#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9m s GLU 11 N 0.00 3.73 0.02 0.03 2.02 -1.26 -5.04 118.70 118.20 1f9m s GLU 11 Ca 0.00 1.40 -0.24 0.00 0.02 0.00 0.00 54.97 56.15 1f9m s GLU 11 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1f9m s GLU 11 CO 0.00 -0.50 0.72 0.00 0.02 0.00 0.00 175.26 175.50 1f9m s ALA 12 N -1.96 3.39 -0.11 5.21 0.00 -1.26 -4.97 121.76 122.07 1f9m s ALA 12 Ca 0.68 0.21 0.16 0.00 0.00 0.00 0.00 51.96 53.01 1f9m s ALA 12 Cb -0.17 -2.93 -0.19 0.00 0.00 0.00 0.00 23.12 19.82 1f9m s ALA 12 CO 0.21 0.07 0.63 1.51 0.00 0.00 0.00 175.76 178.18 1f9m n ILE 13 N 2.89 1.25 -1.07 0.00 3.06 -1.26 -4.95 119.36 119.28 1f9m n ILE 13 Ca -0.03 -0.73 -0.30 0.00 -2.50 0.00 0.00 62.75 59.18 1f9m n ILE 13 Cb 0.50 -0.72 0.14 0.00 0.54 0.00 0.00 39.64 40.11 1f9m n ILE 13 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1f9m s VAL 14 N -2.81 2.66 0.00 9.51 -7.23 -1.26 -3.86 120.40 117.41 1f9m s VAL 14 Ca -0.05 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1f9m s VAL 14 Cb 0.08 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1f9m s VAL 14 CO 0.82 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 1f9m n GLY 15 N -0.74 0.83 3.63 2.32 0.00 -1.24 -5.01 105.19 104.98 1f9m n GLY 15 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1f9m n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f9m s LYS 16 N -0.33 1.75 -0.21 1.61 0.00 -1.25 -4.20 119.74 117.10 1f9m s LYS 16 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 55.97 54.53 1f9m s LYS 16 Cb 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 37.83 38.29 1f9m s LYS 16 CO 0.00 -0.75 0.11 0.08 0.00 0.00 0.00 175.35 174.79 1f9m s VAL 17 N -3.57 5.11 -0.17 1.79 1.01 -1.26 -4.32 120.40 118.99 1f9m s VAL 17 Ca 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1f9m s VAL 17 Cb -0.02 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1f9m s VAL 17 CO 0.11 0.41 -0.05 -0.89 0.00 0.00 0.00 175.10 174.69 1f9m s THR 18 N 0.64 3.68 0.21 3.92 2.01 -0.66 -4.97 115.64 120.47 1f9m s THR 18 Ca 0.06 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1f9m s THR 18 Cb -0.12 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.68 1f9m s THR 18 CO 0.01 0.48 0.94 -0.70 -0.69 0.00 0.00 174.62 174.66 1f9m s GLU 19 N 0.65 4.81 0.40 4.92 2.12 -1.26 -1.82 118.70 128.53 1f9m s GLU 19 Ca -0.03 1.47 0.03 0.00 0.36 0.00 0.00 54.97 56.81 1f9m s GLU 19 Cb -0.15 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1f9m s GLU 19 CO 0.02 0.45 0.08 0.14 -0.54 0.00 0.00 175.26 175.41 1f9m s VAL 20 N -0.89 0.93 0.05 3.70 -7.23 -0.45 -4.91 120.40 111.61 1f9m s VAL 20 Ca 0.42 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1f9m s VAL 20 Cb -0.25 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1f9m s VAL 20 CO 0.31 0.00 0.05 -0.46 -0.31 0.00 0.00 175.10 174.69 1f9m n ASN 21 N -1.09 -0.13 0.29 4.85 0.23 -1.26 -4.50 115.26 113.65 1f9m n ASN 21 Ca -0.07 -1.33 0.16 0.00 -0.53 0.00 0.00 54.58 52.81 1f9m n ASN 21 Cb 0.66 0.28 0.92 0.00 -2.08 0.00 0.00 39.78 39.56 1f9m n ASN 21 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1f9m h LYS 22 N 0.00 0.00 0.00 -3.83 2.10 -1.89 -2.63 116.57 110.32 1f9m h LYS 22 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1f9m h LYS 22 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1f9m h LYS 22 CO 0.05 0.00 -1.66 -0.25 -2.00 0.00 0.00 179.45 175.60 1f9m n ASP 23 N -3.80 0.29 -0.00 7.07 8.00 -1.26 -4.54 116.55 122.31 1f9m n ASP 23 Ca -0.02 -0.10 0.09 0.00 0.71 0.00 0.00 54.79 55.46 1f9m n ASP 23 Cb 0.11 1.56 -0.12 0.00 -0.02 0.00 0.00 41.12 42.66 1f9m n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1f9m n THR 24 N -2.19 0.00 0.30 -3.53 -2.24 -1.06 -4.72 114.28 100.84 1f9m n THR 24 Ca -0.02 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1f9m n THR 