#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy7 s HIS -16 N 0.00 3.51 -0.20 -1.40 5.04 -1.26 -4.31 115.29 116.66 3fy7 s HIS -16 Ca 0.00 1.59 0.01 0.00 -1.54 0.00 0.00 55.06 55.12 3fy7 s HIS -16 Cb 0.00 -3.35 0.05 0.00 0.04 0.00 0.00 32.58 29.32 3fy7 s HIS -16 CO 0.00 -0.82 -0.08 -1.58 -2.34 0.00 0.00 174.74 169.93 3fy7 s HIS -15 N -0.71 2.27 0.07 3.88 5.65 0.19 -4.94 115.29 121.69 3fy7 s HIS -15 Ca 0.48 -1.55 0.02 0.00 0.25 0.00 0.00 55.06 54.25 3fy7 s HIS -15 Cb -0.32 -1.55 -0.04 0.00 -1.18 0.00 0.00 32.58 29.48 3fy7 s HIS -15 CO 0.40 -0.73 0.13 -1.58 -0.65 0.00 0.00 174.74 172.30 3fy7 s HIS -14 N 1.44 3.31 -0.30 3.88 5.04 -1.26 -0.13 115.29 127.27 3fy7 s HIS -14 Ca -0.02 0.15 -0.09 0.00 -1.54 0.00 0.00 55.06 53.55 3fy7 s HIS -14 Cb -0.17 -1.68 0.14 0.00 0.04 0.00 0.00 32.58 30.92 3fy7 s HIS -14 CO -0.07 0.55 0.69 -1.58 -2.34 0.00 0.00 174.74 171.98 3fy7 s HIS -13 N -1.42 -1.30 0.29 3.88 5.65 -0.16 -4.90 115.29 117.32 3fy7 s HIS -13 Ca 0.31 2.09 0.03 0.00 0.25 0.00 0.00 55.06 57.74 3fy7 s HIS -13 Cb -0.12 0.72 -0.01 0.00 -1.18 0.00 0.00 32.58 31.98 3fy7 s HIS -13 CO 0.24 -0.66 0.11 -2.39 -0.65 0.00 0.00 174.74 171.38 3fy7 n HIS -12 N 5.40 0.07 0.10 3.88 -0.00 -1.26 -3.16 115.22 120.24 3fy7 n HIS -12 Ca -0.10 -1.86 0.00 0.00 -0.00 0.00 0.00 57.72 55.76 3fy7 n HIS -12 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 3fy7 n HIS -12 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3fy7 n SER -11 N -1.70 -1.81 0.00 4.39 3.41 -1.26 -5.06 113.62 111.59 3fy7 n SER -11 Ca -0.04 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3fy7 n SER -11 Cb 0.43 1.90 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 3fy7 n SER -11 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fy7 n LYS 5 N -2.95 0.00 -3.40 4.33 5.02 -1.26 -5.11 118.16 114.79 3fy7 n LYS 5 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3fy7 n LYS 5 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3fy7 n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fy7 s LEU 6 N 0.00 4.33 -0.09 -0.35 1.43 -1.26 -4.17 118.68 118.58 3fy7 s LEU 6 Ca 0.00 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 3fy7 s LEU 6 Cb 0.00 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.62 3fy7 s LEU 6 CO 0.00 0.11 -0.03 -1.58 0.23 0.00 0.00 176.35 175.08 3fy7 s GLN 7 N 0.09 1.01 -0.24 1.70 0.74 -0.92 -1.04 119.66 121.00 3fy7 s GLN 7 Ca 0.24 -0.06 -0.08 0.00 0.05 0.00 0.00 55.36 55.51 3fy7 s GLN 7 Cb -0.15 -1.22 -0.04 0.00 1.10 0.00 0.00 33.01 32.71 3fy7 s GLN 7 CO 0.10 -0.27 0.09 -1.17 -0.55 0.00 0.00 175.29 173.50 3fy7 s LEU 8 N 1.77 3.63 -0.19 3.68 2.96 0.12 -1.06 118.68 129.59 3fy7 s LEU 8 Ca 0.04 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 3fy7 s LEU 8 Cb -0.13 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3fy7 s LEU 8 CO -0.06 0.01 0.34 -0.36 -1.32 0.00 0.00 176.35 174.96 3fy7 s PHE 9 N 1.38 3.41 0.24 5.38 0.08 0.32 0.06 117.98 128.85 3fy7 s PHE 9 Ca 0.06 0.58 0.01 0.00 0.12 0.00 0.00 56.93 57.70 3fy7 s PHE 9 Cb -0.15 -2.44 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 3fy7 s PHE 9 CO 0.05 0.10 0.09 0.14 -0.10 0.00 0.00 175.22 175.49 3fy7 s VAL 10 N 0.95 0.53 0.25 -0.44 -7.23 0.31 -2.02 120.40 112.75 3fy7 s VAL 10 Ca 0.17 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 3fy7 s VAL 10 Cb -0.14 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.15 3fy7 s VAL 10 CO 0.06 -0.06 1.14 -0.54 -0.31 0.00 0.00 175.10 175.39 3fy7 s LYS 11 N -4.03 4.58 0.71 4.82 1.02 -1.26 -0.25 119.74 125.34 3fy7 s LYS 11 Ca 0.36 1.85 -0.08 0.00 0.02 0.00 0.00 55.97 58.12 3fy7 s LYS 11 Cb 0.08 -3.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.25 3fy7 s LYS 11 CO 0.12 0.10 1.04 0.00 -0.92 0.00 0.00 175.35 175.69 3fy7 s ALA 12 N -0.83 3.08 0.85 5.17 0.00 -0.50 -0.19 121.76 129.34 3fy7 s ALA 12 Ca 0.47 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 3fy7 s ALA 12 Cb -0.33 -2.67 0.10 0.00 0.00 0.00 0.00 23.12 20.23 3fy7 s ALA 12 CO 0.41 -1.33 1.12 -1.54 0.00 0.00 0.00 175.76 174.42 3fy7 s SER 13 N -4.51 4.02 0.17 0.00 1.04 0.15 -3.51 113.70 111.06 3fy7 s SER 13 Ca 0.60 1.11 -0.18 0.00 0.48 0.00 0.00 55.95 57.96 3fy7 s SER 13 Cb -0.11 -1.75 0.10 0.00 0.10 0.00 0.00 66.02 64.36 3fy7 s SER 13 CO 0.46 -2.25 1.66 -0.33 0.98 0.00 0.00 173.24 173.76 3fy7 h GLU 14 N -1.28 -0.05 0.00 4.02 5.08 -1.93 0.76 114.58 121.18 3fy7 h GLU 14 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3fy7 h GLU 14 Cb 1.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3fy7 h GLU 14 CO 0.61 -0.03 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 3fy7 n ASP 15 N -5.34 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 112.18 3fy7 n ASP 15 Ca 0.02 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 3fy7 n ASP 15 Cb 0.25 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3fy7 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fy7 n GLY 16 N 0.87 0.84 0.17 6.12 0.00 0.26 -4.90 105.19 108.56 3fy7 n GLY 16 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 3fy7 n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fy7 h GLU 17 N 2.47 0.51 0.00 1.61 4.81 -1.90 -3.44 114.58 118.64 3fy7 h GLU 17 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3fy7 h GLU 17 Cb 0.01 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3fy7 h GLU 17 CO 0.00 1.16 0.00 -1.13 -0.73 0.00 0.00 179.01 178.31 3fy7 n SER 18 N -3.79 0.00 -4.73 1.04 3.41 -1.26 -4.99 113.62 103.30 3fy7 n SER 18 Ca -0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 3fy7 n SER 18 Cb 0.83 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 3fy7 n SER 18 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fy7 s VAL 19 N -0.78 3.79 0.49 -3.33 1.01 -1.26 0.32 120.40 120.64 3fy7 s VAL 19 Ca 0.00 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 3fy7 s VAL 19 Cb 0.00 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 3fy7 s VAL 19 CO 0.00 0.17 0.75 -0.83 0.00 0.00 0.00 175.10 175.19 3fy7 s GLY 20 N 0.53 1.57 0.22 4.51 0.00 0.74 -4.20 107.32 110.70 3fy7 s GLY 20 Ca 0.55 -0.91 -0.31 0.00 0.00 0.00 0.00 44.72 44.05 3fy7 s GLY 20 CO 0.33 -0.71 1.67 -1.58 0.00 0.00 0.00 173.10 172.81 3fy7 s HIS 21 N -2.70 2.89 0.00 1.90 5.04 -1.26 -4.81 115.29 116.35 3fy7 s HIS 21 Ca 0.50 0.48 0.00 0.00 -1.54 0.00 0.00 55.06 54.50 3fy7 s HIS 21 Cb -0.10 -4.10 0.00 0.00 0.04 0.00 0.00 32.58 28.42 3fy7 s HIS 21 CO 0.41 -4.04 0.00 0.00 -2.34 0.00 0.00 174.74 168.77 3fy7 h PRO 23 N 0.00 0.00 0.19 0.00 0.13 -1.91 -1.59 132.00 128.82 3fy7 h PRO 23 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 3fy7 h PRO 23 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3fy7 h PRO 23 CO 0.00 0.06 -1.36 0.77 -0.23 0.00 0.00 178.00 177.23 3fy7 h SER 24 N 0.00 0.67 -0.58 1.44 0.02 -1.94 -2.44 113.55 110.71 3fy7 h SER 24 Ca -0.00 -0.71 0.01 0.00 -0.84 0.00 0.00 61.79 60.25 3fy7 h SER 24 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3fy7 h SER 24 CO 0.01 1.55 0.38 0.00 -1.14 0.00 0.00 176.83 177.63 3fy7 h GLN 26 N 0.79 1.00 -0.33 0.00 4.15 -1.35 -1.67 115.11 117.69 3fy7 h GLN 26 Ca 0.21 -0.40 0.07 0.00 0.77 0.00 0.00 58.65 59.31 3fy7 h GLN 26 Cb -0.09 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.48 3fy7 h GLN 26 CO -0.05 1.08 -0.16 -0.09 -1.93 0.00 0.00 178.83 177.68 3fy7 h ARG 27 N 0.87 -0.10 -0.12 1.69 2.43 -1.18 -0.23 114.38 117.74 3fy7 h ARG 27 Ca 0.12 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 3fy7 h ARG 27 Cb 0.74 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3fy7 h ARG 27 CO 0.06 -0.06 -0.72 -0.07 -1.51 0.00 0.00 179.97 177.66 3fy7 h LEU 28 N -0.10 0.67 -0.55 3.80 3.38 -1.38 -1.86 115.31 