#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fed n ILE 2 N 0.00 0.12 -3.36 2.12 2.08 -1.26 -4.91 119.36 114.15 2fed n ILE 2 Ca 0.00 -0.02 -0.43 0.00 0.56 0.00 0.00 62.75 62.86 2fed n ILE 2 Cb 0.00 -0.83 -0.09 0.00 -0.75 0.00 0.00 39.64 37.97 2fed n ILE 2 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2fed s VAL 3 N 1.93 5.14 -0.21 1.39 1.01 -1.26 -4.73 120.40 123.66 2fed s VAL 3 Ca 0.93 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 2fed s VAL 3 Cb -1.11 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.21 2fed s VAL 3 CO 0.60 -0.42 0.43 -0.76 0.00 0.00 0.00 175.10 174.95 2fed s LEU 4 N 1.99 4.14 -0.10 3.92 1.43 -1.26 -2.00 118.68 126.79 2fed s LEU 4 Ca 0.10 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2fed s LEU 4 Cb -0.18 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 2fed s LEU 4 CO 0.12 -0.12 -0.18 -0.89 0.23 0.00 0.00 176.35 175.51 2fed s THR 5 N 1.52 2.65 -0.14 5.49 2.01 0.30 -4.14 115.64 123.33 2fed s THR 5 Ca 0.20 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 2fed s THR 5 Cb -0.15 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 2fed s THR 5 CO 0.09 0.55 0.23 -1.10 -0.69 0.00 0.00 174.62 173.69 2fed s GLN 6 N 0.17 4.02 0.00 4.92 -0.21 -1.26 -1.52 119.66 125.78 2fed s GLN 6 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2fed s GLN 6 Cb -0.16 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.51 2fed s GLN 6 CO 0.06 0.43 0.00 0.45 -2.12 0.00 0.00 175.29 174.11 2fed n SER 7 N 3.00 0.00 -4.74 5.90 2.88 0.12 -4.23 113.62 116.55 2fed n SER 7 Ca -0.15 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.98 2fed n SER 7 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2fed n SER 7 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2fed s PRO 8 N 0.00 4.60 0.22 -1.46 0.02 -1.26 -4.89 135.00 132.24 2fed s PRO 8 Ca 0.00 1.69 0.08 0.00 0.02 0.00 0.00 61.00 62.79 2fed s PRO 8 Cb 0.00 -3.29 0.17 0.00 0.02 0.00 0.00 34.50 31.41 2fed s PRO 8 CO 0.00 0.09 1.50 0.00 -0.33 0.00 0.00 177.00 178.26 2fed h ALA 9 N 5.17 0.77 -3.11 -1.55 0.00 -1.78 -3.38 119.26 115.37 2fed h ALA 9 Ca -0.44 -0.66 -0.23 0.00 0.00 0.00 0.00 54.91 53.58 2fed h ALA 9 Cb 1.21 -0.11 -0.32 0.00 0.00 0.00 0.00 17.79 18.58 2fed h ALA 9 CO 0.72 0.89 -0.56 0.42 0.00 0.00 0.00 179.25 180.72 2fed s ILE 10 N -3.38 -0.12 0.04 0.00 1.01 -1.26 -1.57 121.20 115.93 2fed s ILE 10 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2fed s ILE 10 Cb 0.12 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 2fed s ILE 10 CO 0.79 0.09 -0.04 0.00 0.00 0.00 0.00 174.94 175.77 2fed s MET 11 N 1.50 0.49 -0.10 2.79 0.23 0.27 -4.92 119.30 119.57 2fed s MET 11 Ca -0.06 -0.90 -0.01 0.00 -1.03 0.00 0.00 55.69 53.68 2fed s MET 11 Cb -0.11 0.05 0.03 0.00 -1.53 0.00 0.00 34.83 33.27 2fed s MET 11 CO -0.07 -0.05 -0.01 -1.12 -2.03 0.00 0.00 175.02 171.74 2fed s SER 12 N -2.11 1.88 0.12 -1.18 0.01 -1.26 0.80 113.70 111.97 2fed s SER 12 Ca -0.05 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2fed s SER 12 Cb -0.03 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2fed s SER 12 CO -0.04 -0.20 -0.02 0.00 0.41 0.00 0.00 173.24 173.39 2fed s ALA 13 N 1.91 1.00 -0.15 1.44 0.00 -0.95 -4.91 121.76 120.11 2fed s ALA 13 Ca 0.04 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 2fed s ALA 13 Cb -0.13 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2fed s ALA 13 CO -0.06 -0.32 0.06 0.00 0.00 0.00 0.00 175.76 175.44 2fed s ALA 14 N -3.75 3.48 -0.03 0.00 0.00 -1.26 -1.65 121.76 118.55 2fed s ALA 14 Ca 0.17 -0.73 -0.40 0.00 0.00 0.00 0.00 51.96 50.99 2fed s ALA 14 Cb 0.06 -1.83 -0.20 0.00 0.00 0.00 0.00 23.12 21.16 2fed s ALA 14 CO -0.02 0.37 1.13 -2.30 0.00 0.00 0.00 175.76 174.94 2fed n PRO 15 N 2.87 0.08 0.00 0.00 -0.02 -1.26 -1.08 135.00 135.59 2fed n PRO 15 Ca -0.18 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2fed n PRO 15 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 2fed n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fed n GLY 16 N 1.76 2.69 3.75 -1.23 0.00 -0.40 -4.93 105.19 106.83 2fed n GLY 16 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2fed n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fed s ASP 17 N -0.65 6.82 0.16 1.61 -0.00 -0.24 -4.48 116.67 119.89 2fed s ASP 17 Ca 0.00 2.56 -0.30 0.00 -0.00 0.00 0.00 52.55 54.81 2fed s ASP 17 Cb 0.00 -2.63 -0.08 0.00 -0.00 0.00 0.00 42.92 40.21 2fed s ASP 17 CO 0.00 -0.55 1.23 -0.75 -0.00 0.00 0.00 175.17 175.11 2fed s LYS 18 N -0.88 4.45 -0.06 8.23 2.20 -1.26 -0.49 119.74 131.93 2fed s LYS 18 Ca 0.54 1.91 0.04 0.00 -0.36 0.00 0.00 55.97 58.09 2fed s LYS 18 Cb -0.39 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2fed s LYS 18 CO 0.45 -0.17 -0.17 0.08 -0.36 0.00 0.00 175.35 175.18 2fed s VAL 19 N 0.22 1.48 -0.14 4.02 1.01 -0.47 -4.95 120.40 121.56 2fed s VAL 19 Ca 0.55 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2fed s VAL 19 Cb -0.33 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 34.81 2fed s VAL 19 CO 0.35 0.43 -0.01 -0.89 0.00 0.00 0.00 175.10 174.98 2fed s THR 20 N 0.23 0.74 0.49 3.92 2.01 -1.26 -0.95 115.64 120.82 2fed s THR 20 Ca -0.09 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2fed s THR 20 Cb -0.14 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.42 2fed s THR 20 CO 0.04 0.09 0.58 0.00 -0.69 0.00 0.00 174.62 174.64 2fed s MET 21 N 1.80 2.52 0.02 4.92 0.23 -0.70 -4.97 119.30 123.11 2fed s MET 21 Ca 0.02 -1.54 0.00 0.00 -1.03 0.00 0.00 55.69 53.14 2fed s MET 21 Cb -0.15 -2.56 -0.02 0.00 -1.53 0.00 0.00 34.83 30.58 2fed s MET 21 CO -0.07 -0.50 -0.03 0.99 -2.03 0.00 0.00 175.02 173.37 2fed s THR 22 N -2.54 0.16 -0.12 3.16 2.01 -1.26 -2.29 115.64 114.76 2fed s THR 22 Ca 0.53 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2fed s THR 22 Cb -0.06 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.19 2fed s THR 22 CO 0.32 -0.46 -0.06 0.00 -0.69 0.00 0.00 174.62 173.74 2fed s SER 24 N 1.74 3.17 -0.03 0.00 0.01 -0.57 -0.29 113.70 117.73 2fed s SER 24 Ca 0.04 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2fed s SER 24 Cb -0.13 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2fed s SER 24 CO -0.08 0.21 -0.07 0.00 0.41 0.00 0.00 173.24 173.71 2fed s ALA 25 N 0.03 2.98 0.29 1.44 0.00 -0.48 -0.54 121.76 125.47 2fed s ALA 25 Ca -0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 2fed s ALA 25 Cb -0.15 -1.16 0.44 0.00 0.00 0.00 0.00 23.12 22.25 2fed s ALA 25 CO 0.06 0.59 1.93 0.66 0.00 0.00 0.00 175.76 178.99 2fed h SER 26 N 4.87 0.99 -0.43 0.00 4.64 -1.74 -3.44 113.55 118.44 2fed h SER 26 Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2fed h SER 26 Cb 1.17 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2fed h SER 26 CO 0.53 0.67 0.00 -1.20 -0.87 0.00 0.00 176.83 175.96 2fed n SER 27 N -4.45 0.46 -4.74 4.97 7.64 -1.26 -4.99 113.62 111.25 2fed n SER 27 Ca 0.12 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.65 2fed n SER 27 Cb 0.11 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 2fed n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2fed s SER 28 N 0.39 5.81 0.26 6.43 0.15 -1.26 -4.52 113.70 120.97 2fed s SER 28 Ca 0.00 0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.92 2fed s SER 28 Cb 0.00 