#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6b n SER 14 N 0.00 0.00 0.02 -3.46 3.41 -1.26 -2.72 113.62 109.61 1f6b n SER 14 Ca 0.00 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1f6b n SER 14 Cb 0.00 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1f6b n SER 14 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1f6b h VAL 15 N 0.00 1.10 -0.81 -3.33 2.07 -1.99 -2.26 116.25 111.02 1f6b h VAL 15 Ca 0.00 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1f6b h VAL 15 Cb 0.10 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1f6b h VAL 15 CO 0.00 0.08 0.47 -0.07 0.02 0.00 0.00 177.57 178.06 1f6b h LEU 16 N -0.11 0.99 -0.65 2.57 4.07 -1.89 -2.18 115.31 118.12 1f6b h LEU 16 Ca 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1f6b h LEU 16 Cb 0.12 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1f6b h LEU 16 CO -0.00 0.78 0.24 1.56 -1.08 0.00 0.00 178.44 179.94 1f6b h GLN 17 N 1.13 0.98 -0.21 1.13 4.20 -1.68 0.63 115.11 121.29 1f6b h GLN 17 Ca 0.29 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1f6b h GLN 17 Cb -0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1f6b h GLN 17 CO -0.05 0.84 0.03 0.35 -0.67 0.00 0.00 178.83 179.32 1f6b h PHE 18 N 0.92 0.30 -0.01 2.96 3.57 -0.96 -2.01 116.94 121.70 1f6b h PHE 18 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1f6b h PHE 18 Cb 0.24 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1f6b h PHE 18 CO 0.02 0.29 -0.27 1.28 -2.23 0.00 0.00 178.31 177.40 1f6b n LEU 19 N -4.39 0.99 -0.25 0.59 4.77 -0.86 -4.77 117.00 113.08 1f6b n LEU 19 Ca 0.00 -0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 55.70 1f6b n LEU 19 Cb 0.17 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1f6b n LEU 19 CO 0.36 0.19 -0.03 0.61 -1.33 0.00 0.00 177.39 177.19 1f6b n GLY 20 N 1.35 0.64 0.65 -0.72 0.00 -0.37 -2.89 105.19 103.84 1f6b n GLY 20 Ca 0.12 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.36 1f6b n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f6b n LEU 21 N -0.37 2.95 -4.74 0.99 4.77 0.07 -4.81 117.00 115.86 1f6b n LEU 21 Ca -0.03 -2.03 -0.42 0.00 -0.03 0.00 0.00 56.01 53.51 1f6b n LEU 21 Cb 0.12 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1f6b n LEU 21 CO 0.05 0.73 1.22 -0.47 -1.33 0.00 0.00 177.39 177.59 1f6b s TYR 22 N -1.05 2.85 -0.38 -1.77 5.04 -1.09 -1.57 117.35 119.38 1f6b s TYR 22 Ca 0.24 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1f6b s TYR 22 Cb 0.13 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1f6b s TYR 22 CO 0.16 -3.44 0.00 1.63 -1.34 0.00 0.00 175.55 172.55 1f6b n LYS 23 N 2.49 -1.10 -4.08 4.97 4.76 -1.26 -5.00 118.16 118.95 1f6b n LYS 23 Ca 0.09 0.48 -0.25 0.00 -2.87 0.00 0.00 58.31 55.76 1f6b n LYS 23 Cb 0.38 -4.41 -0.05 0.00 -1.84 0.00 0.00 35.03 29.11 1f6b n LYS 23 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1f6b s LYS 24 N -1.73 2.96 -0.04 1.97 1.02 -0.61 -5.04 119.74 118.28 1f6b s LYS 24 Ca 0.00 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.14 1f6b s LYS 24 Cb 0.00 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1f6b s LYS 24 CO 0.00 0.46 -0.18 0.95 -0.92 0.00 0.00 175.35 175.67 1f6b s THR 25 N -1.86 1.45 0.00 2.17 -4.23 -1.26 -3.89 115.64 108.01 1f6b s THR 25 Ca 0.32 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1f6b s THR 25 Cb -0.09 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1f6b s THR 25 CO 0.24 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 1f6b n GLY 26 N 3.08 0.69 3.13 3.99 0.00 -0.35 -4.27 105.19 111.46 1f6b n GLY 26 Ca -0.18 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1f6b n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6b s LYS 27 N -2.00 2.79 0.06 1.61 1.02 -1.26 -1.73 119.74 120.24 1f6b s LYS 27 Ca 0.00 -0.77 0.08 0.00 0.02 0.00 0.00 55.97 55.30 1f6b s LYS 27 Cb 0.00 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1f6b s LYS 27 CO 0.00 -0.06 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.66 1f6b s LEU 28 N 0.94 2.51 -0.02 3.17 2.01 -0.14 -0.17 118.68 126.98 1f6b s LEU 28 Ca -0.05 -0.51 0.07 0.00 0.01 0.00 0.00 54.13 53.65 1f6b s LEU 28 Cb -0.15 -1.45 -0.02 0.00 0.01 0.00 0.00 46.19 44.58 1f6b s LEU 28 CO -0.04 0.23 -0.24 0.68 1.01 0.00 0.00 176.35 178.00 1f6b s VAL 29 N -0.96 2.26 -0.26 -1.59 -7.23 -0.92 -1.56 120.40 110.14 1f6b s VAL 29 Ca 0.15 -1.05 -0.09 0.00 -1.81 0.00 0.00 61.98 59.18 1f6b s VAL 29 Cb -0.10 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1f6b s VAL 29 CO 0.06 0.57 0.11 -0.36 -0.31 0.00 0.00 175.10 175.17 1f6b s PHE 30 N -0.65 3.14 0.29 2.82 0.08 0.50 -0.95 117.98 123.20 1f6b s PHE 30 Ca 0.10 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 56.99 1f6b s PHE 30 Cb -0.10 -2.29 -0.06 0.00 -0.57 0.00 0.00 43.02 40.00 1f6b s PHE 30 CO -0.00 -0.29 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.22 1f6b s LEU 31 N 1.67 2.56 0.00 -0.37 1.43 0.42 -2.07 118.68 122.31 1f6b s LEU 31 Ca 0.07 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1f6b s LEU 31 Cb -0.15 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1f6b s LEU 31 CO 0.06 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1f6b n GLY 32 N -0.62 2.64 3.71 -3.19 0.00 -1.25 -0.65 105.19 105.83 1f6b n GLY 32 Ca -0.06 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1f6b n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f6b s LEU 33 N 0.00 2.72 0.51 0.99 1.43 -1.26 -1.05 118.68 122.02 1f6b s LEU 33 Ca 0.00 1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 54.76 1f6b s LEU 33 Cb 0.00 -4.38 -0.06 0.00 0.03 0.00 0.00 46.19 41.78 1f6b s LEU 33 CO 0.00 -2.63 1.35 -0.67 0.23 0.00 0.00 176.35 174.63 1f6b n ASP 34 N -3.91 2.76 0.00 2.29 4.64 -1.26 -2.35 116.55 118.72 1f6b n ASP 34 Ca 0.09 1.02 0.00 0.00 -1.38 0.00 0.00 54.79 54.52 1f6b n ASP 34 Cb 0.53 -1.57 0.00 0.00 -1.04 0.00 0.00 41.12 39.04 1f6b n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1f6b n ASN 35 N -0.66 -1.56 0.19 1.67 5.15 -1.26 -4.91 115.26 113.87 1f6b n ASN 35 Ca 0.09 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.12 