#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n MET 7 N 0.00 0.00 0.00 -0.14 2.81 -1.26 -5.15 117.12 113.38 3f1h n MET 7 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3f1h n MET 7 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3f1h n MET 7 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3f1h n LYS 8 N -2.17 0.00 -3.15 0.03 2.85 -1.26 -4.65 118.16 109.82 3f1h n LYS 8 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 3f1h n LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 3f1h n LYS 8 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3f1h s TYR 9 N 0.00 -1.69 0.00 5.58 -0.00 -1.26 -5.16 117.35 114.82 3f1h s TYR 9 Ca 0.00 1.51 0.00 0.00 -0.00 0.00 0.00 57.07 58.58 3f1h s TYR 9 Cb 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 41.96 42.45 3f1h s TYR 9 CO 0.00 -0.95 0.00 0.54 -0.00 0.00 0.00 175.55 175.14 3f1h n ARG 10 N 5.43 0.00 -4.36 -3.49 5.12 -1.26 -4.81 116.66 113.29 3f1h n ARG 10 Ca 0.01 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 3f1h n ARG 10 Cb 0.52 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.70 3f1h n ARG 10 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3f1h s LYS 11 N 0.00 1.33 0.00 5.56 1.02 -1.26 -4.88 119.74 121.51 3f1h s LYS 11 Ca 0.00 -1.33 0.04 0.00 0.02 0.00 0.00 55.97 54.69 3f1h s LYS 11 Cb 0.00 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 3f1h s LYS 11 CO 0.00 0.39 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.56 3f1h s GLN 12 N -2.20 0.92 0.96 1.68 0.74 -1.26 -5.06 119.66 115.44 3f1h s GLN 12 Ca 0.13 -0.48 -0.12 0.00 0.05 0.00 0.00 55.36 54.95 3f1h s GLN 12 Cb -0.09 -0.89 0.09 0.00 1.10 0.00 0.00 33.01 33.22 3f1h s GLN 12 CO 0.06 0.24 0.68 1.04 -0.55 0.00 0.00 175.29 176.76 3f1h n GLN 13 N 2.62 -0.52 0.08 1.67 6.02 -1.26 -4.87 117.38 121.11 3f1h n GLN 13 Ca -0.15 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 56.65 3f1h n GLN 13 Cb 0.56 -2.05 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 3f1h n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f1h h ARG 14 N -1.77 -0.28 -2.94 -1.09 -0.00 -2.00 -3.50 114.38 102.80 3f1h h ARG 14 Ca -0.45 0.02 0.06 0.00 -0.50 0.00 0.00 59.98 59.11 3f1h h ARG 14 Cb 1.28 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 31.29 3f1h h ARG 14 CO 0.38 0.05 -0.83 0.41 0.00 0.00 0.00 179.97 179.98 3f1h n GLY 15 N 0.69 -3.70 3.79 0.04 0.00 -1.26 -4.99 105.19 99.75 3f1h n GLY 15 Ca -0.07 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 3f1h n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1h n ARG 16 N -2.69 -0.33 -2.99 1.61 0.63 -1.26 -5.04 116.66 106.59 3f1h n ARG 16 Ca -0.02 -2.53 -0.25 0.00 -0.92 0.00 0.00 57.85 54.13 3f1h n ARG 16 Cb 0.42 -0.79 -0.04 0.00 0.45 0.00 0.00 32.46 32.50 3f1h n ARG 16 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3f1h n LEU 17 N 0.00 3.80 -4.28 6.15 4.77 -1.26 -5.09 117.00 121.09 3f1h n LEU 17 Ca 0.16 -5.56 -0.28 0.00 -0.03 0.00 0.00 56.01 50.30 3f1h n LEU 17 Cb 0.57 -0.32 0.24 0.00 -2.33 0.00 0.00 43.42 41.59 3f1h n LEU 17 CO 0.39 2.35 0.16 0.29 -1.33 0.00 0.00 177.39 179.25 3f1h n LYS 18 N -0.15 -3.09 -0.49 3.23 5.02 -1.26 -4.81 118.16 116.62 3f1h n LYS 18 Ca 0.30 -0.90 -0.16 0.00 -2.02 0.00 0.00 58.31 55.53 3f1h n LYS 18 Cb 0.44 -1.88 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3f1h n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1h