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.39 2fed s SER 28 CO 0.00 0.31 0.04 0.68 1.20 0.00 0.00 173.24 175.48 2fed s VAL 29 N -0.47 0.93 -0.14 4.45 -7.23 -1.02 -4.91 120.40 112.01 2fed s VAL 29 Ca 0.10 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.14 2fed s VAL 29 Cb -0.12 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.32 2fed s VAL 29 CO 0.02 -0.15 0.37 -0.94 -0.31 0.00 0.00 175.10 174.09 2fed s SER 30 N -3.35 -0.40 -0.63 4.85 1.04 -1.26 -3.46 113.70 110.48 2fed s SER 30 Ca 0.33 0.75 -0.07 0.00 0.48 0.00 0.00 55.95 57.45 2fed s SER 30 Cb 0.07 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.94 2fed s SER 30 CO 0.12 -0.14 0.66 -1.22 0.98 0.00 0.00 173.24 173.64 2fed n TYR 31 N 3.13 -3.10 -2.65 5.02 4.02 -1.26 -4.37 117.16 117.95 2fed n TYR 31 Ca -0.15 1.21 -0.24 0.00 -0.01 0.00 0.00 57.90 58.71 2fed n TYR 31 Cb 0.57 -3.97 0.03 0.00 -0.02 0.00 0.00 39.34 35.95 2fed n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2fed s ILE 32 N -2.82 3.44 0.44 -0.72 -4.36 -1.26 -4.53 121.20 111.38 2fed s ILE 32 Ca 0.09 -0.36 0.05 0.00 -0.26 0.00 0.00 60.65 60.17 2fed s ILE 32 Cb -0.02 -3.32 -0.06 0.00 1.25 0.00 0.00 42.46 40.31 2fed s ILE 32 CO 0.77 -0.27 0.02 -1.00 0.24 0.00 0.00 174.94 174.69 2fed s HIS 33 N -2.80 2.25 0.01 1.37 3.76 0.69 0.07 115.29 120.64 2fed s HIS 33 Ca 0.53 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2fed s HIS 33 Cb -0.10 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 2fed s HIS 33 CO 0.41 0.32 -0.01 -1.58 -0.85 0.00 0.00 174.74 173.03 2fed s TRP 34 N -2.82 0.10 -0.02 1.40 0.52 0.24 -1.78 118.94 116.57 2fed s TRP 34 Ca 0.25 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.24 2fed s TRP 34 Cb 0.07 -0.07 -0.01 0.00 -1.15 0.00 0.00 33.47 32.31 2fed s TRP 34 CO 0.13 -0.07 -0.20 0.71 0.02 0.00 0.00 176.95 177.54 2fed s TYR 35 N -0.53 1.81 -0.23 -1.98 1.51 0.14 -1.07 117.35 117.00 2fed s TYR 35 Ca -0.06 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.54 2fed s TYR 35 Cb -0.04 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2fed s TYR 35 CO -0.00 -0.06 0.12 -1.14 -1.11 0.00 0.00 175.55 173.36 2fed s GLN 36 N -0.39 3.97 -0.33 -0.62 0.74 -0.30 -1.16 119.66 121.55 2fed s GLN 36 Ca 0.06 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.17 2fed s GLN 36 Cb -0.08 -3.43 0.09 0.00 1.10 0.00 0.00 33.01 30.69 2fed s GLN 36 CO -0.00 0.06 0.04 -1.14 -0.55 0.00 0.00 175.29 173.69 2fed s GLN 37 N 1.03 1.66 0.64 1.67 0.74 -0.58 0.60 119.66 125.41 2fed s GLN 37 Ca 0.06 -1.79 -0.12 0.00 0.05 0.00 0.00 55.36 53.57 2fed s GLN 37 Cb -0.14 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 2fed s GLN 37 CO 0.04 -0.89 1.04 0.15 -0.55 0.00 0.00 175.29 175.08 2fed s LYS 38 N 0.96 3.33 0.07 1.67 1.02 -1.26 -1.28 119.74 124.25 2fed s LYS 38 Ca 0.08 0.88 -0.37 0.00 0.02 0.00 0.00 55.97 56.58 2fed s LYS 38 Cb -0.19 -2.04 -0.16 0.00 -0.52 0.00 0.00 37.83 34.91 2fed s LYS 38 CO -0.07 -0.78 1.39 0.43 -0.92 0.00 0.00 175.35 175.40 2fed n SER 39 N -2.78 1.85 -3.87 2.83 7.64 -1.26 -2.05 113.62 115.99 2fed n SER 39 Ca 0.07 1.11 -0.27 0.00 1.01 0.00 0.00 58.87 60.79 2fed n SER 39 Cb 0.54 -1.21 0.02 0.00 -1.01 0.00 0.00 64.21 62.54 2fed n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fed n GLY 40 N 2.73 -0.38 3.22 0.23 0.00 -1.26 -4.97 105.19 104.76 2fed n GLY 40 Ca 0.19 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 2fed n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2fed s THR 41 N -3.52 0.08 0.47 2.61 -1.32 -0.87 -5.16 115.64 107.93 2fed s THR 41 Ca 0.35 -0.65 -0.21 0.00 -1.21 0.00 0.00 61.69 59.97 2fed s THR 41 Cb -0.18 -0.77 -0.08 0.00 -1.51 0.00 0.00 72.50 69.95 2fed s THR 41 CO 0.84 -0.36 1.06 -0.44 -2.21 0.00 0.00 174.62 173.51 2fed s SER 42 N -1.74 6.38 0.74 8.08 0.01 -1.26 -4.48 113.70 121.43 2fed s SER 42 Ca -0.09 2.01 -0.15 0.00 1.31 0.00 0.00 55.95 59.03 2fed s SER 42 Cb -0.03 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.66 2fed s SER 42 CO -0.00 -0.75 1.17 -2.65 0.41 0.00 0.00 173.24 171.41 2fed n PRO 43 N -0.72 0.54 -3.93 12.44 -0.02 -1.26 -4.67 135.00 137.38 2fed n PRO 43 Ca 0.08 0.25 -0.25 0.00 -2.02 0.00 0.00 63.50 61.56 2fed n PRO 43 Cb 0.51 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 2fed n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2fed s LYS 44 N -3.70 1.22 -0.37 -0.52 1.02 0.20 -4.93 119.74 112.66 2fed s LYS 44 Ca 0.76 -0.15 -0.33 0.00 0.02 0.00 0.00 55.97 56.28 2fed s LYS 44 Cb -0.33 -1.34 -0.10 0.00 -0.52 0.00 0.00 37.83 35.53 2fed s LYS 44 CO 0.47 -0.25 2.24 -2.13 -0.92 0.00 0.00 175.35 174.77 2fed n ARG 45 N 4.87 1.18 -0.07 1.68 0.63 -1.26 -1.15 116.66 122.53 2fed n ARG 45 Ca -0.12 0.29 -0.06 0.00 -0.92 0.00 0.00 57.85 57.04 2fed n ARG 45 Cb 0.50 -2.64 -0.02 0.00 0.45 0.00 0.00 32.46 30.75 2fed n ARG 45 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2fed n TRP 46 N 10.78 0.33 -5.11 -0.14 -0.00 -0.23 -4.64 117.44 118.43 2fed n TRP 46 Ca 0.40 0.14 -0.28 0.00 -0.00 0.00 0.00 57.50 57.76 2fed n TRP 46 Cb 0.29 -0.53 -0.16 0.00 -0.00 0.00 0.00 31.31 30.91 2fed n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2fed s ILE 47 N -2.34 1.78 0.09 5.87 1.01 -0.95 -1.46 121.20 125.21 2fed s ILE 47 Ca -0.19 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2fed s ILE 47 Cb 0.03 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2fed s ILE 47 CO 0.28 0.50 -0.03 -0.72 0.00 0.00 0.00 174.94 174.96 2fed s TYR 48 N -0.54 0.77 -1.28 3.97 -0.85 0.28 0.83 117.35 120.53 2fed s TYR 48 Ca 0.09 -1.02 -0.23 0.00 -0.52 0.00 0.00 57.07 55.38 2fed s TYR 48 Cb -0.09 -0.48 0.02 0.00 0.38 0.00 0.00 41.96 41.80 2fed s TYR 48 CO -0.01 -0.29 0.55 -0.25 -1.52 0.00 0.00 175.55 174.04 2fed n ASP 49 N -0.01 -3.07 0.00 -0.18 8.00 -1.16 -0.55 116.55 119.59 2fed n ASP 49 Ca -0.12 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.16 2fed n ASP 49 Cb 0.61 -2.07 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 2fed n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2fed n THR 50 N -4.77 0.00 -0.91 -3.53 -1.04 0.11 -3.74 114.28 100.39 2fed n THR 50 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2fed n THR 50 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2fed n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2fed n SER 51 N 0.87 0.00 -4.73 8.00 3.41 -1.12 -2.40 113.62 117.65 2fed n SER 51 Ca 0.00 -0.70 -0.41 0.00 -0.26 0.00 0.00 58.87 57.49 2fed n SER 51 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2fed n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fed s LYS 52 N 0.00 4.65 0.15 4.33 1.02 0.29 -4.40 119.74 125.77 2fed s LYS 52 Ca 0.00 1.53 -0.18 0.00 0.02 0.00 0.00 55.97 57.34 2fed s LYS 52 Cb 0.00 -3.36 -0.07 0.00 -0.52 0.00 0.00 37.83 33.88 2fed s LYS 52 CO 0.00 0.14 0.62 -0.51 -0.92 0.00 0.00 175.35 174.67 2fed s LEU 53 N 0.04 4.41 1.07 3.17 1.43 -1.26 -0.56 118.68 126.99 2fed s LEU 53 Ca 0.49 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 2fed s LEU 53 Cb -0.25 -3.24 0.23 0.00 0.03 0.00 0.00 46.19 42.96 2fed s LEU 53 CO 0.31 0.14 1.07 -0.89 0.23 0.00 0.00 176.35 177.21 2fed s THR 54 N -1.35 2.09 -0.02 5.49 2.01 -0.53 -4.92 115.64 118.41 2fed s THR 54 Ca 0.36 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2fed s THR 54 Cb -0.17 