24 Cb 0.53 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 1f9m n THR 24 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1f9m h PHE 25 N 0.00 -0.71 -0.95 4.78 3.57 -1.71 -3.14 116.94 118.78 1f9m h PHE 25 Ca 0.00 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1f9m h PHE 25 Cb 0.59 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 1f9m h PHE 25 CO 0.00 -0.44 0.61 -1.49 -2.23 0.00 0.00 178.31 174.76 1f9m h TRP 26 N -0.83 1.08 -0.68 0.41 4.06 -1.87 -1.40 115.95 116.73 1f9m h TRP 26 Ca -0.08 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 1f9m h TRP 26 Cb 0.58 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 1f9m h TRP 26 CO 0.08 0.53 0.34 -1.35 -3.56 0.00 0.00 178.44 174.48 1f9m h PRO 27 N 1.03 0.96 -0.49 0.49 0.11 -1.85 0.35 132.00 132.61 1f9m h PRO 27 Ca 0.43 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 1f9m h PRO 27 Cb 0.29 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1f9m h PRO 27 CO -0.18 0.73 -0.12 0.82 -0.21 0.00 0.00 178.00 179.04 1f9m h ILE 28 N 0.96 1.27 -0.43 4.15 2.04 -1.28 -1.60 117.51 122.62 1f9m h ILE 28 Ca 0.24 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1f9m h ILE 28 Cb 0.07 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1f9m h ILE 28 CO -0.03 0.43 0.22 0.58 0.00 0.00 0.00 178.15 179.35 1f9m h VAL 29 N 0.79 1.17 0.00 1.67 2.07 -0.56 -2.29 116.25 119.10 1f9m h VAL 29 Ca 0.12 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1f9m h VAL 29 Cb 0.67 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1f9m h VAL 29 CO 0.05 0.18 -0.08 0.11 0.02 0.00 0.00 177.57 177.85 1f9m h LYS 30 N 0.56 0.00 -0.25 1.57 1.57 -0.10 -2.50 116.57 117.41 1f9m h LYS 30 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1f9m h LYS 30 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1f9m h LYS 30 CO -0.02 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 1f9m n ALA 31 N -2.17 2.47 0.61 3.86 0.00 -0.62 -4.36 120.51 120.29 1f9m n ALA 31 Ca -0.01 -0.76 0.12 0.00 0.00 0.00 0.00 53.44 52.79 1f9m n ALA 31 Cb 0.27 -0.96 0.45 0.00 0.00 0.00 0.00 19.45 19.21 1f9m n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f9m n ALA 32 N 0.99 2.07 -0.67 0.00 0.00 -0.94 -4.98 120.51 116.98 1f9m n ALA 32 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1f9m n ALA 32 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1f9m n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f9m n GLY 33 N 0.88 3.11 1.22 0.00 0.00 -1.26 -2.33 105.19 106.81 1f9m n GLY 33 Ca 0.05 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1f9m n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f9m n ASP 34 N 7.33 3.91 -4.73 1.61 5.75 -1.26 -4.14 116.55 125.02 1f9m n ASP 34 Ca 0.00 -2.15 -0.40 0.00 -0.01 0.00 0.00 54.79 52.23 1f9m n ASP 34 Cb 0.00 -0.45 -0.05 0.00 -1.03 0.00 0.00 41.12 39.59 1f9m n ASP 34 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1f9m s LYS 35 N -1.28 4.49 0.68 0.11 1.02 -0.98 -4.87 119.74 118.91 1f9m s LYS 35 Ca 0.43 1.06 -0.16 0.00 0.02 0.00 0.00 55.97 57.32 1f9m s LYS 35 Cb 0.24 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1f9m s LYS 35 CO 0.26 0.19 1.18 -2.14 -0.92 0.00 0.00 175.35 173.92 1f9m s PRO 36 N 0.29 2.48 -0.11 -1.68 0.02 -1.26 -4.67 135.00 130.07 1f9m s PRO 36 Ca 0.40 1.69 0.03 0.00 0.02 0.00 0.00 61.00 63.13 1f9m s PRO 36 Cb -0.20 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1f9m s PRO 36 CO 0.22 -1.55 -0.20 0.08 -0.33 0.00 0.00 177.00 175.21 1f9m s VAL 37 N -1.98 1.87 -0.12 3.83 1.01 0.28 -1.66 120.40 123.63 1f9m s VAL 37 Ca 0.73 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1f9m s VAL 37 Cb -0.27 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1f9m s VAL 37 CO 0.42 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 175.32 1f9m s VAL 38 N 0.67 4.13 -0.18 2.92 1.01 