#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gcf n SER 2 N 0.00 -1.98 -0.85 1.61 3.41 -1.26 -4.73 113.62 109.82 1gcf n SER 2 Ca 0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1gcf n SER 2 Cb 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1gcf n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gcf n SER 3 N 2.71 0.00 0.05 4.04 7.64 -1.26 -5.00 113.62 121.81 1gcf n SER 3 Ca 0.22 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 1gcf n SER 3 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1gcf n SER 3 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1gcf h LEU 4 N 0.00 -0.13 -8.58 -3.43 6.46 -2.06 -3.38 115.31 104.20 1gcf h LEU 4 Ca 0.00 0.01 -0.67 0.00 -0.12 0.00 0.00 57.88 57.10 1gcf h LEU 4 Cb 0.00 0.03 -0.17 0.00 -0.73 0.00 0.00 40.66 39.80 1gcf h LEU 4 CO 0.00 -0.09 -0.02 -1.61 -0.62 0.00 0.00 178.44 176.11 1gcf s GLU 5 N -3.32 3.23 0.63 1.25 2.02 -1.26 -5.05 118.70 116.20 1gcf s GLU 5 Ca -0.02 -0.51 -0.13 0.00 0.02 0.00 0.00 54.97 54.32 1gcf s GLU 5 Cb 0.00 -3.95 -0.02 0.00 0.10 0.00 0.00 34.13 30.26 1gcf s GLU 5 CO 0.06 -0.93 1.05 -1.25 0.02 0.00 0.00 175.26 174.21 1gcf s PRO 6 N 2.52 3.28 0.74 0.39 0.04 -1.26 -4.97 135.00 135.74 1gcf s PRO 6 Ca 0.18 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 1gcf s PRO 6 Cb -0.15 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1gcf s PRO 6 CO 0.16 -0.83 1.09 -1.25 0.04 0.00 0.00 177.00 176.21 1gcf s PRO 7 N -4.65 2.59 0.01 0.56 0.04 -1.26 -5.03 135.00 127.26 1gcf s PRO 7 Ca 0.59 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 1gcf s PRO 7 Cb -0.14 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1gcf s PRO 7 CO 0.46 -1.25 0.07 1.41 0.04 0.00 0.00 177.00 177.73 1gcf s MET 8 N -5.23 0.40 -0.04 4.56 1.75 -1.13 -5.04 119.30 114.58 1gcf s MET 8 Ca 0.59 -0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 54.57 1gcf s MET 8 Cb -0.13 0.16 0.03 0.00 2.84 0.00 0.00 34.83 37.74 1gcf s MET 8 CO 0.53 -0.09 0.07 -1.17 -0.65 0.00 0.00 175.02 173.71 1gcf s LEU 9 N -1.34 0.68 0.35 4.11 1.98 -1.26 -2.27 118.68 120.92 1gcf s LEU 9 Ca -0.14 0.12 0.06 0.00 -2.89 0.00 0.00 54.13 51.27 1gcf s LEU 9 Cb -0.08 0.01 -0.03 0.00 0.66 0.00 0.00 46.19 46.76 1gcf s LEU 9 CO 0.01 -0.17 0.23 0.00 -1.89 0.00 0.00 176.35 174.52 1gcf s GLN 10 N 1.48 1.79 0.00 1.98 -2.07 -0.74 -4.69 119.66 117.41 1gcf s GLN 10 Ca -0.04 -2.05 0.00 0.00 -1.82 0.00 0.00 55.36 51.44 1gcf s GLN 10 Cb -0.12 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.84 1gcf s GLN 10 CO -0.04 -0.59 0.00 0.00 -1.32 0.00 0.00 175.29 173.34 1gcf n ALA 11 N -0.70 0.00 -2.54 2.60 0.00 -1.26 -2.22 120.51 116.40 1gcf n ALA 11 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 1gcf n ALA 11 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 1gcf n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1gcf s LEU 12 N 0.00 2.76 -1.06 0.00 2.96 0.16 -4.53 118.68 118.97 1gcf s LEU 12 Ca 0.00 -1.15 -0.23 0.00 -0.22 0.00 0.00 54.13 52.53 1gcf s LEU 12 Cb 0.00 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1gcf s LEU 12 CO 0.00 -0.19 1.76 -1.81 -1.32 0.00 0.00 176.35 174.79 1gcf s ASP 13 N -3.62 5.81 0.24 3.68 1.11 -1.26 -4.85 116.67 117.78 1gcf s ASP 13 Ca 0.33 -1.41 0.10 0.00 0.18 0.00 0.00 52.55 51.75 1gcf s ASP 13 Cb 0.01 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1gcf s ASP 13 CO 0.17 -2.18 -0.10 -0.63 1.18 0.00 0.00 175.17 173.62 1gcf s ILE 14 N 7.75 3.05 0.00 0.77 -1.09 -1.26 -4.56 121.20 125.86 1gcf s ILE 14 Ca 0.60 -1.