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2fed s THR 54 CO 0.20 -0.04 1.15 -0.55 -0.69 0.00 0.00 174.62 174.69 2fed s SER 55 N -2.65 7.13 0.00 3.53 0.15 -1.26 -3.05 113.70 117.55 2fed s SER 55 Ca 0.67 1.82 0.00 0.00 0.70 0.00 0.00 55.95 59.15 2fed s SER 55 Cb -0.24 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2fed s SER 55 CO 0.62 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2fed n GLY 56 N 3.22 0.78 3.66 9.45 0.00 -1.26 -5.05 105.19 115.99 2fed n GLY 56 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2fed n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fed s VAL 57 N -2.13 4.97 0.48 1.61 1.01 -1.17 -5.04 120.40 120.13 2fed s VAL 57 Ca 0.00 1.35 -0.23 0.00 0.00 0.00 0.00 61.98 63.10 2fed s VAL 57 Cb 0.00 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2fed s VAL 57 CO 0.00 0.07 1.17 -0.81 0.00 0.00 0.00 175.10 175.53 2fed n PRO 58 N 5.16 1.54 0.01 2.72 -0.04 -1.26 -4.88 135.00 138.24 2fed n PRO 58 Ca 0.01 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.09 2fed n PRO 58 Cb 0.49 -2.30 0.27 0.00 -0.04 0.00 0.00 33.50 31.92 2fed n PRO 58 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2fed n VAL 59 N -0.75 1.18 0.21 0.52 0.24 -1.26 -2.65 118.33 115.82 2fed n VAL 59 Ca 0.09 0.30 0.16 0.00 -2.04 0.00 0.00 64.34 62.86 2fed n VAL 59 Cb 0.42 -1.11 0.82 0.00 -1.47 0.00 0.00 33.84 32.49 2fed n VAL 59 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2fed h ARG 60 N 0.00 0.00 -6.97 7.34 0.11 -1.90 -3.43 114.38 109.54 2fed h ARG 60 Ca 0.00 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.60 2fed h ARG 60 Cb 0.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.28 2fed h ARG 60 CO 0.00 0.00 0.24 -0.06 0.10 0.00 0.00 179.97 180.25 2fed s PHE 61 N -4.71 3.41 -0.27 4.08 0.40 -1.08 0.23 117.98 120.03 2fed s PHE 61 Ca -0.05 1.33 -0.25 0.00 -0.60 0.00 0.00 56.93 57.36 2fed s PHE 61 Cb 0.16 -2.65 0.11 0.00 0.51 0.00 0.00 43.02 41.14 2fed s PHE 61 CO 0.57 -0.14 0.96 -1.54 0.70 0.00 0.00 175.22 175.78 2fed s SER 62 N -2.71 -0.51 0.26 1.36 1.04 -0.27 -4.94 113.70 107.94 2fed s SER 62 Ca 0.56 0.94 0.09 0.00 0.48 0.00 0.00 55.95 58.03 2fed s SER 62 Cb -0.10 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 2fed s SER 62 CO 0.24 -0.19 0.04 -0.83 0.98 0.00 0.00 173.24 173.47 2fed s GLY 63 N 0.14 1.60 0.09 7.32 0.00 -1.25 0.31 107.32 115.53 2fed s GLY 63 Ca 0.02 -1.61 -0.25 0.00 0.00 0.00 0.00 44.72 42.88 2fed s GLY 63 CO -0.04 -1.67 1.14 -1.35 0.00 0.00 0.00 173.10 171.18 2fed s SER 64 N -3.71 -0.02 0.00 1.64 1.04 -0.81 -4.32 113.70 107.53 2fed s SER 64 Ca 0.32 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2fed s SER 64 Cb -0.07 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2fed s SER 64 CO 0.21 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2fed n GLY 65 N -0.71 0.97 3.57 7.32 0.00 -1.26 -1.82 105.19 113.26 2fed n GLY 65 Ca -0.02 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 2fed n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fed s SER 66 N 0.00 -0.42 1.48 1.61 1.04 -0.61 -4.94 113.70 111.86 2fed s SER 66 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2fed s SER 66 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2fed s SER 66 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2fed n GLY 67 N -0.38 2.34 0.10 7.32 0.00 -1.23 -2.83 105.19 110.51 2fed n GLY 67 Ca -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.87 2fed n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fed n THR 68 N 0.00 1.12 -4.25 2.61 -2.24 -1.26 -2.42 114.28 107.84 2fed n THR 68 Ca 0.00 -0.67 -0.34 0.00 -2.27 0.00 0.00 64.05 60.76 2fed n THR 68 Cb 0.00 -0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 67.43 2fed n THR 68 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2fed s SER 69 N -5.73 5.18 -0.02 3.42 1.04 -1.13 -1.38 113.70 115.07 2fed s SER 69 Ca -0.03 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 2fed s SER 69 Cb 0.09 -1.80 0.01 0.00 0.10 0.00 0.00 66.02 64.42 2fed s SER 69 CO 0.81 0.21 0.12 -0.31 0.98 0.00 0.00 173.24 175.05 2fed s TYR 70 N 0.14 -0.03 0.02 5.02 1.51 0.61 -1.58 117.35 123.03 2fed s TYR 70 Ca 0.01 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.17 2fed s TYR 70 Cb -0.13 -0.01 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2fed s TYR 70 CO 0.02 -0.18 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.67 2fed s SER 71 N -0.69 0.78 -0.10 2.29 1.04 -0.75 0.19 113.70 116.45 2fed s SER 71 Ca -0.08 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2fed s SER 71 Cb -0.05 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2fed s SER 71 CO 0.01 -0.05 -0.05 -0.22 0.98 0.00 0.00 173.24 173.90 2fed s LEU 72 N -0.81 3.23 -0.10 2.42 0.20 -0.97 -1.92 118.68 120.74 2fed s LEU 72 Ca -0.03 -0.05 -0.02 0.00 0.69 0.00 0.00 54.13 54.72 2fed s LEU 72 Cb -0.06 -1.73 0.04 0.00 -0.43 0.00 0.00 46.19 44.01 2fed s LEU 72 CO 0.00 0.30 0.02 -0.89 -0.29 0.00 0.00 176.35 175.49 2fed s THR 73 N -0.41 0.32 -0.51 3.68 2.01 0.15 -1.72 115.64 119.16 2fed s THR 73 Ca 0.06 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 2fed s THR 73 Cb -0.12 -0.58 0.07 0.00 0.01 0.00 0.00 72.50 71.87 2fed s THR 73 CO 0.02 0.14 0.60 -0.63 -0.69 0.00 0.00 174.62 174.06 2fed s ILE 74 N 1.98 4.93 -0.45 1.82 1.01 -0.12 -1.11 121.20 129.26 2fed s ILE 74 Ca 0.04 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 2fed s ILE 74 Cb -0.13 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.06 2fed s ILE 74 CO -0.06 -0.82 0.96 0.21 0.00 0.00 0.00 174.94 175.23 2fed s ASN 75 N 2.84 6.54 -0.22 3.58 2.47 0.13 -1.37 114.94 128.91 2fed s ASN 75 Ca 0.13 0.23 -0.09 0.00 0.42 0.00 0.00 52.86 53.55 2fed s ASN 75 Cb -0.21 -2.47 0.03 0.00 -1.45 0.00 0.00 41.25 37.16 2fed s ASN 75 CO 0.10 -1.06 0.17 0.41 -3.72 0.00 0.00 177.10 173.01 2fed n THR 76 N 6.43-12.35 -1.95 -5.21 -1.04 -1.24 -4.74 114.28 94.18 2fed n THR 76 Ca 0.07 2.45 -0.35 0.00 -2.04 0.00 0.00 64.05 64.18 2fed n THR 76 Cb 0.48 -6.56 0.04 0.00 -1.82 0.00 0.00 70.33 62.48 2fed n THR 76 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2fed s MET 77 N -0.95 2.91 0.29 -2.82 1.75 0.36 -4.75 119.30 116.10 2fed s MET 77 Ca -0.20 1.75 0.10 0.00 -1.25 0.00 0.00 55.69 56.10 2fed s MET 77 Cb 0.01 -1.93 -0.06 0.00 2.84 0.00 0.00 34.83 35.70 2fed s MET 77 CO 0.77 -1.24 -0.15 -1.21 -0.65 0.00 0.00 175.02 172.55 2fed s GLU 78 N -3.46 1.69 0.39 4.11 0.41 -1.26 -1.27 118.70 119.30 2fed s GLU 78 Ca 0.75 -1.81 0.28 0.00 -0.41 0.00 0.00 54.97 53.78 2fed s GLU 78 Cb -0.28 -1.65 1.07 0.00 -1.78 0.00 0.00 34.13 31.49 2fed s GLU 78 CO 0.34 0.23 1.82 0.00 -0.49 0.00 0.00 175.26 177.17 2fed h ALA 79 N 2.21 1.00 -0.07 5.21 0.00 -1.96 -2.66 119.26 123.00 2fed h ALA 79 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2fed h ALA 79 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2fed h ALA 79 CO 0.64 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 2fed n GLU 80 N -2.67 1.44 -0.14 0.00 0.28 -1.24 -3.46 120.64 114.84 2fed n GLU 80 Ca 0.02 -0.36 0.06 0.00 -0.16 0.00 0.00 57.16 56.72 2fed n GLU 80 Cb 0.31 -1.57 0.13 0.00 1.43 0.00 0.00 31.44 31.75 2fed n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2fed n ASP 81 N 0.08 2.74 -4.56 -1.84 10.43 -1.00 -4.91 116.55 117.49 2fed n ASP 81 Ca 0.03 -1.87 -0.29 0.00 2.57 0.00 0.00 54.79 55.24 2fed n ASP 81 Cb 0.37 -0.18 -0.04 0.00 1.84 0.00 0.00 41.12 43.11 2fed n ASP 81 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fed s ALA 82 N -1.00 1.58 0.28 2.24 0.00 -1.22 -4.83 121.76 118.80 2fed s ALA 82 Ca 0.22 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2fed s ALA 82 Cb 0.12 -4.45 -0.00 0.00 0.00 0.00 0.00 23.12 18.79 2fed s ALA 82 CO 0.17 -4.74 0.34 0.00 0.00 0.00 0.00 175.76 171.53 2fed n ALA 83 N 15.10 0.01 -3.05 0.00 0.00 -1.24 -4.40 120.51 126.92 2fed n ALA 83 Ca 0.35 -1.