#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 0.00 -2.58 1.61 3.41 -1.26 -4.89 113.62 109.91 1gcf n SER 2 Ca 0.00 -1.31 -0.01 0.00 -0.26 0.00 0.00 58.87 57.29 1gcf n SER 2 Cb 0.00 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1gcf n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gcf n SER 3 N 0.00 0.23 -4.60 4.04 2.88 -1.26 -5.08 113.62 109.83 1gcf n SER 3 Ca 0.00 -2.09 -0.42 0.00 -1.33 0.00 0.00 58.87 55.02 1gcf n SER 3 Cb 0.56 0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1gcf n SER 3 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1gcf s LEU 4 N -3.45 3.43 -0.09 2.46 1.43 -1.26 -4.82 118.68 116.37 1gcf s LEU 4 Ca 0.19 1.81 -0.10 0.00 -1.03 0.00 0.00 54.13 55.00 1gcf s LEU 4 Cb 0.36 -3.42 -0.28 0.00 0.03 0.00 0.00 46.19 42.88 1gcf s LEU 4 CO -0.08 -2.06 0.51 -0.33 0.23 0.00 0.00 176.35 174.62 1gcf h GLU 5 N 15.53 0.31 -7.50 1.70 5.08 -1.99 -3.48 114.58 124.24 1gcf h GLU 5 Ca -0.39 -0.53 -0.46 0.00 -1.00 0.00 0.00 59.36 56.97 1gcf h GLU 5 Cb 1.24 0.20 0.13 0.00 0.50 0.00 0.00 28.75 30.82 1gcf h GLU 5 CO 0.98 1.26 0.30 -1.25 -1.00 0.00 0.00 179.01 179.29 1gcf s PRO 6 N -2.55 1.03 0.51 2.33 0.04 -1.26 -4.98 135.00 130.13 1gcf s PRO 6 Ca -0.20 0.25 -0.09 0.00 0.04 0.00 0.00 61.00 61.01 1gcf s PRO 6 Cb 0.06 -1.83 0.12 0.00 0.04 0.00 0.00 34.50 32.89 1gcf s PRO 6 CO 0.80 -2.26 0.60 -0.35 0.04 0.00 0.00 177.00 175.82 1gcf n PRO 7 N -3.80 -1.14 -4.64 0.56 -0.04 -1.26 -4.91 135.00 119.76 1gcf n PRO 7 Ca 0.07 -0.93 -0.33 0.00 -0.04 0.00 0.00 63.50 62.27 1gcf n PRO 7 Cb 0.59 -0.71 -0.16 0.00 -0.04 0.00 0.00 33.50 33.19 1gcf n PRO 7 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1gcf s MET 8 N -4.32 3.12 -0.18 0.54 1.75 -1.20 -4.96 119.30 114.05 1gcf s MET 8 Ca 0.35 -0.80 -0.06 0.00 -1.25 0.00 0.00 55.69 53.93 1gcf s MET 8 Cb -0.02 -2.52 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 1gcf s MET 8 CO 0.26 0.02 0.01 -1.17 -0.65 0.00 0.00 175.02 173.49 1gcf s LEU 9 N 0.77 3.49 0.27 4.11 1.98 -1.26 -2.84 118.68 125.21 1gcf s LEU 9 Ca -0.07 -0.05 0.06 0.00 -2.89 0.00 0.00 54.13 51.17 1gcf s LEU 9 Cb -0.16 -1.87 -0.06 0.00 0.66 0.00 0.00 46.19 44.77 1gcf s LEU 9 CO -0.00 0.15 -0.03 0.00 -1.89 0.00 0.00 176.35 174.58 1gcf s GLN 10 N 0.48 1.51 0.25 1.98 -2.07 -0.90 -4.70 119.66 116.22 1gcf s GLN 10 Ca -0.00 -1.77 -0.01 0.00 -1.82 0.00 0.00 55.36 51.75 1gcf s GLN 10 Cb -0.14 -1.01 0.05 0.00 -1.09 0.00 0.00 33.01 30.83 1gcf s GLN 10 CO 0.02 -0.02 0.34 0.00 -1.32 0.00 0.00 175.29 174.31 1gcf n ALA 11 N -0.56 -0.08 -2.66 2.60 0.00 -1.26 -2.28 120.51 116.26 1gcf n ALA 11 Ca -0.05 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.48 1gcf n ALA 11 Cb 0.64 0.07 -0.16 0.00 0.00 0.00 0.00 19.45 20.00 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 2.20 -0.14 0.00 2.96 0.23 -4.58 118.68 119.34 1gcf s LEU 12 Ca 0.22 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 1gcf s LEU 12 Cb -0.01 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1gcf s LEU 12 CO 0.15 0.26 1.75 -1.81 -1.32 0.00 0.00 176.35 175.38 1gcf s ASP 13 N -0.27 6.35 0.28 3.68 1.01 -1.26 -4.74 116.67 121.72 1gcf s ASP 13 Ca -0.00 1.95 0.09 0.00 0.71 0.00 0.00 52.55 55.30 1gcf s ASP 13 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1gcf s ASP 13 CO 0.03 -1.23 0.02 -0.63 0.21 0.00 0.00 175.17 173.57 1gcf s ILE 14 N 5.19 3.39 0.00 0.77 -1.09 -1.26 -4.56 121.20 123.64 1gcf s ILE 14 Ca 0.78 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 1gcf s ILE 14 Cb -0.30 