0.73 -0.83 120.40 128.86 1f9m s VAL 38 Ca -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1f9m s VAL 38 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1f9m s VAL 38 CO 0.02 0.54 -0.18 -0.22 0.00 0.00 0.00 175.10 175.27 1f9m s LEU 39 N -0.23 2.09 -0.42 3.92 2.96 0.66 -0.57 118.68 127.08 1f9m s LEU 39 Ca 0.05 -0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 53.11 1f9m s LEU 39 Cb -0.13 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1f9m s LEU 39 CO 0.02 -0.03 0.60 -0.62 -1.32 0.00 0.00 176.35 175.00 1f9m s ASP 40 N 1.33 6.30 -0.28 3.68 -1.08 -0.16 -1.56 116.67 124.91 1f9m s ASP 40 Ca 0.04 -0.35 -0.13 0.00 -0.52 0.00 0.00 52.55 51.58 1f9m s ASP 40 Cb -0.13 -2.30 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 1f9m s ASP 40 CO -0.12 -0.71 0.30 -0.04 0.52 0.00 0.00 175.17 175.12 1f9m s MET 41 N 2.66 3.93 0.36 4.34 -1.94 0.21 -0.43 119.30 128.42 1f9m s MET 41 Ca 0.20 -0.16 0.07 0.00 -1.71 0.00 0.00 55.69 54.09 1f9m s MET 41 Cb -0.15 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 32.99 1f9m s MET 41 CO 0.17 -0.27 0.25 -0.59 -0.01 0.00 0.00 175.02 174.57 1f9m s PHE 42 N 1.94 1.79 0.23 -0.03 -0.71 -0.82 -1.94 117.98 118.45 1f9m s PHE 42 Ca 0.11 -1.60 0.01 0.00 -1.04 0.00 0.00 56.93 54.41 1f9m s PHE 42 Cb -0.16 -0.82 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 1f9m s PHE 42 CO 0.11 -0.76 0.17 0.95 -1.34 0.00 0.00 175.22 174.35 1f9m s THR 43 N -3.35 0.00 0.70 -4.49 -4.23 -1.26 -0.01 115.64 102.99 1f9m s THR 43 Ca 0.36 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 1f9m s THR 43 Cb 0.02 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.38 1f9m s THR 43 CO 0.25 0.00 1.07 -1.10 -0.54 0.00 0.00 174.62 174.30 1f9m s GLN 44 N -3.97 2.83 -2.00 3.99 -1.52 -1.26 -3.77 119.66 113.96 1f9m s GLN 44 Ca 0.39 1.01 0.00 0.00 -1.95 0.00 0.00 55.36 54.81 1f9m s GLN 44 Cb 0.06 -1.97 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 1f9m s GLN 44 CO 0.16 -1.19 0.00 0.91 -0.25 0.00 0.00 175.29 174.92 1f9m n TRP 45 N -3.15 -0.29 -3.49 0.91 5.03 -1.26 -4.96 117.44 110.23 1f9m n TRP 45 Ca 0.08 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.19 1f9m n TRP 45 Cb 0.53 -3.51 -0.10 0.00 -1.03 0.00 0.00 31.31 27.20 1f9m n TRP 45 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1f9m h GLY 47 N 8.57 -1.17 1.62 0.00 0.00 -1.94 -1.50 103.07 108.66 1f9m h GLY 47 Ca -0.28 0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.63 1f9m h GLY 47 CO 0.70 -0.34 0.22 -2.55 0.00 0.00 0.00 176.54 174.57 1f9m h PRO 48 N -0.73 0.38 -0.16 4.80 0.11 -1.95 -2.43 132.00 132.02 1f9m h PRO 48 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1f9m h PRO 48 Cb 0.67 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1f9m h PRO 48 CO -0.12 0.25 0.09 0.00 -0.21 0.00 0.00 178.00 178.01 1f9m h LYS 50 N 0.16 0.49 -0.58 0.00 1.57 -0.83 -1.01 116.57 116.37 1f9m h LYS 50 Ca 0.06 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1f9m h LYS 50 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1f9m h LYS 50 CO -0.01 0.53 -0.07 0.00 -0.57 0.00 0.00 179.45 179.33 1f9m h ALA 51 N 1.52 0.79 0.00 3.86 0.00 -1.08 -3.10 119.26 121.24 1f9m h ALA 51 Ca 0.10 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1f9m h ALA 51 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1f9m h ALA 51 CO 0.01 0.68 -0.50 0.52 0.00 0.00 0.00 179.25 179.96 1f9m h MET 52 N 0.95 0.00 -0.36 0.00 2.86 -0.84 -3.39 114.93 114.15 1f9m h MET 52 Ca 0.16 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.87 1f9m h MET 52 Cb 0.64 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.21 1f9m h MET 52 CO 0.04 0.50 -0.33 0.00 1.06 0.00 0.00 176.91 178.19 1f9m h ALA 53 N 1.50 -0.21 -1.00 6.32 0.00 -1.12 -0.70 119.26 124.04 1f9m h ALA 53 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1f9m