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.07 2fed n ALA 83 Cb 0.49 1.12 -0.13 0.00 0.00 0.00 0.00 19.45 20.93 2fed n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2fed s THR 84 N -2.85 3.46 -0.23 0.00 2.01 -0.40 -1.10 115.64 116.52 2fed s THR 84 Ca 0.26 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 2fed s THR 84 Cb -0.00 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2fed s THR 84 CO 0.19 0.50 0.02 -0.31 -0.69 0.00 0.00 174.62 174.33 2fed s TYR 85 N 0.43 3.04 -0.16 4.92 1.51 -0.99 -1.53 117.35 124.57 2fed s TYR 85 Ca -0.07 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.36 2fed s TYR 85 Cb -0.15 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2fed s TYR 85 CO 0.04 -0.39 0.03 0.71 -1.11 0.00 0.00 175.55 174.83 2fed s TYR 86 N 1.44 3.19 0.19 2.71 1.51 -0.31 -2.45 117.35 123.63 2fed s TYR 86 Ca 0.05 0.00 -0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2fed s TYR 86 Cb -0.15 -2.01 -0.06 0.00 -0.11 0.00 0.00 41.96 39.63 2fed s TYR 86 CO 0.01 0.15 0.45 0.00 -1.11 0.00 0.00 175.55 175.06 2fed s GLN 88 N -2.91 0.47 0.24 0.00 -0.44 -0.73 0.14 119.66 116.44 2fed s GLN 88 Ca 0.43 0.70 0.10 0.00 -2.50 0.00 0.00 55.36 54.09 2fed s GLN 88 Cb -0.12 0.14 -0.04 0.00 -1.64 0.00 0.00 33.01 31.35 2fed s GLN 88 CO 0.25 -0.10 -0.08 1.14 0.50 0.00 0.00 175.29 176.99 2fed s GLN 89 N 0.74 2.06 0.00 1.67 1.03 -0.88 -0.22 119.66 124.06 2fed s GLN 89 Ca -0.04 -1.47 0.11 0.00 0.04 0.00 0.00 55.36 54.00 2fed s GLN 89 Cb -0.05 -2.05 0.19 0.00 0.03 0.00 0.00 33.01 31.12 2fed s GLN 89 CO -0.05 0.38 1.04 1.87 -2.54 0.00 0.00 175.29 175.98 2fed n TRP 90 N -0.55 0.00 0.39 9.60 -0.00 -1.26 -2.80 117.44 122.82 2fed n TRP 90 Ca -0.07 -0.43 0.13 0.00 -0.00 0.00 0.00 57.50 57.13 2fed n TRP 90 Cb 0.58 0.15 0.40 0.00 -0.00 0.00 0.00 31.31 32.44 2fed n TRP 90 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2fed h SER 91 N 0.44 0.00 -3.17 5.87 4.64 -1.86 -3.41 113.55 116.06 2fed h SER 91 Ca -0.34 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.49 2fed h SER 91 Cb 1.60 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.28 2fed h SER 91 CO -0.08 0.00 -0.76 -0.44 -0.87 0.00 0.00 176.83 174.69 2fed s SER 92 N -5.25 2.64 0.28 4.97 0.01 -1.26 -4.95 113.70 110.15 2fed s SER 92 Ca 0.07 -0.72 -0.29 0.00 1.31 0.00 0.00 55.95 56.31 2fed s SER 92 Cb 0.09 -0.43 -0.10 0.00 0.21 0.00 0.00 66.02 65.79 2fed s SER 92 CO 0.58 -0.33 1.10 -2.28 0.41 0.00 0.00 173.24 172.72 2fed s HIS 93 N 1.99 3.57 0.55 2.43 2.46 -1.26 -3.92 115.29 121.10 2fed s HIS 93 Ca 0.00 1.70 -0.15 0.00 0.47 0.00 0.00 55.06 57.08 2fed s HIS 93 Cb -0.17 -3.29 -0.06 0.00 -0.13 0.00 0.00 32.58 28.94 2fed s HIS 93 CO -0.08 -0.56 1.00 -1.25 -2.47 0.00 0.00 174.74 171.38 2fed s PRO 94 N -1.48 3.78 0.79 2.88 0.04 -1.26 -4.90 135.00 134.86 2fed s PRO 94 Ca 0.45 0.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 2fed s PRO 94 Cb -0.32 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.19 2fed s PRO 94 CO 0.41 -0.41 1.19 1.14 0.04 0.00 0.00 177.00 179.36 2fed s GLN 95 N -4.35 1.79 -0.11 4.56 0.00 -1.25 -4.66 119.66 115.63 2fed s GLN 95 Ca 0.58 1.68 -0.10 0.00 -0.00 0.00 0.00 55.36 57.52 2fed s GLN 95 Cb -0.11 -1.80 0.03 0.00 0.00 0.00 0.00 33.01 31.13 2fed s GLN 95 CO 0.38 -2.08 0.30 0.95 0.00 0.00 0.00 175.29 174.84 2fed s THR 96 N -2.22 -0.00 0.44 3.63 -4.23 -1.12 -5.00 115.64 107.13 2fed s THR 96 Ca 0.72 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 2fed s THR 96 Cb -0.27 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.15 2fed s THR 96 CO 0.50 0.01 0.64 -0.36 -0.54 0.00 0.00 174.62 174.87 2fed s PHE 97 N 0.29 3.10 0.31 3.99 0.08 -1.26 -2.07 117.98 122.42 2fed s PHE 97 Ca -0.01 0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 2fed s PHE 97 Cb -0.03 -2.34 0.07 0.00 -0.57 0.00 0.00 43.02 40.15 2fed s PHE 97 CO -0.01 -0.39 0.42 0.41 -0.10 0.00 0.00 175.22 175.55 2fed n GLY 98 N -2.03 -0.85 0.08 4.36 0.00 0.38 -4.35 105.19 102.80 2fed n GLY 98 Ca 0.03 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.32 2fed n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fed n GLY 99 N 2.19 -1.16 0.00 -0.02 0.00 -1.26 -4.82 105.19 100.13 2fed n GLY 99 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2fed n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fed n GLY 100 N 1.41 3.27 2.61 -0.02 0.00 -1.26 -5.02 105.19 106.18 2fed n GLY 100 Ca -0.11 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 2fed n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fed s THR 101 N -2.76 -0.15 -0.48 2.61 2.01 -1.03 -4.45 115.64 111.38 2fed s THR 101 Ca 0.00 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 60.84 2fed s THR 101 Cb 0.00 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2fed s THR 101 CO 0.00 -0.69 1.56 -0.75 -0.69 0.00 0.00 174.62 174.05 2fed s LYS 102 N 1.92 3.27 -0.24 4.92 2.20 -0.61 -2.35 119.74 128.86 2fed s LYS 102 Ca 0.11 0.80 -0.24 0.00 -0.36 0.00 0.00 55.97 56.28 2fed s LYS 102 Cb -0.17 -4.16 -0.01 0.00 -1.51 0.00 0.00 37.83 31.99 2fed s LYS 102 CO -0.26 -1.95 0.79 -1.17 -0.36 0.00 0.00 175.35 172.40 2fed s LEU 103 N 6.55 4.09 0.02 5.43 2.96 -0.26 -0.56 118.68 136.90 2fed s LEU 103 Ca 0.62 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.57 2fed s LEU 103 Cb -0.14 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 2fed s LEU 103 CO 0.28 -0.48 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.13 2fed s GLU 104 N 2.72 2.41 -0.19 1.98 2.02 0.24 -3.68 118.70 124.19 2fed s GLU 104 Ca 0.34 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 2fed s GLU 104 Cb -0.15 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2fed s GLU 104 CO 0.08 0.58 0.07 0.42 0.02 0.00 0.00 175.26 176.43 2fed s ILE 105 N -1.01 4.85 -0.13 -1.63 -1.09 -1.26 -2.23 121.20 118.70 2fed s ILE 105 Ca 0.17 -0.01 -0.21 0.00 -2.23 0.00 0.00 60.65 58.38 2fed s ILE 105 Cb -0.11 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2fed s ILE 105 CO 0.08 0.45 0.60 -0.76 -1.23 0.00 0.00 174.94 174.07 2fed s LEU 106 N 0.46 4.24 0.36 2.97 1.43 -0.66 -4.94 118.68 122.54 2fed s LEU 106 Ca 0.04 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 2fed s LEU 106 Cb -0.12 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2fed s LEU 106 CO 0.00 -0.13 0.23 0.00 0.23 0.00 0.00 176.35 176.69 2fed s ARG 107 N 1.12 1.82 1.12 1.70 1.70 -1.26 -4.26 118.95 120.89 2fed s ARG 107 Ca 0.30 -2.08 -0.16 0.00 -0.47 0.00 0.00 55.73 53.33 2fed s ARG 107 Cb -0.16 0.03 0.25 0.00 -0.57 0.00 0.00 34.95 34.50 2fed s ARG 107 CO 0.13 -0.60 1.08 0.00 -1.08 0.00 0.00 175.30 174.83 2fed s ALA 108 N -3.37 0.55 0.66 7.88 0.00 -1.26 -4.97 121.76 121.24 2fed s ALA 108 Ca 0.35 