#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fl1 n GLN 3 N 0.00 0.00 -0.73 0.00 6.02 -1.26 -5.00 117.38 116.41 1fl1 n GLN 3 Ca 0.00 0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 1fl1 n GLN 3 Cb 0.00 -0.42 0.15 0.00 1.02 0.00 0.00 30.24 30.98 1fl1 n GLN 3 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fl1 n GLY 4 N 2.03 -1.19 3.08 1.08 0.00 -1.26 -5.02 105.19 103.91 1fl1 n GLY 4 Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1fl1 n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fl1 s LEU 5 N -3.92 2.09 0.19 0.99 2.96 -1.26 -4.49 118.68 115.23 1fl1 s LEU 5 Ca 0.62 -0.66 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1fl1 s LEU 5 Cb -0.22 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1fl1 s LEU 5 CO 0.63 -0.04 0.02 -0.31 -1.32 0.00 0.00 176.35 175.33 1fl1 s TYR 6 N 1.34 2.86 0.00 5.38 2.02 -0.56 0.82 117.35 129.22 1fl1 s TYR 6 Ca 0.04 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1fl1 s TYR 6 Cb -0.14 -1.36 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1fl1 s TYR 6 CO -0.12 0.53 -0.04 0.54 -1.57 0.00 0.00 175.55 174.90 1fl1 s VAL 7 N -1.83 0.29 0.03 0.71 0.11 0.01 -2.43 120.40 117.28 1fl1 s VAL 7 Ca 0.28 -0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1fl1 s VAL 7 Cb -0.09 -0.28 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1fl1 s VAL 7 CO 0.19 -0.02 0.13 -0.83 -3.33 0.00 0.00 175.10 171.25 1fl1 s GLY 8 N -0.35 0.10 0.00 6.54 0.00 -0.67 -0.63 107.32 112.30 1fl1 s GLY 8 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1fl1 s GLY 8 CO -0.00 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.22 1fl1 n GLY 9 N 0.99 2.65 3.81 0.20 0.00 -0.79 -0.43 105.19 111.62 1fl1 n GLY 9 Ca -0.20 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1fl1 n GLY 9 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fl1 s PHE 10 N -2.00 3.47 -0.93 1.61 0.40 -1.26 -0.63 117.98 118.64 1fl1 s PHE 10 Ca 0.00 1.56 0.13 0.00 -0.60 0.00 0.00 56.93 58.02 1fl1 s PHE 10 Cb 0.00 -2.78 -0.07 0.00 0.51 0.00 0.00 43.02 40.68 1fl1 s PHE 10 CO 0.00 0.07 0.66 1.33 0.70 0.00 0.00 175.22 177.98 1fl1 n VAL 11 N -0.08 0.00 -3.58 -0.44 0.24 -0.51 -4.30 118.33 109.65 1fl1 n VAL 11 Ca 0.04 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.34 62.04 1fl1 n VAL 11 Cb 0.52 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 1fl1 n VAL 11 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1fl1 s ASP 12 N -1.92 -0.63 -0.47 -1.34 2.15 -1.23 -4.60 116.67 108.62 1fl1 s ASP 12 Ca 0.08 0.96 -0.07 0.00 0.43 0.00 0.00 52.55 53.95 1fl1 s ASP 12 Cb 0.10 1.44 0.12 0.00 -0.30 0.00 0.00 42.92 44.28 1fl1 s ASP 12 CO 0.43 -0.14 0.31 -0.69 -0.17 0.00 0.00 175.17 174.91 1fl1 s VAL 13 N 1.80 3.92 0.01 1.11 1.01 -1.26 -0.29 120.40 126.70 1fl1 s VAL 13 Ca -0.07 -1.95 -0.15 0.00 0.00 0.00 0.00 61.98 59.81 1fl1 s VAL 13 Cb -0.05 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1fl1 s VAL 13 CO -0.17 -0.76 1.02 1.62 0.00 0.00 0.00 175.10 176.81 1fl1 h VAL 14 N 6.13 0.00 -0.27 2.92 3.04 -0.87 -3.47 116.25 123.74 1fl1 h VAL 14 Ca -0.17 -0.10 0.08 0.00 -1.01 0.00 0.00 66.70 65.50 1fl1 h VAL 14 Cb 1.06 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1fl1 h VAL 14 CO 0.80 0.00 0.25 0.77 -1.01 0.00 0.00 177.57 178.38 1fl1 h SER 15 N -0.63 0.00 -0.45 3.17 4.64 -1.70 -3.48 113.55 115.09 1fl1 h SER 15 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1fl1 h SER 15 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1fl1 h SER 15 CO 0.09 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.26 1fl1 n GLU 38 N -3.98 0.00 -1.69 4.77 0.00 -1.26 -4.98 120.64 113.51 1fl1 n GLU 38 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.75 1fl1 n GLU 38 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 31.44 31.73 1fl1 n GLU 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1fl1 n PRO 39 N 0.63 2.34 -4.04 5.31 -0.04 -1.26 -4.97 135.00 132.97 1fl1 n PRO 39 Ca 0.00 0.84 -0.33 0.00 -0.04 0.00 0.00 63.50 63.97 1fl1 n PRO 39 Cb 0.00 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.79 1fl1 n PRO 39 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fl1 s LEU 40 N 0.64 4.04 0.52 1.53 1.43 -1.26 -4.87 118.68 120.72 1fl1 s LEU 40 Ca 0.74 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.85 1fl1 s LEU 40 Cb -0.61 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 1fl1 s LEU 40 CO 0.40 0.27 1.13 -2.16 0.23 0.00 0.00 176.35 176.22 1fl1 s PRO 41 N -1.80 3.47 -0.23 1.29 0.04 -1.26 -0.07 135.00 136.44 1fl1 s PRO 41 Ca 0.24 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 1fl1 s PRO 41 Cb -0.12 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1fl1 s PRO 41 CO 0.15 -0.75 0.07 0.42 0.04 0.00 0.00 177.00 176.93 1fl1 s ILE 42 N -1.74 4.40 0.41 0.56 1.01 -0.18 -1.92 121.20 123.75 1fl1 s ILE 42 Ca 0.71 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1fl1 s ILE 42 Cb -0.24 -3.04 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1fl1 s ILE 42 CO 0.28 0.36 0.04 0.35 0.00 0.00 0.00 174.94 175.97 1fl1 n THR 43 N 4.64 0.00 -4.15 2.92 -2.24 0.02 -0.11 114.28 115.36 1fl1 n THR 43 Ca -0.16 -2.05 -0.34 0.00 -2.27 0.00 0.00 64.05 59.22 1fl1 n THR 43 Cb 0.52 0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 69.11 1fl1 n THR 43 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fl1 s ILE 44 N -2.66 3.18 -1.30 2.28 1.01 -1.11 -0.40 121.20 122.20 1fl1 s ILE 44 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1fl1 s ILE 44 Cb 0.00 -2.41 0.10 0.00 0.01 0.00 0.00 42.46 40.16 1fl1 s ILE 44 CO 0.04 0.46 0.50 -0.62 0.00 0.00 0.00 174.94 175.32 1fl1 n GLU 45 N 4.43 -3.05 -1.08 2.79 -0.58 -0.42 -0.55 120.64 122.18 1fl1 n GLU 45 Ca -0.18 0.39 -0.03 0.00 -0.42 0.00 0.00 57.16 56.91 1fl1 n GLU 45 Cb 0.51 -5.07 -0.01 0.00 -0.57 0.00 0.00 31.44 26.30 1fl1 n GLU 45 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1fl1 n HIS 46 N -3.89 0.00 -2.53 -0.32 8.25 -1.26 -4.96 115.22 110.51 1fl1 n HIS 46 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1fl1 n HIS 46 Cb 0.52 -2.10 -0.03 0.00 1.12 0.00 0.00 29.99 29.50 1fl1 n HIS 46 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1fl1 s LEU 47 N -0.64 3.83 0.48 2.41 1.43 0.28 -5.03 118.68 121.44 1fl1 s LEU 47 Ca 0.00 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.80 1fl1 s LEU 47 Cb 0.00 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 1fl1 s LEU 47 CO 0.00 -0.78 1.01 -2.84 0.23 0.00 0.00 176.35 173.98 1fl1 s PRO 48 N -3.30 3.88 -1.65 1.29 0.02 -1.26 -3.75 135.00 130.24 1fl1 s PRO 48 Ca 0.67 1.24 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 1fl1 s PRO 48 Cb -0.16 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1fl1 