#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2htl s ILE 2 N 0.00 3.40 -0.32 2.12 1.01 -1.26 -5.02 121.20 121.13 2htl s ILE 2 Ca 0.00 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.62 2htl s ILE 2 Cb 0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2htl s ILE 2 CO 0.00 0.13 0.21 -0.69 0.00 0.00 0.00 174.94 174.59 2htl s VAL 3 N 0.54 5.16 -0.24 2.92 1.01 -1.26 -4.75 120.40 123.78 2htl s VAL 3 Ca 0.59 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 2htl s VAL 3 Cb -0.35 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2htl s VAL 3 CO 0.34 0.06 0.24 -0.76 0.00 0.00 0.00 175.10 174.98 2htl s LEU 4 N 1.71 4.11 -0.05 3.92 1.43 -1.26 -1.34 118.68 127.20 2htl s LEU 4 Ca 0.06 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 2htl s LEU 4 Cb -0.17 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2htl s LEU 4 CO 0.10 -0.00 -0.22 -0.89 0.23 0.00 0.00 176.35 175.57 2htl s THR 5 N 1.27 1.82 -0.17 5.49 2.01 0.15 -3.83 115.64 122.38 2htl s THR 5 Ca 0.11 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 2htl s THR 5 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2htl s THR 5 CO 0.06 0.51 0.09 -1.10 -0.69 0.00 0.00 174.62 173.49 2htl s GLN 6 N -0.05 3.91 0.00 4.92 -0.21 -1.26 -0.80 119.66 126.17 2htl s GLN 6 Ca -0.05 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.05 2htl s GLN 6 Cb -0.13 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.63 2htl s GLN 6 CO 0.03 0.38 0.00 0.45 -2.12 0.00 0.00 175.29 174.03 2htl n SER 7 N 3.23 0.00 -4.70 5.90 2.88 0.38 -4.25 113.62 117.05 2htl n SER 7 Ca -0.17 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.95 2htl n SER 7 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2htl n SER 7 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2htl s PRO 8 N 0.00 4.44 0.36 -1.46 0.02 -1.26 -4.86 135.00 132.23 2htl s PRO 8 Ca 0.00 1.65 0.07 0.00 0.02 0.00 0.00 61.00 62.75 2htl s PRO 8 Cb 0.00 -3.44 0.67 0.00 0.02 0.00 0.00 34.50 31.75 2htl s PRO 8 CO 0.00 -0.27 1.86 0.00 -0.33 0.00 0.00 177.00 178.27 2htl h ALA 9 N 7.00 1.39 -2.55 -1.55 0.00 -1.83 -3.38 119.26 118.34 2htl h ALA 9 Ca -0.39 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 2htl h ALA 9 Cb 1.20 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.63 2htl h ALA 9 CO 0.82 0.42 -0.26 0.42 0.00 0.00 0.00 179.25 180.65 2htl s ILE 10 N -4.70 -0.04 0.08 0.00 1.01 -1.26 -2.72 121.20 113.56 2htl s ILE 10 Ca -0.06 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2htl s ILE 10 Cb 0.15 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2htl s ILE 10 CO 0.75 0.03 -0.10 0.00 0.00 0.00 0.00 174.94 175.63 2htl s MET 11 N 1.47 0.74 -0.09 2.79 0.23 0.07 -4.90 119.30 119.61 2htl s MET 11 Ca -0.09 -1.02 0.03 0.00 -1.03 0.00 0.00 55.69 53.58 2htl s MET 11 Cb -0.08 -0.46 0.01 0.00 -1.53 0.00 0.00 34.83 32.77 2htl s MET 11 CO -0.14 0.07 -0.18 -1.12 -2.03 0.00 0.00 175.02 171.62 2htl s SER 12 N -2.13 2.49 -0.11 -1.18 0.01 -1.26 0.75 113.70 112.27 2htl s SER 12 Ca 0.00 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 2htl s SER 12 Cb -0.05 -1.14 0.05 0.00 0.21 0.00 0.00 66.02 65.08 2htl s SER 12 CO -0.00 0.09 0.50 0.00 0.41 0.00 0.00 173.24 174.24 2htl s ALA 13 N 0.54 -1.25 0.25 1.44 0.00 -0.91 -4.92 121.76 116.92 2htl s ALA 13 Ca -0.16 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2htl s ALA 13 Cb -0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 2htl s ALA 13 CO 0.06 -0.28 0.98 0.00 0.00 0.00 0.00 175.76 176.51 2htl s ALA 14 N -0.55 3.35 0.53 0.00 0.00 -1.26 -2.31 121.76 121.52 2htl s ALA 14 Ca -0.07 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.35 2htl s ALA 14 Cb -0.03 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2htl s ALA 14 CO 0.04 0.12 1.22 -2.30 0.00 0.00 0.00 175.76 174.85 2htl n PRO 15 N 1.37 1.51 0.00 0.00 -0.02 -1.26 -1.58 135.00 135.02 2htl n PRO 15 Ca -0.02 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2htl n PRO 15 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2htl n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2htl n GLY 16 N 0.93 3.34 3.76 -1.23 0.00 -0.59 -4.92 105.19 106.47 2htl n GLY 16 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2htl n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2htl s ASP 17 N -0.66 5.83 -0.14 1.61 -0.00 -0.62 -4.54 116.67 118.15 2htl s ASP 17 Ca 0.00 2.51 -0.21 0.00 -0.00 0.00 0.00 52.55 54.85 2htl s ASP 17 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 2htl s ASP 17 CO 0.00 -1.16 0.60 -0.75 -0.00 0.00 0.00 175.17 173.85 2htl s LYS 18 N -2.75 4.30 -0.08 8.23 2.20 -1.26 -0.63 119.74 129.75 2htl s LYS 18 Ca 0.66 0.62 0.02 0.00 -0.36 0.00 0.00 55.97 56.91 2htl s LYS 18 Cb -0.34 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 2htl s LYS 18 CO 0.41 -0.05 -0.14 0.08 -0.36 0.00 0.00 175.35 175.29 2htl s VAL 19 N 1.27 1.32 -0.09 4.02 1.01 -0.88 -4.98 120.40 122.06 2htl s VAL 19 Ca 0.30 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2htl s VAL 19 Cb -0.16 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2htl s VAL 19 CO 0.12 0.40 -0.16 -0.89 0.00 0.00 0.00 175.10 174.57 2htl s THR 20 N 0.78 1.49 0.23 3.92 2.01 -1.26 0.06 115.64 122.86 2htl s THR 20 Ca -0.12 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.30 2htl s THR 20 Cb -0.16 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 2htl s THR 20 CO 0.02 0.44 0.06 0.00 -0.69 0.00 0.00 174.62 174.45 2htl s MET 21 N 0.78 2.55 0.04 4.92 0.23 -0.87 -4.95 119.30 122.00 2htl s MET 21 Ca -0.11 -1.20 0.08 0.00 -1.03 0.00 0.00 55.69 53.43 2htl s MET 21 Cb -0.16 -2.36 -0.03 0.00 -1.53 0.00 0.00 34.83 30.76 2htl s MET 21 CO 0.02 0.41 -0.23 0.99 -2.03 0.00 0.00 175.02 174.17 2htl s THR 22 N -2.08 1.86 -0.25 3.16 2.01 -1.26 -2.04 115.64 117.05 2htl s THR 22 Ca 0.31 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 61.08 2htl s THR 22 Cb -0.08 -1.60 0.06 0.00 0.01 0.00 0.00 72.50 70.90 2htl s THR 22 CO 0.21 0.30 -0.07 0.00 -0.69 0.00 0.00 174.62 174.38 2htl s SER 24 N 1.27 5.17 0.10 0.00 0.01 0.02 -0.04 113.70 120.23 2htl s SER 24 Ca -0.06 0.06 0.10 0.00 1.31 0.00 0.00 55.95 57.36 2htl s SER 24 Cb -0.19 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 2htl s SER 24 CO -0.06 0.30 -0.23 0.00 0.41 0.00 0.00 173.24 173.66 2htl s ALA 25 N -0.39 2.49 0.21 1.44 0.00 0.11 0.30 121.76 125.93 2htl s ALA 25 Ca 0.07 -1.36 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 2htl s ALA 25 Cb -0.12 -0.53 0.19 0.00 0.00 0.00 0.00 23.12 22.65 2htl s ALA 25 CO 0.02 0.56 1.86 0.66 0.00 0.00 0.00 175.76 178.86 2htl h SER 26 N 4.07 0.79 0.00 0.00 4.64 -1.53 -3.45 113.55 118.07 2htl h SER 26 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2htl h SER 26 Cb 1.16 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2htl h SER 26 CO 0.43 0.56 0.00 -1.20 -0.87 0.00 0.00 176.83 175.75 2htl n SER 27 N -4.62 0.00 -4.43 4.97 7.64 -1.26 -5.02 113.62 110.90 2htl n SER 27 Ca 0.08 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.59 2htl n SER 27 Cb 0.06 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 2htl n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2htl s SER 28 N 0.52 5.10 0.09 6.43 0.15 -1.26 -4.11 113.70 120.62 2htl s SER 28 Ca 0.00 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.49 