#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f86 n PRO 11 N 0.00 0.20 -3.81 0.00 -0.04 -1.26 -4.70 135.00 125.39 1f86 n PRO 11 Ca 0.00 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 1f86 n PRO 11 Cb 0.00 -1.78 -0.17 0.00 -0.04 0.00 0.00 33.50 31.51 1f86 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1f86 s LEU 12 N -4.27 0.67 0.03 1.53 2.96 -1.26 -0.43 118.68 117.91 1f86 s LEU 12 Ca 0.09 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 1f86 s LEU 12 Cb 0.12 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 1f86 s LEU 12 CO 0.50 -0.18 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.87 1f86 s MET 13 N 1.82 1.11 -0.05 1.98 -2.45 -0.46 -4.43 119.30 116.82 1f86 s MET 13 Ca 0.02 -0.79 0.05 0.00 -1.25 0.00 0.00 55.69 53.72 1f86 s MET 13 Cb -0.13 -1.15 -0.01 0.00 1.25 0.00 0.00 34.83 34.80 1f86 s MET 13 CO -0.04 0.29 -0.20 0.08 1.05 0.00 0.00 175.02 176.20 1f86 s VAL 14 N -0.77 1.62 -0.06 10.11 1.01 -0.97 -0.82 120.40 130.52 1f86 s VAL 14 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1f86 s VAL 14 Cb -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1f86 s VAL 14 CO 0.01 0.46 -0.13 -0.75 0.00 0.00 0.00 175.10 174.70 1f86 s LYS 15 N -0.01 1.68 -0.07 2.72 2.20 -0.14 -0.68 119.74 125.44 1f86 s LYS 15 Ca -0.04 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1f86 s LYS 15 Cb -0.12 -1.40 0.02 0.00 -1.51 0.00 0.00 37.83 34.81 1f86 s LYS 15 CO 0.03 0.06 -0.10 0.08 -0.36 0.00 0.00 175.35 175.06 1f86 s VAL 16 N 0.56 1.00 0.16 4.02 1.01 0.35 -0.99 120.40 126.52 1f86 s VAL 16 Ca -0.13 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1f86 s VAL 16 Cb -0.15 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1f86 s VAL 16 CO 0.03 0.34 -0.23 -0.76 0.00 0.00 0.00 175.10 174.48 1f86 s LEU 17 N 0.96 2.39 -0.30 3.92 1.43 -0.11 -1.25 118.68 125.73 1f86 s LEU 17 Ca -0.09 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.14 1f86 s LEU 17 Cb -0.15 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.03 1f86 s LEU 17 CO 0.00 0.09 0.05 -0.62 0.23 0.00 0.00 176.35 176.11 1f86 s ASP 18 N -2.44 5.01 0.00 2.29 -1.08 0.52 -0.77 116.67 120.21 1f86 s ASP 18 Ca 0.16 -0.97 0.29 0.00 -0.52 0.00 0.00 52.55 51.51 1f86 s ASP 18 Cb -0.08 -1.81 1.18 0.00 -1.46 0.00 0.00 42.92 40.74 1f86 s ASP 18 CO 0.08 -0.24 1.87 0.00 0.52 0.00 0.00 175.17 177.40 1f86 n ALA 19 N 4.78 2.53 0.09 3.66 0.00 -0.20 -0.86 120.51 130.51 1f86 n ALA 19 Ca -0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1f86 n ALA 19 Cb 0.46 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 1f86 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1f86 h VAL 20 N 0.03 1.26 0.00 0.00 2.07 -1.94 -3.39 116.25 114.28 1f86 h VAL 20 Ca 0.00 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1f86 h VAL 20 Cb 0.46 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1f86 h VAL 20 CO 0.00 0.78 -1.03 0.54 0.02 0.00 0.00 177.57 177.88 1f86 n ARG 21 N -3.83 1.10 -2.76 1.57 1.74 -1.22 -5.01 116.66 108.24 1f86 n ARG 21 Ca -0.18 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.77 1f86 n ARG 21 Cb 1.00 -1.34 0.04 0.00 -1.02 0.00 0.00 32.46 31.14 1f86 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f86 n GLY 22 N 1.43 0.07 3.28 -0.13 0.00 -0.04 -5.04 105.19 104.75 1f86 n GLY 22 Ca 0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1f86 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f86 s SER 23 N -3.59 0.08 0.67 1.61 1.04 -1.04 -5.00 113.70 107.47 1f86 s SER 23 Ca 0.05 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 1f86 s SER 23 Cb -0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1f86 s SER 23 CO 0.36 -0.82 1.27 -0.81 0.98 0.00 0.00 173.24 174.23 1f86 n PRO 24 N -0.15 0.96 -3.14 4.02 -0.04 -1.26 -0.35 135.00 135.04 1f86 n PRO 24 Ca -0.10 0.39 -0.44 0.00 -0.04 0.00 0.00 63.50 63.31 1f86 n PRO 24 Cb 0.63 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1f86 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f86 s ALA 25 N -1.50 3.37 0.05 