#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8i h PRO 11 N 0.00 0.00 -3.25 0.00 0.13 -1.89 -3.43 132.00 123.56 2f8i h PRO 11 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2f8i h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2f8i h PRO 11 CO 0.00 0.00 -0.73 -1.17 -0.23 0.00 0.00 178.00 175.87 2f8i s LEU 12 N -4.86 0.14 0.05 1.56 2.96 -1.26 -0.35 118.68 116.93 2f8i s LEU 12 Ca 0.07 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 2f8i s LEU 12 Cb 0.10 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 2f8i s LEU 12 CO 0.52 -0.26 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.84 2f8i s MET 13 N 2.18 0.82 -0.04 1.98 -2.45 -0.09 -4.44 119.30 117.25 2f8i s MET 13 Ca 0.05 -0.84 0.04 0.00 -1.25 0.00 0.00 55.69 53.69 2f8i s MET 13 Cb -0.12 -0.80 -0.00 0.00 1.25 0.00 0.00 34.83 35.15 2f8i s MET 13 CO -0.04 0.19 -0.17 0.08 1.05 0.00 0.00 175.02 176.12 2f8i s VAL 14 N -1.09 1.44 -0.06 10.11 1.01 -0.75 -0.92 120.40 130.14 2f8i s VAL 14 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2f8i s VAL 14 Cb -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2f8i s VAL 14 CO 0.02 0.41 -0.16 -0.75 0.00 0.00 0.00 175.10 174.63 2f8i s LYS 15 N 0.02 1.84 -0.05 2.72 2.47 -0.06 -0.70 119.74 125.99 2f8i s LYS 15 Ca -0.04 -0.55 0.02 0.00 -1.56 0.00 0.00 55.97 53.85 2f8i s LYS 15 Cb -0.11 -1.54 0.01 0.00 -1.46 0.00 0.00 37.83 34.73 2f8i s LYS 15 CO 0.02 0.15 -0.10 0.08 0.16 0.00 0.00 175.35 175.66 2f8i s VAL 16 N 0.32 0.91 0.23 4.02 1.01 0.19 -0.93 120.40 126.15 2f8i s VAL 16 Ca -0.10 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.62 2f8i s VAL 16 Cb -0.14 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 2f8i s VAL 16 CO 0.03 0.30 -0.17 -0.76 0.00 0.00 0.00 175.10 174.50 2f8i s LEU 17 N 0.57 2.67 -0.28 3.92 1.43 0.26 -0.85 118.68 126.40 2f8i s LEU 17 Ca -0.10 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 2f8i s LEU 17 Cb -0.13 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2f8i s LEU 17 CO 0.02 0.07 0.01 -0.62 0.23 0.00 0.00 176.35 176.06 2f8i s ASP 18 N -3.15 4.76 0.00 2.29 3.68 0.39 -1.04 116.67 123.61 2f8i s ASP 18 Ca 0.26 -0.84 0.29 0.00 2.13 0.00 0.00 52.55 54.39 2f8i s ASP 18 Cb -0.07 -1.77 1.18 0.00 -1.45 0.00 0.00 42.92 40.81 2f8i s ASP 18 CO 0.14 -0.17 1.89 0.00 0.13 0.00 0.00 175.17 177.16 2f8i n ALA 19 N 4.76 2.42 0.03 3.66 0.00 -0.09 -1.25 120.51 130.04 2f8i n ALA 19 Ca -0.15 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 2f8i n ALA 19 Cb 0.47 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 2f8i n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2f8i h VAL 20 N 0.00 0.94 0.00 0.00 2.07 -1.94 -3.39 116.25 113.92 2f8i h VAL 20 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2f8i h VAL 20 Cb 0.50 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2f8i h VAL 20 CO 0.00 0.79 -1.26 0.54 0.02 0.00 0.00 177.57 177.66 2f8i n ARG 21 N -3.73 0.37 -2.91 1.57 1.74 -1.23 -5.01 116.66 107.47 2f8i n ARG 21 Ca -0.26 -0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 56.65 2f8i n ARG 21 Cb 0.99 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 31.02 2f8i n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f8i n GLY 22 N 1.43 -0.19 3.43 -0.13 0.00 -0.38 -5.03 105.19 104.32 2f8i n GLY 22 Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2f8i n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f8i s SER 23 N -3.78 -0.09 0.65 1.61 1.04 -1.10 -5.01 113.70 107.02 2f8i s SER 23 Ca 0.07 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.62 2f8i s SER 23 Cb -0.01 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2f8i s SER 23 CO 0.50 -0.97 1.24 -2.16 0.98 0.00 0.00 173.24 172.83 2f8i s PRO 24 N -3.93 2.57 -0.49 4.02 0.04 -1.26 -0.46 135.00 135.50 2f8i s PRO 24 Ca 0.14 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 2f8i s PRO 24 Cb 0.01 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.73 2f8i s PRO 24 CO -0.01 -1.54 0.67 0.00 0.04 0.00 0.00 177.00 176.16 2f8i s ALA 25 N -1.61 3.34 0.07 