119.27 3fy7 h LEU 28 Ca 0.17 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.82 3fy7 h LEU 28 Cb 0.36 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 3fy7 h LEU 28 CO -0.40 1.19 0.04 0.15 0.09 0.00 0.00 178.44 179.51 3fy7 h PHE 29 N 0.40 0.04 0.20 1.13 3.04 -0.93 -1.21 116.94 119.60 3fy7 h PHE 29 Ca -0.03 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 3fy7 h PHE 29 Cb 1.31 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.89 3fy7 h PHE 29 CO 0.06 -0.10 -0.09 0.52 -2.02 0.00 0.00 178.31 176.68 3fy7 h MET 30 N 0.16 -0.25 -0.73 1.11 2.86 -0.81 -2.06 114.93 115.20 3fy7 h MET 30 Ca 0.28 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.10 3fy7 h MET 30 Cb 0.43 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.03 3fy7 h MET 30 CO -0.43 -0.09 0.07 0.28 1.06 0.00 0.00 176.91 177.81 3fy7 h VAL 31 N -0.37 0.42 -0.46 -2.22 2.07 -0.97 -0.68 116.25 114.05 3fy7 h VAL 31 Ca -0.03 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3fy7 h VAL 31 Cb 0.29 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3fy7 h VAL 31 CO 0.04 0.03 0.04 -0.07 0.02 0.00 0.00 177.57 177.64 3fy7 h LEU 32 N 0.16 0.75 -0.58 2.57 3.38 -0.96 -1.46 115.31 119.18 3fy7 h LEU 32 Ca 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3fy7 h LEU 32 Cb 0.71 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3fy7 h LEU 32 CO -0.59 0.85 0.32 -0.07 0.09 0.00 0.00 178.44 179.03 3fy7 h LEU 33 N 0.63 0.72 -1.31 1.67 3.38 -0.81 -2.80 115.31 116.80 3fy7 h LEU 33 Ca 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3fy7 h LEU 33 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fy7 h LEU 33 CO 0.02 0.61 -0.23 -0.07 0.09 0.00 0.00 178.44 178.86 3fy7 h LEU 34 N 0.78 0.00 -0.94 1.67 3.38 -0.90 -1.43 115.31 117.87 3fy7 h LEU 34 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3fy7 h LEU 34 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3fy7 h LEU 34 CO -0.03 0.23 -0.42 0.11 0.09 0.00 0.00 178.44 178.42 3fy7 h LYS 35 N 0.00 0.00 -2.47 1.13 1.79 -1.01 -3.45 116.57 112.56 3fy7 h LYS 35 Ca -0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.25 3fy7 h LYS 35 Cb 0.66 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.34 3fy7 h LYS 35 CO 0.03 0.42 -0.31 0.41 -1.08 0.00 0.00 179.45 178.91 3fy7 n GLY 36 N 0.18 0.04 3.87 3.86 0.00 -0.54 -4.45 105.19 108.14 3fy7 n GLY 36 Ca -0.01 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3fy7 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy7 s VAL 37 N -2.84 5.34 0.30 1.61 0.11 -1.24 -5.06 120.40 118.62 3fy7 s VAL 37 Ca 0.14 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 3fy7 s VAL 37 Cb -0.06 -3.43 -0.11 0.00 -1.53 0.00 0.00 36.38 31.25 3fy7 s VAL 37 CO 0.18 0.44 1.50 -2.84 -3.33 0.00 0.00 175.10 171.04 3fy7 s PRO 38 N -1.58 4.19 0.08 1.54 0.02 -1.26 -4.76 135.00 133.23 3fy7 s PRO 38 Ca 0.22 2.45 -0.23 0.00 0.02 0.00 0.00 61.00 63.46 3fy7 s PRO 38 Cb -0.12 -3.04 0.06 0.00 0.02 0.00 0.00 34.50 31.41 3fy7 s PRO 38 CO 0.13 -0.50 0.57 -0.59 -0.33 0.00 0.00 177.00 176.27 3fy7 s PHE 39 N -0.34 -0.49 -0.14 6.54 -0.12 -1.26 -4.51 117.98 117.67 3fy7 s PHE 39 Ca 0.58 0.47 -0.03 0.00 -0.05 0.00 0.00 56.93 57.90 3fy7 s PHE 39 Cb -0.45 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3fy7 s PHE 39 CO 0.50 -0.72 -0.04 0.99 -0.05 0.00 0.00 175.22 175.89 3fy7 s THR 40 N -2.88 3.88 -0.13 -4.49 2.01 -0.21 0.56 115.64 114.38 3fy7 s THR 40 Ca -0.03 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 3fy7 s THR 40 Cb -0.00 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 3fy7 s THR 40 CO -0.05 0.51 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.08 3fy7 s LEU 41 N 0.17 2.98 -0.08 4.42 0.20 0.81 0.14 118.68 127.33 3fy7 s LEU 41 Ca -0.02 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.62 3fy7 s LEU 41 Cb -0.14 -1.69 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 3fy7 s LEU 41 CO 0.03 0.20 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.26 3fy7 s THR 42 N 0.17 1.30 0.32 3.68 2.01 0.11 -0.99 115.64 122.25 3fy7 s THR 42 Ca -0.05 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 3fy7 s THR 42 Cb -0.14 -1.19 -0.07 0.00 0.01 0.00 0.00 72.50 71.11 3fy7 s THR 42 CO 0.04 0.40 0.67 0.42 -0.69 0.00 0.00 174.62 175.45 3fy7 s THR 43 N 0.77 4.83 -0.03 -0.82 -4.23 -1.19 -0.53 115.64 114.45 3fy7 s THR 43 Ca -0.12 0.57 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 3fy7 s THR 43 Cb -0.16 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.03 3fy7 s THR 43 CO 0.02 -0.29 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.07 3fy7 s VAL 44 N -2.08 0.52 -0.03 2.29 1.01 0.66 -4.79 120.40 117.97 3fy7 s VAL 44 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3fy7 s VAL 44 Cb -0.11 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.81 3fy7 s VAL 44 CO 0.25 0.19 1.23 0.47 0.00 0.00 0.00 175.10 177.24 3fy7 n ASP 45 N 3.62 3.50 0.00 3.32 8.00 -1.26 -1.41 116.55 132.31 3fy7 n ASP 45 Ca -0.21 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.11 3fy7 n ASP 45 Cb 0.53 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3fy7 n ASP 45 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3fy7 n SER 60 N 0.56 0.00 0.00 -2.24 7.64 -1.26 -4.95 113.62 113.37 3fy7 n SER 60 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3fy7 n SER 60 Cb 0.57 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3fy7 n SER 60 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3fy7 n GLN 61 N -0.33 0.00 -2.23 1.43 7.27 -1.26 -5.15 117.38 117.12 3fy7 n GLN 61 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 3fy7 n GLN 61 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 3fy7 n GLN 61 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3fy7 s LEU 62 N 0.00 4.01 0.62 1.69 1.43 -1.26 -4.44 118.68 120.73 3fy7 s LEU 62 Ca 0.00 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.29 3fy7 s LEU 62 Cb 0.00 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 3fy7 s LEU 62 CO 0.00 -0.94 1.05 -2.16 0.23 0.00 0.00 176.35 174.53 3fy7 s PRO 63 N -2.69 3.22 0.03 1.29 0.04 -1.26 -4.85 135.00 130.79 3fy7 s PRO 63 Ca 0.64 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.82 3fy7 s PRO 63 Cb -0.29 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 3fy7 s PRO 63 CO 0.36 -0.88 -0.09 0.42 0.04 0.00 0.00 177.00 176.84 3fy7 s ILE 64 N -2.65 0.68 -0.04 0.56 1.01 -0.86 -4.62 121.20 115.28 3fy7 s ILE 64 Ca 0.62 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.42 3fy7 s ILE 64 Cb -0.15 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 3fy7 s ILE 64 CO 0.42 -0.18 -0.17 -0.22 0.00 0.00 0.00 174.94 174.80 3fy7 s LEU 65 N -1.18 1.93 -0.23 2.97 2.96 -0.67 -0.52 118.68 123.94 3fy7 s LEU 65 Ca -0.04 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3fy7 s LEU 65 Cb -0.08 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 3fy7 s LEU 65 CO 0.01 0.16 0.06 -0.76 -1.32 0.00 0.00 176.35 174.50 3fy7 s LEU 66 N -0.01 3.52 -0.16 -0.68 1.43 -0.23 -1.53 118.68 121.03 3fy7 s LEU 66 Ca -0.03 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3fy7 s LEU 66 Cb -0.11 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3fy7 s LEU 66 CO 0.02 0.03 -0.18 -0.47 0.23 0.00 0.00 176.35 175.97 3fy7 s TYR 67 N 1.25 2.54 0.00 0.29 5.04 0.51 -2.16 117.35 124.82 3fy7 s TYR 67 Ca 0.05 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.25 3fy7 s TYR 67 Cb -0.15 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.39 3fy7 s TYR 67 CO 0.03 -0.71 0.00 -0.25 -1.34 0.00 0.00 175.55 173.28 3fy7 n ASP 68 N 4.53 0.00 0.00 4.32 10.43 -1.26 -1.07 116.55 133.50 3fy7 n ASP 68 Ca -0.20 0.00 0.13 0.00 2.57 0.00 0.00 54.79 57.29 3fy7 n ASP 68 Cb 0.50 0.00 0.37 0.00 1.84 0.00 0.00 41.12 43.84 3fy7 n ASP 68 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3fy7 n SER 69 N 3.14 0.35 -4.78 -2.24 3.41 -1.26 -4.96 113.62 107.28 3fy7 n SER 69 Ca 0.00 0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 3fy7 n SER 69 Cb 0.00 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 3fy7 n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fy7 s ASP 70 N -3.08 7.17 0.37 4.04 3.68 -0.23 -5.03 116.67 123.58 3fy7 s ASP 70 Ca 0.12 1.89 0.08 0.00 2.13 0.00 0.00 52.55 56.77 3fy7 s ASP 70 Cb 0.18 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 39.03 3fy7 s ASP 70 CO 0.64 -0.19 0.20 0.00 0.13 0.00 0.00 175.17 175.95 3fy7 s ALA 71 N -1.65 3.64 -0.18 3.66 0.00 -1.26 -0.36 121.76 125.61 3fy7 s ALA 71 Ca 0.53 -1.