n GLY 19 N 1.74 -1.03 1.30 0.72 0.00 -1.26 -4.64 105.19 102.01 3f1h n GLY 19 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3f1h n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h n ALA 20 N -0.38 2.68 -1.00 4.61 0.00 -1.26 -4.67 120.51 120.48 3f1h n ALA 20 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3f1h n ALA 20 Cb 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3f1h n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f1h n THR 21 N 1.11 0.00 0.37 0.00 -2.24 -1.26 -1.76 114.28 110.50 3f1h n THR 21 Ca 0.00 0.70 0.13 0.00 -2.27 0.00 0.00 64.05 62.60 3f1h n THR 21 Cb 0.35 -1.34 0.53 0.00 -2.10 0.00 0.00 70.33 67.77 3f1h n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3f1h h LYS 22 N 0.00 0.00 -5.22 -0.78 3.11 -1.96 -3.38 116.57 108.33 3f1h h LYS 22 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3f1h h LYS 22 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3f1h h LYS 22 CO 0.00 0.00 0.01 0.41 -2.81 0.00 0.00 179.45 177.06 3f1h n GLY 23 N -0.05 -0.30 0.00 5.01 0.00 -0.72 -4.61 105.19 104.52 3f1h n GLY 23 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3f1h n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 24 N 6.50 -0.89 0.00 -0.02 0.00 -1.26 -3.51 105.19 106.01 3f1h n GLY 24 Ca 0.44 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3f1h n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f1h n ASP 25 N 3.00 0.20 -4.10 1.61 8.00 -1.22 -4.60 116.55 119.44 3f1h n ASP 25 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3f1h n ASP 25 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3f1h n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3f1h s TYR 26 N -0.36 0.78 -0.17 1.24 -0.85 -1.26 -4.84 117.35 111.88 3f1h s TYR 26 Ca 0.00 -1.08 -0.29 0.00 -0.52 0.00 0.00 57.07 55.18 3f1h s TYR 26 Cb 0.00 -0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.07 3f1h s TYR 26 CO 0.00 -0.75 1.38 0.08 -1.52 0.00 0.00 175.55 174.74 3f1h s VAL 27 N -4.08 4.07 0.00 -3.49 1.01 -1.26 -4.86 120.40 111.79 3f1h s VAL 27 Ca 0.29 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3f1h s VAL 27 Cb 0.04 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3f1h s VAL 27 CO 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 175.10 174.99 3f1h n ALA 28 N 7.07 0.00 -3.10 5.51 0.00 -1.26 -4.99 120.51 123.75 3f1h n ALA 28 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 3f1h n ALA 28 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 3f1h n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3f1h n PHE 29 N -1.19 -2.55 -0.68 0.00 3.01 -1.26 -5.08 117.46 109.72 3f1h n PHE 29 Ca 0.00 -0.74 0.08 0.00 1.01 0.00 0.00 57.45 57.80 3f1h n PHE 29 Cb 0.00 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 3f1h n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3f1h n GLY 30 N 2.57 -2.94 0.19 1.37 0.00 -1.26 -4.75 105.19 100.37 3f1h n GLY 30 Ca 0.05 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 3f1h n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f1h h ASP 31 N -0.67 0.84 -5.73 1.61 3.32 -0.78 -3.48 116.42 111.54 3f1h h ASP 31 Ca -0.09 -0.68 -0.44 0.00 0.02 0.00 0.00 57.03 55.85 3f1h h ASP 31 Cb 0.65 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 39.81 3f1h h ASP 31 CO 0.04 1.48 -0.51 -0.36 -1.72 0.00 0.00 179.24 178.16 3f1h s PHE 32 N -3.31 