2htl s SER 28 Cb 0.00 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 2htl s SER 28 CO 0.00 -0.05 -0.25 0.68 1.20 0.00 0.00 173.24 174.82 2htl s VAL 29 N 1.60 2.30 0.01 4.45 -7.23 -0.57 -4.88 120.40 116.09 2htl s VAL 29 Ca 0.06 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2htl s VAL 29 Cb -0.15 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 2htl s VAL 29 CO 0.03 0.21 -0.06 -0.94 -0.31 0.00 0.00 175.10 174.03 2htl s SER 30 N -1.73 0.64 -0.95 4.85 1.04 -1.26 -3.12 113.70 113.18 2htl s SER 30 Ca 0.14 -0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.25 2htl s SER 30 Cb -0.10 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2htl s SER 30 CO 0.05 -0.03 0.78 -1.22 0.98 0.00 0.00 173.24 173.79 2htl n TYR 31 N 2.46 -2.43 -1.74 5.02 4.02 -1.26 -4.46 117.16 118.76 2htl n TYR 31 Ca -0.16 0.83 -0.21 0.00 -0.01 0.00 0.00 57.90 58.35 2htl n TYR 31 Cb 0.57 -3.77 0.14 0.00 -0.02 0.00 0.00 39.34 36.26 2htl n TYR 31 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2htl n ILE 32 N -2.96 0.00 -4.43 -0.72 -6.64 -1.26 -4.37 119.36 98.98 2htl n ILE 32 Ca -0.08 -0.75 -0.22 0.00 -1.77 0.00 0.00 62.75 59.93 2htl n ILE 32 Cb 0.58 -1.59 -0.09 0.00 -1.44 0.00 0.00 39.64 37.10 2htl n ILE 32 CO 0.00 0.00 0.00 -1.00 -1.77 0.00 0.00 176.55 173.78 2htl s HIS 33 N -3.03 1.74 -0.08 4.28 3.76 0.13 -0.81 115.29 121.28 2htl s HIS 33 Ca 0.54 -1.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.11 2htl s HIS 33 Cb -0.02 -1.06 0.02 0.00 1.11 0.00 0.00 32.58 32.64 2htl s HIS 33 CO 0.38 -0.33 0.23 -1.58 -0.85 0.00 0.00 174.74 172.59 2htl s TRP 34 N -3.40 -0.23 0.07 1.40 0.52 0.72 -2.17 118.94 115.85 2htl s TRP 34 Ca 0.31 0.54 0.09 0.00 0.02 0.00 0.00 56.10 57.07 2htl s TRP 34 Cb 0.05 0.08 -0.03 0.00 -1.15 0.00 0.00 33.47 32.41 2htl s TRP 34 CO 0.16 -0.16 -0.26 0.71 0.02 0.00 0.00 176.95 177.43 2htl s TYR 35 N -0.11 2.23 -0.19 -1.98 1.51 0.24 -0.09 117.35 118.96 2htl s TYR 35 Ca -0.02 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2htl s TYR 35 Cb -0.02 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2htl s TYR 35 CO 0.01 0.17 0.01 -1.14 -1.11 0.00 0.00 175.55 173.48 2htl s GLN 36 N -1.43 3.68 -0.46 -0.62 0.74 -0.08 -1.43 119.66 120.06 2htl s GLN 36 Ca 0.11 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 55.07 2htl s GLN 36 Cb -0.10 -3.09 0.12 0.00 1.10 0.00 0.00 33.01 31.05 2htl s GLN 36 CO 0.03 0.08 0.21 -1.14 -0.55 0.00 0.00 175.29 173.92 2htl s GLN 37 N 0.84 1.70 0.68 1.67 0.74 -0.48 -0.04 119.66 124.77 2htl s GLN 37 Ca 0.01 -2.31 -0.14 0.00 0.05 0.00 0.00 55.36 52.98 2htl s GLN 37 Cb -0.14 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 30.94 2htl s GLN 37 CO 0.02 -1.09 1.09 0.15 -0.55 0.00 0.00 175.29 174.92 2htl s LYS 38 N 0.12 2.73 0.13 1.67 1.02 -1.26 -1.98 119.74 122.17 2htl s LYS 38 Ca 0.16 1.28 -0.35 0.00 0.02 0.00 0.00 55.97 57.08 2htl s LYS 38 Cb -0.24 -1.95 -0.16 0.00 -0.52 0.00 0.00 37.83 34.96 2htl s LYS 38 CO -0.02 -1.29 1.29 0.43 -0.92 0.00 0.00 175.35 174.83 2htl n SER 39 N -2.72 1.65 -3.85 2.83 7.64 -1.26 -2.42 113.62 115.50 2htl n SER 39 Ca 0.10 1.13 -0.27 0.00 1.01 0.00 0.00 58.87 60.83 2htl n SER 39 Cb 0.52 -1.22 0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2htl n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2htl n GLY 40 N 2.36 -0.43 3.13 0.23 0.00 -1.26 -4.99 105.19 104.23 2htl n GLY 40 Ca 0.17 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 2htl n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2htl s THR 41 N -3.42 0.09 0.55 2.61 -1.32 -1.01 -5.16 115.64 107.97 2htl s THR 41 Ca 0.46 -0.74 -0.18 0.00 -1.21 0.00 0.00 61.69 60.02 2htl s THR 41 Cb -0.23 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.14 2htl s THR 41 CO 0.82 -0.40 1.06 -0.44 -2.21 0.00 0.00 174.62 173.45 2htl s SER 42 N -1.55 5.94 0.95 8.08 0.01 -1.26 -4.62 113.70 121.25 2htl s SER 42 Ca -0.12 1.92 -0.11 0.00 1.31 0.00 0.00 55.95 58.94 2htl s SER 42 Cb -0.06 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.78 2htl s SER 42 CO 0.01 -1.06 1.09 -2.84 0.41 0.00 0.00 173.24 170.85 2htl s PRO 43 N -3.66 0.77 -0.11 12.44 0.02 -1.26 -4.79 135.00 138.41 2htl s PRO 43 Ca 0.66 1.07 -0.00 0.00 0.02 0.00 0.00 61.00 62.75 2htl s PRO 43 Cb -0.17 -1.73 0.02 0.00 0.02 0.00 0.00 34.50 32.64 2htl s PRO 43 CO 0.30 -2.65 -0.07 0.15 -0.33 0.00 0.00 177.00 174.40 2htl s LYS 44 N -4.74 1.45 -0.73 5.54 1.02 0.94 -4.91 119.74 118.31 2htl s LYS 44 Ca 0.65 -0.23 -0.31 0.00 0.02 0.00 0.00 55.97 56.10 2htl s LYS 44 Cb -0.21 -1.51 -0.16 0.00 -0.52 0.00 0.00 37.83 35.43 2htl s LYS 44 CO 0.59 -0.25 2.51 -2.13 -0.92 0.00 0.00 175.35 175.15 2htl n ARG 45 N 4.87 0.44 -0.10 1.68 0.63 -1.26 -0.90 116.66 122.02 2htl n ARG 45 Ca -0.13 0.04 -0.14 0.00 -0.92 0.00 0.00 57.85 56.70 2htl n ARG 45 Cb 0.50 -2.17 -0.05 0.00 0.45 0.00 0.00 32.46 31.19 2htl n ARG 45 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2htl n TRP 46 N 11.69 0.38 -5.01 -0.14 -0.00 0.87 -4.60 117.44 120.63 2htl n TRP 46 Ca 0.54 0.16 -0.28 0.00 -0.00 0.00 0.00 57.50 57.92 2htl n TRP 46 Cb 0.20 -0.75 -0.15 0.00 -0.00 0.00 0.00 31.31 30.61 2htl n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2htl s ILE 47 N -2.58 1.73 0.04 5.87 1.09 -0.93 -1.99 121.20 124.42 2htl s ILE 47 Ca -0.27 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.31 2htl s ILE 47 Cb 0.06 -1.44 -0.03 0.00 -1.06 0.00 0.00 42.46 39.99 2htl s ILE 47 CO 0.40 0.44 -0.07 -0.72 -0.10 0.00 0.00 174.94 174.90 2htl s TYR 48 N -0.56 0.62 -1.32 3.97 -0.00 -0.23 -0.20 117.35 119.62 2htl s TYR 48 Ca 0.08 -0.56 -0.04 0.00 -0.00 0.00 0.00 57.07 56.56 2htl s TYR 48 Cb -0.08 -0.38 -0.00 0.00 -0.00 0.00 0.00 41.96 41.50 2htl s TYR 48 CO -0.00 -0.12 0.58 -0.25 -0.00 0.00 0.00 175.55 175.76 2htl n ASP 49 N 1.32 -1.56 0.00 -0.18 8.00 -0.95 -1.10 116.55 122.08 2htl n ASP 49 Ca -0.22 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2htl n ASP 49 Cb 0.55 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 2htl n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2htl n THR 50 N -4.31 0.00 0.00 -3.53 -1.04 0.01 -4.04 114.28 101.37 2htl n THR 50 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2htl n THR 50 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 2htl n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2htl n SER 51 N 0.53 2.08 -4.79 8.00 3.41 -1.19 -2.86 113.62 118.81 2htl n SER 51 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2htl n SER 51 Cb 0.00 0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2htl n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2htl s LYS 52 N -0.84 4.11 -0.12 4.33 1.02 -0.26 -4.50 119.74 123.49 2htl s LYS 52 Ca 0.00 1.48 -0.08 0.00 0.02 0.00 0.00 55.97 57.38 2htl s LYS 52 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2htl s LYS 52 CO 0.00 -0.18 0.18 -0.51 -0.92 0.00 0.00 175.35 173.91 2htl s LEU 53 N -2.78 4.38 0.93 3.17 1.43 -1.26 -1.07 118.68 123.47 2htl s LEU 53 Ca 0.59 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.09 2htl s LEU 53 Cb -0.21 -2.14 0.15 0.00 0.03 0.00 0.00 46.19 44.02 2htl s LEU 53 CO 0.26 0.37 1.12 -0.89 0.23 0.00 0.00 176.35 177.43 2htl s THR 54 N -0.84 2.31 -0.50 5.49 2.01 -0.84 -4.88 115.64 118.39 2htl s THR 54 Ca 0.15 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 2htl s THR 54 Cb -0.12 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2htl s THR 54 CO 0.04 -0.13 1.52 -0.55 -0.69 0.00 0.00 174.62 174.81 2htl s SER 55 N -2.83 6.05 0.00 3.53 0.15 -1.26 -2.79 113.70 116.56 2htl s SER 55 Ca 0.66 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2htl s SER 55 Cb -0.22 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2htl s SER 55 CO 0.59 -1.71 0.00 0.61 1.20 0.00 0.00 173.24 173.92 2htl n GLY 56 N 5.29 1.69 3.55 9.45 0.00 -1.26 -5.10 105.19 118.80 2htl n GLY 56 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2htl n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2htl s VAL 57 N -2.00 4.78 0.50 1.61 1.01 -1.12 -5.07 120.40 120.12 2htl s VAL 57 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 2htl s VAL 57 Cb 0.00 -3.