h ALA 53 Cb 1.22 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1f9m h ALA 53 CO 0.07 -0.74 0.65 -1.35 0.00 0.00 0.00 179.25 177.88 1f9m h PRO 54 N -0.27 1.20 -0.45 0.00 0.11 -1.76 -2.28 132.00 128.55 1f9m h PRO 54 Ca 0.16 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1f9m h PRO 54 Cb 0.54 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1f9m h PRO 54 CO -0.51 0.79 -0.05 0.87 -0.21 0.00 0.00 178.00 178.89 1f9m h LYS 55 N 1.23 0.77 -0.34 1.05 1.57 -1.62 -2.73 116.57 116.50 1f9m h LYS 55 Ca 0.41 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1f9m h LYS 55 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1f9m h LYS 55 CO -0.14 0.81 -0.32 -0.92 -0.57 0.00 0.00 179.45 178.31 1f9m h TYR 56 N 0.71 0.86 -0.20 -1.35 3.20 -0.65 -2.37 116.97 117.18 1f9m h TYR 56 Ca 0.13 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1f9m h TYR 56 Cb 0.51 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1f9m h TYR 56 CO 0.03 0.97 0.08 0.93 -1.64 0.00 0.00 178.16 178.52 1f9m h GLU 57 N 0.62 0.29 -0.62 1.82 4.39 -1.29 -2.59 114.58 117.20 1f9m h GLU 57 Ca 0.07 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1f9m h GLU 57 Cb 0.85 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 1f9m h GLU 57 CO 0.07 0.36 0.41 0.87 -1.16 0.00 0.00 179.01 179.57 1f9m h LYS 58 N 0.16 0.68 -0.37 2.33 1.79 -1.39 -1.92 116.57 117.85 1f9m h LYS 58 Ca 0.07 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 1f9m h LYS 58 Cb 0.18 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1f9m h LYS 58 CO -0.01 0.45 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.54 1f9m h LEU 59 N 0.70 0.72 -1.25 2.94 3.38 -1.16 -2.53 115.31 118.11 1f9m h LEU 59 Ca 0.26 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1f9m h LEU 59 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1f9m h LEU 59 CO -0.07 0.92 -0.19 0.00 0.09 0.00 0.00 178.44 179.19 1f9m h ALA 60 N 1.14 1.38 -0.10 1.53 0.00 -0.98 -1.69 119.26 120.54 1f9m h ALA 60 Ca 0.09 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1f9m h ALA 60 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1f9m h ALA 60 CO 0.05 0.43 -0.67 0.93 0.00 0.00 0.00 179.25 179.99 1f9m h GLU 61 N 0.26 0.42 0.00 0.00 5.08 -1.11 -3.30 114.58 115.93 1f9m h GLU 61 Ca 0.05 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1f9m h GLU 61 Cb 0.49 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1f9m h GLU 61 CO 0.03 0.94 -0.93 -0.85 -1.00 0.00 0.00 179.01 177.21 1f9m n GLU 62 N -3.87 0.46 -3.87 2.33 0.28 -0.98 -4.57 120.64 110.41 1f9m n GLU 62 Ca -0.04 0.08 -0.31 0.00 -0.16 0.00 0.00 57.16 56.73 1f9m n GLU 62 Cb 0.67 -1.74 -0.12 0.00 1.43 0.00 0.00 31.44 31.68 1f9m n GLU 62 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1f9m s TYR 63 N -3.28 3.37 -0.14 -1.84 2.02 -0.66 -4.92 117.35 111.90 1f9m s TYR 63 Ca 0.02 -3.13 0.30 0.00 -0.37 0.00 0.00 57.07 53.88 1f9m s TYR 63 Cb 0.12 -2.89 1.22 0.00 -0.40 0.00 0.00 41.96 40.01 1f9m s TYR 63 CO 0.78 -0.71 1.88 -0.07 -1.57 0.00 0.00 175.55 175.85 1f9m h LEU 64 N 6.27 0.00 -2.65 -1.29 3.38 -1.80 -3.07 115.31 116.14 1f9m h LEU 64 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f9m h LEU 64 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f9m h LEU 64 CO 0.71 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.34 1f9m n ASP 65 N -2.73 4.09 -3.95 -0.43 5.75 -1.26 -4.68 116.55 113.34 1f9m n ASP 65 Ca 0.01 -2.55 -0.16 0.00 -0.01 0.00 0.00 54.79 52.08 1f9m n ASP 65 Cb 0.27 -0.59 -0.14 0.00 -1.03 0.00 0.00 41.12 39.63 1f9m n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1f9m s VAL 66 N -2.09 0.39 -0.19 2.12 1.01 -1.16 -4.18 120.40 116.30 1f9m s VAL 66 Ca 0.38 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 1f9m s VAL 66 Cb 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1f9m