16 -2.23 0.60 0.00 0.10 0.00 0.00 66.02 64.32 2r8i s SER 307 CO 0.03 -1.52 1.94 0.50 0.98 0.00 0.00 173.24 175.17 2r8i h LYS 308 N -0.77 0.91 -0.49 4.02 3.64 -1.99 -0.08 116.57 121.81 2r8i h LYS 308 Ca -0.45 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2r8i h LYS 308 Cb 1.23 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2r8i h LYS 308 CO 0.60 0.60 0.24 0.93 -2.27 0.00 0.00 179.45 179.55 2r8i h GLU 309 N 0.94 0.71 -0.50 1.90 3.07 -2.00 -1.39 114.58 117.31 2r8i h GLU 309 Ca 0.35 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 2r8i h GLU 309 Cb 0.17 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2r8i h GLU 309 CO -0.12 0.59 -0.04 1.15 -1.40 0.00 0.00 179.01 179.19 2r8i h THR 310 N 0.65 1.25 -0.36 1.13 2.02 -1.68 -2.13 112.91 113.80 2r8i h THR 310 Ca 0.17 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.26 2r8i h THR 310 Cb 0.11 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2r8i h THR 310 CO -0.02 0.39 0.21 0.00 0.37 0.00 0.00 175.52 176.46 2r8i h ALA 311 N 1.16 0.45 -0.10 6.16 0.00 -0.51 0.33 119.26 126.75 2r8i h ALA 311 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2r8i h ALA 311 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2r8i h ALA 311 CO 0.03 -0.14 -0.01 1.88 0.00 0.00 0.00 179.25 181.01 2r8i h TYR 312 N 0.42 -0.02 0.15 0.00 0.05 -1.03 0.33 116.97 116.86 2r8i h TYR 312 Ca 0.14 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2r8i h TYR 312 Cb 0.00 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2r8i h TYR 312 CO -0.08 -0.03 -0.10 1.03 -1.05 0.00 0.00 178.16 177.93 2r8i h SER 313 N 0.02 -0.26 -0.12 3.88 0.87 -0.89 -3.04 113.55 114.01 2r8i h SER 313 Ca 0.05 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2r8i h SER 313 Cb 0.06 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2r8i h SER 313 CO -0.09 -0.17 -0.20 -0.08 -0.53 0.00 0.00 176.83 175.76 2r8i h GLU 314 N -0.26 0.53 -0.82 2.24 4.57 -0.22 -3.15 114.58 117.46 2r8i h GLU 314 Ca -0.01 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2r8i h GLU 314 Cb 0.22 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2r8i h GLU 314 CO 0.00 0.71 0.46 0.66 -1.18 0.00 0.00 179.01 179.66 2r8i h SER 315 N 0.48 1.03 -0.33 1.04 4.64 -0.84 -1.31 113.55 118.25 2r8i h SER 315 Ca 0.08 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2r8i h SER 315 Cb 0.62 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2r8i h SER 315 CO 0.04 0.82 0.09 1.62 -0.87 0.00 0.00 176.83 178.54 2r8i h VAL 316 N 1.14 1.22 -0.31 0.95 3.04 -1.50 0.16 116.25 120.95 2r8i h VAL 316 Ca 0.29 -0.72 0.05 0.00 -1.01 0.00 0.00 66.70 65.31 2r8i h VAL 316 Cb 0.02 1.06 -0.04 0.00 -2.01 0.00 0.00 31.29 30.32 2r8i h VAL 316 CO -0.05 0.24 0.04 0.11 -1.01 0.00 0.00 177.57 176.90 2r8i h LYS 317 N 0.38 0.13 -0.57 4.17 1.57 -1.47 0.45 116.57 121.24 2r8i h LYS 317 Ca 0.10 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2r8i h LYS 317 Cb 0.28 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2r8i h LYS 317 CO -0.00 0.09 0.12 -0.07 -0.57 0.00 0.00 179.45 179.02 2r8i h LEU 318 N 0.14 0.84 -0.99 2.94 3.38 -0.98 -1.27 115.31 119.37 2r8i h LEU 318 Ca 0.15 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2r8i h