s PRO 48 CO 0.21 -0.34 0.08 0.39 -0.33 0.00 0.00 177.00 177.00 1fl1 n GLU 49 N -1.03 -2.00 -1.04 5.54 1.02 -1.26 -4.66 120.64 117.21 1fl1 n GLU 49 Ca 0.08 0.94 -0.03 0.00 -0.02 0.00 0.00 57.16 58.14 1fl1 n GLU 49 Cb 0.53 -5.55 0.15 0.00 -0.02 0.00 0.00 31.44 26.55 1fl1 n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1fl1 n THR 50 N -4.08 2.26 -2.25 2.62 -2.24 -1.23 -1.86 114.28 107.50 1fl1 n THR 50 Ca -0.22 -3.49 -0.43 0.00 -2.27 0.00 0.00 64.05 57.65 1fl1 n THR 50 Cb 0.67 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 1fl1 n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fl1 s GLU 51 N -3.29 4.22 0.00 -0.78 2.02 -0.92 -2.76 118.70 117.20 1fl1 s GLU 51 Ca 0.42 1.88 0.11 0.00 0.02 0.00 0.00 54.97 57.40 1fl1 s GLU 51 Cb 0.38 -3.81 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 1fl1 s GLU 51 CO -0.04 -0.73 0.51 1.33 0.02 0.00 0.00 175.26 176.35 1fl1 n VAL 52 N 5.31 0.00 -1.35 2.63 0.24 0.85 -3.75 118.33 122.26 1fl1 n VAL 52 Ca 0.15 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1fl1 n VAL 52 Cb 0.44 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 1fl1 n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fl1 n GLY 53 N 1.22 -0.66 3.02 7.63 0.00 -1.22 -0.04 105.19 115.14 1fl1 n GLY 53 Ca 0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1fl1 n GLY 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fl1 s TRP 54 N -3.59 0.19 0.27 1.61 0.52 -0.97 -1.01 118.94 115.97 1fl1 s TRP 54 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 56.10 55.43 1fl1 s TRP 54 Cb 0.00 -0.14 -0.09 0.00 -1.15 0.00 0.00 33.47 32.08 1fl1 s TRP 54 CO 0.00 -0.22 1.15 0.95 0.02 0.00 0.00 176.95 178.85 1fl1 s THR 55 N -1.41 3.39 -2.19 2.01 -4.23 0.90 -1.29 115.64 112.83 1fl1 s THR 55 Ca -0.15 1.35 0.23 0.00 -1.18 0.00 0.00 61.69 61.94 1fl1 s THR 55 Cb -0.09 -3.86 0.57 0.00 1.34 0.00 0.00 72.50 70.46 1fl1 s THR 55 CO -0.00 0.30 1.49 0.18 -0.54 0.00 0.00 174.62 176.05 1fl1 n LEU 56 N 1.39 3.80 0.00 4.79 4.77 0.25 -4.02 117.00 127.98 1fl1 n LEU 56 Ca 0.00 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1fl1 n LEU 56 Cb 0.44 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1fl1 n LEU 56 CO 0.55 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 1fl1 n GLY 57 N 1.62 4.53 3.10 -0.72 0.00 -1.15 -4.75 105.19 107.82 1fl1 n GLY 57 Ca 0.23 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1fl1 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fl1 s LEU 58 N 0.00 2.01 -0.03 0.99 1.43 -1.26 -1.89 118.68 119.93 1fl1 s LEU 58 Ca 0.00 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1fl1 s LEU 58 Cb 0.00 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1fl1 s LEU 58 CO 0.00 0.00 -0.15 -0.36 0.23 0.00 0.00 176.35 176.07 1fl1 s PHE 59 N 1.25 2.68 -0.49 0.29 0.08 0.98 -4.96 117.98 117.82 1fl1 s PHE 59 Ca 0.03 -0.17 -0.23 0.00 0.12 0.00 0.00 56.93 56.68 1fl1 s PHE 59 Cb -0.13 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1fl1 s PHE 59 CO -0.10 0.20 0.81 -1.14 -0.10 0.00 0.00 175.22 174.89 1fl1 s GLN 60 N -0.88 3.35 0.38 0.44 0.74 -1.26 -0.58 119.66 121.85 1fl1 s GLN 60 Ca 0.12 -0.25 0.08 0.00 0.05 0.00 0.00 55.36 55.36 1fl1 s GLN 60 Cb -0.11 -3.99 -0.07 0.00 1.10 0.00 0.00 33.01 29.95 1fl1 s GLN 60 CO 0.02 -1.24 0.01 0.14 -0.55 0.00 0.00 175.29 173.67 1fl1 s VAL 61 N 3.39 2.23 0.19 1.34 -7.23 0.13 -4.99 120.40 115.45 1fl1 s VAL 61 Ca 0.28 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 1fl1 s VAL 61 Cb -0.13 -2.87 0.14 0.00 0.56 0.00 0.00 36.38 34.08 1fl1 s VAL 61 CO 0.20 -0.09 1.60 0.28 -0.31 0.00 0.00 175.10 176.78 1fl1 h SER 62 N 1.79 -1.01 -0.02 4.85 0.02 -1.95 -1.99 113.55 115.24 1fl1 h SER 62 Ca -0.43 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1fl1 h SER 62 Cb 1.25 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1fl1 h SER 62 CO 0.74 -0.29 0.00 1.41 -1.14 0.00 0.00 176.83 177.55 1fl1 n HIS 63 N -5.43 0.03 0.00 3.45 8.25 -1.26 -4.40 115.22 115.85 1fl1 n HIS 63 Ca 0.04 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1fl1 n HIS 63 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1fl1 n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fl1 n GLY 64 N 0.93 -0.00 3.21 -1.41 0.00 -0.75 -0.15 105.19 107.02 1fl1 n GLY 64 Ca 0.18 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1fl1 n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fl1 s ILE 65 N -4.00 3.41 -0.04 -0.61 1.01 0.60 -0.69 121.20 120.88 1fl1 s ILE 65 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 60.65 59.16 1fl1 s ILE 65 Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1fl1 s ILE 65 CO 0.00 -0.22 0.36 0.12 0.00 0.00 0.00 174.94 175.21 1fl1 s PHE 66 N 1.31 3.68 0.06 3.97 2.19 0.26 -1.42 117.98 128.03 1fl1 s PHE 66 Ca -0.02 0.89 0.08 0.00 0.33 0.00 0.00 56.93 58.21 1fl1 s PHE 66 Cb -0.20 -2.26 -0.03 0.00 -1.31 0.00 0.00 43.02 39.22 1fl1 s PHE 66 CO 0.00 0.60 -0.19 0.00 1.83 0.00 0.00 175.22 177.46 1fl1 s THR 68 N -0.96 0.43 0.18 0.00 2.01 -0.79 -1.89 115.64 114.62 1fl1 s THR 68 Ca 0.15 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1fl1 s THR 68 Cb -0.10 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1fl1 s THR 68 CO 0.06 0.14 0.37 -0.83 -0.69 0.00 0.00 174.62 173.67 1fl1 s GLY 69 N 0.18 0.37 -0.11 4.40 0.00 0.19 0.88 107.32 113.24 1fl1 s GLY 69 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.99 1fl1 s GLY 69 CO -0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 173.10 172.19 1fl1 s ALA 70 N -3.96 2.23 -0.44 3.20 0.00 -0.41 -0.81 121.76 121.57 1fl1 s ALA 70 Ca 0.16 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.94 1fl1 s ALA 70 Cb 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.29 1fl1 s ALA 70 CO 0.01 0.27 0.69 0.42 0.00 0.00 0.00 175.76 177.15 1fl1 s ILE 71 N 0.36 4.77 0.00 0.00 -1.09 0.24 -2.28 121.20 123.20 1fl1 s ILE 71 Ca -0.17 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1fl1 s ILE 71 Cb -0.18 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1fl1 s ILE 71 CO 0.08 -0.63 0.00 0.35 -1.23 0.00 0.00 174.94 173.51 1fl1 n THR 72 N 5.94 0.00 -1.62 2.92 -2.24 -0.23 -4.04 114.28 115.01 1fl1 n THR 72 Ca -0.00 -0.30 -0.49 0.00 -2.27 0.00 0.00 64.05 60.99 1fl1 n THR 72 Cb 0.48 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 1fl1 n THR 72 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1fl1 n SER 73 N -1.09 3.08 -0.28 3.42 2.88 0.95 -4.84 113.62 117.73 1fl1 n SER 73 Ca 0.00 0.77 -0.06 0.00 -1.33 0.00 0.00 58.87 58.25 1fl1 n SER 73 Cb 0.00 -1.35 0.07 0.00 -0.75 0.00 0.00 64.21 62.17 1fl1 n SER 73 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1fl1 h PRO 74 N 10.49 1.19 -0.11 -1.46 0.11 -1.93 -0.61 132.00 139.67 1fl1 h PRO 74 Ca -0.43 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 65.44 1fl1 h PRO 74 Cb 1.28 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fl1 h PRO 74 CO 0.97 0.97 0.04 0.00 -0.21 0.00 0.00 178.00 179.77 1fl1 h ALA 75 N 1.16 0.15 -0.73 -0.75 0.00 -1.93 -1.48 119.26 115.70 1fl1 h ALA 75 Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1fl1 h ALA 75 Cb 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1fl1 h ALA 75 CO -0.02 -0.24 0.39 0.35 0.00 0.00 0.00 179.25 179.74 1fl1 h PHE 76 N 0.00 1.00 -0.52 0.00 3.04 -1.87 -1.08 116.94 117.51 1fl1 h PHE 76 Ca 0.04 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 1fl1 h PHE 76 Cb 0.22 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 1fl1 h PHE 76 CO -0.00 0.71 0.02 -0.07 -2.02 0.00 0.00 178.31 176.95 1fl1 h LEU 77 N 1.00 0.82 -0.43 0.59 3.38 -1.01 0.14 115.31 119.81 1fl1 h LEU 77 Ca 0.26 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1fl1 h LEU 77 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1fl1 h LEU 77 CO -0.04 0.87 0.02 -0.33 0.09 0.00 0.00 178.44 179.05 1fl1 h GLU 78 N 0.80 0.74 0.20 1.13 5.08 -0.91 0.02 114.58 121.63 1fl1 h GLU 78 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1fl1 h GLU 78 Cb 0.45 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1fl1 h GLU 78 CO 0.02 0.80 -0.09 1.25 -1.00 0.00 0.00 179.01 179.98 1fl1 h LEU 79 N 0.58 -0.22 -0.78 1.33 6.46 -0.78 0.36 115.31 122.25 1fl1 h LEU 79 Ca 0.12 -0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1fl1 h LEU 79 Cb 0.45 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 1fl1 h LEU 79 CO 0.02 -0.09 0.46 0.00 -0.62 0.00 0.00 178.44 178.21 1fl1 h ALA 80 N 0.44 1.07 -0.55 1.25 0.00 -0.67 0.25 119.26 121.06 1fl1 h ALA 80 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1fl1 h ALA 80 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1fl1 h ALA 80 CO 0.04 0.16 0.18 1.03 0.00 0.00 0.00 179.25 180.66 1fl1 h SER 81 N 0.83 0.79 -0.81 0.00 0.87 -0.66 -0.03 113.55 114.55 1fl1 h SER 81 Ca 0.35 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1fl1 h SER 81 Cb 0.21 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1fl1 h SER 81 CO -0.19 0.78 0.39 -0.09 -0.53 0.00 0.00 176.83 177.20 1fl1 h ARG 82 N 0.76 1.17 -0.58 2.24 9.65 0.93 -2.25 114.38 126.30 1fl1 h ARG 82 Ca 0.18 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 1fl1 h ARG 82 Cb 0.27 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1fl1 h ARG 82 CO -0.01 0.90 -0.03 -0.07 2.80 0.00 0.00 179.97 183.56 1fl1 h LEU 83 N 1.15 1.03 -1.29 3.80 3.38 -0.12 -3.02 115.31 120.24 1fl1 h LEU 83 Ca 0.28 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1fl1 h LEU 83 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1fl1 h LEU 83 CO -0.04 1.10 -0.06 0.00 0.09 0.00 0.00 178.44 179.54 1fl1 h ALA 84 N 0.96 1.42 -0.68 1.53 0.00 -0.69 -1.89 119.26 119.91 1fl1 h ALA 84 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fl1 h ALA 84 Cb 0.59 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1fl1 h ALA 84 CO 0.04 0.41 0.42 -0.44 0.00 0.00 0.00 179.25 179.67 1fl1 h ASP 85 N 0.39 0.68 -0.01 0.00 3.32 -1.28 -3.01 116.42 116.52 1fl1 h ASP 85 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1fl1 h ASP 85 Cb 0.35 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1fl1 h ASP 85 CO 0.02 0.47 -0.25 0.35 -1.72 0.00 0.00 179.24 178.10 1fl1 n THR 86 N -4.69 0.00 -2.08 0.35 -2.24 -1.15 -4.80 114.28 99.68 1fl1 n THR 86 Ca 0.07 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 1fl1 n THR 86 Cb 0.10 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1fl1 n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1fl1 s SER 87 N -2.26 6.05 0.62 3.42 0.15 -0.72 -4.92 113.70 116.04 1fl1 s SER 87 Ca 0.23 1.66 0.32 0.00 0.70 0.00 0.00 55.95 58.87 1fl1 s SER 87 Cb 0.19 -2.51 1.82 0.00 -1.71 0.00 0.00 66.02 63.81 1fl1 s SER 87 CO 0.45 -0.98 2.13 -0.74 1.20 0.00 0.00 173.24 175.30 1fl1 h HIS 88 N 0.35 0.00 0.00 3.44 -0.00 -1.90 -1.48 115.15 115.56 1fl1 h HIS 88 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.88 1fl1 h HIS 88 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.61 1fl1 h HIS 88 CO 0.62 0.00 -0.15 -0.39 -0.00 0.00 0.00 177.93 178.00 1fl1 h VAL 89 N 0.00 0.98 0.00 5.26 -1.51 -1.91 -0.20 116.25 118.86 1fl1 h VAL 89 Ca 0.05 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1fl1 h VAL 89 Cb 0.40 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1fl1 h VAL 89 CO -0.00 0.15 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 1fl1 n ALA 90 N -2.45 1.94 0.33 5.19 0.00 -0.56 -3.15 120.51 121.81 1fl1 n ALA 90 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1fl1 n ALA 90 Cb 0.23 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 1fl1 n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fl1 n ARG 91 N -2.21 3.24 -1.79 0.00 1.74 -0.47 -5.01 116.66 112.16 1fl1 n ARG 91 Ca 0.04 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1fl1 n ARG 91 Cb 0.31 -0.98 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 1fl1 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fl1 s ALA 92 N -2.01 3.84 0.53 7.54 0.00 -0.21 -4.95 121.76 126.49 1fl1 s ALA 92 Ca 0.02 1.54 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 1fl1 s ALA 92 Cb 0.07 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1fl1 s ALA 92 CO 0.37 -0.91 1.30 -2.14 0.00 0.00 0.00 175.76 174.38 1fl1 s PRO 93 N 0.58 3.29 0.37 0.00 0.02 -1.26 -4.95 135.00 133.04 1fl1 s PRO 93 Ca 0.70 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 63.54 1fl1 s PRO 93 Cb -0.48 -2.28 -0.11 0.00 0.02 0.00 0.00 34.50 31.65 1fl1 s PRO 93 CO 0.37 -1.03 1.51 0.08 -0.33 0.00 0.00 177.00 177.60 1fl1 s VAL 94 N -1.37 2.00 0.00 3.83 1.01 -1.26 -4.98 120.40 119.63 1fl1 s VAL 94 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1fl1 s VAL 94 Cb -0.37 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1fl1 s VAL 94 CO 0.44 0.00 0.00 2.29 0.00 0.00 0.00 175.10 177.83 1fl1 n LYS 95 N 0.64 0.00 -0.01 2.72 0.00 -1.26 -4.98 118.16 115.27 1fl1 n LYS 95 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.34 1fl1 n LYS 95 Cb 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.38 1fl1 n LYS 95 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1fl1 n ASN 96 N -0.22 3.85 -4.68 -5.58 3.02 -1.26 -5.05 115.26 105.34 1fl1 n ASN 96 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 1fl1 n ASN 96 Cb 0.00 0.99 -0.07 0.00 -0.61 0.00 0.00 39.78 40.10 1fl1 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fl1 s LEU 97 N -3.73 3.28 0.47 3.41 1.43 -1.26 -5.10 118.68 117.18 1fl1 s LEU 97 Ca -0.02 