#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mni h HIS 4 N 0.00 0.77 -4.26 -1.40 -0.00 -2.04 -3.44 115.15 104.78 3mni h HIS 4 Ca 0.00 -0.25 -0.51 0.00 -0.00 0.00 0.00 60.37 59.62 3mni h HIS 4 Cb 0.00 -0.15 0.10 0.00 -0.00 0.00 0.00 27.41 27.36 3mni h HIS 4 CO 0.00 0.98 0.36 1.67 -0.00 0.00 0.00 177.93 180.94 3mni s TRP 5 N -4.16 2.75 0.00 5.26 1.48 -1.26 -4.88 118.94 118.14 3mni s TRP 5 Ca -0.08 1.52 0.00 0.00 -1.06 0.00 0.00 56.10 56.48 3mni s TRP 5 Cb 0.12 -3.06 0.00 0.00 -1.16 0.00 0.00 33.47 29.37 3mni s TRP 5 CO 0.84 -1.55 0.00 0.41 -4.06 0.00 0.00 176.95 172.60 3mni n GLY 6 N -1.05 2.13 0.05 3.67 0.00 -0.53 -5.03 105.19 104.43 3mni n GLY 6 Ca 0.09 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.81 3mni n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mni n TYR 7 N 0.00 0.00 -1.90 1.61 4.02 -1.26 -3.82 117.16 115.81 3mni n TYR 7 Ca 0.00 -0.57 -0.18 0.00 -0.01 0.00 0.00 57.90 57.14 3mni n TYR 7 Cb 0.00 -0.08 0.11 0.00 -0.02 0.00 0.00 39.34 39.36 3mni n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mni n GLY 8 N -0.71 -0.68 0.34 2.72 0.00 -1.26 -4.72 105.19 100.88 3mni n GLY 8 Ca 0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 3mni n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mni h LYS 9 N 0.00 1.01 -0.00 1.61 3.64 -1.98 -1.13 116.57 119.72 3mni h LYS 9 Ca -0.26 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3mni h LYS 9 Cb 0.78 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3mni h LYS 9 CO 0.21 0.72 -0.89 0.72 -2.27 0.00 0.00 179.45 177.95 3mni n HIS 10 N -4.37 0.00 -1.33 1.91 8.25 -1.26 -4.47 115.22 113.94 3mni n HIS 10 Ca 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 3mni n HIS 10 Cb 0.08 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.20 3mni n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3mni n ASN 11 N -1.32 0.28 -2.79 0.41 6.94 -1.21 -4.96 115.26 112.61 3mni n ASN 11 Ca 0.04 -1.60 -0.10 0.00 -0.02 0.00 0.00 54.58 52.90 3mni n ASN 11 Cb 0.32 -0.11 0.07 0.00 -2.36 0.00 0.00 39.78 37.70 3mni n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mni n GLY 12 N -0.12 -0.60 0.37 4.83 0.00 -0.43 -1.45 105.19 107.78 3mni n GLY 12 Ca 0.01 -1.78 0.19 0.00 0.00 0.00 0.00 46.02 44.43 3mni n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mni h PRO 13 N 0.00 0.00 0.00 1.61 0.11 -1.84 0.31 132.00 132.18 3mni h PRO 13 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3mni h PRO 13 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3mni h PRO 13 CO 0.12 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.06 3mni n GLU 14 N -4.17 0.18 0.01 1.05 0.00 -1.26 -2.76 120.64 113.70 3mni n GLU 14 Ca 0.07 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.41 3mni n GLU 14 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.36 3mni n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3mni n HIS 15 N -1.39 0.17 0.11 -1.84 8.25 0.11 -4.63 115.22 115.99 3mni n HIS 15 Ca 0.09 0.05 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 3mni n HIS 15 Cb 0.24 -0.46 0.61 0.00 1.12 0.00 0.00 29.99 31.50 3mni n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3mni h TRP 16 N 0.00 0.11 0.00 4.41 6.55 -1.44 -2.47 115.95 123.11 3mni h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 3mni h TRP 16 Cb 0.87 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 29.13 3mni h TRP 16 CO 0.00 0.06 -0.02 1.12 -1.05 0.00 0.00 178.44 178.55 3mni h HIS 17 N 0.11 0.00 -0.40 0.49 2.07 -1.80 0.37 115.15 116.00 3mni h HIS 17 Ca 0.13 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.59 3mni h HIS 17 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 3mni h HIS 17 CO -0.00 0.02 0.02 0.87 -3.07 0.00 0.00 177.93 175.78 3mni h LYS 18 N 0.00 0.69 0.00 5.12 1.57 -1.79 -2.94 116.57 119.21 3mni h LYS 18 Ca -0.00 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3mni h LYS 18 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3mni h LYS 18 CO 0.00 0.77 -0.83 -0.44 -0.57 0.00 0.00 179.45 178.38 3mni h ASP 19 N 0.52 0.00 -2.58 0.86 3.32 -1.67 -3.42 116.42 113.44 3mni h ASP 19 Ca 0.12 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.57 3mni h ASP 19 Cb 0.44 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.60 3mni h ASP 19 CO 0.02 0.42 -0.85 0.49 -1.72 0.00 0.00 179.24 177.59 3mni n PHE 20 N -3.03 0.44 0.32 4.55 3.72 0.09 -4.99 117.46 118.56 3mni n PHE 20 Ca -0.02 -3.63 0.20 0.00 -0.05 0.00 0.00 57.45 53.95 3mni n PHE 20 Cb 0.73 -0.03 1.09 0.00 -0.94 0.00 0.00 39.48 40.33 3mni n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3mni h PRO 21 N 5.51 0.00 0.00 -1.08 0.13 -1.77 0.02 132.00 134.81 3mni h PRO 21 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3mni h PRO 21 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3mni h PRO 21 CO 0.49 0.01 0.14 0.97 -0.23 0.00 0.00 178.00 179.37 3mni h ILE 22 N 0.00 0.00 -0.62 -3.56 2.10 -1.91 -2.46 117.51 111.06 3mni h ILE 22 Ca -0.00 0.00 0.18 0.00 1.08 0.00 0.00 64.86 66.12 3mni h ILE 22 Cb 0.06 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 36.19 3mni h ILE 22 CO 0.00 0.00 0.50 0.00 -1.08 0.00 0.00 178.15 177.57 3mni h ALA 23 N 1.64 2.50 -0.61 0.18 0.00 -1.30 0.51 119.26 122.18 3mni h ALA 23 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3mni h ALA 23 Cb 0.27 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3mni h ALA 23 CO 0.00 -0.82 0.19 1.63 0.00 0.00 0.00 179.25 180.25 3mni n LYS 24 N -4.12 3.26 -0.66 0.00 5.02 -0.92 -4.98 118.16 115.75 3mni n LYS 24 Ca 0.12 -3.06 -0.16 0.00 -2.02 0.00 0.00 58.31 53.19 3mni n LYS 24 Cb 0.74 -2.09 0.13 0.00 -0.02 0.00 0.00 35.03 33.78 3mni n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mni n GLY 25 N -0.40 -2.29 0.00 0.72 0.00 0.18 -4.98 105.19 98.41 3mni n GLY 25 Ca 0.37 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.99 3mni n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mni n GLU 26 N -3.06 0.01 -2.67 1.61 -0.58 -1.26 -4.36 120.64 110.33 3mni n GLU 26 Ca 0.08 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.73 3mni n GLU 26 Cb 0.31 -1.51 0.03 0.00 -0.57 0.00 0.00 31.44 29.70 3mni n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3mni n ARG 27 N -1.53 1.14 -2.96 3.49 1.85 -1.26 -4.63 116.66 112.76 3mni n ARG 27 Ca 0.06 -3.23 -0.31 0.00 -1.00 0.00 0.00 57.85 53.36 3mni n ARG 27 Cb 0.34 -1.23 -0.05 0.00 -1.05 0.00 0.00 32.46 30.47 3mni n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3mni s GLN 28 N -3.05 3.89 0.19 2.89 -1.52 -1.26 -2.66 119.66 118.14 3mni s GLN 28 Ca 0.27 0.58 0.08 0.00 -1.95 0.00 0.00 55.36 54.35 3mni s GLN 28 Cb 0.46 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.81 3mni s GLN 28 CO 0.04 0.04 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.83 3mni s SER 29 N -2.76 2.66 0.88 5.90 0.01 -1.26 -4.69 113.70 114.44 3mni s SER 29 Ca 0.53 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 3mni s SER 29 Cb -0.10 -0.15 0.19 0.00 0.21 0.00 0.00 66.02 66.16 3mni s SER 29 CO 0.25 -0.10 1.20 -2.16 0.41 0.00 0.00 173.24 172.84 3mni s PRO 30 N -3.26 0.90 0.14 12.44 0.04 -1.26 -4.64 135.00 139.35 3mni s PRO 30 Ca 0.20 -0.90 -0.00 0.00 0.04 0.00 0.00 61.00 60.34 3mni s PRO 30 Cb -0.03 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3mni s PRO 30 CO 0.07 -2.11 0.05 0.14 0.04 0.00 0.00 177.00 175.19 3mni s VAL 31 N -3.59 0.21 0.02 -0.36 -7.23 -1.26 -0.58 120.40 107.61 3mni s VAL 31 Ca 0.73 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.71 3mni s VAL 31 Cb -0.03 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 3mni s VAL 31 CO 0.50 -0.46 0.82 -0.62 -0.31 0.00 0.00 175.10 175.02 3mni s ASP 32 N -3.07 7.23 -0.42 4.85 2.15 -1.26 -3.06 116.67 123.09 3mni s ASP 32 Ca 0.24 1.48 -0.18 0.00 0.43 0.00 0.00 52.55 54.52 3mni s ASP 32 Cb 0.07 -2.49 0.02 0.00 -0.30 0.00 0.00 42.92 40.22 3mni s ASP 32 CO 0.02 -0.07 0.45 -0.63 -0.17 0.00 0.00 175.17 174.77 3mni s ILE 33 N 0.32 5.07 -0.46 4.11 1.01 0.14 -4.95 121.20 126.43 3mni s ILE 33 Ca 0.42 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.58 3mni s ILE 33 Cb -0.20 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.25 3mni s ILE 33 CO 0.24 -0.42 0.73 -0.62 0.00 0.00 0.00 174.94 174.87 3mni s ASP 34 N 1.82 6.35 0.48 3.58 -1.08 -1.26 -0.11 116.67 126.46 3mni s ASP 34 Ca 0.13 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 3mni s ASP 34 Cb -0.17 -2.36 1.17 0.00 -1.46 0.00 0.00 42.92 40.11 3mni s ASP 34 CO 0.14 -0.90 1.93 0.71 0.52 0.00 0.00 175.17 177.58 3mni h THR 35 N 5.93 0.49 0.00 1.71 1.35 -1.95 -2.30 112.91 118.15 3mni h THR 35 Ca -0.25 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 3mni h THR 35 Cb 1.09 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3mni h THR 35 CO 0.95 0.16 -0.43 1.41 -0.25 0.00 0.00 175.52 177.36 3mni n HIS 36 N -3.43 0.57 0.32 4.73 8.25 -1.26 -3.85 115.22 120.56 3mni n HIS 36 Ca -0.01 0.17 0.09 0.00 -0.26 0.00 0.00 57.72 57.71 3mni n HIS 36 Cb 0.35 -0.68 -0.12 0.00 1.12 0.00 0.00 