1.66 0.40 4.55 0.40 -0.94 -4.36 117.98 116.38 3f1h s PHE 32 Ca -0.09 -1.60 -0.15 0.00 -0.60 0.00 0.00 56.93 54.49 3f1h s PHE 32 Cb 0.07 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.95 3f1h s PHE 32 CO 0.91 -0.81 0.79 0.20 0.70 0.00 0.00 175.22 177.02 3f1h s GLY 33 N -3.35 0.46 -0.10 4.36 0.00 -0.95 -1.79 107.32 105.96 3f1h s GLY 33 Ca 0.40 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3f1h s GLY 33 CO 0.24 -0.36 -0.13 -2.27 0.00 0.00 0.00 173.10 170.59 3f1h s LEU 34 N -3.09 1.61 0.04 0.66 2.96 -0.62 -1.71 118.68 118.53 3f1h s LEU 34 Ca 0.16 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3f1h s LEU 34 Cb -0.05 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3f1h s LEU 34 CO 0.12 -0.00 -0.11 0.54 -1.32 0.00 0.00 176.35 175.58 3f1h s VAL 35 N 1.02 3.28 -0.08 1.68 0.11 0.32 -0.26 120.40 126.47 3f1h s VAL 35 Ca -0.07 -1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 57.71 3f1h s VAL 35 Cb -0.15 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 3f1h s VAL 35 CO -0.01 0.31 0.77 0.00 -3.33 0.00 0.00 175.10 172.84 3f1h s ALA 36 N -1.02 3.35 -0.40 1.54 0.00 -0.68 -1.92 121.76 122.64 3f1h s ALA 36 Ca 0.17 0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.52 3f1h s ALA 36 Cb -0.11 -3.08 0.18 0.00 0.00 0.00 0.00 23.12 20.12 3f1h s ALA 36 CO 0.08 -0.26 1.25 -0.07 0.00 0.00 0.00 175.76 176.76 3f1h h LEU 37 N 7.15 0.00 -7.99 0.00 3.38 -1.36 0.61 115.31 117.10 3f1h h LEU 37 Ca -0.38 -0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.28 3f1h h LEU 37 Cb 1.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.70 3f1h h LEU 37 CO 0.77 0.03 -0.73 -1.61 0.09 0.00 0.00 178.44 176.99 3f1h s GLU 38 N -3.27 0.36 0.48 1.13 2.02 -1.25 -4.60 118.70 113.57 3f1h s GLU 38 Ca 0.03 -0.48 -0.21 0.00 0.02 0.00 0.00 54.97 54.33 3f1h s GLU 38 Cb 0.10 -0.16 -0.08 0.00 0.10 0.00 0.00 34.13 34.09 3f1h s GLU 38 CO 0.74 0.03 1.07 -2.14 0.02 0.00 0.00 175.26 174.98 3f1h s PRO 39 N -1.00 3.78 -0.15 0.39 0.02 -1.26 -4.28 135.00 132.50 3f1h s PRO 39 Ca -0.08 1.48 -0.34 0.00 0.02 0.00 0.00 61.00 62.08 3f1h s PRO 39 Cb -0.07 -2.20 0.14 0.00 0.02 0.00 0.00 34.50 32.39 3f1h s PRO 39 CO -0.00 -0.47 1.30 0.00 -0.33 0.00 0.00 177.00 177.50 3f1h s ALA 40 N -1.83 -2.20 -0.29 -1.55 0.00 0.09 -4.99 121.76 110.99 3f1h s ALA 40 Ca 0.66 1.36 -0.20 0.00 0.00 0.00 0.00 51.96 53.78 3f1h s ALA 40 Cb -0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3f1h s ALA 40 CO 0.24 -0.76 0.61 -1.58 0.00 0.00 0.00 175.76 174.27 3f1h s TRP 41 N -2.29 3.23 -0.18 0.00 0.51 -1.26 -1.68 118.94 117.27 3f1h s TRP 41 Ca 0.12 0.61 -0.15 0.00 -2.12 0.00 0.00 56.10 54.56 3f1h s TRP 41 Cb 0.02 -2.94 -0.04 0.00 -0.81 0.00 0.00 33.47 29.70 3f1h s TRP 41 CO -0.04 -0.44 0.34 0.42 -0.51 0.00 0.00 176.95 176.73 3f1h s ILE 42 N 2.55 5.26 0.63 2.03 1.09 -0.47 -4.87 121.20 127.41 3f1h s ILE 42 Ca 0.25 0.62 -0.12 0.00 -1.10 0.00 0.00 60.65 60.30 3f1h s ILE 42 Cb -0.15 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 3f1h s ILE 42 CO 0.11 0.32 1.04 0.42 -0.10 0.00 0.00 174.94 176.73 3f1h s THR 43 N 0.87 4.44 0.12 2.92 -4.23 -1.26 -0.31 115.64 118.19 3f1h s THR 43 Ca 0.18 0.85 -0.33 0.00 -1.18 0.00 0.00 61.69 61.20 3f1h s THR 43 Cb -0.14 -3.69 -0.12 0.00 1.34 0.00 0.00 72.50 69.89 3f1h s THR 43 CO 0.06 -0.98 1.56 0.00 -0.54 0.00 0.00 174.62 174.72 3f1h h ALA 44 N -0.26 -0.86 -0.59 3.99 0.00 -1.43 -1.93 119.26 118.18 3f1h h ALA 44 Ca -0.44 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.53 3f1h h ALA 44 Cb 1.20 0.98 -0.10 0.00 0.00 0.00 0.00 17.79 19.87 3f1h h ALA 44 CO 0.60 -1.08 -0.03 -0.56 0.00 0.00 0.00 179.25 178.18 3f1h h GLN 45 N -0.58 0.09 -0.58 0.00 -0.00 -1.87 0.61 115.11 112.78 3f1h h GLN 45 Ca 0.04 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.78 3f1h h GLN 45 Cb 0.68 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.48 28.07 3f1h h GLN 45 CO -0.43 0.06 0.17 1.96 -0.00 0.00 0.00 178.83 180.58 3f1h h GLN 46 N 0.09 0.31 0.11 0.06 4.20 -1.81 0.44 115.11 118.51 3f1h h GLN 46 Ca 0.30 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3f1h h GLN 46 Cb 0.48 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3f1h h GLN 46 CO -0.52 0.21 -0.11 0.82 -0.67 0.00 0.00 178.83 178.55 3f1h h ILE 47 N 0.32 0.00 -1.08 2.54 2.04 -0.13 -2.49 117.51 118.72 3f1h h ILE 47 Ca 0.30 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.45 3f1h h ILE 47 Cb 0.39 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.36 3f1h h ILE 47 CO -0.34 0.00 0.68 -0.08 0.00 0.00 0.00 178.15 178.41 3f1h h GLU 48 N -0.22 0.35 -0.53 2.37 4.57 -1.24 0.16 114.58 120.03 3f1h h GLU 48 Ca -0.01 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3f1h h GLU 48 Cb 0.19 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 3f1h h GLU 48 CO -0.01 0.23 0.19 0.00 -1.18 0.00 0.00 179.01 178.23 3f1h h ALA 49 N 1.66 0.66 -0.03 2.92 0.00 -0.48 -0.77 119.26 123.22 3f1h h ALA 49 Ca 0.66 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 3f1h h ALA 49 Cb 1.68 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 3f1h h ALA 49 CO -0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 179.25 178.65 3f1h h ALA 50 N 1.36 0.04 -1.96 0.00 0.00 -0.32 -2.70 119.26 115.68 3f1h h ALA 50 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3f1h h ALA 50 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3f1h h ALA 50 CO -0.27 -0.25 0.00 -2.13 0.00 0.00 0.00 179.25 176.60 3f1h n ARG 51 N -4.86 0.00 -0.37 0.00 0.63 -0.67 -0.52 116.66 110.88 3f1h n ARG 51 Ca -0.08 0.50 0.36 0.00 -0.92 0.00 0.00 57.85 57.71 3f1h n ARG 51 Cb 0.22 -1.17 0.74 0.00 0.45 0.00 0.00 32.46 32.70 3f1h n ARG 51 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3f1h h VAL 52 N 0.00 0.37 0.13 5.15 3.04 -1.28 1.07 116.25 124.72 3f1h h VAL 52 Ca 0.00 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 3f1h h VAL 52 Cb 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 3f1h h VAL 52 CO 0.00 0.01 -0.06 0.00 -1.01 0.00 0.00 177.57 176.50 3f1h h ALA 53 N 1.39 -0.18 0.11 3.17 0.00 -0.89 -1.04 119.26 121.82 3f1h h ALA 53 Ca 0.61 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.45 3f1h h ALA 53 Cb 2.37 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.20 3f1h h ALA 53 CO -0.04 -0.54 -0.21 1.98 0.00 0.00 0.00 179.25 180.43 3f1h h MET 54 N -0.29 -0.38 0.08 0.00 -1.53 0.38 -1.96 114.93 111.23 3f1h h MET 54 Ca -0.02 0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 3f1h h MET 54 Cb 0.23 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 3f1h h MET 54 CO 0.03 -0.26 -0.16 -0.39 0.14 0.00 0.00 176.91 176.27 3f1h h VAL 55 N -0.40 0.63 -0.74 -5.77 -1.51 -1.40 -1.67 116.25 105.38 3f1h h VAL 55 Ca 0.03 0.00 0.22 0.00 -1.23 0.00 0.00 66.70 65.71 3f1h h VAL 55 Cb 0.42 0.