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 1fl1 s LEU 97 Cb 0.03 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 1fl1 s LEU 97 CO 0.20 -0.05 1.03 -2.16 0.23 0.00 0.00 176.35 175.60 1fl1 s PRO 98 N -3.72 3.87 0.15 1.29 0.04 -1.26 -4.86 135.00 130.50 1fl1 s PRO 98 Ca 0.33 1.37 -0.34 0.00 0.04 0.00 0.00 61.00 62.39 1fl1 s PRO 98 Cb -0.06 -2.15 -0.15 0.00 0.04 0.00 0.00 34.50 32.19 1fl1 s PRO 98 CO 0.21 -0.38 1.48 1.63 0.04 0.00 0.00 177.00 179.98 1fl1 n LYS 99 N -0.85 1.83 -3.15 4.56 4.76 -1.26 -4.95 118.16 119.11 1fl1 n LYS 99 Ca 0.09 0.66 -0.22 0.00 -2.87 0.00 0.00 58.31 55.97 1fl1 n LYS 99 Cb 0.52 -2.37 -0.06 0.00 -1.84 0.00 0.00 35.03 31.28 1fl1 n LYS 99 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1fl1 n GLU 100 N 2.94 0.62 -0.33 1.97 -0.58 -1.26 -5.02 120.64 118.98 1fl1 n GLU 100 Ca 0.17 -2.97 0.15 0.00 -0.42 0.00 0.00 57.16 54.09 1fl1 n GLU 100 Cb 0.26 -1.34 0.31 0.00 -0.57 0.00 0.00 31.44 30.11 1fl1 n GLU 100 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1fl1 h PRO 101 N 4.33 0.05 0.01 3.49 0.11 -1.92 0.17 132.00 138.24 1fl1 h PRO 101 Ca 0.08 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1fl1 h PRO 101 Cb 0.91 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1fl1 h PRO 101 CO 0.41 0.03 -0.01 1.25 -0.21 0.00 0.00 178.00 179.48 1fl1 h LEU 102 N 0.05 -0.01 -0.76 2.35 5.85 -1.94 0.78 115.31 121.63 1fl1 h LEU 102 Ca 0.60 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 1fl1 h LEU 102 Cb 1.28 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1fl1 h LEU 102 CO -0.85 0.14 0.39 -0.07 -0.34 0.00 0.00 178.44 177.71 1fl1 h LEU 103 N -0.17 0.97 -0.64 2.25 4.07 -1.51 -2.19 115.31 118.10 1fl1 h LEU 103 Ca -0.00 -0.12 -0.15 0.00 0.08 0.00 0.00 57.88 57.70 1fl1 h LEU 103 Cb 0.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1fl1 h LEU 103 CO 0.00 0.81 -0.54 -0.33 -1.08 0.00 0.00 178.44 177.31 1fl1 h GLU 104 N 1.06 0.40 -0.03 1.13 5.08 -0.59 -2.19 114.58 119.45 1fl1 h GLU 104 Ca 0.26 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1fl1 h GLU 104 Cb 0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1fl1 h GLU 104 CO -0.04 0.84 -0.77 0.97 -1.00 0.00 0.00 179.01 179.01 1fl1 h ILE 105 N 0.31 1.45 -0.41 3.13 6.09 -0.70 -2.29 117.51 125.09 1fl1 h ILE 105 Ca 0.01 -2.37 -0.09 0.00 -1.37 0.00 0.00 64.86 61.04 1fl1 h ILE 105 Cb 1.04 2.28 -0.02 0.00 0.47 0.00 0.00 36.82 40.60 1fl1 h ILE 105 CO 0.09 0.69 -0.11 -0.07 -3.07 0.00 0.00 178.15 175.69 1fl1 h LEU 106 N 0.13 0.71 -0.54 2.19 3.38 -1.27 0.16 115.31 120.07 1fl1 h LEU 106 Ca -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1fl1 h LEU 106 Cb 1.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1fl1 h LEU 106 CO 0.12 0.85 0.00 0.45 0.09 0.00 0.00 178.44 179.95 1fl1 h HIS 107 N 0.66 0.00 0.07 1.13 3.86 -1.24 0.23 115.15 119.86 1fl1 h HIS 107 Ca 0.11 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.96 1fl1 h HIS 107 Cb 0.57 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 1fl1 h HIS 107 CO 0.03 0.00 -2.08 2.41 0.86 0.00 0.00 177.93 179.15 1fl1 n THR 108 N -2.55 1.67 -0.08 2.45 -1.04 -0.77 -4.16 114.28 109.80 1fl1 n THR 108 Ca 0.03 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.05 61.25 1fl1 n THR 108 Cb 0.35 -1.48 -0.08 0.00 -1.82 0.00 0.00 70.33 67.30 1fl1 n THR 108 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1fl1 h TRP 109 N 0.04 0.00 -2.10 -1.42 7.01 -0.69 -3.43 115.95 115.36 1fl1 h TRP 109 Ca -0.44 0.00 -0.57 0.00 2.11 0.00 0.00 58.89 59.98 1fl1 h TRP 109 Cb 2.02 0.00 -0.41 0.00 -2.10 0.00 0.00 29.16 28.67 1fl1 h TRP 109 CO 0.05 0.78 -0.86 1.28 -2.79 0.00 0.00 178.44 176.91 1fl1 n LEU 110 N -4.59 2.07 0.00 0.65 4.77 0.79 -4.24 117.00 116.45 1fl1 n LEU 110 Ca -0.14 -5.11 0.14 0.00 -0.03 0.00 0.00 56.01 50.87 1fl1 n LEU 110 Cb 0.41 -0.01 0.73 0.00 -2.33 0.00 0.00 43.42 42.22 1fl1 n LEU 110 CO 0.19 2.10 0.99 -0.81 -1.33 0.00 0.00 177.39 178.52 1fl1 n PRO 111 N 0.99 0.48 -4.34 3.23 -0.04 -1.05 -4.48 135.00 129.79 1fl1 n PRO 111 Ca 0.26 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.50 1fl1 n PRO 111 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1fl1 n PRO 111 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1fl1 s GLY 112 N -2.47 1.84 0.12 0.55 0.00 -0.04 -0.86 107.32 106.46 1fl1 s GLY 112 Ca 0.29 -1.80 0.09 0.00 0.00 0.00 0.00 44.72 43.30 1fl1 s GLY 112 CO 0.41 -1.83 -0.22 1.08 0.00 0.00 0.00 173.10 172.54 1fl1 s LEU 113 N -3.65 2.34 -0.22 0.66 1.43 -0.10 0.23 118.68 119.36 1fl1 s LEU 113 Ca 0.32 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1fl1 s LEU 113 Cb -0.04 -0.95 0.09 0.00 0.03 0.00 0.00 46.19 45.32 1fl1 s LEU 113 CO 0.19 0.07 0.51 -0.55 0.23 0.00 0.00 176.35 176.79 1fl1 s SER 114 N -2.12 -0.62 -0.12 2.29 0.15 -0.28 -4.32 113.70 108.68 1fl1 s SER 114 Ca 0.10 1.17 -0.19 0.00 0.70 0.00 0.00 55.95 57.73 1fl1 s SER 114 Cb -0.09 1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 1fl1 s SER 114 CO 0.05 -0.22 0.54 -0.22 1.20 0.00 0.00 173.24 174.59 1fl1 s LEU 115 N 2.19 4.26 0.00 3.45 2.96 -1.26 -0.34 118.68 129.93 1fl1 s LEU 115 Ca -0.06 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.72 1fl1 s LEU 115 Cb -0.10 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1fl1 s LEU 115 CO -0.15 -0.06 0.77 -1.54 -1.32 0.00 0.00 176.35 174.05 1fl1 n SER 116 N 3.91 0.00 -4.30 3.68 3.41 0.08 -4.99 113.62 115.41 1fl1 n SER 116 Ca -0.05 0.83 -0.34 0.00 -0.26 0.00 0.00 58.87 59.05 1fl1 n SER 116 Cb 0.51 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.92 1fl1 n SER 116 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1fl1 s PHE 132 N -2.34 2.89 -0.10 7.33 0.08 -1.26 -4.64 117.98 119.93 1fl1 s PHE 132 Ca 0.00 -0.94 -0.05 0.00 0.12 0.00 0.00 56.93 56.07 1fl1 s PHE 132 Cb 0.00 -1.99 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1fl1 s PHE 132 CO 0.00 -0.47 -0.09 1.96 -0.10 0.00 0.00 175.22 176.52 1fl1 h GLN 133 N 7.61 0.00 -3.69 0.44 1.08 -1.98 -3.49 115.11 115.08 1fl1 h GLN 133 Ca -0.37 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.73 1fl1 h GLN 133 Cb 1.17 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.53 1fl1 h GLN 133 CO 0.59 0.00 -0.09 -3.38 -0.95 0.00 0.00 178.83 175.00 1fl1 s HIS 134 N -1.80 0.50 -0.13 2.96 -3.43 -1.26 -4.11 115.29 108.01 1fl1 s HIS 134 Ca -0.07 -0.86 0.02 0.00 -0.80 0.00 0.00 55.06 53.34 1fl1 s HIS 134 Cb 0.01 0.20 0.02 0.00 -1.43 0.00 0.00 32.58 31.37 1fl1 s HIS 134 CO 0.11 -1.09 -0.17 0.08 -2.00 0.00 0.00 174.74 171.67 1fl1 s VAL 135 N -3.63 1.72 -0.07 -5.38 1.01 -0.81 -0.74 120.40 112.51 1fl1 s VAL 135 Ca 0.24 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1fl1 s VAL 135 Cb -0.01 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1fl1 s VAL 135 CO 0.12 0.48 -0.01 -0.44 0.00 0.00 0.00 175.10 175.26 1fl1 s SER 136 N 1.09 5.14 -0.10 3.32 0.01 0.53 -0.80 113.70 122.90 1fl1 s SER 136 Ca -0.03 0.09 -0.23 0.00 1.31 0.00 0.00 55.95 57.10 1fl1 s SER 136 Cb -0.14 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.65 1fl1 s SER 136 CO -0.05 0.36 0.68 -0.76 0.41 0.00 0.00 173.24 173.88 1fl1 s LEU 137 N -1.02 4.28 0.28 2.44 1.43 0.46 -1.12 118.68 125.43 1fl1 s LEU 137 Ca 0.14 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1fl1 s LEU 137 Cb -0.11 -3.