8.56 0.00 -0.03 -4.54 121.76 127.55 2f8i s ALA 25 Ca 0.79 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2f8i s ALA 25 Cb -0.33 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2f8i s ALA 25 CO 0.39 -1.97 0.39 0.42 0.00 0.00 0.00 175.76 174.99 2f8i s ILE 26 N 2.86 5.11 -1.54 0.00 1.01 -1.26 -4.29 121.20 123.09 2f8i s ILE 26 Ca 0.20 0.43 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 2f8i s ILE 26 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2f8i s ILE 26 CO 0.15 0.30 0.47 0.59 0.00 0.00 0.00 174.94 176.46 2f8i n ASN 27 N 0.95 -5.93 -4.69 3.58 5.03 -0.05 -4.94 115.26 109.22 2f8i n ASN 27 Ca -0.08 -0.23 -0.42 0.00 0.87 0.00 0.00 54.58 54.72 2f8i n ASN 27 Cb 0.52 -4.78 -0.03 0.00 -1.02 0.00 0.00 39.78 34.46 2f8i n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2f8i s VAL 28 N -3.13 4.86 0.27 2.41 1.01 -1.26 -4.75 120.40 119.81 2f8i s VAL 28 Ca 0.23 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 2f8i s VAL 28 Cb -0.10 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 2f8i s VAL 28 CO 0.29 0.05 1.05 0.00 0.00 0.00 0.00 175.10 176.49 2f8i s ALA 29 N 1.86 3.38 -0.05 5.51 0.00 -1.26 -1.22 121.76 129.98 2f8i s ALA 29 Ca 0.43 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2f8i s ALA 29 Cb -0.18 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2f8i s ALA 29 CO 0.16 -0.05 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 2f8i s VAL 30 N -1.18 0.44 -0.10 0.00 1.01 0.32 -0.84 120.40 120.05 2f8i s VAL 30 Ca 0.44 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2f8i s VAL 30 Cb -0.30 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2f8i s VAL 30 CO 0.38 0.23 -0.17 -1.00 0.00 0.00 0.00 175.10 174.54 2f8i s HIS 31 N 1.26 2.70 -0.10 5.22 3.76 -0.29 -1.12 115.29 126.71 2f8i s HIS 31 Ca -0.06 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2f8i s HIS 31 Cb -0.14 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 2f8i s HIS 31 CO -0.02 -0.18 -0.12 0.08 -0.85 0.00 0.00 174.74 173.66 2f8i s VAL 32 N 0.09 3.21 0.24 -0.90 1.01 0.24 -0.29 120.40 123.99 2f8i s VAL 32 Ca -0.07 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.39 2f8i s VAL 32 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2f8i s VAL 32 CO 0.05 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.12 2f8i s PHE 33 N -0.06 2.25 -0.04 5.22 0.40 0.69 -0.37 117.98 126.07 2f8i s PHE 33 Ca -0.02 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 2f8i s PHE 33 Cb -0.14 -1.04 -0.00 0.00 0.51 0.00 0.00 43.02 42.35 2f8i s PHE 33 CO 0.04 0.60 -0.14 0.50 0.70 0.00 0.00 175.22 176.92 2f8i s ARG 34 N -3.15 1.48 -0.00 0.44 3.52 0.36 -0.99 118.95 120.61 2f8i s ARG 34 Ca 0.25 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2f8i s ARG 34 Cb -0.06 -1.31 -0.06 0.00 -1.56 0.00 0.00 34.95 31.96 2f8i s ARG 34 CO 0.12 0.19 1.43 0.21 -0.81 0.00 0.00 175.30 176.45 2f8i s LYS 35 N 0.10 4.27 0.72 5.12 2.20 -0.05 -1.04 119.74 131.06 2f8i s LYS 35 Ca -0.04 2.00 -0.08 0.00 -0.36 0.00 0.00 55.97 57.49 2f8i s LYS 35 Cb -0.10 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.67 2f8i s LYS 35 CO 0.02 -0.61 1.05 0.00 -0.36 0.00 0.00 175.35 175.44 2f8i s ALA 36 N 2.56 3.04 0.32 3.13 0.00 0.50 -4.70 121.76 126.61 2f8i s ALA 36 Ca 0.65 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2f8i s ALA 36 Cb -0.32 -2.70 0.61 0.00 0.00 0.00 0.00 23.12 20.71 2f8i s ALA 36 CO 0.27 -1.35 1.90 0.00 0.00 0.00 0.00 175.76 176.58 2f8i h ALA 37 N -0.68 1.59 -0.13 0.00 0.00 -1.95 0.21 119.26 118.30 2f8i h ALA 37 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2f8i h ALA 37 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2f8i h ALA 37 CO 0.62 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 2f8i n ASP 38 N -4.51 0.85 -1.08 0.00 5.68 -1.26 -4.90 116.55 111.33 2f8i n ASP 38 Ca 0.15 -2.02 -0.11 0.00 -0.50 0.00 0.00 54.79 52.31 2f8i n ASP 38 Cb 0.27 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 2f8i n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2f8i n ASP 39 N -0.08 -3.92 -4.91 -1.12 2.03 0.06 -5.04 116.55 103.58 2f8i n ASP 39 Ca 0.05 0.11 -0.29 0.00 0.52 0.00 0.00 54.79 55.18 2f8i n ASP 39 Cb 0.15 -2.82 -0.03 0.00 -0.72 0.00 0.00 41.12 37.69 2f8i n ASP 39 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2f8i s THR 40 N -2.49 5.09 -0.68 5.18 2.01 -1.26 -4.83 115.64 118.66 2f8i s THR 40 Ca 0.00 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.70 2f8i s THR 40 Cb 0.00 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.84 2f8i s THR 40 CO 0.00 -0.22 1.12 0.26 -0.69 0.00 0.00 174.62 175.09 2f8i s TRP 41 N -1.95 2.50 0.19 4.92 0.52 -1.26 -0.37 118.94 123.49 2f8i s TRP 41 Ca 0.42 -0.21 -0.27 0.00 0.02 0.00 0.00 56.10 56.06 2f8i s TRP 41 Cb -0.11 -4.44 -0.08 0.00 -1.15 0.00 0.00 33.47 27.69 2f8i s TRP 41 CO 0.28 -1.81 0.84 -1.21 0.02 0.00 0.00 176.95 175.07 2f8i s GLU 42 N 4.88 4.68 0.33 4.98 2.02 -0.21 -4.84 118.70 130.53 2f8i s GLU 42 Ca 0.30 1.29 -0.29 0.00 0.02 0.00 0.00 54.97 56.29 2f8i s GLU 42 Cb -0.12 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 30.73 2f8i s GLU 42 CO 0.14 0.53 1.49 -1.25 0.02 0.00 0.00 175.26 176.20 2f8i s PRO 43 N -1.09 4.16 0.00 0.39 0.04 -1.26 -0.49 135.00 136.75 2f8i s PRO 43 Ca 0.38 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2f8i s PRO 43 Cb -0.24 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2f8i s PRO 43 CO 0.28 -0.51 0.00 0.34 0.04 0.00 0.00 177.00 177.16 2f8i n PHE 44 N 1.27 0.00 -3.60 0.56 7.35 0.50 -4.74 117.46 118.80 2f8i n PHE 44 Ca 0.04 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.67 2f8i n PHE 44 Cb 0.39 0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.21 2f8i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2f8i s ALA 45 N -1.99 -1.80 0.18 3.13 0.00 -0.83 -5.00 121.76 115.46 2f8i s ALA 45 Ca 0.00 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 2f8i s ALA 45 Cb 0.00 0.47 0.04 0.00 0.00 0.00 0.00 23.12 23.63 2f8i s ALA 45 CO 0.00 -0.82 0.54 -1.54 0.00 0.00 0.00 175.76 173.94 2f8i s SER 46 N -2.65 -0.34 0.00 0.00 1.04 -1.26 0.80 113.70 111.29 2f8i s SER 46 Ca 0.08 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2f8i s SER 46 Cb -0.01 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.73 2f8i s SER 46 CO -0.05 -1.02 0.57 0.61 0.98 0.00 0.00 173.24 174.33 2f8i n GLY 47 N -0.34 0.51 3.17 7.32 0.00 -0.28 -4.96 105.19 110.61 2f8i n GLY 47 Ca -0.12 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 2f8i n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f8i s LYS 48 N -2.01 1.04 0.50 1.61 1.02 -1.26 -0.52 119.74 120.11 2f8i s LYS 48 Ca 0.13 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 55.09 2f8i s LYS 48 Cb -0.00 -1.07 -0.06 0.00 -0.52 0.00 0.00 37.83 36.17 2f8i s LYS 48 CO 0.00 0.27 1.26 0.95 -0.92 0.00 0.00 175.35 176.91 2f8i s THR 49 N -0.85 2.60 0.52 2.17 -4.23 -0.35 -4.72 115.64 110.77 2f8i s THR 49 Ca 0.03 0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.91 2f8i s THR 49 Cb -0.08 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.65 2f8i s THR 49 CO 0.01 -0.00 0.71 -1.54 -0.54 0.00 0.00 174.62 173.26 2f8i n SER 50 N -0.71 0.08 0.20 3.99 3.41 0.05 -0.87 113.62 119.78 2f8i n SER 50 Ca 0.09 -1.27 0.14 0.00 -0.26 0.00 0.00 58.87 57.57 2f8i n SER 50 Cb 0.46 -0.54 0.66 0.00 -0.26 0.00 0.00 64.21 64.54 2f8i n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f8i h GLU 51 N 0.00 0.00 -0.37 4.33 4.39 -1.94 0.66 114.58 121.66 2f8i h GLU 51 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2f8i h GLU 51 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2f8i h GLU 51 CO 0.16 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.88 2f8i n SER 52 N -2.55 2.45 -0.17 1.42 3.41 -1.26 -4.78 113.62 112.13 2f8i n SER 52 Ca 0.00 -1.91 -0.02 0.00 -0.26 0.00 0.00 58.87 56.68 2f8i n SER 52 Cb 0.18 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 2f8i n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f8i n GLY 53 N 1.27 0.55 3.67 5.00 0.00 0.22 -4.77 105.19 111.13 2f8i n GLY 53 Ca 0.17 