0.55 0.00 -0.38 -4.56 121.76 119.29 1f86 s ALA 25 Ca 0.81 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1f86 s ALA 25 Cb -0.37 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1f86 s ALA 25 CO 0.42 -2.03 0.39 0.42 0.00 0.00 0.00 175.76 174.96 1f86 s ILE 26 N 2.71 5.09 -1.33 0.00 1.01 -1.26 -4.32 121.20 123.10 1f86 s ILE 26 Ca 0.16 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 1f86 s ILE 26 Cb -0.19 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1f86 s ILE 26 CO 0.12 0.37 0.41 0.59 0.00 0.00 0.00 174.94 176.44 1f86 n ASN 27 N 1.18 -5.31 -4.72 3.58 3.02 -0.19 -4.94 115.26 107.89 1f86 n ASN 27 Ca -0.10 -0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 53.87 1f86 n ASN 27 Cb 0.52 -4.19 -0.05 0.00 -0.61 0.00 0.00 39.78 35.45 1f86 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f86 s VAL 28 N -3.03 5.11 0.10 2.41 1.01 -1.26 -4.75 120.40 119.98 1f86 s VAL 28 Ca 0.20 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1f86 s VAL 28 Cb -0.09 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1f86 s VAL 28 CO 0.25 0.28 1.08 0.00 0.00 0.00 0.00 175.10 176.72 1f86 s ALA 29 N 0.76 3.31 -0.07 5.51 0.00 -1.26 -0.89 121.76 129.11 1f86 s ALA 29 Ca 0.32 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1f86 s ALA 29 Cb -0.17 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1f86 s ALA 29 CO 0.14 -0.25 -0.10 0.08 0.00 0.00 0.00 175.76 175.63 1f86 s VAL 30 N 0.44 1.03 -0.07 0.00 1.01 -0.34 -0.90 120.40 121.57 1f86 s VAL 30 Ca 0.52 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1f86 s VAL 30 Cb -0.27 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1f86 s VAL 30 CO 0.31 0.34 -0.24 -1.00 0.00 0.00 0.00 175.10 174.51 1f86 s HIS 31 N 0.94 2.50 -0.09 5.22 3.76 -0.25 -1.27 115.29 126.10 1f86 s HIS 31 Ca -0.10 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 1f86 s HIS 31 Cb -0.15 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 1f86 s HIS 31 CO 0.00 -0.29 -0.09 0.08 -0.85 0.00 0.00 174.74 173.59 1f86 s VAL 32 N 0.03 3.46 0.09 -0.90 1.01 0.90 0.02 120.40 125.02 1f86 s VAL 32 Ca -0.09 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1f86 s VAL 32 Cb -0.15 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1f86 s VAL 32 CO 0.06 0.57 -0.18 -0.36 0.00 0.00 0.00 175.10 175.18 1f86 s PHE 33 N -0.37 1.55 -0.07 5.22 0.08 0.27 -0.68 117.98 123.98 1f86 s PHE 33 Ca 0.05 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.70 1f86 s PHE 33 Cb -0.12 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 1f86 s PHE 33 CO 0.02 0.15 -0.21 0.50 -0.10 0.00 0.00 175.22 175.58 1f86 s ARG 34 N -1.93 2.69 0.00 0.44 3.52 0.12 -0.93 118.95 122.86 1f86 s ARG 34 Ca 0.04 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 1f86 s ARG 34 Cb -0.10 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 1f86 s ARG 34 CO 0.04 0.39 1.29 0.21 -0.81 0.00 0.00 175.30 176.41 1f86 s LYS 35 N -0.16 4.34 0.64 5.12 2.20 -0.04 -1.49 119.74 130.35 1f86 s LYS 35 Ca -0.03 1.83 -0.08 0.00 -0.36 0.00 0.00 55.97 57.34 1f86 s LYS 35 Cb -0.14 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1f86 s LYS 35 CO 0.04 -0.45 0.98 0.00 -0.36 0.00 0.00 175.35 175.56 1f86 s ALA 36 N 1.93 3.14 0.35 3.13 0.00 0.09 -4.76 121.76 125.66 1f86 s ALA 36 Ca 0.60 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 52.05 1f86 s ALA 36 Cb -0.29 -2.75 0.83 0.00 0.00 0.00 0.00 23.12 20.91 1f86 s ALA 36 CO 0.26 -0.97 1.86 0.00 0.00 0.00 0.00 175.76 176.91 1f86 h ALA 37 N -0.38 1.84 -0.10 0.00 0.00 -1.95 -1.11 119.26 117.56 1f86 h ALA 37 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1f86 h ALA 37 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1f86 h ALA 37 CO 0.62 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 1f86 n ASP 38 N -4.57 0.64 -0.61 0.00 5.75 -1.26 -4.90 116.55 111.59 1f86 n ASP 38 Ca 0.18 -2.01 -0.08 0.00 -0.01 0.00 0.00 54.79 52.87 1f86 n ASP 38 Cb 0.49 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 1f86 