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1gcf s ILE 14 Cb -0.02 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1gcf s ILE 14 CO 0.01 -0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.04 1gcf n GLY 15 N -0.47 1.25 0.00 6.18 0.00 -1.26 -4.97 105.19 105.93 1gcf n GLY 15 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1gcf n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gcf n PRO 16 N 0.00 0.00 0.03 1.61 -0.04 -1.26 -4.77 135.00 130.56 1gcf n PRO 16 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1gcf n PRO 16 Cb 0.00 -0.06 -0.10 0.00 -0.04 0.00 0.00 33.50 33.30 1gcf n PRO 16 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gcf n ASP 17 N 0.00 0.41 -3.58 3.54 5.75 -1.26 -4.94 116.55 116.48 1gcf n ASP 17 Ca 0.00 0.17 -0.23 0.00 -0.01 0.00 0.00 54.79 54.71 1gcf n ASP 17 Cb 0.00 1.13 -0.04 0.00 -1.03 0.00 0.00 41.12 41.18 1gcf n ASP 17 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1gcf n VAL 18 N -2.53 -0.14 0.00 2.12 3.14 -1.26 -2.78 118.33 116.88 1gcf n VAL 18 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1gcf n VAL 18 Cb 0.65 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 1gcf n VAL 18 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1gcf n VAL 19 N -3.43 0.00 -1.75 1.55 0.31 -1.26 -4.78 118.33 108.97 1gcf n VAL 19 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1gcf n VAL 19 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1gcf n VAL 19 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1gcf n SER 20 N 4.15 0.28 -3.77 4.52 3.41 -1.12 -5.11 113.62 115.98 1gcf n SER 20 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1gcf n SER 20 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1gcf n SER 20 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1gcf s HIS 21 N 2.25 1.48 0.31 7.33 0.09 -1.26 -4.84 115.29 120.64 1gcf s HIS 21 Ca 0.00 -1.30 0.09 0.00 -0.00 0.00 0.00 55.06 53.84 1gcf s HIS 21 Cb 0.00 -1.35 -0.04 0.00 -0.00 0.00 0.00 32.58 31.19 1gcf s HIS 21 CO 0.00 -0.73 0.09 -0.65 -0.00 0.00 0.00 174.74 173.45 1gcf s GLN 22 N 1.70 2.37 -0.03 1.40 -0.21 -1.26 -5.01 119.66 118.63 1gcf s GLN 22 Ca 0.02 -1.47 -0.04 0.00 0.02 0.00 0.00 55.36 53.89 1gcf s GLN 22 Cb -0.17 -2.19 -0.17 0.00 1.00 0.00 0.00 33.01 31.48 1gcf s GLN 22 CO -0.13 0.23 3.11 -0.35 -2.12 0.00 0.00 175.29 176.02 1gcf n PRO 23 N -1.05 1.74 -0.36 2.91 -0.04 -1.26 -4.66 135.00 132.29 1gcf n PRO 23 Ca -0.05 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1gcf n PRO 23 Cb 0.60 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1gcf n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gcf n GLY 24 N 2.10 -0.68 3.20 0.55 0.00 -1.26 -4.94 105.19 104.17 1gcf n GLY 24 Ca 0.31 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1gcf n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gcf s LEU 26 N -2.06 2.54 -0.16 0.00 1.43 -0.52 -4.63 118.68 115.28 1gcf s LEU 26 Ca -0.05 -1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 51.57 1gcf s LEU 26 Cb -0.01 -1.02 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1gcf s LEU 26 CO -0.04 -1.02 0.37 0.26 0.23 0.00 0.00 176.35 176.16 1gcf s TRP 27 N -2.81 -0.57 0.05 0.29 0.51 -1.26 -2.95 118.94 112.20 1gcf s TRP 27 Ca 0.23 1.21 0.00 0.00 -2.12 0.00 0.00 56.10 55.42 1gcf s TRP 27 Cb -0.01 0.21 0.00 0.00 -0.81 0.00 0.00 33.47 32.86 1gcf s TRP 27 CO 0.14 -0.35 0.01 1.28 -0.51 0.00 0.00 176.95 177.52 1gcf n LEU 28 N 4.56 0.00 0.00 2.99 4.77 -0.53 0.40 117.00 129.18 1gcf n LEU 28 Ca -0.20 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1gcf n LEU 28 Cb 0.53 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1gcf n LEU 28 CO 0.07 -0.08 0.00 -1.54 -1.33 0.00 0.00 177.39 174.51 1gcf n SER 29 N -1.16 