29.99 30.65 3mni n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3mni n THR 37 N -2.06 0.00 -1.89 1.59 -1.04 -0.96 -4.97 114.28 104.95 3mni n THR 37 Ca 0.04 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.05 61.36 3mni n THR 37 Cb 0.42 0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 69.37 3mni n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mni s ALA 38 N -3.00 3.69 -0.25 2.41 0.00 -0.90 -4.86 121.76 118.85 3mni s ALA 38 Ca -0.01 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 3mni s ALA 38 Cb 0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3mni s ALA 38 CO 0.73 -0.87 0.35 0.21 0.00 0.00 0.00 175.76 176.18 3mni s LYS 39 N -0.48 4.06 0.16 0.00 2.47 -0.47 -4.81 119.74 120.67 3mni s LYS 39 Ca 0.61 0.03 -0.31 0.00 -1.56 0.00 0.00 55.97 54.74 3mni s LYS 39 Cb -0.45 -3.61 -0.10 0.00 -1.46 0.00 0.00 37.83 32.21 3mni s LYS 39 CO 0.46 -0.16 1.65 -0.47 0.16 0.00 0.00 175.35 176.99 3mni s TYR 40 N 1.72 2.82 -0.30 4.03 5.04 -1.26 -0.28 117.35 129.12 3mni s TYR 40 Ca 0.15 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.24 3mni s TYR 40 Cb -0.15 -4.02 0.09 0.00 0.35 0.00 0.00 41.96 38.23 3mni s TYR 40 CO 0.09 -3.88 0.01 0.34 -1.34 0.00 0.00 175.55 170.77 3mni s ASP 41 N 1.53 4.45 0.02 4.32 -1.08 -0.73 -4.87 116.67 120.30 3mni s ASP 41 Ca 0.73 -1.77 0.17 0.00 -0.52 0.00 0.00 52.55 51.16 3mni s ASP 41 Cb -0.45 -1.43 0.74 0.00 -1.46 0.00 0.00 42.92 40.32 3mni s ASP 41 CO 0.32 -0.33 1.55 -0.81 0.52 0.00 0.00 175.17 176.43 3mni n PRO 42 N 4.44 0.01 0.00 4.34 -0.05 -1.26 -1.81 135.00 140.67 3mni n PRO 42 Ca -0.03 0.22 0.15 0.00 -0.05 0.00 0.00 63.50 63.79 3mni n PRO 42 Cb 0.42 -1.52 0.71 0.00 -0.05 0.00 0.00 33.50 33.06 3mni n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3mni n SER 43 N -1.55 0.32 -4.72 3.54 3.41 -1.26 -4.83 113.62 108.54 3mni n SER 43 Ca 0.04 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.63 3mni n SER 43 Cb 0.20 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3mni n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mni s LEU 44 N -2.38 4.37 0.76 1.04 1.43 -0.75 -5.04 118.68 118.11 3mni s LEU 44 Ca 0.33 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 3mni s LEU 44 Cb 0.21 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 43.04 3mni s LEU 44 CO 0.44 -0.19 1.10 -0.54 0.23 0.00 0.00 176.35 177.39 3mni s LYS 45 N 0.81 2.38 0.64 1.70 1.02 -1.25 -4.99 119.74 120.05 3mni s LYS 45 Ca 0.47 0.52 -0.18 0.00 0.02 0.00 0.00 55.97 56.81 3mni s LYS 45 Cb -0.20 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 3mni s LYS 45 CO 0.25 -1.39 1.24 -2.14 -0.92 0.00 0.00 175.35 172.40 3mni s PRO 46 N -5.27 2.67 0.57 -1.68 0.02 -1.26 -3.14 135.00 126.90 3mni s PRO 46 Ca 0.60 1.89 -0.19 0.00 0.02 0.00 0.00 61.00 63.32 3mni s PRO 46 Cb -0.13 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 3mni s PRO 46 CO 0.53 -1.46 1.16 -0.51 -0.33 0.00 0.00 177.00 176.39 3mni s LEU 47 N -4.39 3.70 -0.27 -5.54 1.43 -1.26 -1.28 118.68 111.08 3mni s LEU 47 Ca 0.79 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 56.17 3mni s LEU 47 Cb -0.32 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 41.37 3mni s LEU 47 CO 0.38 -1.38 -0.10 -0.55 0.23 0.00 0.00 176.35 174.93 3mni s SER 48 N -1.73 4.47 -0.27 2.29 0.15 0.18 -4.83 113.70 113.96 3mni s SER 48 Ca 0.74 -1.44 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 3mni s SER 48 Cb -0.26 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 3mni s SER 48 CO 0.30 -0.20 0.07 -0.69 1.20 0.00 0.00 173.24 173.92 3mni s VAL 49 N 1.09 4.09 -0.46 4.45 1.01 -1.26 -1.18 120.40 128.14 3mni s VAL 49 Ca -0.08 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3mni s VAL 49 Cb -0.20 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.29 3mni s VAL 49 CO -0.05 0.20 0.21 -0.44 0.00 0.00 0.00 175.10 175.02 3mni s SER 50 N 1.55 4.76 0.00 3.32 0.01 -0.27 -4.90 113.70 118.16 3mni s SER 50 Ca 0.04 -2.55 0.05 0.00 1.31 0.00 0.00 55.95 54.80 3mni s SER 50 Cb -0.16 -1.70 0.10 0.00 0.21 0.00 0.00 66.02 64.47 3mni s SER 50 CO 0.03 -0.35 0.99 -1.22 0.41 0.00 0.00 173.24 173.09 3mni n TYR 51 N 3.78 0.14 0.29 2.43 4.01 -1.26 -1.49 117.16 125.06 3mni n TYR 51 Ca 0.04 -0.37 0.13 0.00 -0.16 0.00 0.00 57.90 57.55 3mni n TYR 51 Cb 0.38 -0.03 0.85 0.00 -0.31 0.00 0.00 39.34 40.22 3mni n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3mni h ASP 52 N 0.87 0.00 -0.49 7.72 2.03 -1.91 -2.32 116.42 122.32 3mni h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mni h ASP 52 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 3mni h ASP 52 CO 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 3mni n GLN 53 N -3.96 3.26 -1.69 4.15 1.13 -1.22 -5.02 117.38 114.02 3mni n GLN 53 Ca -0.03 -2.63 -0.43 0.00 -1.94 0.00 0.00 57.00 51.97 3mni n GLN 53 Cb 0.10 -1.68 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 3mni n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mni n ALA 54 N 0.67 1.43 -3.98 -1.58 0.00 -0.87 -4.65 120.51 111.52 3mni n ALA 54 Ca 0.21 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 3mni n ALA 54 Cb 0.74 -2.30 -0.14 0.00 0.00 0.00 0.00 19.45 17.74 3mni n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mni s THR 55 N -0.39 2.45 0.45 0.00 2.01 -1.26 -4.93 115.64 113.96 3mni s THR 55 Ca 0.63 -2.45 -0.22 0.00 0.31 0.00 0.00 61.69 59.96 3mni s THR 55 Cb -0.60 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 3mni s THR 55 CO 0.54 -0.64 1.08 -0.94 -0.69 0.00 0.00 174.62 173.97 3mni s SER 56 N 0.84 6.41 -0.09 3.53 1.04 -1.26 -1.21 113.70 122.96 3mni s SER 56 Ca 0.12 2.07 -0.01 0.00 0.48 0.00 0.00 55.95 58.60 3mni s SER 56 Cb -0.20 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 3mni s SER 56 CO -0.07 -0.73 -0.10 0.18 0.98 0.00 0.00 173.24 173.50 3mni n LEU 57 N -0.54 2.08 -3.48 2.42 4.77 0.11 -4.29 117.00 118.07 3mni n LEU 57 Ca 0.07 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 3mni n LEU 57 Cb 0.50 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3mni n LEU 57 CO 0.44 0.47 0.44 -0.60 -1.33 0.00 0.00 177.39 176.81 3mni s ARG 58 N -2.18 1.12 -0.01 3.23 3.52 -1.20 -0.79 118.95 122.65 3mni s ARG 58 Ca -0.13 -0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.49 3mni s ARG 58 Cb 0.04 0.52 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 3mni s ARG 58 CO 0.19 -0.41 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.61 3mni s ILE 59 N -2.21 1.29 -0.01 4.11 2.07 -0.37 -0.67 121.20 125.41 3mni s ILE 59 Ca -0.06 -0.71 -0.11 0.00 -1.41 0.00 0.00 60.65 58.36 3mni s ILE 59 Cb -0.00 -1.07 0.01 0.00 0.13 0.00 0.00 42.46 41.53 3mni s ILE 59 CO 0.01 0.35 0.23 -1.48 -1.91 0.00 0.00 174.94 172.14 3mni s LEU 60 N -0.41 1.19 -0.29 8.50 2.34 -0.30 -0.80 118.68 128.91 3mni s LEU 60 Ca 0.06 -0.05 -0.15 0.00 0.06 0.00 0.00 54.13 54.06 3mni s LEU 60 Cb -0.06 0.98 -0.03 0.00 -0.56 0.00 0.00 46.19 46.51 3mni s LEU 60 CO -0.01 -0.40 0.35 0.21 -1.06 0.00 0.00 176.35 175.44 3mni s ASN 61 N -1.33 6.21 -0.09 1.48 3.84 0.08 -0.77 114.94 124.37 3mni s ASN 61 Ca -0.14 0.12 0.14 0.00 0.21 0.00 0.00 52.86 53.20 3mni s ASN 61 Cb -0.06 -2.20 0.47 0.00 -0.55 0.00 0.00 41.25 38.91 3mni s ASN 61 CO 0.03 -0.21 1.39 -0.46 -2.79 0.00 0.00 177.10 175.06 3mni n ASN 62 N 5.33 3.65 0.00 -4.21 0.23 -0.93 -0.30 115.26 119.03 3mni n ASN 62 Ca -0.09 -2.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.51 3mni n ASN 62 Cb 0.50 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3mni n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mni n GLY 63 N 0.28 1.21 0.00 4.83 0.00 -1.26 -4.75 105.19 105.49 3mni n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3mni n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mni n HIS 64 N -2.00 0.00 -3.37 1.61 1.44 -1.26 -4.72 115.22 106.91 3mni n HIS 64 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 3mni n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 3mni n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mni n ALA 65 N -0.64 -0.54 -2.50 1.59 0.00 -1.26 -4.88 120.51 112.28 3mni n ALA 65 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 3mni n ALA 65 Cb 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.48 3mni n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mni s PHE 66 N -6.17 2.49 -0.08 0.00 -0.12 -1.26 -2.18 117.98 110.66 3mni s PHE 66 Ca 0.05 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3mni s PHE 66 Cb -0.01 -1.58 -0.03 0.00 -0.63 0.00 0.00 43.02 40.77 3mni s PHE 66 CO 0.02 -0.02 -0.07 -0.80 -0.05 0.00 0.00 175.22 174.30 3mni s ASN 67 N -0.50 4.59 -0.23 1.98 -0.87 0.05 -4.23 114.94 115.73 3mni s ASN 67 Ca 0.06 -0.07 -0.12 0.00 -1.57 0.00 0.00 52.86 51.17 3mni s ASN 67 Cb -0.11 -1.27 -0.05 0.00 -0.02 0.00 0.00 41.25 39.80 3mni s ASN 67 CO 0.01 0.32 0.23 -0.69 -2.57 0.00 0.00 177.10 174.40 3mni s VAL 68 N -0.57 5.31 0.03 1.60 1.01 0.26 -1.15 120.40 126.89 3mni s VAL 68 Ca 0.08 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3mni s VAL 68 Cb -0.12 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3mni s VAL 68 CO 0.02 0.32 -0.04 -1.61 0.00 0.00 0.00 175.10 173.79 3mni s GLU 69 N 1.13 2.57 0.19 2.72 2.02 0.16 -1.27 118.70 126.22 3mni s GLU 69 Ca 0.11 -0.75 0.11 0.00 0.02 0.00 0.00 54.97 54.46 3mni s GLU 69 Cb -0.14 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 3mni s GLU 69 CO 0.05 0.59 -0.23 -0.06 0.02 0.00 0.00 175.26 175.63 3mni s PHE 70 N -1.10 2.23 -0.20 1.61 0.40 0.18 0.05 117.98 121.14 3mni s PHE 70 Ca 0.20 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 3mni s PHE 70 Cb -0.11 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 3mni s PHE 70 CO 0.11 0.48 1.25 0.34 0.70 0.00 0.00 175.22 178.10 3mni s ASP 71 N -2.69 6.90 -0.20 1.36 2.15 -0.35 -4.83 116.67 119.01 3mni s ASP 71 Ca 0.20 1.54 0.12 0.00 0.43 0.00 0.00 52.55 54.85 3mni s ASP 71 Cb -0.08 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.42 3mni s ASP 71 CO 0.09 -0.83 1.22 -0.90 -0.17 0.00 0.00 175.17 174.58 3mni n ASP 72 N 6.81 1.68 -0.07 -0.34 5.75 -1.26 -4.64 116.55 124.48 3mni n ASP 72 Ca 0.14 -3.78 0.14 0.00 -0.01 0.00 0.00 54.79 51.28 3mni n ASP 72 Cb 0.45 -0.51 0.52 0.00 -1.03 0.00 0.00 41.12 40.55 3mni n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3mni n SER 73 N -1.03 0.39 -4.07 -1.12 3.41 -1.26 -4.88 113.62 105.07 3mni n SER 73 Ca 0.18 -0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.42 3mni n SER 73 Cb 0.72 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 3mni n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mni s GLN 74 N -2.72 1.30 -0.97 4.33 -0.21 -1.26 -5.07 119.66 115.06 3mni s GLN 74 Ca 0.21 -1.37 -0.12 0.00 0.02 0.00 0.00 55.36 54.10 3mni s GLN 74 Cb 0.19 0.37 -0.08 0.00 1.00 0.00 0.00 33.01 34.49 3mni s GLN 74 CO 0.54 -0.48 2.13 -0.25 -2.12 0.00 0.00 175.29 175.11 3mni n ASP 75 N -0.29 4.41 -0.05 5.90 9.92 -1.26 -4.62 116.55 130.56 3mni n ASP 75 Ca -0.02 -2.49 -0.20 0.00 -0.53 0.00 0.00 54.79 51.54 3mni n ASP 75 Cb 0.64 -1.18 -0.13 0.00 -0.64 0.00 0.00 41.12 39.80 3mni n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3mni n LYS 76 N 5.18 0.72 -3.86 -1.24 5.02 -1.26 -4.73 118.16 117.99 3mni n LYS 76 Ca 0.49 0.23 -0.30 0.00 -2.02 0.00 0.00 58.31 56.72 3mni n LYS 76 Cb 0.24 -1.64 -0.16 0.00 -0.02 0.00 0.00 35.03 33.46 3mni n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mni s ALA 77 N -2.54 1.72 0.13 7.82 0.00 -1.26 -3.36 121.76 124.27 3mni s ALA 77 Ca -0.27 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.39 3mni s ALA 77 Cb 0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3mni s ALA 77 CO 0.70 -1.32 -0.11 0.14 0.00 0.00 0.00 175.76 175.18 3mni s VAL 78 N 1.51 1.17 -0.08 0.00 -7.23 -0.55 -1.23 120.40 113.99 3mni s VAL 78 Ca -0.00 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 3mni s VAL 78 Cb -0.18 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 3mni s VAL 78 CO -0.10 -0.64 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.60 3mni s LEU 79 N -2.88 2.17 0.21 1.32 2.96 0.21 -1.12 118.68 121.55 3mni s LEU 79 Ca 0.13 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3mni s LEU 79 Cb -0.00 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 3mni s LEU 79 CO 0.01 0.22 0.15 -0.54 -1.32 0.00 0.00 176.35 174.87 3mni s LYS 80 N 0.01 1.24 3.40 1.98 1.02 -0.32 -1.71 119.74 125.37 3mni s LYS 80 Ca -0.08 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.28 3mni s LYS 80 Cb -0.15 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 3mni s LYS 80 CO 0.05 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 3mni n GLY 81 N -0.29 0.03 7.00 -3.33 0.00 -1.26 -0.65 105.19 106.69 3mni n GLY 81 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3mni n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mni n GLY 82 N 0.00 2.70 0.52 -0.02 0.00 -0.40 -1.01 105.19 106.97 3mni n GLY 82 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3mni n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mni n PRO 83 N 14.00 1.66 -3.38 1.61 -0.04 -1.26 -3.79 135.00 143.80 3mni n PRO 83 Ca 0.00 -1.02 -0.33 0.00 -0.04 0.00 0.00 63.50 62.10 3mni n PRO 83 Cb 0.00 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 3mni n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mni s LEU 84 N -1.18 4.24 -0.16 1.53 1.43 -0.18 -5.07 118.68 119.29 3mni s LEU 84 Ca 0.24 1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3mni s LEU 84 Cb 0.12 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3mni s LEU 84 CO 0.17 -0.00 -0.05 -1.81 0.23 0.00 0.00 176.35 174.90 3mni s ASP 85 N -2.08 4.67 0.00 2.29 1.01 -1.26 -4.30 116.67 117.00 3mni s ASP 85 Ca 0.43 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.52 3mni s ASP 85 Cb -0.13 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.04 3mni s ASP 85 CO 0.20 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.34 3mni n GLY 86 N 3.65 0.09 3.50 0.21 0.00 -1.26 -4.95 105.19 106.43 3mni n GLY 86 Ca -0.17 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 3mni n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mni s THR 87 N -1.13 3.82 -0.14 2.61 2.01 -1.26 -4.59 115.64 116.97 3mni s THR 87 Ca 0.00 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3mni s THR 87 Cb 0.00 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 3mni s THR 87 CO 0.00 0.51 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.97 3mni s TYR 88 N 0.19 2.75 -0.04 4.92 1.51 -0.69 -1.54 117.35 124.44 3mni s TYR 88 Ca -0.02 -0.93 -0.14 0.00 -1.01 0.00 0.00 57.07 54.97 3mni s TYR 88 Cb -0.14 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 3mni s TYR 88 CO 0.03 -0.39 0.37 1.03 -1.11 0.00 0.00 175.55 175.48 3mni s ARG 89 N 0.59 3.95 0.00 -0.62 0.52 0.09 -0.62 118.95 122.87 3mni s ARG 89 Ca -0.09 0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.13 3mni s ARG 89 Cb -0.16 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 3mni s ARG 89 CO 0.03 0.60 1.42 -1.17 0.02 0.00 0.00 175.30 176.20 3mni s LEU 90 N -0.72 4.32 -0.16 2.53 2.96 -0.37 -0.90 118.68 126.34 3mni s LEU 90 Ca 0.22 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.25 3mni s LEU 90 Cb -0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 3mni s LEU 90 CO 0.11 -0.73 -0.16 0.00 -1.32 0.00 0.00 176.35 174.24 3mni n ILE 91 N 4.67 0.92 -3.62 6.68 3.06 -0.32 -4.56 119.36 126.19 3mni n ILE 91 Ca 0.13 -0.32 -0.10 0.00 -2.50 0.00 0.00 62.75 59.96 3mni n ILE 91 Cb 0.43 -1.26 -0.03 0.00 0.54 0.00 0.00 39.64 39.32 3mni n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mni s GLN 92 N -2.32 1.30 0.19 9.51 1.03 -1.21 -0.65 119.66 127.51 3mni s GLN 92 Ca -0.22 -0.71 0.05 0.00 0.04 0.00 0.00 55.36 54.52 3mni s GLN 92 Cb 0.07 0.54 -0.05 0.00 0.03 0.00 0.00 33.01 33.59 3mni s GLN 92 CO 0.35 -0.55 -0.09 -0.59 -2.54 0.00 0.00 175.29 171.86 3mni s PHE 93 N -3.82 1.53 0.33 9.60 -0.12 -0.40 -0.69 117.98 124.41 3mni s PHE 93 Ca 0.05 -0.73 -0.14 0.00 -0.05 0.00 0.00 56.93 56.06 3mni s PHE 93 Cb -0.01 -0.79 0.03 0.00 -0.63 0.00 0.00 43.02 41.63 3mni s PHE 93 CO -0.08 0.16 0.67 -3.38 -0.05 0.00 0.00 175.22 172.55 3mni s HIS 94 N -3.20 0.24 0.26 3.49 -3.43 -0.75 -0.58 115.29 111.32 3mni s HIS 94 Ca 0.22 -0.75 0.06 0.00 -0.80 0.00 0.00 55.06 53.80 3mni s HIS 94 Cb 0.02 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.67 3mni s HIS 94 CO 0.05 -1.33 -0.06 -0.06 -2.00 0.00 0.00 174.74 171.34 3mni s PHE 95 N -3.08 1.84 -0.02 0.38 0.40 -1.26 -0.86 117.98 115.38 3mni s PHE 95 Ca 0.18 -0.72 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 3mni s PHE 95 Cb -0.04 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 3mni s PHE 95 CO 0.12 0.23 -0.18 -1.01 0.70 0.00 0.00 175.22 175.08 3mni s HIS 96 N -3.08 1.60 0.28 0.36 3.76 -0.20 -4.75 115.29 113.27 3mni s HIS 96 Ca 0.28 -0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 54.78 3mni s HIS 96 Cb 0.03 -1.04 -0.00 0.00 1.11 0.00 0.00 32.58 32.68 3mni s HIS 96 CO 0.10 -0.05 0.45 1.67 -0.85 0.00 0.00 174.74 176.07 3mni s TRP 97 N -0.34 0.67 0.45 1.40 -2.14 -1.22 -0.63 118.94 117.12 3mni s TRP 97 Ca 0.05 -0.98 0.07 0.00 2.66 0.00 0.00 56.10 57.90 3mni s TRP 97 Cb -0.08 0.05 -0.01 0.00 -3.10 0.00 0.00 33.47 30.33 3mni s TRP 97 CO -0.00 -1.03 0.31 0.20 -2.66 0.00 0.00 176.95 173.78 3mni s GLY 98 N -3.11 2.28 0.40 3.67 0.00 -1.17 -1.08 107.32 108.31 3mni s GLY 98 Ca 0.27 -1.77 0.24 0.00 0.00 0.00 0.00 44.72 43.46 3mni s GLY 98 CO 0.13 -1.85 1.66 1.48 0.00 0.00 0.00 173.10 174.53 3mni h SER 99 N 1.09 0.00 -4.44 1.64 4.64 -1.89 -3.39 113.55 111.20 3mni h SER 99 Ca -0.41 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.65 3mni h SER 99 Cb 1.27 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 3mni h SER 99 CO 0.62 0.00 -0.69 -0.76 -0.87 0.00 0.00 176.83 175.13 3mni s LEU 100 N -5.86 2.38 0.55 5.97 1.43 -1.26 -5.06 118.68 116.84 3mni s LEU 100 Ca 0.07 -1.06 0.35 0.00 -1.03 0.00 0.00 54.13 52.46 3mni s LEU 100 Cb 0.07 -0.12 1.58 0.00 0.03 0.00 0.00 46.19 47.75 3mni s LEU 100 CO 