LEU 318 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2r8i h LEU 318 CO -0.22 0.83 0.19 0.25 0.09 0.00 0.00 178.44 179.58 2r8i h LEU 319 N 0.85 0.85 -0.50 1.67 5.85 0.10 -1.97 115.31 122.15 2r8i h LEU 319 Ca 0.18 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2r8i h LEU 319 Cb 0.34 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2r8i h LEU 319 CO 0.00 0.80 -0.00 1.56 -0.34 0.00 0.00 178.44 180.46 2r8i h GLN 320 N 0.89 0.89 -0.63 1.25 4.20 -0.23 -1.67 115.11 119.81 2r8i h GLN 320 Ca 0.20 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2r8i h GLN 320 Cb 0.26 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2r8i h GLN 320 CO -0.01 0.92 0.39 -0.22 -0.67 0.00 0.00 178.83 179.24 2r8i h LYS 321 N 0.75 0.84 -0.59 1.46 3.64 -0.86 0.14 116.57 121.96 2r8i h LYS 321 Ca 0.14 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2r8i h LYS 321 Cb 0.52 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2r8i h LYS 321 CO 0.03 0.59 0.09 0.82 -2.27 0.00 0.00 179.45 178.70 2r8i h ILE 322 N 0.86 1.26 0.00 2.00 2.04 -0.83 -2.58 117.51 120.26 2r8i h ILE 322 Ca 0.23 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.97 2r8i h ILE 322 Cb -0.05 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2r8i h ILE 322 CO -0.04 0.37 -0.55 -0.07 0.00 0.00 0.00 178.15 177.85 2r8i h LEU 323 N 0.88 0.00 -1.31 1.44 3.38 -0.49 -2.88 115.31 116.32 2r8i h LEU 323 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2r8i h LEU 323 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2r8i h LEU 323 CO 0.01 0.55 -0.34 -0.08 0.09 0.00 0.00 178.44 178.68 2r8i h GLU 324 N 0.00 0.00 0.00 1.13 4.22 -0.43 -3.41 114.58 116.10 2r8i h GLU 324 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2r8i h GLU 324 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2r8i h GLU 324 CO 0.07 0.34 0.00 0.39 -2.18 0.00 0.00 179.01 177.63 2r8i n GLU 325 N -3.98 0.00 -1.69 1.92 4.71 -1.00 -4.88 120.64 115.72 2r8i n GLU 325 Ca -0.02 0.00 -0.61 0.00 -0.01 0.00 0.00 57.16 56.52 2r8i n GLU 325 Cb 0.39 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.74 2r8i n GLU 325 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2r8i n ASP 326 N 0.00 1.84 -0.44 1.62 8.00 -1.18 -4.79 116.55 121.60 2r8i n ASP 326 Ca 0.00 1.07 0.08 0.00 0.71 0.00 0.00 54.79 56.65 2r8i n ASP 326 Cb 0.00 -1.03 0.32 0.00 -0.02 0.00 0.00 41.12 40.38 2r8i n ASP 326 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2r8i n GLU 327 N 5.10 1.57 -2.42 -1.24 0.00 -1.26 -4.59 120.64 117.80 2r8i n GLU 327 Ca 0.30 -0.86 -0.34 0.00 0.00 0.00 0.00 57.16 56.27 2r8i n GLU 327 Cb 0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 31.44 30.15 2r8i n GLU 327 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2r8i s ARG 328 N -1.78 3.69 0.48 3.44 0.52 -1.26 -5.02 118.95 119.02 2r8i s ARG 328 Ca 0.27 1.31 -0.21 0.00 -0.52 0.00 0.00 55.73 56.58 2r8i s ARG 328 Cb 0.14 -2.08 -0.08 0.00 0.52 0.00 0.00 34.95 33.45 2r8i s ARG 328 CO 0.21 -0.52 1.08 0.15 0.02 0.00 0.00 175.30 176.23 2r8i s LYS 329 N -3.47 3.75 -0.15 3.54 1.02 -1.26 -4.86 119.74 118.31 2r8i s LYS 329 Ca 0.66 1.49 -0.12 0.00 0.02 0.00 0.00 55.97 58.02 2r8i s LYS 329 Cb -0.16 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 2r8i s LYS 329 CO 0.24 -0.49 0.25 0.42 -0.92 0.00 0.00 175.35 174.85 2r8i s ILE 330 N -1.83 5.33 -0.26 2.17 1.01 0.29 0.18 121.20 128.09 2r8i s ILE 330 Ca 0.67 0.