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 2htl s VAL 57 CO 0.00 0.35 0.17 -0.81 0.00 0.00 0.00 175.10 174.81 2htl n PRO 58 N 4.49 0.21 0.00 2.72 -0.04 -1.26 -4.82 135.00 136.31 2htl n PRO 58 Ca -0.16 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 2htl n PRO 58 Cb 0.52 -1.26 0.29 0.00 -0.04 0.00 0.00 33.50 33.01 2htl n PRO 58 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2htl n VAL 59 N -1.44 0.00 0.45 0.52 0.24 -1.26 -2.74 118.33 114.09 2htl n VAL 59 Ca 0.10 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.53 2htl n VAL 59 Cb 0.46 -0.26 0.44 0.00 -1.47 0.00 0.00 33.84 33.00 2htl n VAL 59 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2htl h ARG 60 N 0.00 0.00 -5.89 7.34 0.11 -1.87 -3.44 114.38 110.62 2htl h ARG 60 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2htl h ARG 60 Cb 0.00 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.01 2htl h ARG 60 CO 0.00 0.00 -0.11 -0.06 0.10 0.00 0.00 179.97 179.90 2htl s PHE 61 N -3.27 3.60 0.24 4.08 0.40 -1.11 -0.36 117.98 121.58 2htl s PHE 61 Ca 0.07 1.01 0.01 0.00 -0.60 0.00 0.00 56.93 57.41 2htl s PHE 61 Cb 0.10 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 2htl s PHE 61 CO 0.53 0.31 0.10 -1.54 0.70 0.00 0.00 175.22 175.32 2htl s SER 62 N 0.08 0.94 -0.26 1.36 1.04 0.62 -4.98 113.70 112.51 2htl s SER 62 Ca 0.27 -1.38 -0.24 0.00 0.48 0.00 0.00 55.95 55.08 2htl s SER 62 Cb -0.16 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.24 2htl s SER 62 CO 0.13 -0.76 0.69 -0.83 0.98 0.00 0.00 173.24 173.45 2htl s GLY 63 N -3.28 -0.52 0.26 7.32 0.00 -1.26 -0.91 107.32 108.94 2htl s GLY 63 Ca 0.38 1.95 -0.08 0.00 0.00 0.00 0.00 44.72 46.97 2htl s GLY 63 CO 0.13 1.68 0.48 -1.14 0.00 0.00 0.00 173.10 174.26 2htl n SER 64 N 2.73 -1.39 0.00 1.64 3.41 -1.10 -3.86 113.62 115.05 2htl n SER 64 Ca -0.14 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 2htl n SER 64 Cb 0.55 2.37 0.00 0.00 -0.26 0.00 0.00 64.21 66.88 2htl n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2htl n GLY 65 N -0.38 2.32 3.41 5.00 0.00 -1.26 -1.36 105.19 112.91 2htl n GLY 65 Ca -0.04 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 2htl n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2htl s SER 66 N 0.00 -0.41 0.67 1.61 1.04 -0.96 -4.94 113.70 110.71 2htl s SER 66 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2htl s SER 66 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2htl s SER 66 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2htl n GLY 67 N -0.33 1.61 0.10 7.32 0.00 -1.18 -3.20 105.19 109.50 2htl n GLY 67 Ca -0.16 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2htl n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2htl n THR 68 N 0.00 1.58 -4.92 2.61 -2.24 -1.26 -1.51 114.28 108.54 2htl n THR 68 Ca 0.00 -0.77 -0.33 0.00 -2.27 0.00 0.00 64.05 60.68 2htl n THR 68 Cb 0.00 -1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 67.04 2htl n THR 68 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2htl s SER 69 N -6.13 3.79 0.08 3.42 1.04 -1.20 0.04 113.70 114.73 2htl s SER 69 Ca -0.11 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.00 2htl s SER 69 Cb 0.07 -1.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.85 2htl s SER 69 CO 0.80 0.22 -0.08 -0.31 0.98 0.00 0.00 173.24 174.85 2htl s TYR 70 N 0.03 0.86 0.18 5.02 1.51 0.94 -2.27 117.35 123.63 2htl s TYR 70 Ca -0.06 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.32 2htl s TYR 70 Cb -0.15 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2htl s TYR 70 CO 0.05 -0.08 0.05 -1.54 -1.11 0.00 0.00 175.55 172.92 2htl s SER 71 N -2.33 0.78 -0.03 2.29 1.04 -0.47 0.92 113.70 115.91 2htl s SER 71 Ca 0.02 -1.25 -0.01 0.00 0.48 0.00 0.00 55.95 55.20 2htl s SER 71 Cb -0.03 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.34 2htl s SER 71 CO -0.01 -0.68 0.03 -0.22 0.98 0.00 0.00 173.24 173.33 2htl s LEU 72 N -3.16 0.82 -0.06 2.42 0.20 -0.86 -2.71 118.68 115.33 2htl s LEU 72 Ca 0.28 0.03 0.05 0.00 0.69 0.00 0.00 54.13 55.19 2htl s LEU 72 Cb 0.07 -0.14 -0.01 0.00 -0.43 0.00 0.00 46.19 45.68 2htl s LEU 72 CO 0.06 -0.16 -0.23 -0.89 -0.29 0.00 0.00 176.35 174.84 2htl s THR 73 N 1.40 2.19 -0.54 3.68 2.01 -0.08 -2.05 115.64 122.25 2htl s THR 73 Ca -0.05 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 2htl s THR 73 Cb -0.13 -1.81 0.14 0.00 0.01 0.00 0.00 72.50 70.71 2htl s THR 73 CO -0.03 0.57 0.42 -0.63 -0.69 0.00 0.00 174.62 174.25 2htl s ILE 74 N -0.13 4.31 -0.49 1.82 1.01 0.11 -0.28 121.20 127.55 2htl s ILE 74 Ca -0.04 -2.07 -0.29 0.00 0.00 0.00 0.00 60.65 58.25 2htl s ILE 74 Cb -0.14 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.55 2htl s ILE 74 CO 0.04 -0.83 1.14 0.21 0.00 0.00 0.00 174.94 175.51 2htl s ASN 75 N 2.29 6.62 -0.25 3.58 2.47 0.52 -2.08 114.94 128.08 2htl s ASN 75 Ca 0.09 0.44 -0.04 0.00 0.42 0.00 0.00 52.86 53.77 2htl s ASN 75 Cb -0.23 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.03 2htl s ASN 75 CO -0.02 -1.27 0.09 0.41 -3.72 0.00 0.00 177.10 172.58 2htl n THR 76 N 6.85-11.82 -2.15 -5.21 -1.04 -1.23 -4.77 114.28 94.91 2htl n THR 76 Ca 0.12 2.10 -0.37 0.00 -2.04 0.00 0.00 64.05 63.86 2htl n THR 76 Cb 0.49 -6.59 0.01 0.00 -1.82 0.00 0.00 70.33 62.41 2htl n THR 76 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2htl s MET 77 N -1.26 3.49 0.18 -2.82 1.75 0.20 -4.74 119.30 116.10 2htl s MET 77 Ca -0.10 1.82 0.08 0.00 -1.25 0.00 0.00 55.69 56.24 2htl s MET 77 Cb 0.01 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.38 2htl s MET 77 CO 0.75 -0.79 -0.04 -1.21 -0.65 0.00 0.00 175.02 173.09 2htl s GLU 78 N -2.91 2.27 0.49 4.11 0.41 -1.26 -1.54 118.70 120.27 2htl s GLU 78 Ca 0.68 -1.18 0.25 0.00 -0.41 0.00 0.00 54.97 54.31 2htl s GLU 78 Cb -0.30 -2.28 1.27 0.00 -1.78 0.00 0.00 34.13 31.04 2htl s GLU 78 CO 0.35 0.45 2.00 0.00 -0.49 0.00 0.00 175.26 177.57 2htl h ALA 79 N 2.77 1.28 0.00 5.21 0.00 -1.95 -0.64 119.26 125.94 2htl h ALA 79 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2htl h ALA 79 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2htl h ALA 79 CO 0.57 0.21 0.00 -0.85 0.00 0.00 0.00 179.25 179.17 2htl n GLU 80 N -3.69 0.68 -0.09 0.00 0.28 -1.23 -3.26 120.64 113.33 2htl n GLU 80 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.09 2htl n GLU 80 Cb 0.28 -1.34 0.35 0.00 1.43 0.00 0.00 31.44 32.16 2htl