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1f86 n ASP 39 N -0.18 -4.35 -4.95 -1.12 10.43 -0.42 -5.03 116.55 110.93 1f86 n ASP 39 Ca 0.03 0.20 -0.23 0.00 2.57 0.00 0.00 54.79 57.36 1f86 n ASP 39 Cb 0.11 -2.56 -0.00 0.00 1.84 0.00 0.00 41.12 40.51 1f86 n ASP 39 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1f86 s THR 40 N -2.16 4.67 -0.25 -3.53 -4.23 -1.26 -4.82 115.64 104.06 1f86 s THR 40 Ca 0.00 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.84 1f86 s THR 40 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1f86 s THR 40 CO 0.00 -0.46 0.45 0.26 -0.54 0.00 0.00 174.62 174.33 1f86 s TRP 41 N -2.39 3.28 -0.14 3.99 0.52 -1.26 -0.73 118.94 122.22 1f86 s TRP 41 Ca 0.43 0.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.11 1f86 s TRP 41 Cb -0.10 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.56 1f86 s TRP 41 CO 0.36 -0.21 -0.09 -1.21 0.02 0.00 0.00 176.95 175.83 1f86 s GLU 42 N 2.03 3.47 0.22 4.98 2.02 -0.56 -4.91 118.70 125.95 1f86 s GLU 42 Ca 0.19 -0.61 -0.31 0.00 0.02 0.00 0.00 54.97 54.27 1f86 s GLU 42 Cb -0.16 -2.75 -0.15 0.00 0.10 0.00 0.00 34.13 31.18 1f86 s GLU 42 CO 0.09 0.26 1.15 -2.30 0.02 0.00 0.00 175.26 174.48 1f86 n PRO 43 N 3.44 1.38 0.00 0.39 -0.02 -1.26 -0.71 135.00 138.22 1f86 n PRO 43 Ca -0.18 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1f86 n PRO 43 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1f86 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1f86 n PHE 44 N 1.14 0.00 -3.56 6.00 7.35 0.14 -4.76 117.46 123.77 1f86 n PHE 44 Ca 0.13 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.73 1f86 n PHE 44 Cb 0.28 0.06 -0.02 0.00 0.35 0.00 0.00 39.48 40.16 1f86 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1f86 s ALA 45 N -1.97 -1.62 0.21 3.13 0.00 -1.04 -5.01 121.76 115.46 1f86 s ALA 45 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 1f86 s ALA 45 Cb 0.00 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1f86 s ALA 45 CO 0.00 -0.82 0.80 -1.54 0.00 0.00 0.00 175.76 174.19 1f86 s SER 46 N -2.71 -0.27 -0.01 0.00 1.04 -1.26 -0.07 113.70 110.41 1f86 s SER 46 Ca 0.05 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 1f86 s SER 46 Cb -0.02 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1f86 s SER 46 CO -0.07 -1.11 0.14 0.61 0.98 0.00 0.00 173.24 173.80 1f86 n GLY 47 N -0.44 0.47 3.28 7.32 0.00 -0.40 -4.98 105.19 110.45 1f86 n GLY 47 Ca -0.06 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1f86 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f86 s LYS 48 N -2.00 1.79 0.58 1.61 -0.14 -1.26 -1.19 119.74 119.13 1f86 s LYS 48 Ca 0.03 -0.92 -0.20 0.00 -1.36 0.00 0.00 55.97 53.52 1f86 s LYS 48 Cb -0.00 -1.82 -0.04 0.00 -1.68 0.00 0.00 37.83 34.29 1f86 s LYS 48 CO -0.00 0.49 1.27 0.95 -0.76 0.00 0.00 175.35 177.30 1f86 s THR 49 N -0.65 2.35 0.76 2.17 -4.23 -0.07 -4.78 115.64 111.19 1f86 s THR 49 Ca 0.09 0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.71 1f86 s THR 49 Cb -0.09 -3.11 0.17 0.00 1.34 0.00 0.00 72.50 70.82 1f86 s THR 49 CO 0.00 -0.03 1.02 -1.54 -0.54 0.00 0.00 174.62 173.54 1f86 n SER 50 N -1.38 0.06 0.32 3.99 3.41 0.18 -1.02 113.62 119.18 1f86 n SER 50 Ca 0.13 -1.37 0.20 0.00 -0.26 0.00 0.00 58.87 57.57 1f86 n SER 50 Cb 0.48 -0.78 1.11 0.00 -0.26 0.00 0.00 64.21 64.75 1f86 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1f86 h GLU 51 N 0.00 0.00 -0.46 4.33 4.39 -1.94 0.29 114.58 121.19 1f86 h GLU 51 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1f86 h GLU 51 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1f86 h GLU 51 CO 0.23 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 1f86 n SER 52 N -3.32 2.88 -0.06 1.42 3.41 -1.26 -4.79 113.62 111.90 1f86 n SER 52 Ca -0.03 -1.95 -0.01 0.00 -0.26 0.00 0.00 58.87 56.62 1f86 n SER 52 Cb 0.10 -0.30 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1f86 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f86 n GLY 53 N 1.37 0.47 3.59 5.00 0.00 0.09 -4.78 105.19 110.94 1f86 n GLY 53 Ca 