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 2fed s ALA 108 Cb 0.02 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 2fed s ALA 108 CO 0.23 -3.35 1.10 -0.51 0.00 0.00 0.00 175.76 173.23 2fed s ASP 109 N -3.53 5.16 -0.27 0.00 1.01 -1.26 -4.81 116.67 112.98 2fed s ASP 109 Ca 0.68 1.96 -0.02 0.00 0.71 0.00 0.00 52.55 55.88 2fed s ASP 109 Cb -0.15 -2.55 0.16 0.00 1.01 0.00 0.00 42.92 41.39 2fed s ASP 109 CO 0.58 -1.59 0.46 0.00 0.21 0.00 0.00 175.17 174.83 2fed s ALA 110 N -2.40 -1.55 0.19 5.23 0.00 -0.82 -4.87 121.76 117.54 2fed s ALA 110 Ca 0.66 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 2fed s ALA 110 Cb -0.20 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 2fed s ALA 110 CO 0.42 -1.31 1.32 0.00 0.00 0.00 0.00 175.76 176.19 2fed s ALA 111 N 2.67 3.53 0.52 0.00 0.00 -1.26 -0.68 121.76 126.53 2fed s ALA 111 Ca 0.16 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 2fed s ALA 111 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2fed s ALA 111 CO -0.18 -0.55 1.19 -1.25 0.00 0.00 0.00 175.76 174.97 2fed s PRO 112 N -0.01 3.43 -0.37 0.00 0.04 -1.26 -4.70 135.00 132.12 2fed s PRO 112 Ca 0.57 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 2fed s PRO 112 Cb -0.37 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 31.99 2fed s PRO 112 CO 0.38 -0.84 0.22 0.99 0.04 0.00 0.00 177.00 177.78 2fed s THR 113 N -1.57 4.68 -0.12 1.26 2.01 -0.23 -4.86 115.64 116.82 2fed s THR 113 Ca 0.69 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 2fed s THR 113 Cb -0.30 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2fed s THR 113 CO 0.35 -0.22 0.44 -0.69 -0.69 0.00 0.00 174.62 173.81 2fed s VAL 114 N 1.58 5.20 -0.08 3.82 1.01 -1.26 -1.82 120.40 128.85 2fed s VAL 114 Ca 0.03 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 2fed s VAL 114 Cb -0.19 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2fed s VAL 114 CO 0.07 0.36 -0.05 -0.44 0.00 0.00 0.00 175.10 175.04 2fed s SER 115 N 0.47 1.68 -0.10 3.32 0.01 -0.05 -4.97 113.70 114.06 2fed s SER 115 Ca 0.24 -0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.26 2fed s SER 115 Cb -0.15 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 2fed s SER 115 CO 0.09 -0.12 0.13 -0.51 0.41 0.00 0.00 173.24 173.25 2fed s ILE 116 N 1.55 5.38 -0.05 1.44 1.10 -1.26 -0.89 121.20 128.47 2fed s ILE 116 Ca -0.00 0.10 -0.01 0.00 -0.51 0.00 0.00 60.65 60.24 2fed s ILE 116 Cb -0.13 -3.36 0.03 0.00 0.15 0.00 0.00 42.46 39.14 2fed s ILE 116 CO -0.04 0.57 0.01 -0.36 -2.11 0.00 0.00 174.94 173.00 2fed s PHE 117 N -1.06 0.45 0.49 3.50 0.40 0.76 -5.00 117.98 117.51 2fed s PHE 117 Ca 0.17 -0.04 -0.19 0.00 -0.60 0.00 0.00 56.93 56.26 2fed s PHE 117 Cb -0.12 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.73 2fed s PHE 117 CO 0.06 -0.22 1.01 -2.14 0.70 0.00 0.00 175.22 174.63 2fed s PRO 118 N 1.56 3.89 0.23 0.24 0.02 -1.26 -1.66 135.00 138.01 2fed s PRO 118 Ca -0.02 1.21 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 2fed s PRO 118 Cb -0.13 -2.12 -0.14 0.00 0.02 0.00 0.00 34.50 32.14 2fed s PRO 118 CO -0.03 -0.34 1.35 -2.30 -0.33 0.00 0.00 177.00 175.36 2fed n PRO 119 N -1.09 1.87 -1.89 5.54 -0.02 -1.21 -4.88 135.00 133.33 2fed n PRO 119 Ca 0.08 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 2fed n PRO 119 Cb 0.53 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2fed n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2fed s SER 120 N 0.21 5.33 0.34 2.55 1.04 -1.26 -4.91 113.70 117.00 2fed s SER 120 Ca 0.68 2.00 0.26 0.00 0.48 0.00 0.00 55.95 59.38 2fed s SER 120 Cb -0.68 -2.55 1.13 0.00 0.10 0.00 0.00 66.02 64.01 2fed s SER 120 CO 0.51 -1.48 1.79 0.77 0.98 0.00 0.00 173.24 175.81 2fed h SER 121 N 0.30 0.00 -0.15 7.02 4.64 -1.99 -1.78 113.55 121.60 2fed h SER 121 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 2fed h SER 121 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2fed h SER 121 CO 0.55 0.00 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.15 2fed h GLU 122 N 0.00 0.28 0.00 4.77 3.07 -1.98 -2.87 114.58 117.85 2fed h GLU 122 Ca 0.00 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 2fed h GLU 122 Cb 0.36 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2fed h GLU 122 CO 0.00 0.56 -0.24 0.37 -1.40 0.00 0.00 179.01 178.30 2fed h GLN 123 N -0.01 0.00 0.00 2.33 4.15 -1.68 -2.04 115.11 117.85 2fed h GLN 123 Ca 0.04 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 2fed h GLN 123 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2fed h GLN 123 CO 0.01 0.24 -0.63 -0.07 -1.93 0.00 0.00 178.83 176.45 2fed h LEU 124 N 0.00 0.00 -0.20 -2.39 3.38 -1.44 -1.95 115.31 112.71 2fed h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fed h LEU 124 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2fed h LEU 124 CO 0.03 0.63 0.00 0.41 0.09 0.00 0.00 178.44 179.60 2fed n THR 125 N -3.74 0.00 0.05 0.22 -1.04 -0.78 -3.01 114.28 105.99 2fed n THR 125 Ca -0.01 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.01 2fed n THR 125 Cb 0.63 -0.10 -0.01 0.00 -1.82 0.00 0.00 70.33 69.03 2fed n THR 125 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2fed n SER 126 N -0.40 0.74 0.00 8.00 7.64 -0.75 -5.02 113.62 123.83 2fed n SER 126 Ca 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.43 2fed n SER 126 Cb 0.05 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 2fed n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fed n GLY 127 N 1.24 3.09 3.90 0.23 0.00 -1.11 -5.04 105.19 107.50 2fed n GLY 127 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2fed n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fed s GLY 128 N -2.28 1.60 -0.25 -0.02 0.00 -1.21 0.14 107.32 105.31 2fed s GLY 128 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 44.72 44.03 2fed s GLY 128 CO 0.00 -0.19 0.45 0.00 0.00 0.00 0.00 173.10 173.36 2fed s ALA 129 N -3.52 -1.44 -0.16 3.20 0.00 -1.03 -4.12 121.76 114.69 2fed s ALA 129 Ca 0.61 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.86 2fed s ALA 129 Cb -0.11 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.26 2fed s ALA 129 CO 0.49 -1.21 -0.20 -1.12 0.00 0.00 0.00 175.76 173.72 2fed s SER 130 N 2.65 3.06 -0.32 0.00 0.01 -1.26 -0.26 113.70 117.59 2fed s SER 130 Ca 0.13 -0.62 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 2fed s SER 130 Cb -0.15 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 2fed s SER 130 CO -0.17 0.02 0.28 -0.69 0.41 0.00 0.00 173.24 173.09 2fed s VAL 131 N 1.18 5.24 -0.14 3.43 1.01 0.13 -3.30 120.40 127.96 2fed s VAL 131 Ca 0.02 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2fed s VAL 131 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2fed s VAL 131 CO -0.10 0.05 0.08 -0.69 0.00 0.00 0.00 175.10 174.44 2fed s VAL 132 N 1.86 4.95 -0.28 2.92 1.01 -0.66 -1.01 120.40 129.19 2fed s VAL 132 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2fed s VAL 132 Cb -0.17 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.13 2fed s VAL 132 CO 0.11 0.55 0.08 0.00 0.00 0.00 0.00 175.10 175.84 2fed s PHE 134 N 1.76 3.87 -0.26 0.00 0.08 -0.07 -2.22 117.98 121.14 2fed s PHE 134 Ca 0.07 1.86 -0.01 0.00 0.12 0.00 0.00 56.93 58.97 2fed s PHE 134 Cb -0.17 -3.03 0.08 0.00 -0.57 0.00 0.00 43.02 39.33 2fed s PHE 134 CO -0.22 0.22 