0.65 -0.47 2.05 0.44 0.23 0.00 0.00 176.35 179.24 3mni h ASP 101 N 2.83 0.00 -0.17 2.29 3.32 -1.92 -2.79 116.42 119.98 3mni h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3mni h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3mni h ASP 101 CO 0.64 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 3mni n GLY 102 N -0.25 -0.01 3.33 2.75 0.00 -1.26 -3.66 105.19 106.07 3mni n GLY 102 Ca -0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 3mni n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mni s GLN 103 N -1.77 1.08 0.00 1.61 -2.07 -1.05 -4.68 119.66 112.77 3mni s GLN 103 Ca 0.24 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 3mni s GLN 103 Cb 0.12 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 3mni s GLN 103 CO 0.18 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 3mni n GLY 104 N -0.20 1.06 3.88 2.60 0.00 -1.05 -3.22 105.19 108.25 3mni n GLY 104 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3mni n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mni s SER 105 N 0.00 6.33 -0.19 1.61 1.04 -0.69 -3.40 113.70 118.40 3mni s SER 105 Ca 0.00 1.29 -0.16 0.00 0.48 0.00 0.00 55.95 57.56 3mni s SER 105 Cb 0.00 -2.41 -0.12 0.00 0.10 0.00 0.00 66.02 63.60 3mni s SER 105 CO 0.00 -0.71 -0.05 -0.62 0.98 0.00 0.00 173.24 172.85 3mni n GLU 106 N -2.30 0.53 -2.23 4.02 1.02 -1.26 -4.86 120.64 115.56 3mni n GLU 106 Ca 0.04 0.49 -0.34 0.00 -0.02 0.00 0.00 57.16 57.33 3mni n GLU 106 Cb 0.54 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3mni n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mni s HIS 107 N -2.39 2.79 0.19 -0.32 3.76 -1.26 -4.43 115.29 113.63 3mni s HIS 107 Ca -0.26 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 56.28 3mni s HIS 107 Cb 0.06 -3.17 -0.05 0.00 1.11 0.00 0.00 32.58 30.53 3mni s HIS 107 CO 0.44 -1.34 -0.15 0.95 -0.85 0.00 0.00 174.74 173.79 3mni s THR 108 N -2.01 1.76 -0.17 1.30 -4.23 -1.17 -4.71 115.64 106.41 3mni s THR 108 Ca 0.69 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3mni s THR 108 Cb -0.20 -1.98 0.04 0.00 1.34 0.00 0.00 72.50 71.70 3mni s THR 108 CO 0.29 -0.52 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.07 3mni s VAL 109 N -2.70 1.38 -1.44 2.29 1.01 -0.82 -0.69 120.40 119.44 3mni s VAL 109 Ca 0.20 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3mni s VAL 109 Cb -0.02 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.91 3mni s VAL 109 CO 0.07 0.22 0.25 0.47 0.00 0.00 0.00 175.10 176.10 3mni n ASP 110 N 4.79 -0.70 0.00 3.32 8.00 0.85 -0.73 116.55 132.08 3mni n ASP 110 Ca -0.14 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3mni n ASP 110 Cb 0.48 -1.78 0.00 0.00 -0.02 0.00 0.00 41.12 39.80 3mni n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mni n LYS 111 N -4.70 -0.69 -2.63 -1.24 4.76 -1.26 -4.99 118.16 107.40 3mni n LYS 111 Ca -0.26 0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 3mni n LYS 111 Cb 0.66 -4.42 -0.03 0.00 -1.84 0.00 0.00 35.03 29.40 3mni n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3mni s LYS 112 N -1.21 4.50 0.03 1.97 2.20 0.10 -5.01 119.74 122.32 3mni s LYS 112 Ca 0.00 1.51 -0.06 0.00 -0.36 0.00 0.00 55.97 57.05 3mni s LYS 112 Cb 0.00 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3mni s LYS 112 CO 0.00 -0.16 0.29 0.15 -0.36 0.00 0.00 175.35 175.27 3mni s LYS 113 N 1.24 3.60 0.41 4.03 1.02 -1.26 -1.94 119.74 126.84 3mni s LYS 113 Ca 0.53 -0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.54 3mni s LYS 113 Cb -0.23 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3mni s LYS 113 CO 0.26 0.62 0.42 0.71 -0.92 0.00 0.00 175.35 176.45 3mni s TYR 114 N -1.35 2.75 0.32 3.18 2.02 -1.26 -4.75 117.35 118.26 3mni s TYR 114 Ca 0.30 -0.45 0.14 0.00 -0.37 0.00 0.00 57.07 56.69 3mni s TYR 114 Cb -0.13 -2.20 0.68 0.00 -0.40 0.00 0.00 41.96 39.91 3mni s TYR 114 CO 0.18 -0.17 1.78 0.00 -1.57 0.00 0.00 175.55 175.76 3mni h ALA 115 N 0.94 1.22 -2.69 3.71 0.00 -1.39 -1.76 119.26 119.29 3mni h ALA 115 Ca -0.41 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.24 3mni h ALA 115 Cb 1.27 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3mni h ALA 115 CO 0.54 0.52 0.35 0.00 0.00 0.00 0.00 179.25 180.66 3mni s ALA 116 N -3.97 -1.43 -0.05 0.00 0.00 -1.15 -3.06 121.76 112.10 3mni s ALA 116 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 3mni s ALA 116 Cb 0.13 0.75 0.03 0.00 0.00 0.00 0.00 23.12 24.04 3mni s ALA 116 CO 0.72 -1.03 0.09 -2.00 0.00 0.00 0.00 175.76 173.54 3mni s GLU 117 N -3.62 0.02 -0.14 0.00 2.12 0.19 -1.55 118.70 115.72 3mni s GLU 117 Ca 0.11 0.30 -0.14 0.00 0.36 0.00 0.00 54.97 55.61 3mni s GLU 117 Cb -0.04 -0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 3mni s GLU 117 CO 0.04 -0.18 0.30 -1.17 -0.54 0.00 0.00 175.26 173.71 3mni s LEU 118 N 1.23 4.28 -0.19 2.70 2.96 0.07 -1.03 118.68 128.70 3mni s LEU 118 Ca -0.08 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3mni s LEU 118 Cb -0.12 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.22 3mni s LEU 118 CO -0.05 0.14 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.95 3mni s HIS 119 N 0.22 2.84 -0.30 5.38 3.76 -0.04 -1.15 115.29 125.99 3mni s HIS 119 Ca 0.17 -1.76 -0.12 0.00 -0.15 0.00 0.00 55.06 53.20 3mni s HIS 119 Cb -0.13 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 3mni s HIS 119 CO 0.05 -0.82 0.25 -0.51 -0.85 0.00 0.00 174.74 172.86 3mni s LEU 120 N 1.27 4.19 -0.19 0.89 1.43 -0.32 -1.81 118.68 124.14 3mni s LEU 120 Ca 0.02 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3mni s LEU 120 Cb -0.14 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3mni s LEU 120 CO -0.11 -0.15 0.07 -0.69 0.23 0.00 0.00 176.35 175.70 3mni s VAL 121 N 1.82 4.81 0.06 -1.59 1.01 0.13 -1.40 120.40 125.24 3mni s VAL 121 Ca 0.08 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3mni s VAL 121 Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3mni s VAL 121 CO 0.11 0.45 -0.11 -1.00 0.00 0.00 0.00 175.10 174.55 3mni s HIS 122 N 0.47 0.93 0.09 5.22 3.76 -0.14 -1.17 115.29 124.44 3mni s HIS 122 Ca 0.03 -0.49 0.08 0.00 -0.15 0.00 0.00 55.06 54.54 3mni s HIS 122 Cb -0.13 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 3mni s HIS 122 CO 0.01 -0.02 -0.21 1.67 -0.85 0.00 0.00 174.74 175.34 3mni s TRP 123 N -1.37 1.83 -0.10 1.40 1.48 -0.08 -1.35 118.94 120.75 3mni s TRP 123 Ca -0.06 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.28 3mni s TRP 123 Cb -0.10 -1.03 -0.05 0.00 -1.16 0.00 0.00 33.47 31.14 3mni s TRP 123 CO 0.01 0.18 1.71 1.21 -4.06 0.00 0.00 176.95 176.00 3mni s ASN 124 N -1.71 6.49 0.14 -2.66 3.84 -0.05 -0.73 114.94 120.26 3mni s ASN 124 Ca 0.07 2.08 0.21 0.00 0.21 0.00 0.00 52.86 55.43 3mni s ASN 124 Cb -0.10 -2.53 0.85 0.00 -0.55 0.00 0.00 41.25 38.92 3mni s ASN 124 CO 0.04 -1.09 1.64 0.35 -2.79 0.00 0.00 177.10 175.24 3mni n THR 125 N 5.88 0.81 0.27 -5.21 -2.24 -0.59 -1.79 114.28 111.42 3mni n THR 125 Ca 0.19 0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.29 3mni n THR 125 Cb 0.43 -1.00 0.73 0.00 -2.10 0.00 0.00 70.33 68.39 3mni n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mni h LYS 127 N 0.00 0.00 -0.01 -0.78 2.10 -1.90 -2.38 116.57 113.60 3mni h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mni h LYS 127 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3mni h LYS 127 CO 0.00 0.09 -0.22 0.66 -2.00 0.00 0.00 179.45 177.98 3mni n TYR 128 N -3.34 0.00 0.00 0.07 4.01 -0.74 -4.98 117.16 112.18 3mni n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3mni n TYR 128 Cb 0.28 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3mni n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mni n GLY 129 N 1.33 2.19 3.41 2.72 0.00 -0.90 -4.57 105.19 109.37 3mni n GLY 129 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3mni n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mni s ASP 130 N 0.17 -0.26 0.24 1.61 1.47 -1.26 -5.05 116.67 113.59 3mni s ASP 130 Ca 0.00 -0.39 -0.05 0.00 1.18 0.00 0.00 52.55 53.29 3mni s ASP 130 Cb 0.00 0.52 0.26 0.00 -0.34 0.00 0.00 42.92 43.36 3mni s ASP 130 CO 0.00 -0.95 1.79 0.15 0.68 0.00 0.00 175.17 176.85 3mni h PHE 131 N 2.28 1.07 -0.56 2.11 3.57 -1.95 -1.82 116.94 121.64 3mni h PHE 131 Ca -0.32 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 3mni h PHE 131 Cb 1.26 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3mni h PHE 131 CO 0.33 0.84 0.30 0.78 -2.23 0.00 0.00 178.31 178.34 3mni h GLY 132 N 1.08 0.82 1.11 2.40 0.00 -1.96 -2.17 103.07 104.34 3mni h GLY 132 Ca 0.23 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 3mni h GLY 132 CO -0.01 0.34 -0.80 0.50 0.00 0.00 0.00 176.54 176.56 3mni h LYS 133 N 0.77 0.70 -0.80 4.80 1.79 -1.75 -3.32 116.57 118.76 3mni h LYS 133 Ca 0.20 -0.64 0.10 0.00 -2.18 0.00 0.00 60.65 58.14 3mni h LYS 133 Cb 0.02 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 3mni h LYS 133 CO -0.03 1.24 0.52 0.00 -1.08 0.00 0.00 179.45 180.10 3mni h ALA 134 N 0.47 1.79 0.00 3.86 0.00 -0.90 -2.29 119.26 122.19 3mni h ALA 134 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mni h ALA 134 Cb 1.