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 3fy7 s ALA 71 Cb -0.19 -0.72 0.06 0.00 0.00 0.00 0.00 23.12 22.26 3fy7 s ALA 71 CO 0.25 -0.06 0.43 0.15 0.00 0.00 0.00 175.76 176.53 3fy7 s LYS 72 N -3.92 0.43 0.00 0.00 -0.14 -0.58 -4.93 119.74 110.60 3fy7 s LYS 72 Ca 0.40 0.79 0.01 0.00 -1.36 0.00 0.00 55.97 55.81 3fy7 s LYS 72 Cb -0.01 0.03 -0.00 0.00 -1.68 0.00 0.00 37.83 36.16 3fy7 s LYS 72 CO 0.24 -0.14 0.19 0.25 -0.76 0.00 0.00 175.35 175.13 3fy7 n THR 73 N 4.05 0.00 -3.85 2.17 -2.24 -1.26 -1.67 114.28 111.48 3fy7 n THR 73 Ca -0.22 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 3fy7 n THR 73 Cb 0.56 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 3fy7 n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fy7 s ASP 74 N -0.70 5.16 0.20 3.42 1.01 -1.26 -4.63 116.67 119.86 3fy7 s ASP 74 Ca 0.00 -0.16 -0.17 0.00 0.71 0.00 0.00 52.55 52.93 3fy7 s ASP 74 Cb 0.00 -1.91 0.20 0.00 1.01 0.00 0.00 42.92 42.22 3fy7 s ASP 74 CO 0.02 0.01 1.60 0.74 0.21 0.00 0.00 175.17 177.75 3fy7 h THR 75 N 5.42 0.25 -0.53 -1.27 2.02 -1.93 0.12 112.91 117.00 3fy7 h THR 75 Ca -0.37 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3fy7 h THR 75 Cb 1.18 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3fy7 h THR 75 CO 0.60 0.00 0.25 0.25 0.37 0.00 0.00 175.52 176.99 3fy7 h LEU 76 N -0.08 0.70 -0.79 2.58 5.85 -2.00 -1.77 115.31 119.80 3fy7 h LEU 76 Ca 0.28 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3fy7 h LEU 76 Cb 0.52 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3fy7 h LEU 76 CO -0.68 0.64 0.51 -0.61 -0.34 0.00 0.00 178.44 177.95 3fy7 h GLN 77 N 0.72 1.05 -0.61 1.25 4.15 -1.71 -1.86 115.11 118.10 3fy7 h GLN 77 Ca 0.18 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 3fy7 h GLN 77 Cb 0.12 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3fy7 h GLN 77 CO -0.02 0.71 0.22 0.82 -1.93 0.00 0.00 178.83 178.64 3fy7 h ILE 78 N 1.08 1.24 0.17 2.39 2.04 -0.42 -2.28 117.51 121.71 3fy7 h ILE 78 Ca 0.29 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3fy7 h ILE 78 Cb -0.09 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3fy7 h ILE 78 CO -0.06 0.30 -0.08 -0.08 0.00 0.00 0.00 178.15 178.23 3fy7 h GLU 79 N 0.86 -0.22 -0.67 2.37 4.81 -1.07 -1.47 114.58 119.20 3fy7 h GLU 79 Ca 0.20 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3fy7 h GLU 79 Cb 0.24 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 3fy7 h GLU 79 CO -0.01 -0.03 0.37 -0.44 -0.73 0.00 0.00 179.01 178.17 3fy7 h ASP 80 N -0.36 0.55 -0.20 1.04 3.32 -1.31 -0.92 116.42 118.53 3fy7 h ASP 80 Ca -0.02 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3fy7 h ASP 80 Cb 0.29 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 3fy7 h ASP 80 CO 0.04 0.35 -0.16 0.15 -1.72 0.00 0.00 179.24 177.90 3fy7 h PHE 81 N 0.68 -0.41 -0.13 4.55 3.57 -1.24 0.08 116.94 124.03 3fy7 h PHE 81 Ca 0.30 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3fy7 h PHE 81 Cb 0.19 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3fy7 h PHE 81 CO -0.08 -0.23 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.57 3fy7 h LEU 82 N -0.17 0.19 -0.33 0.59 3.38 -0.52 0.29 115.31 118.75 3fy7 h LEU 82 Ca 0.12 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 3fy7 h LEU 82 Cb 0.35 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fy7 h LEU 82 CO -0.30 0.34 -0.74 -0.08 0.09 0.00 0.00 178.44 177.75 3fy7 h GLU 83 N 0.20 0.53 0.01 1.13 4.57 -0.74 -2.76 114.58 117.52 3fy7 h GLU 83 Ca 0.04 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3fy7 h GLU 83 Cb 0.35 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3fy7 h GLU 83 CO 0.02 1.06 -0.00 1.49 -1.18 0.00 0.00 179.01 180.40 3fy7 h GLU 84 N 0.37 -0.01 -0.35 1.92 4.81 -0.41 -3.37 114.58 117.54 3fy7 h GLU 84 Ca -0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3fy7 h GLU 84 Cb 1.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 3fy7 h GLU 84 CO 0.14 0.82 -0.05 1.15 -0.73 0.00 0.00 179.01 180.33 3fy7 h THR 85 N -0.95 1.22 -3.44 0.32 2.02 -0.55 -3.37 112.91 108.17 3fy7 h THR 85 Ca -0.00 -0.93 -0.72 0.00 0.77 0.00 0.00 66.41 65.53 3fy7 h THR 85 Cb 0.83 1.02 -0.31 0.00 -1.74 0.00 0.00 68.15 67.95 3fy7 h THR 85 CO 0.00 0.31 -0.37 -0.76 0.37 0.00 0.00 175.52 175.08 3fy7 s LEU 86 N -8.99 5.61 0.00 2.58 1.43 -1.04 -5.06 118.68 113.21 3fy7 s LEU 86 Ca -0.08 -2.23 0.07 0.00 -1.03 0.00 0.00 54.13 50.87 3fy7 s LEU 86 Cb 0.15 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3fy7 s LEU 86 CO 0.78 -0.58 0.27 0.61 0.23 0.00 0.00 176.35 177.66 3fy7 n GLY 87 N 4.43 2.94 3.60 -3.19 0.00 -1.26 -4.71 105.19 107.01 3fy7 n GLY 87 Ca -0.01 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 3fy7 n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fy7 n PRO 88 N -0.67 1.04 0.12 1.61 -0.02 -0.29 -1.40 135.00 135.39 3fy7 n PRO 88 Ca 0.06 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3fy7 n PRO 88 Cb 0.61 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 32.11 3fy7 n PRO 88 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3fy7 h PRO 89 N 0.85 0.00 -0.91 0.52 0.13 -2.03 -3.44 132.00 127.12 3fy7 h PRO 89 Ca -0.47 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 3fy7 h PRO 89 Cb 1.36 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.41 3fy7 h PRO 89 CO 0.53 0.00 0.54 -0.44 -0.23 0.00 0.00 178.00 178.39 3fy7 h ASP 90 N 0.00 0.77 -4.65 1.44 5.19 -1.94 -3.44 116.42 113.79 3fy7 h ASP 90 Ca 0.00 0.05 -0.29 0.00 -0.62 0.00 0.00 57.03 56.17 3fy7 h ASP 90 Cb 0.92 -0.10 -0.22 0.00 0.18 0.00 0.00 39.33 40.11 3fy7 h ASP 90 CO 0.00 0.42 -0.74 -0.36 -3.12 0.00 0.00 179.24 175.44 3fy7 s PHE 91 N -5.99 0.69 0.33 4.55 0.40 -0.50 -4.98 117.98 112.47 3fy7 s PHE 91 Ca -0.12 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.48 3fy7 s PHE 91 Cb 0.21 -0.41 -0.10 0.00 0.51 0.00 0.00 43.02 43.23 3fy7 s PHE 91 CO 0.79 -0.07 1.18 -1.25 0.70 0.00 0.00 175.22 176.58 3fy7 s PRO 92 N -1.42 4.41 0.23 0.24 0.04 -1.26 -1.13 135.00 136.10 3fy7 s PRO 92 Ca -0.08 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3fy7 s PRO 92 Cb -0.09 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 3fy7 s PRO 92 CO 0.00 -0.04 1.09 0.45 0.04 0.00 0.00 177.00 178.55 3fy7 s SER 93 N -0.83 7.29 0.00 6.66 0.15 -1.26 -4.78 113.70 120.92 3fy7 s SER 93 Ca 0.49 2.17 0.10 0.00 0.70 0.00 0.00 55.95 59.41 3fy7 s SER 93 Cb -0.34 -2.62 0.22 0.00 -1.71 0.00 0.00 66.02 61.57 3fy7 s SER 93 CO 0.44 -0.16 1.11 0.18 1.20 0.00 0.00 173.24 176.01 3fy7 n LEU 94 N 1.75 2.54 -4.73 3.45 4.77 -1.26 -5.00 117.00 118.53 3fy7 n LEU 94 Ca 0.01 -1.71 -0.42 0.00 -0.03 0.00 0.00 56.01 53.85 3fy7 n LEU 94 Cb 0.45 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3fy7 n LEU 94 CO 0.54 0.61 1.24 0.00 -1.33 0.00 0.00 177.39 178.44 3fy7 s ALA 95 N -0.95 3.78 0.77 -1.18 0.00 -1.26 -0.98 121.76 121.94 3fy7 s