s VAL 66 CO 0.13 0.11 0.41 -0.63 0.00 0.00 0.00 175.10 175.13 1f9m s ILE 67 N -0.06 5.20 -0.21 2.22 1.01 -0.66 -4.69 121.20 124.00 1f9m s ILE 67 Ca 0.01 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 1f9m s ILE 67 Cb -0.03 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1f9m s ILE 67 CO -0.00 0.27 -0.01 -0.36 0.00 0.00 0.00 174.94 174.83 1f9m s PHE 68 N 1.17 3.00 0.34 3.97 0.40 -1.26 -0.20 117.98 125.40 1f9m s PHE 68 Ca 0.20 -0.68 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1f9m s PHE 68 Cb -0.15 -2.11 -0.07 0.00 0.51 0.00 0.00 43.02 41.21 1f9m s PHE 68 CO 0.08 -0.40 0.00 -0.51 0.70 0.00 0.00 175.22 175.09 1f9m s LEU 69 N 1.30 2.50 -0.02 -0.37 1.43 0.26 -1.65 118.68 122.13 1f9m s LEU 69 Ca 0.04 -1.31 -0.07 0.00 -1.03 0.00 0.00 54.13 51.76 1f9m s LEU 69 Cb -0.15 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.44 1f9m s LEU 69 CO -0.00 -0.46 0.15 -1.59 0.23 0.00 0.00 176.35 174.67 1f9m s LYS 70 N -3.78 0.40 -0.08 1.70 -2.85 -0.75 -0.99 119.74 113.40 1f9m s LYS 70 Ca 0.34 -0.22 -0.01 0.00 -1.00 0.00 0.00 55.97 55.08 1f9m s LYS 70 Cb 0.07 0.17 0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1f9m s LYS 70 CO 0.15 -0.09 -0.03 -1.17 0.10 0.00 0.00 175.35 174.31 1f9m s LEU 71 N -0.98 0.92 -0.47 2.77 2.96 0.42 -1.34 118.68 122.97 1f9m s LEU 71 Ca -0.11 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.34 1f9m s LEU 71 Cb -0.06 -0.59 0.03 0.00 0.50 0.00 0.00 46.19 46.07 1f9m s LEU 71 CO 0.01 -0.14 1.12 -0.62 -1.32 0.00 0.00 176.35 175.40 1f9m s ASP 72 N 1.71 6.64 -1.41 3.68 -1.08 -1.26 -1.95 116.67 123.00 1f9m s ASP 72 Ca 0.02 0.48 -0.15 0.00 -0.52 0.00 0.00 52.55 52.39 1f9m s ASP 72 Cb -0.13 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.82 1f9m s ASP 72 CO -0.05 -1.22 2.18 0.00 0.52 0.00 0.00 175.17 176.60 1f9m n ASN 74 N 6.34 0.34 -0.22 0.00 0.23 -1.26 -4.83 115.26 115.86 1f9m n ASN 74 Ca 0.52 -0.89 -0.08 0.00 -0.53 0.00 0.00 54.58 53.59 1f9m n ASN 74 Cb 0.40 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.14 1f9m n ASN 74 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1f9m h GLN 75 N 0.00 1.08 -0.80 -3.83 4.20 -2.00 -2.02 115.11 111.74 1f9m h GLN 75 Ca 0.00 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1f9m h GLN 75 Cb 0.00 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1f9m h GLN 75 CO 0.00 1.02 0.47 1.49 -0.67 0.00 0.00 178.83 181.14 1f9m h GLU 76 N 0.99 1.09 -0.69 1.46 4.81 -1.96 -2.90 114.58 117.38 1f9m h GLU 76 Ca 0.18 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1f9m h GLU 76 Cb 0.51 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1f9m h GLU 76 CO 0.02 0.77 0.00 0.09 -0.73 0.00 0.00 179.01 179.17 1f9m n ASN 77 N -4.37 3.87 -0.19 1.04 3.02 -1.13 -4.64 115.26 112.85 1f9m n ASN 77 Ca 0.08 -2.07 -0.02 0.00 -0.03 0.00 0.00 54.58 52.55 1f9m n ASN 77 Cb 0.08 -0.48 0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1f9m n ASN 77 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1f9m h LYS 78 N 4.04 -0.02 -0.75 3.52 3.64 -1.15 -1.48 116.57 124.37 1f9m h LYS 78 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1f9m h LYS 78 Cb 1.01 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 1f9m h LYS 78 CO 0.04 -0.01 0.41 1.79 -2.27 0.00 0.00 179.45 179.40 1f9m h THR 79 N -0.02 0.89 -0.35 1.00 1.35 -1.84 -0.79 112.91 113.15 1f9m h THR 79 Ca 0.28 -0.24 -0.15 0.00 -0.55 0.00 0.00 66.41 65.75 1f9m h THR 79 Cb 0.45 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 1f9m h THR 79 CO -0.61 0.13 -0.36 0.25 -0.25 0.00 0.00 175.52 174.67 1f9m h LEU 80 N 0.70 0.93 -0.59 3.87 5.85 -1.66 -0.20 115.31 124.20 1f9m h LEU 80 Ca 0.36 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1f9m h LEU 80 Cb 0.34 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1f9m h LEU 80 CO -0.24 1.21 0.39 0.00 -0.34 