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1gcf s ILE 14 CO 0.32 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 1gcf n GLY 15 N -0.94 1.68 0.00 6.18 0.00 -1.26 -4.62 105.19 106.23 1gcf n GLY 15 Ca -0.06 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 0.95 0.00 1.61 -0.04 -1.26 -3.17 135.00 133.09 1gcf n PRO 16 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1gcf n PRO 16 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1gcf n PRO 16 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gcf n ASP 17 N -1.01 1.30 -1.73 3.54 9.92 -1.26 -4.72 116.55 122.59 1gcf n ASP 17 Ca 0.23 -1.57 -0.18 0.00 -0.53 0.00 0.00 54.79 52.74 1gcf n ASP 17 Cb 0.11 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.70 1gcf n ASP 17 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1gcf n VAL 18 N -0.28 2.78 0.00 2.53 3.14 -1.19 -4.95 118.33 120.36 1gcf n VAL 18 Ca 0.00 -3.32 0.00 0.00 -2.96 0.00 0.00 64.34 58.06 1gcf n VAL 18 Cb 0.26 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 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 -0.93 0.00 -0.79 1.55 0.31 -1.26 -4.74 118.33 112.47 1gcf n VAL 19 Ca 0.44 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.47 1gcf n VAL 19 Cb 0.94 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 34.13 1gcf n VAL 19 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1gcf s SER 20 N -4.00 0.28 0.00 4.52 1.04 -1.26 -4.92 113.70 109.35 1gcf s SER 20 Ca 0.00 0.81 0.09 0.00 0.48 0.00 0.00 55.95 57.33 1gcf s SER 20 Cb 0.00 -1.17 0.25 0.00 0.10 0.00 0.00 66.02 65.21 1gcf s SER 20 CO 0.00 -4.54 1.21 1.41 0.98 0.00 0.00 173.24 172.30 1gcf n HIS 21 N -5.07 0.38 -3.26 5.02 -0.00 -1.26 -4.72 115.22 106.31 1gcf n HIS 21 Ca 0.12 -0.50 -0.38 0.00 -0.00 0.00 0.00 57.72 56.95 1gcf n HIS 21 Cb 0.59 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.49 1gcf n HIS 21 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1gcf s GLN 22 N -1.00 4.32 0.53 -0.41 -2.07 -1.26 -4.98 119.66 114.79 1gcf s GLN 22 Ca 0.19 0.51 -0.08 0.00 -1.82 0.00 0.00 55.36 54.15 1gcf s GLN 22 Cb 0.10 -3.47 0.12 0.00 -1.09 0.00 0.00 33.01 28.67 1gcf s GLN 22 CO 0.13 0.07 0.73 -0.35 -1.32 0.00 0.00 175.29 174.55 1gcf n PRO 23 N 3.95 -0.64 0.00 9.60 -0.04 -1.26 -4.88 135.00 141.73 1gcf n PRO 23 Ca -0.06 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1gcf n PRO 23 Cb 0.51 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 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 0.21 0.82 2.68 0.55 0.00 -1.26 -4.97 105.19 103.22 1gcf n GLY 24 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.46 -0.17 0.00 1.43 -0.64 -4.23 118.68 117.52 1gcf s LEU 26 Ca 0.30 -1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 51.85 1gcf s LEU 26 Cb 0.01 -0.65 0.08 0.00 0.03 0.00 0.00 46.19 45.66 1gcf s LEU 26 CO 0.21 -0.66 0.33 0.26 0.23 0.00 0.00 176.35 176.72 1gcf s TRP 27 N -2.93 -0.60 0.06 0.29 0.51 -1.26 -2.90 118.94 112.10 1gcf s TRP 27 Ca 0.25 1.14 0.00 0.00 -2.12 0.00 0.00 56.10 55.37 1gcf s TRP 27 Cb 0.06 0.09 0.00 0.00 -0.81 0.00 0.00 33.47 32.81 1gcf s TRP 27 CO 0.12 -0.45 0.02 1.28 -0.51 0.00 0.00 176.95 177.42 1gcf n LEU 28 N 5.37 0.00 0.00 2.99 4.77 -0.47 0.76 117.00 130.41 1gcf n LEU 28 Ca -0.07 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1gcf n LEU 28 Cb 0.50 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1gcf n LEU 28 CO 0.02 -0.18 0.00 -1.54 -1.33 0.00 0.00 177.39 174.36 1gcf n SER 29 N -1.58 0.00 -4.03 -1.43 3.41 -0.97 -1.21 113.62 107.81 1gcf n SER 29 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.50 1gcf n SER 29 Cb 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.00 0.45 -0.06 7.33 -2.14 -1.22 -2.13 118.94 121.18 1gcf s TRP 30 Ca 0.00 -0.63 -0.03 0.00 2.66 0.00 0.00 56.10 58.10 1gcf s TRP 30 Cb 0.00 -0.30 0.03 0.00 -3.10 0.00 0.00 33.47 30.10 1gcf s TRP 30 CO 0.00 -0.19 0.14 0.15 -2.66 0.00 0.00 176.95 174.39 1gcf s LYS 31 N -2.03 0.11 0.32 3.25 3.01 -1.13 -3.39 119.74 119.88 1gcf s LYS 31 Ca -0.09 0.31 -0.04 0.00 -1.01 0.00 0.00 55.97 55.14 1gcf s LYS 31 Cb -0.06 -0.10 0.07 0.00 -1.01 0.00 0.00 37.83 36.73 1gcf s LYS 31 CO -0.02 -0.12 0.44 -0.35 0.51 0.00 0.00 175.35 175.81 1gcf n PRO 32 N 3.83 -0.20 -3.31 -1.68 -0.04 -1.26 -3.22 135.00 129.12 1gcf n PRO 32 Ca -0.22 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1gcf n PRO 32 Cb 0.54 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 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 -2.42 0.00 0.00 0.54 2.14 -1.26 -4.93 117.44 111.51 1gcf n TRP 33 Ca 0.06 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.63 1gcf n TRP 33 Cb 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.71 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 0.00 -1.19 -2.67 4.76 -1.26 -4.58 118.16 113.22 1gcf n LYS 34 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1gcf n LYS 34 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 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 -1.24 2.96 -2.79 1.97 -0.04 -1.26 -4.92 135.00 129.67 1gcf n PRO 35 Ca 0.00 -1.70 -0.21 0.00 -0.04 0.00 0.00 63.50 61.55 1gcf n PRO 35 Cb 0.00 -2.43 0.07 0.00 -0.04 0.00 0.00 33.50 31.09 1gcf n PRO 35 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1gcf s SER 36 N 2.03 4.93 0.00 3.54 1.04 -1.26 -5.02 113.70 118.95 1gcf s SER 36 Ca 0.68 -0.46 0.16 0.00 0.48 0.00 0.00 55.95 56.80 1gcf s SER 36 Cb 0.24 -0.15 -0.08 0.00 0.10 0.00 0.00 66.02 66.13 1gcf s SER 36 CO -0.04 -1.42 0.75 -0.62 0.98 0.00 0.00 173.24 172.89 1gcf n GLU 37 N -2.43 1.83 -0.34 4.02 -0.58 -1.26 -4.99 120.64 116.89 1gcf n GLU 37 Ca 0.13 -0.41 -0.09 0.00 -0.42 0.00 0.00 57.16 56.37 1gcf n GLU 37 Cb 0.61 -1.25 0.07 0.00 -0.57 0.00 0.00 31.44 30.30 1gcf n GLU 37 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1gcf n TYR 38 N -0.74 -3.33 0.00 -0.32 4.01 -1.26 -5.06 117.16 110.46 1gcf n TYR 38 Ca 0.05 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1gcf n TYR 38 Cb 0.29 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1gcf n TYR 38 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1gcf n MET 39 N -2.43 0.00 -2.41 -0.72 2.81 -1.26 -5.09 117.12 108.02 1gcf n MET 39 Ca 0.05 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.89 1gcf n MET 39 Cb 0.17 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.69 1gcf n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1gcf n GLU 40 N 0.00 -1.69 0.09 0.03 1.02 -1.26 -5.02 120.64 113.82 1gcf n GLU 40 Ca 0.00 1.65 0.00 0.00 -0.02 0.00 0.00 57.16 58.79 1gcf n GLU 40 Cb 0.00 -4.32 0.00 0.00 -0.02 0.00 0.00 31.44 27.10 1gcf n GLU 40 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1gcf n GLN 41 N -0.29 0.00 0.00 3.49 6.02 -1.26 -4.95 117.38 120.38 1gcf n GLN 41 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1gcf n GLN 41 Cb 0.29 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.55 1gcf n GLN 41 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1gcf n GLU 42 N -3.09 0.00 -3.69 -1.09 2.13 -1.18 -3.00 