ALA 95 Ca 0.18 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 3fy7 s ALA 95 Cb 0.10 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3fy7 s ALA 95 CO 0.14 -0.84 1.02 -2.30 0.00 0.00 0.00 175.76 173.77 3fy7 n PRO 96 N 3.35 0.31 0.11 0.00 -0.02 -1.26 -4.89 135.00 132.61 3fy7 n PRO 96 Ca 0.12 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 3fy7 n PRO 96 Cb 0.38 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3fy7 n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy7 h ARG 97 N -0.62 0.31 -5.31 -0.52 3.08 -1.93 -3.46 114.38 105.93 3fy7 h ARG 97 Ca -0.47 -0.53 -0.66 0.00 0.07 0.00 0.00 59.98 58.40 3fy7 h ARG 97 Cb 1.32 0.20 -0.27 0.00 0.08 0.00 0.00 29.97 31.29 3fy7 h ARG 97 CO 0.45 1.25 -0.76 0.71 -1.07 0.00 0.00 179.97 180.55 3fy7 s TYR 98 N -2.65 2.81 0.25 3.04 1.51 -1.26 -5.01 117.35 116.04 3fy7 s TYR 98 Ca -0.05 -0.66 -0.07 0.00 -1.01 0.00 0.00 57.07 55.28 3fy7 s TYR 98 Cb 0.07 -1.85 0.41 0.00 -0.11 0.00 0.00 41.96 40.48 3fy7 s TYR 98 CO 0.89 -0.22 1.39 -2.13 -1.11 0.00 0.00 175.55 174.37 3fy7 n ARG 99 N 3.56 -0.08 0.28 -0.62 0.63 -1.26 -1.20 116.66 117.97 3fy7 n ARG 99 Ca -0.18 1.39 0.15 0.00 -0.92 0.00 0.00 57.85 58.29 3fy7 n ARG 99 Cb 0.53 -2.07 0.78 0.00 0.45 0.00 0.00 32.46 32.14 3fy7 n ARG 99 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3fy7 h GLU 100 N 0.00 0.00 -0.06 -0.14 4.81 -2.00 0.30 114.58 117.49 3fy7 h GLU 100 Ca 0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3fy7 h GLU 100 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 3fy7 h GLU 100 CO -0.92 0.08 0.02 0.77 -0.73 0.00 0.00 179.01 178.23 3fy7 h SER 101 N 0.00 0.07 1.53 1.04 0.02 -1.48 -1.31 113.55 113.42 3fy7 h SER 101 Ca -0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3fy7 h SER 101 Cb 0.36 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3fy7 h SER 101 CO 0.01 0.07 -0.20 0.78 -1.14 0.00 0.00 176.83 176.35 3fy7 h ASN 102 N 0.08 0.00 0.00 3.07 4.21 -1.04 -3.37 115.58 118.53 3fy7 h ASN 102 Ca 0.02 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.31 3fy7 h ASN 102 Cb 0.03 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.19 3fy7 h ASN 102 CO -0.00 0.20 -1.82 0.35 -1.29 0.00 0.00 177.43 174.86 3fy7 n THR 103 N -3.19 0.81 -1.68 2.81 -2.24 -0.86 -4.85 114.28 105.08 3fy7 n THR 103 Ca 0.02 -0.51 -0.47 0.00 -2.27 0.00 0.00 64.05 60.83 3fy7 n THR 103 Cb 0.55 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3fy7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy7 n ALA 104 N -2.44 1.20 -0.89 6.98 0.00 -0.55 -0.86 120.51 123.95 3fy7 n ALA 104 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3fy7 n ALA 104 Cb 0.88 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3fy7 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fy7 n GLY 105 N 3.89 0.75 0.35 0.00 0.00 -1.26 -4.91 105.19 104.02 3fy7 n GLY 105 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.39 3fy7 n GLY 105 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fy7 h ASN 106 N 0.00 0.00 -0.07 1.61 4.21 -1.33 -2.42 115.58 117.58 3fy7 h ASN 106 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3fy7 h ASN 106 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3fy7 h ASN 106 CO 0.00 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.24 3fy7 n ASP 107 N -4.24 2.74 -0.00 5.81 5.75 -1.26 -4.47 116.55 120.87 3fy7 n ASP 107 Ca 0.05 -1.90 -0.12 0.00 -0.01 0.00 0.00 54.79 52.82 3fy7 n ASP 107 Cb 0.45 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 3fy7 n ASP 107 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3fy7 h VAL 108 N 4.18 1.14 -0.37 2.12 2.07 -1.77 -2.06 116.25 121.56 3fy7 h VAL 108 Ca 0.00 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3fy7 h VAL 108 Cb 0.89 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3fy7 h VAL 108 CO 0.00 0.12 0.10 0.15 0.02 0.00 0.00 177.57 177.96 3fy7 h PHE 109 N -0.06 0.62 0.00 1.57 3.57 -1.78 -0.41 116.94 120.45 3fy7 h PHE 109 Ca 0.02 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 3fy7 h PHE 109 Cb 0.17 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3fy7 h PHE 109 CO -0.02 0.60 -0.32 1.12 -2.23 0.00 0.00 178.31 177.46 3fy7 h HIS 110 N 0.45 0.00 -0.02 0.41 2.07 -1.82 -1.00 115.15 115.24 3fy7 h HIS 110 Ca 0.12 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.43 3fy7 h HIS 110 Cb 0.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.27 3fy7 h HIS 110 CO 0.01 0.32 -0.87 0.87 -3.07 0.00 0.00 177.93 175.20 3fy7 h LYS 111 N 0.00 0.38 -0.27 5.12 1.79 -1.19 -2.78 116.57 119.63 3fy7 h LYS 111 Ca -0.00 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.08 3fy7 h LYS 111 Cb 0.81 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 3fy7 h LYS 111 CO 0.04 1.05 0.14 0.35 -1.08 0.00 0.00 179.45 179.95 3fy7 h PHE 112 N 0.23 0.37 -0.86 -1.35 3.57 -0.76 -1.83 116.94 116.31 3fy7 h PHE 112 Ca -0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.44 3fy7 h PHE 112 Cb 1.49 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 3fy7 h PHE 112 CO 0.05 0.31 0.57 0.77 -2.23 0.00 0.00 178.31 177.78 3fy7 h SER 113 N 0.31 0.98 0.12 0.41 0.02 -1.23 0.27 113.55 114.42 3fy7 h SER 113 Ca 0.09 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 3fy7 h SER 113 Cb 0.07 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3fy7 h SER 113 CO -0.01 0.71 -0.44 0.00 -1.14 0.00 0.00 176.83 175.94 3fy7 h ALA 114 N 1.32 0.94 -0.05 3.77 0.00 -1.46 -2.42 119.26 121.36 3fy7 h ALA 114 Ca 0.32 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3fy7 h ALA 114 Cb -0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3fy7 h ALA 114 CO -0.07 0.64 -0.00 0.35 0.00 0.00 0.00 179.25 180.16 3fy7 h PHE 115 N 0.33 0.09 0.00 0.00 3.57 -0.46 -2.91 116.94 117.56 3fy7 h PHE 115 Ca 0.02 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3fy7 h PHE 115 Cb 0.91 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3fy7 h PHE 115 CO 0.03 0.37 -0.20 0.97 -2.23 0.00 0.00 178.31 177.25 3fy7 h ILE 116 N -0.21 0.43 -0.00 1.41 6.09 -0.46 -3.01 117.51 121.75 3fy7 h ILE 116 Ca 0.01 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.30 3fy7 h ILE 116 Cb 0.34 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.52 3fy7 h ILE 116 CO 0.00 0.20 -0.82 0.29 -3.07 0.00 0.00 178.15 174.75 3fy7 n LYS 117 N -3.26 0.31 -1.69 2.19 4.76 -0.92 -4.99 118.16 114.57 3fy7 n LYS 117 Ca 0.01 -0.25 -0.43 0.00 -2.87 0.00 0.00 58.31 54.77 3fy7 n LYS 117 Cb 0.48 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 3fy7 n LYS 117 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3fy7 n ASN 118 N -1.12 4.02 -1.16 4.39 5.15 -1.10 -4.90 115.26 120.54 3fy7 n ASN 118 Ca 0.06 0.98 0.12 0.00 -0.60 0.00 0.00 54.58 55.13 3fy7 n ASN 118 Cb 0.36 -1.53 0.21 0.00 -0.53 0.00 0.00 39.78 38.29 3fy7 n ASN 118 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fy7 n PRO 119 N 5.91 2.51 -3.40 1.20 -0.04 -1.26 -4.88 135.00 135.04 3fy7 n PRO 119 Ca 0.18 -2.29 -0.44 0.00 -0.04 0.00 0.00 63.50 60.91 3fy7 n PRO 119 Cb 0.37 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 3fy7 n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fy7 s VAL 120 N -1.48 5.22 0.22 0.52 1.01 -1.26 -4.97 120.40 119.67 3fy7 s VAL 120 Ca 0.39 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3fy7 s VAL 120 Cb 0.23 -4.10 0.26 0.00 0.00 0.00 0.00 36.38 32.77 3fy7 s VAL 120 CO 0.32 -0.55 1.60 -0.65 0.00 0.00 0.00 175.10 175.81 3fy7 h PRO 121 N 8.74 -0.04 0.00 2.72 0.11 -2.02 -0.85 132.00 140.66 3fy7 h PRO 121 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fy7 h PRO 121 Cb 1.11 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fy7 h PRO 121 CO 0.86 