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2f8i n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f8i s GLU 54 N -1.34 2.63 -0.16 1.61 2.02 -1.26 -0.63 118.70 121.56 2f8i s GLU 54 Ca 0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 2f8i s GLU 54 Cb 0.00 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.69 2f8i s GLU 54 CO 0.00 0.58 -0.05 -1.17 0.02 0.00 0.00 175.26 174.65 2f8i s LEU 55 N -1.87 1.57 0.45 1.80 2.96 0.12 -0.77 118.68 122.95 2f8i s LEU 55 Ca 0.22 -0.66 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2f8i s LEU 55 Cb -0.12 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2f8i s LEU 55 CO 0.13 -0.19 0.18 -1.00 -1.32 0.00 0.00 176.35 174.15 2f8i s HIS 56 N 1.65 2.30 -0.67 5.38 3.76 -1.26 -1.81 115.29 124.64 2f8i s HIS 56 Ca 0.01 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2f8i s HIS 56 Cb -0.15 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.66 2f8i s HIS 56 CO -0.08 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 2f8i n GLY 57 N -1.31 0.59 0.20 -2.22 0.00 -1.26 -4.91 105.19 96.27 2f8i n GLY 57 Ca -0.05 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 2f8i n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2f8i h LEU 58 N 0.00 0.74 -8.28 0.99 3.38 -1.88 -3.48 115.31 106.78 2f8i h LEU 58 Ca -0.15 -0.50 -0.16 0.00 0.09 0.00 0.00 57.88 57.15 2f8i h LEU 58 Cb 0.71 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2f8i h LEU 58 CO 0.20 1.28 0.05 0.28 0.09 0.00 0.00 178.44 180.34 2f8i s THR 59 N -3.62 0.00 0.29 0.22 -1.32 -1.26 -4.79 115.64 105.15 2f8i s THR 59 Ca -0.08 -1.30 0.12 0.00 -1.21 0.00 0.00 61.69 59.21 2f8i s THR 59 Cb 0.09 -2.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.20 2f8i s THR 59 CO 0.88 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 173.54 2f8i s THR 60 N -2.53 2.55 0.25 5.08 -4.23 -1.26 -4.65 115.64 110.85 2f8i s THR 60 Ca 0.23 -2.34 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 2f8i s THR 60 Cb -0.03 -2.39 0.23 0.00 1.34 0.00 0.00 72.50 71.65 2f8i s THR 60 CO 0.17 -0.38 1.80 1.05 -0.54 0.00 0.00 174.62 176.72 2f8i h GLU 61 N 2.21 0.73 -0.42 3.99 -0.00 -2.00 -0.83 114.58 118.26 2f8i h GLU 61 Ca -0.41 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2f8i h GLU 61 Cb 1.26 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 29.82 2f8i h GLU 61 CO 0.61 0.49 0.25 0.93 -0.00 0.00 0.00 179.01 181.29 2f8i h GLU 62 N 0.76 0.57 0.00 1.06 5.08 -2.03 -3.16 114.58 116.85 2f8i h GLU 62 Ca 0.42 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 2f8i h GLU 62 Cb 0.46 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2f8i h GLU 62 CO -0.28 0.42 -0.22 0.93 -1.00 0.00 0.00 179.01 178.85 2f8i h GLU 63 N 0.55 0.00 -3.77 2.33 5.08 -1.87 -3.39 114.58 113.52 2f8i h GLU 63 Ca 0.15 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.76 2f8i h GLU 63 Cb -0.01 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.09 2f8i h GLU 63 CO -0.03 0.11 1.93 0.34 -1.00 0.00 0.00 179.01 180.36 2f8i n PHE 64 N -3.08 3.35 -2.14 4.33 7.35 -0.36 -4.94 117.46 121.97 2f8i n PHE 64 Ca 0.03 -2.90 -0.27 0.00 -0.76 0.00 0.00 57.45 53.55 2f8i n PHE 64 Cb 0.58 -2.01 0.17 0.00 0.35 0.00 0.00 39.48 38.57 2f8i n PHE 64 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2f8i n VAL 65 N 3.64 0.00 -1.64 -2.13 0.24 -1.26 -4.94 118.33 112.24 2f8i n VAL 65 Ca 0.40 -1.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.13 2f8i n VAL 65 Cb 0.38 -1.31 0.02 0.00 -1.47 0.00 0.00 33.84 31.45 2f8i n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2f8i n GLU 66 N -3.45 1.43 0.00 7.34 1.02 -1.26 -4.79 120.64 120.94 2f8i n GLU 66 Ca 0.16 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2f8i n GLU 66 Cb 0.57 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 2f8i n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f8i n GLY 67 N 1.10 -0.90 3.63 0.62 0.00 -0.99 -5.00 105.19 103.65 2f8i n GLY 67 Ca 0.09 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 2f8i n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f8i