#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miq h GLY 4 N 0.00 1.23 1.98 3.14 0.00 -1.76 -3.18 103.07 104.48 3miq h GLY 4 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3miq h GLY 4 CO 0.00 0.67 0.01 1.05 0.00 0.00 0.00 176.54 178.27 3miq h GLU 5 N 1.10 0.00 0.00 4.80 4.11 -1.91 -0.49 114.58 122.19 3miq h GLU 5 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 3miq h GLU 5 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3miq h GLU 5 CO -0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.46 3miq n GLU 6 N -2.35 0.15 0.08 1.06 1.02 -1.20 -2.29 120.64 117.12 3miq n GLU 6 Ca -0.02 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 3miq n GLU 6 Cb 0.05 -1.72 0.45 0.00 -0.02 0.00 0.00 31.44 30.20 3miq n GLU 6 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3miq n LEU 7 N -1.99 0.63 -0.75 -4.62 4.77 -0.19 -3.66 117.00 111.19 3miq n LEU 7 Ca 0.04 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.67 3miq n LEU 7 Cb 0.31 -0.38 0.21 0.00 -2.33 0.00 0.00 43.42 41.23 3miq n LEU 7 CO 0.24 -0.18 0.67 0.49 -1.33 0.00 0.00 177.39 177.28 3miq n PHE 8 N -2.10 0.72 0.20 -1.77 3.01 -0.97 -4.66 117.46 111.89 3miq n PHE 8 Ca 0.06 -0.75 0.06 0.00 1.01 0.00 0.00 57.45 57.82 3miq n PHE 8 Cb 0.39 -0.21 0.43 0.00 -0.01 0.00 0.00 39.48 40.09 3miq n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3miq h THR 9 N 1.73 1.01 -0.56 4.37 1.35 -1.67 -3.38 112.91 115.76 3miq h THR 9 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3miq h THR 9 Cb 1.17 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3miq h THR 9 CO 0.14 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3miq n GLY 10 N -0.33 5.12 3.65 5.82 0.00 -1.26 -4.75 105.19 113.43 3miq n GLY 10 Ca -0.01 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 3miq n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3miq s VAL 11 N 2.82 5.23 -0.10 1.61 1.01 -1.26 -4.31 120.40 125.40 3miq s VAL 11 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3miq s VAL 11 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 3miq s VAL 11 CO 0.00 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 3miq s VAL 12 N 0.93 2.77 0.25 2.92 1.01 0.10 -4.96 120.40 123.41 3miq s VAL 12 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 3miq s VAL 12 Cb -0.13 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 3miq s VAL 12 CO 0.03 0.55 1.24 -2.84 0.00 0.00 0.00 175.10 174.08 3miq s PRO 13 N 0.06 4.45 0.04 2.72 0.02 -1.26 -0.76 135.00 140.27 3miq s PRO 13 Ca -0.07 2.01 0.07 0.00 0.02 0.00 0.00 61.00 63.03 3miq s PRO 13 Cb -0.15 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 3miq s PRO 13 CO 0.05 -0.10 -0.16 0.42 -0.33 0.00 0.00 177.00 176.88 3miq s ILE 14 N -0.53 2.94 -0.03 2.83 1.01 -0.33 -1.18 121.20 125.91 3miq s ILE 14 Ca 0.51 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3miq s ILE 14 Cb -0.36 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3miq s ILE 14 CO 0.42 0.32 0.00 -0.22 0.00 0.00 0.00 174.94 175.47 3miq s LEU 15 N -1.50 1.19 -0.03 2.97 0.20 -0.47 -2.72 118.68 118.31 3miq s LEU 15 Ca 0.15 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.99 3miq s LEU 15 Cb -0.11 -0.21 -0.00 0.00 -0.43 0.00 0.00 46.19 45.44 3miq s LEU 15 CO 0.06 -0.10 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.19 3miq s VAL 16 N 0.98 1.19 -0.05 1.68 1.01 -0.29 -0.74 120.40 124.17 3miq s VAL 16 Ca -0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3miq s VAL 16 Cb -0.13 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3miq s VAL 16 CO -0.02 0.35 0.01 -1.61 0.00 0.00 0.00 175.10 173.83 3miq s GLU 17 N -0.03 0.43 -0.06 2.72 0.41 0.02 -0.09 118.70 122.09 3miq s GLU 17 Ca -0.01 0.14 0.02 0.00 -0.41 0.00 0.00 54.97 54.71 3miq s GLU 17 Cb -0.09 -0.76 0.02 0.00 -1.78 0.00 0.00 34.13 31.51 3miq s GLU 17 CO 0.01 -0.25 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.25 3miq s LEU 18 N 1.71 1.55 -0.16 1.80 2.96 -0.37 -0.40 118.68 125.77 3miq s LEU 18 Ca 0.00 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3miq s LEU 18 Cb -0.13 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 3miq s LEU 18 CO -0.04 0.00 -0.05 -1.81 -1.32 0.00 0.00 176.35 173.14 3miq s ASP 19 N 0.79 4.62 0.10 3.68 -0.00 -0.83 -0.85 116.67 124.18 3miq s ASP 19 Ca -0.13 -0.19 0.07 0.00 -0.00 0.00 0.00 52.55 52.30 3miq s ASP 19 Cb -0.15 -1.75 -0.03 0.00 -0.00 0.00 0.00 42.92 40.98 3miq s ASP 19 CO 0.02 0.14 -0.18 -0.83 -0.00 0.00 0.00 175.17 174.33 3miq s GLY 20 N 0.50 1.12 -0.24 0.21 0.00 0.49 -0.74 107.32 108.67 3miq s GLY 20 Ca -0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 3miq s GLY 20 CO 0.03 -1.23 0.27 -0.35 0.00 0.00 0.00 173.10 171.82 3miq s ASP 21 N -2.01 1.33 -0.17 1.64 -1.08 -0.63 -1.06 116.67 114.69 3miq s ASP 21 Ca 0.05 -0.34 0.01 0.00 -0.52 0.00 0.00 52.55 51.76 3miq s ASP 21 Cb -0.09 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 41.91 3miq s ASP 21 CO 0.04 -0.34 -0.20 -0.69 0.52 0.00 0.00 175.17 174.50 3miq s VAL 22 N 2.37 2.14 -0.80 1.11 1.01 -0.76 -0.12 120.40 125.34 3miq s VAL 22 Ca 0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3miq s VAL 22 Cb -0.15 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3miq s VAL 22 CO -0.20 0.54 0.12 0.59 0.00 0.00 0.00 175.10 176.15 3miq n ASN 23 N 4.48 -2.89 0.00 3.32 4.13 -0.37 0.17 115.26 124.11 3miq n ASN 23 Ca -0.21 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.18 3miq n ASN 23 Cb 0.50 -2.49 0.00 0.00 -1.54 0.00 0.00 39.78 36.26 3miq n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3miq n GLY 24 N -0.79 1.22 3.45 7.41 0.00 -1.26 -5.00 105.19 110.22 3miq n GLY 24 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3miq n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3miq s HIS 25 N -2.93 2.68 0.51 1.61 3.76 0.13 -5.04 115.29 116.01 3miq s HIS 25 Ca 0.00 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.19 3miq s HIS 25 Cb 0.00 -4.28 -0.08 0.00 1.11 0.00 0.00 32.58 29.33 3miq s HIS 25 CO 0.00 -1.63 0.99 0.15 -0.85 0.00 0.00 174.74 173.39 3miq s LYS 26 N 4.03 3.95 0.04 1.40 1.02 -1.26 -1.84 119.74 127.09 3miq s LYS 26 Ca 0.22 1.01 -0.27 0.00 0.02 0.00 0.00 55.97 56.94 3miq s LYS 26 Cb -0.17 -2.14 0.09 0.00 -0.52 0.00 0.00 37.83 35.10 3miq s LYS 26 CO 0.10 -0.27 0.88 -0.59 -0.92 0.00 0.00 175.35 174.56 3miq s PHE 27 N -2.53 -0.31 0.06 3.18 -0.71 -0.22 -4.92 117.98 112.53 3miq s PHE 27 Ca 0.60 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.65 3miq s PHE 27 Cb -0.10 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 3miq s PHE 27 CO 0.28 -0.63 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.31 3miq s SER 28 N -2.61 1.21 -0.03 1.98 0.01 -1.26 -0.38 113.70 112.63 3miq s SER 28 Ca 0.06 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.73 3miq s SER 28 Cb -0.01 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3miq s SER 28 CO -0.07 -0.18 -0.09 -0.69 0.41 0.00 0.00 173.24 172.62 3miq s VAL 29 N -1.57 0.80 -0.08 3.43 1.01 -0.03 -1.45 120.40 122.51 3miq s VAL 29 Ca -0.05 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3miq s VAL 29 Cb -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3miq s VAL 29 CO 0.01 0.25 -0.20 -0.55 0.00 0.00 0.00 175.10 174.60 3miq s SER 30 N 0.17 3.44 0.09 3.32 0.15 -0.33 -1.23 113.70 119.31 3miq s SER 30 Ca -0.03 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.25 3miq s SER 30 Cb -0.08 -1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 3miq s SER 30 CO 0.00 0.23 -0.14 -0.83 1.20 0.00 0.00 173.24 173.71 3miq s GLY 31 N -0.06 0.92 0.16 9.45 0.00 0.87 -0.75 107.32 117.92 3miq s GLY 31 Ca -0.05 -1.11 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 3miq s GLY 31 CO 0.04 -1.15 0.47 -1.83 0.00 0.00 0.00 173.10 170.63 3miq s GLU 32 