0.18 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1f86 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f86 s GLU 54 N -1.29 2.16 -0.20 1.61 2.02 -1.26 -0.50 118.70 121.25 1f86 s GLU 54 Ca 0.00 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 1f86 s GLU 54 Cb 0.00 -2.30 0.06 0.00 0.10 0.00 0.00 34.13 31.99 1f86 s GLU 54 CO 0.00 0.49 -0.01 -1.17 0.02 0.00 0.00 175.26 174.59 1f86 s LEU 55 N -2.39 1.68 0.33 1.80 2.96 0.15 -0.64 118.68 122.56 1f86 s LEU 55 Ca 0.23 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1f86 s LEU 55 Cb -0.11 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1f86 s LEU 55 CO 0.15 -0.26 0.33 -1.00 -1.32 0.00 0.00 176.35 174.25 1f86 s HIS 56 N 1.68 2.98 0.00 5.38 3.76 -1.26 -2.29 115.29 125.53 1f86 s HIS 56 Ca -0.02 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1f86 s HIS 56 Cb -0.17 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1f86 s HIS 56 CO -0.07 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 1f86 n GLY 57 N -1.43 0.47 0.31 -2.22 0.00 -1.26 -4.94 105.19 96.12 1f86 n GLY 57 Ca -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 1f86 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1f86 h LEU 58 N 0.00 0.86 0.00 0.99 3.38 -1.86 -3.47 115.31 115.21 1f86 h LEU 58 Ca 0.00 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1f86 h LEU 58 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1f86 h LEU 58 CO 0.00 0.82 -0.03 1.07 0.09 0.00 0.00 178.44 180.39 1f86 n THR 59 N -4.27 0.00 -4.40 0.22 5.66 -1.26 -4.77 114.28 105.46 1f86 n THR 59 Ca 0.05 -1.09 -0.21 0.00 -3.05 0.00 0.00 64.05 59.75 1f86 n THR 59 Cb 0.23 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 69.63 1f86 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1f86 s THR 60 N -2.63 1.74 0.22 1.09 -4.23 -1.26 -4.55 115.64 106.03 1f86 s THR 60 Ca 0.18 -2.17 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 1f86 s THR 60 Cb -0.01 -2.31 0.17 0.00 1.34 0.00 0.00 72.50 71.69 1f86 s THR 60 CO 0.13 -0.40 1.78 -0.08 -0.54 0.00 0.00 174.62 175.50 1f86 h GLU 61 N 2.37 0.56 -0.78 3.99 4.57 -1.97 -1.99 114.58 121.34 1f86 h GLU 61 Ca -0.39 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1f86 h GLU 61 Cb 1.23 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.64 1f86 h GLU 61 CO 0.65 0.37 0.49 1.49 -1.18 0.00 0.00 179.01 180.83 1f86 h GLU 62 N 0.58 0.91 0.00 1.92 4.22 -2.05 -3.06 114.58 117.10 1f86 h GLU 62 Ca 0.34 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.61 1f86 h GLU 62 Cb 0.35 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1f86 h GLU 62 CO -0.26 0.60 -0.52 1.49 -2.18 0.00 0.00 179.01 178.13 1f86 h GLU 63 N 0.94 0.00 -3.46 1.92 4.81 -1.85 -3.41 114.58 113.53 1f86 h GLU 63 Ca 0.32 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.78 1f86 h GLU 63 Cb 0.05 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.24 1f86 h GLU 63 CO -0.13 0.52 1.56 0.34 -0.73 0.00 0.00 179.01 180.58 1f86 n PHE 64 N -3.31 3.02 -1.90 0.92 7.35 -0.79 -4.97 117.46 117.78 1f86 n PHE 64 Ca 0.01 -2.83 -0.30 0.00 -0.76 0.00 0.00 57.45 53.58 1f86 n PHE 64 Cb 0.70 -1.77 0.06 0.00 0.35 0.00 0.00 39.48 38.82 1f86 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1f86 s VAL 65 N -0.45 3.10 0.45 -2.13 -7.23 -1.26 -4.98 120.40 107.90 1f86 s VAL 65 Ca 0.37 0.35 -0.23 0.00 -1.81 0.00 0.00 61.98 60.66 1f86 s VAL 65 Cb 0.06 -3.35 -0.10 0.00 0.56 0.00 0.00 36.38 33.55 1f86 s VAL 65 CO 0.03 -0.46 0.97 -0.62 -0.31 0.00 0.00 175.10 174.71 1f86 n GLU 66 N -3.08 1.25 -3.80 4.82 1.02 -1.26 -4.86 120.64 114.73 1f86 n GLU 66 Ca 0.07 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1f86 n GLU 66 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1f86 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f86 n GLY 67 N 1.23 -2.69 3.73 0.62 0.00 -1.13 -4.97 105.19 101.98 1f86 n GLY 67 Ca 0.10 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1f86 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f86 s ILE 68 N -1.99 5.36 