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 3fy7 n ALA 122 N -3.25 1.70 0.71 -0.75 0.00 -1.26 -1.60 120.51 116.06 3fy7 n ALA 122 Ca 0.09 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.56 3fy7 n ALA 122 Cb 0.38 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.68 3fy7 n ALA 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fy7 n GLN 123 N -1.26 1.54 0.19 0.00 1.13 -0.33 -4.77 117.38 113.88 3fy7 n GLN 123 Ca 0.05 -1.11 -0.09 0.00 -1.94 0.00 0.00 57.00 53.91 3fy7 n GLN 123 Cb 0.08 -1.30 -0.05 0.00 0.11 0.00 0.00 30.24 29.09 3fy7 n GLN 123 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 3fy7 h ASP 124 N 2.45 -0.59 -0.49 1.08 3.58 -1.27 -0.28 116.42 120.90 3fy7 h ASP 124 Ca 0.00 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.54 3fy7 h ASP 124 Cb 0.61 0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.79 3fy7 h ASP 124 CO 0.00 -0.35 0.21 -0.33 -2.88 0.00 0.00 179.24 175.90 3fy7 h GLU 125 N -0.55 0.41 -0.34 0.28 4.39 -1.87 -0.58 114.58 116.32 3fy7 h GLU 125 Ca -0.05 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.69 3fy7 h GLU 125 Cb 0.45 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.92 3fy7 h GLU 125 CO 0.04 0.27 -0.42 0.00 -1.16 0.00 0.00 179.01 177.73 3fy7 h ALA 126 N 1.29 -0.47 -0.31 3.43 0.00 -1.82 0.27 119.26 121.66 3fy7 h ALA 126 Ca 0.22 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3fy7 h ALA 126 Cb 0.19 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3fy7 h ALA 126 CO -0.19 -0.88 -0.11 -0.07 0.00 0.00 0.00 179.25 178.00 3fy7 h LEU 127 N -0.37 0.51 -0.64 0.00 3.38 -0.61 -1.72 115.31 115.86 3fy7 h LEU 127 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3fy7 h LEU 127 Cb 0.59 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3fy7 h LEU 127 CO -0.53 0.66 0.32 0.22 0.09 0.00 0.00 178.44 179.21 3fy7 h TYR 128 N 0.49 0.91 -0.97 1.13 3.20 -0.24 -1.98 116.97 119.51 3fy7 h TYR 128 Ca 0.09 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fy7 h TYR 128 Cb 0.49 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3fy7 h TYR 128 CO 0.02 0.67 0.62 1.96 -1.64 0.00 0.00 178.16 179.79 3fy7 h GLN 129 N 0.88 1.28 -0.79 1.82 1.08 0.18 0.66 115.11 120.23 3fy7 h GLN 129 Ca 0.22 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3fy7 h GLN 129 Cb 0.09 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 3fy7 h GLN 129 CO -0.03 0.87 0.36 1.96 -0.95 0.00 0.00 178.83 181.04 3fy7 h GLN 130 N 1.32 1.14 0.02 1.46 4.20 -1.09 -0.53 115.11 121.63 3fy7 h GLN 130 Ca 0.35 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3fy7 h GLN 130 Cb -0.12 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.46 3fy7 h GLN 130 CO -0.07 0.89 -0.01 1.25 -0.67 0.00 0.00 178.83 180.22 3fy7 h LEU 131 N 1.13 -0.03 -1.36 1.46 5.85 -0.50 -2.60 115.31 119.27 3fy7 h LEU 131 Ca 0.27 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3fy7 h LEU 131 Cb 0.14 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3fy7 h LEU 131 CO -0.03 0.02 0.42 -0.07 -0.34 0.00 0.00 178.44 178.44 3fy7 h LEU 132 N -0.07 0.74 -0.45 2.25 3.38 -0.56 -1.43 115.31 119.17 3fy7 h LEU 132 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3fy7 h LEU 132 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3fy7 h LEU 132 CO 0.00 0.54 -0.33 -0.09 0.09 0.00 0.00 178.44 178.66 3fy7 h ARG 133 N 0.88 0.94 -0.67 1.13 9.65 -0.92 0.42 114.38 125.81 3fy7 h ARG 133 Ca 0.24 -0.46 -0.04 0.00 -1.10 0.00 0.00 59.98 58.61 3fy7 h ARG 133 Cb -0.10 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 3fy7 h ARG 133 CO -0.05 1.12 0.25 0.00 2.80 0.00 0.00 179.97 184.09 3fy7 h ALA 134 N 0.83 0.87 -0.45 2.80 0.00 -1.13 -1.79 119.26 120.39 3fy7 h ALA 134 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3fy7 h ALA 134 Cb 0.91 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3fy7 h ALA 134 CO 0.08 0.51 0.07 -0.07 0.00 0.00 0.00 179.25 179.84 3fy7 h LEU 135 N 0.95 0.66 -0.56 0.00 3.38 -1.04 -2.20 115.31 116.51 3fy7 h LEU 135 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fy7 h LEU 135 Cb 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3fy7 h LEU 135 CO -0.01 0.68 0.36 0.00 0.09 0.00 0.00 178.44 179.55 3fy7 h ALA 136 N 1.40 0.71 -0.59 1.53 0.00 -0.57 0.10 119.26 121.84 3fy7 h ALA 136 Ca 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3fy7 h ALA 136 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3fy7 h ALA 136 CO 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 3fy7 h ARG 137 N 0.75 1.06 -0.20 0.00 3.08 -1.06 -1.62 114.38 116.39 3fy7 h ARG 137 Ca 0.20 -0.35 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3fy7 h ARG 137 Cb -0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3fy7 h ARG 137 CO -0.04 1.05 0.01 1.25 -1.07 0.00 0.00 179.97 181.17 3fy7 h LEU 138 N 0.95 -0.06 -0.90 3.04 5.85 -1.25 -2.36 115.31 120.60 3fy7 h LEU 138 Ca 0.16 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.11 3fy7 h LEU 138 Cb 0.59 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 3fy7 h LEU 138 CO 0.04 -0.00 0.45 -0.78 -0.34 0.00 0.00 178.44 177.81 3fy7 h ASP 139 N 0.08 0.50 -0.16 1.25 3.58 -0.57 -2.20 116.42 118.90 3fy7 h ASP 139 Ca 0.09 0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.51 3fy7 h ASP 139 Cb 0.11 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 3fy7 h ASP 139 CO -0.15 0.14 -0.44 0.28 -2.88 0.00 0.00 179.24 176.19 3fy7 h SER 140 N 0.56 0.76 -0.39 2.28 0.02 -0.77 -1.96 113.55 114.05 3fy7 h SER 140 Ca 0.53 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3fy7 h SER 140 Cb 0.87 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3fy7 h SER 140 CO -0.43 1.09 0.12 0.22 -1.14 0.00 0.00 176.83 176.69 3fy7 h TYR 141 N 0.57 0.63 0.00 3.45 3.20 -1.23 -1.92 116.97 121.67 3fy7 h TYR 141 Ca 0.04 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3fy7 h TYR 141 Cb 0.99 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 3fy7 h TYR 141 CO 0.05 0.59 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.01 3fy7 h LEU 142 N 0.48 0.00 -0.36 2.82 3.38 -1.15 -2.28 115.31 118.19 3fy7 h LEU 142 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fy7 h LEU 142 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3fy7 h LEU 142 CO -0.00 0.08 -0.60 0.54 0.09 0.00 0.00 178.44 178.56 3fy7 n ARG 143 N -3.62 0.49 -3.24 1.13 1.74 -0.76 -4.64 116.66 107.76 3fy7 n ARG 143 Ca -0.02 -0.36 -0.39 0.00 -0.77 0.00 0.00 57.85 56.31 3fy7 n ARG 143 Cb 0.20 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 3fy7 n ARG 143 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fy7 s ALA 144 N -2.76 3.52 0.18 7.54 0.00 -0.74 -0.66 121.76 128.83 3fy7 s ALA 144 Ca 0.15 -0.31 -0.33 0.00 0.00 0.00 0.00 51.96 51.47 3fy7 s ALA 144 Cb 0.18 -2.80 -0.13 0.00 0.00 0.00 0.00 23.12 20.37 3fy7 s ALA 144 CO 0.68 -0.34 1.65 -2.30 0.00 0.00 0.00 175.76 175.46 3fy7 n PRO 145 N 4.51 2.46 -1.93 0.00 -0.02 -1.26 -4.62 135.00 134.13 3fy7 n PRO 145 Ca -0.05 0.89 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 3fy7 n PRO 145 Cb 0.51 -2.69 0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3fy7 n PRO 145 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fy7 s LEU 146 N 1.07 2.57 0.08 2.45 1.43 -1.26 -4.88 118.68 120.14 3fy7 s LEU 146 Ca 0.77 0.65 -0.28 0.00 -1.03 0.00 0.00 54.13 54.24 3fy7 s LEU 146 Cb -0.59 -3.05 -0.13 0.00 0.03 0.00 0.00 46.19 42.45 3fy7 s LEU 146 CO 0.35 -2.06 1.45 -0.08 0.23 0.00 0.00 176.35 176.24 3fy7 h GLU 147 N -1.15 -0.65 -0.26 1.70 4.81 -1.98 -1.52 114.58 115.52 3fy7 h GLU 147 Ca -0.45 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.89 3fy7 h GLU 147 Cb 1.31 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 3fy7 h GLU 147 CO 0.60 -0.44 0.27 1.12 -0.73 0.00 0.00 179.01 179.83 3fy7 h HIS 148 N -0.68 0.00 -0.39 0.92 2.07 -1.99 0.14 115.15 115.23 3fy7 h HIS 148 Ca -0.02 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.37 3fy7 h HIS 148 Cb 0.64 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 3fy7 h HIS 148 CO -0.35 0.00 -0.28 0.93 -3.07 0.00 0.00 177.93 175.15 3fy7 h GLU 149 N 0.00 0.83 0.16 5.12 5.08 -1.66 -3.20 114.58 120.91 3fy7 h GLU 149 Ca 0.12 -0.37 -0.30 0.00 -1.00 0.00 0.00 59.36 57.82 3fy7 h GLU 149 Cb 0.67 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.92 3fy7 h GLU 149 CO -0.00 1.00 -1.31 -0.07 -1.00 0.00 0.00 179.01 177.64 3fy7 h LEU 150 N 0.71 0.63 -1.64 1.33 3.38 -0.33 -2.34 115.31 117.04 3fy7 h LEU 150 Ca 0.08 -0.65 0.37 0.00 0.09 0.00 0.00 57.88 57.78 3fy7 h LEU 150 Cb 0.82 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 3fy7 h LEU 150 CO 0.07 1.50 0.86 0.00 0.09 0.00 0.00 178.44 180.95 3fy7 h ALA 151 N 0.42 2.82 0.02 1.53 0.00 -0.92 -1.79 119.26 121.33 3fy7 h ALA 151 Ca -0.18 0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 3fy7 h ALA 151 Cb 2.