N -2.16 1.23 0.00 2.90 1.03 -0.89 -1.14 118.70 119.67 3miq s GLU 32 Ca 0.02 -0.78 0.00 0.00 0.03 0.00 0.00 54.97 54.24 3miq s GLU 32 Cb -0.08 0.50 0.00 0.00 -0.80 0.00 0.00 34.13 33.75 3miq s GLU 32 CO 0.02 -0.50 0.00 0.41 -1.33 0.00 0.00 175.26 173.86 3miq n GLY 33 N -0.29 -0.57 3.41 -3.83 0.00 -1.10 -0.53 105.19 102.28 3miq n GLY 33 Ca -0.13 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3miq n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3miq s GLU 34 N -1.71 0.91 0.10 1.61 -1.05 -0.35 -1.19 118.70 117.03 3miq s GLU 34 Ca 0.00 0.06 0.06 0.00 -0.15 0.00 0.00 54.97 54.94 3miq s GLU 34 Cb 0.00 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 3miq s GLU 34 CO 0.00 -0.28 -0.04 0.20 0.95 0.00 0.00 175.26 176.09 3miq s GLY 35 N -1.29 1.85 -0.38 -3.83 0.00 0.06 -1.61 107.32 102.13 3miq s GLY 35 Ca -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.43 3miq s GLY 35 CO 0.07 -1.17 0.27 -0.35 0.00 0.00 0.00 173.10 171.92 3miq s ASP 36 N -2.31 2.22 0.51 1.64 -1.08 -0.08 -0.73 116.67 116.85 3miq s ASP 36 Ca 0.24 -2.54 0.18 0.00 -0.52 0.00 0.00 52.55 49.91 3miq s ASP 36 Cb -0.11 -0.37 1.29 0.00 -1.46 0.00 0.00 42.92 42.27 3miq s ASP 36 CO 0.16 -0.25 2.12 0.00 0.52 0.00 0.00 175.17 177.73 3miq h ALA 37 N 6.41 1.82 -1.03 3.66 0.00 -1.75 -1.58 119.26 126.80 3miq h ALA 37 Ca 0.15 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.27 3miq h ALA 37 Cb 0.95 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 3miq h ALA 37 CO 0.30 0.06 0.66 1.15 0.00 0.00 0.00 179.25 181.42 3miq h THR 38 N 0.00 0.53 -0.22 0.00 2.02 -1.85 0.15 112.91 113.55 3miq h THR 38 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3miq h THR 38 Cb 0.10 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3miq h THR 38 CO 0.01 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 3miq n TYR 39 N -4.66 0.49 -4.05 3.16 4.01 -0.66 -4.97 117.16 110.48 3miq n TYR 39 Ca 0.25 -0.69 -0.29 0.00 -0.16 0.00 0.00 57.90 57.01 3miq n TYR 39 Cb 0.85 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.72 3miq n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3miq n GLY 40 N -0.24 -0.30 3.21 2.72 0.00 0.54 -4.74 105.19 106.38 3miq n GLY 40 Ca 0.14 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 3miq n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3miq s LYS 41 N -6.70 3.09 -0.08 1.61 2.20 -0.80 -0.87 119.74 118.18 3miq s LYS 41 Ca 0.26 -0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3miq s LYS 41 Cb -0.14 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 3miq s LYS 41 CO 0.90 0.04 -0.05 -0.51 -0.36 0.00 0.00 175.35 175.38 3miq s LEU 42 N 0.69 3.29 -0.11 5.43 1.43 0.05 -0.90 118.68 128.56 3miq s LEU 42 Ca -0.09 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3miq s LEU 42 Cb -0.16 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3miq s LEU 42 CO 0.01 0.36 -0.13 0.42 0.23 0.00 0.00 176.35 177.25 3miq s THR 43 N -0.80 1.36 0.03 5.49 -4.23 -0.63 -2.21 115.64 114.65 3miq s THR 43 Ca 0.12 -0.53 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 3miq s THR 43 Cb -0.11 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 3miq s THR 43 CO 0.02 0.42 0.08 -0.76 -0.54 0.00 0.00 174.62 173.84 3miq s LEU 44 N 1.25 1.84 -0.07 4.79 1.43 -0.55 -1.21 118.68 126.16 3miq s LEU 44 Ca -0.02 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3miq s LEU 44 Cb -0.14 0.53 0.00 0.00 0.03 0.00 0.00 46.19 46.62 3miq s LEU 44 CO -0.05 -0.46 -0.18 -0.75 0.23 0.00 0.00 176.35 175.14 3miq s LYS 45 N -2.30 2.17 0.01 1.70 2.20 0.31 -0.92 119.74 122.91 3miq s LYS 45 Ca -0.08 -0.62 0.07 0.00 -0.36 0.00 0.00 55.97 54.98 3miq s LYS 45 Cb -0.03 -1.75 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 3miq s LYS 45 CO -0.03 0.14 -0.20 -0.06 -0.36 0.00 0.00 175.35 174.85 3miq s PHE 46 N 0.37 2.53 -0.06 4.03 0.40 0.60 -2.10 117.98 123.75 3miq s PHE 46 Ca -0.13 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3miq s PHE 46 Cb -0.15 -1.51 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 3miq s PHE 46 CO 0.05 0.16 -0.20 0.42 0.70 0.00 0.00 175.22 176.36 3miq s ILE 47 N -0.80 1.68 -0.45 0.64 -1.09 0.07 -1.24 121.20 120.02 3miq s ILE 47 Ca 0.13 -0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 3miq s ILE 47 Cb -0.10 -1.45 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 3miq s ILE 47 CO 0.02 0.48 1.29 0.00 -1.23 0.00 0.00 174.94 175.51 3miq n THR 49 N 6.98 0.00 0.03 0.00 -2.24 -0.53 -2.91 114.28 115.61 3miq n THR 49 Ca 0.14 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 3miq n THR 49 Cb 0.48 -0.11 0.18 0.00 -2.10 0.00 0.00 70.33 68.79 3miq n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3miq n THR 50 N -0.62 0.69 0.00 4.28 -2.24 -1.25 -4.94 114.28 110.20 3miq n THR 50 Ca 0.21 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3miq n THR 50 Cb 0.22 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3miq n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3miq n GLY 51 N 1.02 1.22 3.67 3.38 0.00 -1.15 -4.96 105.19 108.37 3miq n GLY 51 Ca 0.15 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3miq n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3miq s LYS 52 N 0.00 4.10 0.08 1.61 2.20 -1.26 -4.22 119.74 122.24 3miq s LYS 52 Ca 0.00 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.14 3miq s LYS 52 Cb 0.00 -3.53 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 3miq s LYS 52 CO 0.00 0.06 1.50 -1.17 -0.36 0.00 0.00 175.35 175.37 3miq s LEU 53 N 1.06 4.35 0.00 5.43 2.96 -1.26 -4.92 118.68 126.30 3miq s LEU 53 Ca 0.10 2.36 0.29 0.00 -0.22 0.00 0.00 54.13 56.66 3miq s LEU 53 Cb -0.14 -3.57 1.32 0.00 0.50 0.00 0.00 46.19 44.30 3miq s LEU 53 CO 0.05 -0.77 1.91 -2.65 -1.32 0.00 0.00 176.35 173.57 3miq n PRO 54 N 4.85 0.86 -4.26 0.98 -0.02 -1.26 -4.82 135.00 131.33 3miq n PRO 54 Ca 0.14 -0.28 -0.15 0.00 -2.02 0.00 0.00 63.50 61.19 3miq n PRO 54 Cb 0.42 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 3miq n PRO 54 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3miq s VAL 55 N -2.34 1.04 0.18 -1.45 -7.23 -1.26 -4.58 120.40 104.77 3miq s VAL 55 Ca 0.33 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 3miq s VAL 55 Cb 0.20 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 3miq s VAL 55 CO 0.44 -0.62 1.32 -2.84 -0.31 0.00 0.00 175.10 173.09 3miq s PRO 56 N -3.80 4.38 0.42 4.82 0.02 -1.26 -4.89 135.00 134.68 3miq s PRO 56 Ca 0.20 2.06 0.21 0.00 0.02 0.00 0.00 61.00 63.49 3miq s PRO 56 Cb 0.04 -3.20 1.18 0.00 0.02 0.00 0.00 34.50 32.53 3miq s PRO 56 CO 0.03 -0.29 1.77 -1.49 -0.33 0.00 0.00 177.00 176.69 3miq h TRP 57 N 5.61 0.56 0.00 6.54 4.06 -1.96 0.12 115.95 130.88 3miq h TRP 57 Ca -0.44 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.52 3miq h TRP 57 Cb 1.21 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3miq h TRP 57 CO 0.63 0.04 -0.05 -1.35 -3.56 0.00 0.00 178.44 174.14 3miq h PRO 58 N 0.32 0.00 0.00 0.49 0.11 -1.90 -1.64 132.00 129.38 3miq h PRO 58 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3miq h PRO 58 Cb 1.