0.11 -0.61 1.01 -1.26 -0.52 121.20 123.30 1f86 s ILE 68 Ca 0.00 0.36 0.09 0.00 0.00 0.00 0.00 60.65 61.11 1f86 s ILE 68 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1f86 s ILE 68 CO 0.00 0.41 -0.24 -0.31 0.00 0.00 0.00 174.94 174.81 1f86 s TYR 69 N 0.42 2.04 -0.08 3.97 1.51 -0.04 -0.86 117.35 124.31 1f86 s TYR 69 Ca 0.12 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1f86 s TYR 69 Cb -0.12 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 1f86 s TYR 69 CO 0.01 0.26 -0.15 0.21 -1.11 0.00 0.00 175.55 174.77 1f86 s LYS 70 N -1.94 2.09 -0.25 -0.62 2.20 -0.11 -1.32 119.74 119.79 1f86 s LYS 70 Ca 0.10 -0.54 -0.08 0.00 -0.36 0.00 0.00 55.97 55.09 1f86 s LYS 70 Cb -0.10 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 1f86 s LYS 70 CO 0.05 0.05 0.09 0.08 -0.36 0.00 0.00 175.35 175.25 1f86 s VAL 71 N 0.65 4.43 -0.18 4.02 1.01 0.40 -0.56 120.40 130.18 1f86 s VAL 71 Ca -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1f86 s VAL 71 Cb -0.16 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1f86 s VAL 71 CO 0.04 0.33 -0.03 -1.61 0.00 0.00 0.00 175.10 173.83 1f86 s GLU 72 N 1.63 3.60 -0.19 2.72 2.02 0.10 -0.52 118.70 128.06 1f86 s GLU 72 Ca 0.06 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 1f86 s GLU 72 Cb -0.15 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1f86 s GLU 72 CO 0.05 0.10 -0.05 0.42 0.02 0.00 0.00 175.26 175.79 1f86 s ILE 73 N 0.74 3.48 -1.28 -1.63 1.01 0.20 -1.09 121.20 122.63 1f86 s ILE 73 Ca -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 1f86 s ILE 73 Cb -0.14 -2.54 0.13 0.00 0.01 0.00 0.00 42.46 39.92 1f86 s ILE 73 CO 0.02 0.46 1.71 -0.67 0.00 0.00 0.00 174.94 176.46 1f86 n ASP 74 N 4.22 4.98 0.06 3.58 4.64 -0.08 -1.13 116.55 132.81 1f86 n ASP 74 Ca -0.18 -2.99 -0.05 0.00 -1.38 0.00 0.00 54.79 50.20 1f86 n ASP 74 Cb 0.52 -1.59 0.16 0.00 -1.04 0.00 0.00 41.12 39.16 1f86 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1f86 h THR 75 N 4.51 1.33 -0.22 5.18 1.35 -1.87 -3.05 112.91 120.14 1f86 h THR 75 Ca 0.39 -1.66 -0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1f86 h THR 75 Cb 0.78 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1f86 h THR 75 CO 1.46 0.50 0.12 0.50 -0.25 0.00 0.00 175.52 177.86 1f86 h LYS 76 N 0.28 0.30 -0.57 4.72 3.64 -1.72 -1.51 116.57 121.70 1f86 h LYS 76 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1f86 h LYS 76 Cb 0.92 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1f86 h LYS 76 CO 0.08 0.27 0.12 0.77 -2.27 0.00 0.00 179.45 178.42 1f86 h SER 77 N 0.24 0.84 -0.01 4.20 0.02 -1.84 -0.52 113.55 116.49 1f86 h SER 77 Ca 0.08 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1f86 h SER 77 Cb 0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1f86 h SER 77 CO -0.01 0.84 -0.08 0.22 -1.14 0.00 0.00 176.83 176.65 1f86 h TYR 78 N 0.86 -0.20 -0.57 3.45 3.20 -1.32 -1.53 116.97 120.86 1f86 h TYR 78 Ca 0.18 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1f86 h TYR 78 Cb 0.34 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1f86 h TYR 78 CO 0.02 -0.12 -0.05 -1.49 -1.64 0.00 0.00 178.16 174.88 1f86 h TRP 79 N -0.13 1.15 -0.28 -3.82 4.06 -1.08 -2.74 115.95 113.11 1f86 h TRP 79 Ca 0.03 -0.22 -0.08 0.00 2.06 0.00 0.00 58.89 60.69 1f86 h TRP 79 Cb 0.18 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 1f86 h TRP 79 CO -0.15 1.04 -0.16 0.87 -3.56 0.00 0.00 178.44 176.48 1f86 h LYS 80 N 0.93 0.49 0.00 0.49 1.57 -0.90 -0.12 116.57 119.03 1f86 h LYS 80 Ca 0.16 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f86 h LYS 80 Cb 0.62 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1f86 h LYS 80 CO 0.04 0.64 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 1f86 h ALA 81 N 1.39 1.00 -0.11 3.86 0.00 -0.98 -1.55 119.26 122.86 1f86 h ALA 81 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1f86 h ALA 81 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1f86 h ALA 81 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1f86 n LEU 