0.00 0.00 178.44 179.45 1f9m h ALA 81 N 0.75 0.76 -0.36 1.25 0.00 -0.91 -1.42 119.26 119.32 1f9m h ALA 81 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1f9m h ALA 81 Cb 0.95 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1f9m h ALA 81 CO 0.09 0.18 -0.34 -0.22 0.00 0.00 0.00 179.25 178.95 1f9m h LYS 82 N 0.79 0.88 -0.98 0.00 3.64 -1.08 -1.92 116.57 117.90 1f9m h LYS 82 Ca 0.22 -0.46 0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1f9m h LYS 82 Cb -0.08 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 1f9m h LYS 82 CO -0.05 1.10 0.63 1.49 -2.27 0.00 0.00 179.45 180.35 1f9m h GLU 83 N 0.68 1.04 -0.29 1.90 4.81 -0.71 0.24 114.58 122.25 1f9m h GLU 83 Ca 0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1f9m h GLU 83 Cb 0.93 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1f9m h GLU 83 CO 0.09 0.69 0.00 1.28 -0.73 0.00 0.00 179.01 180.34 1f9m n LEU 84 N -4.53 1.43 -3.18 1.64 4.77 -0.56 -4.95 117.00 111.62 1f9m n LEU 84 Ca 0.16 -0.72 -0.18 0.00 -0.03 0.00 0.00 56.01 55.24 1f9m n LEU 84 Cb 0.25 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1f9m n LEU 84 CO 0.31 0.34 0.16 0.61 -1.33 0.00 0.00 177.39 177.49 1f9m n GLY 85 N 0.86 -0.32 3.76 -0.72 0.00 0.07 -4.99 105.19 103.87 1f9m n GLY 85 Ca 0.09 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1f9m n GLY 85 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1f9m s ILE 86 N -3.30 2.71 0.00 -0.61 1.10 -0.76 -4.93 121.20 115.41 1f9m s ILE 86 Ca 0.29 0.57 0.00 0.00 -0.51 0.00 0.00 60.65 60.99 1f9m s ILE 86 Cb -0.13 -3.30 0.00 0.00 0.15 0.00 0.00 42.46 39.18 1f9m s ILE 86 CO 0.64 0.02 0.00 -1.14 -2.11 0.00 0.00 174.94 172.35 1f9m n ARG 87 N -0.41 0.00 -3.83 3.50 0.63 -1.26 -4.94 116.66 110.35 1f9m n ARG 87 Ca 0.07 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.88 1f9m n ARG 87 Cb 0.46 -0.21 -0.09 0.00 0.45 0.00 0.00 32.46 33.07 1f9m n ARG 87 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1f9m s VAL 88 N -1.97 0.07 0.10 5.15 0.11 -1.26 -5.17 120.40 117.42 1f9m s VAL 88 Ca 0.00 -0.59 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 1f9m s VAL 88 Cb 0.00 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1f9m s VAL 88 CO 0.00 -0.32 0.01 0.68 -3.33 0.00 0.00 175.10 172.14 1f9m s VAL 89 N -1.30 4.05 0.40 2.04 -7.23 -1.26 -3.94 120.40 113.15 1f9m s VAL 89 Ca -0.14 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.82 1f9m s VAL 89 Cb -0.07 -2.94 -0.10 0.00 0.56 0.00 0.00 36.38 33.83 1f9m s VAL 89 CO 0.02 0.09 0.90 -2.16 -0.31 0.00 0.00 175.10 173.65 1f9m s PRO 90 N -2.40 4.21 -0.01 4.82 0.04 -1.26 -4.84 135.00 135.57 1f9m s PRO 90 Ca 0.26 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.38 1f9m s PRO 90 Cb -0.11 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1f9m s PRO 90 CO 0.19 0.04 -0.14 0.99 0.04 0.00 0.00 177.00 178.12 1f9m s THR 91 N -2.09 1.09 -0.19 1.26 2.01 -0.82 -0.18 115.64 116.73 1f9m s THR 91 Ca 0.59 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1f9m s THR 91 Cb -0.10 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1f9m s THR 91 CO 0.15 0.28 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.88 1f9m s PHE 92 N -0.36 2.86 -0.12 4.92 0.40 0.49 -0.62 117.98 125.56 1f9m s PHE 92 Ca 0.05 -1.18 -0.05 0.00 -0.60 0.00 0.00 56.93 55.15 1f9m s PHE 92 Cb -0.05 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1f9m s PHE 92 CO -0.00 -0.61 0.08 0.15 0.70 0.00 0.00 175.22 175.54 1f9m s LYS 93 N 1.26 3.35 -0.10 0.44 -0.14 -0.60 -0.57 119.74 123.37 1f9m s LYS 93 Ca 0.03 -0.25 0.04 0.00 -1.36 0.00 0.00 55.97 54.42 1f9m s LYS 93 Cb -0.14 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1f9m s LYS 93 CO -0.06 0.69 -0.22 0.42 -0.76 0.00 0.00 175.35 175.42 1f9m s ILE 94 N -0.81 2.22 0.14 2.17 1.09 -0.65 -0.24 121.20 125.12 1f9m s ILE 94 Ca 