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.75 3miq h PRO 58 CO -0.26 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 177.83 3miq n THR 59 N -3.24 0.84 0.95 -1.15 -2.24 0.42 -2.66 114.28 107.21 3miq n THR 59 Ca -0.01 0.20 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 3miq n THR 59 Cb 0.26 -1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 67.31 3miq n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3miq n LEU 60 N -2.02 0.98 0.08 3.22 4.77 -0.62 -4.65 117.00 118.76 3miq n LEU 60 Ca 0.03 -0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 55.34 3miq n LEU 60 Cb 0.23 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 3miq n LEU 60 CO 0.19 0.24 0.52 0.58 -1.33 0.00 0.00 177.39 177.59 3miq h VAL 61 N 0.06 0.02 -0.78 4.08 2.07 -1.49 0.13 116.25 120.35 3miq h VAL 61 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3miq h VAL 61 Cb 0.48 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 3miq h VAL 61 CO 0.00 0.00 0.51 0.71 0.02 0.00 0.00 177.57 178.81 3miq h THR 62 N -0.70 1.04 -0.33 2.57 1.35 -1.82 -2.01 112.91 113.02 3miq h THR 62 Ca 0.01 -0.29 -0.09 0.00 -0.55 0.00 0.00 66.41 65.49 3miq h THR 62 Cb 0.73 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3miq h THR 62 CO -0.33 0.15 -0.17 0.74 -0.25 0.00 0.00 175.52 175.67 3miq h THR 63 N 0.83 1.29 0.00 6.82 2.02 -1.67 -3.45 112.91 118.75 3miq h THR 63 Ca 0.33 -1.28 -0.46 0.00 0.77 0.00 0.00 66.41 65.77 3miq h THR 63 Cb 0.24 1.42 0.04 0.00 -1.74 0.00 0.00 68.15 68.11 3miq h THR 63 CO -0.11 0.42 2.23 0.18 0.37 0.00 0.00 175.52 178.60 3miq n LEU 64 N -4.35 3.79 0.00 2.58 4.77 -0.03 -5.01 117.00 118.76 3miq n LEU 64 Ca -0.03 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 3miq n LEU 64 Cb 0.40 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3miq n LEU 64 CO 0.43 -0.15 0.00 1.33 -1.33 0.00 0.00 177.39 177.67 3miq n VAL 68 N 5.18 0.00 0.57 4.08 0.24 -1.26 -5.02 118.33 122.12 3miq n VAL 68 Ca 0.42 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.80 3miq n VAL 68 Cb 0.24 0.00 0.35 0.00 -1.47 0.00 0.00 33.84 32.97 3miq n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3miq n GLN 69 N 0.00 0.00 0.28 7.34 6.02 -1.26 -2.25 117.38 127.52 3miq n GLN 69 Ca 0.00 0.21 0.17 0.00 -0.01 0.00 0.00 57.00 57.37 3miq n GLN 69 Cb 0.00 -1.50 0.90 0.00 1.02 0.00 0.00 30.24 30.66 3miq n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3miq n PHE 71 N -2.74 0.47 -2.11 0.00 3.72 -0.95 -4.70 117.46 111.15 3miq n PHE 71 Ca -0.02 -0.23 -0.35 0.00 -0.05 0.00 0.00 57.45 56.79 3miq n PHE 71 Cb 0.14 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 3miq n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3miq s SER 72 N -1.03 5.43 -0.44 4.37 0.01 -0.16 -4.14 113.70 117.74 3miq s SER 72 Ca 0.24 2.26 -0.23 0.00 1.31 0.00 0.00 55.95 59.54 3miq s SER 72 Cb 0.13 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.79 3miq s SER 72 CO 0.17 -1.42 0.75 -0.60 0.41 0.00 0.00 173.24 172.54 3miq s ARG 73 N -3.36 3.39 -0.43 12.44 3.52 -0.05 -4.76 118.95 129.70 3miq s ARG 73 Ca 0.75 -0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.98 3miq s ARG 73 Cb -0.27 -3.93 0.02 0.00 -1.56 0.00 0.00 34.95 29.21 3miq s ARG 73 CO 0.31 -1.08 0.69 0.71 -0.81 0.00 0.00 175.30 175.12 3miq s TYR 74 N 3.17 3.05 0.77 5.12 1.51 -1.26 -1.12 117.35 128.59 3miq s TYR 74 Ca 0.28 0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 56.25 3miq s TYR 74 Cb -0.13 -3.43 0.05 0.00 -0.11 0.00 0.00 41.96 38.34 3miq s TYR 74 CO 0.21 -0.88 1.09 -2.30 -1.11 0.00 0.00 175.55 172.56 3miq n PRO 75 N 6.38 0.35 -0.27 -1.71 -0.02 -1.26 -4.60 135.00 133.87 3miq n PRO 75 Ca -0.00 0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3miq n PRO 75 Cb 0.48 -2.34 0.17 0.00 -0.02 0.00 0.00 33.50 31.79 3miq n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3miq h ASP 76 N -0.60 -0.36 0.00 2.55 3.45 -2.00 0.71 116.42 120.17 3miq h ASP 76 Ca -0.47 0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.20 3miq h ASP 76 Cb 1.31 0.36 0.00 0.00 -0.56 0.00 0.00 39.33 40.45 3miq h ASP 76 CO 0.46 -0.20 0.00 0.00 -1.57 0.00 0.00 179.24 177.94 3miq n HIS 77 N -5.36 0.00 -0.60 4.55 1.44 -1.26 -1.92 115.22 112.08 3miq n HIS 77 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 3miq n HIS 77 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 3miq n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3miq n MET 78 N -0.68 0.18 -0.24 -1.40 2.81 0.23 -4.86 117.12 113.16 3miq n MET 78 Ca 0.02 -0.09 0.32 0.00 -1.81 0.00 0.00 57.70 56.14 3miq n MET 78 Cb 0.01 -0.51 0.67 0.00 -0.71 0.00 0.00 33.22 32.68 3miq n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3miq h LYS 79 N 0.00 0.00 0.00 0.03 1.57 -1.18 1.03 116.57 118.02 3miq h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3miq h LYS 79 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3miq h LYS 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3miq n GLN 80 N -3.74 0.18 -0.21 3.15 0.00 -1.26 -2.99 117.38 112.51 3miq n GLN 80 Ca 0.23 0.04 0.10 0.00 0.00 0.00 0.00 57.00 57.37 3miq n GLN 80 Cb 1.28 -1.50 0.21 0.00 0.00 0.00 0.00 30.24 30.23 3miq n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3miq n HIS 81 N -1.40 0.56 -2.80 2.61 8.25 0.36 -4.72 115.22 118.08 3miq n HIS 81 Ca 0.09 -0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 56.79 3miq n HIS 81 Cb 0.26 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 3miq n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3miq s ASP 82 N -1.24 6.82 0.13 0.41 -1.08 -1.16 -4.60 116.67 115.94 3miq s ASP 82 Ca 0.36 -2.39 -0.16 0.00 -0.52 0.00 0.00 52.55 49.84 3miq s ASP 82 Cb 0.20 -2.47 -0.01 0.00 -1.46 0.00 0.00 42.92 39.18 3miq s ASP 82 CO 0.28 -1.04 1.67 0.15 0.52 0.00 0.00 175.17 176.74 3miq h PHE 83 N 8.09 0.59 -0.37 -5.34 3.57 -1.88 -3.09 116.94 118.51 3miq h PHE 83 Ca 0.29 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.81 3miq h PHE 83 Cb 0.93 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 3miq h PHE 83 CO 1.22 0.54 -0.12 0.74 -2.23 0.00 0.00 178.31 178.46 3miq h PHE 84 N 0.47 -0.28 -0.20 0.41 0.04 -1.90 -1.47 116.94 114.01 3miq h PHE 84 Ca 0.13 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 3miq h PHE 84 Cb 0.21 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3miq h PHE 84 CO 0.00 -0.19 -0.44 0.87 -0.60 0.00 0.00 178.31 177.95 3miq h LYS 85 N -0.04 0.49 0.00 1.51 1.57 -1.84 -3.19 116.57 115.07 3miq h LYS 85 Ca 0.18 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3miq h LYS 85 Cb 0.32 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3miq h LYS 85 CO -0.40 0.84 -0.11 0.66 -0.57 0.00 0.00 179.45 179.86 3miq h SER 86 N 0.40 0.00 -0.04 0.86 4.64 -1.19 -1.42 113.55 116.81 3miq h SER 86 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3miq h SER 86 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3miq h SER 86 CO 0.08 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 3miq n ALA 87 N -2.31 2.61 -2.27 5.18 0.00 -1.00 -4.62 120.51 118.10 3miq n ALA 87 Ca -0.02 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 3miq n ALA 87 Cb 0.22 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 3miq n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3miq s MET 88 N -1.96 3.91 0.00 0.00 1.00 -0.53 -0.33 119.30 121.39 3miq s MET 88 Ca 0.35 0.49 0.25 0.00 0.00 0.00 0.00 55.69 56.78 3miq s MET 88 Cb 0.17 -2.54 0.44 0.00 0.00 0.00 0.00 34.83 32.89 3miq s MET 88 CO 0.28 0.24 1.37 -0.35 0.00 0.00 0.00 175.02 176.56 3miq n PRO 89 N -0.23 1.33 0.21 2.03 -0.05 -1.26 -4.30 135.00 132.74 3miq n PRO 89 Ca 0.02 -0.97 0.07 0.00 -0.05 0.00 0.00 63.50 62.57 3miq n PRO 89 Cb 0.53 -1.48 0.47 0.00 -0.05 0.00 0.00 33.50 32.96 3miq n PRO 89 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 3miq h GLU 90 N 2.37 0.00 0.00 0.54 3.07 -1.90 -2.39 114.58 116.27 3miq h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3miq h GLU 90 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3miq h GLU 90 CO 0.00 0.29 0.00 0.41 -1.40 0.00 0.00 179.01 178.31 3miq n GLY 91 N -0.24 -1.83 3.10 -3.84 0.00 0.55 -4.62 105.19 98.32 3miq n GLY 91 Ca -0.01 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 3miq n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3miq s TYR 92 N 0.00 0.38 -0.19 1.61 -0.85 -0.40 -0.79 117.35 117.12 3miq s TYR 92 Ca 0.00 -0.84 -0.14 0.00 -0.52 0.00 0.00 57.07 55.57 3miq s TYR 92 Cb 0.00 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 