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.01 1fl1 s LEU 137 CO 0.04 -0.16 0.05 0.00 0.23 0.00 0.00 176.35 176.51 1fl1 h ALA 139 N 2.29 1.28 -1.87 0.00 0.00 -1.85 -0.00 119.26 119.11 1fl1 h ALA 139 Ca -0.39 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.23 1fl1 h ALA 139 Cb 1.24 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 1fl1 h ALA 139 CO 0.66 0.43 0.17 -1.17 0.00 0.00 0.00 179.25 179.33 1fl1 s LEU 140 N -7.81 -0.76 0.60 0.00 2.96 -1.26 -4.46 118.68 107.95 1fl1 s LEU 140 Ca -0.02 1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 55.01 1fl1 s LEU 140 Cb 0.13 2.23 -0.03 0.00 0.50 0.00 0.00 46.19 49.02 1fl1 s LEU 140 CO 0.70 -0.21 1.15 -0.83 -1.32 0.00 0.00 176.35 175.83 1fl1 s GLY 141 N 1.13 2.49 0.13 7.98 0.00 -1.26 -4.86 107.32 112.93 1fl1 s GLY 141 Ca -0.06 0.79 -0.13 0.00 0.00 0.00 0.00 44.72 45.32 1fl1 s GLY 141 CO -0.13 1.15 1.51 3.21 0.00 0.00 0.00 173.10 178.85 1fl1 h ARG 142 N 0.66 0.84 -6.06 2.90 -0.00 -1.96 -3.43 114.38 107.32 1fl1 h ARG 142 Ca -0.49 -0.36 -0.58 0.00 -0.50 0.00 0.00 59.98 58.05 1fl1 h ARG 142 Cb 1.27 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 31.17 1fl1 h ARG 142 CO 0.55 1.00 -0.51 1.03 0.00 0.00 0.00 179.97 182.04 1fl1 s ARG 143 N -4.64 3.27 0.43 0.04 0.52 -1.26 -5.09 118.95 112.22 1fl1 s ARG 143 Ca -0.12 -0.62 -0.23 0.00 -0.52 0.00 0.00 55.73 54.24 1fl1 s ARG 143 Cb 0.11 -2.90 -0.08 0.00 0.52 0.00 0.00 34.95 32.59 1fl1 s ARG 143 CO 0.84 0.54 1.08 1.03 0.02 0.00 0.00 175.30 178.81 1fl1 s ARG 144 N -2.93 4.02 0.00 3.54 1.81 -1.26 -3.59 118.95 120.53 1fl1 s ARG 144 Ca 0.33 1.56 0.00 0.00 -1.72 0.00 0.00 55.73 55.90 1fl1 s ARG 144 Cb -0.11 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 1fl1 s ARG 144 CO 0.27 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 175.01 1fl1 n GLY 145 N 0.29 0.74 1.81 -3.53 0.00 -1.26 -4.51 105.19 98.73 1fl1 n GLY 145 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1fl1 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fl1 n THR 146 N -2.39 2.52 -2.65 2.61 -2.24 -1.24 -4.42 114.28 106.48 1fl1 n THR 146 Ca 0.00 -1.40 -0.40 0.00 -2.27 0.00 0.00 64.05 59.98 1fl1 n THR 146 Cb 0.00 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 1fl1 n THR 146 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fl1 s VAL 147 N -2.22 4.01 0.46 2.28 0.11 -1.26 -0.93 120.40 122.85 1fl1 s VAL 147 Ca 0.34 1.88 -0.02 0.00 -2.93 0.00 0.00 61.98 61.25 1fl1 s VAL 147 Cb 0.28 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.91 1fl1 s VAL 147 CO 0.04 0.39 0.71 0.00 -3.33 0.00 0.00 175.10 172.91 1fl1 s ALA 148 N -0.75 3.55 -0.14 1.54 0.00 -0.04 -4.41 121.76 121.51 1fl1 s ALA 148 Ca 0.44 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1fl1 s ALA 148 Cb -0.27 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1fl1 s ALA 148 CO 0.34 -0.34 -0.07 0.08 0.00 0.00 0.00 175.76 175.77 1fl1 s VAL 149 N -2.62 1.14 -0.04 0.00 1.01 0.43 -4.92 120.40 115.39 1fl1 s VAL 149 Ca 0.47 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1fl1 s VAL 149 Cb -0.10 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1fl1 s VAL 149 CO 0.41 0.25 0.16 -0.31 0.00 0.00 0.00 175.10 175.61 1fl1 s TYR 150 N 1.64 3.54 0.04 5.22 2.02 -1.26 -1.66 117.35 126.88 1fl1 s TYR 150 Ca 0.03 0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 1fl1 s TYR 150 Cb -0.14 -1.85 0.10 0.00 -0.40 0.00 0.00 41.96 39.67 1fl1 s TYR 150 CO -0.08 0.66 1.17 0.20 -1.57 0.00 0.00 175.55 175.93 1fl1 s GLY 151 N -1.64 -0.35 0.06 0.71 0.00 -1.02 -4.86 107.32 100.23 1fl1 s GLY 151 Ca 0.23 0.51 0.22 0.00 0.00 0.00 0.00 44.72 45.68 1fl1 s GLY 151 CO 0.14 0.09 0.83 1.42 0.00 0.00 0.00 173.10 175.57 1fl1 n HIS 152 N -0.47 0.36 -3.68 1.90 8.25 -1.26 -1.50 115.22 118.82 1fl1 n HIS 152 Ca -0.08 0.10 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1fl1 n HIS 152 Cb 0.62 -0.59 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 1fl1 n HIS 152 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1fl1 s ASP 153 N -4.51 5.49 0.26 0.41 -1.08 -1.26 -4.65 116.67 111.34 1fl1 s ASP 153 Ca -0.02 -1.30 -0.01 0.00 -0.52 0.00 0.00 52.55 50.70 1fl1 s ASP 153 Cb 0.13 -1.93 0.48 0.00 -1.46 0.00 0.00 42.92 40.14 1fl1 s ASP 153 CO 0.84 -0.42 1.82 0.00 0.52 0.00 0.00 175.17 177.93 1fl1 h ALA 154 N 8.31 1.35 -0.64 3.66 0.00 -1.97 0.57 119.26 130.55 1fl1 h ALA 154 Ca -0.23 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1fl1 h ALA 154 Cb 1.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1fl1 h ALA 154 CO 0.67 0.15 0.12 1.49 0.00 0.00 0.00 179.25 181.68 1fl1 h GLU 155 N 0.88 1.06 -0.54 0.00 4.81 -1.98 -1.25 114.58 117.55 1fl1 h GLU 155 Ca 0.45 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1fl1 h GLU 155 Cb 0.45 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1fl1 h GLU 155 CO -0.26 0.97 0.12 2.35 -0.73 0.00 0.00 179.01 181.45 1fl1 h TRP 156 N 0.97 0.92 0.50 0.92 7.01 -1.69 0.33 115.95 124.92 1fl1 h TRP 156 Ca 0.20 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1fl1 h TRP 156 Cb 0.42 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1fl1 h TRP 156 CO 0.03 0.81 -0.36 0.28 -2.79 0.00 0.00 178.44 176.41 1fl1 h VAL 157 N 0.77 0.26 -0.51 2.65 2.07 -0.58 -2.41 116.25 118.50 1fl1 h VAL 157 Ca 0.17 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 1fl1 h VAL 157 Cb 0.36 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1fl1 h VAL 157 CO 0.00 0.00 0.21 0.58 0.02 0.00 0.00 177.57 178.38 1fl1 h VAL 158 N -0.84 1.19 0.00 2.57 2.07 -1.19 -2.00 116.25 118.04 1fl1 h VAL 158 Ca -0.05 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1fl1 h VAL 158 Cb 0.71 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1fl1 h VAL 158 CO 0.02 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.29 1fl1 n SER 159 N -4.35 0.59 0.24 0.57 3.41 0.10 -1.95 113.62 112.22 1fl1 n SER 159 Ca 0.04 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1fl1 n SER 159 Cb 0.15 -0.80 0.52 0.00 -0.26 0.00 0.00 64.21 63.82 1fl1 n SER 159 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1fl1 h ARG 