0.13 -0.97 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 1f9m s ILE 94 Cb -0.12 -1.86 -0.04 0.00 -1.06 0.00 0.00 42.46 39.39 1f9m s ILE 94 CO 0.03 0.56 -0.16 -0.76 -0.10 0.00 0.00 174.94 174.51 1f9m s LEU 95 N 0.29 2.43 -0.25 2.97 1.02 -0.01 -1.44 118.68 123.69 1f9m s LEU 95 Ca -0.16 -0.84 -0.14 0.00 0.02 0.00 0.00 54.13 53.00 1f9m s LEU 95 Cb -0.17 -0.67 0.08 0.00 0.02 0.00 0.00 46.19 45.44 1f9m s LEU 95 CO 0.08 -0.10 0.62 -0.75 0.02 0.00 0.00 176.35 176.22 1f9m s LYS 96 N -2.78 0.63 -1.36 1.70 2.20 -0.21 -0.55 119.74 119.36 1f9m s LYS 96 Ca 0.12 1.13 -0.06 0.00 -0.36 0.00 0.00 55.97 56.81 1f9m s LYS 96 Cb -0.05 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1f9m s LYS 96 CO 0.05 -0.15 0.93 0.39 -0.36 0.00 0.00 175.35 176.21 1f9m n GLU 97 N 4.32 -6.02 -1.26 4.03 1.02 -1.26 -2.23 120.64 119.24 1f9m n GLU 97 Ca -0.21 0.70 -0.09 0.00 -0.02 0.00 0.00 57.16 57.54 1f9m n GLU 97 Cb 0.58 -5.53 -0.04 0.00 -0.02 0.00 0.00 31.44 26.43 1f9m n GLU 97 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1f9m n ASN 98 N -3.00 -4.87 -4.22 1.62 3.02 -1.26 -4.99 115.26 101.56 1f9m n ASN 98 Ca -0.14 0.22 -0.24 0.00 -0.03 0.00 0.00 54.58 54.39 1f9m n ASN 98 Cb 0.61 -3.17 -0.14 0.00 -0.61 0.00 0.00 39.78 36.47 1f9m n ASN 98 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1f9m s SER 99 N -2.52 2.23 -0.21 6.41 0.01 -0.95 -5.10 113.70 113.57 1f9m s SER 99 Ca 0.00 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 1f9m s SER 99 Cb 0.00 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1f9m s SER 99 CO 0.00 0.14 1.02 -0.69 0.41 0.00 0.00 173.24 174.11 1f9m s VAL 100 N -0.76 4.71 -0.16 3.43 1.01 -1.26 -1.04 120.40 126.32 1f9m s VAL 100 Ca 0.06 1.99 0.10 0.00 0.00 0.00 0.00 61.98 64.13 1f9m s VAL 100 Cb -0.08 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 1f9m s VAL 100 CO 0.01 -0.14 0.28 1.33 0.00 0.00 0.00 175.10 176.58 1f9m n VAL 101 N 5.20 0.00 -3.82 2.92 0.24 -0.52 -4.97 118.33 117.38 1f9m n VAL 101 Ca 0.11 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.34 62.11 1f9m n VAL 101 Cb 0.47 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1f9m n VAL 101 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f9m s GLY 102 N -2.76 0.06 -0.14 7.63 0.00 -1.00 -5.01 107.32 106.09 1f9m s GLY 102 Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.07 1f9m s GLY 102 CO 0.41 0.49 0.91 -1.83 0.00 0.00 0.00 173.10 173.08 1f9m s GLU 103 N -2.85 0.71 -0.09 2.90 -1.05 -1.26 -1.64 118.70 115.42 1f9m s GLU 103 Ca 0.15 0.23 -0.00 0.00 -0.15 0.00 0.00 54.97 55.20 1f9m s GLU 103 Cb -0.04 0.34 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1f9m s GLU 103 CO 0.07 -0.21 -0.06 0.08 0.95 0.00 0.00 175.26 176.08 1f9m s VAL 104 N -0.99 0.88 -0.20 1.83 1.01 0.27 -4.99 120.40 118.20 1f9m s VAL 104 Ca -0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1f9m s VAL 104 Cb -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1f9m s VAL 104 CO 0.03 0.34 0.11 -0.89 0.00 0.00 0.00 175.10 174.69 1f9m s THR 105 N 1.59 5.16 0.00 3.92 2.01 -1.26 -0.38 115.64 126.68 1f9m s THR 105 Ca 0.02 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1f9m s THR 105 Cb -0.13 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1f9m s THR 105 CO -0.06 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1f9m n GLY 106 N 3.69 0.40 2.83 4.40 0.00 0.75 -4.64 105.19 112.62 1f9m n GLY 106 Ca -0.16 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1f9m n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f9m n ALA 107 N 0.59 4.81 -3.54 4.61 0.00 -1.26 -4.79 120.51 120.92 1f9m n ALA 107 Ca 0.00 -3.53 -0.40 0.00 0.00 0.00 0.00 53.44 49.51 1f9m n ALA 107 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 15.86 1f9m n ALA 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1f9m s LYS 108 N 