3miq s TYR 92 CO 0.00 -0.38 0.32 0.08 -1.52 0.00 0.00 175.55 174.05 3miq s VAL 93 N -3.41 5.27 -0.19 -3.49 1.01 0.11 -1.53 120.40 118.17 3miq s VAL 93 Ca 0.02 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3miq s VAL 93 Cb 0.04 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3miq s VAL 93 CO -0.08 0.32 -0.14 -1.58 0.00 0.00 0.00 175.10 173.62 3miq s GLN 94 N 0.93 3.16 -0.01 2.72 0.74 -0.31 -1.63 119.66 125.27 3miq s GLN 94 Ca 0.16 -0.75 0.06 0.00 0.05 0.00 0.00 55.36 54.89 3miq s GLN 94 Cb -0.14 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 3miq s GLN 94 CO 0.06 -0.16 -0.19 -1.21 -0.55 0.00 0.00 175.29 173.23 3miq s GLU 95 N 1.26 1.53 0.02 1.67 2.02 -0.41 -0.50 118.70 124.28 3miq s GLU 95 Ca 0.03 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 3miq s GLU 95 Cb -0.14 -1.49 -0.02 0.00 0.10 0.00 0.00 34.13 32.58 3miq s GLU 95 CO -0.07 0.41 0.01 1.03 0.02 0.00 0.00 175.26 176.65 3miq s ARG 96 N -0.53 0.36 -0.13 1.61 0.52 -0.61 -1.19 118.95 118.98 3miq s ARG 96 Ca 0.07 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3miq s ARG 96 Cb -0.07 0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.55 3miq s ARG 96 CO -0.00 -0.07 -0.15 0.99 0.02 0.00 0.00 175.30 176.09 3miq s THR 97 N -1.59 1.54 -0.25 0.02 2.01 -0.27 -0.74 115.64 116.37 3miq s THR 97 Ca -0.14 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 3miq s THR 97 Cb -0.09 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 70.99 3miq s THR 97 CO -0.01 0.45 0.00 -0.63 -0.69 0.00 0.00 174.62 173.75 3miq s ILE 98 N 1.20 3.61 -0.37 1.82 1.01 0.17 -1.66 121.20 126.97 3miq s ILE 98 Ca -0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 3miq s ILE 98 Cb -0.14 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3miq s ILE 98 CO -0.05 0.29 0.34 -0.36 0.00 0.00 0.00 174.94 175.15 3miq s PHE 99 N 1.49 3.21 -0.21 3.97 0.08 0.60 -1.63 117.98 125.49 3miq s PHE 99 Ca 0.04 -0.27 -0.26 0.00 0.12 0.00 0.00 56.93 56.56 3miq s PHE 99 Cb -0.15 -2.65 -0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3miq s PHE 99 CO -0.01 -0.51 0.88 -0.06 -0.10 0.00 0.00 175.22 175.43 3miq s PHE 100 N 1.90 3.37 0.12 0.36 0.40 -0.78 0.01 117.98 123.36 3miq s PHE 100 Ca 0.09 1.27 -0.35 0.00 -0.60 0.00 0.00 56.93 57.35 3miq s PHE 100 Cb -0.17 -3.09 -0.14 0.00 0.51 0.00 0.00 43.02 40.12 3miq s PHE 100 CO 0.11 -0.35 1.55 1.17 0.70 0.00 0.00 175.22 178.40 3miq n LYS 101 N 5.74 1.91 -1.85 0.44 3.00 -0.46 -1.29 118.16 125.66 3miq n LYS 101 Ca 0.07 0.69 -0.20 0.00 -0.00 0.00 0.00 58.31 58.87 3miq n LYS 101 Cb 0.48 -2.44 -0.06 0.00 0.00 0.00 0.00 35.03 33.01 3miq n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3miq n ASP 102 N 3.46 -5.50 -0.17 3.14 8.00 -1.26 -4.90 116.55 119.32 3miq n ASP 102 Ca 0.18 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3miq n ASP 102 Cb 0.26 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 3miq n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3miq n ASP 103 N -1.41 0.00 -2.71 -2.24 -0.08 -0.41 -4.96 116.55 104.74 3miq n ASP 103 Ca -0.21 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 3miq n ASP 103 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 3miq n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3miq n GLY 104 N 0.00 -1.39 3.12 0.27 0.00 -1.17 -4.58 105.19 101.44 3miq n GLY 104 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 3miq n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miq s ASN 105 N -1.17 -0.11 0.04 1.61 2.20 -0.82 -1.86 114.94 114.83 3miq s ASN 105 Ca 0.00 0.12 -0.05 0.00 -0.94 0.00 0.00 52.86 51.99 3miq s ASN 105 Cb 0.00 0.32 -0.05 0.00 -2.00 0.00 0.00 41.25 39.53 3miq s ASN 105 CO 0.00 -0.25 0.27 -0.31 -2.94 0.00 0.00 177.10 173.87 3miq s TYR 106 N -0.71 3.54 -0.11 1.54 2.02 -0.65 -2.07 117.35 120.91 3miq s TYR 106 Ca -0.08 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 3miq s TYR 106 Cb -0.05 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3miq s TYR 106 CO 0.01 0.58 -0.14 0.15 -1.57 0.00 0.00 175.55 174.59 3miq s LYS 107 N -2.09 2.07 0.11 -0.62 1.02 0.55 -0.65 119.74 120.12 3miq s LYS 107 Ca 0.31 -0.50 0.09 0.00 0.02 0.00 0.00 55.97 55.90 3miq s LYS 107 Cb -0.13 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 3miq s LYS 107 CO 0.20 -0.11 -0.23 0.95 -0.92 0.00 0.00 175.35 175.24 3miq s THR 108 N 1.14 1.88 -0.05 2.17 -4.23 0.08 -2.03 115.64 114.60 3miq s THR 108 Ca -0.04 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3miq s THR 108 Cb -0.14 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.04 3miq s THR 108 CO -0.03 -0.01 0.03 -0.60 -0.54 0.00 0.00 174.62 173.46 3miq s ARG 109 N -1.94 0.25 0.16 3.99 3.52 -0.76 -1.58 118.95 122.59 3miq s ARG 109 Ca 0.09 0.22 0.06 0.00 -0.13 0.00 0.00 55.73 55.97 3miq s ARG 109 Cb -0.10 -0.68 -0.04 0.00 -1.56 0.00 0.00 34.95 32.57 3miq s ARG 109 CO 0.05 -0.28 -0.13 0.00 -0.81 0.00 0.00 175.30 174.12 3miq s ALA 110 N 1.87 1.69 -0.13 6.12 0.00 0.34 -1.14 121.76 130.51 3miq s ALA 110 Ca 0.02 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.51 3miq s ALA 110 Cb -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3miq s ALA 110 CO -0.04 0.05 -0.14 -1.21 0.00 0.00 0.00 175.76 174.42 3miq s GLU 111 N -3.27 2.24 -0.33 0.00 2.02 -0.33 -1.16 118.70 117.86 3miq s GLU 111 Ca 0.16 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 3miq s GLU 111 Cb -0.02 -1.99 0.05 0.00 0.10 0.00 0.00 34.13 32.27 3miq s GLU 111 CO 0.04 -0.15 0.08 0.08 0.02 0.00 0.00 175.26 175.33 3miq s VAL 112 N 1.25 3.52 0.20 2.63 1.01 -0.58 -2.08 120.40 126.35 3miq s VAL 112 Ca -0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 3miq s VAL 112 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3miq s VAL 112 CO -0.06 -0.19 0.22 -1.59 0.00 0.00 0.00 175.10 173.47 3miq s LYS 113 N 1.34 1.24 0.13 2.72 -2.85 -0.95 -1.27 119.74 120.11 3miq s LYS 113 Ca -0.02 -1.46 -0.20 0.00 -1.00 0.00 0.00 55.97 53.29 3miq s LYS 113 Cb -0.20 0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 3miq s LYS 113 CO 0.01 -0.44 0.65 -0.06 0.10 0.00 0.00 175.35 175.61 3miq s PHE 114 N -4.09 3.77 -0.33 1.78 0.08 -0.90 -0.78 117.98 117.51 3miq s PHE 114 Ca 0.31 1.35 -0.00 0.00 0.12 0.00 0.00 56.93 58.71 3miq s PHE 114 Cb 0.05 -2.57 0.11 0.00 -0.57 0.00 0.00 43.02 40.03 3miq s PHE 114 CO 0.09 0.50 0.12 -1.21 -0.10 0.00 0.00 175.22 174.61 3miq s GLU 115 N -1.41 0.78 4.67 0.44 2.02 -0.26 -4.92 118.70 120.03 3miq s GLU 115 Ca 0.35 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3miq s GLU 115 Cb -0.19 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.02 3miq s GLU 115 CO 0.21 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.89 3miq n GLY 116 N 4.68 1.27 0.20 -1.39 0.00 -1.26 -2.71 105.19 105.97 3miq n GLY 116 Ca -0.00 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.43 3miq n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3miq n ASP 117 N 2.68 0.62 -4.77 1.61 8.00 -1.26 -4.86 116.55 118.57 3miq n ASP 117 Ca 0.00 -1.16 -0.36 0.00 0.71 0.00 0.00 54.79 53.97 3miq n ASP 117 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3miq n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3miq s THR 118 N -2.03 5.37 -0.29 -3.53 2.01 -1.10 -4.36 115.64 111.70 3miq s THR 118 Ca 0.43 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.53 3miq s THR 118 Cb 0.21 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.21 3miq s THR 118 CO 0.36 0.48 0.91 -0.22 -0.69 0.00 0.00 174.62 175.46 3miq s LEU 119 N -0.05 4.04 -0.07 4.42 1.98 -0.33 -1.10 118.68 127.58 3miq s LEU 119 Ca 0.14 0.91 0.04 0.00 -2.89 0.00 0.00 54.13 52.33 3miq s LEU 119 Cb -0.12 -3.28 -0.02 0.00 0.66 0.00 0.00 46.19 43.43 3miq s LEU 119 CO 0.03 -0.68 -0.18 -0.69 -1.89 0.00 0.00 176.35 172.93 3miq s VAL 120 N 3.17 2.68 -0.24 