160 N 0.00 0.00 -4.81 4.33 2.47 -0.87 -3.40 114.38 112.09 1fl1 h ARG 160 Ca 0.00 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 58.02 1fl1 h ARG 160 Cb 0.20 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.33 1fl1 h ARG 160 CO 0.00 0.17 0.44 -0.06 0.56 0.00 0.00 179.97 181.08 1fl1 s PHE 161 N -3.69 3.09 -1.30 3.04 0.08 -0.82 0.08 117.98 118.47 1fl1 s PHE 161 Ca 0.01 -1.19 0.14 0.00 0.12 0.00 0.00 56.93 56.00 1fl1 s PHE 161 Cb 0.10 -4.13 0.66 0.00 -0.57 0.00 0.00 43.02 39.08 1fl1 s PHE 161 CO 0.61 -1.38 1.39 -1.13 -0.10 0.00 0.00 175.22 174.61 1fl1 n SER 162 N 6.31 0.00 -0.04 1.36 3.41 -0.82 -1.28 113.62 122.57 1fl1 n SER 162 Ca 0.07 0.22 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1fl1 n SER 162 Cb 0.46 -0.35 0.36 0.00 -0.26 0.00 0.00 64.21 64.42 1fl1 n SER 162 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fl1 n SER 163 N -1.35 0.46 -4.50 4.04 3.41 -1.26 -4.66 113.62 109.76 1fl1 n SER 163 Ca 0.06 -0.20 -0.40 0.00 -0.26 0.00 0.00 58.87 58.06 1fl1 n SER 163 Cb 0.12 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 1fl1 n SER 163 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1fl1 s VAL 164 N -2.90 5.10 0.97 -3.33 1.01 -0.40 -4.52 120.40 116.33 1fl1 s VAL 164 Ca 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1fl1 s VAL 164 Cb 0.18 -3.64 0.18 0.00 0.00 0.00 0.00 36.38 33.10 1fl1 s VAL 164 CO 0.63 -0.03 1.11 -0.94 0.00 0.00 0.00 175.10 175.88 1fl1 s SER 165 N 1.69 2.49 0.22 3.32 1.04 -1.26 -4.68 113.70 116.52 1fl1 s SER 165 Ca 0.05 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 1fl1 s SER 165 Cb -0.18 -2.49 0.21 0.00 0.10 0.00 0.00 66.02 63.66 1fl1 s SER 165 CO 0.09 -3.34 1.88 0.50 0.98 0.00 0.00 173.24 173.36 1fl1 h LYS 166 N -2.03 1.04 -0.44 4.02 3.64 -1.96 0.18 116.57 121.01 1fl1 h LYS 166 Ca -0.48 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.79 1fl1 h LYS 166 Cb 1.28 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1fl1 h LYS 166 CO 0.45 0.69 0.08 0.77 -2.27 0.00 0.00 179.45 179.16 1fl1 h SER 167 N 1.07 0.70 -0.32 4.20 0.02 -1.99 -0.68 113.55 116.54 1fl1 h SER 167 Ca 0.31 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1fl1 h SER 167 Cb -0.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1fl1 h SER 167 CO -0.08 0.78 0.20 -0.33 -1.14 0.00 0.00 176.83 176.25 1fl1 h GLU 168 N 0.59 0.44 -0.96 3.45 5.08 -1.76 -1.57 114.58 119.85 1fl1 h GLU 168 Ca 0.13 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1fl1 h GLU 168 Cb 0.37 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1fl1 h GLU 168 CO 0.01 0.33 0.63 -0.09 -1.00 0.00 0.00 179.01 178.89 1fl1 h ARG 169 N 0.42 1.23 -0.67 2.33 2.43 -0.45 -0.55 114.38 119.12 1fl1 h ARG 169 Ca 0.12 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1fl1 h ARG 169 Cb 0.00 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 1fl1 h ARG 169 CO -0.02 0.82 0.20 0.00 -1.51 0.00 0.00 179.97 179.45 1fl1 h ALA 170 N 1.41 0.87 -0.16 2.80 0.00 -0.61 0.16 119.26 123.73 1fl1 h ALA 170 Ca 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1fl1 h ALA 170 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1fl1 h ALA 170 CO -0.09 0.56 0.05 1.25 0.00 0.00 0.00 179.25 181.03 1fl1 h HIS 171 N 0.97 0.25 -0.32 0.00 -0.00 -0.59 -1.32 115.15 114.15 1fl1 h HIS 171 Ca 0.21 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1fl1 h HIS 171 Cb 0.31 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1fl1 h HIS 171 CO 0.02 0.35 0.19 0.82 -0.00 0.00 0.00 177.93 179.32 1fl1 h ILE 172 N 0.09 1.05 -0.39 6.26 2.04 -0.96 -1.92 117.51 123.67 1fl1 h ILE 172 Ca 0.05 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1fl1 h ILE 172 Cb 0.21 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1fl1 h ILE 172 CO -0.00 0.07 -0.14 -0.07 0.00 0.00 0.00 178.15 178.01 1fl1 h LEU 173 N 0.40 0.70 -0.83 1.44 3.38 -0.86 0.37 115.31 119.91 1fl1 h LEU 173 Ca 0.12 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1fl1 h LEU 173 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1fl1 h LEU 173 CO -0.05 0.85 0.14 -0.61 0.09 0.00 0.00 178.44 178.86 1fl1 h GLN 174 N 0.64 1.01 -0.21 1.13 -0.00 -1.08 -0.95 115.11 115.66 1fl1 h GLN 174 Ca 0.11 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.65 58.48 1fl1 h GLN 174 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 1fl1 h GLN 174 CO 0.04 0.91 -0.03 1.25 0.00 0.00 0.00 178.83 181.00 1fl1 h HIS 175 N 0.96 0.43 0.62 3.99 2.76 -0.92 -2.71 115.15 120.28 1fl1 h HIS 175 Ca 0.20 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1fl1 h HIS 175 Cb 0.37 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1fl1 h HIS 175 CO 0.03 0.61 -0.45 0.28 -1.30 0.00 0.00 177.93 177.09 1fl1 h VAL 176 N 0.13 0.10 0.00 5.26 2.07 -0.48 -2.25 116.25 121.08 1fl1 h VAL 176 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1fl1 h VAL 176 Cb 0.45 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1fl1 h VAL 176 CO 0.02 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.07 1fl1 n SER 177 N -5.57 0.00 -0.57 0.57 3.41 -0.40 -1.57 113.62 109.50 1fl1 n SER 177 Ca -0.13 0.48 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 1fl1 n SER 177 Cb 0.45 -0.48 0.11 0.00 -0.26 0.00 0.00 64.21 64.03 1fl1 n SER 177 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fl1 n SER 178 N -1.48 1.60 -3.98 4.04 3.41 -0.85 -4.68 113.62 111.68 1fl1 n SER 178 Ca 0.02 -2.08 -0.30 0.00 -0.26 0.00 0.00 58.87 56.24 1fl1 n SER 178 Cb 0.07 -0.26 -0.16 0.00 -0.26 0.00 0.00 64.21 63.60 1fl1 n SER 178 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fl1 s ARG 180 N 1.38 4.20 0.18 0.00 1.81 -1.26 -4.90 118.95 120.36 1fl1 s ARG 180 Ca -0.03 1.62 -0.01 0.00 -1.72 0.00 0.00 55.73 55.58 1fl1 s ARG 180 Cb -0.17 -3.77 0.08 0.00 -0.45 0.00 0.00 34.95 30.63 1fl1 s ARG 180 CO -0.07 -0.74 1.45 -0.07 -0.68 0.00 0.00 175.30 175.19 1fl1 h LEU 181 N 9.82 0.49 -3.06 2.53 3.38 -1.97 -3.28 115.31 123.23 1fl1 h LEU 181 Ca -0.26 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1fl1 h LEU 181 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1fl1 h LEU 181 CO 0.98 1.04 0.00 -0.62 0.09 0.00 0.00 178.44 179.93 1fl1 n GLU 182 N -3.86 0.37 -0.27 1.13 1.02 -1.26 -2.25 120.64 115.51 1fl1 n GLU 182 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1fl1 n GLU 182 Cb 0.69 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1fl1 n GLU 182 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1fl1 n ASP 183 N 1.47 0.00 -4.89 1.62 5.75 -1.23 -5.11 116.55 114.15 1fl1 n ASP 183 Ca 0.00 -1.09 -0.29 0.00 -0.01 0.00 0.00 54.79 53.39 1fl1 n ASP 183 Cb 0.18 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 1fl1 