s ILE 68 N -2.00 5.25 0.07 -0.61 1.01 -1.26 -0.66 121.20 123.00 2f8i s ILE 68 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.87 2f8i s ILE 68 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2f8i s ILE 68 CO 0.00 0.33 -0.17 -0.31 0.00 0.00 0.00 174.94 174.79 2f8i s TYR 69 N 1.20 2.58 -0.16 3.97 2.02 0.54 -0.87 117.35 126.63 2f8i s TYR 69 Ca 0.07 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2f8i s TYR 69 Cb -0.14 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2f8i s TYR 69 CO 0.06 0.33 -0.13 0.21 -1.57 0.00 0.00 175.55 174.44 2f8i s LYS 70 N -1.78 2.24 -0.35 -0.62 2.20 -0.16 -1.07 119.74 120.21 2f8i s LYS 70 Ca 0.17 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 55.03 2f8i s LYS 70 Cb -0.11 -2.19 0.01 0.00 -1.51 0.00 0.00 37.83 34.03 2f8i s LYS 70 CO 0.08 -0.29 0.20 0.08 -0.36 0.00 0.00 175.35 175.06 2f8i s VAL 71 N 1.46 4.73 -0.23 4.02 1.01 0.65 -0.22 120.40 131.82 2f8i s VAL 71 Ca 0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2f8i s VAL 71 Cb -0.14 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2f8i s VAL 71 CO -0.10 -0.08 0.05 -0.70 0.00 0.00 0.00 175.10 174.26 2f8i s GLU 72 N 1.61 3.66 -0.24 2.72 2.12 0.60 -0.53 118.70 128.64 2f8i s GLU 72 Ca 0.04 -0.48 -0.07 0.00 0.36 0.00 0.00 54.97 54.82 2f8i s GLU 72 Cb -0.18 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2f8i s GLU 72 CO 0.07 -0.12 0.06 0.42 -0.54 0.00 0.00 175.26 175.16 2f8i s ILE 73 N 1.39 4.29 -1.42 -3.70 1.01 0.93 -1.14 121.20 122.57 2f8i s ILE 73 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2f8i s ILE 73 Cb -0.15 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.39 2f8i s ILE 73 CO 0.03 0.36 2.13 0.47 0.00 0.00 0.00 174.94 177.93 2f8i n ASP 74 N 4.72 4.17 -0.18 3.58 10.43 -0.02 -1.32 116.55 137.93 2f8i n ASP 74 Ca -0.16 -2.89 -0.02 0.00 2.57 0.00 0.00 54.79 54.28 2f8i n ASP 74 Cb 0.52 -1.63 0.19 0.00 1.84 0.00 0.00 41.12 42.03 2f8i n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2f8i h THR 75 N 4.07 1.22 -0.05 -3.53 1.35 -1.86 -2.23 112.91 111.88 2f8i h THR 75 Ca 0.53 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2f8i h THR 75 Cb 0.66 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2f8i h THR 75 CO 1.81 0.28 0.01 0.50 -0.25 0.00 0.00 175.52 177.87 2f8i h LYS 76 N 0.92 0.07 -0.85 4.72 3.64 -1.70 -1.30 116.57 122.06 2f8i h LYS 76 Ca 0.22 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 2f8i h LYS 76 Cb 0.17 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 2f8i h LYS 76 CO -0.02 0.25 0.55 0.77 -2.27 0.00 0.00 179.45 178.73 2f8i h SER 77 N -0.12 0.74 0.43 4.20 0.02 -1.79 0.29 113.55 117.32 2f8i h SER 77 Ca 0.01 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2f8i h SER 77 Cb 0.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2f8i h SER 77 CO -0.00 0.43 -0.21 0.22 -1.14 0.00 0.00 176.83 176.13 2f8i h TYR 78 N 0.81 -0.54 -0.77 3.45 5.03 -0.86 0.79 116.97 124.88 2f8i h TYR 78 Ca 0.40 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.65 2f8i h TYR 78 Cb 0.44 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.86 2f8i h TYR 78 CO -0.00 -0.26 0.30 -1.49 -1.32 0.00 0.00 178.16 175.39 2f8i h TRP 79 N -0.74 1.17 -0.50 -3.82 4.06 -0.89 -2.67 115.95 112.56 2f8i h TRP 79 Ca -0.06 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 60.70 2f8i h TRP 79 Cb 0.52 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 2f8i h TRP 79 CO -0.01 0.89 -0.08 0.87 -3.56 0.00 0.00 178.44 176.55 2f8i h LYS 80 N 1.12 0.91 0.00 0.49 1.57 -0.32 -1.59 116.57 118.76 2f8i h LYS 80 Ca 0.26 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f8i h LYS 80 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2f8i h LYS 80 CO -0.02 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.81 2f8i h ALA 81 N 1.09 1.00 -0.55 3.86 0.00 -0.62 0.05 119.26 124.09 2f8i h ALA 81 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2f8i h ALA 81 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2f8i h ALA 81 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2f8i