n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2htl n ASP 81 N -0.84 1.96 -4.56 -1.84 10.43 -0.25 -4.87 116.55 116.58 2htl n ASP 81 Ca 0.11 -1.75 -0.39 0.00 2.57 0.00 0.00 54.79 55.33 2htl n ASP 81 Cb 0.05 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 42.86 2htl n ASP 81 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2htl s ALA 82 N -1.76 2.21 0.21 2.24 0.00 -1.20 -4.89 121.76 118.57 2htl s ALA 82 Ca 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2htl s ALA 82 Cb 0.18 -4.25 0.01 0.00 0.00 0.00 0.00 23.12 19.06 2htl s ALA 82 CO 0.27 -3.73 0.30 0.00 0.00 0.00 0.00 175.76 172.60 2htl n ALA 83 N 12.95 -0.29 -2.89 0.00 0.00 -1.24 -4.60 120.51 124.44 2htl n ALA 83 Ca 0.25 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.42 2htl n ALA 83 Cb 0.51 0.75 -0.11 0.00 0.00 0.00 0.00 19.45 20.60 2htl n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2htl s THR 84 N -2.64 4.40 -0.17 0.00 2.01 -0.84 -0.50 115.64 117.90 2htl s THR 84 Ca 0.16 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 2htl s THR 84 Cb -0.01 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2htl s THR 84 CO 0.12 0.46 0.04 -0.31 -0.69 0.00 0.00 174.62 174.24 2htl s TYR 85 N 0.46 3.20 -0.11 4.92 1.51 0.12 -1.38 117.35 126.07 2htl s TYR 85 Ca 0.00 0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2htl s TYR 85 Cb -0.13 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2htl s TYR 85 CO 0.02 0.16 -0.08 0.71 -1.11 0.00 0.00 175.55 175.24 2htl s TYR 86 N 0.21 2.91 0.14 2.71 4.12 -0.51 -2.08 117.35 124.85 2htl s TYR 86 Ca 0.03 -0.29 -0.05 0.00 0.02 0.00 0.00 57.07 56.78 2htl s TYR 86 Cb -0.13 -1.83 -0.06 0.00 -1.52 0.00 0.00 41.96 38.43 2htl s TYR 86 CO 0.01 0.04 0.37 0.00 0.02 0.00 0.00 175.55 175.99 2htl s GLN 88 N -2.61 0.40 0.30 0.00 -0.44 -0.92 0.20 119.66 116.57 2htl s GLN 88 Ca 0.40 0.58 0.10 0.00 -2.50 0.00 0.00 55.36 53.94 2htl s GLN 88 Cb -0.12 0.11 -0.05 0.00 -1.64 0.00 0.00 33.01 31.31 2htl s GLN 88 CO 0.24 -0.09 -0.02 1.14 0.50 0.00 0.00 175.29 177.06 2htl s GLN 89 N 0.62 2.13 -0.03 1.67 1.03 -0.83 0.18 119.66 124.44 2htl s GLN 89 Ca -0.03 -1.59 0.01 0.00 0.04 0.00 0.00 55.36 53.79 2htl s GLN 89 Cb -0.05 -2.03 0.03 0.00 0.03 0.00 0.00 33.01 31.00 2htl s GLN 89 CO -0.04 0.26 1.00 1.87 -2.54 0.00 0.00 175.29 175.85 2htl n TRP 90 N -0.89 -0.16 0.14 9.60 -0.00 -1.26 -2.29 117.44 122.58 2htl n TRP 90 Ca -0.05 -0.57 -0.01 0.00 -0.00 0.00 0.00 57.50 56.87 2htl n TRP 90 Cb 0.60 0.57 0.16 0.00 -0.00 0.00 0.00 31.31 32.65 2htl n TRP 90 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2htl h SER 91 N 0.08 0.00 -3.27 5.87 4.64 -1.89 -3.43 113.55 115.55 2htl h SER 91 Ca -0.54 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.27 2htl h SER 91 Cb 1.37 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.10 2htl h SER 91 CO -0.27 0.62 -0.80 -0.44 -0.87 0.00 0.00 176.83 175.06 2htl s SER 92 N -6.79 1.98 0.58 4.97 0.01 -1.26 -4.96 113.70 108.23 2htl s SER 92 Ca -0.01 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 56.76 2htl s SER 92 Cb 0.12 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 2htl s SER 92 CO 0.76 -0.07 1.28 -2.28 0.41 0.00 0.00 173.24 173.34 2htl s HIS 93 N 1.35 2.29 0.54 2.43 2.46 -1.26 -3.94 115.29 119.17 2htl s HIS 93 Ca -0.02 1.46 -0.14 0.00 0.47 0.00 0.00 55.06 56.83 2htl s HIS 93 Cb -0.14 -3.65 -0.06 0.00 -0.13 0.00 0.00 32.58 28.60 2htl s HIS 93 CO -0.04 -2.61 0.98 -1.25 -2.47 0.00 0.00 174.74 169.35 2htl s PRO 94 N -3.15 3.81 0.60 2.88 0.04 -1.26 -4.65 135.00 133.26 2htl s PRO 94 Ca 0.76 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 2htl s PRO 94 Cb -0.36 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 2htl s PRO 94 CO 0.40 -0.36 0.98 0.00 0.04 0.00 0.00 177.00 178.06 2htl n GLN 95 N -1.99 0.90 -3.79 4.56 0.00 -1.25 -4.63 117.38 111.18 2htl n GLN 95 Ca 0.06 0.35 -0.13 0.00 0.00 0.00 0.00 57.00 57.28 2htl n GLN 95 Cb 0.54 -2.18 -0.14 0.00 0.00 0.00 0.00 30.24 28.46 2htl n GLN 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2htl s THR 96 N -1.51 -0.03 0.64 -0.39 -4.23 -0.97 -5.00 115.64 104.16 2htl s THR 96 Ca 0.76 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 61.31 2htl s THR 96 Cb -0.42 -0.20 0.04 0.00 1.34 0.00 0.00 72.50 73.26 2htl s THR 96 CO 0.47 0.04 0.94 -0.36 -0.54 0.00 0.00 174.62 175.16 2htl s PHE 97 N 0.63 3.03 0.81 3.99 0.08 -1.26 -1.96 117.98 123.30 2htl s PHE 97 Ca -0.05 0.45 -0.06 0.00 0.12 0.00 0.00 56.93 57.39 2htl s PHE 97 Cb -0.06 -2.96 0.16 0.00 -0.57 0.00 0.00 43.02 39.58 2htl s PHE 97 CO -0.03 -1.12 1.12 0.20 -0.10 0.00 0.00 175.22 175.29 2htl s GLY 98 N -4.43 1.77 0.32 4.36 0.00 0.52 -4.40 107.32 105.46 2htl s GLY 98 Ca 0.57 -1.60 0.18 0.00 0.00 0.00 0.00 44.72 43.87 2htl s GLY 98 CO 0.44 -0.94 1.45 -1.33 0.00 0.00 0.00 173.10 172.71 2htl h GLY 99 N -0.94 0.00 -0.09 0.20 0.00 -1.88 -3.45 103.07 96.91 2htl h GLY 99 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2htl h GLY 99 CO 0.38 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.53 2htl n GLY 100 N 1.19 0.87 3.71 4.60 0.00 -1.26 -5.01 105.19 109.29 2htl n GLY 100 Ca 0.02 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2htl n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2htl s THR 101 N 0.00 5.19 -0.35 2.61 2.01 -0.88 -4.66 115.64 119.56 2htl s THR 101 Ca 0.00 0.91 -0.05 0.00 0.31 0.00 0.00 61.69 62.86 2htl s THR 101 Cb 0.00 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 68.76 2htl s THR 101 CO 0.00 0.31 0.12 -0.75 -0.69 0.00 0.00 174.62 173.60 2htl s LYS 102 N 0.78 2.48 -0.16 4.92 2.20 -1.10 0.16 119.74 129.02 2htl s LYS 102 Ca 0.25 -1.34 -0.26 0.00 -0.36 0.00 0.00 55.97 54.26 2htl s LYS 102 Cb -0.15 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2htl s LYS 102 CO 0.10 -0.76 0.85 -1.17 -0.36 0.00 0.00 175.35 174.01 2htl s LEU 103 N 1.33 4.19 0.08 5.43 2.96 0.34 -0.75 118.68 132.26 2htl s LEU 103 Ca -0.00 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.18 2htl s LEU 103 Cb -0.21 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 2htl s LEU 103 CO 0.01 -0.40 -0.04 -1.61 -1.32 0.00 0.00 176.35 172.99 2htl s GLU 104 N 2.09 2.42 -0.17 1.98 2.02 0.23 -3.66 118.70 123.60 2htl s GLU 104 Ca 0.39 -0.88 -0.07 0.00 0.02 0.00 0.00 54.97 54.44 2htl s GLU 104 Cb -0.17 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 2htl s GLU 104 CO 0.13 0.54 0.08 0.42 0.02 0.00 0.00 175.26 176.45 2htl s ILE 105 N -1.23 4.97 -0.43 -1.63 1.01 -1.26 -2.13 121.20 120.50 2htl s ILE 105 Ca 0.23 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 2htl s ILE 105 Cb -0.11 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.16 2htl s ILE 105 CO 0.15 0.49 0.65 -0.76 0.00 0.00 0.00 174.94 175.47 2htl s LEU 106 N 0.08 4.44 0.51 2.97 1.43 -0.98 -4.87 118.68 122.26 2htl s LEU 106 Ca 0.06 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2htl s LEU 106 Cb -0.12 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.34 2htl s LEU 106 CO 0.00 -0.76 0.15 0.00 0.23 0.00 0.00 176.35 175.97 2htl s ARG 107 N 2.84 2.21 1.16 1.70 1.70 -1.26 -4.16 118.95 123.14 2htl s ARG 107 Ca 0.23 -2.21 -0.18 0.00 -0.47 0.00 0.00 55.73 53.11 2htl s ARG 107 Cb -0.14 -1.77 0.27 0.00 -0.57 0.00 0.00 34.95 32.74 2htl s ARG 107 CO 0.19 -0.40 1.13 0.00 -1.08 