0.05 -0.51 -0.10 0.00 0.00 175.22 174.66 2fed s LEU 135 N -1.34 2.16 -0.07 -0.37 1.43 0.36 -0.87 118.68 119.98 2fed s LEU 135 Ca 0.43 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 2fed s LEU 135 Cb -0.26 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2fed s LEU 135 CO 0.33 -0.35 -0.09 0.20 0.23 0.00 0.00 176.35 176.68 2fed s ASN 136 N 1.60 4.50 -0.46 2.29 0.02 -0.76 0.58 114.94 122.71 2fed s ASN 136 Ca 0.04 -0.07 -0.07 0.00 -1.02 0.00 0.00 52.86 51.74 2fed s ASN 136 Cb -0.18 -1.12 0.01 0.00 0.02 0.00 0.00 41.25 39.98 2fed s ASN 136 CO -0.16 0.35 0.52 0.59 0.02 0.00 0.00 177.10 178.42 2fed n ASN 137 N 2.31 -6.71 -4.10 -1.22 3.02 0.12 -1.07 115.26 107.61 2fed n ASN 137 Ca -0.18 0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 54.41 2fed n ASN 137 Cb 0.53 -4.49 -0.12 0.00 -0.61 0.00 0.00 39.78 35.09 2fed n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2fed s PHE 138 N -2.64 0.90 -0.02 3.10 -0.12 0.81 -4.05 117.98 115.95 2fed s PHE 138 Ca 0.10 -0.43 -0.01 0.00 -0.05 0.00 0.00 56.93 56.54 2fed s PHE 138 Cb -0.03 -0.53 0.02 0.00 -0.63 0.00 0.00 43.02 41.86 2fed s PHE 138 CO 0.61 -0.02 0.05 -0.47 -0.05 0.00 0.00 175.22 175.34 2fed s TYR 139 N -1.17 -0.03 0.89 3.49 6.14 0.14 -0.78 117.35 126.03 2fed s TYR 139 Ca -0.05 0.17 -0.15 0.00 0.64 0.00 0.00 57.07 57.68 2fed s TYR 139 Cb -0.09 -0.10 0.21 0.00 0.42 0.00 0.00 41.96 42.40 2fed s TYR 139 CO 0.01 -0.07 1.05 -2.30 0.64 0.00 0.00 175.55 174.88 2fed n PRO 140 N 3.69 -1.62 0.12 4.97 -0.02 -1.26 -1.95 135.00 138.92 2fed n PRO 140 Ca -0.21 -1.64 -0.00 0.00 -2.02 0.00 0.00 63.50 59.63 2fed n PRO 140 Cb 0.55 -1.22 0.29 0.00 -0.02 0.00 0.00 33.50 33.10 2fed n PRO 140 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2fed h LYS 141 N 0.00 0.20 -6.28 -0.52 2.10 -1.98 -3.44 116.57 106.64 2fed h LYS 141 Ca -0.36 -0.08 -0.55 0.00 -2.00 0.00 0.00 60.65 57.67 2fed h LYS 141 Cb 1.01 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 2fed h LYS 141 CO 0.25 0.51 1.05 -0.51 -2.00 0.00 0.00 179.45 178.74 2fed s ASP 142 N -6.89 6.69 -0.02 7.07 1.01 -1.26 -4.99 116.67 118.28 2fed s ASP 142 Ca -0.04 2.23 -0.08 0.00 0.71 0.00 0.00 52.55 55.37 2fed s ASP 142 Cb 0.14 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2fed s ASP 142 CO 0.75 -0.90 0.17 -0.51 0.21 0.00 0.00 175.17 174.89 2fed s ILE 143 N 3.75 0.05 -0.19 0.77 2.07 -1.26 -4.67 121.20 121.72 2fed s ILE 143 Ca 0.72 -0.43 -0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2fed s ILE 143 Cb -0.33 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 41.88 2fed s ILE 143 CO 0.29 -0.24 -0.15 0.20 -1.91 0.00 0.00 174.94 173.13 2fed s ASN 144 N -0.86 3.48 0.34 4.50 0.01 -0.89 -5.00 114.94 116.52 2fed s ASN 144 Ca -0.09 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 2fed s ASN 144 Cb -0.05 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 40.02 2fed s ASN 144 CO 0.01 -0.01 0.54 0.54 -1.51 0.00 0.00 177.10 176.68 2fed s VAL 145 N 1.34 5.11 -0.23 1.60 0.11 -1.26 -1.07 120.40 126.00 2fed s VAL 145 Ca 0.05 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.47 2fed s VAL 145 Cb -0.13 -3.86 0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2fed s VAL 145 CO -0.10 -0.55 0.59 -0.75 -3.33 0.00 0.00 175.10 170.96 2fed s LYS 146 N -4.28 0.64 -0.12 1.54 2.20 0.40 -4.95 119.74 115.17 2fed s LYS 146 Ca 0.40 0.93 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2fed s LYS 146 Cb -0.10 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2fed s LYS 146 CO 0.36 -0.12 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.50 2fed s TRP 147 N 0.88 2.02 -0.44 4.03 0.52 -1.26 0.53 118.94 125.22 2fed s TRP 147 Ca -0.05 -1.00 0.03 0.00 0.02 0.00 0.00 56.10 55.10 2fed s TRP 147 Cb -0.05 -1.47 0.13 0.00 -1.15 0.00 0.00 33.47 30.93 2fed s TRP 147 CO -0.07 -0.53 0.21 0.15 0.02 0.00 0.00 176.95 176.73 2fed s LYS 148 N 1.12 1.50 -0.24 4.98 1.02 -0.97 0.16 119.74 127.30 2fed s LYS 148 Ca -0.04 -2.12 -0.29 0.00 0.02 0.00 0.00 55.97 53.54 2fed s LYS 148 Cb -0.14 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2fed s LYS 148 CO -0.04 -1.10 1.19 0.42 -0.92 0.00 0.00 175.35 174.90 2fed s ILE 149 N 0.30 4.37 -1.50 2.17 1.01 -0.15 -2.22 121.20 125.18 2fed s ILE 149 Ca 0.16 1.62 -0.13 0.00 0.00 0.00 0.00 60.65 62.29 2fed s ILE 149 Cb -0.24 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.15 2fed s ILE 149 CO -0.03 -0.29 0.79 0.47 0.00 0.00 0.00 174.94 175.88 2fed n ASP 150 N 6.85 -4.32 0.00 3.58 10.43 0.49 -1.17 116.55 132.40 2fed n ASP 150 Ca 0.13 -0.69 0.00 0.00 2.57 0.00 0.00 54.79 56.81 2fed n ASP 150 Cb 0.46 -3.50 0.00 0.00 1.84 0.00 0.00 41.12 39.92 2fed n ASP 150 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2fed n GLY 151 N -1.48 2.04 3.73 0.44 0.00 -1.24 -5.00 105.19 103.68 2fed n GLY 151 Ca 0.03 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2fed n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fed s SER 152 N 0.00 6.77 0.37 1.61 0.15 -0.32 -4.82 113.70 117.46 2fed s SER 152 Ca 0.00 2.48 -0.27 0.00 0.70 0.00 0.00 55.95 58.86 2fed s SER 152 Cb 0.00 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 2fed s SER 152 CO 0.00 -0.64 1.31 -0.70 1.20 0.00 0.00 173.24 174.41 2fed s GLU 153 N 0.25 4.15 -0.04 5.44 2.12 -1.26 -0.97 118.70 128.38 2fed s GLU 153 Ca 0.61 2.20 0.03 0.00 0.36 0.00 0.00 54.97 58.17 2fed s GLU 153 Cb -0.39 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2fed s GLU 153 CO 0.37 -0.36 -0.13 0.50 -0.54 0.00 0.00 175.26 175.11 2fed s ARG 154 N -2.04 1.42 0.00 4.30 6.06 0.12 -4.85 118.95 123.97 2fed s ARG 154 Ca 0.53 -0.44 0.00 0.00 -2.50 0.00 0.00 55.73 53.32 2fed s ARG 154 Cb -0.39 -1.25 0.00 0.00 0.06 0.00 0.00 34.95 33.37 2fed s ARG 154 CO 0.51 0.14 0.66 1.04 -2.50 0.00 0.00 175.30 175.16 2fed n GLN 155 N 3.36 0.00 -0.72 5.12 6.02 -1.26 -4.26 117.38 125.63 2fed n GLN 155 Ca -0.19 -0.54 -0.05 0.00 -0.01 0.00 0.00 57.00 56.20 2fed n GLN 155 Cb 0.53 -0.32 -0.07 0.00 1.02 0.00 0.00 30.24 31.40 2fed n GLN 155 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2fed n ASN 156 N 0.00 5.34 0.00 1.08 4.13 -1.26 -4.35 115.26 120.21 2fed n ASN 156 Ca 0.00 -2.46 0.00 0.00 1.68 0.00 0.00 54.58 53.80 2fed n ASN 156 Cb 0.59 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 2fed n ASN 156 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2fed n GLY 157 N 1.87 0.80 3.81 7.41 0.00 -1.26 -4.99 105.19 112.83 2fed n GLY 157 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2fed n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fed s VAL 158 N -0.58 3.93 -0.10 1.61 1.01 -1.26 -4.17 120.40 120.84 2fed s VAL 158 Ca 0.00 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2fed s VAL 158 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2fed s VAL 158 CO 0.00 -0.55 -0.13 -0.76 0.00 0.00 0.00 175.10 173.66 2fed s LEU 159 N -4.47 1.60 -0.05 3.92 1.43 -0.87 -4.98 118.68 115.25 2fed s LEU 159 Ca 0.63 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2fed s LEU 159 Cb -0.15 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2fed s LEU 159 CO 0.37 -0.01 0.06 0.20 0.23 0.00 0.00 176.35 177.20 2fed s ASN 160 N 1.07 5.61 -0.12 2.29 0.01 -1.26 -1.70 114.94 120.83 2fed s ASN 160 Ca -0.06 0.19 -0.06 0.00 -0.71 0.00 0.00 52.86 52.22 2fed s ASN 160 