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3mni h ALA 134 CO 0.16 0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.78 3mni n VAL 135 N -4.51 0.71 1.53 0.00 0.24 -0.85 -1.95 118.33 113.50 3mni n VAL 135 Ca 0.14 0.05 0.10 0.00 -2.04 0.00 0.00 64.34 62.58 3mni n VAL 135 Cb 0.35 -0.92 0.44 0.00 -1.47 0.00 0.00 33.84 32.25 3mni n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mni n GLN 136 N -2.14 1.44 -4.62 7.34 6.02 -0.86 -4.65 117.38 119.92 3mni n GLN 136 Ca 0.04 -0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 56.06 3mni n GLN 136 Cb 0.30 -1.35 -0.13 0.00 1.02 0.00 0.00 30.24 30.07 3mni n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mni s GLN 137 N -1.87 1.80 0.57 -1.09 -1.52 -0.82 -5.02 119.66 111.70 3mni s GLN 137 Ca 0.30 -1.13 0.34 0.00 -1.95 0.00 0.00 55.36 52.93 3mni s GLN 137 Cb 0.16 -2.05 1.67 0.00 -0.22 0.00 0.00 33.01 32.56 3mni s GLN 137 CO 0.24 0.50 2.11 -1.00 -0.25 0.00 0.00 175.29 176.90 3mni h PRO 138 N 4.35 0.00 -0.34 2.91 0.13 -1.86 -2.43 132.00 134.76 3mni h PRO 138 Ca -0.48 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.40 3mni h PRO 138 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 3mni h PRO 138 CO 0.44 0.05 -0.61 -0.40 -0.23 0.00 0.00 178.00 177.25 3mni n ASP 139 N -3.27 3.17 0.11 1.44 5.75 -1.26 -4.22 116.55 118.27 3mni n ASP 139 Ca -0.01 -3.84 -0.20 0.00 -0.01 0.00 0.00 54.79 50.73 3mni n ASP 139 Cb 0.23 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 39.71 3mni n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3mni h GLY 140 N 1.51 0.43 -3.25 6.12 0.00 -1.21 -3.43 103.07 103.24 3mni h GLY 140 Ca 0.17 -1.09 -0.66 0.00 0.00 0.00 0.00 47.33 45.76 3mni h GLY 140 CO 0.35 0.95 -0.83 1.08 0.00 0.00 0.00 176.54 178.10 3mni s LEU 141 N -7.28 2.42 -0.09 3.11 1.43 0.16 -0.87 118.68 117.57 3mni s LEU 141 Ca -0.08 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3mni s LEU 141 Cb 0.06 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.13 3mni s LEU 141 CO 0.90 0.12 -0.09 0.00 0.23 0.00 0.00 176.35 177.50 3mni s ALA 142 N -1.63 1.26 -0.13 4.21 0.00 -0.46 -1.09 121.76 123.92 3mni s ALA 142 Ca 0.20 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.72 3mni s ALA 142 Cb -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3mni s ALA 142 CO 0.09 -0.17 -0.20 0.08 0.00 0.00 0.00 175.76 175.56 3mni s VAL 143 N 1.22 2.28 -0.14 0.00 1.01 -0.89 -0.97 120.40 122.91 3mni s VAL 143 Ca -0.04 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 3mni s VAL 143 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3mni s VAL 143 CO -0.03 0.54 0.47 -0.22 0.00 0.00 0.00 175.10 175.86 3mni s LEU 144 N 0.67 4.25 -0.10 3.92 2.96 -0.49 -1.37 118.68 128.51 3mni s LEU 144 Ca -0.10 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 3mni s LEU 144 Cb -0.16 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 3mni s LEU 144 CO 0.02 -0.03 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.05 3mni s GLY 145 N 0.73 1.54 -0.06 7.98 0.00 0.54 -1.17 107.32 116.87 3mni s GLY 145 Ca 0.25 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 44.07 3mni s GLY 145 CO 0.10 -0.38 -0.12 -0.42 0.00 0.00 0.00 173.10 172.27 3mni s ILE 146 N -0.01 1.10 0.29 0.90 1.01 -0.30 -0.86 121.20 123.32 3mni s ILE 146 Ca -0.04 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3mni s ILE 146 Cb -0.14 -0.99 -0.09 0.00 0.01 0.00 0.00 42.46 41.24 3mni s ILE 146 CO 0.04 0.34 0.77 -0.36 0.00 0.00 0.00 174.94 175.73 3mni s PHE 147 N 0.52 3.51 -0.16 3.97 0.08 -1.26 -0.75 117.98 123.89 3mni s PHE 147 Ca -0.11 1.38 -0.01 0.00 0.12 0.00 0.00 56.93 58.31 3mni s PHE 147 Cb -0.14 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.67 3mni s PHE 147 CO 0.03 0.19 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.71 3mni s LEU 148 N -2.49 2.64 0.27 -0.37 1.02 -0.60 -1.04 118.68 118.11 3mni s LEU 148 Ca 0.50 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 54.32 3mni s LEU 148 Cb -0.14 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 3mni s LEU 148 CO 0.19 0.08 0.13 -1.59 0.02 0.00 0.00 176.35 175.18 3mni s LYS 149 N 0.86 2.65 -0.17 1.70 -2.85 -0.24 -1.69 119.74 120.01 3mni s LYS 149 Ca -0.03 -1.23 -0.14 0.00 -1.00 0.00 0.00 55.97 53.57 3mni s LYS 149 Cb -0.15 -2.39 -0.05 0.00 -2.06 0.00 0.00 37.83 33.18 3mni s LYS 149 CO -0.00 0.35 0.29 0.08 0.10 0.00 0.00 175.35 176.17 3mni s VAL 150 N -2.23 5.31 0.00 1.79 1.01 -1.26 -1.18 120.40 123.84 3mni s VAL 150 Ca 0.33 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3mni s VAL 150 Cb -0.07 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3mni s VAL 150 CO 0.23 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3mni n GLY 151 N 3.45 0.46 3.80 4.51 0.00 0.39 -4.89 105.19 112.92 3mni n GLY 151 Ca -0.12 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 3mni n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mni s SER 152 N 2.00 6.58 0.59 1.61 0.01 -1.26 -4.08 113.70 119.15 3mni s SER 152 Ca 0.00 1.85 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 3mni s SER 152 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3mni s SER 152 CO 0.00 -0.61 1.28 0.00 0.41 0.00 0.00 173.24 174.32 3mni n ALA 153 N -0.79 1.22 -2.88 1.44 0.00 -1.26 -2.62 120.51 115.62 3mni n ALA 153 Ca 0.08 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3mni n ALA 153 Cb 0.53 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 3mni n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3mni s LYS 154 N -3.04 2.80 0.34 0.00 2.47 -1.23 -4.83 119.74 116.25 3mni s LYS 154 Ca 0.76 -1.16 0.03 0.00 -1.56 0.00 0.00 55.97 54.05 3mni s LYS 154 Cb -0.41 -3.77 0.64 0.00 -1.46 0.00 0.00 37.83 32.83 3mni s LYS 154 CO 0.46 -0.76 1.97 -1.35 0.16 0.00 0.00 175.35 175.82 3mni h PRO 155 N 8.46 0.84 0.00 4.03 0.11 -1.92 -2.18 132.00 141.34 3mni h PRO 155 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3mni h PRO 155 Cb 1.10 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3mni h PRO 155 CO 0.70 0.56 0.00 0.41 -0.21 0.00 0.00 178.00 179.45 3mni n GLY 156 N -1.43 -1.23 0.12 -0.55 0.00 -1.26 -1.93 105.19 98.91 3mni n GLY 156 Ca 0.10 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3mni n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mni h LEU 157 N 0.00 0.00 -1.23 0.99 5.85 -1.64 -3.40 115.31 115.88 3mni h LEU 157 Ca 0.00 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3mni h LEU 157 Cb 0.37 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3mni h LEU 157 CO 0.00 0.03 0.54 -0.61 -0.34 0.00 0.00 178.44 178.06 3mni h GLN 158 N 0.00 0.93 -0.75 1.25 5.75 -1.41 -1.34 115.11 119.54 3mni h GLN 158 Ca 0.00 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3mni h GLN 158 Cb 0.93 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.23 3mni h GLN 158 CO 0.00 0.62 0.50 -0.22 -2.65 0.00 0.00 178.83 177.07 3mni h LYS 159 N 0.96 0.92 -0.29 1.69 3.64 -1.78 -0.62 116.57 121.09 3mni h LYS 159 Ca 0.34 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3mni h LYS 159 Cb 0.14 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3mni h LYS 159 CO -0.11 0.61 -0.13 0.28 -2.27 0.00 0.00 179.45 177.83 3mni h VAL 160 N 0.95 1.29 -0.03 2.00 2.07 -1.55 -3.20 116.25 117.80 3mni h VAL 160 Ca 0.29 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 3mni h VAL 160 Cb -0.01 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3mni h VAL 160 CO -0.08 0.39 -0.39 -0.37 0.02 0.00 0.00 177.57 177.14 3mni h VAL 161 N 0.35 1.29 0.00 2.57 -1.51 -0.73 -2.83 116.25 115.39 3mni h VAL 161 Ca 0.07 -1.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.15 3mni h VAL 161 Cb 0.64 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3mni h VAL 161 CO 0.04 0.40 -0.08 0.44 -1.23 0.00 0.00 177.57 177.14 3mni h ASP 162 N 0.05 0.00 0.30 4.19 3.32 -1.14 -3.00 116.42 120.13 3mni h ASP 162 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mni h ASP 162 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3mni h ASP 162 CO 0.05 0.08 -0.80 0.52 -1.72 0.00 0.00 179.24 177.37 3mni n VAL 163 N -3.23 0.03 0.07 -1.35 0.31 -1.07 -4.44 118.33 108.66 3mni n VAL 163 Ca 0.00 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.36 3mni n VAL 163 Cb 0.33 0.52 0.53 0.00 -0.91 0.00 0.00 33.84 34.30 3mni n VAL 163 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3mni h LEU 164 N 0.00 0.27 -1.34 7.52 3.38 -1.52 -0.69 115.31 122.93 3mni h LEU 164 Ca 0.00 -0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 3mni h LEU 164 Cb 0.55 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 3mni h LEU 164 CO 0.00 0.18 0.64 0.44 0.09 0.00 0.00 178.44 179.80 3mni h ASP 165 N 0.31 0.49 0.40 -0.43 3.32 -1.80 -1.97 116.42 116.74 3mni h ASP 165 Ca 0.13 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3mni h ASP 165 Cb 0.