1f6b n ASN 35 Cb 0.43 -0.50 0.34 0.00 -0.53 0.00 0.00 39.78 39.52 1f6b n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f6b h ALA 36 N 0.00 1.02 0.00 5.20 0.00 -1.81 -3.47 119.26 120.21 1f6b h ALA 36 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1f6b h ALA 36 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1f6b h ALA 36 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1f6b n GLY 37 N 0.17 1.63 0.09 0.00 0.00 -1.26 -4.46 105.19 101.35 1f6b n GLY 37 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1f6b n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f6b h LYS 38 N 0.20 0.18 -0.58 1.61 1.57 -1.91 -0.91 116.57 116.73 1f6b h LYS 38 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1f6b h LYS 38 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1f6b h LYS 38 CO 0.00 0.20 -0.05 1.79 -0.57 0.00 0.00 179.45 180.82 1f6b h THR 39 N 0.12 1.27 -0.78 -0.16 1.35 -1.97 -1.10 112.91 111.64 1f6b h THR 39 Ca 0.05 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1f6b h THR 39 Cb 0.07 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 67.32 1f6b h THR 39 CO -0.01 0.43 0.50 0.74 -0.25 0.00 0.00 175.52 176.93 1f6b h THR 40 N 0.94 1.21 -0.40 6.82 2.02 -1.92 -0.08 112.91 121.50 1f6b h THR 40 Ca 0.16 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1f6b h THR 40 Cb 0.61 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1f6b h THR 40 CO 0.04 0.21 0.14 0.25 0.37 0.00 0.00 175.52 176.52 1f6b h LEU 41 N 1.06 0.57 -0.89 2.58 5.85 -0.81 -2.16 115.31 121.52 1f6b h LEU 41 Ca 0.28 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1f6b h LEU 41 Cb -0.09 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1f6b h LEU 41 CO -0.06 0.61 0.58 0.25 -0.34 0.00 0.00 178.44 179.48 1f6b h LEU 42 N 0.50 0.99 -1.46 2.25 5.85 -0.65 -1.75 115.31 121.04 1f6b h LEU 42 Ca 0.13 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1f6b h LEU 42 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1f6b h LEU 42 CO -0.01 0.70 0.05 0.45 -0.34 0.00 0.00 178.44 179.29 1f6b h HIS 43 N 1.16 0.40 0.00 1.25 3.86 -0.74 0.13 115.15 121.21 1f6b h HIS 43 Ca 0.34 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1f6b h HIS 43 Cb -0.07 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1f6b h HIS 43 CO -0.01 0.38 -0.10 0.52 0.86 0.00 0.00 177.93 179.58 1f6b h MET 44 N 0.40 0.00 0.12 2.45 2.86 -0.67 -2.41 114.93 117.67 1f6b h MET 44 Ca 0.09 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.44 1f6b h MET 44 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1f6b h MET 44 CO -0.00 0.10 -1.47 -0.07 1.06 0.00 0.00 176.91 176.53 1f6b h LEU 45 N 0.00 0.39 -1.18 1.22 3.38 -0.74 -2.90 115.31 115.48 1f6b h LEU 45 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1f6b h LEU 45 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1f6b h LEU 45 CO 0.01 1.42 0.00 0.29 0.09 0.00 0.00 178.44 180.25 1f6b n LYS 46 N -3.46 0.13 0.00 1.13 5.02 -0.64 -4.83 118.16 115.51 1f6b n LYS 46 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1f6b n LYS 46 Cb 1.04 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1f6b n LYS 46 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1f6b n ASP 47 N -2.16 0.00 0.00 4.39 -0.08 -1.03 -5.10 116.55 112.57 1f6b n ASP 47 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1f6b n ASP 47 Cb 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1f6b n ASP 47 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1f6b n ASP 48 N 0.00 0.00 -2.79 1.67 4.64 -1.22 -4.69 116.55 114.15 1f6b n ASP 48 Ca 0.00 0.00 -0.06 0.00 -1.38 0.00 0.00 54.79 53.35 1f6b n ASP 48 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.09 1f6b n ASP 48 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1f6b n PRO 55 N 0.00 -2.09 0.00 -0.67 -0.01 -1.26 -4.75 135.00 126.22 1f6b n PRO 55 Ca 0.00 1.94 0.00 0.00 -0.01 0.00 0.00 63.50 65.43 1f6b n PRO 55 Cb 0.00 -5.43 0.00 0.00 -0.01 0.00 0.00 33.50 28.06 1f6b n PRO 55 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1f6b n THR 56 N -0.51 0.00 -3.93 3.45 -2.24 -1.26 -5.16 114.28 104.63 1f6b n THR 56 Ca 0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 1f6b n THR 56 Cb 0.44 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1f6b n THR 56 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f6b s LEU 57 N 0.00 4.33 -0.47 3.22 1.43 -1.26 -5.08 118.68 120.86 1f6b s LEU 57 Ca 0.00 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1f6b s LEU 57 Cb 0.00 -2.92 0.14 0.00 0.03 0.00 0.00 46.19 43.44 1f6b s LEU 57 CO 0.00 0.12 0.27 -1.00 0.23 0.00 0.00 176.35 175.98 1f6b s HIS 58 N -1.60 2.14 1.02 0.29 3.76 -1.26 -5.01 115.29 114.63 1f6b s HIS 58 Ca 0.35 -2.55 -0.12 0.00 -0.15 0.00 0.00 55.06 52.59 1f6b s HIS 58 Cb -0.12 -1.95 0.20 0.00 1.11 0.00 0.00 32.58 31.82 1f6b s HIS 58 CO 0.28 -0.76 1.07 -2.14 -0.85 0.00 0.00 174.74 172.34 1f6b s PRO 59 N 0.12 0.22 0.52 8.40 0.02 -1.26 -4.93 135.00 138.08 1f6b s PRO 59 Ca 0.19 0.84 0.33 0.00 0.02 0.00 0.00 61.00 62.39 1f6b s PRO 59 Cb -0.20 -1.69 1.48 0.00 0.02 0.00 0.00 34.50 34.11 1f6b s PRO 59 CO -0.03 -2.96 1.99 1.79 -0.33 0.00 0.00 177.00 177.47 1f6b h THR 60 N -2.07 0.00 -2.03 0.99 1.35 -1.99 -3.44 112.91 105.72 1f6b h THR 60 Ca -0.54 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1f6b h THR 60 Cb 1.31 1.30 -0.21 0.00 -1.73 0.00 0.00 68.15 68.82 1f6b h THR 60 CO 0.52 0.00 0.04 -0.55 -0.25 0.00 0.00 175.52 175.29 1f6b s SER 61 N -5.31 -0.87 0.02 5.36 0.15 -1.26 -2.86 113.70 108.93 1f6b s SER 61 Ca 0.01 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1f6b s SER 61 Cb 0.10 1.39 -0.02 0.00 -1.71 0.00 0.00 66.02 65.78 1f6b s SER 61 CO 0.48 -0.24 -0.04 -1.61 1.20 0.00 0.00 173.24 173.04 1f6b s GLU 62 N 1.22 0.33 -0.02 5.44 2.02 -1.23 -4.96 118.70 121.51 1f6b s GLU 62 Ca -0.07 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1f6b s GLU 62 Cb -0.05 0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.19 1f6b s GLU 62 CO -0.13 -0.03 -0.16 -2.00 0.02 0.00 0.00 175.26 172.96 1f6b s GLU 63 N -1.38 1.34 -0.01 