0.00 -3.67 -1.43 3.41 -0.94 -1.21 113.62 108.61 1gcf n SER 29 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1gcf n SER 29 Cb 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1gcf n SER 29 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1gcf s TRP 30 N -0.29 0.38 -0.26 7.33 -2.14 -1.22 -1.79 118.94 120.95 1gcf s TRP 30 Ca 0.00 -0.78 -0.13 0.00 2.66 0.00 0.00 56.10 57.85 1gcf s TRP 30 Cb 0.00 0.31 0.09 0.00 -3.10 0.00 0.00 33.47 30.76 1gcf s TRP 30 CO 0.00 -1.14 0.62 -1.59 -2.66 0.00 0.00 176.95 172.17 1gcf s LYS 31 N -3.56 0.60 0.00 3.25 -2.85 -0.96 -2.92 119.74 113.30 1gcf s LYS 31 Ca 0.21 1.19 0.00 0.00 -1.00 0.00 0.00 55.97 56.37 1gcf s LYS 31 Cb -0.02 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1gcf s LYS 31 CO 0.11 -0.17 0.00 -0.35 0.10 0.00 0.00 175.35 175.04 1gcf n PRO 32 N 4.61 0.00 0.00 1.78 -0.04 -1.26 -2.82 135.00 137.28 1gcf n PRO 32 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1gcf n PRO 32 Cb 0.56 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1gcf n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gcf n TRP 33 N 0.00 0.00 -1.91 0.54 2.14 -1.26 -4.26 117.44 112.69 1gcf n TRP 33 Ca 0.00 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.57 1gcf n TRP 33 Cb 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1gcf n TRP 33 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1gcf n LYS 34 N 0.00 -1.27 -0.93 -2.67 4.76 -1.26 -4.84 118.16 111.95 1gcf n LYS 34 Ca 0.00 1.33 -0.11 0.00 -2.87 0.00 0.00 58.31 56.66 1gcf n LYS 34 Cb 0.00 -2.49 -0.13 0.00 -1.84 0.00 0.00 35.03 30.57 1gcf n LYS 34 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1gcf n PRO 35 N 0.30 1.83 -3.25 1.97 -0.04 -1.26 -4.62 135.00 129.93 1gcf n PRO 35 Ca -0.02 -0.90 -0.17 0.00 -0.04 0.00 0.00 63.50 62.37 1gcf n PRO 35 Cb 0.04 -1.81 0.05 0.00 -0.04 0.00 0.00 33.50 31.74 1gcf n PRO 35 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gcf n SER 36 N 2.17 -5.13 -3.92 3.54 3.41 -1.26 -5.01 113.62 107.42 1gcf n SER 36 Ca 0.35 -0.37 -0.22 0.00 -0.26 0.00 0.00 58.87 58.37 1gcf n SER 36 Cb 0.81 -3.75 -0.08 0.00 -0.26 0.00 0.00 64.21 60.93 1gcf n SER 36 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1gcf s GLU 37 N -5.90 1.78 0.00 4.33 -1.05 -1.26 -5.16 118.70 111.44 1gcf s GLU 37 Ca 0.41 -2.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.17 1gcf s GLU 37 Cb -0.18 -0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.25 1gcf s GLU 37 CO 0.50 -0.50 0.00 2.48 0.95 0.00 0.00 175.26 178.69 1gcf n TYR 38 N -0.74 -0.10 0.00 4.83 4.11 -1.26 -5.02 117.16 118.98 1gcf n TYR 38 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1gcf n TYR 38 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 1gcf n TYR 38 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.86 176.74 1gcf n MET 39 N 0.00 0.00 -3.32 -3.48 1.56 -1.26 -4.98 117.12 105.64 1gcf n MET 39 Ca 0.00 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.15 1gcf n MET 39 Cb 0.00 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.30 1gcf n MET 39 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1gcf n GLU 40 N 2.27 2.80 0.00 2.12 -0.58 -1.26 -5.06 120.64 120.93 1gcf n GLU 40 Ca 0.00 -4.70 0.00 0.00 -0.42 0.00 0.00 57.16 52.04 1gcf n GLU 40 Cb 0.00 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 1gcf n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gcf n GLN 41 N 0.70 2.94 -3.49 3.49 10.64 -1.26 -4.44 117.38 125.96 1gcf n GLN 41 Ca 0.30 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.32 1gcf n GLN 41 Cb 0.40 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.74 1gcf