0.00 0.00 175.30 175.13 2htl s ALA 108 N -2.81 0.80 0.68 7.88 0.00 -1.26 -4.95 121.76 122.10 2htl s ALA 108 Ca 0.20 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 2htl s ALA 108 Cb 0.01 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.24 2htl s ALA 108 CO 0.12 -3.41 1.28 -0.51 0.00 0.00 0.00 175.76 173.24 2htl s ASP 109 N -3.96 4.39 -0.36 0.00 1.01 -1.26 -4.77 116.67 111.73 2htl s ASP 109 Ca 0.71 2.58 0.06 0.00 0.71 0.00 0.00 52.55 56.61 2htl s ASP 109 Cb -0.10 -2.61 0.18 0.00 1.01 0.00 0.00 42.92 41.40 2htl s ASP 109 CO 0.56 -2.14 0.56 0.00 0.21 0.00 0.00 175.17 174.36 2htl s ALA 110 N -1.53 -2.01 0.31 5.23 0.00 -0.04 -4.86 121.76 118.85 2htl s ALA 110 Ca 0.81 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 2htl s ALA 110 Cb -0.36 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 2htl s ALA 110 CO 0.42 -2.05 1.26 0.00 0.00 0.00 0.00 175.76 175.39 2htl s ALA 111 N 2.15 3.48 0.16 0.00 0.00 -1.26 -0.18 121.76 126.11 2htl s ALA 111 Ca 0.14 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 2htl s ALA 111 Cb -0.08 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 2htl s ALA 111 CO -0.15 -0.53 1.09 -1.25 0.00 0.00 0.00 175.76 174.93 2htl s PRO 112 N -1.62 4.59 -0.51 0.00 0.04 -1.26 -4.70 135.00 131.55 2htl s PRO 112 Ca 0.48 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 2htl s PRO 112 Cb -0.38 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 30.91 2htl s PRO 112 CO 0.49 0.07 0.78 0.99 0.04 0.00 0.00 177.00 179.37 2htl s THR 113 N -0.14 4.64 0.07 1.26 2.01 -0.45 -4.88 115.64 118.16 2htl s THR 113 Ca 0.50 -0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.28 2htl s THR 113 Cb -0.29 -4.39 -0.07 0.00 0.01 0.00 0.00 72.50 67.76 2htl s THR 113 CO 0.34 -0.91 0.61 -0.69 -0.69 0.00 0.00 174.62 173.29 2htl s VAL 114 N 3.28 4.71 -0.07 3.82 1.01 -1.26 -2.38 120.40 129.51 2htl s VAL 114 Ca 0.24 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 2htl s VAL 114 Cb -0.15 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.32 2htl s VAL 114 CO 0.17 0.52 0.14 -0.44 0.00 0.00 0.00 175.10 175.49 2htl s SER 115 N -0.93 0.26 -0.06 3.32 0.01 -0.27 -5.00 113.70 111.04 2htl s SER 115 Ca 0.31 0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 2htl s SER 115 Cb -0.20 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2htl s SER 115 CO 0.20 -0.19 0.03 -0.51 0.41 0.00 0.00 173.24 173.18 2htl s ILE 116 N 1.62 4.44 -0.07 1.44 -1.16 -1.26 -0.53 121.20 125.67 2htl s ILE 116 Ca -0.04 -0.32 -0.00 0.00 -0.51 0.00 0.00 60.65 59.78 2htl s ILE 116 Cb -0.12 -2.92 0.02 0.00 0.61 0.00 0.00 42.46 40.05 2htl s ILE 116 CO -0.06 0.51 -0.03 -0.36 -2.81 0.00 0.00 174.94 172.19 2htl s PHE 117 N -0.99 0.84 0.41 3.50 0.40 0.15 -4.98 117.98 117.30 2htl s PHE 117 Ca 0.16 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.97 2htl s PHE 117 Cb -0.12 -0.82 -0.08 0.00 0.51 0.00 0.00 43.02 42.51 2htl s PHE 117 CO 0.06 -0.30 1.12 -2.14 0.70 0.00 0.00 175.22 174.66 2htl s PRO 118 N 1.50 4.05 -0.00 0.24 0.02 -1.26 -1.93 135.00 137.62 2htl s PRO 118 Ca -0.02 1.70 -0.36 0.00 0.02 0.00 0.00 61.00 62.34 2htl s PRO 118 Cb -0.13 -2.59 -0.15 0.00 0.02 0.00 0.00 34.50 31.65 2htl s PRO 118 CO -0.03 -0.28 1.56 -2.30 -0.33 0.00 0.00 177.00 175.62 2htl n PRO 119 N -0.06 1.52 -0.73 5.54 -0.02 -1.24 -4.89 135.00 135.12 2htl n PRO 119 Ca 0.05 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 2htl n PRO 119 Cb 0.48 -2.26 0.17 0.00 -0.02 0.00 0.00 33.50 31.87 2htl n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2htl s SER 120 N 1.78 2.86 0.25 2.55 1.04 -1.26 -4.91 113.70 116.01 2htl s SER 120 Ca 0.87 2.10 -0.01 0.00 0.48 0.00 0.00 55.95 59.40 2htl s SER 120 Cb -0.88 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.02 2htl s SER 120 CO 0.50 -3.13 1.70 0.77 0.98 0.00 0.00 173.24 174.06 2htl h SER 121 N -1.89 0.64 0.78 7.02 4.64 -2.01 -2.98 113.55 119.76 2htl h SER 121 Ca -0.45 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.54 2htl h SER 121 Cb 1.27 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2htl h SER 121 CO 0.43 0.84 -0.60 -0.33 -0.87 0.00 0.00 176.83 176.30 2htl h GLU 122 N 0.57 0.00 0.00 4.77 3.07 -1.99 -2.84 114.58 118.16 2htl h GLU 122 Ca 0.09 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 2htl h GLU 122 Cb 0.65 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2htl h GLU 122 CO 0.05 0.60 -0.22 0.37 -1.40 0.00 0.00 179.01 178.40 2htl h GLN 123 N 0.00 0.00 0.00 2.33 4.15 -1.89 -2.11 115.11 117.60 2htl h GLN 123 Ca -0.01 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 2htl h GLN 123 Cb 1.15 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 2htl h GLN 123 CO 0.08 0.22 -0.72 -0.07 -1.93 0.00 0.00 178.83 176.41 2htl h LEU 124 N 0.00 0.00 0.00 -2.39 3.38 -1.38 -2.43 115.31 112.49 2htl h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2htl h LEU 124 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2htl h LEU 124 CO 0.03 0.72 0.00 0.41 0.09 0.00 0.00 178.44 179.69 2htl n THR 125 N -3.61 0.00 -1.00 0.22 -1.04 -0.79 -2.10 114.28 105.96 2htl n THR 125 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2htl n THR 125 Cb 0.72 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 2htl n THR 125 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2htl n SER 126 N -0.59 0.20 0.00 8.00 7.64 -1.08 -5.02 113.62 122.77 2htl n SER 126 Ca 0.02 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2htl n SER 126 Cb 0.01 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2htl n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2htl n GLY 127 N -0.06 0.26 3.90 0.23 0.00 -0.89 -4.99 105.19 103.63 2htl n GLY 127 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2htl n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2htl s GLY 128 N -2.00 1.58 -0.44 -0.02 0.00 -0.94 -0.36 107.32 105.15 2htl s GLY 128 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.34 2htl s GLY 128 CO 0.00 -0.21 0.74 0.00 0.00 0.00 0.00 173.10 173.63 2htl n ALA 129 N -2.56 0.33 -2.58 3.20 0.00 -0.64 -4.21 120.51 114.06 2htl n ALA 129 Ca 0.04 -2.31 -0.43 0.00 0.00 0.00 0.00 53.44 50.74 2htl n ALA 129 Cb 0.56 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 2htl n ALA 129 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2htl s SER 130 N -1.49 6.35 -0.18 0.00 0.01 -1.26 -1.93 113.70 115.20 2htl s SER 130 Ca 0.33 -0.33 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 2htl s SER 130 Cb 0.21 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2htl s SER 130 CO -0.18 -0.91 0.51 -0.69 0.41 0.00 0.00 173.24 172.39 2htl s VAL 131 N 3.13 5.12 0.01 3.43 1.01 0.11 -3.74 120.40 129.48 2htl s VAL 131 Ca 0.25 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2htl s VAL 131 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2htl s VAL 131 CO 0.20 0.21 -0.03 -0.69 0.00 0.00 0.00 175.10 174.79 2htl s VAL 132 N 1.38 3.90 -0.15 2.92 1.01 -0.81 -1.24 120.40 127.41 2htl s VAL 132 Ca 0.25 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2htl s VAL 132 Cb -0.15 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 33.57 2htl s VAL 132 CO 0.10 0.37 0.21 0.00 0.00 0.00 0.00 175.10 175.78 2htl s PHE 134 N 2.34 3.53 -0.36 0.00 0.08 0.31 -0.98 117.98 122.90 2htl s