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1fl1 s LEU 184 N 0.00 3.96 0.40 -2.12 1.43 -0.96 -5.04 118.68 116.36 1fl1 s LEU 184 Ca 0.00 0.87 -0.26 0.00 -1.03 0.00 0.00 54.13 53.71 1fl1 s LEU 184 Cb 0.00 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1fl1 s LEU 184 CO 0.00 -0.28 1.25 -0.94 0.23 0.00 0.00 176.35 176.61 1fl1 s SER 185 N -3.20 6.42 0.22 2.29 1.04 -1.26 -4.94 113.70 114.27 1fl1 s SER 185 Ca 0.47 2.53 -0.32 0.00 0.48 0.00 0.00 55.95 59.11 1fl1 s SER 185 Cb -0.11 -2.63 -0.13 0.00 0.10 0.00 0.00 66.02 63.26 1fl1 s SER 185 CO 0.31 -0.76 1.56 0.41 0.98 0.00 0.00 173.24 175.73 1fl1 n THR 186 N 0.15 0.48 -2.54 2.02 -1.04 -1.26 -4.95 114.28 107.14 1fl1 n THR 186 Ca 0.04 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.53 1fl1 n THR 186 Cb 0.45 -1.68 -0.05 0.00 -1.82 0.00 0.00 70.33 67.23 1fl1 n THR 186 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1fl1 s PRO 187 N 0.29 4.64 -0.89 -2.82 0.02 -1.26 -4.97 135.00 130.01 1fl1 s PRO 187 Ca 0.72 1.70 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 1fl1 s PRO 187 Cb -0.60 -3.14 0.05 0.00 0.02 0.00 0.00 34.50 30.83 1fl1 s PRO 187 CO 0.42 0.25 1.32 1.21 -0.33 0.00 0.00 177.00 179.87 1fl1 s ASN 188 N -1.02 6.37 -0.51 2.53 3.04 -1.25 -4.91 114.94 119.19 1fl1 s ASN 188 Ca 0.45 -1.15 -0.00 0.00 0.04 0.00 0.00 52.86 52.20 1fl1 s ASN 188 Cb -0.30 -2.53 0.13 0.00 -1.54 0.00 0.00 41.25 37.01 1fl1 s ASN 188 CO 0.38 -1.56 0.29 0.12 -3.04 0.00 0.00 177.10 173.28 1fl1 s PHE 189 N 4.90 3.45 0.00 0.43 5.36 -1.25 -2.15 117.98 128.72 1fl1 s PHE 189 Ca 0.39 -2.80 0.00 0.00 -0.96 0.00 0.00 56.93 53.56 1fl1 s PHE 189 Cb -0.05 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 1fl1 s PHE 189 CO 0.00 -0.86 0.18 1.33 -1.46 0.00 0.00 175.22 174.41 1fl1 n VAL 190 N 3.75 0.03 -1.68 3.12 0.24 -0.78 -4.92 118.33 118.10 1fl1 n VAL 190 Ca 0.04 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.34 61.80 1fl1 n VAL 190 Cb 0.38 1.65 -0.01 0.00 -1.47 0.00 0.00 33.84 34.39 1fl1 n VAL 190 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1fl1 n SER 191 N -0.02 2.50 -4.74 -1.34 2.88 -0.87 -4.89 113.62 107.14 1fl1 n SER 191 Ca 0.00 1.19 -0.40 0.00 -1.33 0.00 0.00 58.87 58.33 1fl1 n SER 191 Cb 0.24 -1.45 0.02 0.00 -0.75 0.00 0.00 64.21 62.26 1fl1 n SER 191 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1fl1 n PRO 192 N 0.53 2.11 -0.08 -1.46 -0.02 -1.26 -4.86 135.00 129.96 1fl1 n PRO 192 Ca 0.06 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 1fl1 n PRO 192 Cb 0.36 -2.55 0.41 0.00 -0.02 0.00 0.00 33.50 31.70 1fl1 n PRO 192 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fl1 h LEU 193 N 2.16 0.53 -0.52 2.45 5.85 -2.01 -2.56 115.31 121.21 1fl1 h LEU 193 Ca -0.50 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.32 1fl1 h LEU 193 Cb 1.28 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1fl1 h LEU 193 CO 0.60 0.36 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.67 1fl1 h GLU 194 N 0.62 0.05 -0.91 1.25 3.07 -1.99 -0.51 114.58 116.16 1fl1 h GLU 194 Ca 0.23 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.16 1fl1 h GLU 194 Cb 0.14 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.97 1fl1 h GLU 194 CO -0.06 0.04 0.57 1.15 -1.40 0.00 0.00 179.01 179.30 1fl1 h THR 195 N 0.06 1.03 -0.28 1.13 2.02 -1.82 0.36 112.91 115.40 1fl1 h THR 195 Ca 0.26 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 66.91 1fl1 h THR 195 Cb 0.40 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1fl1 h THR 195 CO -0.49 0.19 -0.53 -0.07 0.37 0.00 0.00 175.52 174.99 1fl1 h LEU 196 N 1.01 0.95 -0.83 2.58 3.38 -1.34 -2.96 115.31 118.09 1fl1 h LEU 196 Ca 0.41 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1fl1 h LEU 196 Cb 0.22 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1fl1 h LEU 196 CO -0.19 1.31 0.37 -0.03 0.09 0.00 0.00 178.44 179.98 1fl1 h MET 197 N 0.63 1.22 -0.70 1.13 4.05 -0.46 -1.63 114.93 119.17 1fl1 h MET 197 Ca 0.01 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1fl1 h MET 197 Cb 1.14 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.67 1fl1 h MET 197 CO 0.12 0.96 0.40 0.00 0.23 0.00 0.00 176.91 178.61 1fl1 h ALA 198 N 1.20 0.94 -0.77 0.39 0.00 -0.88 -0.02 119.26 120.12 1fl1 h ALA 198 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1fl1 h ALA 198 Cb 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1fl1 h ALA 198 CO -0.03 0.08 0.40 0.87 0.00 0.00 0.00 179.25 180.57 1fl1 h LYS 199 N 0.72 1.09 -0.57 0.00 1.79 -1.25 -0.86 116.57 117.50 1fl1 h LYS 199 Ca 0.31 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 1fl1 h LYS 199 Cb 0.19 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1fl1 h LYS 199 CO -0.18 0.82 0.06 0.00 -1.08 0.00 0.00 179.45 179.07 1fl1 h ALA 200 N 1.21 1.02 -0.38 3.86 0.00 -0.36 -0.25 119.26 124.37 1fl1 h ALA 200 Ca 0.27 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1fl1 h ALA 200 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fl1 h ALA 200 CO -0.04 0.61 -0.12 0.82 0.00 0.00 0.00 179.25 180.53 1fl1 h ILE 201 N 0.88 1.28 -0.75 0.00 2.04 -0.63 -3.00 117.51 117.33 1fl1 h ILE 201 Ca 0.17 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1fl1 h ILE 201 Cb 0.44 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1fl1 h ILE 201 CO 0.02 0.40 0.38 0.44 0.00 0.00 0.00 178.15 179.39 1fl1 h ASP 202 N 0.54 0.96 -0.97 1.72 3.45 -0.92 -2.47 116.42 118.74 1fl1 h ASP 202 Ca 0.09 -0.12 0.20 0.00 0.43 0.00 0.00 57.03 57.63 1fl1 h ASP 202 Cb 0.64 -0.25 -0.09 0.00 -0.56 0.00 0.00 39.33 39.08 1fl1 h ASP 202 CO 0.04 0.80 0.61 0.00 -1.57 0.00 0.00 179.24 179.13 1fl1 h ALA 203 N 1.19 1.92 -0.04 3.45 0.00 -0.91 0.22 119.26 125.10 1fl1 h ALA 203 Ca 0.26 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1fl1 h ALA 203 Cb 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1fl1 h ALA 203 CO -0.04 -0.25 0.07 0.78 0.00 0.00 0.00 179.25 179.81 1fl1 h GLY 204 N 0.61 0.00 -2.39 0.00 0.00 -1.38 -1.67 103.07 98.24 1fl1 h GLY 204 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1fl1 h GLY 204 CO -0.29 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.94 1fl1 n PHE 205 N -3.54 1.24 -2.64 5.60 3.72 0.78 -4.91 117.46 117.71 1fl1 n PHE 205 Ca -0.02 -0.69 -0.43 0.00 -0.05 0.00 0.00 57.45 56.26 1fl1 n PHE 205 Cb 0.15 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.40 1fl1 n PHE 205 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1fl1 s ILE 206 N -2.14 4.58 0.26 4.37 1.01 -0.63 -4.97 121.20 123.67 1fl1 s ILE 206 Ca 0.44 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.66 1fl1 s ILE 206 Cb 0.31 -4.35 -0.11 0.00 0.01 0.00 0.00 42.46 38.32 1fl1 s ILE 206 CO 0.17 -0.32 1.54 0.00 0.00 0.00 