3.81 3.30 0.17 0.00 1.02 -1.26 -4.95 119.74 121.82 1f9m s LYS 108 Ca 0.52 -2.87 -0.15 0.00 0.02 0.00 0.00 55.97 53.50 1f9m s LYS 108 Cb 0.14 -4.10 0.12 0.00 -0.52 0.00 0.00 37.83 33.47 1f9m s LYS 108 CO -0.01 -1.24 1.74 -0.92 -0.92 0.00 0.00 175.35 174.00 1f9m h TYR 109 N 6.81 0.23 -0.41 3.18 3.20 -1.99 -1.11 116.97 126.88 1f9m h TYR 109 Ca 0.10 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1f9m h TYR 109 Cb 0.92 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1f9m h TYR 109 CO 0.80 0.07 0.24 -0.44 -1.64 0.00 0.00 178.16 177.19 1f9m h ASP 110 N 0.29 0.38 -0.59 -2.11 5.19 -1.99 -0.45 116.42 117.14 1f9m h ASP 110 Ca 0.20 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 1f9m h ASP 110 Cb 0.21 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 1f9m h ASP 110 CO -0.22 0.27 0.17 0.11 -3.12 0.00 0.00 179.24 176.45 1f9m h LYS 111 N 0.48 0.96 0.21 3.56 1.79 -1.92 -0.23 116.57 121.42 1f9m h LYS 111 Ca 0.16 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1f9m h LYS 111 Cb 0.02 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1f9m h LYS 111 CO -0.08 0.85 -0.10 1.25 -1.08 0.00 0.00 179.45 180.29 1f9m h LEU 112 N 0.93 -0.24 -0.18 2.94 5.85 -0.69 0.14 115.31 124.06 1f9m h LEU 112 Ca 0.20 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1f9m h LEU 112 Cb 0.31 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1f9m h LEU 112 CO -0.00 -0.03 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.94 1f9m h LEU 113 N -0.44 -0.20 -0.80 2.25 3.38 -0.94 -0.05 115.31 118.51 1f9m h LEU 113 Ca -0.03 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1f9m h LEU 113 Cb 0.33 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1f9m h LEU 113 CO 0.05 -0.08 0.44 -0.08 0.09 0.00 0.00 178.44 178.86 1f9m h GLU 114 N -0.02 0.70 -0.22 1.13 4.81 -0.94 -1.46 114.58 118.59 1f9m h GLU 114 Ca 0.09 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1f9m h GLU 114 Cb 0.16 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1f9m h GLU 114 CO -0.20 0.46 -0.37 0.00 -0.73 0.00 0.00 179.01 178.17 1f9m h ALA 115 N 1.46 0.95 -0.32 2.92 0.00 0.20 -1.95 119.26 122.52 1f9m h ALA 115 Ca 0.39 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1f9m h ALA 115 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1f9m h ALA 115 CO -0.27 0.62 -0.08 0.82 0.00 0.00 0.00 179.25 180.34 1f9m h ILE 116 N 0.40 1.28 -0.83 0.00 2.04 -0.17 -1.80 117.51 118.43 1f9m h ILE 116 Ca 0.04 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1f9m h ILE 116 Cb 0.84 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1f9m h ILE 116 CO 0.07 0.37 0.46 1.56 0.00 0.00 0.00 178.15 180.60 1f9m h GLN 117 N 0.41 1.16 -0.80 2.37 1.08 -1.21 -1.41 115.11 116.71 1f9m h GLN 117 Ca 0.08 -0.14 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1f9m h GLN 117 Cb 0.57 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1f9m h GLN 117 CO 0.03 0.86 0.52 0.00 -0.95 0.00 0.00 178.83 179.29 1f9m h ALA 118 N 1.24 1.03 -0.08 3.87 0.00 -1.19 -2.29 119.26 121.84 1f9m h ALA 118 Ca 0.29 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1f9m h ALA 118 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1f9m h ALA 118 CO -0.05 0.39 -0.41 0.00 0.00 0.00 0.00 179.25 179.18 1f9m h ALA 119 N 1.31 1.16 0.01 0.00 0.00 -0.74 -3.29 119.26 117.72 1f9m h ALA 119 Ca 0.30 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f9m h ALA 119 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1f9m h ALA 119 CO -0.08 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 1f9m h ARG 120 N 0.14 -0.01 0.00 0.00 3.08 -0.74 -3.45 114.38 113.39 1f9m h ARG 120 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1f9m h ARG 120 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1f9m h ARG 120 CO 0.06 0.41 0.00 -1.13 -1.07 0.00 0.00 179.97 178.24