PHE 134 Ca 0.04 0.94 -0.02 0.00 0.12 0.00 0.00 56.93 58.02 2htl s PHE 134 Cb -0.14 -2.58 0.09 0.00 -0.57 0.00 0.00 43.02 39.82 2htl s PHE 134 CO -0.09 0.17 0.12 -0.51 -0.10 0.00 0.00 175.22 174.80 2htl s LEU 135 N 0.60 4.70 0.01 -0.37 1.43 0.24 -1.12 118.68 124.17 2htl s LEU 135 Ca 0.28 -1.74 0.03 0.00 -1.03 0.00 0.00 54.13 51.66 2htl s LEU 135 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2htl s LEU 135 CO 0.11 -0.42 -0.03 0.20 0.23 0.00 0.00 176.35 176.44 2htl s ASN 136 N 1.53 4.88 -0.73 2.29 0.02 -1.00 0.96 114.94 122.88 2htl s ASN 136 Ca 0.03 -0.09 -0.01 0.00 -1.02 0.00 0.00 52.86 51.77 2htl s ASN 136 Cb -0.21 -1.20 0.00 0.00 0.02 0.00 0.00 41.25 39.86 2htl s ASN 136 CO -0.03 0.27 0.68 0.59 0.02 0.00 0.00 177.10 178.63 2htl n ASN 137 N 1.40 -7.26 -4.16 -1.22 3.02 -0.60 -1.34 115.26 105.10 2htl n ASN 137 Ca -0.15 -0.20 -0.23 0.00 -0.03 0.00 0.00 54.58 53.98 2htl n ASN 137 Cb 0.53 -4.62 -0.14 0.00 -0.61 0.00 0.00 39.78 34.93 2htl n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2htl s PHE 138 N -2.96 1.43 -0.02 3.10 -0.12 -0.20 -4.16 117.98 115.05 2htl s PHE 138 Ca 0.02 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 2htl s PHE 138 Cb -0.00 -0.88 0.02 0.00 -0.63 0.00 0.00 43.02 41.53 2htl s PHE 138 CO 0.78 0.02 0.00 -0.47 -0.05 0.00 0.00 175.22 175.50 2htl s TYR 139 N -0.64 0.18 1.12 3.49 6.14 0.74 -1.49 117.35 126.89 2htl s TYR 139 Ca 0.05 0.02 -0.19 0.00 0.64 0.00 0.00 57.07 57.59 2htl s TYR 139 Cb -0.07 -0.25 0.27 0.00 0.42 0.00 0.00 41.96 42.33 2htl s TYR 139 CO 0.01 -0.07 1.18 -2.30 0.64 0.00 0.00 175.55 175.00 2htl n PRO 140 N 3.73 -2.39 0.00 4.97 -0.02 -1.26 -0.87 135.00 139.16 2htl n PRO 140 Ca -0.22 -1.86 0.13 0.00 -2.02 0.00 0.00 63.50 59.53 2htl n PRO 140 Cb 0.54 -1.52 0.57 0.00 -0.02 0.00 0.00 33.50 33.07 2htl n PRO 140 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2htl n LYS 141 N -4.41 0.01 -2.58 -0.52 2.85 -1.26 -4.72 118.16 107.53 2htl n LYS 141 Ca 0.16 0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 57.03 2htl n LYS 141 Cb 0.58 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.44 2htl n LYS 141 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2htl s ASP 142 N -2.99 6.70 0.08 -5.58 1.01 -1.26 -5.01 116.67 109.61 2htl s ASP 142 Ca 0.13 0.72 0.02 0.00 0.71 0.00 0.00 52.55 54.12 2htl s ASP 142 Cb 0.17 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2htl s ASP 142 CO 0.48 -1.15 -0.06 -0.51 0.21 0.00 0.00 175.17 174.14 2htl s ILE 143 N 4.29 0.59 -0.17 0.77 -1.16 -1.26 -4.53 121.20 119.72 2htl s ILE 143 Ca 0.49 -1.68 -0.02 0.00 -0.51 0.00 0.00 60.65 58.93 2htl s ILE 143 Cb -0.10 -1.35 0.05 0.00 0.61 0.00 0.00 42.46 41.67 2htl s ILE 143 CO 0.26 -0.75 0.01 0.20 -2.81 0.00 0.00 174.94 171.85 2htl s ASN 144 N -2.61 2.76 0.30 4.50 0.01 -1.11 -5.01 114.94 113.77 2htl s ASN 144 Ca 0.05 -0.71 -0.17 0.00 -0.71 0.00 0.00 52.86 51.31 2htl s ASN 144 Cb 0.01 -0.65 -0.09 0.00 0.41 0.00 0.00 41.25 40.93 2htl s ASN 144 CO -0.04 -0.27 0.76 0.54 -1.51 0.00 0.00 177.10 176.58 2htl s VAL 145 N 1.82 4.60 -0.19 1.60 0.11 -1.26 -2.63 120.40 124.45 2htl s VAL 145 Ca -0.00 1.13 -0.08 0.00 -2.93 0.00 0.00 61.98 60.11 2htl s VAL 145 Cb -0.16 -3.70 0.08 0.00 -1.53 0.00 0.00 36.38 31.07 2htl s VAL 145 CO -0.07 -0.06 0.41 -0.75 -3.33 0.00 0.00 175.10 171.30 2htl s LYS 146 N -2.65 0.34 -0.15 1.54 2.20 0.01 -4.99 119.74 116.04 2htl s LYS 146 Ca 0.51 0.96 -0.04 0.00 -0.36 0.00 0.00 55.97 57.04 2htl s LYS 146 Cb -0.12 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2htl s LYS 146 CO 0.18 -0.22 -0.00 -1.58 -0.36 0.00 0.00 175.35 173.37 2htl s TRP 147 N 2.25 3.11 -0.52 4.03 0.52 -1.26 -0.20 118.94 126.87 2htl s TRP 147 Ca -0.04 -0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.02 2htl s TRP 147 Cb -0.11 -1.95 0.15 0.00 -1.15 0.00 0.00 33.47 30.41 2htl s TRP 147 CO -0.13 0.12 0.32 0.15 0.02 0.00 0.00 176.95 177.44 2htl s LYS 148 N 0.10 1.66 -0.29 4.98 1.02 -1.11 0.20 119.74 126.30 2htl s LYS 148 Ca 0.01 -2.48 -0.29 0.00 0.02 0.00 0.00 55.97 53.24 2htl s LYS 148 Cb -0.13 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2htl s LYS 148 CO 0.02 -1.22 1.41 0.42 -0.92 0.00 0.00 175.35 175.06 2htl s ILE 149 N -0.27 3.98 -1.35 2.17 1.01 -0.09 -2.45 121.20 124.19 2htl s ILE 149 Ca 0.22 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 61.93 2htl s ILE 149 Cb -0.15 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.30 2htl s ILE 149 CO -0.07 -0.46 0.80 0.47 0.00 0.00 0.00 174.94 175.67 2htl n ASP 150 N 8.04 -2.17 0.00 3.58 10.43 0.58 -2.04 116.55 134.97 2htl n ASP 150 Ca 0.16 -0.78 0.00 0.00 2.57 0.00 0.00 54.79 56.74 2htl n ASP 150 Cb 0.46 -4.15 0.00 0.00 1.84 0.00 0.00 41.12 39.28 2htl n ASP 150 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2htl n GLY 151 N -1.58 1.55 3.72 0.44 0.00 -1.20 -4.95 105.19 103.17 2htl n GLY 151 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2htl n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2htl s SER 152 N 0.00 6.99 0.24 1.61 0.15 -0.87 -4.84 113.70 116.98 2htl s SER 152 Ca 0.00 2.14 -0.30 0.00 0.70 0.00 0.00 55.95 58.49 2htl s SER 152 Cb 0.00 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 2htl s SER 152 CO 0.00 -0.53 1.35 -0.70 1.20 0.00 0.00 173.24 174.56 2htl s GLU 153 N 1.00 4.35 0.09 5.44 2.12 -1.26 -0.92 118.70 129.52 2htl s GLU 153 Ca 0.60 2.16 0.09 0.00 0.36 0.00 0.00 54.97 58.19 2htl s GLU 153 Cb -0.32 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2htl s GLU 153 CO 0.30 -0.28 -0.24 0.50 -0.54 0.00 0.00 175.26 175.00 2htl s ARG 154 N -0.55 1.70 0.00 4.30 6.06 0.13 -4.87 118.95 125.72 2htl s ARG 154 Ca 0.56 -1.19 0.00 0.00 -2.50 0.00 0.00 55.73 52.60 2htl s ARG 154 Cb -0.39 -2.01 0.00 0.00 0.06 0.00 0.00 34.95 32.61 2htl s ARG 154 CO 0.43 0.49 0.68 1.04 -2.50 0.00 0.00 175.30 175.43 2htl n GLN 155 N 1.23 0.00 -3.80 5.12 6.02 -1.26 -4.11 117.38 120.58 2htl n GLN 155 Ca -0.17 -0.41 -0.37 0.00 -0.01 0.00 0.00 57.00 56.04 2htl n GLN 155 Cb 0.52 -0.21 -0.13 0.00 1.02 0.00 0.00 30.24 31.44 2htl n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2htl s ASN 156 N -0.40 5.04 0.00 1.08 -0.87 -1.26 -4.56 114.94 113.98 2htl s ASN 156 Ca 0.00 -0.92 0.00 0.00 -1.57 0.00 0.00 52.86 50.37 2htl s ASN 156 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 2htl s ASN 156 CO 0.00 -0.23 0.00 0.61 -2.57 0.00 0.00 177.10 174.91 2htl n GLY 157 N 4.80 0.46 3.62 0.66 0.00 -1.26 -4.73 105.19 108.74 2htl n GLY 157 Ca -0.14 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2htl n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2htl s VAL 158 N -2.00 4.96 -0.01 1.61 1.01 -1.26 -2.45 120.40 122.27 2htl s VAL 158 Ca 0.00 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.11 2htl s VAL 158 Cb 0.00 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2htl s VAL 158 CO 0.00 -0.02 -0.16 -0.76 0.00 0.00 0.00 175.10 174.15 2htl s LEU 159 N 2.55 2.64 0.25 3.92 1.43 -0.91 -4.94 118.68 123.63 2htl s LEU 159 Ca 0.26 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.14 2htl s LEU 159 Cb -0.15 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2htl s LEU 159 CO 0.09 0.30 -0.03 0.20 0.23 0.00 0.00 176.35 177.14 2htl s ASN 160 N -1.06 4.44 -0.27 2.29 0.01 -1.26 -1.08 114.94 118.01 