n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1gcf s GLU 42 N 0.00 1.14 0.07 2.61 2.12 -1.01 -4.49 118.70 119.14 1gcf s GLU 42 Ca 0.00 -0.11 -0.10 0.00 0.36 0.00 0.00 54.97 55.12 1gcf s GLU 42 Cb 0.00 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.93 1gcf s GLU 42 CO 0.00 -0.43 0.22 0.00 -0.54 0.00 0.00 175.26 174.51 1gcf s GLU 44 N -3.26 1.16 0.23 0.00 1.03 -0.93 -2.92 118.70 114.01 1gcf s GLU 44 Ca 0.00 -1.48 0.09 0.00 0.03 0.00 0.00 54.97 53.62 1gcf s GLU 44 Cb 0.02 -0.85 -0.04 0.00 -0.80 0.00 0.00 34.13 32.46 1gcf s GLU 44 CO -0.08 0.13 -0.04 -1.17 -1.33 0.00 0.00 175.26 172.78 1gcf s LEU 45 N -3.13 3.12 -0.03 1.83 2.96 -1.07 -3.02 118.68 119.34 1gcf s LEU 45 Ca 0.18 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1gcf s LEU 45 Cb 0.00 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1gcf s LEU 45 CO 0.03 0.04 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.41 1gcf s ARG 46 N -3.33 0.99 -0.20 1.98 3.52 -1.15 -1.20 118.95 119.56 1gcf s ARG 46 Ca 0.29 -0.33 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 1gcf s ARG 46 Cb -0.07 -0.92 0.10 0.00 -1.56 0.00 0.00 34.95 32.49 1gcf s ARG 46 CO 0.18 0.13 0.38 1.52 -0.81 0.00 0.00 175.30 176.70 1gcf s TYR 47 N 0.15 -0.74 0.13 5.12 -0.85 -0.82 -1.41 117.35 118.93 1gcf s TYR 47 Ca -0.03 1.26 0.09 0.00 -0.52 0.00 0.00 57.07 57.87 1gcf s TYR 47 Cb -0.08 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 1gcf s TYR 47 CO 0.00 -0.52 -0.16 1.14 -1.52 0.00 0.00 175.55 174.49 1gcf s GLN 48 N 2.57 1.84 -0.63 -3.49 1.03 -0.94 -2.69 119.66 117.34 1gcf s GLN 48 Ca 0.02 -1.21 -0.28 0.00 0.04 0.00 0.00 55.36 53.93 1gcf s GLN 48 Cb -0.13 -2.11 0.02 0.00 0.03 0.00 0.00 33.01 30.82 1gcf s GLN 48 CO -0.13 0.47 1.34 -1.25 -2.54 0.00 0.00 175.29 173.18 1gcf s PRO 49 N -2.33 3.27 -0.49 9.60 0.04 -1.26 -1.41 135.00 142.42 1gcf s PRO 49 Ca 0.20 0.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 1gcf s PRO 49 Cb -0.10 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.30 1gcf s PRO 49 CO 0.11 -2.00 1.64 -1.14 0.04 0.00 0.00 177.00 175.66 1gcf s GLN 50 N 5.55 3.16 0.00 4.56 0.74 0.49 -4.62 119.66 129.54 1gcf s GLN 50 Ca 0.45 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.68 1gcf s GLN 50 Cb -0.09 -4.20 0.00 0.00 1.10 0.00 0.00 33.01 29.82 1gcf s GLN 50 CO 0.21 -2.09 0.00 1.47 -0.55 0.00 0.00 175.29 174.33 1gcf n LEU 51 N 10.56 0.00 -0.13 3.68 -0.00 -1.26 -3.10 117.00 126.74 1gcf n LEU 51 Ca 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.09 1gcf n LEU 51 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 1gcf n LEU 51 CO 0.70 0.00 0.57 0.11 -0.00 0.00 0.00 177.39 178.77 1gcf h LYS 52 N 0.00 -0.32 -5.07 1.47 6.56 -1.94 -3.43 116.57 113.84 1gcf h LYS 52 Ca 0.00 0.02 -0.46 0.00 -1.06 0.00 0.00 60.65 59.15 1gcf h LYS 52 Cb 0.00 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 31.59 1gcf h LYS 52 CO 0.00 -0.21 -0.58 0.20 -2.06 0.00 0.00 179.45 176.80 1gcf s GLY 53 N -2.69 2.12 0.02 3.86 0.00 -1.26 -5.17 107.32 104.21 1gcf s GLY 53 Ca -0.15 -1.79 -0.28 0.00 0.00 0.00 0.00 44.72 42.51 1gcf s GLY 53 CO 0.65 -1.75 0.76 0.00 0.00 0.00 0.00 173.10 172.76 1gcf s ALA 54 N -3.41 -1.75 -0.14 3.20 0.00 -1.26 -4.86 121.76 113.52 1gcf s ALA 54 Ca 0.34 0.99 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1gcf s ALA 54 Cb 0.07 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1gcf s ALA 54 CO 0.15 -0.59 0.19 -1.71 0.00 0.00 0.00 175.76 173.80 1gcf n ASN 55 N 0.10 0.32 -1.52 0.00 2.85 -1.26 -5.08 115.26 110.67 1gcf n ASN 55 Ca -0.14 -0.66 0.00 0.00 -0.11 0.00 0.00 54.58 53.67 1gcf n ASN 55 Cb 0.61 0.80 0.00 0.00 