n LEU 82 N -3.07 3.32 0.00 0.00 4.77 -0.65 -4.96 117.00 116.40 2f8i n LEU 82 Ca -0.01 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 2f8i n LEU 82 Cb 0.19 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2f8i n LEU 82 CO 0.24 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2f8i n GLY 83 N 1.49 0.47 3.45 -0.72 0.00 0.01 -5.05 105.19 104.84 2f8i n GLY 83 Ca 0.21 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 2f8i n GLY 83 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f8i s ILE 84 N -2.00 1.93 -0.43 -0.61 -4.36 -0.87 -5.00 121.20 109.85 2f8i s ILE 84 Ca 0.00 -2.20 -0.12 0.00 -0.26 0.00 0.00 60.65 58.07 2f8i s ILE 84 Cb 0.00 -2.41 0.07 0.00 1.25 0.00 0.00 42.46 41.37 2f8i s ILE 84 CO 0.00 -0.34 0.30 -0.94 0.24 0.00 0.00 174.94 174.20 2f8i s SER 85 N -3.47 5.83 0.77 4.36 1.04 -1.26 -2.98 113.70 117.98 2f8i s SER 85 Ca 0.29 -1.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.27 2f8i s SER 85 Cb 0.01 -2.06 0.13 0.00 0.10 0.00 0.00 66.02 64.20 2f8i s SER 85 CO 0.13 -0.56 1.06 -2.16 0.98 0.00 0.00 173.24 172.69 2f8i s PRO 86 N 1.51 1.58 -0.11 4.02 0.04 -1.26 -5.05 135.00 135.73 2f8i s PRO 86 Ca 0.03 -0.76 -0.10 0.00 0.04 0.00 0.00 61.00 60.21 2f8i s PRO 86 Cb -0.23 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 2f8i s PRO 86 CO 0.04 -1.60 0.31 0.35 0.04 0.00 0.00 177.00 176.14 2f8i h PHE 87 N -0.78 -0.04 -4.13 0.56 3.57 -1.51 -3.47 116.94 111.14 2f8i h PHE 87 Ca -0.40 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.63 2f8i h PHE 87 Cb 1.27 0.01 0.01 0.00 2.79 0.00 0.00 35.95 40.03 2f8i h PHE 87 CO -0.30 0.29 0.36 -1.01 -2.23 0.00 0.00 178.31 175.43 2f8i s HIS 88 N -1.95 3.27 0.14 0.41 3.76 -1.26 -4.97 115.29 114.69 2f8i s HIS 88 Ca -0.07 1.54 -0.06 0.00 -0.15 0.00 0.00 55.06 56.32 2f8i s HIS 88 Cb -0.01 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 2f8i s HIS 88 CO 0.24 -0.44 1.37 0.93 -0.85 0.00 0.00 174.74 175.99 2f8i h GLU 89 N 1.32 0.58 -2.00 1.40 4.39 -1.98 -3.36 114.58 114.92 2f8i h GLU 89 Ca -0.48 -0.48 0.24 0.00 0.34 0.00 0.00 59.36 58.99 2f8i h GLU 89 Cb 1.19 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.86 2f8i h GLU 89 CO 0.60 1.10 0.66 -3.38 -1.16 0.00 0.00 179.01 176.84 2f8i s HIS 90 N -3.67 -0.06 -0.18 4.33 -3.43 -1.26 -3.09 115.29 107.93 2f8i s HIS 90 Ca -0.08 -0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 53.99 2f8i s HIS 90 Cb 0.10 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 2f8i s HIS 90 CO 0.87 -0.59 -0.09 0.00 -2.00 0.00 0.00 174.74 172.93 2f8i s ALA 91 N -2.71 2.69 0.01 -1.38 0.00 -0.44 -4.88 121.76 115.04 2f8i s ALA 91 Ca 0.15 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2f8i s ALA 91 Cb 0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2f8i s ALA 91 CO 0.00 -0.14 -0.07 -1.21 0.00 0.00 0.00 175.76 174.34 2f8i s GLU 92 N 0.99 2.54 -0.16 0.00 2.02 -1.26 -0.05 118.70 122.78 2f8i s GLU 92 Ca -0.01 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 2f8i s GLU 92 Cb -0.15 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.62 2f8i s GLU 92 CO -0.01 0.60 -0.06 0.08 0.02 0.00 0.00 175.26 175.89 2f8i s VAL 93 N -1.01 1.14 -0.12 2.63 1.01 0.31 -4.98 120.40 119.39 2f8i s VAL 93 Ca 0.17 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2f8i s VAL 93 Cb -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2f8i s VAL 93 CO 0.08 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.45 2f8i s VAL 94 N 1.63 2.23 -0.04 2.92 1.01 -1.26 -0.25 120.40 126.63 2f8i s VAL 94 Ca 0.01 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2f8i s VAL 94 Cb -0.15 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2f8i s VAL 94 CO -0.08 0.55 0.52 0.72 0.00 0.00 0.00 175.10 176.81 2f8i s PHE 95 N 0.49 -0.45 0.11 5.22 -0.71 -0.23 -4.98 117.98 117.42 2f8i s PHE 95 Ca -0.14 0.78 -0.30 0.00 -1.04 0.00 0.00 56.93 56.22 2f8i s PHE 95 Cb -0.17 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.85 2f8i s PHE 95 CO 0.05 -0.50 1.00 0.99 -1.34 0.00 0.00 175.22 175.42 2f8i