1.68 1.01 0.04 -1.37 120.40 127.37 3miq s VAL 120 Ca 0.38 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3miq s VAL 120 Cb -0.14 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.26 3miq s VAL 120 CO 0.12 0.57 -0.08 0.21 0.00 0.00 0.00 175.10 175.92 3miq s ASN 121 N -0.27 3.97 -0.19 3.32 2.47 0.08 -2.23 114.94 122.09 3miq s ASN 121 Ca 0.01 -1.21 -0.01 0.00 0.42 0.00 0.00 52.86 52.07 3miq s ASN 121 Cb -0.13 -1.30 0.00 0.00 -1.45 0.00 0.00 41.25 38.37 3miq s ASN 121 CO 0.03 -0.21 -0.11 -0.13 -3.72 0.00 0.00 177.10 172.95 3miq s ARG 122 N 1.31 3.24 0.06 0.43 0.52 -0.88 -0.80 118.95 122.82 3miq s ARG 122 Ca -0.06 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3miq s ARG 122 Cb -0.19 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 3miq s ARG 122 CO -0.06 -0.13 -0.20 0.42 0.02 0.00 0.00 175.30 175.35 3miq s ILE 123 N 1.22 1.62 -0.09 1.52 1.01 0.46 -1.19 121.20 125.76 3miq s ILE 123 Ca 0.02 -1.28 0.03 0.00 0.00 0.00 0.00 60.65 59.43 3miq s ILE 123 Cb -0.14 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 3miq s ILE 123 CO -0.05 0.11 -0.19 -1.61 0.00 0.00 0.00 174.94 173.20 3miq s GLU 124 N -1.38 2.90 0.02 2.79 2.02 -0.29 -1.97 118.70 122.78 3miq s GLU 124 Ca 0.06 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.33 3miq s GLU 124 Cb -0.09 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 3miq s GLU 124 CO 0.02 0.34 -0.17 -1.17 0.02 0.00 0.00 175.26 174.31 3miq s LEU 125 N -0.03 2.10 -0.09 1.80 0.20 0.08 -1.82 118.68 120.92 3miq s LEU 125 Ca -0.05 -0.40 -0.04 0.00 0.69 0.00 0.00 54.13 54.33 3miq s LEU 125 Cb -0.14 -0.81 0.05 0.00 -0.43 0.00 0.00 46.19 44.85 3miq s LEU 125 CO 0.05 0.15 0.19 -0.75 -0.29 0.00 0.00 176.35 175.69 3miq s LYS 126 N -0.79 0.08 -0.02 1.98 2.47 -0.86 -1.61 119.74 121.00 3miq s LYS 126 Ca 0.05 0.58 0.08 0.00 -1.56 0.00 0.00 55.97 55.12 3miq s LYS 126 Cb -0.07 -0.19 -0.02 0.00 -1.46 0.00 0.00 37.83 36.09 3miq s LYS 126 CO 0.01 -0.27 -0.25 0.20 0.16 0.00 0.00 175.35 175.20 3miq s GLY 127 N 2.07 1.21 0.24 5.54 0.00 0.82 -0.33 107.32 116.88 3miq s GLY 127 Ca -0.00 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3miq s GLY 127 CO -0.07 -0.89 0.13 -0.26 0.00 0.00 0.00 173.10 172.01 3miq s ILE 128 N -0.59 0.21 -0.92 0.90 -5.25 -0.88 -1.24 121.20 113.43 3miq s ILE 128 Ca 0.10 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.76 3miq s ILE 128 Cb -0.10 -2.54 0.00 0.00 2.95 0.00 0.00 42.46 42.77 3miq s ILE 128 CO -0.01 0.00 0.00 0.47 -1.79 0.00 0.00 174.94 173.61 3miq n ASP 129 N -0.50 -4.39 -4.80 4.36 8.00 -1.26 -1.94 116.55 116.03 3miq n ASP 129 Ca 0.02 0.21 -0.35 0.00 0.71 0.00 0.00 54.79 55.38 3miq n ASP 129 Cb 0.66 -2.65 -0.07 0.00 -0.02 0.00 0.00 41.12 39.04 3miq n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3miq s PHE 130 N -2.21 3.47 0.02 1.24 0.40 -1.26 -3.04 117.98 116.60 3miq s PHE 130 Ca 0.00 1.69 -0.28 0.00 -0.60 0.00 0.00 56.93 57.73 3miq s PHE 130 Cb 0.00 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 3miq s PHE 130 CO 0.00 -0.01 0.91 0.15 0.70 0.00 0.00 175.22 176.97 3miq s LYS 131 N -2.65 4.57 0.52 0.44 1.02 -1.26 -4.91 119.74 117.47 3miq s LYS 131 Ca 0.57 1.30 0.33 0.00 0.02 0.00 0.00 55.97 58.19 3miq s LYS 131 Cb -0.14 -3.43 1.47 0.00 -0.52 0.00 0.00 37.83 35.21 3miq s LYS 131 CO 0.19 0.07 1.99 0.93 -0.92 0.00 0.00 175.35 177.61 3miq h GLU 132 N 6.37 0.00 -0.22 1.68 4.39 -1.96 -2.29 114.58 122.54 3miq h GLU 132 Ca -0.42 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.10 3miq h GLU 132 Cb 1.21 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.67 3miq h GLU 132 CO 0.74 0.00 -0.70 -3.47 -1.16 0.00 0.00 179.01 174.42 3miq n ASP 133 N -2.93 2.42 -2.22 1.42 4.64 -1.26 -4.00 116.55 114.61 3miq n ASP 133 Ca 0.00 -3.48 0.00 0.00 -1.38 0.00 0.00 54.79 49.93 3miq n ASP 133 Cb 0.25 -0.45 0.00 0.00 -1.04 0.00 0.00 41.12 39.88 3miq n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3miq n GLY 134 N -0.76 -0.30 0.16 0.27 0.00 -0.86 -4.72 105.19 98.98 3miq n GLY 134 Ca 0.23 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3miq n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3miq h ASN 135 N 0.00 0.16 0.00 1.61 2.35 -1.93 -1.49 115.58 116.28 3miq h ASN 135 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3miq h ASN 135 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3miq h ASN 135 CO 0.00 0.69 0.00 -0.38 -1.65 0.00 0.00 177.43 176.09 3miq n ILE 136 N -3.89 0.00 0.22 2.81 -0.00 -1.26 -0.83 119.36 116.41 3miq n ILE 136 Ca -0.02 0.41 0.13 0.00 -0.00 0.00 0.00 62.75 63.28 3miq n ILE 136 Cb 0.58 -1.24 0.75 0.00 -0.00 0.00 0.00 39.64 39.72 3miq n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3miq h LEU 137 N 0.00 0.00 -0.26 1.39 3.38 -1.77 -0.07 115.31 117.99 3miq h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3miq h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3miq h LEU 137 CO 0.00 0.00 -0.06 0.61 0.09 0.00 0.00 178.44 179.08 3miq n GLY 138 N -1.48 -0.85 3.34 0.83 0.00 -0.56 -4.91 105.19 101.55 3miq n GLY 138 Ca -0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 3miq n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3miq n HIS 139 N -0.84 -2.35 -0.14 1.61 8.25 -0.04 -4.95 115.22 116.77 3miq n HIS 139 Ca 0.17 0.82 0.03 0.00 -0.26 0.00 0.00 57.72 58.49 3miq n HIS 139 Cb 0.24 -4.19 0.09 0.00 1.12 0.00 0.00 29.99 27.26 3miq n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3miq n LYS 140 N -3.50 2.90 -3.17 -0.41 5.02 -0.01 -4.97 118.16 114.02 3miq n LYS 140 Ca -0.11 -1.85 -0.39 0.00 -2.02 0.00 0.00 58.31 53.94 3miq n LYS 140 Cb 0.63 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.40 3miq n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3miq s LEU 141 N -1.09 4.42 0.76 -0.35 1.43 -1.25 -1.20 118.68 121.40 3miq s LEU 141 Ca 0.14 1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 3miq s LEU 141 Cb 0.08 -2.97 0.06 0.00 0.03 0.00 0.00 46.19 43.38 3miq s LEU 141 CO 0.09 0.08 1.23 -1.61 0.23 0.00 0.00 176.35 176.36 3miq s GLU 142 N -0.14 1.91 -1.21 1.70 2.02 -0.03 -4.84 118.70 118.11 3miq s GLU 142 Ca 0.32 1.82 -0.12 0.00 0.02 0.00 0.00 54.97 57.02 3miq s GLU 142 Cb -0.19 -1.80 0.18 0.00 0.10 0.00 0.00 34.13 32.43 3miq s GLU 142 CO 0.18 -2.02 1.50 0.98 0.02 0.00 0.00 175.26 175.92 3miq n TYR 143 N -2.91 4.54 -3.83 1.61 9.36 -1.26 -4.86 117.16 119.82 3miq n TYR 143 Ca 0.14 -3.28 -0.06 0.00 3.32 0.00 0.00 57.90 58.02 3miq n TYR 143 Cb 0.50 -2.08 -0.01 0.00 -0.63 0.00 0.00 39.34 37.12 3miq n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3miq s ASN 144 N 2.19 -0.20 0.03 2.98 2.20 -1.26 -4.87 114.94 116.00 3miq s ASN 144 Ca 0.41 -0.62 -0.00 0.00 -0.94 0.00 0.00 52.86 51.71 3miq s ASN 144 Cb -0.01 0.68 -0.02 0.00 -2.00 0.00 0.00 41.25 39.89 3miq s ASN 144 CO -0.00 -1.27 -0.03 -0.47 -2.94 0.00 0.00 177.10 172.39 3miq s TYR 145 N -3.53 0.32 0.35 1.54 6.14 -1.26 -4.83 117.35 116.07 3miq s TYR 145 Ca 0.12 -0.65 0.05 0.00 0.64 0.00 0.00 57.07 57.24 3miq s TYR 145 Cb -0.05 -0.24 0.05 0.00 0.42 0.00 0.00 41.96 42.15 3miq s TYR 145 CO 0.06 -0.23 0.41 0.09 0.64 0.00 0.00 175.55 176.52 3miq n ASN 146 N 1.28 1.54 -4.34 4.32 3.02 -1.26 -4.65 115.26 115.16 3miq n ASN 146 Ca -0.22 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 51.99 3miq n ASN 146 Cb 0.56 -0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 39.41 3miq n ASN 146 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3miq s SER 147 N -3.11 4.00 0.33 6.41 0.01 -1.26 -4.18 113.70 115.90 3miq s SER 147 Ca 0.31 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.25 3miq s SER 147 Cb -0.02 -1.62 -0.07 0.00 0.21 0.00 0.00 66.02 64.52 3miq s SER 147 CO 0.20 0.12 0.04 -1.00 0.41 0.00 0.00 173.24 173.01 3miq s HIS 148 N 0.61 2.03 -0.22 2.43 3.76 -1.01 -4.93 