Cb -0.15 -1.63 0.06 0.00 0.41 0.00 0.00 41.25 39.94 2fed s ASN 160 CO -0.02 0.33 0.28 -0.55 -1.51 0.00 0.00 177.10 175.63 2fed s SER 161 N -1.31 -0.11 0.07 -1.22 0.15 -0.34 -5.01 113.70 105.92 2fed s SER 161 Ca 0.18 0.61 0.05 0.00 0.70 0.00 0.00 55.95 57.49 2fed s SER 161 Cb -0.12 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 2fed s SER 161 CO 0.08 -0.19 -0.04 0.26 1.20 0.00 0.00 173.24 174.54 2fed s TRP 162 N 1.68 2.91 0.73 3.44 0.51 -1.26 -0.45 118.94 126.49 2fed s TRP 162 Ca -0.06 -0.06 -0.12 0.00 -2.12 0.00 0.00 56.10 53.75 2fed s TRP 162 Cb -0.11 -1.53 0.03 0.00 -0.81 0.00 0.00 33.47 31.05 2fed s TRP 162 CO -0.09 0.44 1.11 0.95 -0.51 0.00 0.00 176.95 178.85 2fed s THR 163 N -1.20 3.25 1.00 2.01 -4.23 -0.15 -5.00 115.64 111.33 2fed s THR 163 Ca 0.22 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 2fed s THR 163 Cb -0.11 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2fed s THR 163 CO 0.14 -0.53 1.08 -1.81 -0.54 0.00 0.00 174.62 172.96 2fed s ASP 164 N -4.36 2.47 0.31 3.99 -0.00 -1.26 -4.69 116.67 113.13 2fed s ASP 164 Ca 0.59 1.48 -0.29 0.00 -0.00 0.00 0.00 52.55 54.33 2fed s ASP 164 Cb -0.11 -2.16 -0.11 0.00 -0.00 0.00 0.00 42.92 40.54 2fed s ASP 164 CO 0.52 -3.27 1.49 -1.58 -0.00 0.00 0.00 175.17 172.33 2fed s GLN 165 N -4.78 4.18 0.33 8.23 0.74 -1.26 -4.76 119.66 122.35 2fed s GLN 165 Ca 0.66 2.47 -0.27 0.00 0.05 0.00 0.00 55.36 58.26 2fed s GLN 165 Cb -0.21 -3.03 -0.09 0.00 1.10 0.00 0.00 33.01 30.78 2fed s GLN 165 CO 0.59 -0.50 1.07 0.34 -0.55 0.00 0.00 175.29 176.25 2fed s ASP 166 N 0.15 7.04 0.38 6.67 -1.08 -0.94 -4.90 116.67 123.99 2fed s ASP 166 Ca 0.57 2.16 0.27 0.00 -0.52 0.00 0.00 52.55 55.03 2fed s ASP 166 Cb -0.45 -2.61 0.94 0.00 -1.46 0.00 0.00 42.92 39.35 2fed s ASP 166 CO 0.52 -0.30 1.79 0.28 0.52 0.00 0.00 175.17 177.99 2fed h SER 167 N 3.22 0.00 0.00 -0.34 0.02 -1.89 -2.40 113.55 112.17 2fed h SER 167 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 2fed h SER 167 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2fed h SER 167 CO 0.65 0.00 -1.07 0.29 -1.14 0.00 0.00 176.83 175.55 2fed n LYS 168 N -2.69 1.41 0.00 3.45 4.01 -1.26 -3.66 118.16 119.41 2fed n LYS 168 Ca 0.03 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.89 2fed n LYS 168 Cb 0.35 -1.03 0.01 0.00 -0.51 0.00 0.00 35.03 33.86 2fed n LYS 168 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2fed n ASP 169 N -2.36 1.59 -2.00 4.39 5.68 -1.26 -4.90 116.55 117.69 2fed n ASP 169 Ca -0.02 -1.29 -0.14 0.00 -0.50 0.00 0.00 54.79 52.83 2fed n ASP 169 Cb 0.53 0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.82 2fed n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2fed n SER 170 N 0.06 -4.12 -4.93 -1.12 7.64 -0.90 -4.97 113.62 105.28 2fed n SER 170 Ca 0.06 0.24 -0.21 0.00 1.01 0.00 0.00 58.87 59.97 2fed n SER 170 Cb 0.28 -3.61 -0.02 0.00 -1.01 0.00 0.00 64.21 59.85 2fed n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fed s THR 171 N -2.50 4.78 0.33 0.44 -4.23 -1.26 -4.67 115.64 108.53 2fed s THR 171 Ca 0.00 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 2fed s THR 171 Cb 0.00 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 2fed s THR 171 CO 0.00 -0.30 0.37 -0.31 -0.54 0.00 0.00 174.62 173.84 2fed s TYR 172 N -2.07 2.99 -0.01 3.99 1.51 0.04 -2.20 117.35 121.61 2fed s TYR 172 Ca 0.36 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.04 2fed s TYR 172 Cb -0.09 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 2fed s TYR 172 CO 0.28 0.11 0.22 -1.12 -1.11 0.00 0.00 175.55 173.93 2fed s SER 173 N -4.07 -0.08 0.04 2.29 0.01 -1.26 -0.14 113.70 110.49 2fed s SER 173 Ca 0.43 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.64 2fed s SER 173 Cb -0.07 0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 2fed s SER 173 CO 0.28 -0.40 -0.07 -0.32 0.41 0.00 0.00 173.24 173.14 2fed s MET 174 N -1.35 0.48 -0.05 12.44 1.75 0.20 -0.98 119.30 131.79 2fed s MET 174 Ca -0.14 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.61 2fed s MET 174 Cb -0.06 -0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.41 2fed s MET 174 CO 0.03 0.03 -0.17 -1.54 -0.65 0.00 0.00 175.02 172.72 2fed s SER 175 N -1.55 2.14 -0.05 1.11 1.04 0.40 -0.48 113.70 116.31 2fed s SER 175 Ca -0.11 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.02 2fed s SER 175 Cb -0.10 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 2fed s SER 175 CO 0.00 0.13 -0.24 -0.55 0.98 0.00 0.00 173.24 173.55 2fed s SER 176 N 0.21 2.97 -0.11 7.02 0.15 -0.94 -1.20 113.70 121.80 2fed s SER 176 Ca -0.08 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.07 2fed s SER 176 Cb -0.13 -0.71 0.04 0.00 -1.71 0.00 0.00 66.02 63.51 2fed s SER 176 CO 0.03 0.25 0.02 -0.89 1.20 0.00 0.00 173.24 173.85 2fed s THR 177 N -0.25 0.37 -0.10 6.45 2.01 -0.69 -1.14 115.64 122.30 2fed s THR 177 Ca -0.01 -0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 2fed s THR 177 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2fed s THR 177 CO 0.03 0.09 0.54 -0.22 -0.69 0.00 0.00 174.62 174.37 2fed s LEU 178 N 1.96 4.30 -0.14 4.42 2.96 -0.18 -2.06 118.68 129.93 2fed s LEU 178 Ca 0.03 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 2fed s LEU 178 Cb -0.14 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.74 2fed s LEU 178 CO -0.06 -0.02 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.88 2fed s THR 179 N 0.62 2.57 0.00 3.68 2.01 -1.26 -0.70 115.64 122.57 2fed s THR 179 Ca 0.29 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2fed s THR 179 Cb -0.16 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 2fed s THR 179 CO 0.13 0.53 0.00 0.18 -0.69 0.00 0.00 174.62 174.77 2fed n LEU 180 N 3.89 0.00 -4.98 4.42 4.77 0.65 -4.94 117.00 120.81 2fed n LEU 180 Ca -0.19 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.55 2fed n LEU 180 Cb 0.52 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2fed n LEU 180 CO 0.29 -0.01 0.20 0.42 -1.33 0.00 0.00 177.39 176.96 2fed s THR 181 N -1.84 2.24 0.06 -5.08 -4.23 -1.26 -2.46 115.64 103.07 2fed s THR 181 Ca 0.00 -1.16 -0.31 0.00 -1.18 0.00 0.00 61.69 59.05 2fed s THR 181 Cb 0.00 -2.40 -0.18 0.00 1.34 0.00 0.00 72.50 71.26 2fed s THR 181 CO 0.00 0.00 1.57 0.50 -0.54 0.00 0.00 174.62 176.15 2fed h LYS 182 N 0.50 -0.72 -0.27 3.99 3.64 -0.51 -0.98 116.57 122.22 2fed h LYS 182 Ca -0.35 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.97 2fed h LYS 182 Cb 1.29 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2fed h LYS 182 CO 0.47 -0.46 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.46 2fed h ASP 183 N -0.80 0.56 -0.10 4.20 3.45 -1.96 0.12 116.42 121.88 2fed h ASP 183 Ca -0.08 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.18 2fed h ASP 183 Cb 0.60 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 2fed h ASP 183 CO 0.13 0.83 0.07 -0.08 -1.57 0.00 0.00 179.24 178.61 2fed h GLU 184 N 0.47 0.13 -0.38 3.56 4.57 -1.95 0.66 114.58 121.65 2fed h GLU 184 Ca 0.06 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2fed h GLU 184 Cb 0.75 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 2fed h GLU 184 CO 0.06 0.10 0.21 -0.92 -1.18 0.00 0.00 179.01 177.28 2fed h TYR 185 N 0.13 0.51 0.00 0.92 3.20 -0.92 -3.06 116.97 117.74 2fed h TYR 185 