1.24 0.00 0.00 39.78 42.43 1gcf n ASN 55 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1gcf n TRP 56 N -0.82 -3.64 -4.28 1.20 7.02 -1.26 -5.03 117.44 110.64 1gcf n TRP 56 Ca 0.01 2.04 -0.27 0.00 -1.02 0.00 0.00 57.50 58.26 1gcf n TRP 56 Cb 0.04 -3.19 -0.09 0.00 -2.42 0.00 0.00 31.31 25.65 1gcf n TRP 56 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1gcf s THR 57 N -1.07 3.23 0.48 -0.99 2.01 -1.10 -4.96 115.64 113.25 1gcf s THR 57 Ca 0.00 -1.64 0.03 0.00 0.31 0.00 0.00 61.69 60.39 1gcf s THR 57 Cb 0.00 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1gcf s THR 57 CO 0.00 -0.11 0.02 -0.76 -0.69 0.00 0.00 174.62 173.08 1gcf s LEU 58 N -2.84 2.48 0.01 4.42 1.43 -1.26 -1.94 118.68 120.98 1gcf s LEU 58 Ca 0.25 -1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 51.70 1gcf s LEU 58 Cb -0.09 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.33 1gcf s LEU 58 CO 0.15 -0.75 0.20 -0.69 0.23 0.00 0.00 176.35 175.50 1gcf s VAL 59 N -2.82 0.08 0.00 -1.59 1.01 -0.34 -4.91 120.40 111.83 1gcf s VAL 59 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1gcf s VAL 59 Cb 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1gcf s VAL 59 CO 0.08 -0.38 0.00 0.49 0.00 0.00 0.00 175.10 175.29 1gcf n PHE 60 N 1.20 0.00 -4.44 5.22 3.72 -1.26 -2.60 117.46 119.30 1gcf n PHE 60 Ca -0.21 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.79 1gcf n PHE 60 Cb 0.56 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.03 1gcf n PHE 60 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1gcf n HIS 61 N 0.00 -1.27 -4.21 1.38 1.44 -1.26 -4.84 115.22 106.46 1gcf n HIS 61 Ca 0.00 0.69 -0.35 0.00 -2.01 0.00 0.00 57.72 56.05 1gcf n HIS 61 Cb 0.00 -2.26 -0.08 0.00 0.12 0.00 0.00 29.99 27.77 1gcf n HIS 61 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1gcf s LEU 62 N -7.27 3.84 0.27 2.39 1.02 -1.15 -5.07 118.68 112.71 1gcf s LEU 62 Ca 0.62 0.23 -0.29 0.00 0.02 0.00 0.00 54.13 54.72 1gcf s LEU 62 Cb -0.36 -1.94 -0.09 0.00 0.02 0.00 0.00 46.19 43.82 1gcf s LEU 62 CO 1.01 0.37 0.96 -2.16 0.02 0.00 0.00 176.35 176.55 1gcf s PRO 63 N -1.03 4.73 0.34 1.29 0.04 -1.26 -2.96 135.00 136.16 1gcf s PRO 63 Ca 0.15 1.46 0.13 0.00 0.04 0.00 0.00 61.00 62.79 1gcf s PRO 63 Cb -0.12 -3.10 1.06 0.00 0.04 0.00 0.00 34.50 32.39 1gcf s PRO 63 CO 0.04 0.40 1.66 0.66 0.04 0.00 0.00 177.00 179.80 1gcf h SER 64 N 3.76 0.47 -3.18 6.66 4.64 -1.89 -3.35 113.55 120.67 1gcf h SER 64 Ca -0.46 0.19 -0.56 0.00 -0.47 0.00 0.00 61.79 60.50 1gcf h SER 64 Cb 1.20 0.15 -0.37 0.00 -0.31 0.00 0.00 62.40 63.07 1gcf h SER 64 CO 0.67 -0.14 -0.81 -0.94 -0.87 0.00 0.00 176.83 174.74 1gcf s SER 65 N -4.92 2.43 -0.05 4.97 1.04 -1.26 -4.19 113.70 111.72 1gcf s SER 65 Ca -0.10 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1gcf s SER 65 Cb 0.30 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 1gcf s SER 65 CO 0.79 -0.10 0.12 -0.75 0.98 0.00 0.00 173.24 174.28 1gcf s LYS 66 N 1.62 3.28 -0.10 4.02 2.47 -1.15 -4.99 119.74 124.90 1gcf s LYS 66 Ca 0.05 -0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.02 1gcf s LYS 66 Cb -0.13 -3.02 -0.28 0.00 -1.46 0.00 0.00 37.83 32.94 1gcf s LYS 66 CO -0.09 0.70 0.50 -0.44 0.16 0.00 0.00 175.35 176.19 1gcf h ASP 67 N 4.39 0.45 -0.65 1.43 3.32 -1.89 -3.24 116.42 120.25 1gcf h ASP 67 Ca -0.51 -0.90 -0.29 0.00 0.02 0.00 0.00 57.03 55.34 1gcf h ASP 67 Cb 1.20 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 40.40 1gcf h ASP 67 CO 0.62 1.76 -0.64 0.00 -1.72 0.00 0.00 179.24 179.27 1gcf n GLN 68 N -3.68 0.70 -1.40 3.56 6.02 -1.26 -4.78 117.38 116.54 1gcf n GLN 68 Ca -0.28 -2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 54.16 1gcf n GLN 68 Cb 1.00 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.84 1gcf n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1gcf n PHE 69 N 1.84 -1.02 -3.80 1.08 -0.00 -0.35 -4.64 117.46 110.57 1gcf n PHE 69 Ca 0.14 0.61 -0.29 0.00 -0.00 0.00 0.00 57.45 57.91 1gcf n PHE 69 Cb 0.59 -1.92 -0.16 0.00 -0.00 0.00 0.00 39.48 37.99 1gcf n PHE 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1gcf s GLU 70 N -1.39 0.97 0.28 -4.13 2.12 -1.26 -1.45 118.70 113.83 1gcf s GLU 70 Ca 0.62 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 55.37 1gcf s GLU 70 Cb -0.62 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1gcf s GLU 70 CO 0.59 -0.66 0.11 -1.17 -0.54 0.00 0.00 175.26 173.60 1gcf s LEU 71 N 1.69 3.43 0.09 2.70 2.96 -1.15 -4.97 118.68 123.43 1gcf s LEU 71 Ca -0.02 -0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 53.10 1gcf s LEU 71 Cb -0.18 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.63 1gcf s LEU 71 CO -0.09 -0.10 0.64 0.00 -1.32 0.00 0.00 176.35 175.48 1gcf n GLY 73 N 0.01 1.12 3.33 0.00 0.00 -1.26 -5.04 105.19 103.34 1gcf n GLY 73 Ca -0.17 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1gcf n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gcf s LEU 74 N -0.25 4.37 -0.29 0.99 1.43 -1.26 -5.01 118.68 118.65 1gcf s LEU 74 Ca 0.00 -1.00 -0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1gcf s LEU 74 Cb 0.00 -1.93 0.19 0.00 0.03 0.00 0.00 46.19 44.49 1gcf s LEU 74 CO 0.00 -0.32 0.75 -1.38 0.23 0.00 0.00 176.35 175.63 1gcf s HIS 75 N 1.48 -1.37 0.00 0.29 -3.43 -1.26 -4.93 115.29 106.07 1gcf s HIS 75 Ca 0.00 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.07 1gcf s HIS 75 Cb -0.19 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.20 1gcf s HIS 75 CO 0.04 -0.80 0.00 1.04 -2.00 0.00 0.00 174.74 173.02 1gcf n GLN 76 N 5.31 0.00 -4.34 -0.38 6.02 -1.26 -5.14 117.38 117.59 1gcf n GLN 76 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.82 1gcf n GLN 76 Cb 0.55 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.73 1gcf n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gcf s ALA 77 N -0.38 3.04 0.16 -1.58 0.00 -1.26 -4.98 121.76 116.77 1gcf s ALA 77 Ca 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.24 1gcf s ALA 77 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1gcf s ALA 77 CO 0.00 0.28 1.39 -1.00 0.00 0.00 0.00 175.76 176.43 1gcf h PRO 78 N 2.03 0.37 -4.60 0.00 0.13 -1.94 -3.45 132.00 124.53 1gcf h PRO 78 Ca -0.43 -0.34 -0.31 0.00 -0.87 0.00 0.00 66.00 64.05 1gcf h PRO 78 Cb 1.25 0.08 -0.23 0.00 0.13 0.00 0.00 31.00 32.23 1gcf h PRO 78 CO 0.60 1.00 -0.75 0.54 -0.23 0.00 0.00 178.00 179.16 1gcf s VAL 79 N -3.46 0.58 0.16 1.56 0.11 -1.18 -4.74 120.40 113.43 1gcf s VAL 79 Ca -0.05 -0.85 0.07 0.00 -2.93 0.00 0.00 61.98 58.21 1gcf s VAL 79 Cb 0.10 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1gcf s VAL 79 CO 0.84 -0.20 0.02 -0.31 -3.33 0.00 0.00 175.10 172.12 1gcf s TYR 80 N -0.99 2.91 0.20 1.54 2.02 -0.48 -0.38 117.35 122.18 1gcf s TYR 80 Ca -0.05 -0.10 0.11 0.00 -0.37 0.00 0.00 57.07 56.66 1gcf s TYR 80 Cb -0.08 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1gcf s TYR 80 CO 0.00 0.51 -0.24 0.99 -1.57 0.00 0.00 175.55 175.25 1gcf s THR 81 N -1.65 2.37 -0.16 -0.71 2.01 -0.50 -2.13 115.64 114.86 1gcf s THR 81 Ca 0.28 -2.05 -0.08 0.00 0.31 0.00 0.00 61.69 60.15 1gcf s THR 81 Cb -0.10 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.33 1gcf s THR 81 CO 0.19 -0.13 0.38 -0.76 -0.69 0.00 0.00 174.62 173.61 1gcf s LEU 82 N -2.71 -0.07 0.00 4.42 1.02 -0.66 -2.21 118.68 118.47 1gcf s LEU 82 Ca 0.21 0.84 0.00 0.00 0.02 0.00 0.00 54.13 55.20 1gcf s LEU 82 Cb -0.08 1.23 0.00 0.00 0.02 0.00 0.00 46.19 47.37 1gcf s LEU 82 CO 0.10 -0.19 0.00 0.00 0.02 0.00 0.00 176.35 176.28 1gcf n GLN 83 N 4.39 1.98 -3.72 1.70 3.00 -0.50 -1.56 117.38 122.67 1gcf n GLN 83 Ca -0.22 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.64 1gcf n GLN 83 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.69 1gcf n GLN 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1gcf s MET 84 N -1.79 0.53 0.07 -1.09 1.75 -1.08 -2.95 119.30 114.74 1gcf s MET 84 Ca 0.00 0.57 0.02 0.00 -1.25 0.00 0.00 55.69 55.04 1gcf s MET 84 Cb 0.00 0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.90 1gcf s MET 84 CO 0.00 -0.07 -0.08 0.50 -0.65 0.00 0.00 175.02 174.72 1gcf s ARG 85 N 0.14 0.66 0.29 4.11 3.52 -1.17 -1.58 118.95 124.93 1gcf s ARG 85 Ca -0.01 -0.99 0.05 0.00 -0.13 0.00 0.00 55.73 54.65 1gcf s ARG 85 Cb -0.03 -0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 1gcf s ARG 85 CO 0.01 0.03 0.22 0.00 -0.81 0.00 0.00 175.30 174.76 1gcf n ILE 87 N -0.52 0.00 -1.13 0.00 3.06 -0.87 -4.27 119.36 115.62 1gcf n ILE 87 Ca 0.05 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1gcf n ILE 87 Cb 0.64 0.22 0.00 0.00 0.54 0.00 0.00 39.64 41.03 1gcf n ILE 87 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1gcf n ARG 88 N -0.28 0.56 0.07 9.51 3.00 -1.26 -2.40 116.66 125.85 1gcf n ARG 88 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 1gcf n ARG 88 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.64 1gcf n ARG 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1gcf h SER 89 N 0.00 -0.19 -0.13 0.55 4.64 -1.79 -3.25 113.55 113.38 1gcf h SER 89 Ca 0.00 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1gcf h SER 89 Cb 0.00 0.05 -0.22 0.00 -0.31 0.00 0.00 62.40 61.92 1gcf h SER 89 CO 0.00 0.08 -0.78 -1.54 -0.87 0.00 0.00 176.83 173.73 1gcf n SER 90 N -3.83 1.84 -4.00 4.97 3.41 -1.26 -4.89 113.62 109.86 1gcf n SER 90 Ca -0.03 -3.07 -0.32 0.00 -0.26 0.00 0.00 58.87 55.19 1gcf n SER 90 Cb 0.09 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1gcf n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gcf s LEU 91 N -2.23 5.08 -0.41 1.04 1.43 -1.26 -5.04 118.68 117.28 1gcf s LEU 91 Ca 0.37 -3.59 -0.29 0.00 -1.03 0.00 0.00 54.13 49.59 1gcf s LEU 91 Cb 0.38 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.86 1gcf s LEU 91 CO -0.09 -0.17 1.16 -2.16 0.23 0.00 0.00 176.35 175.32 1gcf s PRO 92 N -1.12 3.83 0.00 1.29 0.04 -1.26 -4.41 135.00 133.36 1gcf s PRO 92 Ca 0.24 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1gcf s PRO 92 Cb -0.10 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1gcf s PRO 92 CO -0.12 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1gcf n GLY 93 N 4.54 0.00 1.78 0.56 0.00 -1.26 -5.04 105.19 105.78 1gcf n GLY 93 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1gcf n GLY 93 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gcf n PHE 94 N -0.10 -0.27 -0.85 1.61 3.72 -1.26 -5.00 117.46 115.31 1gcf n PHE 94 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1gcf n PHE 94 Cb 0.00 0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1gcf n PHE 94 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1gcf n TRP 95 N -2.39 0.00 -0.81 1.38 7.02 -1.26 -4.76 117.44 116.61 1gcf n TRP 95 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1gcf n TRP 95 Cb 0.00 -1.30 -0.03 0.00 -2.42 0.00 0.00 31.31 27.56 1gcf n TRP 95 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1gcf n SER 96 N -0.43 -4.28 -4.85 -0.99 7.64 -1.26 -4.19 