120.64 110.71 1gcf n GLU 42 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1gcf n GLU 42 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1gcf n GLU 42 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gcf s GLU 44 N 0.90 2.33 0.09 0.00 0.41 -0.83 -3.37 118.70 118.23 1gcf s GLU 44 Ca -0.05 -1.38 0.05 0.00 -0.41 0.00 0.00 54.97 53.18 1gcf s GLU 44 Cb -0.06 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.07 1gcf s GLU 44 CO -0.08 0.37 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.88 1gcf s LEU 45 N -3.65 3.39 -0.06 1.80 2.96 -0.41 -2.91 118.68 119.81 1gcf s LEU 45 Ca 0.31 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1gcf s LEU 45 Cb -0.07 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1gcf s LEU 45 CO 0.20 0.18 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.60 1gcf s ARG 46 N -2.26 2.28 -0.22 1.98 3.52 -0.78 -1.24 118.95 122.23 1gcf s ARG 46 Ca 0.25 -0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 1gcf s ARG 46 Cb -0.12 -1.92 0.12 0.00 -1.56 0.00 0.00 34.95 31.47 1gcf s ARG 46 CO 0.17 0.29 0.37 1.52 -0.81 0.00 0.00 175.30 176.84 1gcf s TYR 47 N 0.00 -0.76 0.06 5.12 -0.85 -0.94 -1.32 117.35 118.65 1gcf s TYR 47 Ca -0.06 0.99 0.07 0.00 -0.52 0.00 0.00 57.07 57.55 1gcf s TYR 47 Cb -0.13 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 1gcf s TYR 47 CO 0.04 -0.63 -0.15 1.14 -1.52 0.00 0.00 175.55 174.43 1gcf s GLN 48 N 2.54 2.10 -0.46 -3.49 1.03 -0.45 -2.80 119.66 118.13 1gcf s GLN 48 Ca 0.08 -0.98 -0.29 0.00 0.04 0.00 0.00 55.36 54.21 1gcf s GLN 48 Cb -0.14 -2.24 0.02 0.00 0.03 0.00 0.00 33.01 30.68 1gcf s GLN 48 CO -0.14 0.53 1.25 -1.25 -2.54 0.00 0.00 175.29 173.14 1gcf s PRO 49 N -1.66 3.65 -0.54 9.60 0.04 -1.26 -1.41 135.00 143.42 1gcf s PRO 49 Ca 0.16 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 1gcf s PRO 49 Cb -0.11 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.50 1gcf s PRO 49 CO 0.08 -1.48 1.19 -1.14 0.04 0.00 0.00 177.00 175.69 1gcf s GLN 50 N 4.68 3.58 0.00 4.56 0.74 0.12 -4.54 119.66 128.81 1gcf s GLN 50 Ca 0.53 0.38 0.00 0.00 0.05 0.00 0.00 55.36 56.32 1gcf s GLN 50 Cb -0.10 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 30.03 1gcf s GLN 50 CO 0.32 -1.58 0.00 1.47 -0.55 0.00 0.00 175.29 174.95 1gcf n LEU 51 N 8.28 0.00 -0.00 3.68 -0.00 -1.26 -3.12 117.00 124.57 1gcf n LEU 51 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.01 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 0.72 0.00 0.87 0.11 -0.00 0.00 0.00 177.39 179.09 1gcf h LYS 52 N 0.00 0.05 -3.70 1.47 1.79 -1.92 -3.44 116.57 110.82 1gcf h LYS 52 Ca 0.00 -0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1gcf h LYS 52 Cb 0.00 -0.01 -0.19 0.00 -1.58 0.00 0.00 32.23 30.45 1gcf h LYS 52 CO 0.00 0.03 -0.52 0.20 -1.08 0.00 0.00 179.45 178.08 1gcf s GLY 53 N -2.38 0.13 0.22 3.86 0.00 -1.26 -5.17 107.32 102.72 1gcf s GLY 53 Ca -0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 1gcf s GLY 53 CO 0.67 -0.52 0.33 0.00 0.00 0.00 0.00 173.10 173.59 1gcf s ALA 54 N -2.02 0.30 0.00 3.20 0.00 -1.26 -4.95 121.76 117.03 1gcf s ALA 54 Ca -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1gcf s ALA 54 Cb -0.05 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.24 1gcf s ALA 54 CO -0.02 -0.74 0.37 -1.71 0.00 0.00 0.00 175.76 173.66 1gcf n ASN 55 N -0.32 0.70 -1.85 0.00 5.15 -1.26 -5.08 115.26 112.59 1gcf n ASN 55 Ca -0.01 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 1gcf n ASN 55 