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3mni h ASP 165 CO -0.03 0.13 -0.13 -1.54 -1.72 0.00 0.00 179.24 175.95 3mni n SER 166 N -4.62 0.48 -2.52 6.45 3.41 -0.26 -3.83 113.62 112.72 3mni n SER 166 Ca 0.24 -0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 58.20 3mni n SER 166 Cb 0.79 -0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 3mni n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mni n ILE 167 N -0.99 1.72 0.01 -1.33 -5.35 -0.75 -4.72 119.36 107.96 3mni n ILE 167 Ca 0.13 -3.63 0.01 0.00 -0.27 0.00 0.00 62.75 58.99 3mni n ILE 167 Cb 0.29 0.08 0.33 0.00 -1.74 0.00 0.00 39.64 38.61 3mni n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mni h LYS 168 N 2.58 0.50 -6.09 6.28 3.64 -1.65 -3.42 116.57 118.41 3mni h LYS 168 Ca 0.08 -0.09 -0.61 0.00 -1.27 0.00 0.00 60.65 58.76 3mni h LYS 168 Cb 1.26 -0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 3mni h LYS 168 CO 0.52 0.49 -0.71 0.95 -2.27 0.00 0.00 179.45 178.43 3mni s THR 169 N -5.06 2.45 0.14 1.00 -4.23 -1.26 -0.84 115.64 107.84 3mni s THR 169 Ca -0.07 -2.27 -0.33 0.00 -1.18 0.00 0.00 61.69 57.83 3mni s THR 169 Cb 0.16 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.38 3mni s THR 169 CO 0.75 -0.31 1.71 -0.67 -0.54 0.00 0.00 174.62 175.57 3mni n ASP 170 N -0.73 3.64 0.00 3.99 2.03 -0.28 -2.18 116.55 123.02 3mni n ASP 170 Ca -0.05 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.30 3mni n ASP 170 Cb 0.61 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 3mni n ASP 170 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mni n GLY 171 N 3.88 1.20 3.75 0.27 0.00 0.59 -4.54 105.19 110.34 3mni n GLY 171 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3mni n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mni s LYS 172 N -0.77 4.67 0.10 1.61 -0.14 -0.93 -4.88 119.74 119.40 3mni s LYS 172 Ca 0.00 1.73 0.03 0.00 -1.36 0.00 0.00 55.97 56.36 3mni s LYS 172 Cb 0.00 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 3mni s LYS 172 CO 0.00 0.23 -0.08 -1.54 -0.76 0.00 0.00 175.35 173.20 3mni s SER 173 N -0.73 1.28 -0.01 2.83 1.04 -1.26 -0.74 113.70 116.11 3mni s SER 173 Ca 0.45 -0.95 -0.06 0.00 0.48 0.00 0.00 55.95 55.86 3mni s SER 173 Cb -0.30 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.88 3mni s SER 173 CO 0.38 -0.40 0.13 0.00 0.98 0.00 0.00 173.24 174.33 3mni s ALA 174 N -3.28 -0.30 0.23 5.32 0.00 0.02 -4.94 121.76 118.81 3mni s ALA 174 Ca 0.11 -0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.70 3mni s ALA 174 Cb 0.03 0.04 -0.14 0.00 0.00 0.00 0.00 23.12 23.05 3mni s ALA 174 CO -0.03 -0.17 1.40 -0.25 0.00 0.00 0.00 175.76 176.71 3mni n ASP 175 N 1.79 2.66 -3.16 0.00 8.00 -1.26 -1.24 116.55 123.35 3mni n ASP 175 Ca -0.21 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.24 3mni n ASP 175 Cb 0.56 -1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 3mni n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3mni n PHE 176 N 2.00 -1.74 -3.81 1.24 7.35 0.03 -4.74 117.46 117.79 3mni n PHE 176 Ca 0.12 -2.75 -0.21 0.00 -0.76 0.00 0.00 57.45 53.85 3mni n PHE 176 Cb 0.31 0.56 -0.02 0.00 0.35 0.00 0.00 39.48 40.68 3mni n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3mni s THR 177 N 0.10 4.94 -1.58 -2.13 -4.23 -1.26 -3.46 115.64 108.02 3mni s THR 177 Ca 0.33 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 3mni s THR 177 Cb 0.07 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3mni s THR 177 CO -0.15 -0.30 0.19 0.59 -0.54 0.00 0.00 174.62 174.41 3mni n ASN 178 N -1.49 -5.63 -4.74 3.99 4.13 -1.26 -4.98 115.26 105.28 3mni n ASN 178 Ca -0.06 -0.10 -0.39 0.00 1.68 0.00 0.00 54.58 55.71 3mni n ASN 178 Cb 0.57 -4.60 -0.05 0.00 -1.54 0.00 0.00 39.78 34.16 3mni n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3mni s PHE 179 N -3.02 3.60 -0.38 3.10 5.36 -1.26 -5.02 117.98 120.37 3mni s PHE 179 Ca 0.09 1.11 -0.12 0.00 -0.96 0.00 0.00 56.93 57.05 3mni s PHE 179 Cb -0.04 -2.63 0.03 0.00 -0.34 0.00 0.00 43.02 40.03 3mni s PHE 179 CO 0.11 0.24 0.23 0.34 -1.46 0.00 0.00 175.22 174.68 3mni s ASP 180 N 0.29 5.83 0.00 6.13 -1.08 -1.26 -4.42 116.67 122.15 3mni s ASP 180 Ca 0.31 -0.96 0.24 0.00 -0.52 0.00 0.00 52.55 51.62 3mni s ASP 180 Cb -0.17 -2.06 1.33 0.00 -1.46 0.00 0.00 42.92 40.56 3mni s ASP 180 CO 0.15 -0.40 1.80 -0.81 0.52 0.00 0.00 175.17 176.43 3mni n PRO 181 N 5.04 0.57 0.27 4.34 -0.04 -1.26 -2.32 135.00 141.60 3mni n PRO 181 Ca -0.12 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.51 3mni n PRO 181 Cb 0.46 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.20 3mni n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mni h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.69 114.38 114.39 3mni h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mni h ARG 182 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3mni h ARG 182 CO 0.00 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 3mni n GLY 183 N -0.75 -0.86 0.76 0.04 0.00 -0.98 -2.96 105.19 100.45 3mni n GLY 183 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3mni n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mni n LEU 184 N -1.19 2.62 -4.85 0.99 4.77 -0.63 -4.43 117.00 114.27 3mni n LEU 184 Ca 0.12 -1.07 -0.37 0.00 -0.03 0.00 0.00 56.01 54.66 3mni n LEU 184 Cb 0.13 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3mni n LEU 184 CO 0.14 0.47 0.11 -0.76 -1.33 0.00 0.00 177.39 176.02 3mni s LEU 185 N -1.51 4.42 1.04 2.23 1.43 -1.16 -4.94 118.68 120.20 3mni s LEU 185 Ca 0.23 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.10 3mni s LEU 185 Cb 0.16 -2.78 0.21 0.00 0.03 0.00 0.00 46.19 43.81 3mni s LEU 185 CO 0.23 0.25 1.12 -2.16 0.23 0.00 0.00 176.35 176.03 3mni s PRO 186 N -1.44 0.05 0.13 1.29 0.04 -1.26 -4.98 135.00 128.82 3mni s PRO 186 Ca 0.28 0.24 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 3mni s PRO 186 Cb -0.16 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 3mni s PRO 186 CO 0.15 -2.92 1.68 0.93 0.04 0.00 0.00 177.00 176.88 3mni h GLU 187 N -2.02 0.53 -6.03 4.56 5.08 -1.92 -3.44 114.58 111.34 3mni h GLU 187 Ca -0.51 -0.09 -0.60 0.00 -1.00 0.00 0.00 59.36 57.15 3mni h GLU 187 Cb 1.32 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 3mni h GLU 187 CO 0.51 0.51 -0.28 0.45 -1.00 0.00 0.00 179.01 179.20 3mni s SER 188 N -5.79 6.63 -0.21 1.42 0.15 -1.26 -5.00 113.70 109.65 3mni s SER 188 Ca -0.13 0.76 0.15 0.00 0.70 0.00 0.00 55.95 57.43 3mni s SER 188 Cb 0.10 -2.17 0.69 0.00 -1.71 0.00 0.00 66.02 62.93 3mni s SER 188 CO 0.74 0.22 1.60 0.18 1.20 0.00 0.00 173.24 177.19 3mni n LEU 189 N 1.15 4.90 -4.76 3.45 4.77 -1.26 -4.72 117.00 120.52 3mni n LEU 189 Ca -0.10 -2.95 -0.39 0.00 -0.03 0.00 0.00 56.01 52.54 3mni n LEU 189 Cb 0.52 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3mni n LEU 189 CO 0.41 0.66 0.94 -1.81 -1.33 0.00 0.00 177.39 176.25 3mni s ASP 190 N -1.29 6.01 0.13 -1.43 1.01 -1.26 -4.76 116.67 115.07 3mni s ASP 190 Ca 0.49 2.60 -0.13 0.00 0.71 0.00 0.00 52.55 56.22 3mni s ASP 190 Cb 0.38 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.70 3mni s ASP 190 CO 0.13 -1.05 0.33 -0.72 0.21 0.00 0.00 175.17 174.07 3mni s TYR 191 N -1.35 -0.01 0.13 4.23 -0.85 -1.26 -1.21 117.35 117.04 3mni s TYR 191 Ca 0.62 -0.35 0.06 0.00 -0.52 0.00 0.00 57.07 56.88 3mni s TYR 191 Cb -0.36 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 3mni s TYR 191 CO 0.45 -0.68 -0.01 -1.58 -1.52 0.00 0.00 175.55 172.21 3mni s TRP 192 N -3.85 2.90 0.01 -3.49 0.51 -0.17 -1.02 118.94 113.82 3mni s TRP 192 Ca 0.06 -0.09 0.00 0.00 -2.12 0.00 0.00 56.10 53.95 3mni s TRP 192 Cb 0.03 -1.45 -0.01 0.00 -0.81 0.00 0.00 33.47 31.23 3mni s TRP 192 CO -0.09 0.49 -0.02 -0.08 -0.51 0.00 0.00 176.95 176.74 3mni s THR 193 N -1.48 0.09 0.19 2.01 -1.32 0.10 -0.87 115.64 114.36 3mni s THR 193 Ca 0.26 -0.27 -0.19 0.00 -1.21 0.00 0.00 61.69 60.28 3mni s THR 193 Cb -0.11 -0.13 0.03 0.00 -1.51 0.00 0.00 72.50 70.79 3mni s THR 193 CO 0.18 -0.11 0.55 -0.72 -2.21 0.00 0.00 174.62 172.30 3mni s TYR 194 N -0.39 -0.19 -0.03 9.09 1.13 -1.01 -1.42 117.35 124.52 3mni s TYR 194 Ca -0.04 -0.14 -0.21 0.00 -1.41 0.00 0.00 57.07 55.27 3mni s TYR 194 Cb -0.03 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 3mni s TYR 194 CO -0.00 -0.93 0.61 -1.25 -2.51 0.00 0.00 175.55 171.47 3mni s PRO 195 N -3.86 4.36 0.00 -3.49 0.04 -1.26 -1.35 135.00 129.44 3mni s PRO 195 Ca 0.08 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.86 3mni s PRO 195 Cb -0.01 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3mni s PRO 195 CO -0.04 0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.67 3mni n GLY 196 N 2.73 4.13 3.33 0.56 0.00 0.12 -4.84 105.19 111.21 3mni n GLY 196 Ca -0.05 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 3mni n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mni s SER 197 N 1.64 1.44 0.53 1.61 1.04 -1.09 -2.24 113.70 116.63 3mni s SER 197 Ca 0.00 -1.51 -0.21 0.00 0.48 0.00 0.00 55.95 54.71 3mni s SER 197 Cb 0.00 