1.61 2.12 -1.26 -0.77 118.70 120.35 1f6b s GLU 63 Ca -0.14 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1f6b s GLU 63 Cb -0.09 -1.28 0.02 0.00 0.26 0.00 0.00 34.13 33.04 1f6b s GLU 63 CO -0.01 0.32 0.01 -1.17 -0.54 0.00 0.00 175.26 173.88 1f6b s LEU 64 N -0.31 1.46 -0.09 2.70 1.98 0.55 -4.98 118.68 119.99 1f6b s LEU 64 Ca 0.05 0.01 0.03 0.00 -2.89 0.00 0.00 54.13 51.32 1f6b s LEU 64 Cb -0.07 -0.07 0.01 0.00 0.66 0.00 0.00 46.19 46.72 1f6b s LEU 64 CO -0.00 -0.07 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.33 1f6b s THR 65 N 0.62 1.53 -0.16 3.68 2.01 -1.26 0.52 115.64 122.59 1f6b s THR 65 Ca -0.05 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1f6b s THR 65 Cb -0.08 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.09 1f6b s THR 65 CO -0.02 0.45 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 1f6b s ILE 66 N 0.70 1.15 0.00 1.82 1.01 0.20 -5.00 121.20 121.08 1f6b s ILE 66 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1f6b s ILE 66 Cb -0.16 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1f6b s ILE 66 CO 0.03 0.20 0.00 0.00 0.00 0.00 0.00 174.94 175.17 1f6b n ALA 67 N 4.87 0.00 1.60 9.38 0.00 -1.26 -1.12 120.51 133.98 1f6b n ALA 67 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.42 1f6b n ALA 67 Cb 0.48 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.42 1f6b n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f6b n GLY 68 N 0.00 -0.32 3.58 0.00 0.00 -1.26 -4.86 105.19 102.34 1f6b n GLY 68 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1f6b n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f6b s MET 69 N -1.90 3.42 -0.03 1.61 1.00 -0.27 -1.21 119.30 121.91 1f6b s MET 69 Ca 0.32 -0.46 0.06 0.00 0.00 0.00 0.00 55.69 55.61 1f6b s MET 69 Cb 0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 34.83 32.09 1f6b s MET 69 CO 0.25 0.43 -0.23 -0.08 0.00 0.00 0.00 175.02 175.40 1f6b s THR 70 N -0.14 1.83 -0.08 2.05 -1.32 -0.71 -0.63 115.64 116.64 1f6b s THR 70 Ca 0.04 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.58 1f6b s THR 70 Cb -0.13 -1.53 0.01 0.00 -1.51 0.00 0.00 72.50 69.34 1f6b s THR 70 CO 0.02 0.52 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.42 1f6b s PHE 71 N -0.37 1.89 -0.02 9.09 0.40 0.19 -0.96 117.98 128.19 1f6b s PHE 71 Ca 0.04 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 55.64 1f6b s PHE 71 Cb -0.10 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1f6b s PHE 71 CO 0.01 -0.34 -0.06 0.99 0.70 0.00 0.00 175.22 176.52 1f6b s THR 72 N 0.56 0.53 0.05 0.64 2.01 -0.60 -0.33 115.64 118.51 1f6b s THR 72 Ca -0.16 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1f6b s THR 72 Cb -0.17 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1f6b s THR 72 CO 0.05 0.18 0.06 0.42 -0.69 0.00 0.00 174.62 174.64 1f6b s THR 73 N 0.25 4.47 -0.12 -0.82 -4.23 0.05 -0.37 115.64 114.87 1f6b s THR 73 Ca -0.03 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 59.72 1f6b s THR 73 Cb -0.07 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1f6b s THR 73 CO -0.00 0.20 0.28 -0.36 -0.54 0.00 0.00 174.62 174.20 1f6b s PHE 74 N -1.30 -0.38 0.13 3.99 0.40 -0.88 -3.54 117.98 116.39 1f6b s PHE 74 Ca 0.26 0.89 -0.30 0.00 -0.60 0.00 0.00 56.93 57.18 1f6b s PHE 74 Cb -0.12 0.09 -0.06 0.00 0.51 0.00 0.00 43.02 43.44 1f6b s PHE 74 CO 0.19 -0.25 0.98 -0.51 0.70 0.00 0.00 175.22 176.33 1f6b s ASP 75 N 1.25 7.47 -0.02 1.36 1.01 -1.13 -3.92 116.67 122.69 1f6b s ASP 75 Ca -0.09 1.85 -0.00 0.00 0.71 0.00 0.00 52.55 55.01 1f6b s ASP 75 Cb -0.10 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1f6b s ASP 75 CO -0.09 -0.08 0.05 -0.76 0.21 0.00 0.00 175.17 174.50 1f6b s LEU 76 N -0.10 3.78 0.00 1.23 1.43 -0.22 -4.95 118.68 119.86 1f6b s LEU 76 Ca 0.47 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1f6b s LEU 76 Cb -0.24 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1f6b s LEU 76 CO 0.31 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.79 1f6b n GLY 77 N 1.39 0.94 4.05 -3.19 0.00 -1.26 -4.22 105.19 102.90 1f6b n GLY 77 Ca -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1f6b n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6b n GLY 78 N 0.00 2.59 1.32 -0.02 0.00 -1.26 -4.83 105.19 102.99 1f6b n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f6b n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6b n ARG 83 N -0.90 0.00 0.00 1.61 1.74 -1.26 -5.13 116.66 112.72 1f6b n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1f6b n ARG 83 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 1f6b n ARG 83 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1f6b n ARG 84 N -0.61 0.00 -0.33 5.56 1.74 -1.26 -4.44 116.66 117.32 1f6b n ARG 84 Ca 0.00 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.29 1f6b n ARG 84 Cb 0.48 -0.75 0.40 0.00 -1.02 0.00 0.00 32.46 31.58 1f6b n ARG 84 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1f6b h VAL 85 N 0.00 0.08 -0.97 1.55 2.07 -2.04 -0.17 116.25 116.77 1f6b h VAL 85 Ca 0.00 -0.02 0.28 0.00 0.82 0.00 0.00 66.70 67.78 1f6b h VAL 85 Cb 0.00 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 1f6b h VAL 85 CO 0.00 0.01 0.78 4.11 0.02 0.00 0.00 177.57 182.49 1f6b h TRP 86 N 0.06 0.00 0.00 1.57 5.08 -1.99 -0.46 115.95 120.21 1f6b h TRP 86 Ca 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.65 1f6b h TRP 86 Cb 1.58 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.74 1f6b h TRP 86 CO -0.26 0.00 -0.04 0.87 -1.28 0.00 0.00 178.44 177.73 1f6b h LYS 87 N 0.00 0.00 0.00 0.12 1.57 -1.40 -2.35 116.57 114.50 1f6b h LYS 87 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1f6b h LYS 87 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1f6b h LYS 87 CO -0.00 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 1f6b n ASN 88 N -3.24 0.56 0.10 0.86 3.02 -0.18 -2.46 115.26 113.93 1f6b n ASN 88 Ca -0.01 0.63 0.12 0.00 -0.03 0.00 0.00 54.58 55.29 1f6b n ASN 88 Cb 0.21 -0.76 0.04 0.00 -0.61 0.00 0.00 39.78 38.67 1f6b n ASN 88 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1f6b