82 N -2.83 1.90 0.00 0.00 4.77 -0.77 -4.94 117.00 115.12 1f86 n LEU 82 Ca 0.03 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1f86 n LEU 82 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1f86 n LEU 82 CO 0.29 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1f86 n GLY 83 N 1.20 0.40 3.31 -0.72 0.00 -0.58 -5.04 105.19 103.76 1f86 n GLY 83 Ca 0.17 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1f86 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f86 s ILE 84 N -2.00 2.28 -0.36 -0.61 1.01 -0.13 -5.02 121.20 116.36 1f86 s ILE 84 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 1f86 s ILE 84 Cb 0.00 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.65 1f86 s ILE 84 CO 0.00 0.57 1.03 -0.55 0.00 0.00 0.00 174.94 175.99 1f86 s SER 85 N -0.29 6.79 0.30 3.58 0.15 -1.26 -3.69 113.70 119.27 1f86 s SER 85 Ca 0.01 0.78 0.08 0.00 0.70 0.00 0.00 55.95 57.51 1f86 s SER 85 Cb -0.13 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1f86 s SER 85 CO 0.02 -0.93 0.17 -2.16 1.20 0.00 0.00 173.24 171.55 1f86 s PRO 86 N 3.70 2.62 -0.17 5.44 0.04 -1.26 -4.87 135.00 140.50 1f86 s PRO 86 Ca 0.43 -1.31 -0.22 0.00 0.04 0.00 0.00 61.00 59.94 1f86 s PRO 86 Cb -0.11 -2.37 -0.23 0.00 0.04 0.00 0.00 34.50 31.83 1f86 s PRO 86 CO 0.19 0.24 0.43 0.35 0.04 0.00 0.00 177.00 178.25 1f86 h PHE 87 N 1.52 0.08 -3.97 0.56 3.57 -1.53 -3.49 116.94 113.69 1f86 h PHE 87 Ca -0.45 -0.06 -0.47 0.00 3.53 0.00 0.00 57.97 60.52 1f86 h PHE 87 Cb 1.25 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1f86 h PHE 87 CO 0.59 1.37 0.26 -1.01 -2.23 0.00 0.00 178.31 177.30 1f86 s HIS 88 N -2.35 3.37 0.10 0.41 3.76 -1.26 -4.98 115.29 114.35 1f86 s HIS 88 Ca -0.24 1.42 -0.14 0.00 -0.15 0.00 0.00 55.06 55.94 1f86 s HIS 88 Cb 0.03 -2.71 -0.11 0.00 1.11 0.00 0.00 32.58 30.90 1f86 s HIS 88 CO 0.65 -0.12 1.37 0.93 -0.85 0.00 0.00 174.74 176.73 1f86 h GLU 89 N 1.70 0.73 -2.59 1.40 4.39 -1.98 -3.37 114.58 114.86 1f86 h GLU 89 Ca -0.48 -0.45 0.13 0.00 0.34 0.00 0.00 59.36 58.89 1f86 h GLU 89 Cb 1.18 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.80 1f86 h GLU 89 CO 0.62 1.08 0.39 -3.38 -1.16 0.00 0.00 179.01 176.56 1f86 s HIS 90 N -4.14 -0.19 -0.05 4.33 -3.43 -1.26 -3.43 115.29 107.12 1f86 s HIS 90 Ca -0.12 -0.15 -0.03 0.00 -0.80 0.00 0.00 55.06 53.97 1f86 s HIS 90 Cb 0.09 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.85 1f86 s HIS 90 CO 0.85 -0.94 0.10 0.00 -2.00 0.00 0.00 174.74 172.75 1f86 s ALA 91 N -3.51 3.66 0.05 -1.38 0.00 -0.28 -4.89 121.76 115.40 1f86 s ALA 91 Ca 0.11 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1f86 s ALA 91 Cb -0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1f86 s ALA 91 CO 0.02 0.67 -0.19 -1.21 0.00 0.00 0.00 175.76 175.05 1f86 s GLU 92 N -1.46 1.25 -0.14 0.00 2.02 -1.26 -0.63 118.70 118.48 1f86 s GLU 92 Ca 0.20 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1f86 s GLU 92 Cb -0.12 -1.34 0.04 0.00 0.10 0.00 0.00 34.13 32.80 1f86 s GLU 92 CO 0.10 0.34 -0.04 0.08 0.02 0.00 0.00 175.26 175.77 1f86 s VAL 93 N -0.84 0.89 -0.14 2.63 1.01 0.32 -4.98 120.40 119.29 1f86 s VAL 93 Ca 0.06 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1f86 s VAL 93 Cb -0.09 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1f86 s VAL 93 CO 0.02 0.16 -0.22 -0.69 0.00 0.00 0.00 175.10 174.37 1f86 s VAL 94 N 1.74 2.08 0.04 2.92 1.01 -1.26 -0.45 120.40 126.48 1f86 s VAL 94 Ca 0.02 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 1f86 s VAL 94 Cb -0.14 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1f86 s VAL 94 CO -0.07 0.55 0.49 0.72 0.00 0.00 0.00 175.10 176.78 1f86 s PHE 95 N 0.76 -0.37 -0.08 5.22 -0.71 -0.43 -5.00 117.98 117.36 1f86 s PHE 95 Ca -0.08 0.40 -0.18 0.00 -1.04 0.00 0.00 56.93 56.02 1f86 s PHE 95 Cb -0.16 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 1f86 s PHE 95 CO -0.01 -0.62 0.48 0.99 -1.34 0.00 0.00 175.22 174.73 1f86 s THR 96 N -2.44 5.12 -0.14 -4.49 2.01 -1.26 -0.86 115.64 113.58 1f86 s THR 