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.62 2r8i s ILE 330 Cb -0.20 -3.57 -0.14 0.00 0.01 0.00 0.00 42.46 38.56 2r8i s ILE 330 CO 0.24 0.44 -0.25 -1.14 0.00 0.00 0.00 174.94 174.24 2r8i n ARG 331 N 3.22 0.59 -4.58 2.79 0.63 0.12 -1.75 116.66 117.67 2r8i n ARG 331 Ca -0.14 0.31 -0.28 0.00 -0.92 0.00 0.00 57.85 56.82 2r8i n ARG 331 Cb 0.52 -1.54 -0.14 0.00 0.45 0.00 0.00 32.46 31.76 2r8i n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2r8i s ARG 332 N -2.49 1.50 0.00 -0.14 0.52 -0.67 -2.88 118.95 114.79 2r8i s ARG 332 Ca -0.37 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 53.62 2r8i s ARG 332 Cb 0.13 -1.81 -0.01 0.00 0.52 0.00 0.00 34.95 33.78 2r8i s ARG 332 CO 0.52 0.45 0.05 -1.50 0.02 0.00 0.00 175.30 174.83 2r8i s ILE 333 N -0.95 0.07 0.01 1.52 1.10 -0.75 -0.94 121.20 121.25 2r8i s ILE 333 Ca 0.11 -0.62 -0.16 0.00 -0.51 0.00 0.00 60.65 59.48 2r8i s ILE 333 Cb -0.10 -0.27 0.05 0.00 0.15 0.00 0.00 42.46 42.29 2r8i s ILE 333 CO 0.04 -0.34 0.71 0.61 -2.11 0.00 0.00 174.94 173.85 2r8i n GLY 334 N 1.91 0.48 3.18 1.50 0.00 -0.47 -1.00 105.19 110.79 2r8i n GLY 334 Ca -0.21 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 2r8i n GLY 334 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r8i s VAL 335 N -2.11 0.54 -0.04 1.61 -7.23 -0.52 -0.60 120.40 112.05 2r8i s VAL 335 Ca 0.17 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2r8i s VAL 335 Cb -0.01 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 35.08 2r8i s VAL 335 CO 0.00 -0.67 0.09 -0.60 -0.31 0.00 0.00 175.10 173.61 2r8i s ARG 336 N -3.91 0.03 -0.09 4.82 3.52 0.24 -1.43 118.95 122.14 2r8i s ARG 336 Ca 0.18 0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 2r8i s ARG 336 Cb 0.06 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 2r8i s ARG 336 CO -0.01 -0.15 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.21 2r8i s PHE 337 N 1.03 2.99 0.09 5.12 0.08 0.48 -0.49 117.98 127.28 2r8i s PHE 337 Ca -0.08 -0.04 -0.00 0.00 0.12 0.00 0.00 56.93 56.92 2r8i s PHE 337 Cb -0.11 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 2r8i s PHE 337 CO -0.04 0.25 0.12 -1.13 -0.10 0.00 0.00 175.22 174.32 2r8i n SER 338 N 2.55 -0.32 -3.56 1.36 3.41 -0.46 -0.94 113.62 115.65 2r8i n SER 338 Ca -0.18 -1.50 -0.19 0.00 -0.26 0.00 0.00 58.87 56.74 2r8i n SER 338 Cb 0.53 0.62 0.06 0.00 -0.26 0.00 0.00 64.21 65.16 2r8i n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2r8i n LYS 339 N -0.15 -5.53 -1.48 4.33 5.02 -1.24 -1.96 118.16 117.15 2r8i n LYS 339 Ca 0.00 0.73 -0.37 0.00 -2.02 0.00 0.00 58.31 56.65 2r8i n LYS 339 Cb 0.15 -5.50 0.06 0.00 -0.02 0.00 0.00 35.03 29.72 2r8i n LYS 339 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2r8i n PHE 340 N -4.17 0.03 1.45 2.13 3.72 -1.26 -2.58 117.46 116.78 2r8i n PHE 340 Ca -0.28 0.42 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 2r8i n PHE 340 Cb 0.67 -2.03 0.69 0.00 -0.94 0.00 0.00 39.48 37.87 2r8i n PHE 340 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82