115.29 117.96 3miq s HIS 148 Ca -0.07 -0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 53.89 3miq s HIS 148 Cb -0.15 -1.33 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 3miq s HIS 148 CO 0.03 0.08 -0.02 -0.80 -0.85 0.00 0.00 174.74 173.18 3miq s ASN 149 N -3.51 4.51 -0.43 1.40 0.01 -1.26 -1.58 114.94 114.08 3miq s ASN 149 Ca 0.36 -0.33 -0.15 0.00 -0.71 0.00 0.00 52.86 52.03 3miq s ASN 149 Cb 0.09 -1.78 0.04 0.00 0.41 0.00 0.00 41.25 40.01 3miq s ASN 149 CO 0.16 -0.00 0.34 -0.69 -1.51 0.00 0.00 177.10 175.39 3miq s VAL 150 N 1.38 5.24 -0.23 1.60 1.01 0.55 -4.63 120.40 125.33 3miq s VAL 150 Ca 0.05 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 3miq s VAL 150 Cb -0.14 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3miq s VAL 150 CO -0.01 -0.40 0.81 -0.31 0.00 0.00 0.00 175.10 175.19 3miq s TYR 151 N 1.69 3.33 0.06 5.22 2.02 -0.72 -0.20 117.35 128.75 3miq s TYR 151 Ca 0.05 1.13 0.06 0.00 -0.37 0.00 0.00 57.07 57.94 3miq s TYR 151 Cb -0.21 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 3miq s TYR 151 CO 0.09 -0.37 -0.10 0.42 -1.57 0.00 0.00 175.55 174.02 3miq s ILE 152 N 2.69 3.36 -0.06 2.71 1.01 -0.30 -1.18 121.20 129.44 3miq s ILE 152 Ca 0.35 -1.10 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 3miq s ILE 152 Cb -0.15 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 39.85 3miq s ILE 152 CO 0.08 0.23 0.55 -0.32 0.00 0.00 0.00 174.94 175.48 3miq s MET 153 N -1.84 0.88 0.36 2.79 1.75 -0.83 -2.26 119.30 120.15 3miq s MET 153 Ca 0.19 0.20 -0.19 0.00 -1.25 0.00 0.00 55.69 54.64 3miq s MET 153 Cb -0.11 0.41 -0.10 0.00 2.84 0.00 0.00 34.83 37.87 3miq s MET 153 CO 0.11 -0.25 0.85 0.00 -0.65 0.00 0.00 175.02 175.08 3miq s ALA 154 N -1.01 3.20 -0.64 4.11 0.00 -1.25 -0.40 121.76 125.78 3miq s ALA 154 Ca -0.10 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.17 3miq s ALA 154 Cb -0.02 -2.98 0.17 0.00 0.00 0.00 0.00 23.12 20.28 3miq s ALA 154 CO 0.07 0.23 0.45 0.34 0.00 0.00 0.00 175.76 176.85 3miq s ASP 155 N -2.10 4.15 0.25 0.00 3.68 0.26 -4.66 116.67 118.25 3miq s ASP 155 Ca 0.56 -3.66 -0.04 0.00 2.13 0.00 0.00 52.55 51.54 3miq s ASP 155 Cb -0.11 -1.40 0.46 0.00 -1.45 0.00 0.00 42.92 40.42 3miq s ASP 155 CO 0.17 -0.11 1.72 0.11 0.13 0.00 0.00 175.17 177.19 3miq h LYS 156 N 5.51 0.40 -0.86 4.34 1.79 -1.96 -1.21 116.57 124.58 3miq h LYS 156 Ca 0.16 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 3miq h LYS 156 Cb 0.79 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.29 3miq h LYS 156 CO 0.65 0.27 0.55 1.96 -1.08 0.00 0.00 179.45 181.79 3miq h GLN 157 N 0.42 1.00 -0.02 3.15 4.20 -1.93 -1.26 115.11 120.67 3miq h GLN 157 Ca 0.42 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3miq h GLN 157 Cb 0.65 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3miq h GLN 157 CO -0.42 0.66 -0.02 1.63 -0.67 0.00 0.00 178.83 180.01 3miq n LYS 158 N -4.58 1.78 -3.45 1.46 5.02 -0.84 -4.93 118.16 112.62 3miq n LYS 158 Ca 0.11 -1.19 -0.19 0.00 -2.02 0.00 0.00 58.31 55.02 3miq n LYS 158 Cb 0.13 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3miq n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3miq n ASN 159 N 0.43 -4.12 0.00 4.39 5.15 -0.48 -4.74 115.26 115.89 3miq n ASN 159 Ca 0.17 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 3miq n ASN 159 Cb 0.42 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 34.83 3miq n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3miq n GLY 160 N -1.53 3.90 3.44 8.20 0.00 -0.63 -4.36 105.19 114.20 3miq n GLY 160 Ca -0.13 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 3miq n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3miq s ILE 161 N -1.25 2.35 -0.07 -0.61 -4.36 -0.96 0.91 121.20 117.22 3miq s ILE 161 Ca 0.00 -2.23 0.03 0.00 -0.26 0.00 0.00 60.65 58.19 3miq s ILE 161 Cb 0.00 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.52 3miq s ILE 161 CO 0.00 -0.30 -0.16 -0.75 0.24 0.00 0.00 174.94 173.97 3miq s LYS 162 N -3.16 1.99 -0.04 0.37 2.20 0.46 -1.78 119.74 119.79 3miq s LYS 162 Ca 0.25 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 3miq s LYS 162 Cb -0.06 -1.62 -0.00 0.00 -1.51 0.00 0.00 37.83 34.64 3miq s LYS 162 CO 0.12 0.10 -0.17 0.08 -0.36 0.00 0.00 175.35 175.13 3miq s VAL 163 N 0.46 1.37 0.02 4.02 1.01 -0.03 -1.96 120.40 125.29 3miq s VAL 163 Ca -0.13 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3miq s VAL 163 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3miq s VAL 163 CO 0.05 0.40 -0.05 0.20 0.00 0.00 0.00 175.10 175.69 3miq s ASN 164 N -0.02 0.58 -0.22 3.32 0.01 -0.33 -0.65 114.94 117.64 3miq s ASN 164 Ca -0.02 -0.33 -0.36 0.00 -0.71 0.00 0.00 52.86 51.44 3miq s ASN 164 Cb -0.10 0.01 0.15 0.00 0.41 0.00 0.00 41.25 41.72 3miq s ASN 164 CO 0.02 -0.11 1.41 0.72 -1.51 0.00 0.00 177.10 177.63 3miq s PHE 165 N -0.81 -0.01 -0.12 2.20 -0.71 -1.14 -1.76 117.98 115.63 3miq s PHE 165 Ca -0.06 0.00 0.02 0.00 -1.04 0.00 0.00 56.93 55.86 3miq s PHE 165 Cb -0.06 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.26 3miq s PHE 165 CO -0.00 -0.02 -0.18 0.15 -1.34 0.00 0.00 175.22 173.83 3miq s LYS 166 N -2.03 2.56 -0.06 1.99 1.02 -1.26 -0.89 119.74 121.07 3miq s LYS 166 Ca 0.13 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.31 3miq s LYS 166 Cb 0.02 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 3miq s LYS 166 CO -0.04 -0.02 0.32 0.42 -0.92 0.00 0.00 175.35 175.11 3miq s ILE 167 N 0.86 5.21 -0.39 2.17 -1.09 -0.68 -4.87 121.20 122.41 3miq s ILE 167 Ca -0.08 0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 58.87 3miq s ILE 167 Cb -0.15 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 3miq s ILE 167 CO -0.01 0.55 0.21 -0.13 -1.23 0.00 0.00 174.94 174.33 3miq s ARG 168 N -0.73 2.71 -0.26 2.79 0.52 -1.26 -1.14 118.95 121.58 3miq s ARG 168 Ca 0.20 -1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 54.00 3miq s ARG 168 Cb -0.15 -3.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 3miq s ARG 168 CO 0.09 -0.79 0.47 -1.01 0.02 0.00 0.00 175.30 174.08 3miq s HIS 169 N 1.48 3.27 -0.11 -0.53 3.76 0.08 -4.47 115.29 118.78 3miq s HIS 169 Ca 0.02 0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 55.20 3miq s HIS 169 Cb -0.21 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 3miq s HIS 169 CO 0.04 -0.26 1.45 -0.80 -0.85 0.00 0.00 174.74 174.33 3miq s ASN 170 N 1.55 6.81 0.13 1.40 0.01 -1.26 -0.60 114.94 122.98 3miq s ASN 170 Ca 0.19 1.96 -0.06 0.00 -0.71 0.00 0.00 52.86 54.24 3miq s ASN 170 Cb -0.16 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 38.91 3miq s ASN 170 CO 0.09 -0.83 0.38 -0.63 -1.51 0.00 0.00 177.10 174.60 3miq s ILE 171 N 3.70 5.15 -0.39 0.60 1.09 0.01 -0.85 121.20 130.52 3miq s ILE 171 Ca 0.64 0.13 0.25 0.00 -1.10 0.00 0.00 60.65 60.57 3miq s ILE 171 Cb -0.27 -3.62 0.27 0.00 -1.06 0.00 0.00 42.46 37.78 3miq s ILE 171 CO 0.22 0.09 1.76 1.05 -0.10 0.00 0.00 174.94 177.96 3miq h GLU 172 N 3.03 0.00 -0.03 2.79 4.11 -1.44 -0.96 114.58 122.08 3miq h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3miq h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3miq h GLU 172 CO 0.71 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.39 3miq n ASP 173 N -2.38 0.23 0.00 3.06 5.68 -1.26 -4.87 116.55 117.02 3miq n ASP 173 Ca 0.02 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3miq n ASP 173 Cb 0.24 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3miq n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3miq n GLY 174 N 0.81 1.76 3.87 6.12 0.00 -0.36 -5.07 105.19 112.32 3miq n GLY 174 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3miq n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3miq s SER 175 N -1.51 3.72 0.05 1.61 1.04 -1.24 -4.83 113.70 112.53 3miq s SER 175 Ca 0.00 0.66 0.06 0.00 0.48 0.00 0.00 55.95 57.14 3miq s SER 175 Cb 0.00 -1.