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2fed h TYR 185 Cb -0.01 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2fed h TYR 185 CO -0.07 0.39 0.00 0.39 -1.64 0.00 0.00 178.16 177.23 2fed n GLU 186 N -4.76 0.09 -0.95 1.82 1.02 0.01 -2.08 120.64 115.78 2fed n GLU 186 Ca -0.00 0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2fed n GLU 186 Cb 0.07 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.20 2fed n GLU 186 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2fed n ARG 187 N -1.44 2.72 -4.06 3.49 1.85 0.19 -4.90 116.66 114.50 2fed n ARG 187 Ca 0.07 -2.56 -0.10 0.00 -1.00 0.00 0.00 57.85 54.25 2fed n ARG 187 Cb 0.24 -2.04 -0.08 0.00 -1.05 0.00 0.00 32.46 29.53 2fed n ARG 187 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2fed s HIS 188 N -2.68 0.67 0.00 2.89 3.76 -0.88 -5.05 115.29 113.99 2fed s HIS 188 Ca 0.47 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2fed s HIS 188 Cb 0.39 -0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.88 2fed s HIS 188 CO 0.10 -0.74 0.00 -1.71 -0.85 0.00 0.00 174.74 171.54 2fed n ASN 189 N -0.26 1.43 -4.10 1.40 2.85 -1.26 -4.95 115.26 110.36 2fed n ASN 189 Ca -0.03 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.11 2fed n ASN 189 Cb 0.64 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.50 2fed n ASN 189 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2fed s SER 190 N -4.44 3.54 -0.04 1.20 0.15 -1.26 -1.70 113.70 111.15 2fed s SER 190 Ca 0.00 -0.88 0.01 0.00 0.70 0.00 0.00 55.95 55.77 2fed s SER 190 Cb 0.00 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 2fed s SER 190 CO 0.00 -0.06 -0.04 -0.31 1.20 0.00 0.00 173.24 174.03 2fed s TYR 191 N 1.23 3.01 0.08 3.44 1.51 -0.63 0.18 117.35 126.18 2fed s TYR 191 Ca 0.01 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2fed s TYR 191 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2fed s TYR 191 CO -0.10 0.40 -0.08 0.95 -1.11 0.00 0.00 175.55 175.61 2fed s THR 192 N -0.93 0.71 -0.15 -0.71 -4.23 -0.94 -0.72 115.64 108.67 2fed s THR 192 Ca 0.15 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2fed s THR 192 Cb -0.11 -1.35 0.04 0.00 1.34 0.00 0.00 72.50 72.41 2fed s THR 192 CO 0.05 -0.69 -0.05 0.00 -0.54 0.00 0.00 174.62 173.38 2fed s GLU 194 N 1.68 3.61 -0.17 0.00 2.02 0.19 -1.54 118.70 124.49 2fed s GLU 194 Ca 0.02 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2fed s GLU 194 Cb -0.14 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 2fed s GLU 194 CO -0.08 -0.11 -0.11 0.00 0.02 0.00 0.00 175.26 174.99 2fed s ALA 195 N 1.34 2.66 -0.23 5.21 0.00 0.96 -0.45 121.76 131.25 2fed s ALA 195 Ca 0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2fed s ALA 195 Cb -0.15 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.61 2fed s ALA 195 CO 0.02 -0.07 -0.10 0.99 0.00 0.00 0.00 175.76 176.60 2fed s THR 196 N 0.87 2.61 0.05 0.00 2.01 -0.24 -1.04 115.64 119.90 2fed s THR 196 Ca -0.03 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.95 2fed s THR 196 Cb -0.15 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2fed s THR 196 CO 0.00 0.28 -0.06 -2.28 -0.69 0.00 0.00 174.62 171.86 2fed s HIS 197 N 1.30 0.61 0.33 4.92 2.46 -1.26 -2.09 115.29 121.56 2fed s HIS 197 Ca 0.01 -0.60 0.11 0.00 0.47 0.00 0.00 55.06 55.05 2fed s HIS 197 Cb -0.16 -0.38 1.03 0.00 -0.13 0.00 0.00 32.58 32.94 2fed s HIS 197 CO -0.07 -0.13 1.60 -0.22 -2.47 0.00 0.00 174.74 173.45 2fed h LYS 198 N 4.23 0.09 -0.23 2.88 3.64 -1.93 -2.23 116.57 123.02 2fed h LYS 198 Ca -0.35 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 2fed h LYS 198 Cb 1.19 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2fed h LYS 198 CO 0.46 0.06 0.10 1.79 -2.27 0.00 0.00 179.45 179.59 2fed h THR 199 N 0.09 1.09 -3.34 1.00 1.35 -1.94 -3.41 112.91 107.75 2fed h THR 199 Ca 0.71 -0.25 -0.42 0.00 -0.55 0.00 0.00 66.41 65.90 2fed h THR 199 Cb 1.67 0.80 -0.36 0.00 -1.73 0.00 0.00 68.15 68.53 2fed h THR 199 CO -0.77 0.10 -0.77 -0.55 -0.25 0.00 0.00 175.52 173.28 2fed s SER 200 N -6.85 1.28 0.14 5.36 0.15 -0.84 -5.03 113.70 107.91 2fed s SER 200 Ca -0.07 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.32 2fed s SER 200 Cb 0.17 -0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2fed s SER 200 CO 0.71 -0.14 1.78 0.71 1.20 0.00 0.00 173.24 177.49 2fed h THR 201 N 6.27 1.10 -3.51 6.45 1.35 -1.81 -3.39 112.91 119.38 2fed h THR 201 Ca -0.27 -0.23 -0.60 0.00 -0.55 0.00 0.00 66.41 64.76 2fed h THR 201 Cb 1.13 0.66 -0.10 0.00 -1.73 0.00 0.00 68.15 68.12 2fed h THR 201 CO 0.34 0.10 0.54 -0.94 -0.25 0.00 0.00 175.52 175.32 2fed s SER 202 N -5.54 6.64 0.38 5.36 1.04 -1.26 -4.98 113.70 115.33 2fed s SER 202 Ca -0.13 0.50 -0.26 0.00 0.48 0.00 0.00 55.95 56.54 2fed s SER 202 Cb 0.10 -2.45 -0.11 0.00 0.10 0.00 0.00 66.02 63.66 2fed s SER 202 CO 0.72 -0.83 1.15 -0.81 0.98 0.00 0.00 173.24 174.44 2fed n PRO 203 N 6.70 1.70 -2.97 4.02 -0.04 -1.26 -4.97 135.00 138.18 2fed n PRO 203 Ca 0.06 0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 63.72 2fed n PRO 203 Cb 0.48 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.73 2fed n PRO 203 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fed s ILE 204 N -1.17 4.89 -0.02 0.52 1.01 -0.21 -4.88 121.20 121.35 2fed s ILE 204 Ca 0.60 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.90 2fed s ILE 204 Cb -0.57 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 37.77 2fed s ILE 204 CO 0.59 0.29 -0.15 0.68 0.00 0.00 0.00 174.94 176.35 2fed s VAL 205 N 0.46 1.17 -0.10 2.92 -7.23 -1.26 -0.03 120.40 116.33 2fed s VAL 205 Ca 0.40 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.96 2fed s VAL 205 Cb -0.19 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.79 2fed s VAL 205 CO 0.22 0.33 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.68 2fed s LYS 206 N -0.27 1.91 0.11 4.82 -0.14 -0.59 -4.98 119.74 120.61 2fed s LYS 206 Ca 0.04 -0.44 0.06 0.00 -1.36 0.00 0.00 55.97 54.27 2fed s LYS 206 Cb -0.06 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.35 2fed s LYS 206 CO -0.00 -0.11 -0.14 -1.54 -0.76 0.00 0.00 175.35 172.80 2fed s SER 207 N 1.14 1.95 0.01 2.83 1.04 -1.26 -0.39 113.70 119.02 2fed s SER 207 Ca -0.05 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2fed s SER 207 Cb -0.14 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 2fed s SER 207 CO -0.03 -0.13 0.03 0.72 0.98 0.00 0.00 173.24 174.81 2fed s PHE 208 N -2.01 0.18 -0.07 5.02 -0.12 0.10 -5.00 117.98 116.09 2fed s PHE 208 Ca 0.07 -0.39 0.03 0.00 -0.05 0.00 0.00 56.93 56.60 2fed s PHE 208 Cb -0.06 -0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.20 2fed s PHE 208 CO 0.03 -0.23 -0.16 -0.80 -0.05 0.00 0.00 175.22 174.02 2fed s ASN 209 N -1.43 2.13 0.20 1.98 0.01 -1.26 -1.60 114.94 114.97 2fed s ASN 209 Ca -0.16 -0.37 -0.10 0.00 -0.71 0.00 0.00 52.86 51.53 2fed s ASN 209 Cb -0.09 -0.89 0.24 0.00 0.41 0.00 0.00 41.25 40.91 2fed s ASN 209 CO -0.00 0.09 1.79 0.03 -1.51 0.00 0.00 177.10 177.49 2fed h ARG 210 N 6.74 0.56 0.00 -0.60 3.08 -1.70 -3.50 114.38 118.97 2fed h ARG 210 Ca -0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2fed h ARG 210 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2fed h ARG 210 CO 0.47 0.37 0.00 0.00 -1.07 0.00 0.00 179.97 179.75