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.85 3fy7 h ALA 151 CO 0.23 -1.29 -2.27 0.41 0.00 0.00 0.00 179.25 176.33 3fy7 n GLY 152 N -1.63 -0.68 2.72 0.00 0.00 -1.20 -4.84 105.19 99.56 3fy7 n GLY 152 Ca 0.31 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3fy7 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fy7 s GLU 153 N -2.53 1.21 0.54 1.61 2.12 -0.68 -5.01 118.70 115.97 3fy7 s GLU 153 Ca -0.21 -1.86 0.30 0.00 0.36 0.00 0.00 54.97 53.56 3fy7 s GLU 153 Cb 0.08 -2.31 1.56 0.00 0.26 0.00 0.00 34.13 33.71 3fy7 s GLU 153 CO 0.73 -1.13 2.10 -1.35 -0.54 0.00 0.00 175.26 175.07 3fy7 h PRO 154 N 6.96 0.00 -0.28 4.30 0.11 -1.82 -2.62 132.00 138.65 3fy7 h PRO 154 Ca -0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3fy7 h PRO 154 Cb 0.94 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.00 3fy7 h PRO 154 CO 0.48 0.09 -0.06 1.04 -0.21 0.00 0.00 178.00 179.34 3fy7 n GLN 155 N -3.49 2.14 -2.13 1.05 6.02 -1.26 -5.02 117.38 114.69 3fy7 n GLN 155 Ca -0.02 -3.02 -0.42 0.00 -0.01 0.00 0.00 57.00 53.54 3fy7 n GLN 155 Cb 0.23 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 3fy7 n GLN 155 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fy7 s LEU 156 N -3.07 4.38 -0.22 1.08 2.96 -0.99 -4.93 118.68 117.89 3fy7 s LEU 156 Ca 0.42 2.43 0.06 0.00 -0.22 0.00 0.00 54.13 56.82 3fy7 s LEU 156 Cb 0.37 -3.60 -0.18 0.00 0.50 0.00 0.00 46.19 43.28 3fy7 s LEU 156 CO 0.03 -0.65 -0.13 0.54 -1.32 0.00 0.00 176.35 174.82 3fy7 n ARG 157 N 3.40 0.70 -4.44 1.98 1.74 -1.26 -4.89 116.66 113.89 3fy7 n ARG 157 Ca 0.10 0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.97 3fy7 n ARG 157 Cb 0.42 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 30.21 3fy7 n ARG 157 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3fy7 s GLU 158 N -2.47 2.61 0.38 5.56 2.56 -1.26 -4.65 118.70 121.42 3fy7 s GLU 158 Ca -0.26 -0.70 -0.26 0.00 0.00 0.00 0.00 54.97 53.76 3fy7 s GLU 158 Cb 0.08 -2.19 -0.11 0.00 2.00 0.00 0.00 34.13 33.90 3fy7 s GLU 158 CO 0.62 -0.08 1.14 0.45 -0.56 0.00 0.00 175.26 176.83 3fy7 n SER 159 N 4.28 1.95 -0.41 -1.70 2.88 0.16 -4.83 113.62 115.94 3fy7 n SER 159 Ca -0.19 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.58 3fy7 n SER 159 Cb 0.51 -1.41 0.10 0.00 -0.75 0.00 0.00 64.21 62.66 3fy7 n SER 159 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fy7 n ARG 160 N 0.31 1.07 -1.56 -1.46 1.74 -1.26 -4.91 116.66 110.59 3fy7 n ARG 160 Ca 0.08 -0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 56.02 3fy7 n ARG 160 Cb 0.37 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.39 3fy7 n ARG 160 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3fy7 s ARG 161 N -2.50 2.66 -0.11 5.56 1.70 -1.26 -5.00 118.95 119.99 3fy7 s ARG 161 Ca 0.20 0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 56.26 3fy7 s ARG 161 Cb 0.18 -1.97 -0.26 0.00 -0.57 0.00 0.00 34.95 32.34 3fy7 s ARG 161 CO 0.57 -1.27 0.40 0.54 -1.08 0.00 0.00 175.30 174.46 3fy7 n ARG 162 N -3.23 0.75 -2.13 3.89 1.74 -1.24 -5.00 116.66 111.44 3fy7 n ARG 162 Ca 0.07 0.27 -0.02 0.00 -0.77 0.00 0.00 57.85 57.40 3fy7 n ARG 162 Cb 0.54 -1.72 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3fy7 n ARG 162 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3fy7 n PHE 163 N -3.45 -0.00 0.10 -1.55 3.72 -0.06 -4.52 117.46 111.70 3fy7 n PHE 163 Ca -0.30 -0.14 -0.12 0.00 -0.05 0.00 0.00 57.45 56.83 3fy7 n PHE 163 Cb 1.05 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.51 3fy7 n PHE 163 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3fy7 h LEU 164 N 0.00 -0.40 -1.73 4.37 3.38 -1.95 -3.28 115.31 115.70 3fy7 h LEU 164 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fy7 h LEU 164 Cb 0.07 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fy7 h LEU 164 CO 0.04 -0.22 0.00 -0.67 0.09 0.00 0.00 178.44 177.68 3fy7 n ASP 165 N -5.27 2.52 0.00 -0.43 -0.08 -1.26 -4.84 116.55 107.19 3fy7 n ASP 165 Ca -0.07 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.46 3fy7 n ASP 165 Cb 0.19 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.64 3fy7 n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fy7 n GLY 166 N 1.01 0.05 0.84 0.27 0.00 -1.24 -4.83 105.19 101.30 3fy7 n GLY 166 Ca 0.11 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 45.03 3fy7 n GLY 166 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fy7 n ASP 167 N 0.00 2.51 -4.36 1.61 8.00 -1.26 -0.88 116.55 122.17 3fy7 n ASP 167 Ca 0.00 -1.86 -0.31 0.00 0.71 0.00 0.00 54.79 53.32 3fy7 n ASP 167 Cb 0.00 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 3fy7 n ASP 167 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fy7 s ARG 168 N -1.63 2.22 0.32 -1.24 0.52 -1.26 -4.86 118.95 113.02 3fy7 s ARG 168 Ca 0.35 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 3fy7 s ARG 168 Cb 0.19 -2.13 -0.12 0.00 0.52 0.00 0.00 34.95 33.41 3fy7 s ARG 168 CO 0.28 0.58 1.51 1.28 0.02 0.00 0.00 175.30 178.96 3fy7 n LEU 169 N 2.39 4.31 -4.69 2.53 4.77 -1.26 -4.75 117.00 120.30 3fy7 n LEU 169 Ca -0.16 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.69 3fy7 n LEU 169 Cb 0.51 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 3fy7 n LEU 169 CO 0.24 0.02 -0.22 0.42 -1.33 0.00 0.00 177.39 176.52 3fy7 s THR 170 N -0.53 0.82 0.35 -5.08 -4.23 -1.26 -4.99 115.64 100.71 3fy7 s THR 170 Ca 0.59 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.17 3fy7 s THR 170 Cb -0.51 -2.11 0.30 0.00 1.34 0.00 0.00 72.50 71.52 3fy7 s THR 170 CO 0.56 0.00 1.91 -0.07 -0.54 0.00 0.00 174.62 176.48 3fy7 h LEU 171 N 1.44 0.71 -0.41 4.79 3.38 -1.40 -2.24 115.31 121.58 3fy7 h LEU 171 Ca -0.40 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3fy7 h LEU 171 Cb 1.31 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3fy7 h LEU 171 CO 0.66 0.42 0.25 0.00 0.09 0.00 0.00 178.44 179.85 3fy7 h ALA 172 N 1.58 0.52 -0.50 1.53 0.00 -1.89 -2.44 119.26 118.06 3fy7 h ALA 172 Ca 0.38 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3fy7 h ALA 172 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fy7 h ALA 172 CO -0.15 -0.08 0.08 -0.44 0.00 0.00 0.00 179.25 178.66 3fy7 h ASP 173 N 0.50 0.73 -0.18 0.00 3.32 -1.80 -2.12 116.42 116.87 3fy7 h ASP 173 Ca 0.16 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3fy7 h ASP 173 Cb -0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3fy7 h ASP 173 CO -0.07 0.75 0.07 0.00 -1.72 0.00 0.00 179.24 178.27 3fy7 h SER 175 N 0.35 0.49 0.13 0.00 0.87 -1.14 -3.36 113.55 110.88 3fy7 h SER 175 Ca 0.09 -0.94 -0.26 0.00 -1.23 0.00 0.00 