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 3miq s SER 175 CO 0.00 -2.39 -0.16 0.68 0.98 0.00 0.00 173.24 172.35 3miq s VAL 176 N -3.59 1.29 -0.13 5.02 -7.23 -1.26 -0.81 120.40 113.69 3miq s VAL 176 Ca 0.66 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 3miq s VAL 176 Cb -0.10 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.68 3miq s VAL 176 CO 0.51 0.03 -0.18 -1.58 -0.31 0.00 0.00 175.10 173.58 3miq s GLN 177 N -1.25 3.20 0.16 4.82 0.74 0.23 -4.93 119.66 122.63 3miq s GLN 177 Ca 0.03 -0.78 -0.24 0.00 0.05 0.00 0.00 55.36 54.42 3miq s GLN 177 Cb -0.08 -2.52 -0.08 0.00 1.10 0.00 0.00 33.01 31.42 3miq s GLN 177 CO 0.02 0.11 0.75 -0.51 -0.55 0.00 0.00 175.29 175.11 3miq s LEU 178 N 0.57 4.57 -0.26 3.68 1.02 -1.26 -0.74 118.68 126.26 3miq s LEU 178 Ca -0.11 1.59 0.02 0.00 0.02 0.00 0.00 54.13 55.66 3miq s LEU 178 Cb -0.16 -3.27 0.06 0.00 0.02 0.00 0.00 46.19 42.84 3miq s LEU 178 CO 0.04 0.20 -0.07 0.00 0.02 0.00 0.00 176.35 176.54 3miq s ALA 179 N -1.17 2.32 -0.15 4.21 0.00 -0.29 -1.35 121.76 125.32 3miq s ALA 179 Ca 0.36 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 3miq s ALA 179 Cb -0.22 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 3miq s ALA 179 CO 0.25 -1.24 1.13 0.34 0.00 0.00 0.00 175.76 176.24 3miq s ASP 180 N 1.22 7.07 -0.20 0.00 -1.08 0.10 -1.69 116.67 122.10 3miq s ASP 180 Ca -0.06 1.58 -0.06 0.00 -0.52 0.00 0.00 52.55 53.49 3miq s ASP 180 Cb -0.19 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.69 3miq s ASP 180 CO -0.06 -0.64 0.03 -1.00 0.52 0.00 0.00 175.17 174.02 3miq s HIS 181 N 2.87 3.11 -0.21 -5.34 3.76 -0.07 -0.29 115.29 119.11 3miq s HIS 181 Ca 0.50 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 3miq s HIS 181 Cb -0.19 -2.09 0.03 0.00 1.11 0.00 0.00 32.58 31.43 3miq s HIS 181 CO 0.14 -0.11 -0.16 0.71 -0.85 0.00 0.00 174.74 174.48 3miq s TYR 182 N 0.82 2.94 0.10 1.40 2.02 -0.67 -2.87 117.35 121.10 3miq s TYR 182 Ca 0.02 -1.77 0.05 0.00 -0.37 0.00 0.00 57.07 55.00 3miq s TYR 182 Cb -0.14 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 3miq s TYR 182 CO 0.02 -0.81 -0.14 -1.14 -1.57 0.00 0.00 175.55 171.92 3miq s GLN 183 N 1.26 0.94 -0.20 -0.62 0.74 0.17 -1.11 119.66 120.84 3miq s GLN 183 Ca 0.01 -1.14 -0.08 0.00 0.05 0.00 0.00 55.36 54.20 3miq s GLN 183 Cb -0.15 -0.84 0.08 0.00 1.10 0.00 0.00 33.01 33.20 3miq s GLN 183 CO -0.10 0.17 0.44 -1.14 -0.55 0.00 0.00 175.29 174.11 3miq s GLN 184 N -2.37 0.37 -0.10 1.67 0.74 -0.34 -0.85 119.66 118.78 3miq s GLN 184 Ca 0.05 0.99 0.03 0.00 0.05 0.00 0.00 55.36 56.47 3miq s GLN 184 Cb -0.06 0.23 0.01 0.00 1.10 0.00 0.00 33.01 34.29 3miq s GLN 184 CO 0.02 -0.21 -0.20 -0.80 -0.55 0.00 0.00 175.29 173.55 3miq s ASN 185 N 2.19 2.77 0.01 6.67 -0.87 -0.73 -1.29 114.94 123.69 3miq s ASN 185 Ca -0.05 -0.50 0.05 0.00 -1.57 0.00 0.00 52.86 50.79 3miq s ASN 185 Cb -0.11 -1.27 -0.02 0.00 -0.02 0.00 0.00 41.25 39.84 3miq s ASN 185 CO -0.13 0.10 -0.16 0.42 -2.57 0.00 0.00 177.10 174.76 3miq s THR 186 N 0.60 1.25 0.65 1.60 -4.23 -0.65 -2.27 115.64 112.59 3miq s THR 186 Ca -0.14 -0.84 -0.17 0.00 -1.18 0.00 0.00 61.69 59.37 3miq s THR 186 Cb -0.17 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 3miq s THR 186 CO 0.04 0.22 1.20 -2.84 -0.54 0.00 0.00 174.62 172.71 3miq s PRO 187 N -0.71 2.65 -0.13 3.99 0.02 -1.26 0.06 135.00 139.62 3miq s PRO 187 Ca 0.05 1.78 0.03 0.00 0.02 0.00 0.00 61.00 62.88 3miq s PRO 187 Cb -0.07 -1.89 -0.24 0.00 0.02 0.00 0.00 34.50 32.32 3miq s PRO 187 CO 0.00 -1.44 0.30 -0.89 -0.33 0.00 0.00 177.00 174.64 3miq n ILE 188 N -2.06 1.64 -1.80 2.83 5.41 0.03 -4.70 119.36 120.70 3miq n ILE 188 Ca 0.13 -0.70 -0.29 0.00 1.00 0.00 0.00 62.75 62.89 3miq n ILE 188 Cb 0.50 -1.33 0.14 0.00 -0.71 0.00 0.00 39.64 38.24 3miq n ILE 188 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3miq s GLY 189 N -5.62 1.66 0.16 7.39 0.00 -1.26 -4.99 107.32 104.67 3miq s GLY 189 Ca -0.18 -0.87 0.22 0.00 0.00 0.00 0.00 44.72 43.89 3miq s GLY 189 CO 0.76 -0.23 0.96 1.22 0.00 0.00 0.00 173.10 175.81 3miq n ASP 190 N -3.66 0.77 -4.16 1.64 10.43 -1.26 -4.99 116.55 115.32 3miq n ASP 190 Ca 0.11 0.30 -0.35 0.00 2.57 0.00 0.00 54.79 57.42 3miq n ASP 190 Cb 0.60 0.55 0.11 0.00 1.84 0.00 0.00 41.12 44.22 3miq n ASP 190 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3miq n GLY 191 N 1.22 -2.74 3.78 0.44 0.00 -1.26 -4.93 105.19 101.69 3miq n GLY 191 Ca -0.02 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3miq n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3miq s PRO 192 N -2.85 4.58 0.13 1.61 0.05 -1.26 -5.06 135.00 132.20 3miq s PRO 192 Ca 0.48 1.17 0.08 0.00 0.05 0.00 0.00 61.00 62.78 3miq s PRO 192 Cb -0.03 -3.25 -0.04 0.00 0.05 0.00 0.00 34.50 31.23 3miq s PRO 192 CO 0.67 0.56 -0.18 0.14 0.05 0.00 0.00 177.00 178.24 3miq s VAL 193 N -1.16 1.64 -0.06 -0.36 -7.23 -1.26 -4.83 120.40 107.14 3miq s VAL 193 Ca 0.36 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 3miq s VAL 193 Cb -0.23 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3miq s VAL 193 CO 0.26 -0.26 1.40 -0.76 -0.31 0.00 0.00 175.10 175.43 3miq s LEU 194 N -2.36 4.28 -0.26 1.32 1.43 -1.26 -5.02 118.68 116.80 3miq s LEU 194 Ca 0.11 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3miq s LEU 194 Cb -0.07 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 3miq s LEU 194 CO 0.05 -0.76 0.21 -0.76 0.23 0.00 0.00 176.35 175.32 3miq s LEU 195 N 2.99 4.05 0.38 1.79 1.43 -1.26 -4.22 118.68 123.85 3miq s LEU 195 Ca 0.63 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3miq s LEU 195 Cb -0.29 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3miq s LEU 195 CO 0.24 -0.03 0.63 -2.16 0.23 0.00 0.00 176.35 175.26 3miq s PRO 196 N 1.57 3.54 0.70 1.29 0.04 -1.26 -4.96 135.00 135.91 3miq s PRO 196 Ca 0.08 -0.08 -0.11 0.00 0.04 0.00 0.00 61.00 60.94 3miq s PRO 196 Cb -0.15 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.84 3miq s PRO 196 CO 0.09 0.04 1.06 -0.51 0.04 0.00 0.00 177.00 177.72 3miq s ASP 197 N -3.89 5.35 0.02 6.66 -0.00 -1.26 -3.76 116.67 119.78 3miq s ASP 197 Ca 0.43 1.64 -0.36 0.00 -0.00 0.00 0.00 52.55 54.26 3miq s ASP 197 Cb -0.10 -2.50 -0.15 0.00 -0.00 0.00 0.00 42.92 40.17 3miq s ASP 197 CO 0.38 -1.47 1.52 0.59 -0.00 0.00 0.00 175.17 176.19 3miq n ASN 198 N -3.11 2.28 -0.76 0.27 4.13 -1.26 -4.74 115.26 112.07 3miq n ASN 198 Ca 0.08 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.43 3miq n ASN 198 Cb 0.53 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 3miq n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3miq n HIS 199 N 3.62 -0.49 -3.81 3.10 1.44 -0.96 -4.69 115.22 113.42 3miq n HIS 199 Ca 0.20 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.81 3miq n HIS 199 Cb 0.21 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.27 3miq n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3miq s TYR 200 N -5.53 0.05 -0.11 -1.40 -0.85 -0.94 -1.15 117.35 107.42 3miq s TYR 200 Ca 0.00 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 3miq s TYR 200 Cb 0.00 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.56 3miq s TYR 200 CO 0.00 -0.86 -0.06 -0.51 -1.52 0.00 0.00 175.55 172.60 3miq s LEU 201 N -2.90 3.19 -0.32 -3.49 1.43 0.72 -0.35 118.68 116.95 3miq s LEU 201 Ca 0.12 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 3miq s LEU 201 Cb 0.00 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3miq s LEU 201 CO -0.02 0.27 0.38 -0.44 0.23 0.00 0.00 176.35 176.77 3miq s SER 202 N -0.24 6.22 0.05 2.29 0.01 0.16 -0.33 113.70 121.86 3miq s SER 202 Ca 0.04 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.28 3miq s SER 202 Cb -0.13 