s THR 96 N -1.18 4.41 0.03 -4.49 2.01 -1.26 -0.34 115.64 114.82 2f8i s THR 96 Ca -0.12 1.97 0.08 0.00 0.31 0.00 0.00 61.69 63.93 2f8i s THR 96 Cb -0.02 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 2f8i s THR 96 CO 0.07 0.28 -0.22 0.00 -0.69 0.00 0.00 174.62 174.06 2f8i s ALA 97 N 0.12 1.88 -1.31 7.40 0.00 0.16 -4.82 121.76 125.18 2f8i s ALA 97 Ca 0.48 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2f8i s ALA 97 Cb -0.24 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2f8i s ALA 97 CO 0.30 0.43 0.00 0.09 0.00 0.00 0.00 175.76 176.59 2f8i n ASN 98 N 1.97 -4.43 0.00 0.00 3.02 -1.26 -2.34 115.26 112.22 2f8i n ASN 98 Ca -0.17 0.18 0.14 0.00 -0.03 0.00 0.00 54.58 54.70 2f8i n ASN 98 Cb 0.53 -3.34 0.63 0.00 -0.61 0.00 0.00 39.78 36.99 2f8i n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2f8i n ASP 99 N -0.36 0.00 -2.52 6.41 4.64 -1.26 -2.74 116.55 120.73 2f8i n ASP 99 Ca -0.15 0.42 -0.20 0.00 -1.38 0.00 0.00 54.79 53.49 2f8i n ASP 99 Cb 0.52 -0.47 0.01 0.00 -1.04 0.00 0.00 41.12 40.14 2f8i n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2f8i n SER 100 N -1.47 3.60 0.00 1.67 7.64 -1.26 -5.10 113.62 118.69 2f8i n SER 100 Ca 0.08 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.61 2f8i n SER 100 Cb 0.32 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2f8i n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f8i n GLY 101 N -0.37 -1.21 3.75 0.23 0.00 -1.11 -4.96 105.19 101.53 2f8i n GLY 101 Ca 0.29 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2f8i n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2f8i s PRO 102 N -1.79 4.12 0.21 1.61 0.02 -1.26 -4.30 135.00 133.61 2f8i s PRO 102 Ca 0.00 2.57 0.04 0.00 0.02 0.00 0.00 61.00 63.63 2f8i s PRO 102 Cb 0.00 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 2f8i s PRO 102 CO 0.00 -0.61 -0.03 1.03 -0.33 0.00 0.00 177.00 177.06 2f8i s ARG 103 N -0.75 1.25 -0.19 5.54 1.81 -1.26 -4.92 118.95 120.43 2f8i s ARG 103 Ca 0.62 -1.61 -0.09 0.00 -1.72 0.00 0.00 55.73 52.92 2f8i s ARG 103 Cb -0.47 -0.59 -0.05 0.00 -0.45 0.00 0.00 34.95 33.39 2f8i s ARG 103 CO 0.50 -0.06 0.10 0.50 -0.68 0.00 0.00 175.30 175.67 2f8i s ARG 104 N -3.84 4.09 -0.12 3.54 3.52 -0.48 -4.85 118.95 120.81 2f8i s ARG 104 Ca 0.25 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 2f8i s ARG 104 Cb 0.05 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2f8i s ARG 104 CO 0.06 0.30 -0.21 0.71 -0.81 0.00 0.00 175.30 175.36 2f8i s TYR 105 N 0.33 2.65 -0.21 5.12 1.51 0.52 -1.37 117.35 125.89 2f8i s TYR 105 Ca 0.06 -1.05 -0.04 0.00 -1.01 0.00 0.00 57.07 55.04 2f8i s TYR 105 Cb -0.11 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2f8i s TYR 105 CO -0.01 -0.44 -0.05 0.99 -1.11 0.00 0.00 175.55 174.93 2f8i s THR 106 N 0.51 3.37 -0.32 -0.71 2.01 0.09 -0.92 115.64 119.67 2f8i s THR 106 Ca -0.13 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 2f8i s THR 106 Cb -0.17 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2f8i s THR 106 CO 0.05 0.43 0.20 -0.63 -0.69 0.00 0.00 174.62 173.98 2f8i s ILE 107 N 1.38 5.09 -0.02 1.82 -1.09 -0.09 -1.03 121.20 127.26 2f8i s ILE 107 Ca 0.05 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 2f8i s ILE 107 Cb -0.14 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2f8i s ILE 107 CO -0.03 0.07 -0.05 0.00 -1.23 0.00 0.00 174.94 173.71 2f8i s ALA 108 N 1.70 3.08 0.01 9.38 0.00 -0.13 -0.88 121.76 134.92 2f8i s ALA 108 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2f8i s ALA 108 Cb -0.17 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 2f8i s ALA 108 CO 0.09 0.61 -0.03 0.00 0.00 0.00 0.00 175.76 176.44 2f8i s ALA 109 N -0.97 0.19 -0.14 0.00 0.00 -0.11 -1.32 121.76 119.41 2f8i s ALA 109 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2f8i s ALA 109 Cb -0.11 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2f8i s ALA 109 CO 0.07 -0.01 -0.19 -1.17 0.00 0.00 0.00 175.76 174.47 2f8i s LEU 110 N -0.47 1.93 -0.08 0.00 2.96 0.33 -0.57 118.68 122.78 2f8i s LEU 110 