61.79 59.44 3fy7 h SER 175 Cb 0.12 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3fy7 h SER 175 CO -0.01 1.39 -1.31 0.25 -0.53 0.00 0.00 176.83 176.63 3fy7 h LEU 176 N -0.33 0.43 -0.49 2.23 5.85 -1.11 -3.36 115.31 118.53 3fy7 h LEU 176 Ca -0.14 -0.88 0.08 0.00 0.84 0.00 0.00 57.88 57.78 3fy7 h LEU 176 Cb 1.64 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.46 3fy7 h LEU 176 CO 0.16 1.58 0.09 -0.07 -0.34 0.00 0.00 178.44 179.86 3fy7 h LEU 177 N -0.28 -0.01 -1.08 2.25 3.38 -1.04 0.18 115.31 118.71 3fy7 h LEU 177 Ca -0.27 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3fy7 h LEU 177 Cb 1.77 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.59 3fy7 h LEU 177 CO 0.09 0.02 0.62 -0.65 0.09 0.00 0.00 178.44 178.62 3fy7 h PRO 178 N 0.23 1.11 -0.15 1.13 0.11 -1.76 -0.56 132.00 132.11 3fy7 h PRO 178 Ca 0.25 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 3fy7 h PRO 178 Cb 0.33 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 3fy7 h PRO 178 CO -0.33 0.73 -0.04 0.87 -0.21 0.00 0.00 178.00 179.03 3fy7 h LYS 179 N 1.14 0.29 -0.08 1.05 1.57 -1.37 -3.04 116.57 116.13 3fy7 h LYS 179 Ca 0.40 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 3fy7 h LYS 179 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3fy7 h LYS 179 CO -0.14 0.58 -0.21 1.25 -0.57 0.00 0.00 179.45 180.36 3fy7 h LEU 180 N -0.01 0.13 -0.55 2.94 5.85 -0.40 -2.19 115.31 121.08 3fy7 h LEU 180 Ca 0.04 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3fy7 h LEU 180 Cb 0.47 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3fy7 h LEU 180 CO 0.02 0.35 0.20 -0.74 -0.34 0.00 0.00 178.44 177.93 3fy7 h HIS 181 N 0.12 0.85 -0.09 1.25 2.76 -1.12 -2.07 115.15 116.85 3fy7 h HIS 181 Ca 0.02 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3fy7 h HIS 181 Cb 0.44 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 3fy7 h HIS 181 CO 0.00 0.70 0.05 0.82 -1.30 0.00 0.00 177.93 178.21 3fy7 h ILE 182 N 0.75 1.06 -0.00 6.26 2.04 -1.35 0.36 117.51 126.63 3fy7 h ILE 182 Ca 0.18 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3fy7 h ILE 182 Cb 0.22 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3fy7 h ILE 182 CO -0.01 0.06 -0.35 0.58 0.00 0.00 0.00 178.15 178.43 3fy7 h VAL 183 N 0.07 0.26 -0.32 1.67 2.07 -1.32 0.28 116.25 118.97 3fy7 h VAL 183 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3fy7 h VAL 183 Cb 0.05 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3fy7 h VAL 183 CO -0.01 0.00 0.14 -0.78 0.02 0.00 0.00 177.57 176.94 3fy7 h ASP 184 N -0.50 0.18 0.19 0.57 3.58 -1.35 -0.58 116.42 118.51 3fy7 h ASP 184 Ca 0.06 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 3fy7 h ASP 184 Cb 0.59 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3fy7 h ASP 184 CO -0.28 0.14 -0.09 0.74 -2.88 0.00 0.00 179.24 176.87 3fy7 h THR 185 N 0.29 0.85 -0.26 2.25 2.02 -0.19 -1.77 112.91 116.10 3fy7 h THR 185 Ca 0.14 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3fy7 h THR 185 Cb 0.08 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3fy7 h THR 185 CO -0.12 0.04 -0.10 0.58 0.37 0.00 0.00 175.52 176.29 3fy7 h VAL 186 N -0.33 1.29 -0.40 3.16 2.07 -0.44 -1.79 116.25 119.80 3fy7 h VAL 186 Ca -0.03 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 3fy7 h VAL 186 Cb 0.26 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3fy7 h VAL 186 CO 0.04 0.36 0.06 0.00 0.02 0.00 0.00 177.57 178.06 3fy7 h ALA 188 N 0.92 -0.32 -0.08 0.00 0.00 -1.33 0.13 119.26 118.59 3fy7 h ALA 188 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3fy7 h ALA 188 Cb 0.38 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3fy7 h ALA 188 CO 0.01 -0.74 -0.75 1.25 0.00 0.00 0.00 179.25 179.02 3fy7 h HIS 189 N -0.37 0.91 0.13 0.00 2.76 -1.15 -2.53 115.15 114.89 3fy7 h HIS 189 Ca 0.06 -0.44 -0.35 0.00 -2.20 0.00 0.00 60.37 57.44 3fy7 h HIS 189 Cb 0.45 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3fy7 h HIS 189 CO -0.26 1.26 -1.85 0.74 -1.30 0.00 0.00 177.93 176.52 3fy7 h PHE 190 N 0.30 0.50 -0.15 5.26 0.04 -0.95 -3.38 116.94 118.57 3fy7 h PHE 190 Ca -0.07 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3fy7 h PHE 190 Cb 1.40 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.53 3fy7 h PHE 190 CO 0.11 1.63 0.00 0.54 -0.60 0.00 0.00 178.31 179.99 3fy7 n ARG 191 N -3.47 2.94 -4.10 1.51 5.12 -0.56 -4.98 116.66 113.12 3fy7 n ARG 191 Ca -0.27 -1.73 -0.31 0.00 -1.93 0.00 0.00 57.85 53.61 3fy7 n ARG 191 Cb 1.06 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 31.22 3fy7 n ARG 191 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3fy7 n GLN 192 N -0.06 -3.32 -3.32 5.56 3.00 -0.79 -4.90 117.38 113.56 3fy7 n GLN 192 Ca 0.05 0.39 -0.26 0.00 -0.01 0.00 0.00 57.00 57.17 3fy7 n GLN 192 Cb 0.33 -4.86 -0.07 0.00 0.00 0.00 0.00 30.24 25.64 3fy7 n GLN 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3fy7 n ALA 193 N -4.42 3.75 -1.16 -1.58 0.00 0.36 -4.91 120.51 112.56 3fy7 n ALA 193 Ca -0.09 -4.46 -0.32 0.00 0.00 0.00 0.00 53.44 48.58 3fy7 n ALA 193 Cb 0.58 -0.87 0.11 0.00 0.00 0.00 0.00 19.45 19.27 3fy7 n ALA 193 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fy7 s PRO 194 N -2.33 1.99 -0.12 0.00 0.04 -1.26 -3.50 135.00 129.82 3fy7 s PRO 194 Ca 0.40 1.38 -0.38 0.00 0.04 0.00 0.00 61.00 62.44 3fy7 s PRO 194 Cb 0.17 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.71 3fy7 s PRO 194 CO -0.05 -1.88 1.64 -0.89 0.04 0.00 0.00 177.00 175.87 3fy7 n ILE 195 N -3.45 0.24 -1.70 0.56 2.08 -1.26 -4.83 119.36 111.00 3fy7 n ILE 195 Ca 0.11 -0.04 -0.43 0.00 0.56 0.00 0.00 62.75 62.94 3fy7 n ILE 195 Cb 0.52 -1.22 -0.01 0.00 -0.75 0.00 0.00 39.64 38.18 3fy7 n ILE 195 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3fy7 n PRO 196 N 4.62 2.22 0.33 0.38 -0.02 -1.26 -4.84 135.00 136.42 3fy7 n PRO 196 Ca 0.23 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.70 3fy7 n PRO 196 Cb 0.18 -2.43 1.13 0.00 -0.02 0.00 0.00 33.50 32.35 3fy7 n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy7 h ALA 197 N 3.49 1.16 -0.40 3.55 0.00 -2.03 -1.66 119.26 123.37 3fy7 h ALA 197 Ca -0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3fy7 h ALA 197 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3fy7 h ALA 197 CO 0.70 0.00 0.10 0.93 0.00 0.00 0.00 179.25 180.98 3fy7 h GLU 198 N 0.00 0.59 -4.93 0.00 3.07 -2.01 -3.28 114.58 108.03 3fy7 h GLU 198 Ca -0.00 -0.10 -0.63 0.00 -0.50 0.00 0.00 59.36 58.13 3fy7 h GLU 198 Cb 0.01 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.78 3fy7 h GLU 198 CO 0.00 0.54 2.36 1.28 -1.40 0.00 0.00 179.01 181.79 3fy7 n LEU 199 N -4.33 5.14 -0.33 1.33 4.77 -0.63 -4.76 117.00 118.19 3fy7 n LEU 199 Ca 0.02 -3.69 -0.01 0.00 -0.03 0.00 0.00 56.01 52.30 3fy7 n LEU 199 Cb 0.19 -1.60 0.15 0.00 -2.33 0.00 0.00 43.42 39.83 3fy7 n LEU 199 CO 0.38 0.06 1.28 0.03 -1.33 0.00 0.00 177.39 177.82 3fy7 h ARG 200 N 7.44 1.23 -0.25 3.23 -0.00 -1.83 -1.02 114.38 123.18 3fy7 h ARG 200 Ca 0.45 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.98 59.78 3fy7 h ARG 200 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 29.97 30.46 3fy7 h ARG 200 CO 1.66 0.81 -0.13 0.78 0.00 0.00 0.00 179.97 183.09 3fy7 h GLY 201 N 1.26 0.57 0.95 0.04 0.00 -1.85 -0.41 103.07 103.63 3fy7 h GLY 201 Ca 0.34 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3fy7 h GLY 201 CO -0.07 0.48 0.21 -2.08 0.00 0.00 0.00 176.54 175.07 3fy7 h VAL 202 N 0.25 1.06 -0.54 4.60 2.07 -1.81 -1.63 116.25 120.25 3fy7 h VAL 202 Ca 0.05 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3fy7 h VAL 202 Cb 0.65 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3fy7 h VAL 202 CO 0.04 0.08 