0.00 174.94 176.32 1fl1 s ARG 207 N 3.43 4.19 -1.98 2.79 1.04 -1.26 -2.73 118.95 124.44 1fl1 s ARG 207 Ca 0.45 2.45 0.00 0.00 -1.04 0.00 0.00 55.73 57.59 1fl1 s ARG 207 Cb -0.14 -3.07 0.00 0.00 -2.04 0.00 0.00 34.95 29.70 1fl1 s ARG 207 CO 0.11 -0.55 0.00 -0.25 -0.04 0.00 0.00 175.30 174.57 1fl1 n ASP 208 N 2.49 -5.28 0.16 -2.89 10.43 -1.26 -4.90 116.55 115.31 1fl1 n ASP 208 Ca 0.08 0.46 -0.14 0.00 2.57 0.00 0.00 54.79 57.76 1fl1 n ASP 208 Cb 0.39 -4.42 -0.07 0.00 1.84 0.00 0.00 41.12 38.86 1fl1 n ASP 208 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1fl1 h ARG 209 N 0.00 -0.62 -0.04 -1.24 2.43 -1.90 0.21 114.38 113.23 1fl1 h ARG 209 Ca -0.38 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1fl1 h ARG 209 Cb 1.23 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1fl1 h ARG 209 CO 0.56 -0.41 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.45 1fl1 h LEU 210 N -0.64 0.05 0.01 3.80 3.38 -1.90 0.14 115.31 120.14 1fl1 h LEU 210 Ca 0.01 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1fl1 h LEU 210 Cb 0.62 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.38 1fl1 h LEU 210 CO -0.14 0.14 -1.04 0.44 0.09 0.00 0.00 178.44 177.93 1fl1 h ASP 211 N 0.05 0.89 -0.04 -0.43 3.32 -1.84 -2.75 116.42 115.62 1fl1 h ASP 211 Ca 0.01 -0.75 -0.08 0.00 0.02 0.00 0.00 57.03 56.23 1fl1 h ASP 211 Cb 0.18 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1fl1 h ASP 211 CO 0.01 1.53 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.79 1fl1 h LEU 212 N 0.35 0.42 -0.86 1.55 3.38 -0.10 -2.08 115.31 117.97 1fl1 h LEU 212 Ca -0.13 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1fl1 h LEU 212 Cb 1.70 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1fl1 h LEU 212 CO 0.20 0.63 -0.19 -0.07 0.09 0.00 0.00 178.44 179.11 1fl1 h LEU 213 N 0.39 0.64 -0.19 1.67 3.38 -0.97 0.22 115.31 120.44 1fl1 h LEU 213 Ca 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1fl1 h LEU 213 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1fl1 h LEU 213 CO 0.04 0.83 0.02 0.50 0.09 0.00 0.00 178.44 179.92 1fl1 h LYS 214 N 0.57 0.33 -0.29 1.13 3.64 -1.14 -1.95 116.57 118.86 1fl1 h LYS 214 Ca 0.09 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1fl1 h LYS 214 Cb 0.64 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1fl1 h LYS 214 CO 0.05 0.50 -0.30 1.79 -2.27 0.00 0.00 179.45 179.21 1fl1 h THR 215 N 0.11 1.28 -0.89 1.00 1.35 -1.22 -2.51 112.91 112.03 1fl1 h THR 215 Ca 0.06 -1.40 0.06 0.00 -0.55 0.00 0.00 66.41 64.58 1fl1 h THR 215 Cb 0.34 1.39 -0.06 0.00 -1.73 0.00 0.00 68.15 68.08 1fl1 h THR 215 CO 0.01 0.45 0.58 0.44 -0.25 0.00 0.00 175.52 176.75 1fl1 h ASP 216 N 0.51 0.89 -0.77 5.36 3.45 -0.37 0.30 116.42 125.79 1fl1 h ASP 216 Ca 0.06 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 1fl1 h ASP 216 Cb 0.78 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 1fl1 h ASP 216 CO 0.06 0.57 0.28 -0.09 -1.57 0.00 0.00 179.24 178.49 1fl1 h ARG 217 N 1.01 1.16 -0.34 3.56 2.43 -0.92 -1.35 114.38 119.93 1fl1 h ARG 217 Ca 0.38 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1fl1 h ARG 217 Cb 0.21 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1fl1 h ARG 217 CO -0.14 0.96 -0.21 0.78 -1.51 0.00 0.00 179.97 179.85 1fl1 h GLY 218 N 1.12 0.81 1.55 2.80 0.00 -0.98 -2.30 103.07 106.07 1fl1 h GLY 218 Ca 0.25 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1fl1 h GLY 218 CO -0.02 0.69 0.18 -2.08 0.00 0.00 0.00 176.54 175.32 1fl1 h VAL 219 N 0.53 1.16 -0.00 4.60 2.07 -0.77 -1.26 116.25 122.58 1fl1 h VAL 219 Ca 0.07 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1fl1 h VAL 219 Cb 0.77 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1fl1 h VAL 219 CO 0.06 0.19 -0.16 0.00 0.02 0.00 0.00 177.57 177.68 1fl1 n ALA 220 N -2.47 2.74 -3.39 1.67 0.00 -0.53 -4.95 120.51 113.58 1fl1 n ALA 220 Ca 0.03 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 1fl1 n ALA 220 Cb 0.14 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.32 1fl1 n ALA 220 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fl1 n SER 221 N -1.44 -2.69 -4.72 0.00 7.64 -0.48 -4.40 113.62 107.54 1fl1 n SER 221 Ca 0.07 -0.58 -0.41 0.00 1.01 0.00 0.00 58.87 58.96 1fl1 n SER 221 Cb 0.33 -4.90 -0.04 0.00 -1.01 0.00 0.00 64.21 58.59 1fl1 n SER 221 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1fl1 s ILE 222 N -3.34 4.85 -0.01 0.44 1.01 -1.02 -1.94 121.20 121.19 1fl1 s ILE 222 Ca 0.09 1.91 -0.16 0.00 0.00 0.00 0.00 60.65 62.49 1fl1 s ILE 222 Cb -0.04 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 1fl1 s ILE 222 CO 0.70 0.21 0.43 -0.76 0.00 0.00 0.00 174.94 175.52 1fl1 s LEU 223 N 0.77 4.45 0.54 2.97 1.43 0.11 -4.94 118.68 124.00 1fl1 s LEU 223 Ca 0.47 0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 1fl1 s LEU 223 Cb -0.21 -2.63 -0.07 0.00 0.03 0.00 0.00 46.19 43.32 1fl1 s LEU 223 CO 0.26 0.27 0.98 -0.44 0.23 0.00 0.00 176.35 177.65 1fl1 s SER 224 N -0.82 6.50 0.26 2.29 0.01 -1.26 -4.39 113.70 116.28 1fl1 s SER 224 Ca 0.24 1.48 -0.15 0.00 1.31 0.00 0.00 55.95 58.83 1fl1 s SER 224 Cb -0.17 -2.48 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 1fl1 s SER 224 CO 0.13 -0.65 0.68 -2.16 0.41 0.00 0.00 173.24 171.65 1fl1 s PRO 225 N -4.38 4.03 0.10 12.44 0.04 -1.26 -5.14 135.00 140.83 1fl1 s PRO 225 Ca 0.57 0.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 1fl1 s PRO 225 Cb -0.10 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1fl1 s PRO 225 CO 0.38 0.28 0.11 0.14 0.04 0.00 0.00 177.00 177.95 1fl1 s VAL 226 N -1.78 0.14 -2.13 -0.36 -7.23 -1.26 -5.05 120.40 102.73 1fl1 s VAL 226 Ca 0.48 -1.59 0.18 0.00 -1.81 0.00 0.00 61.98 59.25 1fl1 s VAL 226 Cb -0.13 -1.67 0.45 0.00 0.56 0.00 0.00 36.38 35.59 1fl1 s VAL 226 CO 0.19 -0.63 1.56 -1.22 -0.31 0.00 0.00 175.10 174.69 1fl1 n TYR 227 N -0.05 0.13 -1.47 2.82 4.01 -1.26 -4.90 117.16 116.44 1fl1 n TYR 227 Ca -0.11 -0.06 -0.37 0.00 -0.16 0.00 0.00 57.90 57.20 1fl1 n TYR 227 Cb 0.62 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.72 1fl1 n TYR 227 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1fl1 n LEU 228 N -0.17 2.76 -0.79 7.72 4.32 -1.26 -4.81 117.00 124.77 1fl1 n LEU 228 Ca 0.14 0.72 0.08 0.00 -0.02 0.00 0.00 56.01 56.92 1fl1 n LEU 228 Cb 0.20 -1.33 0.16 0.00 -1.62 0.00 0.00 43.42 40.83 1fl1 n LEU 228 CO 0.11 -2.31 0.62 0.29 -1.22 0.00 0.00 177.39 174.88 1fl1 n LYS 229 N -1.07 2.28 0.00 3.23 4.76 -1.26 -5.10 118.16 120.99 1fl1 n LYS 229 Ca 0.13 -1.99 0.00 0.00 -2.87 0.00 0.00 58.31 53.58 1fl1 n LYS 229 Cb 0.48 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1fl1 n LYS 229 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03