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 3miq s SER 202 CO 0.02 -0.31 0.01 0.42 0.41 0.00 0.00 173.24 173.79 3miq s THR 203 N 2.08 4.12 -0.05 1.44 -4.23 -0.61 -1.78 115.64 116.61 3miq s THR 203 Ca 0.14 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 3miq s THR 203 Cb -0.16 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.78 3miq s THR 203 CO 0.11 0.22 0.13 -1.10 -0.54 0.00 0.00 174.62 173.44 3miq s GLN 204 N -2.03 0.14 -0.06 3.99 -0.21 -0.61 -2.40 119.66 118.48 3miq s GLN 204 Ca 0.24 0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.79 3miq s GLN 204 Cb -0.12 0.03 0.03 0.00 1.00 0.00 0.00 33.01 33.95 3miq s GLN 204 CO 0.16 -0.04 0.14 -1.12 -2.12 0.00 0.00 175.29 172.31 3miq s SER 205 N 0.25 -0.13 -0.19 5.90 0.01 -1.26 -1.10 113.70 117.19 3miq s SER 205 Ca -0.01 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3miq s SER 205 Cb -0.03 0.23 0.02 0.00 0.21 0.00 0.00 66.02 66.45 3miq s SER 205 CO -0.01 -0.10 -0.17 0.00 0.41 0.00 0.00 173.24 173.37 3miq s ALA 206 N 0.63 2.41 0.06 1.44 0.00 0.21 -4.36 121.76 122.15 3miq s ALA 206 Ca -0.05 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 3miq s ALA 206 Cb -0.06 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 3miq s ALA 206 CO -0.03 -0.36 0.37 -0.51 0.00 0.00 0.00 175.76 175.23 3miq s LEU 207 N 1.32 4.35 0.30 0.00 1.43 -1.26 -1.58 118.68 123.25 3miq s LEU 207 Ca 0.05 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 3miq s LEU 207 Cb -0.13 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.20 3miq s LEU 207 CO -0.11 0.19 0.58 -0.94 0.23 0.00 0.00 176.35 176.30 3miq s SER 208 N -1.75 0.14 -0.01 2.29 1.04 -0.41 -4.92 113.70 110.09 3miq s SER 208 Ca 0.32 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.75 3miq s SER 208 Cb -0.14 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3miq s SER 208 CO 0.18 -1.32 -0.22 -0.54 0.98 0.00 0.00 173.24 172.32 3miq s LYS 209 N -3.42 2.16 -0.12 4.02 -0.14 -1.26 -1.90 119.74 119.08 3miq s LYS 209 Ca 0.21 -0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 53.62 3miq s LYS 209 Cb -0.02 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 3miq s LYS 209 CO 0.12 0.57 1.27 0.34 -0.76 0.00 0.00 175.35 176.88 3miq s ASP 210 N -0.89 6.96 0.44 2.83 -1.08 -1.26 -4.91 116.67 118.76 3miq s ASP 210 Ca 0.11 1.77 0.12 0.00 -0.52 0.00 0.00 52.55 54.04 3miq s ASP 210 Cb -0.10 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.79 3miq s ASP 210 CO 0.01 -0.71 2.01 -0.65 0.52 0.00 0.00 175.17 176.34 3miq h PRO 211 N 8.01 0.13 -0.84 4.34 0.11 -2.04 -2.54 132.00 139.17 3miq h PRO 211 Ca -0.30 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.50 3miq h PRO 211 Cb 1.13 -0.02 -0.18 0.00 0.11 0.00 0.00 31.00 32.04 3miq h PRO 211 CO 0.94 0.22 0.37 0.09 -0.21 0.00 0.00 178.00 179.42 3miq n ASN 212 N -4.37 4.49 -4.28 -2.05 4.13 -1.26 -4.88 115.26 107.04 3miq n ASN 212 Ca -0.01 -3.28 -0.35 0.00 1.68 0.00 0.00 54.58 52.62 3miq n ASN 212 Cb 0.20 -0.77 -0.14 0.00 -1.54 0.00 0.00 39.78 37.53 3miq n ASN 212 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3miq s GLU 213 N -2.98 3.31 0.10 3.52 2.56 -0.96 -4.97 118.70 119.28 3miq s GLU 213 Ca 0.54 -0.66 0.11 0.00 0.00 0.00 0.00 54.97 54.96 3miq s GLU 213 Cb 0.44 -2.92 -0.15 0.00 2.00 0.00 0.00 34.13 33.49 3miq s GLU 213 CO 0.13 -0.19 1.10 0.87 -0.56 0.00 0.00 175.26 176.60 3miq h LYS 214 N 8.05 0.00 -6.99 4.30 1.57 -1.90 -3.47 116.57 118.13 3miq h LYS 214 Ca -0.42 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.87 3miq h LYS 214 Cb 1.16 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.50 3miq h LYS 214 CO 0.61 0.68 0.43 1.03 -0.57 0.00 0.00 179.45 181.63 3miq s ARG 215 N -2.76 3.97 -0.03 3.15 0.52 -1.26 -4.96 118.95 117.59 3miq s ARG 215 Ca -0.00 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 3miq s ARG 215 Cb 0.09 -2.43 -0.08 0.00 0.52 0.00 0.00 34.95 33.05 3miq s ARG 215 CO 0.81 -0.32 1.96 0.34 0.02 0.00 0.00 175.30 178.10 3miq s ASP 216 N -1.56 6.31 0.24 0.23 -1.08 -1.26 -4.90 116.67 114.64 3miq s ASP 216 Ca 0.61 2.44 -0.16 0.00 -0.52 0.00 0.00 52.55 54.92 3miq s ASP 216 Cb -0.23 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.71 3miq s ASP 216 CO 0.29 -1.20 0.54 -1.38 0.52 0.00 0.00 175.17 173.94 3miq s HIS 217 N 5.09 0.09 -0.07 -5.34 -3.43 -1.26 -1.07 115.29 109.29 3miq s HIS 217 Ca 0.88 -0.47 -0.03 0.00 -0.80 0.00 0.00 55.06 54.64 3miq s HIS 217 Cb -0.39 0.37 0.04 0.00 -1.43 0.00 0.00 32.58 31.17 3miq s HIS 217 CO 0.39 -1.02 0.14 1.41 -2.00 0.00 0.00 174.74 173.65 3miq s MET 218 N -3.95 0.02 -0.17 -0.38 1.75 -0.37 -4.97 119.30 111.23 3miq s MET 218 Ca 0.16 0.47 -0.12 0.00 -1.25 0.00 0.00 55.69 54.95 3miq s MET 218 Cb -0.02 -0.29 -0.05 0.00 2.84 0.00 0.00 34.83 37.32 3miq s MET 218 CO 0.05 -0.27 0.22 0.08 -0.65 0.00 0.00 175.02 174.45 3miq s VAL 219 N 1.97 5.35 -0.07 10.11 1.01 -0.80 -0.29 120.40 137.68 3miq s VAL 219 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.40 3miq s VAL 219 Cb -0.12 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3miq s VAL 219 CO -0.05 0.42 -0.12 -0.22 0.00 0.00 0.00 175.10 175.12 3miq s LEU 220 N 0.35 1.62 -0.10 3.92 2.96 -0.09 -1.28 118.68 126.05 3miq s LEU 220 Ca 0.13 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3miq s LEU 220 Cb -0.12 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.71 3miq s LEU 220 CO 0.02 0.02 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.64 3miq s LEU 221 N 0.76 1.99 -0.10 -0.68 2.96 -0.61 -1.49 118.68 121.52 3miq s LEU 221 Ca -0.13 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 3miq s LEU 221 Cb -0.16 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.27 3miq s LEU 221 CO 0.03 0.11 0.24 -0.70 -1.32 0.00 0.00 176.35 174.71 3miq s GLU 222 N 0.54 0.22 -0.09 1.98 2.12 -0.94 0.64 118.70 123.18 3miq s GLU 222 Ca -0.15 0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.70 3miq s GLU 222 Cb -0.17 -0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.17 3miq s GLU 222 CO 0.05 -0.13 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.35 3miq s PHE 223 N 0.93 2.46 -0.03 5.30 0.40 -0.26 -0.77 117.98 126.01 3miq s PHE 223 Ca -0.07 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.35 3miq s PHE 223 Cb -0.08 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.83 3miq s PHE 223 CO -0.06 -0.35 -0.03 0.08 0.70 0.00 0.00 175.22 175.56 3miq s VAL 224 N 0.21 0.38 -0.02 -0.44 1.01 -0.05 -1.57 120.40 119.93 3miq s VAL 224 Ca -0.14 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3miq s VAL 224 Cb -0.17 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3miq s VAL 224 CO 0.07 0.18 -0.08 -0.89 0.00 0.00 0.00 175.10 174.38 3miq s THR 225 N 0.76 0.67 0.27 3.92 2.01 -0.74 -0.87 115.64 121.67 3miq s THR 225 Ca -0.09 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 3miq s THR 225 Cb -0.12 -0.59 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 3miq s THR 225 CO -0.00 0.20 1.00 0.00 -0.69 0.00 0.00 174.62 175.13 3miq s ALA 226 N 0.02 3.34 0.13 7.40 0.00 -0.27 -0.66 121.76 131.71 3miq s ALA 226 Ca -0.00 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3miq s ALA 226 Cb -0.06 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3miq s ALA 226 CO -0.00 0.05 0.11 0.00 0.00 0.00 0.00 175.76 175.92 3miq n ALA 227 N 1.21 0.28 0.00 0.00 0.00 0.52 -4.60 120.51 117.92 3miq n ALA 227 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3miq n ALA 227 Cb 0.47 0.62 0.00 0.00 0.00 0.00 0.00 19.45 20.54 3miq n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3miq n GLY 228 N -0.20 1.78 0.00 0.00 0.00 -1.26 -2.22 105.19 103.29 3miq n GLY 228 Ca 0.03 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.63 3miq n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71