2htl s ASN 160 Ca 0.13 -0.65 -0.11 0.00 -0.71 0.00 0.00 52.86 51.52 2htl s ASN 160 Cb -0.11 -0.79 0.11 0.00 0.41 0.00 0.00 41.25 40.87 2htl s ASN 160 CO 0.03 0.02 0.60 -0.55 -1.51 0.00 0.00 177.10 175.69 2htl s SER 161 N -3.51 -0.89 -0.05 -1.22 0.15 -0.87 -5.01 113.70 102.30 2htl s SER 161 Ca 0.30 1.40 0.01 0.00 0.70 0.00 0.00 55.95 58.37 2htl s SER 161 Cb -0.07 1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 66.03 2htl s SER 161 CO 0.19 -0.22 -0.06 0.26 1.20 0.00 0.00 173.24 174.60 2htl s TRP 162 N 2.47 2.93 0.63 3.44 0.51 -1.26 -1.51 118.94 126.15 2htl s TRP 162 Ca -0.06 0.01 -0.10 0.00 -2.12 0.00 0.00 56.10 53.83 2htl s TRP 162 Cb -0.10 -1.68 -0.01 0.00 -0.81 0.00 0.00 33.47 30.86 2htl s TRP 162 CO -0.18 0.35 1.01 0.95 -0.51 0.00 0.00 176.95 178.57 2htl s THR 163 N -0.87 4.14 1.26 2.01 -4.23 -0.50 -5.01 115.64 112.44 2htl s THR 163 Ca 0.14 0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 2htl s THR 163 Cb -0.11 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.36 2htl s THR 163 CO 0.03 -0.83 0.83 0.47 -0.54 0.00 0.00 174.62 174.58 2htl n ASP 164 N -2.77 -2.57 -4.72 3.99 10.43 -1.26 -4.49 116.55 115.16 2htl n ASP 164 Ca 0.06 -0.37 -0.42 0.00 2.57 0.00 0.00 54.79 56.62 2htl n ASP 164 Cb 0.56 -1.13 -0.03 0.00 1.84 0.00 0.00 41.12 42.35 2htl n ASP 164 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 2htl s GLN 165 N -4.39 4.28 0.41 -1.24 0.74 -1.26 -4.64 119.66 113.56 2htl s GLN 165 Ca 0.66 2.20 -0.25 0.00 0.05 0.00 0.00 55.36 58.02 2htl s GLN 165 Cb -0.20 -3.20 -0.08 0.00 1.10 0.00 0.00 33.01 30.62 2htl s GLN 165 CO 0.63 -0.49 1.20 0.34 -0.55 0.00 0.00 175.29 176.41 2htl s ASP 166 N 1.03 6.44 0.53 6.67 -1.08 -1.11 -4.93 116.67 124.21 2htl s ASP 166 Ca 0.66 2.40 0.31 0.00 -0.52 0.00 0.00 52.55 55.41 2htl s ASP 166 Cb -0.40 -2.62 1.35 0.00 -1.46 0.00 0.00 42.92 39.79 2htl s ASP 166 CO 0.32 -0.74 1.99 0.28 0.52 0.00 0.00 175.17 177.54 2htl h SER 167 N 2.59 0.00 0.00 -0.34 0.02 -1.90 -2.37 113.55 111.54 2htl h SER 167 Ca -0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2htl h SER 167 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2htl h SER 167 CO 0.62 0.08 -1.00 0.29 -1.14 0.00 0.00 176.83 175.67 2htl n LYS 168 N -3.24 1.20 -0.00 3.45 4.01 -1.26 -3.50 118.16 118.82 2htl n LYS 168 Ca -0.00 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.90 2htl n LYS 168 Cb 0.31 -1.00 -0.13 0.00 -0.51 0.00 0.00 35.03 33.70 2htl n LYS 168 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2htl n ASP 169 N -2.35 0.64 -1.17 4.39 5.68 -1.26 -4.84 116.55 117.64 2htl n ASP 169 Ca -0.00 -0.62 -0.15 0.00 -0.50 0.00 0.00 54.79 53.51 2htl n ASP 169 Cb 0.50 1.34 -0.07 0.00 -1.14 0.00 0.00 41.12 41.75 2htl n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2htl n SER 170 N -1.78 -5.05 -4.81 -1.12 7.64 -0.89 -4.99 113.62 102.61 2htl n SER 170 Ca 0.01 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 59.95 2htl n SER 170 Cb 0.42 -3.90 -0.06 0.00 -1.01 0.00 0.00 64.21 59.66 2htl n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2htl s THR 171 N -2.50 4.81 0.57 0.44 -4.23 -1.26 -4.65 115.64 108.82 2htl s THR 171 Ca 0.00 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2htl s THR 171 Cb 0.00 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.58 2htl s THR 171 CO 0.00 0.21 0.82 -0.31 -0.54 0.00 0.00 174.62 174.79 2htl s TYR 172 N -1.35 2.97 0.04 3.99 1.51 -0.56 -2.77 117.35 121.19 2htl s TYR 172 Ca 0.28 0.19 -0.10 0.00 -1.01 0.00 0.00 57.07 56.44 2htl s TYR 172 Cb -0.12 -2.77 0.01 0.00 -0.11 0.00 0.00 41.96 38.96 2htl s TYR 172 CO 0.21 -0.89 0.20 -1.12 -1.11 0.00 0.00 175.55 172.84 2htl s SER 173 N -4.40 0.02 -0.06 2.29 0.01 -1.26 -1.03 113.70 109.27 2htl s SER 173 Ca 0.56 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 57.42 2htl s SER 173 Cb -0.10 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.44 2htl s SER 173 CO 0.40 -0.56 0.17 -0.32 0.41 0.00 0.00 173.24 173.34 2htl s MET 174 N -2.52 0.20 0.12 12.44 1.75 0.27 -1.41 119.30 130.15 2htl s MET 174 Ca -0.05 0.21 0.09 0.00 -1.25 0.00 0.00 55.69 54.69 2htl s MET 174 Cb -0.01 0.10 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 2htl s MET 174 CO -0.04 -0.03 -0.17 -1.54 -0.65 0.00 0.00 175.02 172.60 2htl s SER 175 N 0.04 3.95 -0.04 1.11 1.04 -0.57 0.81 113.70 120.04 2htl s SER 175 Ca -0.00 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2htl s SER 175 Cb -0.01 -0.58 0.01 0.00 0.10 0.00 0.00 66.02 65.54 2htl s SER 175 CO 0.00 0.17 -0.10 -0.55 0.98 0.00 0.00 173.24 173.75 2htl s SER 176 N -2.20 1.40 -0.32 7.02 0.15 -0.15 -2.06 113.70 117.55 2htl s SER 176 Ca 0.19 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.62 2htl s SER 176 Cb -0.10 -0.48 0.10 0.00 -1.71 0.00 0.00 66.02 63.83 2htl s SER 176 CO 0.11 0.05 0.08 -0.89 1.20 0.00 0.00 173.24 173.79 2htl s THR 177 N 0.37 1.39 -0.43 6.45 2.01 -0.25 -1.41 115.64 123.77 2htl s THR 177 Ca -0.07 -1.73 -0.27 0.00 0.31 0.00 0.00 61.69 59.93 2htl s THR 177 Cb -0.11 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.39 2htl s THR 177 CO 0.01 -0.63 1.01 -0.22 -0.69 0.00 0.00 174.62 174.10 2htl s LEU 178 N 1.36 3.87 -0.12 4.42 2.96 -0.37 -2.14 118.68 128.66 2htl s LEU 178 Ca 0.10 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2htl s LEU 178 Cb -0.18 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2htl s LEU 178 CO -0.19 -1.05 -0.11 -0.89 -1.32 0.00 0.00 176.35 172.79 2htl s THR 179 N 3.90 3.22 0.29 3.68 2.01 -1.03 0.07 115.64 127.78 2htl s THR 179 Ca 0.42 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.85 2htl s THR 179 Cb -0.10 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2htl s THR 179 CO 0.25 0.53 0.23 -0.76 -0.69 0.00 0.00 174.62 174.18 2htl s LEU 180 N 0.11 1.57 0.77 4.42 1.43 -0.81 -4.78 118.68 121.39 2htl s LEU 180 Ca -0.05 -1.65 -0.10 0.00 -1.03 0.00 0.00 54.13 51.31 2htl s LEU 180 Cb -0.15 0.49 0.07 0.00 0.03 0.00 0.00 46.19 46.64 2htl s LEU 180 CO 0.04 -0.99 1.11 0.42 0.23 0.00 0.00 176.35 177.16 2htl s THR 181 N -3.66 2.12 0.10 5.49 -4.23 -1.26 -1.62 115.64 112.57 2htl s THR 181 Ca 0.40 -0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.58 2htl s THR 181 Cb 0.04 -3.00 -0.12 0.00 1.34 0.00 0.00 72.50 70.76 2htl s THR 181 CO 0.23 0.00 1.73 0.50 -0.54 0.00 0.00 174.62 176.54 2htl h LYS 182 N -0.87 0.12 0.01 3.99 3.64 -0.92 -2.80 116.57 119.74 2htl h LYS 182 Ca -0.45 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 58.72 2htl h LYS 182 Cb 1.32 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 2htl h LYS 182 CO 0.63 0.11 -0.91 -0.44 -2.27 0.00 0.00 179.45 176.57 2htl h ASP 183 N 0.10 0.16 -0.79 4.20 5.19 -1.95 -2.54 116.42 120.78 2htl h ASP 183 Ca 0.03 -0.14 0.10 0.00 -0.62 0.00 0.00 57.03 56.41 2htl h ASP 183 Cb 0.02 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 2htl h ASP 183 CO -0.01 0.98 0.52 -0.08 -3.12 0.00 0.00 179.24 177.53 2htl h GLU 184 N 0.06 0.67 0.19 3.56 4.57 -1.91 0.38 114.58 122.10 2htl h GLU 184 Ca -0.04 -0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 57.80 2htl h GLU 184 Cb 1.57 -0.15 0.02 0.00 -0.16 0.00 0.00 28.75 30.03 2htl h GLU 184 CO 0.13 0.45 -1.44 -0.92 -1.18 0.00 0.00 179.01 176.05 2htl h TYR 185 N 0.69 0.75 0.00 0.92 3.20 -1.47 -3.36 116.97 117.71 2htl h TYR 185 Ca 0.37 -0.54 0.00 0.00 3.14 0.00 0.00 58.73 61.69 2htl h TYR 185 Cb 0.49 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2htl h TYR 185 CO -0.00 1.56 0.00 0.93 -1.64 0.00 0.00 178.16 179.00 2htl h GLU 186 N -0.03 0.00 -0.86 1.82 5.08 -0.95 -2.72 114.58 116.91 2htl h GLU 186 Ca -0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2htl h GLU 186 Cb 1.