h TYR 89 N 0.00 0.00 -0.89 3.10 3.20 -1.61 -3.39 116.97 117.38 1f6b h TYR 89 Ca 0.00 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1f6b h TYR 89 Cb 0.36 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1f6b h TYR 89 CO 0.00 0.00 0.58 -0.07 -1.64 0.00 0.00 178.16 177.03 1f6b h LEU 90 N 0.00 0.70 -2.03 2.82 4.07 -1.60 -1.17 115.31 118.10 1f6b h LEU 90 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1f6b h LEU 90 Cb 0.95 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1f6b h LEU 90 CO 0.00 0.36 0.00 -0.65 -1.08 0.00 0.00 178.44 177.07 1f6b h PRO 91 N 0.74 0.00 -0.00 1.13 0.11 -1.78 -2.73 132.00 129.47 1f6b h PRO 91 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1f6b h PRO 91 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1f6b h PRO 91 CO -0.20 0.00 -0.83 0.00 -0.21 0.00 0.00 178.00 176.75 1f6b n ALA 92 N -1.95 4.38 -1.89 -0.75 0.00 -0.44 -5.01 120.51 114.85 1f6b n ALA 92 Ca -0.01 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.52 1f6b n ALA 92 Cb 0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1f6b n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1f6b s ILE 93 N -2.86 4.65 -0.14 0.00 -4.36 -1.03 -4.68 121.20 112.78 1f6b s ILE 93 Ca 0.11 0.98 0.03 0.00 -0.26 0.00 0.00 60.65 61.51 1f6b s ILE 93 Cb 0.17 -3.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.04 1f6b s ILE 93 CO 0.78 -0.93 0.13 0.59 0.24 0.00 0.00 174.94 175.75 1f6b n ASN 94 N -2.21 0.17 -3.53 4.36 3.02 0.76 -4.95 115.26 112.88 1f6b n ASN 94 Ca 0.06 -0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 53.90 1f6b n ASN 94 Cb 0.54 0.96 -0.04 0.00 -0.61 0.00 0.00 39.78 40.63 1f6b n ASN 94 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1f6b s GLY 95 N -1.21 -0.42 -0.06 7.41 0.00 -1.17 -4.29 107.32 107.58 1f6b s GLY 95 Ca 0.01 1.51 0.04 0.00 0.00 0.00 0.00 44.72 46.28 1f6b s GLY 95 CO 0.11 0.79 -0.18 -0.42 0.00 0.00 0.00 173.10 173.39 1f6b s ILE 96 N -1.79 1.56 -0.27 0.90 1.01 -0.56 -2.17 121.20 119.87 1f6b s ILE 96 Ca -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1f6b s ILE 96 Cb -0.01 -1.35 0.05 0.00 0.01 0.00 0.00 42.46 41.17 1f6b s ILE 96 CO 0.00 0.45 -0.07 -0.69 0.00 0.00 0.00 174.94 174.63 1f6b s VAL 97 N 0.21 2.53 -0.33 2.92 1.01 -0.13 -0.44 120.40 126.17 1f6b s VAL 97 Ca -0.09 -1.50 -0.10 0.00 0.00 0.00 0.00 61.98 60.29 1f6b s VAL 97 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1f6b s VAL 97 CO 0.04 -0.04 0.17 0.12 0.00 0.00 0.00 175.10 175.38 1f6b s PHE 98 N 1.17 3.19 -0.06 5.22 5.36 0.56 -0.44 117.98 132.99 1f6b s PHE 98 Ca -0.07 -0.67 -0.13 0.00 -0.96 0.00 0.00 56.93 55.10 1f6b s PHE 98 Cb -0.20 -2.38 -0.05 0.00 -0.34 0.00 0.00 43.02 40.06 1f6b s PHE 98 CO -0.04 -0.50 0.34 -0.51 -1.46 0.00 0.00 175.22 173.05 1f6b s LEU 99 N 1.60 4.41 -0.10 6.12 1.02 0.18 -0.86 118.68 131.05 1f6b s LEU 99 Ca 0.04 0.78 0.03 0.00 0.02 0.00 0.00 54.13 55.00 1f6b s LEU 99 Cb -0.18 -2.45 0.01 0.00 0.02 0.00 0.00 46.19 43.59 1f6b s LEU 99 CO 0.06 0.29 -0.20 -0.69 0.02 0.00 0.00 176.35 175.83 1f6b s VAL 100 N -0.72 1.80 -0.76 -1.59 1.01 -0.48 -4.34 120.40 115.31 1f6b s VAL 100 Ca 0.21 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 1f6b s VAL 100 Cb -0.15 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1f6b s VAL 100 CO 0.10 0.50 1.24 -0.62 0.00 0.00 0.00 175.10 176.32 1f6b s ASP 101 N 0.59 6.21 0.05 3.32 -1.08 -1.26 -0.76 116.67 123.75 1f6b s ASP 101 Ca -0.14 -0.70 0.14 0.00 -0.52 0.00 0.00 52.55 51.32 1f6b s ASP 101 Cb -0.17 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.35 1f6b s ASP 101 CO 0.04 -1.71 1.43 0.00 0.52 0.00 0.00 175.17 175.45 1f6b n ALA 103 N -1.55 3.66 -3.50 0.00 0.00 -1.26 -1.36 120.51 116.50 1f6b n ALA 103 Ca 0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 1f6b n ALA 103 Cb 0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1f6b n ALA 103 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f6b s ASP 104 N -2.83 6.56 0.24 0.00 -1.08 -0.86 -4.78 116.67 113.92 1f6b s ASP 104 Ca 0.14 -3.56 -0.05 0.00 -0.52 0.00 0.00 52.55 48.56 1f6b s ASP 104 Cb 0.18 -2.05 0.35 0.00 -1.46 0.00 0.00 42.92 39.94 1f6b s ASP 104 CO 0.68 -0.26 1.84 0.45 0.52 0.00 0.00 175.17 178.39 1f6b h HIS 105 N 6.45 0.95 -0.07 -5.34 3.86 -1.82 -2.49 115.15 116.70 1f6b h HIS 105 Ca 0.15 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1f6b h HIS 105 Cb 0.86 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 1f6b h HIS 105 CO 0.76 0.46 0.09 0.93 0.86 0.00 0.00 177.93 181.03 1f6b h GLU 106 N 0.92 0.00 -0.30 2.45 5.08 -1.97 -2.40 114.58 118.37 1f6b h GLU 106 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1f6b h GLU 106 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1f6b h GLU 106 CO -0.19 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.36 1f6b n ARG 107 N -3.66 2.16 -0.28 2.33 1.74 -0.94 -4.57 116.66 113.43 1f6b n ARG 107 Ca -0.01 -1.92 -0.03 0.00 -0.77 0.00 0.00 57.85 55.12 1f6b n ARG 107 Cb 0.18 -1.33 0.08 0.00 -1.02 0.00 0.00 32.46 30.37 1f6b n ARG 107 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1f6b h LEU 108 N 2.82 0.83 -0.54 0.55 3.38 -1.37 -0.71 115.31 120.26 1f6b h LEU 108 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1f6b h LEU 108 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1f6b h LEU 108 CO 0.00 0.58 0.20 0.25 0.09 0.00 0.00 178.44 179.56 1f6b h LEU 109 N 0.98 0.76 -0.94 1.67 5.85 -1.80 -0.20 115.31 121.63 1f6b h LEU 109 Ca 0.30 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1f6b h LEU 109 Cb -0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1f6b h LEU 109 CO -0.10 0.74 0.27 -0.08 -0.34 0.00 0.00 178.44 178.93 1f6b h GLU 110 N 0.74 1.04 -0.22 1.25 4.81 -1.76 -0.92 114.58 119.52 1f6b h GLU 110 Ca 0.18 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1f6b h GLU 110 Cb 0.23 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1f6b h GLU 110 CO -0.01 0.85 0.08 1.03 -0.73 0.00 0.00 179.01 180.23 1f6b h SER 111 N 1.02 0.31 -0.74 1.04 0.87 -0.70 -2.17 113.55 113.18 1f6b h SER 111 Ca 0.23 