Ca -0.04 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2f8i s LEU 110 Cb -0.03 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 2f8i s LEU 110 CO -0.00 0.03 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.16 2f8i s LEU 111 N 1.01 2.74 0.15 -0.68 1.43 -0.21 -1.53 118.68 121.60 2f8i s LEU 111 Ca -0.04 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2f8i s LEU 111 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2f8i s LEU 111 CO -0.04 0.28 -0.05 -0.44 0.23 0.00 0.00 176.35 176.33 2f8i s SER 112 N -0.34 1.41 0.45 2.29 0.01 0.14 -0.91 113.70 116.74 2f8i s SER 112 Ca 0.03 -1.09 0.15 0.00 1.31 0.00 0.00 55.95 56.36 2f8i s SER 112 Cb -0.13 0.07 1.08 0.00 0.21 0.00 0.00 66.02 67.25 2f8i s SER 112 CO 0.02 -0.47 1.99 -0.65 0.41 0.00 0.00 173.24 174.55 2f8i h PRO 113 N 2.77 0.34 -0.18 12.44 0.11 -1.99 -2.90 132.00 142.59 2f8i h PRO 113 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2f8i h PRO 113 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2f8i h PRO 113 CO 0.64 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.31 2f8i n TYR 114 N -4.46 0.44 -3.60 0.65 4.02 -1.26 -1.19 117.16 111.76 2f8i n TYR 114 Ca 0.09 -0.74 -0.16 0.00 -0.01 0.00 0.00 57.90 57.08 2f8i n TYR 114 Cb 0.38 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.47 2f8i n TYR 114 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2f8i s SER 115 N -1.73 -0.67 0.11 7.72 0.01 -1.10 -4.97 113.70 113.07 2f8i s SER 115 Ca 0.27 1.04 -0.06 0.00 1.31 0.00 0.00 55.95 58.51 2f8i s SER 115 Cb 0.21 0.98 -0.02 0.00 0.21 0.00 0.00 66.02 67.41 2f8i s SER 115 CO 0.08 -0.41 0.16 -0.72 0.41 0.00 0.00 173.24 172.76 2f8i s TYR 116 N -0.37 0.39 0.01 2.43 -0.85 -1.26 -0.69 117.35 117.00 2f8i s TYR 116 Ca -0.05 -0.81 0.03 0.00 -0.52 0.00 0.00 57.07 55.71 2f8i s TYR 116 Cb -0.03 -0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 2f8i s TYR 116 CO 0.05 -0.56 -0.08 0.45 -1.52 0.00 0.00 175.55 173.89 2f8i s SER 117 N -2.93 0.97 0.02 -0.18 0.15 -0.58 -4.98 113.70 106.17 2f8i s SER 117 Ca 0.11 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.52 2f8i s SER 117 Cb 0.05 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 2f8i s SER 117 CO -0.06 0.03 -0.05 0.28 1.20 0.00 0.00 173.24 174.64 2f8i s THR 118 N -0.49 0.32 0.06 6.45 -1.32 -1.26 -0.51 115.64 118.88 2f8i s THR 118 Ca 0.00 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2f8i s THR 118 Cb -0.05 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 2f8i s THR 118 CO 0.00 -0.21 -0.04 0.28 -2.21 0.00 0.00 174.62 172.44 2f8i s THR 119 N -0.82 0.33 -0.05 5.08 -1.32 -0.43 -5.00 115.64 113.43 2f8i s THR 119 Ca -0.06 -1.71 0.06 0.00 -1.21 0.00 0.00 61.69 58.77 2f8i s THR 119 Cb -0.06 -1.39 -0.01 0.00 -1.51 0.00 0.00 72.50 69.53 2f8i s THR 119 CO -0.00 -0.89 -0.24 0.00 -2.21 0.00 0.00 174.62 171.27 2f8i s ALA 120 N -3.49 2.20 -0.19 11.08 0.00 -1.26 -0.95 121.76 129.15 2f8i s ALA 120 Ca 0.05 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2f8i s ALA 120 Cb 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2f8i s ALA 120 CO -0.07 0.45 -0.12 0.08 0.00 0.00 0.00 175.76 176.10 2f8i s VAL 121 N -0.31 2.78 -0.15 0.00 1.01 -0.20 -4.99 120.40 118.55 2f8i s VAL 121 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2f8i s VAL 121 Cb -0.13 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2f8i s VAL 121 CO 0.02 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 2f8i s VAL 122 N 1.22 2.05 0.23 2.92 1.01 -1.26 -0.73 120.40 125.83 2f8i s VAL 122 Ca 0.02 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.13 2f8i s VAL 122 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2f8i s VAL 122 CO -0.05 0.54 -0.15 0.42 0.00 0.00 0.00 175.10 175.86 2f8i s THR 123 N 0.98 1.89 0.00 3.92 -4.23 -0.48 -4.97 115.64 112.75 2f8i s THR 123 Ca -0.03 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 2f8i s THR 123 Cb -0.15 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2f8i s THR 123 CO -0.06 -0.52 0.00 -0.46 -0.54 0.00 0.00 174.62 173.04