0.33 0.03 0.02 0.00 0.00 177.57 178.07 3fy7 h ARG 203 N 0.43 0.73 -0.61 1.57 2.47 -1.06 -2.09 114.38 115.83 3fy7 h ARG 203 Ca 0.13 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 3fy7 h ARG 203 Cb -0.02 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 3fy7 h ARG 203 CO -0.05 0.53 0.10 -0.09 0.56 0.00 0.00 179.97 181.02 3fy7 h ARG 204 N 0.73 0.98 0.10 0.04 2.43 -1.02 -2.42 114.38 115.21 3fy7 h ARG 204 Ca 0.19 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3fy7 h ARG 204 Cb -0.02 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3fy7 h ARG 204 CO -0.04 0.90 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.34 3fy7 h TYR 205 N 0.92 -0.16 -0.61 2.20 3.20 -0.92 0.22 116.97 121.83 3fy7 h TYR 205 Ca 0.19 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3fy7 h TYR 205 Cb 0.40 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3fy7 h TYR 205 CO 0.03 -0.10 0.37 -0.07 -1.64 0.00 0.00 178.16 176.75 3fy7 h LEU 206 N -0.15 0.60 -0.23 2.82 3.38 -1.33 -1.72 115.31 118.67 3fy7 h LEU 206 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fy7 h LEU 206 Cb 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fy7 h LEU 206 CO 0.01 0.41 0.06 0.44 0.09 0.00 0.00 178.44 179.45 3fy7 h ASP 207 N 0.72 0.35 -0.85 -0.43 3.32 -1.16 -2.14 116.42 116.24 3fy7 h ASP 207 Ca 0.25 -0.23 0.10 0.00 0.02 0.00 0.00 57.03 57.17 3fy7 h ASP 207 Cb 0.04 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 3fy7 h ASP 207 CO -0.11 0.49 0.55 0.28 -1.72 0.00 0.00 179.24 178.73 3fy7 h SER 208 N 0.19 0.73 -0.42 6.45 0.02 -0.52 -2.43 113.55 117.57 3fy7 h SER 208 Ca 0.07 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 3fy7 h SER 208 Cb 0.28 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3fy7 h SER 208 CO 0.00 0.43 -0.10 0.00 -1.14 0.00 0.00 176.83 176.02 3fy7 h ALA 209 N 1.58 0.92 0.00 3.77 0.00 -0.91 -2.45 119.26 122.16 3fy7 h ALA 209 Ca 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3fy7 h ALA 209 Cb 0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fy7 h ALA 209 CO -0.16 0.63 -0.15 1.98 0.00 0.00 0.00 179.25 181.55 3fy7 h MET 210 N 0.79 0.00 -0.00 0.00 -1.53 -0.90 -1.40 114.93 111.89 3fy7 h MET 210 Ca 0.13 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.39 3fy7 h MET 210 Cb 0.61 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.66 3fy7 h MET 210 CO 0.04 0.15 -0.07 1.04 0.14 0.00 0.00 176.91 178.21 3fy7 n GLN 211 N -3.74 0.72 -3.46 0.39 1.13 -0.93 -4.55 117.38 106.94 3fy7 n GLN 211 Ca -0.02 -0.20 -0.39 0.00 -1.94 0.00 0.00 57.00 54.45 3fy7 n GLN 211 Cb 0.26 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.01 3fy7 n GLN 211 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fy7 s GLU 212 N -2.41 3.85 0.29 -1.09 0.41 -0.53 -4.98 118.70 114.25 3fy7 s GLU 212 Ca 0.32 -0.22 0.04 0.00 -0.41 0.00 0.00 54.97 54.69 3fy7 s GLU 212 Cb 0.20 -3.70 0.75 0.00 -1.78 0.00 0.00 34.13 29.60 3fy7 s GLU 212 CO 0.45 -0.32 1.68 0.87 -0.49 0.00 0.00 175.26 177.46 3fy7 h LYS 213 N 8.33 0.35 0.00 1.61 1.57 -1.85 -0.24 116.57 126.33 3fy7 h LYS 213 Ca -0.32 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 3fy7 h LYS 213 Cb 1.17 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3fy7 h LYS 213 CO 0.63 0.23 -0.30 0.93 -0.57 0.00 0.00 179.45 180.37 3fy7 h GLU 214 N 0.36 0.00 0.10 3.15 3.07 -1.93 -1.37 114.58 117.95 3fy7 h GLU 214 Ca 0.57 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.17 3fy7 h GLU 214 Cb 1.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3fy7 h GLU 214 CO -0.56 0.30 -1.32 0.35 -1.40 0.00 0.00 179.01 176.38 3fy7 h PHE 215 N 0.00 0.40 -0.67 4.33 3.57 -1.43 -3.33 116.94 119.81 3fy7 h PHE 215 Ca -0.00 -0.29 0.03 0.00 3.53 0.00 0.00 57.97 61.24 3fy7 h PHE 215 Cb 0.56 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3fy7 h PHE 215 CO 0.00 1.52 0.41 -0.22 -2.23 0.00 0.00 178.31 177.79 3fy7 h LYS 216 N -0.38 0.77 -0.13 1.11 3.64 -0.96 -2.76 116.57 117.86 3fy7 h LYS 216 Ca -0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3fy7 h LYS 216 Cb 1.69 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 3fy7 h LYS 216 CO 0.04 0.51 0.00 0.66 -2.27 0.00 0.00 179.45 178.39 3fy7 n TYR 217 N -4.70 0.16 0.64 1.91 4.01 -0.53 -3.12 117.16 115.54 3fy7 n TYR 217 Ca 0.07 -0.08 0.07 0.00 -0.16 0.00 0.00 57.90 57.80 3fy7 n TYR 217 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3fy7 n TYR 217 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3fy7 n THR 218 N 0.44 0.00 -2.24 -0.72 -2.24 -1.07 -4.99 114.28 103.47 3fy7 n THR 218 Ca 0.17 -0.34 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3fy7 n THR 218 Cb 0.38 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 3fy7 n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy7 s PRO 220 N -0.01 3.27 0.46 0.00 0.04 -1.26 -4.98 135.00 132.53 3fy7 s PRO 220 Ca 0.57 1.24 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 3fy7 s PRO 220 Cb -0.36 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 3fy7 s PRO 220 CO 0.37 -0.85 0.95 0.72 0.04 0.00 0.00 177.00 178.23 3fy7 n HIS 221 N -2.02 0.92 -0.25 0.56 8.25 -1.26 -4.85 115.22 116.56 3fy7 n HIS 221 Ca 0.09 0.53 0.07 0.00 -0.26 0.00 0.00 57.72 58.15 3fy7 n HIS 221 Cb 0.53 -2.18 0.32 0.00 1.12 0.00 0.00 29.99 29.77 3fy7 n HIS 221 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3fy7 h SER 222 N 1.24 0.75 -0.90 0.41 0.87 -2.00 -1.11 113.55 112.80 3fy7 h SER 222 Ca -0.45 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.26 3fy7 h SER 222 Cb 1.35 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 63.10 3fy7 h SER 222 CO 0.55 0.45 0.58 0.00 -0.53 0.00 0.00 176.83 177.88 3fy7 h ALA 223 N 1.57 1.78 -0.22 6.23 0.00 -1.99 -0.97 119.26 125.66 3fy7 h ALA 223 Ca 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3fy7 h ALA 223 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fy7 h ALA 223 CO -0.16 -0.02 0.05 0.93 0.00 0.00 0.00 179.25 180.06 3fy7 h GLU 224 N 0.74 0.35 -0.38 0.00 4.39 -1.54 -0.62 114.58 117.52 3fy7 h GLU 224 Ca 0.45 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 3fy7 h GLU 224 Cb 0.67 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3fy7 h GLU 224 CO -0.21 0.47 0.20 0.82 -1.16 0.00 0.00 179.01 179.12 3fy7 h ILE 225 N 0.17 1.16 -0.64 3.13 2.04 -1.37 -2.43 117.51 119.57 3fy7 h ILE 225 Ca 0.07 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3fy7 h ILE 225 Cb 0.27 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3fy7 h ILE 225 CO 0.00 0.16 0.39 -0.07 0.00 0.00 0.00 178.15 178.63 3fy7 h LEU 226 N 0.48 0.63 -1.38 1.44 3.38 -1.10 -2.36 115.31 116.40 3fy7 h LEU 226 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3fy7 h LEU 226 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fy7 h LEU 226 CO -0.02 0.43 0.18 0.00 0.09 0.00 0.00 178.44 179.12 3fy7 h ALA 227 N 1.29 1.51 0.00 1.53 0.00 -0.89 -1.43 119.26 121.27 3fy7 h ALA 227 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fy7 h ALA 227 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fy7 h ALA 227 CO -0.12 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 3fy7 h ALA 228 N 1.60 1.62 -0.09 0.00 0.00 -0.93 -1.89 119.26 119.56 3fy7 h ALA 228 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fy7 h ALA 228 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fy7 h ALA 228 CO -0.02 0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.94 3fy7 n TYR 229 N -4.03 0.10 0.00 0.00 4.02 -0.67 -5.13 117.16 111.45 3fy7 n TYR 229 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3fy7 n TYR 229 Cb 0.13 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3fy7 n TYR 229 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39