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1f6b h SER 111 Cb 0.21 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1f6b h SER 111 CO -0.02 0.42 0.47 0.50 -0.53 0.00 0.00 176.83 177.67 1f6b h LYS 112 N 0.19 0.90 -0.84 2.24 3.64 -0.68 -1.54 116.57 120.48 1f6b h LYS 112 Ca 0.07 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1f6b h LYS 112 Cb 0.21 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1f6b h LYS 112 CO -0.00 0.59 0.56 0.93 -2.27 0.00 0.00 179.45 179.26 1f6b h GLU 113 N 0.93 1.11 -0.44 1.90 5.08 -0.95 0.58 114.58 122.78 1f6b h GLU 113 Ca 0.29 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1f6b h GLU 113 Cb -0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1f6b h GLU 113 CO -0.10 0.73 0.09 0.93 -1.00 0.00 0.00 179.01 179.66 1f6b h GLU 114 N 1.14 0.72 -0.52 2.33 4.39 -0.77 -2.03 114.58 119.84 1f6b h GLU 114 Ca 0.31 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1f6b h GLU 114 Cb -0.13 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1f6b h GLU 114 CO -0.07 0.73 0.27 1.25 -1.16 0.00 0.00 179.01 180.04 1f6b h LEU 115 N 0.58 0.66 -1.32 1.33 5.85 -0.85 -2.29 115.31 119.27 1f6b h LEU 115 Ca 0.14 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1f6b h LEU 115 Cb 0.35 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1f6b h LEU 115 CO 0.01 0.57 0.49 0.44 -0.34 0.00 0.00 178.44 179.61 1f6b h ASP 116 N 0.69 0.75 -0.62 1.25 3.32 -0.70 -0.18 116.42 120.94 1f6b h ASP 116 Ca 0.18 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1f6b h ASP 116 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1f6b h ASP 116 CO -0.03 0.51 0.08 -1.28 -1.72 0.00 0.00 179.24 176.81 1f6b h SER 117 N 0.87 0.99 -0.67 6.45 0.87 -0.89 -2.36 113.55 118.81 1f6b h SER 117 Ca 0.30 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1f6b h SER 117 Cb 0.11 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1f6b h SER 117 CO -0.09 1.01 0.16 -0.07 -0.53 0.00 0.00 176.83 177.32 1f6b h LEU 118 N 0.94 1.02 0.00 2.23 -0.00 -0.71 -2.67 115.31 116.11 1f6b h LEU 118 Ca 0.18 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1f6b h LEU 118 Cb 0.45 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1f6b h LEU 118 CO 0.02 0.99 0.00 0.23 -0.00 0.00 0.00 178.44 179.67 1f6b n MET 119 N -4.28 0.07 -0.09 1.13 2.81 -0.19 -2.26 117.12 114.30 1f6b n MET 119 Ca 0.05 0.19 0.04 0.00 -1.81 0.00 0.00 57.70 56.16 1f6b n MET 119 Cb 0.25 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.35 1f6b n MET 119 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1f6b n THR 120 N -1.44 0.76 -2.75 2.03 -2.24 -0.92 -4.96 114.28 104.78 1f6b n THR 120 Ca 0.05 -0.88 -0.43 0.00 -2.27 0.00 0.00 64.05 60.52 1f6b n THR 120 Cb 0.17 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1f6b n THR 120 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f6b s ASP 121 N -0.92 6.66 0.44 3.42 -1.08 -0.96 -4.92 116.67 119.32 1f6b s ASP 121 Ca 0.15 0.51 0.15 0.00 -0.52 0.00 0.00 52.55 52.83 1f6b s ASP 121 Cb 0.08 -2.49 1.06 0.00 -1.46 0.00 0.00 42.92 40.11 1f6b s ASP 121 CO 0.11 -0.99 1.99 -0.33 0.52 0.00 0.00 175.17 176.47 1f6b h GLU 122 N 8.72 0.35 -0.20 4.34 5.08 -1.92 -2.24 114.58 128.71 1f6b h GLU 122 Ca -0.23 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1f6b h GLU 122 Cb 1.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1f6b h GLU 122 CO 1.03 0.23 0.15 1.15 -1.00 0.00 0.00 179.01 180.58 1f6b h THR 123 N 0.37 0.86 0.00 1.13 2.02 -1.96 -3.00 112.91 112.33 1f6b h THR 123 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 1f6b h THR 123 Cb 0.54 0.89 -0.12 0.00 -1.74 0.00 0.00 68.15 67.73 1f6b h THR 123 CO -0.07 0.00 -0.60 2.30 0.37 0.00 0.00 175.52 177.52 1f6b n ILE 124 N -4.42 1.34 -0.15 3.11 -5.35 -0.86 -4.81 119.36 108.22 1f6b n ILE 124 Ca 0.02 -2.21 0.26 0.00 -0.27 0.00 0.00 62.75 60.55 1f6b n ILE 124 Cb 0.29 0.19 0.70 0.00 -1.74 0.00 0.00 39.64 39.08 1f6b n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1f6b h ALA 125 N 0.80 2.73 -0.26 -1.28 0.00 -1.35 -1.78 119.26 118.13 1f6b h ALA 125 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1f6b h ALA 125 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1f6b h ALA 125 CO 0.03 -0.97 0.00 0.09 0.00 0.00 0.00 179.25 178.40 1f6b n ASN 126 N -4.31 2.85 -4.68 0.00 3.02 -1.26 -4.75 115.26 106.13 1f6b n ASN 126 Ca 0.17 -1.84 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 1f6b n ASN 126 Cb 0.87 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1f6b n ASN 126 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f6b s VAL 127 N -1.19 4.54 0.50 2.41 1.01 -0.67 -4.78 120.40 122.23 1f6b s VAL 127 Ca 0.26 1.84 -0.23 0.00 0.00 0.00 0.00 61.98 63.85 1f6b s VAL 127 Cb 0.16 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1f6b s VAL 127 CO 0.22 -0.02 1.36 -0.81 0.00 0.00 0.00 175.10 175.84 1f6b n PRO 128 N 5.30 1.89 -4.21 2.72 -0.04 -1.26 -4.78 135.00 134.61 1f6b n PRO 128 Ca 0.10 0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 63.95 1f6b n PRO 128 Cb 0.47 -2.55 -0.17 0.00 -0.04 0.00 0.00 33.50 31.22 1f6b n PRO 128 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1f6b s ILE 129 N -1.25 1.55 -0.27 0.52 1.01 -0.38 -1.49 121.20 120.89 1f6b s ILE 129 Ca 0.67 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1f6b s ILE 129 Cb -0.44 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1f6b s ILE 129 CO 0.53 0.45 0.09 -0.22 0.00 0.00 0.00 174.94 175.79 1f6b s LEU 130 N 1.28 3.67 -0.25 2.97 2.96 0.41 -2.51 118.68 127.21 1f6b s LEU 130 Ca 0.00 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 1f6b s LEU 130 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1f6b s LEU 130 CO -0.07 -0.10 0.21 -0.63 -1.32 0.00 0.00 176.35 174.44 1f6b s ILE 131 N 1.59 5.31 -0.28 6.68 1.01 -0.16 -0.33 121.20 135.02 1f6b s ILE 131 Ca 0.05 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 1f6b s ILE 131 Cb -0.16 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1f6b s ILE 131 CO 0.04 0.29 0.09 -0.76 0.00 0.00 0.00 174.94 174.60 1f6b s LEU 132 N 1.40 3.76 -0.79 2.97 1.43 -0.04 -0.93 118.68 126.49 1f6b s LEU 132 Ca 0.09 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.50 1f6b s LEU 132 Cb -0.15 -1.93 0.09 0.00 0.03 0.00 0.00 46.19 44.23 1f6b s LEU 132 CO 0.07 -0.13 1.09 -0.83 0.23 0.00 0.00 176.35 176.78 1f6b s GLY 133 N 1.57 1.52 0.49 -3.19 0.00 -0.25 -1.38 107.32 106.07 1f6b s GLY 133 Ca 0.05 -2.17 -0.04 0.00 0.00 0.00 0.00 44.72 42.55 1f6b s GLY 133 CO 0.04 2.14 0.77 0.21 0.00 0.00 0.00 173.10 176.26 1f6b s ASN 134 N 3.80 6.06 -0.63 1.64 2.47 0.06 -0.64 114.94 127.70 1f6b s ASN 134 Ca 0.29 0.74 -0.03 0.00 0.42 0.00 0.00 52.86 54.28 1f6b s ASN 134 Cb -0.11 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 1f6b s ASN 134 CO 0.02 -0.67 0.35 0.29 -3.72 0.00 0.00 177.10 173.36 1f6b n LYS 135 N -2.26 -2.55 0.00 0.43 5.02 -0.81 -1.43 118.16 116.56 1f6b n LYS 135 Ca 0.01 0.38 0.08 0.00 -2.02 0.00 0.00 58.31 56.75 1f6b n LYS 135 Cb 0.56 -4.09 0.36 0.00 -0.02 0.00 0.00 35.03 31.84 1f6b n LYS 135 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1f6b n ILE 136 N -3.71 0.82 0.38 -0.18 -5.35 -1.10 -1.93 119.36 108.29 1f6b n ILE 136 Ca -0.03 0.20 0.14 0.00 -0.27 0.00 0.00 62.75 62.79 1f6b n ILE 136 Cb 0.54 -0.93 0.52 0.00 -1.74 0.00 0.00 39.64 38.04 1f6b n ILE 136 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1f6b h ASP 137 N 0.00 0.00 -3.45 7.28 2.03 -1.92 -3.43 116.42 116.93 1f6b h ASP 137 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 1f6b h ASP 137 Cb 0.26 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.73 1f6b h ASP 137 CO 0.00 0.00 0.28 -0.13 -1.03 0.00 0.00 179.24 178.36 1f6b s ARG 138 N -3.39 4.56 0.45 4.15 1.81 -0.81 -4.96 118.95 120.76 1f6b s ARG 138 Ca 0.04 1.27 0.15 0.00 -1.72 0.00 0.00 55.73 55.47 1f6b s ARG 138 Cb 0.09 -3.42 1.08 0.00 -0.45 0.00 0.00 34.95 32.25 1f6b s ARG 138 CO 0.48 0.10 2.00 -1.00 -0.68 0.00 0.00 175.30 176.20 1f6b h PRO 139 N 6.25 0.33 -0.00 3.54 0.13 -1.89 -1.08 132.00 139.28 1f6b h PRO 139 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1f6b h PRO 139 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1f6b h PRO 139 CO 0.73 0.22 -0.00 -0.85 -0.23 0.00 0.00 178.00 177.87 1f6b n GLU 140 N -4.46 1.13 -1.94 0.86 0.00 -1.26 -4.88 120.64 110.08 1f6b n GLU 140 Ca 0.09 -0.24 -0.42 0.00 0.00 0.00 0.00 57.16 56.59 1f6b n GLU 140 Cb 0.36 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.28 1f6b n GLU 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f6b s ALA 141 N -2.04 3.71 0.68 -1.84 0.00 -0.41 -4.58 121.76 117.28 1f6b s ALA 141 Ca 0.44 1.38 -0.13 0.00 0.00 0.00 0.00 51.96 53.65 1f6b s ALA 141 Cb 0.22 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1f6b s ALA 141 CO 0.37 -0.79 1.09 0.96 0.00 0.00 0.00 175.76 177.38 1f6b s ILE 142 N 0.46 3.52 0.80 0.00 -4.36 -0.46 -4.93 121.20 116.24 1f6b s ILE 142 Ca 0.64 0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 61.53 1f6b s ILE 142 Cb -0.44 -3.16 0.07 0.00 1.25 0.00 0.00 42.46 40.19 1f6b s ILE 142 CO 0.39 -0.53 1.12 -0.94 0.24 0.00 0.00 174.94 175.22 1f6b s SER 143 N -3.05 4.50 0.26 4.36 1.04 -1.26 -4.86 113.70 114.70 1f6b s SER 143 Ca 0.63 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 58.16 1f6b s SER 143 Cb -0.18 -1.80 0.34 0.00 0.10 0.00 0.00 66.02 64.49 1f6b s SER 143 CO 0.47 -1.94 1.80 -0.08 0.98 0.00 0.00 173.24 174.47 1f6b h GLU 144 N -1.07 0.87 -0.25 4.02 4.81 -1.99 -0.78 114.58 120.20 1f6b h GLU 144 Ca -0.47 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1f6b h GLU 144 Cb 1.29 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1f6b h GLU 144 CO 0.62 0.80 0.16 1.49 -0.73 0.00 0.00 179.01 181.35 1f6b h GLU 145 N 0.84 0.32 -0.67 1.92 4.81 -1.99 -0.09 114.58 119.71 1f6b h GLU 145 Ca 0.18 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1f6b h GLU 145 Cb 0.33 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1f6b h GLU 145 CO 0.00 0.21 0.16 -0.09 -0.73 0.00 0.00 179.01 178.57 1f6b h ARG 146 N 0.33 1.06 -0.08 1.92 2.43 -1.83 -1.02 114.38 117.19 1f6b h ARG 146 Ca 0.09 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1f6b h ARG 146 Cb -0.04 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1f6b h ARG 146 CO -0.02 0.94 0.04 1.25 -1.51 0.00 0.00 179.97 180.67 1f6b h LEU 147 N 1.01 0.11 -0.58 3.80 5.85 -0.75 0.31 115.31 125.05 1f6b h LEU 147 Ca 0.21 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1f6b h LEU 147 Cb 0.36 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1f6b h LEU 147 CO 0.00 0.18 0.36 0.03 -0.34 0.00 0.00 178.44 178.67 1f6b h ARG 148 N 0.03 0.78 -0.07 1.25 3.08 -0.85 -1.17 114.38 117.44 1f6b h ARG 148 Ca 0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1f6b h ARG 148 Cb 0.10 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1f6b h ARG 148 CO -0.00 0.55 0.03 0.93 -1.07 0.00 0.00 179.97 180.40 1f6b h GLU 149 N 0.78 0.10 -0.44 0.04 5.08 -1.01 0.68 114.58 119.81 1f6b h GLU 149 Ca 0.21 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1f6b h GLU 149 Cb -0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1f6b h GLU 149 CO -0.04 0.24 0.13 0.52 -1.00 0.00 0.00 179.01 178.86 1f6b h MET 150 N -0.06 0.64 -0.02 2.33 2.86 -0.78 -1.86 114.93 118.05 1f6b h MET 150 Ca 0.02 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1f6b h MET 150 Cb 0.18 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1f6b h MET 150 CO -0.00 0.57 0.00 1.19 1.06 0.00 0.00 176.91 179.72 1f6b n PHE 151 N -4.33 0.00 -3.51 -0.22 0.99 -0.45 -4.94 117.46 105.00 1f6b n PHE 151 Ca 0.03 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.27 1f6b n PHE 151 Cb 0.18 0.00 0.08 0.00 -1.00 0.00 0.00 39.48 38.74 1f6b n PHE 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1f6b n GLY 152 N 1.14 -0.45 0.03 1.37 0.00 -0.43 -4.94 105.19 101.92 1f6b n GLY 152 Ca 0.20 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1f6b n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f6b n LEU 153 N -4.57 0.63 -4.71 0.99 4.77 0.10 -4.80 117.00 109.41 1f6b n LEU 153 Ca -0.11 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 1f6b n LEU 153 Cb 