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 3mni s SER 197 CO 0.00 -0.85 1.26 -0.76 0.98 0.00 0.00 173.24 173.88 3mni s LEU 198 N -3.36 3.85 0.00 2.42 1.43 -0.61 -4.51 118.68 117.90 3mni s LEU 198 Ca 0.36 2.53 0.21 0.00 -1.03 0.00 0.00 54.13 56.20 3mni s LEU 198 Cb 0.06 -4.35 0.44 0.00 0.03 0.00 0.00 46.19 42.37 3mni s LEU 198 CO 0.16 -1.39 1.38 0.35 0.23 0.00 0.00 176.35 177.08 3mni n THR 199 N -1.02 0.66 -4.43 5.49 -2.24 -1.26 -4.45 114.28 107.02 3mni n THR 199 Ca 0.10 -0.83 -0.22 0.00 -2.27 0.00 0.00 64.05 60.83 3mni n THR 199 Cb 0.47 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 3mni n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mni s THR 200 N -1.27 2.23 0.29 4.28 -4.23 -1.26 -4.74 115.64 110.94 3mni s THR 200 Ca 0.38 -2.34 -0.28 0.00 -1.18 0.00 0.00 61.69 58.26 3mni s THR 200 Cb 0.21 -2.23 -0.14 0.00 1.34 0.00 0.00 72.50 71.69 3mni s THR 200 CO 0.29 -0.46 1.10 -2.65 -0.54 0.00 0.00 174.62 172.37 3mni n PRO 201 N -0.55 1.56 -0.08 3.99 -0.02 -1.26 -0.41 135.00 138.23 3mni n PRO 201 Ca -0.06 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.00 3mni n PRO 201 Cb 0.60 -1.99 0.12 0.00 -0.02 0.00 0.00 33.50 32.21 3mni n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mni n PRO 202 N 0.81 1.37 -2.06 0.52 -0.04 -1.26 -5.01 135.00 129.33 3mni n PRO 202 Ca 0.09 -0.58 -0.18 0.00 -0.04 0.00 0.00 63.50 62.79 3mni n PRO 202 Cb 0.32 -1.15 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 3mni n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mni n LEU 203 N -0.05 -1.64 -4.76 1.53 4.77 0.45 -4.91 117.00 112.39 3mni n LEU 203 Ca 0.07 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 3mni n LEU 203 Cb 0.14 -2.58 0.01 0.00 -2.33 0.00 0.00 43.42 38.67 3mni n LEU 203 CO 0.05 -0.44 0.93 -0.76 -1.33 0.00 0.00 177.39 175.83 3mni s LEU 204 N -4.79 4.02 -1.28 2.23 1.43 -1.26 -4.44 118.68 114.59 3mni s LEU 204 Ca 0.00 2.59 -0.08 0.00 -1.03 0.00 0.00 54.13 55.61 3mni s LEU 204 Cb 0.00 -4.14 0.17 0.00 0.03 0.00 0.00 46.19 42.25 3mni s LEU 204 CO 0.00 -1.13 1.95 -0.62 0.23 0.00 0.00 176.35 176.78 3mni n GLU 205 N -0.47 3.84 -0.11 1.70 1.02 -1.26 -1.57 120.64 123.78 3mni n GLU 205 Ca 0.07 -3.56 0.03 0.00 -0.02 0.00 0.00 57.16 53.68 3mni n GLU 205 Cb 0.45 -2.85 0.04 0.00 -0.02 0.00 0.00 31.44 29.06 3mni n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mni s VAL 207 N -1.15 3.00 -0.37 0.00 1.01 -0.95 -0.67 120.40 121.26 3mni s VAL 207 Ca 0.09 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 3mni s VAL 207 Cb 0.08 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3mni s VAL 207 CO 0.01 0.53 0.52 -0.89 0.00 0.00 0.00 175.10 175.27 3mni s THR 208 N 0.33 5.00 0.12 3.92 2.01 -0.25 0.14 115.64 126.90 3mni s THR 208 Ca -0.11 0.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 3mni s THR 208 Cb -0.16 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.27 3mni s THR 208 CO 0.06 -0.30 0.78 0.26 -0.69 0.00 0.00 174.62 174.73 3mni s TRP 209 N 2.42 3.84 -0.26 4.92 0.52 -0.45 -2.10 118.94 127.83 3mni s TRP 209 Ca 0.18 1.59 -0.00 0.00 0.02 0.00 0.00 56.10 57.88 3mni s TRP 209 Cb -0.15 -2.80 0.08 0.00 -1.15 0.00 0.00 33.47 29.45 3mni s TRP 209 CO 0.14 0.42 0.04 0.42 0.02 0.00 0.00 176.95 177.99 3mni s ILE 210 N -0.71 1.09 -0.18 2.03 1.01 -0.47 -2.41 121.20 121.56 3mni s ILE 210 Ca 0.37 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 3mni s ILE 210 Cb -0.22 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3mni s ILE 210 CO 0.25 -0.40 -0.02 -0.69 0.00 0.00 0.00 174.94 174.08 3mni s VAL 211 N 1.55 3.85 0.29 2.92 1.01 -0.05 -0.34 120.40 129.64 3mni s VAL 211 Ca 0.03 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 3mni s VAL 211 Cb -0.18 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 3mni s VAL 211 CO -0.14 0.46 0.87 -0.76 0.00 0.00 0.00 175.10 175.52 3mni s LEU 212 N 0.76 4.33 0.17 3.92 1.43 -0.04 -1.00 118.68 128.24 3mni s LEU 212 Ca -0.01 1.69 -0.08 0.00 -1.03 0.00 0.00 54.13 54.70 3mni s LEU 212 Cb -0.14 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.22 3mni s LEU 212 CO 0.02 -0.05 1.51 0.50 0.23 0.00 0.00 176.35 178.56 3mni h LYS 213 N 3.20 0.82 -5.29 1.70 3.64 -1.50 -3.43 116.57 115.72 3mni h LYS 213 Ca -0.47 -0.44 -0.62 0.00 -1.27 0.00 0.00 60.65 57.85 3mni h LYS 213 Cb 1.19 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 3mni h LYS 213 CO 0.65 1.07 -0.08 -2.00 -2.27 0.00 0.00 179.45 176.82 3mni s GLU 214 N -4.33 4.01 0.71 1.90 2.12 -1.26 -5.02 118.70 116.84 3mni s GLU 214 Ca -0.10 0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.32 3mni s GLU 214 Cb 0.11 -3.67 0.02 0.00 0.26 0.00 0.00 34.13 30.86 3mni s GLU 214 CO 0.87 -0.36 1.08 -2.14 -0.54 0.00 0.00 175.26 174.16 3mni s PRO 215 N 2.26 2.69 0.20 4.30 0.02 -1.26 -4.67 135.00 138.54 3mni s PRO 215 Ca 0.19 1.10 0.04 0.00 0.02 0.00 0.00 61.00 62.35 3mni s PRO 215 Cb -0.16 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 3mni s PRO 215 CO 0.10 -1.30 0.32 0.96 -0.33 0.00 0.00 177.00 176.74 3mni s ILE 216 N -2.88 5.24 -0.10 2.83 -4.36 -0.20 -4.88 121.20 116.84 3mni s ILE 216 Ca 0.60 -0.87 -0.04 0.00 -0.26 0.00 0.00 60.65 60.08 3mni s ILE 216 Cb -0.16 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.74 3mni s ILE 216 CO 0.53 -0.22 0.05 -0.44 0.24 0.00 0.00 174.94 175.10 3mni s SER 217 N -3.62 5.65 0.21 4.36 0.01 -1.26 -1.07 113.70 117.98 3mni s SER 217 Ca 0.34 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.94 3mni s SER 217 Cb -0.10 -1.70 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 3mni s SER 217 CO 0.28 0.38 -0.16 0.68 0.41 0.00 0.00 173.24 174.84 3mni s VAL 218 N -0.89 1.85 0.48 3.43 -7.23 -0.32 -3.56 120.40 114.17 3mni s VAL 218 Ca 0.13 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 3mni s VAL 218 Cb -0.12 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 3mni s VAL 218 CO 0.03 -0.53 0.79 -0.94 -0.31 0.00 0.00 175.10 174.14 3mni s SER 219 N -3.25 6.26 0.36 4.85 1.04 -1.19 -0.46 113.70 121.31 3mni s SER 219 Ca 0.23 0.93 0.09 0.00 0.48 0.00 0.00 55.95 57.68 3mni s SER 219 Cb -0.02 -2.25 0.83 0.00 0.10 0.00 0.00 66.02 64.68 3mni s SER 219 CO 0.08 -0.58 1.89 -1.28 0.98 0.00 0.00 173.24 174.33 3mni h SER 220 N 0.22 0.63 -0.07 7.02 0.87 -1.93 -2.29 113.55 118.00 3mni h SER 220 Ca -0.47 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 59.96 3mni h SER 220 Cb 1.20 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3mni h SER 220 CO 0.62 0.33 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.41 3mni h GLU 221 N 0.67 0.64 -0.01 2.24 3.07 -1.95 0.24 114.58 119.49 3mni h GLU 221 Ca 0.42 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3mni h GLU 221 Cb 0.67 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3mni h GLU 221 CO -0.18 1.00 -0.00 1.96 -1.40 0.00 0.00 179.01 180.38 3mni h GLN 222 N 0.50 -0.00 -0.08 2.33 4.20 -1.80 -3.08 115.11 117.18 3mni h GLN 222 Ca 0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3mni h GLN 222 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3mni h GLN 222 CO 0.10 -0.00 -0.46 0.28 -0.67 0.00 0.00 178.83 178.09 3mni h VAL 223 N -0.00 1.33 -0.84 -0.54 2.07 -1.29 -2.56 116.25 114.42 3mni h VAL 223 Ca 0.00 -1.62 0.10 0.00 0.82 0.00 0.00 66.70 66.01 3mni h VAL 223 Cb 0.01 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3mni h VAL 223 CO -0.01 0.48 0.55 -0.07 0.02 0.00 0.00 177.57 178.54 3mni h LEU 224 N 0.15 0.71 -0.62 2.57 -0.00 -0.89 -2.07 115.31 115.16 3mni h LEU 224 Ca 0.01 0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.76 3mni h LEU 224 Cb 0.87 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 3mni h LEU 224 CO 0.07 0.42 -0.62 0.11 -0.00 0.00 0.00 178.44 178.41 3mni h LYS 225 N 0.78 0.24 -0.88 1.13 1.57 -1.37 -2.28 116.57 115.76 3mni h LYS 225 Ca 0.39 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3mni h LYS 225 Cb 0.46 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 3mni h LYS 225 CO -0.16 0.79 0.58 0.74 -0.57 0.00 0.00 179.45 180.83 3mni h PHE 226 N 0.18 1.09 0.00 -1.35 -1.00 -1.37 -2.48 116.94 112.00 3mni h PHE 226 Ca -0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3mni h PHE 226 Cb 1.14 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3mni h PHE 226 CO 0.02 0.66 0.00 0.54 -1.61 0.00 0.00 178.31 177.92 3mni n ARG 227 N -4.42 0.38 0.00 1.51 1.74 -0.86 -2.72 116.66 112.28 3mni n ARG 227 Ca 0.11 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.38 3mni n ARG 227 Cb 0.07 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.19 3mni n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mni n LYS 228 N -1.20 0.52 -1.34 5.56 5.02 -0.93 -4.52 118.16 121.27 3mni n LYS 228 Ca 0.11 -0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 55.75 3mni n LYS 228 Cb 0.12 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.77 3mni n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mni s LEU 229 N -2.73 2.17 0.04 -0.35 1.43 -1.10 -4.87 118.68 113.27 3mni s LEU 229 Ca 0.17 1.29 0.07 