96 Ca -0.05 0.98 -0.26 0.00 0.31 0.00 0.00 61.69 62.67 1f86 s THR 96 Cb -0.01 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1f86 s THR 96 CO -0.02 0.38 0.83 0.00 -0.69 0.00 0.00 174.62 175.12 1f86 s ALA 97 N 0.25 3.46 -0.15 7.40 0.00 0.32 -4.96 121.76 128.09 1f86 s ALA 97 Ca 0.26 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1f86 s ALA 97 Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1f86 s ALA 97 CO 0.12 -0.53 -0.18 -0.80 0.00 0.00 0.00 175.76 174.37 1f86 s ASN 98 N 1.09 2.85 -0.53 0.00 0.01 -1.26 -2.83 114.94 114.27 1f86 s ASN 98 Ca 0.40 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1f86 s ASN 98 Cb -0.17 -1.30 0.50 0.00 0.41 0.00 0.00 41.25 40.69 1f86 s ASN 98 CO 0.15 0.01 1.83 -0.67 -1.51 0.00 0.00 177.10 176.91 1f86 n ASP 99 N 4.45 5.94 -0.07 -1.22 -0.08 -1.26 -4.48 116.55 119.82 1f86 n ASP 99 Ca -0.19 -3.75 -0.08 0.00 -1.51 0.00 0.00 54.79 49.26 1f86 n ASP 99 Cb 0.51 -0.82 -0.01 0.00 2.34 0.00 0.00 41.12 43.13 1f86 n ASP 99 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1f86 h SER 100 N 1.71 0.11 0.00 1.67 4.64 -2.04 -3.44 113.55 116.21 1f86 h SER 100 Ca 0.54 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1f86 h SER 100 Cb 1.44 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1f86 h SER 100 CO 1.25 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 1f86 n GLY 101 N -1.19 0.16 3.71 -0.77 0.00 -1.26 -5.13 105.19 100.72 1f86 n GLY 101 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1f86 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1f86 s PRO 102 N -0.06 4.34 -0.02 1.61 0.02 -1.26 -4.99 135.00 134.64 1f86 s PRO 102 Ca 0.00 0.51 0.19 0.00 0.02 0.00 0.00 61.00 61.72 1f86 s PRO 102 Cb 0.00 -3.45 -0.28 0.00 0.02 0.00 0.00 34.50 30.79 1f86 s PRO 102 CO 0.00 0.10 0.43 2.89 -0.33 0.00 0.00 177.00 180.10 1f86 n ARG 103 N 3.83 0.60 -5.29 5.54 1.85 -0.51 -4.78 116.66 117.90 1f86 n ARG 103 Ca -0.06 -0.16 -0.31 0.00 -1.00 0.00 0.00 57.85 56.32 1f86 n ARG 103 Cb 0.51 -1.43 -0.16 0.00 -1.05 0.00 0.00 32.46 30.33 1f86 n ARG 103 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1f86 s ARG 104 N -3.24 2.32 -0.19 2.89 3.52 0.76 -4.74 118.95 120.27 1f86 s ARG 104 Ca -0.06 -0.92 -0.02 0.00 -0.13 0.00 0.00 55.73 54.61 1f86 s ARG 104 Cb 0.12 -2.09 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1f86 s ARG 104 CO 0.77 0.47 -0.11 0.71 -0.81 0.00 0.00 175.30 176.33 1f86 s TYR 105 N -0.39 2.87 -0.19 5.12 1.51 0.43 -1.19 117.35 125.51 1f86 s TYR 105 Ca 0.03 -1.03 -0.04 0.00 -1.01 0.00 0.00 57.07 55.03 1f86 s TYR 105 Cb -0.12 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1f86 s TYR 105 CO 0.01 -0.52 -0.04 0.99 -1.11 0.00 0.00 175.55 174.88 1f86 s THR 106 N 1.13 3.53 -0.33 -0.71 2.01 0.07 -1.36 115.64 119.97 1f86 s THR 106 Ca 0.01 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 1f86 s THR 106 Cb -0.14 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1f86 s THR 106 CO -0.03 0.45 0.16 -0.63 -0.69 0.00 0.00 174.62 173.88 1f86 s ILE 107 N 1.07 4.51 0.02 1.82 -1.09 -0.00 -0.98 121.20 126.54 1f86 s ILE 107 Ca 0.01 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.86 1f86 s ILE 107 Cb -0.15 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1f86 s ILE 107 CO 0.00 -0.04 -0.10 0.00 -1.23 0.00 0.00 174.94 173.57 1f86 s ALA 108 N 1.58 2.89 -0.03 9.38 0.00 -0.42 -0.97 121.76 134.19 1f86 s ALA 108 Ca 0.03 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1f86 s ALA 108 Cb -0.18 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1f86 s ALA 108 CO 0.06 0.60 -0.03 0.00 0.00 0.00 0.00 175.76 176.39 1f86 s ALA 109 N -0.98 0.48 -0.27 0.00 0.00 -0.16 -1.48 121.76 119.35 1f86 s ALA 109 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 1f86 s ALA 109 Cb -0.11 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1f86 s ALA 109 CO 0.07 -0.00 -0.01 -1.17 0.00 0.00 0.00 175.76 174.65 1f86 s LEU 110 N 0.70 3.52 -0.18 0.00 2.96 0.07 -0.93 118.68 124.82 1f86 s LEU 110 Ca -0.08 -0.89 -0.09 0.00 -0.22 0.00 0.00 54.13 52.85 1f86 s LEU 110 Cb -0.11 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1f86 s LEU 110 CO -0.01 -0.17 0.13 -0.76 -1.32 0.00 0.00 176.35 174.23 1f86 s LEU 111 N 1.37 4.26 0.27 -0.68 1.43 0.05 -1.91 118.68 123.47 1f86 s LEU 111 Ca 0.00 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1f86 s LEU 111 Cb -0.17 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 1f86 s LEU 111 CO -0.02 0.24 0.03 -0.44 0.23 0.00 0.00 176.35 176.39 1f86 s SER 112 N 0.00 1.94 0.23 2.29 0.01 -0.25 -1.03 113.70 116.89 1f86 s SER 112 Ca 0.10 -1.29 -0.07 0.00 1.31 0.00 0.00 55.95 55.99 1f86 s SER 112 Cb -0.11 -0.00 0.22 0.00 0.21 0.00 0.00 66.02 66.33 1f86 s SER 112 CO -0.00 -0.57 1.89 -0.65 0.41 0.00 0.00 173.24 174.32 1f86 h PRO 113 N 2.34 1.22 -0.14 12.44 0.11 -1.99 -3.11 132.00 142.87 1f86 h PRO 113 Ca -0.39 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1f86 h PRO 113 Cb 1.23 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1f86 h PRO 113 CO 0.66 0.84 0.00 0.66 -0.21 0.00 0.00 178.00 179.95 1f86 n TYR 114 N -4.41 0.25 -3.75 0.65 4.02 -1.26 -1.26 117.16 111.40 1f86 n TYR 114 Ca 0.10 -0.59 -0.10 0.00 -0.01 0.00 0.00 57.90 57.30 1f86 n TYR 114 Cb 0.04 -0.08 -0.06 0.00 -0.02 0.00 0.00 39.34 39.23 1f86 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1f86 s SER 115 N -1.31 -0.10 0.05 7.72 0.15 -1.18 -4.99 113.70 114.04 1f86 s SER 115 Ca 0.16 -0.50 -0.16 0.00 0.70 0.00 0.00 55.95 56.14 1f86 s SER 115 Cb 0.11 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1f86 s SER 115 CO 0.07 -0.84 0.37 -0.72 1.20 0.00 0.00 173.24 173.32 1f86 s TYR 116 N -3.85 -0.20 -0.01 3.44 1.13 -1.26 -1.09 117.35 115.51 1f86 s TYR 116 Ca 0.06 0.11 0.08 0.00 -1.41 0.00 0.00 57.07 55.91 1f86 s TYR 116 Cb 0.03 0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 41.04 1f86 s TYR 116 CO -0.09 -0.55 -0.25 -1.12 -2.51 0.00 0.00 175.55 171.02 1f86 s SER 117 N -2.07 3.17 0.01 -0.18 0.01 -0.80 -4.98 113.70 108.86 1f86 s SER 117 Ca -0.05 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.75 1f86 s SER 117 Cb -0.01 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 1f86 s SER 117 CO -0.03 0.31 -0.05 0.28 0.41 0.00 0.00 173.24 174.16 1f86 s THR 118 N -0.67 0.34 0.07 1.44 -1.32 -1.26 -0.75 115.64 113.49 1f86 s THR 118 Ca 0.11 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1f86 s THR 118 Cb -0.10 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 1f86 s THR 118 CO -0.00 -0.05 -0.10 -0.32 -2.21 0.00 0.00 174.62 171.94 1f86 s MET 119 N -0.50 0.73 -0.09 7.08 1.75 -0.55 -5.00 119.30 122.72 1f86 s MET 119 Ca -0.02 -0.99 0.04 0.00 -1.25 0.00 0.00 55.69 53.47 1f86 s MET 119 Cb -0.04 -0.48 0.00 0.00 2.84 0.00 0.00 34.83 37.15 1f86 s MET 119 CO -0.00 0.08 -0.21 0.00 -0.65 0.00 0.00 175.02 174.24 1f86 s ALA 120 N -1.91 1.93 -0.22 4.11 0.00 -1.26 -1.30 121.76 123.11 1f86 s ALA 120 Ca -0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 1f86 s ALA 120 Cb -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1f86 s ALA 120 CO 0.00 0.26 -0.02 0.08 0.00 0.00 0.00 175.76 176.08 1f86 s VAL 121 N 0.36 3.65 -0.21 0.00 1.01 -0.15 -4.98 120.40 120.07 1f86 s VAL 121 Ca -0.16 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1f86 s VAL 121 Cb -0.17 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1f86 s VAL 121 CO 0.07 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.75 1f86 s VAL 122 N 1.33 2.02 0.25 2.92 1.01 -1.26 -0.75 120.40 125.91 1f86 s VAL 122 Ca 0.04 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.82 1f86 s VAL 122 Cb -0.14 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1f86 s VAL 122 CO -0.01 0.26 0.12 0.42 0.00 0.00 0.00 175.10 175.89 1f86 s THR 123 N 1.24 0.36 0.00 3.92 -4.23 -0.33 -4.92 115.64 111.67 1f86 s THR 123 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1f86 s THR 123 Cb -0.16 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1f86 s THR 123 CO -0.09 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.58