0.60 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1f6b n LEU 153 CO 0.62 0.04 1.38 -0.31 -1.33 0.00 0.00 177.39 177.79 1f6b s TYR 154 N -3.15 2.62 0.00 -1.77 1.51 -1.26 -0.61 117.35 114.69 1f6b s TYR 154 Ca 0.06 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1f6b s TYR 154 Cb 0.15 -4.11 0.00 0.00 -0.11 0.00 0.00 41.96 37.89 1f6b s TYR 154 CO 0.77 -4.33 0.00 0.41 -1.11 0.00 0.00 175.55 171.29 1f6b n GLY 155 N 4.03 1.12 0.08 0.71 0.00 -1.26 -4.84 105.19 105.03 1f6b n GLY 155 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1f6b n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f6b n GLN 156 N -2.00 1.25 -1.85 1.61 1.13 0.22 -5.00 117.38 112.74 1f6b n GLN 156 Ca 0.00 0.03 -0.34 0.00 -1.94 0.00 0.00 57.00 54.74 1f6b n GLN 156 Cb 0.00 -1.38 0.04 0.00 0.11 0.00 0.00 30.24 29.01 1f6b n GLN 156 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1f6b s THR 157 N -2.37 2.88 -2.55 5.09 -4.23 -1.11 -4.78 115.64 108.58 1f6b s THR 157 Ca -0.13 0.48 0.21 0.00 -1.18 0.00 0.00 61.69 61.07 1f6b s THR 157 Cb 0.05 -3.07 0.15 0.00 1.34 0.00 0.00 72.50 70.96 1f6b s THR 157 CO 0.56 -0.19 1.15 0.35 -0.54 0.00 0.00 174.62 175.95 1f6b n THR 158 N -2.06 0.00 0.00 3.99 -2.24 0.22 -4.96 114.28 109.23 1f6b n THR 158 Ca 0.12 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1f6b n THR 158 Cb 0.51 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 1f6b n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f6b n GLY 159 N 1.21 2.84 0.15 3.38 0.00 -1.26 -4.93 105.19 106.59 1f6b n GLY 159 Ca 0.12 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1f6b n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6b n LYS 160 N 1.14 0.62 -0.05 1.61 5.02 -1.26 -4.89 118.16 120.34 1f6b n LYS 160 Ca 0.00 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1f6b n LYS 160 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1f6b n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f6b n GLY 161 N 1.35 -0.86 3.48 0.72 0.00 -1.26 -4.93 105.19 103.69 1f6b n GLY 161 Ca 0.12 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1f6b n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f6b s SER 162 N -1.00 6.59 -0.25 1.61 0.01 -1.26 -4.97 113.70 114.43 1f6b s SER 162 Ca 0.00 -1.89 -0.03 0.00 1.31 0.00 0.00 55.95 55.35 1f6b s SER 162 Cb 0.00 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1f6b s SER 162 CO 0.00 -1.18 -0.04 -0.69 0.41 0.00 0.00 173.24 171.74 1f6b s VAL 163 N 3.28 3.06 0.51 3.43 1.01 -1.26 -5.10 120.40 125.33 1f6b s VAL 163 Ca 0.36 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1f6b s VAL 163 Cb -0.04 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1f6b s VAL 163 CO -0.10 0.21 1.31 -0.94 0.00 0.00 0.00 175.10 175.58 1f6b s SER 164 N 1.36 5.62 0.00 3.32 1.04 -1.26 -4.84 113.70 118.93 1f6b s SER 164 Ca 0.01 2.66 0.09 0.00 0.48 0.00 0.00 55.95 59.19 1f6b s SER 164 Cb -0.16 -2.63 0.56 0.00 0.10 0.00 0.00 66.02 63.89 1f6b s SER 164 CO -0.04 -1.33 0.99 0.00 0.98 0.00 0.00 173.24 173.85 1f6b n LEU 165 N -0.74 0.00 -0.07 2.42 -0.00 -1.26 -2.12 117.00 115.23 1f6b n LEU 165 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.00 1f6b n LEU 165 Cb 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.80 1f6b n LEU 165 CO 0.52 0.00 0.14 0.11 -0.00 0.00 0.00 177.39 178.17 1f6b h LYS 166 N 0.00 0.00 0.00 1.47 1.57 -1.98 -3.28 116.57 114.35 1f6b h LYS 166 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1f6b h LYS 166 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1f6b h LYS 166 CO 0.00 0.60 -0.21 0.93 -0.57 0.00 0.00 179.45 180.19 1f6b h GLU 167 N -1.00 0.00 -6.12 3.15 5.08 -1.80 -3.40 114.58 110.49 1f6b h GLU 167 Ca -0.03 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.78 1f6b h GLU 167 Cb 0.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1f6b h GLU 167 CO -0.02 0.21 0.09 -0.51 -1.00 0.00 0.00 179.01 177.78 1f6b s LEU 168 N -8.09 4.38 0.00 1.33 1.43 -0.91 -4.91 118.68 111.91 1f6b s LEU 168 Ca -0.03 1.26 0.09 0.00 -1.03 0.00 0.00 54.13 54.42 1f6b s LEU 168 Cb 0.15 -3.09 0.21 0.00 0.03 0.00 0.00 46.19 43.48 1f6b s LEU 168 CO 0.67 -0.03 1.10 -3.20 0.23 0.00 0.00 176.35 175.12 1f6b n ASN 169 N 3.25 2.51 -4.64 2.29 5.15 -1.26 -4.71 115.26 117.85 1f6b n ASN 169 Ca -0.03 -1.84 -0.30 0.00 -0.60 0.00 0.00 54.58 51.82 1f6b n ASN 169 Cb 0.51 -0.14 -0.09 0.00 -0.53 0.00 0.00 39.78 39.52 1f6b n ASN 169 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f6b s ALA 170 N -0.94 3.49 0.03 5.20 0.00 -1.26 -5.11 121.76 123.17 1f6b s ALA 170 Ca 0.17 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 1f6b s ALA 170 Cb 0.10 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1f6b s ALA 170 CO 0.13 -0.10 1.18 0.50 0.00 0.00 0.00 175.76 177.47 1f6b s ARG 171 N -3.79 4.42 0.18 0.00 3.52 -1.26 -4.96 118.95 117.06 1f6b s ARG 171 Ca 0.22 1.72 -0.33 0.00 -0.13 0.00 0.00 55.73 57.21 1f6b s ARG 171 Cb 0.06 -3.41 -0.13 0.00 -1.56 0.00 0.00 34.95 29.91 1f6b s ARG 171 CO 0.11 -0.29 1.59 -2.30 -0.81 0.00 0.00 175.30 173.61 1f6b n PRO 172 N 4.23 2.27 -3.67 5.12 -0.02 -1.26 -4.81 135.00 136.86 1f6b n PRO 172 Ca 0.09 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.30 1f6b n PRO 172 Cb 0.47 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 1f6b n PRO 172 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1f6b s LEU 173 N 0.85 -0.41 0.11 2.45 2.96 -1.26 -1.25 118.68 122.13 1f6b s LEU 173 Ca 0.77 0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 55.54 1f6b s LEU 173 Cb -0.64 1.39 0.01 0.00 0.50 0.00 0.00 46.19 47.44 1f6b s LEU 173 CO 0.38 -0.22 0.25 -1.61 -1.32 0.00 0.00 176.35 173.84 1f6b s GLU 174 N 2.04 0.94 -0.10 1.98 0.41 -1.04 -0.61 118.70 122.32 1f6b s GLU 174 Ca -0.05 -0.93 0.04 0.00 -0.41 0.00 0.00 54.97 53.61 1f6b s GLU 174 Cb -0.10 0.38 0.00 0.00 -1.78 0.00 0.00 34.13 32.63 1f6b s GLU 174 CO -0.13 -0.33 -0.22 0.08 -0.49 0.00 0.00 175.26 174.17 1f6b s VAL 175 N -3.86 1.94 -0.05 2.63 1.01 -1.26 -0.99 120.40 119.81 1f6b s VAL 175 Ca 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1f6b s