0.00 -1.03 0.00 0.00 54.13 54.64 3mni s LEU 229 Cb 0.18 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3mni s LEU 229 CO 0.64 -2.56 -0.21 0.20 0.23 0.00 0.00 176.35 174.65 3mni s ASN 230 N -3.65 2.56 0.17 2.29 0.02 -0.02 -0.01 114.94 116.30 3mni s ASN 230 Ca 0.63 -0.52 -0.06 0.00 -1.02 0.00 0.00 52.86 51.89 3mni s ASN 230 Cb -0.17 -0.22 0.04 0.00 0.02 0.00 0.00 41.25 40.92 3mni s ASN 230 CO 0.56 0.18 1.46 -0.26 0.02 0.00 0.00 177.10 179.06 3mni h PHE 231 N 4.91 0.83 -4.36 2.20 0.04 -1.54 -3.36 116.94 115.66 3mni h PHE 231 Ca -0.43 -0.30 -0.50 0.00 2.80 0.00 0.00 57.97 59.54 3mni h PHE 231 Cb 1.16 -0.16 0.08 0.00 2.20 0.00 0.00 35.95 39.23 3mni h PHE 231 CO 0.49 1.07 0.39 0.54 -0.60 0.00 0.00 178.31 180.20 3mni s ASN 232 N -6.94 5.53 0.69 2.17 4.22 -1.26 -4.34 114.94 115.00 3mni s ASN 232 Ca -0.08 1.41 -0.11 0.00 -2.14 0.00 0.00 52.86 51.94 3mni s ASN 232 Cb 0.11 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.33 3mni s ASN 232 CO 0.86 -1.32 1.08 -0.83 -2.04 0.00 0.00 177.10 174.85 3mni s GLY 233 N -4.04 1.63 0.30 0.45 0.00 -1.26 -1.12 107.32 103.28 3mni s GLY 233 Ca 0.57 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.69 3mni s GLY 233 CO 0.54 0.04 1.53 -2.21 0.00 0.00 0.00 173.10 173.00 3mni n GLU 234 N -2.95 2.57 -0.94 2.90 2.13 -1.26 -1.83 120.64 121.26 3mni n GLU 234 Ca 0.07 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.80 3mni n GLU 234 Cb 0.57 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.62 3mni n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mni n GLY 235 N 1.76 0.90 3.98 8.31 0.00 -1.26 -5.02 105.19 113.85 3mni n GLY 235 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3mni n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mni s GLU 236 N -0.06 3.04 0.41 1.61 2.02 -0.76 -5.06 118.70 119.90 3mni s GLU 236 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 53.92 3mni s GLU 236 Cb 0.00 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 3mni s GLU 236 CO 0.00 -0.14 1.40 -2.30 0.02 0.00 0.00 175.26 174.24 3mni n PRO 237 N -1.87 2.30 -2.56 0.39 -0.02 -1.26 -4.91 135.00 127.06 3mni n PRO 237 Ca 0.01 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 3mni n PRO 237 Cb 0.58 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3mni n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mni s GLU 238 N -2.22 4.40 -0.16 -0.52 2.12 -1.26 -4.80 118.70 116.26 3mni s GLU 238 Ca 0.58 1.55 -0.01 0.00 0.36 0.00 0.00 54.97 57.45 3mni s GLU 238 Cb -0.48 -3.53 0.04 0.00 0.26 0.00 0.00 34.13 30.42 3mni s GLU 238 CO 0.60 -0.35 -0.04 -2.00 -0.54 0.00 0.00 175.26 172.93 3mni s GLU 239 N 1.97 1.25 0.42 4.30 2.12 -1.26 -5.07 118.70 122.43 3mni s GLU 239 Ca 0.53 -0.44 -0.25 0.00 0.36 0.00 0.00 54.97 55.17 3mni s GLU 239 Cb -0.22 -1.91 -0.08 0.00 0.26 0.00 0.00 34.13 32.17 3mni s GLU 239 CO 0.21 -0.44 1.19 -0.51 -0.54 0.00 0.00 175.26 175.17 3mni s LEU 240 N 1.69 4.14 -0.93 2.70 1.43 -1.26 -1.56 118.68 124.89 3mni s LEU 240 Ca 0.01 2.39 -0.21 0.00 -1.03 0.00 0.00 54.13 55.29 3mni s LEU 240 Cb -0.15 -4.06 0.09 0.00 0.03 0.00 0.00 46.19 42.10 3mni s LEU 240 CO -0.07 -0.78 1.24 -0.32 0.23 0.00 0.00 176.35 176.65 3mni s MET 241 N -2.40 3.54 0.05 1.70 -2.45 0.99 -4.61 119.30 116.12 3mni s MET 241 Ca 0.59 -1.37 -0.02 0.00 -1.25 0.00 0.00 55.69 53.64 3mni s MET 241 Cb -0.31 -5.00 -0.04 0.00 1.25 0.00 0.00 34.83 30.73 3mni s MET 241 CO 0.39 -1.96 -0.01 0.14 1.05 0.00 0.00 175.02 174.64 3mni s VAL 242 N 3.80 0.21 -1.35 10.11 -7.23 -1.26 -4.51 120.40 120.17 3mni s VAL 242 Ca 0.37 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 3mni s VAL 242 Cb -0.04 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.48 3mni s VAL 242 CO -0.07 -0.94 0.77 0.47 -0.31 0.00 0.00 175.10 175.02 3mni n ASP 243 N 0.17 -1.95 -2.64 4.85 8.00 -0.24 -4.86 116.55 119.88 3mni n ASP 243 Ca -0.15 -0.80 -0.33 0.00 0.71 0.00 0.00 54.79 54.22 3mni n ASP 243 Cb 0.61 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 3mni n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3mni n ASN 244 N -3.02 7.04 -4.36 -2.24 6.94 -1.11 -4.91 115.26 113.61 3mni n ASN 244 Ca -0.23 -3.53 -0.30 0.00 -0.02 0.00 0.00 54.58 50.50 3mni n ASN 244 Cb 0.65 -1.13 -0.14 0.00 -2.36 0.00 0.00 39.78 36.80 3mni n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3mni s TRP 245 N -2.94 2.32 -0.05 -2.53 1.48 -1.26 -4.63 118.94 111.32 3mni s TRP 245 Ca 0.55 -0.40 -0.14 0.00 -1.06 0.00 0.00 56.10 55.05 3mni s TRP 245 Cb 0.41 -1.33 -0.05 0.00 -1.16 0.00 0.00 33.47 31.34 3mni s TRP 245 CO -0.29 0.22 0.36 0.50 -4.06 0.00 0.00 176.95 173.67 3mni s ARG 246 N -1.59 3.94 0.79 3.25 3.52 -1.26 -4.98 118.95 122.62 3mni s ARG 246 Ca 0.13 0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 55.91 3mni s ARG 246 Cb -0.10 -3.27 0.07 0.00 -1.56 0.00 0.00 34.95 30.09 3mni s ARG 246 CO 0.04 0.59 1.10 -2.14 -0.81 0.00 0.00 175.30 174.07 3mni s PRO 247 N -0.68 2.10 0.33 5.12 0.02 -1.26 -4.68 135.00 135.95 3mni s PRO 247 Ca 0.21 1.19 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 3mni s PRO 247 Cb -0.15 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 3mni s PRO 247 CO 0.10 -1.76 1.40 0.00 -0.33 0.00 0.00 177.00 176.41 3mni n ALA 248 N -3.60 1.70 -2.77 -1.55 0.00 -1.26 -4.39 120.51 108.64 3mni n ALA 248 Ca 0.09 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.68 3mni n ALA 248 Cb 0.53 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 3mni n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mni s GLN 249 N -1.53 2.80 0.40 0.00 -1.52 0.26 -4.96 119.66 115.11 3mni s GLN 249 Ca 0.58 -1.14 -0.27 0.00 -1.95 0.00 0.00 55.36 52.58 3mni s GLN 249 Cb -0.55 -2.49 -0.10 0.00 -0.22 0.00 0.00 33.01 29.66 3mni s GLN 249 CO 0.59 0.37 1.44 -2.14 -0.25 0.00 0.00 175.29 175.30 3mni s PRO 250 N -3.83 3.95 0.21 2.91 0.02 -1.26 -4.59 135.00 132.40 3mni s PRO 250 Ca 0.33 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.84 3mni s PRO 250 Cb -0.07 -2.84 0.15 0.00 0.02 0.00 0.00 34.50 31.76 3mni s PRO 250 CO 0.24 -0.62 1.50 1.25 -0.33 0.00 0.00 177.00 179.03 3mni h LEU 251 N 2.74 0.35 0.00 -5.54 5.85 -1.95 -3.44 115.31 113.32 3mni h LEU 251 Ca -0.51 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 57.99 3mni h LEU 251 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3mni h LEU 251 CO 0.63 0.92 0.00 0.29 -0.34 0.00 0.00 178.44 179.94 3mni n LYS 252 N -3.84 0.00 -1.43 1.25 5.02 -1.26 -3.19 118.16 114.71 3mni n LYS 252 Ca -0.03 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 3mni n LYS 252 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.61 3mni n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mni n ASN 253 N 2.79 6.33 -4.20 4.39 4.13 -1.26 -4.91 115.26 122.53 3mni n ASN 253 Ca 0.00 -3.12 -0.20 0.00 1.68 0.00 0.00 54.58 52.94 3mni n ASN 253 Cb 0.00 -1.25 -0.12 0.00 -1.54 0.00 0.00 39.78 36.86 3mni n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3mni s ARG 254 N -1.41 0.93 -0.12 3.52 0.52 -1.19 -5.13 118.95 116.07 3mni s ARG 254 Ca 0.60 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3mni s ARG 254 Cb 0.38 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.82 3mni s ARG 254 CO -0.20 0.23 -0.09 -1.14 0.02 0.00 0.00 175.30 174.12 3mni s GLN 255 N -1.68 3.27 -0.10 3.54 0.74 -1.26 -5.04 119.66 119.12 3mni s GLN 255 Ca 0.01 -0.61 -0.23 0.00 0.05 0.00 0.00 55.36 54.58 3mni s GLN 255 Cb -0.10 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.30 3mni s GLN 255 CO 0.03 0.35 0.71 0.42 -0.55 0.00 0.00 175.29 176.24 3mni s ILE 256 N 0.03 5.02 -0.01 -2.34 1.01 -1.26 -4.73 121.20 118.92 3mni s ILE 256 Ca -0.02 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.05 3mni s ILE 256 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3mni s ILE 256 CO 0.04 0.20 0.07 -0.54 0.00 0.00 0.00 174.94 174.70 3mni s LYS 257 N 1.17 3.04 0.09 2.79 1.02 -0.51 -1.36 119.74 125.98 3mni s LYS 257 Ca 0.36 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.92 3mni s LYS 257 Cb -0.17 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3mni s LYS 257 CO 0.16 0.65 -0.12 0.00 -0.92 0.00 0.00 175.35 175.12 3mni s ALA 258 N -1.18 2.88 -2.26 5.17 0.00 0.62 -0.73 121.76 126.27 3mni s ALA 258 Ca 0.22 -1.24 0.27 0.00 0.00 0.00 0.00 51.96 51.21 3mni s ALA 258 Cb -0.12 -0.86 0.81 0.00 0.00 0.00 0.00 23.12 22.95 3mni s ALA 258 CO 0.13 0.63 1.60 -1.13 0.00 0.00 0.00 175.76 176.99 3mni n SER 259 N 0.85 1.50 -4.19 0.00 3.41 -0.19 -1.78 113.62 113.23 3mni n SER 259 Ca -0.14 -1.33 -0.11 0.00 -0.26 0.00 0.00 58.87 57.02 3mni n SER 259 Cb 0.52 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 3mni n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mni s PHE 260 N -2.20 1.04 0.00 7.33 -0.71 -1.26 -4.91 117.98 117.27 3mni s PHE 260 Ca 0.31 -1.22 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 3mni s PHE 260 Cb 0.20 -0.57 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 3mni s PHE 260 CO 0.41 -0.47 0.42 0.36 -1.34 0.00 0.00 175.22 174.59