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.21 2htl h GLU 186 CO 0.19 0.00 0.06 2.89 -1.00 0.00 0.00 179.01 181.15 2htl n ARG 187 N -2.92 2.44 -1.24 2.33 1.85 0.13 -4.85 116.66 114.40 2htl n ARG 187 Ca 0.01 -1.34 0.00 0.00 -1.00 0.00 0.00 57.85 55.52 2htl n ARG 187 Cb 0.30 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 2htl n ARG 187 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2htl n HIS 188 N 0.17 -0.01 0.04 2.89 8.25 -1.03 -5.06 115.22 120.47 2htl n HIS 188 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2htl n HIS 188 Cb 0.73 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.84 2htl n HIS 188 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2htl n ASN 189 N -1.85 -0.50 -4.47 0.41 4.05 -1.26 -4.90 115.26 106.73 2htl n ASN 189 Ca 0.00 0.15 -0.43 0.00 0.45 0.00 0.00 54.58 54.76 2htl n ASN 189 Cb 0.00 0.70 -0.10 0.00 1.23 0.00 0.00 39.78 41.61 2htl n ASN 189 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2htl s SER 190 N -3.40 6.13 -0.18 1.20 0.15 -1.26 -1.27 113.70 115.06 2htl s SER 190 Ca 0.00 -0.79 -0.03 0.00 0.70 0.00 0.00 55.95 55.83 2htl s SER 190 Cb 0.00 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2htl s SER 190 CO 0.00 -0.46 -0.05 -0.31 1.20 0.00 0.00 173.24 173.62 2htl s TYR 191 N 1.80 2.96 0.31 3.44 1.51 -0.90 0.22 117.35 126.70 2htl s TYR 191 Ca 0.07 -0.62 0.11 0.00 -1.01 0.00 0.00 57.07 55.62 2htl s TYR 191 Cb -0.18 -2.02 -0.06 0.00 -0.11 0.00 0.00 41.96 39.59 2htl s TYR 191 CO 0.11 -0.29 -0.15 0.95 -1.11 0.00 0.00 175.55 175.06 2htl s THR 192 N 0.90 2.39 -0.11 -0.71 -4.23 -1.03 -1.78 115.64 111.07 2htl s THR 192 Ca -0.01 -2.32 -0.01 0.00 -1.18 0.00 0.00 61.69 58.17 2htl s THR 192 Cb -0.15 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.27 2htl s THR 192 CO 0.01 -0.31 -0.01 0.00 -0.54 0.00 0.00 174.62 173.77 2htl s GLU 194 N 1.89 3.31 -0.17 0.00 2.02 0.71 -1.52 118.70 124.94 2htl s GLU 194 Ca 0.04 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 2htl s GLU 194 Cb -0.13 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.45 2htl s GLU 194 CO -0.06 0.06 -0.04 0.00 0.02 0.00 0.00 175.26 175.23 2htl s ALA 195 N 0.74 1.47 -0.18 5.21 0.00 0.56 -0.81 121.76 128.75 2htl s ALA 195 Ca -0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 2htl s ALA 195 Cb -0.15 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2htl s ALA 195 CO 0.01 -0.86 -0.01 0.99 0.00 0.00 0.00 175.76 175.90 2htl s THR 196 N 1.64 3.99 0.02 0.00 2.01 -1.08 -0.49 115.64 121.73 2htl s THR 196 Ca -0.00 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2htl s THR 196 Cb -0.16 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2htl s THR 196 CO -0.07 0.46 -0.04 -2.28 -0.69 0.00 0.00 174.62 171.99 2htl s HIS 197 N 0.70 0.31 0.55 4.92 2.46 -1.26 -2.77 115.29 120.21 2htl s HIS 197 Ca -0.01 -0.52 0.48 0.00 0.47 0.00 0.00 55.06 55.48 2htl s HIS 197 Cb -0.14 -0.22 1.71 0.00 -0.13 0.00 0.00 32.58 33.80 2htl s HIS 197 CO 0.02 -0.18 1.60 -0.22 -2.47 0.00 0.00 174.74 173.50 2htl h LYS 198 N 4.64 0.00 0.00 2.88 3.64 -1.94 -0.08 116.57 125.71 2htl h LYS 198 Ca -0.32 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2htl h LYS 198 Cb 1.21 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2htl h LYS 198 CO 0.41 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.84 2htl n THR 199 N -4.00 0.47 -3.71 1.00 -2.24 -1.26 -4.75 114.28 99.79 2htl n THR 199 Ca 0.42 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.96 2htl n THR 199 Cb 1.91 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 2htl n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2htl s SER 200 N -3.99 -0.47 0.01 3.42 0.15 -0.04 -4.99 113.70 107.78 2htl s SER 200 Ca 0.11 0.84 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 2htl s SER 200 Cb 0.14 0.76 -0.17 0.00 -1.71 0.00 0.00 66.02 65.04 2htl s SER 200 CO 0.54 -0.17 1.28 0.71 1.20 0.00 0.00 173.24 176.80 2htl h THR 201 N 5.25 0.82 -3.39 6.45 1.35 -1.86 -3.35 112.91 118.18 2htl h THR 201 Ca -0.34 -0.63 -0.60 0.00 -0.55 0.00 0.00 66.41 64.29 2htl h THR 201 Cb 1.18 1.17 -0.10 0.00 -1.73 0.00 0.00 68.15 68.67 2htl h THR 201 CO 0.29 0.13 0.26 -0.94 -0.25 0.00 0.00 175.52 175.02 2htl s SER 202 N -5.18 6.72 0.46 5.36 1.04 -1.26 -4.91 113.70 115.94 2htl s SER 202 Ca -0.14 0.88 -0.22 0.00 0.48 0.00 0.00 55.95 56.95 2htl s SER 202 Cb 0.02 -2.38 -0.11 0.00 0.10 0.00 0.00 66.02 63.66 2htl s SER 202 CO 0.57 -0.39 0.71 -0.81 0.98 0.00 0.00 173.24 174.30 2htl n PRO 203 N 5.59 0.81 -2.93 4.02 -0.04 -1.26 -4.97 135.00 136.21 2htl n PRO 203 Ca 0.02 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 2htl n PRO 203 Cb 0.49 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 2htl n PRO 203 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2htl s ILE 204 N -1.46 4.97 -0.04 0.52 -1.09 0.35 -4.88 121.20 119.56 2htl s ILE 204 Ca 0.65 1.64 0.03 0.00 -2.23 0.00 0.00 60.65 60.74 2htl s ILE 204 Cb -0.55 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 2htl s ILE 204 CO 0.56 0.18 -0.14 0.68 -1.23 0.00 0.00 174.94 174.99 2htl s VAL 205 N 1.17 1.18 -0.01 2.92 -7.23 -1.26 -0.33 120.40 116.84 2htl s VAL 205 Ca 0.41 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2htl s VAL 205 Cb -0.18 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.73 2htl s VAL 205 CO 0.19 0.35 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.78 2htl s LYS 206 N 0.24 0.26 0.03 4.82 -0.14 -0.57 -4.97 119.74 119.40 2htl s LYS 206 Ca -0.06 -0.03 -0.11 0.00 -1.36 0.00 0.00 55.97 54.40 2htl s LYS 206 Cb -0.12 -0.33 0.01 0.00 -1.68 0.00 0.00 37.83 35.72 2htl s LYS 206 CO 0.02 -0.01 0.22 -1.54 -0.76 0.00 0.00 175.35 173.28 2htl s SER 207 N 0.35 -0.03 0.14 2.83 1.04 -1.26 -0.47 113.70 116.30 2htl s SER 207 Ca -0.03 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.23 2htl s SER 207 Cb -0.06 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2htl s SER 207 CO -0.01 -0.52 -0.16 0.72 0.98 0.00 0.00 173.24 174.25 2htl s PHE 208 N -2.17 1.60 -0.14 5.02 -0.12 -0.73 -5.01 117.98 116.43 2htl s PHE 208 Ca -0.08 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.31 2htl s PHE 208 Cb -0.03 -0.82 0.01 0.00 -0.63 0.00 0.00 43.02 41.55 2htl s PHE 208 CO -0.02 0.23 -0.22 -0.80 -0.05 0.00 0.00 175.22 174.37 2htl s ASN 209 N -2.56 3.12 0.17 1.98 0.01 -1.26 -2.11 114.94 114.30 2htl s ASN 209 Ca 0.12 -0.59 -0.18 0.00 -0.71 0.00 0.00 52.86 51.50 2htl s ASN 209 Cb -0.05 -1.44 0.11 0.00 0.41 0.00 0.00 41.25 40.27 2htl s ASN 209 CO 0.05 0.09 1.64 0.03 -1.51 0.00 0.00 177.10 177.40 2htl h ARG 210 N 7.24 -0.09 0.00 -0.60 3.08 -1.53 -3.50 114.38 118.98 2htl h ARG 210 Ca -0.31 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2htl h ARG 210 Cb 1.20 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2htl h ARG 210 CO 0.54 -0.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.38