VAL 175 Cb 0.04 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1f6b s VAL 175 CO -0.10 0.53 -0.08 -0.36 0.00 0.00 0.00 175.10 175.10 1f6b s PHE 176 N 0.47 1.05 0.29 5.22 0.40 -0.10 -4.98 117.98 120.32 1f6b s PHE 176 Ca -0.16 -0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 55.64 1f6b s PHE 176 Cb -0.17 -0.83 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 1f6b s PHE 176 CO 0.07 -0.22 0.77 -1.64 0.70 0.00 0.00 175.22 174.89 1f6b s MET 177 N 0.78 4.18 0.26 0.44 -1.94 -1.26 -1.09 119.30 120.66 1f6b s MET 177 Ca -0.13 0.85 -0.21 0.00 -1.71 0.00 0.00 55.69 54.49 1f6b s MET 177 Cb -0.15 -2.63 0.03 0.00 2.01 0.00 0.00 34.83 34.09 1f6b s MET 177 CO 0.02 0.25 0.69 0.00 -0.01 0.00 0.00 175.02 175.96 1f6b s SER 179 N -2.90 4.13 0.19 0.00 0.15 0.10 -1.93 113.70 113.44 1f6b s SER 179 Ca 0.10 -1.79 -0.12 0.00 0.70 0.00 0.00 55.95 54.84 1f6b s SER 179 Cb -0.05 -1.00 0.11 0.00 -1.71 0.00 0.00 66.02 63.37 1f6b s SER 179 CO 0.04 -0.40 1.84 0.58 1.20 0.00 0.00 173.24 176.49 1f6b h VAL 180 N 6.43 1.18 -0.83 4.45 2.07 -1.96 -1.68 116.25 125.90 1f6b h VAL 180 Ca -0.11 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.13 1f6b h VAL 180 Cb 1.01 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1f6b h VAL 180 CO 0.48 0.18 0.54 0.25 0.02 0.00 0.00 177.57 179.04 1f6b h LEU 181 N 0.87 0.70 -1.65 2.57 5.85 -1.94 -0.77 115.31 120.94 1f6b h LEU 181 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1f6b h LEU 181 Cb -0.05 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1f6b h LEU 181 CO -0.05 0.41 0.00 0.29 -0.34 0.00 0.00 178.44 178.76 1f6b n LYS 182 N -4.52 2.08 -3.57 1.25 5.02 -0.99 -4.96 118.16 112.48 1f6b n LYS 182 Ca 0.14 -1.63 -0.20 0.00 -2.02 0.00 0.00 58.31 54.61 1f6b n LYS 182 Cb 0.33 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 33.97 1f6b n LYS 182 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1f6b n ARG 183 N 0.85 -6.05 -3.83 1.97 1.74 -0.29 -5.00 116.66 106.04 1f6b n ARG 183 Ca 0.17 0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 57.87 1f6b n ARG 183 Cb 0.45 -5.60 -0.15 0.00 -1.02 0.00 0.00 32.46 26.15 1f6b n ARG 183 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1f6b s GLN 184 N -5.73 0.00 0.00 5.56 -0.21 -0.71 -4.92 119.66 113.65 1f6b s GLN 184 Ca 0.08 0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1f6b s GLN 184 Cb -0.04 -0.08 0.00 0.00 1.00 0.00 0.00 33.01 33.90 1f6b s GLN 184 CO 0.77 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 174.29 1f6b n GLY 185 N 3.45 2.76 0.14 3.09 0.00 -1.26 -0.72 105.19 112.65 1f6b n GLY 185 Ca -0.17 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.86 1f6b n GLY 185 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1f6b h TYR 186 N 0.00 0.00 -0.50 1.61 -0.00 -1.90 -3.23 116.97 112.94 1f6b h TYR 186 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 1f6b h TYR 186 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 1f6b h TYR 186 CO 0.00 0.52 0.31 0.78 -0.00 0.00 0.00 178.16 179.77 1f6b h GLY 187 N 3.10 0.71 0.92 0.10 0.00 -1.89 -0.38 103.07 105.63 1f6b h GLY 187 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1f6b h GLY 187 CO 0.07 0.21 0.64 -2.09 0.00 0.00 0.00 176.54 175.37 1f6b h GLU 188 N 0.63 1.22 -0.27 4.80 4.81 -1.88 -0.80 114.58 123.09 1f6b h GLU 188 Ca 0.20 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1f6b h GLU 188 Cb -0.01 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1f6b h GLU 188 CO -0.08 0.81 0.10 0.78 -0.73 0.00 0.00 179.01 179.90 1f6b h GLY 189 N 1.26 0.45 1.04 1.92 0.00 -1.34 -2.28 103.07 104.12 1f6b h GLY 189 Ca 0.38 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 1f6b h GLY 189 CO -0.11 0.23 0.29 0.74 0.00 0.00 0.00 176.54 177.69 1f6b h PHE 190 N 0.29 1.14 -0.27 5.60 -1.00 -0.64 -1.95 116.94 120.11 1f6b h PHE 190 Ca 0.09 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1f6b h PHE 190 Cb 0.20 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 1f6b h PHE 190 CO -0.00 0.87 0.02 0.00 -1.61 0.00 0.00 178.31 177.59 1f6b h ARG 191 N 1.07 0.39 -0.03 1.51 3.08 -1.02 0.16 114.38 119.54 1f6b h ARG 191 Ca 0.25 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1f6b h ARG 191 Cb 0.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1f6b h ARG 191 CO -0.02 0.40 -0.00 2.35 -1.07 0.00 0.00 179.97 181.63 1f6b h TRP 192 N 0.38 0.05 -0.38 3.04 7.01 -0.90 -3.16 115.95 121.99 1f6b h TRP 192 Ca 0.09 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 1f6b h TRP 192 Cb 0.22 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1f6b h TRP 192 CO 0.01 0.36 -0.02 1.98 -2.79 0.00 0.00 178.44 177.98 1f6b h MET 193 N -0.27 0.62 -0.53 2.65 4.05 -0.90 -3.12 114.93 117.44 1f6b h MET 193 Ca 0.01 -0.15 0.15 0.00 -0.28 0.00 0.00 59.70 59.43 1f6b h MET 193 Cb 0.34 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1f6b h MET 193 CO 0.00 0.65 0.41 0.00 0.23 0.00 0.00 176.91 178.20 1f6b h ALA 194 N 1.40 2.45 0.00 0.39 0.00 -0.66 -0.02 119.26 122.82 1f6b h ALA 194 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f6b h ALA 194 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1f6b h ALA 194 CO 0.02 -0.68 0.00 -0.56 0.00 0.00 0.00 179.25 178.03 1f6b h GLN 195 N 0.00 0.00 -0.52 0.00 3.07 -1.63 -1.11 115.11 114.93 1f6b h GLN 195 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 1f6b h GLN 195 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.62 1f6b h GLN 195 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1f6b n TYR 196 N -2.87 1.01 -4.65 0.06 4.02 -0.02 -4.93 117.16 109.78 1f6b n TYR 196 Ca -0.01 -0.59 -0.33 0.00 -0.01 0.00 0.00 57.90 56.96 1f6b n TYR 196 Cb 0.17 -0.14 -0.13 0.00 -0.02 0.00 0.00 39.34 39.21 1f6b n TYR 196 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1f6b s ILE 197 N -1.56 3.41 0.00 -0.72 -1.09 -0.42 -4.95 121.20 115.87 1f6b s ILE 197 Ca 0.41 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1f6b s ILE 197 Cb 0.25 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.69 1f6b s ILE 197 CO 0.21 0.53 0.00 -0.67 -1.23 0.00 0.00 174.94 173.78