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1gcf n ASN 55 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1gcf n TRP 56 N -0.03 -4.26 -4.16 1.20 7.02 -1.26 -5.01 117.44 110.93 1gcf n TRP 56 Ca 0.00 2.56 -0.27 0.00 -1.02 0.00 0.00 57.50 58.77 1gcf n TRP 56 Cb 0.11 -3.46 -0.07 0.00 -2.42 0.00 0.00 31.31 25.47 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 -0.44 3.93 0.38 -0.99 2.01 -1.12 -4.96 115.64 114.44 1gcf s THR 57 Ca 0.00 -1.26 0.06 0.00 0.31 0.00 0.00 61.69 60.80 1gcf s THR 57 Cb 0.00 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 1gcf s THR 57 CO 0.00 -0.06 0.03 -0.76 -0.69 0.00 0.00 174.62 173.14 1gcf s LEU 58 N -2.82 2.61 -0.09 4.42 1.43 -1.26 -2.22 118.68 120.75 1gcf s LEU 58 Ca 0.28 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1gcf s LEU 58 Cb -0.10 -0.70 0.05 0.00 0.03 0.00 0.00 46.19 45.46 1gcf s LEU 58 CO 0.19 -0.52 0.19 -0.69 0.23 0.00 0.00 176.35 175.75 1gcf s VAL 59 N -2.93 -0.14 0.00 -1.59 1.01 -0.37 -4.94 120.40 111.44 1gcf s VAL 59 Ca 0.35 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1gcf s VAL 59 Cb 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1gcf s VAL 59 CO 0.17 0.09 0.00 0.49 0.00 0.00 0.00 175.10 175.85 1gcf n PHE 60 N 4.61 0.00 -4.46 5.22 3.72 -1.26 -1.28 117.46 124.01 1gcf n PHE 60 Ca -0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.80 1gcf n PHE 60 Cb 0.51 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.28 -4.47 1.38 1.44 -1.26 -4.85 115.22 106.18 1gcf n HIS 61 Ca 0.00 0.70 -0.32 0.00 -2.01 0.00 0.00 57.72 56.09 1gcf n HIS 61 Cb 0.00 -2.06 -0.11 0.00 0.12 0.00 0.00 29.99 27.94 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 -7.23 3.13 0.00 2.39 1.02 -1.22 -5.09 118.68 111.68 1gcf s LEU 62 Ca 0.81 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.79 1gcf s LEU 62 Cb -0.47 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 43.94 1gcf s LEU 62 CO 1.00 0.28 0.00 -0.81 0.02 0.00 0.00 176.35 176.84 1gcf n PRO 63 N 1.53 0.03 0.00 1.29 -0.04 -1.26 -3.04 135.00 133.50 1gcf n PRO 63 Ca -0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1gcf n PRO 63 Cb 0.52 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.06 1gcf n PRO 63 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gcf n SER 64 N -2.72 0.89 -3.26 3.54 3.41 -1.26 -4.20 113.62 110.01 1gcf n SER 64 Ca 0.00 -0.73 -0.04 0.00 -0.26 0.00 0.00 58.87 57.84 1gcf n SER 64 Cb 0.00 0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1gcf n SER 64 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gcf s SER 65 N -2.92 -0.43 -0.10 4.04 1.04 -1.26 -4.38 113.70 109.69 1gcf s SER 65 Ca 0.11 0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.87 1gcf s SER 65 Cb 0.17 1.54 -0.04 0.00 0.10 0.00 0.00 66.02 67.79 1gcf s SER 65 CO 0.75 -0.29 0.14 -0.75 0.98 0.00 0.00 173.24 174.06 1gcf s LYS 66 N 2.67 3.40 0.00 4.02 2.47 -1.22 -4.97 119.74 126.12 1gcf s LYS 66 Ca 0.15 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.38 1gcf s LYS 66 Cb -0.15 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 1gcf s LYS 66 CO -0.20 0.76 0.56 -3.47 0.16 0.00 0.00 175.35 173.16 1gcf n ASP 67 N 1.83 0.00 -3.52 1.43 -0.08 -1.26 -3.43 116.55 111.52 1gcf n ASP 67 Ca -0.18 0.64 -0.27 0.00 -1.51 0.00 0.00 54.79 53.46 1gcf n ASP 67 Cb 0.55 -0.27 -0.10 0.00 2.34 0.00 0.00 41.12 43.63 1gcf n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gcf n GLN 68 N -1.32 0.83 -1.33 -0.67 10.64 -1.26 -4.43 117.38 119.85 1gcf n GLN 68 Ca 0.00 -3.63 -0.44 0.00 -1.83 0.00 