113.62 105.25 1gcf n SER 96 Ca 0.00 0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.93 1gcf n SER 96 Cb 0.22 -2.66 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 1gcf n SER 96 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1gcf s PRO 97 N -2.15 3.62 -0.39 1.43 0.04 -1.26 -4.91 135.00 131.39 1gcf s PRO 97 Ca 0.00 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 1gcf s PRO 97 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1gcf s PRO 97 CO 0.00 -0.54 1.34 -1.58 0.04 0.00 0.00 177.00 176.26 1gcf s TRP 98 N -2.95 2.54 0.43 0.56 0.52 -1.26 -4.79 118.94 113.99 1gcf s TRP 98 Ca 0.57 0.74 -0.24 0.00 0.02 0.00 0.00 56.10 57.19 1gcf s TRP 98 Cb -0.11 -4.21 -0.08 0.00 -1.15 0.00 0.00 33.47 27.91 1gcf s TRP 98 CO 0.46 -1.80 1.15 -1.54 0.02 0.00 0.00 176.95 175.24 1gcf s SER 99 N 3.40 6.37 -0.00 2.95 1.04 -0.62 -4.91 113.70 121.93 1gcf s SER 99 Ca 0.58 2.29 -0.30 0.00 0.48 0.00 0.00 55.95 59.00 1gcf s SER 99 Cb -0.14 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1gcf s SER 99 CO 0.30 -0.78 1.10 -2.16 0.98 0.00 0.00 173.24 172.68 1gcf s PRO 100 N -2.52 4.46 0.00 4.02 0.04 -1.26 -2.62 135.00 137.12 1gcf s PRO 100 Ca 0.60 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1gcf s PRO 100 Cb -0.29 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1gcf s PRO 100 CO 0.35 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1gcf n GLY 101 N 3.12 -0.02 3.81 0.56 0.00 -1.21 -4.86 105.19 106.58 1gcf n GLY 101 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1gcf n GLY 101 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1gcf s LEU 102 N 0.00 -0.06 0.00 0.99 2.34 -0.60 -4.98 118.68 116.38 1gcf s LEU 102 Ca 0.00 -0.43 0.03 0.00 0.06 0.00 0.00 54.13 53.79 1gcf s LEU 102 Cb 0.00 1.87 -0.01 0.00 -0.56 0.00 0.00 46.19 47.49 1gcf s LEU 102 CO 0.00 -0.74 -0.09 -1.10 -1.06 0.00 0.00 176.35 173.36 1gcf s GLN 103 N -2.52 0.69 0.22 1.48 1.11 -1.26 -1.65 119.66 117.72 1gcf s GLN 103 Ca 0.18 -0.40 -0.09 0.00 0.01 0.00 0.00 55.36 55.06 1gcf s GLN 103 Cb -0.00 -0.65 0.04 0.00 -1.01 0.00 0.00 33.01 31.38 1gcf s GLN 103 CO 0.02 0.17 0.49 1.28 0.01 0.00 0.00 175.29 177.26 1gcf n LEU 104 N 2.61 0.00 -4.31 2.90 4.32 -0.91 -5.01 117.00 116.61 1gcf n LEU 104 Ca -0.15 -1.45 -0.36 0.00 -0.02 0.00 0.00 56.01 54.02 1gcf n LEU 104 Cb 0.57 2.21 -0.13 0.00 -1.62 0.00 0.00 43.42 44.45 1gcf n LEU 104 CO 0.24 -0.48 -0.31 -0.13 -1.22 0.00 0.00 177.39 175.49 1gcf s ARG 105 N -2.05 3.05 0.00 3.23 0.52 -1.26 -1.38 118.95 121.05 1gcf s ARG 105 Ca 0.10 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1gcf s ARG 105 Cb -0.03 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1gcf s ARG 105 CO 0.07 -0.42 0.00 -0.35 0.02 0.00 0.00 175.30 174.62 1gcf n PRO 106 N 4.81 1.07 -1.04 3.54 -0.04 -1.26 -4.96 135.00 137.12 1gcf n PRO 106 Ca -0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 1gcf n PRO 106 Cb 0.48 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.97 1gcf n PRO 106 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1gcf n THR 107 N -0.07 0.00 0.09 0.52 -2.24 -1.26 -4.86 114.28 106.46 1gcf n THR 107 Ca 0.00 -0.48 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 1gcf n THR 107 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1gcf n THR 107 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1gcf h MET 108 N -0.59 0.00 0.00 -0.78 0.00 -1.96 -3.51 114.93 108.09 1gcf h MET 108 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.29 1gcf h MET 108 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.89 1gcf h MET 108 CO 0.29 0.14 0.00 1.17 0.00 0.00 0.00 176.91 178.50