0.00 57.00 51.10 1gcf n GLN 68 Cb 0.00 -1.83 -0.01 0.00 -0.86 0.00 0.00 30.24 27.54 1gcf n GLN 68 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1gcf n PHE 69 N 2.33 -1.56 -3.85 2.61 -0.00 -0.35 -4.55 117.46 112.09 1gcf n PHE 69 Ca 0.26 0.74 -0.30 0.00 -0.00 0.00 0.00 57.45 58.15 1gcf n PHE 69 Cb 0.44 -1.84 -0.16 0.00 -0.00 0.00 0.00 39.48 37.93 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 -1.01 1.20 0.29 -4.13 2.12 -1.26 -1.37 118.70 114.54 1gcf s GLU 70 Ca 0.61 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 55.13 1gcf s GLU 70 Cb -0.73 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1gcf s GLU 70 CO 0.61 -0.69 0.12 -1.17 -0.54 0.00 0.00 175.26 173.59 1gcf s LEU 71 N 1.53 3.42 -0.22 2.70 2.96 -1.14 -4.97 118.68 122.97 1gcf s LEU 71 Ca -0.01 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 1gcf s LEU 71 Cb -0.18 -1.94 0.06 0.00 0.50 0.00 0.00 46.19 44.62 1gcf s LEU 71 CO -0.10 -0.13 0.57 0.00 -1.32 0.00 0.00 176.35 175.37 1gcf n GLY 73 N 3.00 1.95 2.81 0.00 0.00 -1.26 -5.04 105.19 106.65 1gcf n GLY 73 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1gcf n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gcf n LEU 74 N 0.00 6.62 -0.02 0.99 4.77 -1.26 -4.54 117.00 123.55 1gcf n LEU 74 Ca 0.00 -5.33 0.00 0.00 -0.03 0.00 0.00 56.01 50.66 1gcf n LEU 74 Cb 0.00 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1gcf n LEU 74 CO 0.00 1.90 0.21 0.00 -1.33 0.00 0.00 177.39 178.17 1gcf n HIS 75 N 0.61 0.00 0.56 -1.77 1.44 -1.26 -4.57 115.22 110.24 1gcf n HIS 75 Ca 0.36 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.17 1gcf n HIS 75 Cb 0.31 0.00 0.42 0.00 0.12 0.00 0.00 29.99 30.83 1gcf n HIS 75 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1gcf n GLN 76 N -0.18 0.07 -3.94 -1.40 -0.06 -1.26 -4.76 117.38 105.85 1gcf n GLN 76 Ca 0.00 0.25 -0.09 0.00 -2.00 0.00 0.00 57.00 55.16 1gcf n GLN 76 Cb 0.02 -1.62 -0.10 0.00 -4.06 0.00 0.00 30.24 24.47 1gcf n GLN 76 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1gcf s ALA 77 N -3.09 -0.04 0.10 1.69 0.00 -1.26 -4.86 121.76 114.30 1gcf s ALA 77 Ca 0.08 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1gcf s ALA 77 Cb 0.11 0.21 -0.16 0.00 0.00 0.00 0.00 23.12 23.28 1gcf s ALA 77 CO 0.37 -0.27 1.25 -1.00 0.00 0.00 0.00 175.76 176.10 1gcf h PRO 78 N 3.92 0.51 -5.02 0.00 0.13 -1.86 -3.44 132.00 126.24 1gcf h PRO 78 Ca -0.32 -0.57 -0.56 0.00 -0.87 0.00 0.00 66.00 63.68 1gcf h PRO 78 Cb 1.19 0.17 -0.32 0.00 0.13 0.00 0.00 31.00 32.16 1gcf h PRO 78 CO 0.48 1.20 -0.83 0.54 -0.23 0.00 0.00 178.00 179.15 1gcf s VAL 79 N -3.23 1.39 -0.04 1.56 0.11 -1.18 -4.44 120.40 114.57 1gcf s VAL 79 Ca -0.07 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1gcf s VAL 79 Cb 0.08 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1gcf s VAL 79 CO 0.89 0.41 -0.04 -0.31 -3.33 0.00 0.00 175.10 172.72 1gcf s TYR 80 N 0.30 3.00 0.16 1.54 1.51 -0.51 0.14 117.35 123.50 1gcf s TYR 80 Ca -0.10 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.08 1gcf s TYR 80 Cb -0.14 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1gcf s TYR 80 CO 0.04 0.40 0.04 0.99 -1.11 0.00 0.00 175.55 175.90 1gcf s THR 81 N -0.94 3.97 -0.14 -0.71 2.01 -0.50 -1.39 115.64 117.94 1gcf s THR 81 Ca 0.15 -1.27 -0.09 0.00 0.31 0.00 0.00 61.69 60.79 1gcf s THR 81 Cb -0.11 -2.99 0.05 0.00 0.01 0.00 0.00 72.50 69.46 1gcf s THR 81 CO 0.05 -0.08 0.35 -0.76 -0.69 0.00 0.00 174.62 173.49 1gcf s LEU 82 N -2.90 0.21 0.00 4.42 1.02 -0.35 -1.34 118.68 119.74 1gcf s LEU 82 Ca 0.28 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.18 1gcf s LEU 82 Cb -0.10 1.14 0.00 0.00 0.02 0.00 0.00 46.19 47.25 1gcf s LEU 82 CO 0.20 -0.17 0.00 1.67 0.02 0.00 0.00 176.35 178.07 1gcf n GLN 83 N 3.97 1.87 -3.69 1.70 -0.06 -0.44 -1.51 117.38 119.22 1gcf n GLN 83 Ca -0.22 -0.26 -0.10 0.00 -2.00 0.00 0.00 57.00 54.42 1gcf n GLN 83 Cb 0.55 0.07 -0.11 0.00 -4.06 0.00 0.00 30.24 26.69 1gcf n GLN 83 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 1gcf s MET 84 N -2.13 0.36 0.33 3.69 1.75 -1.17 -1.87 119.30 120.25 1gcf s MET 84 Ca 0.00 0.83 0.10 0.00 -1.25 0.00 0.00 55.69 55.37 1gcf s MET 84 Cb -0.00 0.05 -0.06 0.00 2.84 0.00 0.00 34.83 37.66 1gcf s MET 84 CO 0.00 -0.18 -0.11 0.50 -0.65 0.00 0.00 175.02 174.58 1gcf s ARG 85 N 1.70 1.78 0.30 4.11 3.52 -1.15 -1.20 118.95 128.01 1gcf s ARG 85 Ca -0.07 -1.90 -0.09 0.00 -0.13 0.00 0.00 55.73 53.53 1gcf s ARG 85 Cb -0.09 -1.67 0.01 0.00 -1.56 0.00 0.00 34.95 31.64 1gcf s ARG 85 CO -0.12 0.16 0.51 0.00 -0.81 0.00 0.00 175.30 175.03 1gcf n ILE 87 N -0.47 0.00 -2.67 0.00 3.06 -0.98 -3.42 119.36 114.89 1gcf n ILE 87 Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1gcf n ILE 87 Cb 0.62 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.80 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 0.00 2.72 -0.02 9.51 5.12 -1.26 -3.12 116.66 129.60 1gcf n ARG 88 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1gcf n ARG 88 Cb 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.34 1gcf n ARG 88 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1gcf n SER 89 N -0.73 2.06 -1.19 0.55 2.88 -1.16 -4.36 113.62 111.68 1gcf n SER 89 Ca 0.00 -2.27 -0.03 0.00 -1.33 0.00 0.00 58.87 55.24 1gcf n SER 89 Cb 0.00 -0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 1gcf n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1gcf n SER 90 N -0.74 -0.64 -2.94 -3.46 7.64 -1.26 -5.08 113.62 107.14 1gcf n SER 90 Ca 0.04 -1.30 0.03 0.00 1.01 0.00 0.00 58.87 58.65 1gcf n SER 90 Cb 0.36 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1gcf n SER 90 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1gcf s LEU 91 N -0.68 -0.53 0.67 -3.43 2.34 -1.26 -5.16 118.68 110.63 1gcf s LEU 91 Ca 0.01 -0.16 -0.11 0.00 0.06 0.00 0.00 54.13 53.93 1gcf s LEU 91 Cb 0.07 0.89 -0.01 0.00 -0.56 0.00 0.00 46.19 46.58 1gcf s LEU 91 CO -0.02 -0.07 1.06 -2.16 -1.06 0.00 0.00 176.35 174.09 1gcf s PRO 92 N 2.27 3.16 0.00 1.48 0.04 -1.26 -4.55 135.00 136.13 1gcf s PRO 92 Ca 0.18 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1gcf s PRO 92 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1gcf s PRO 92 CO -0.17 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1gcf n GLY 93 N -2.58 -0.79 0.10 0.56 0.00 -1.26 -4.95 105.19 96.27 1gcf n GLY 93 Ca 0.07 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 1gcf n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gcf n PHE 94 N 0.00 0.15 -1.27 1.61 7.35 -1.26 -4.95 117.46 119.10 1gcf n PHE 94 Ca 0.00 0.05 -0.11 0.00 -0.76 0.00 0.00 57.45 56.63 1gcf n PHE 94 Cb 0.00 -1.03 -0.05 0.00 0.35 0.00 0.00 39.48 38.75 1gcf n PHE 94 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1gcf n TRP 95 N -2.87 -0.15 -1.16 -5.13 7.02 -1.26 -4.61 117.44 109.28 1gcf n TRP 95 Ca -0.33 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.28 1gcf n TRP 95 Cb 1.12 -2.57 -0.05 0.00 -2.42 0.00 0.00 31.31 27.39 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 -0.66 -5.82 -4.73 -0.99 7.64 -1.22 -3.89 113.62 103.96 1gcf n SER 96 Ca -0.11 0.82 -0.41 0.00 1.01 0.00 0.00 58.87 60.17 1gcf n SER 96 Cb 0.50 -3.80 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 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 -3.66 4.64 -0.72 1.43 0.04 -1.26 -4.80 135.00 130.67 1gcf s PRO 97 Ca 0.00 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1gcf s PRO 97 Cb 0.00 -3.40 -0.14 0.00 0.04 0.00 0.00 34.50 31.00 1gcf s PRO 97 CO 0.00 0.16 2.41 0.91 0.04 0.00 0.00 177.00 180.52 1gcf n TRP 98 N 3.07 1.12 -1.52 0.56 7.02 -1.26 -4.79 117.44 121.64 1gcf n TRP 98 Ca 0.03 0.06 -0.40 0.00 -1.02 0.00 0.00 57.50 56.17 1gcf n TRP 98 Cb 0.50 -2.43 0.03 0.00 -2.42 0.00 0.00 31.31 26.99 1gcf n TRP 98 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1gcf n SER 99 N 16.12 -0.25 -4.62 -0.99 3.41 -0.34 -4.80 113.62 122.14 1gcf n SER 99 Ca 0.47 0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 59.50 1gcf n SER 99 Cb 0.42 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 1gcf n SER 99 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gcf s PRO 100 N -2.04 3.82 0.00 4.33 0.04 -1.26 -3.04 135.00 136.84 1gcf s PRO 100 Ca 0.67 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1gcf s PRO 100 Cb -0.50 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1gcf s PRO 100 CO 0.55 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1gcf n GLY 101 N 4.52 0.69 3.89 0.56 0.00 -1.24 -4.81 105.19 108.81 1gcf n GLY 101 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.01 0.45 0.99 2.34 -0.57 -4.99 118.68 116.89 1gcf s LEU 102 Ca 0.00 -0.50 0.05 0.00 0.06 0.00 0.00 54.13 53.73 1gcf s LEU 102 Cb 0.00 1.83 -0.05 0.00 -0.56 0.00 0.00 46.19 47.41 1gcf s LEU 102 CO 0.00 -0.75 0.01 0.00 -1.06 0.00 0.00 176.35 174.54 1gcf s GLN 103 N -2.19 2.06 0.05 1.48 -2.07 -1.26 -1.21 119.66 116.51 1gcf s GLN 103 Ca 0.23 -2.23 -0.09 0.00 -1.82 0.00 0.00 55.36 51.45 1gcf s GLN 103 Cb -0.02 -1.59 0.03 0.00 -1.09 0.00 0.00 33.01 30.35 1gcf s GLN 103 CO 0.03 -0.18 0.43 -0.11 -1.32 0.00 0.00 175.29 174.14 1gcf n LEU 104 N -1.09 0.00 -3.85 2.60 7.94 -0.49 -4.99 117.00 117.12 1gcf n LEU 104 Ca -0.11 -0.48 -0.30 0.00 -1.11 0.00 0.00 56.01 54.01 1gcf n LEU 104 Cb 0.67 1.02 -0.14 0.00 0.53 0.00 0.00 43.42 45.50 1gcf n LEU 104 CO 0.44 -0.16 -0.26 -0.13 -1.11 0.00 0.00 177.39 176.18 1gcf s ARG 105 N -2.02 1.43 0.11 1.96 0.52 -1.26 -1.42 118.95 118.27 1gcf s ARG 105 Ca 0.10 -2.00 -0.30 0.00 -0.52 0.00 0.00 55.73 53.01 1gcf s ARG 105 Cb -0.01 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.66 1gcf s ARG 105 CO 0.02 -1.07 1.03 -1.25 0.02 0.00 0.00 175.30 174.05 1gcf s PRO 106 N 0.50 4.62 0.03 3.54 0.04 -1.26 -4.68 135.00 137.78 1gcf s PRO 106 Ca 0.15 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1gcf s PRO 106 Cb -0.23 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1gcf s PRO 106 CO -0.06 0.09 0.00 0.25 0.04 0.00 0.00 177.00 177.32 1gcf n THR 107 N 2.93 -5.17 0.25 1.26 -2.24 -1.26 -4.73 114.28 105.33 1gcf n THR 107 Ca 0.04 1.25 0.09 0.00 -2.27 0.00 0.00 64.05 63.15 1gcf n THR 107 Cb 0.48 -3.06 0.64 0.00 -2.10 0.00 0.00 70.33 66.29 1gcf n THR 107 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1gcf h MET 108 N 3.99 0.00 0.00 -0.78 4.05 -1.93 -3.46 114.93 116.79 1gcf h MET 108 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1gcf h MET 108 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1gcf h MET 108 CO 0.00 0.11 0.00 1.17 0.23 0.00 0.00 176.91 178.42