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.18 3f1h h VAL 55 CO -0.12 0.00 0.64 -0.09 -1.23 0.00 0.00 177.57 176.77 3f1h h ARG 56 N -0.31 0.00 0.13 5.19 9.65 -0.73 -1.33 114.38 126.99 3f1h h ARG 56 Ca 0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3f1h h ARG 56 Cb 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3f1h h ARG 56 CO -0.10 0.00 -0.06 1.25 2.80 0.00 0.00 179.97 183.86 3f1h h HIS 57 N 0.00 -0.16 -3.51 2.20 2.76 -0.56 -3.36 115.15 112.52 3f1h h HIS 57 Ca 0.35 -0.00 -0.76 0.00 -2.20 0.00 0.00 60.37 57.76 3f1h h HIS 57 Cb 1.64 0.05 -0.31 0.00 1.55 0.00 0.00 27.41 30.34 3f1h h HIS 57 CO 0.00 0.27 0.19 -0.59 -1.30 0.00 0.00 177.93 176.50 3f1h s PHE 58 N -2.98 4.05 0.31 5.26 -0.12 -0.52 -5.06 117.98 118.93 3f1h s PHE 58 Ca -0.11 -2.74 -0.28 0.00 -0.05 0.00 0.00 56.93 53.74 3f1h s PHE 58 Cb -0.00 -3.60 -0.13 0.00 -0.63 0.00 0.00 43.02 38.66 3f1h s PHE 58 CO 0.42 -0.88 1.14 2.89 -0.05 0.00 0.00 175.22 178.75 3f1h n ARG 59 N 2.73 1.71 -3.68 1.99 1.85 -1.11 -1.89 116.66 118.26 3f1h n ARG 59 Ca 0.21 0.60 -0.25 0.00 -1.00 0.00 0.00 57.85 57.42 3f1h n ARG 59 Cb 0.39 -2.07 0.06 0.00 -1.05 0.00 0.00 32.46 29.79 3f1h n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3f1h n ARG 60 N 0.69 -6.74 -1.79 2.89 1.74 -1.26 -4.97 116.66 107.22 3f1h n ARG 60 Ca 0.08 0.74 -0.09 0.00 -0.77 0.00 0.00 57.85 57.80 3f1h n ARG 60 Cb 0.34 -5.69 0.04 0.00 -1.02 0.00 0.00 32.46 26.12 3f1h n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1h n GLY 61 N -1.75 1.60 0.00 -0.13 0.00 -0.79 -5.12 105.19 99.00 3f1h n GLY 61 Ca -0.06 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3f1h n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 62 N 1.69 -2.99 2.80 -0.02 0.00 -1.26 -5.00 105.19 100.40 3f1h n GLY 62 Ca 0.08 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3f1h n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1h s LYS 63 N 0.00 0.30 -0.24 1.61 2.20 -0.65 -5.01 119.74 117.95 3f1h s LYS 63 Ca 0.00 0.11 -0.08 0.00 -0.36 0.00 0.00 55.97 55.64 3f1h s LYS 63 Cb 0.00 -0.55 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 3f1h s LYS 63 CO 0.00 -0.18 0.10 0.42 -0.36 0.00 0.00 175.35 175.33 3f1h s ILE 64 N 1.27 4.68 0.19 5.43 1.01 -1.26 -1.38 121.20 131.14 3f1h s ILE 64 Ca -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3f1h s ILE 64 Cb -0.13 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 3f1h s ILE 64 CO -0.02 0.34 0.40 -0.36 0.00 0.00 0.00 174.94 175.30 3f1h s PHE 65 N 1.40 3.48 -0.41 3.97 0.08 0.53 -4.93 117.98 122.10 3f1h s PHE 65 Ca 0.06 0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.56 3f1h s PHE 65 Cb -0.15 -1.92 0.13 0.00 -0.57 0.00 0.00 43.02 40.51 3f1h s PHE 65 CO 0.05 0.37 0.21 0.96 -0.10 0.00 0.00 175.22 176.71 3f1h s ILE 66 N -1.83 1.24 0.17 0.64 -4.36 -1.26 -1.74 121.20 114.06 3f1h s ILE 66 Ca 0.40 -2.31 0.30 0.00 -0.26 0.00 0.00 60.65 58.77 3f1h s ILE 66 Cb -0.11 -1.88 0.33 0.00 1.25 0.00 0.00 42.46 42.04 3f1h s ILE 66 CO 0.28 -0.86 1.95 0.03 0.24 0.00 0.00 174.94 176.58 3f1h h ARG 67 N 6.97 0.00 -6.50 0.37 3.08 -1.47 -3.44 114.38 113.40 3f1h h ARG 67 Ca -0.02 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.52 3f1h h ARG 67 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3f1h h ARG 67 CO 0.46 0.09 -0.16 0.96 -1.07 0.00 0.00 179.97 180.26 3f1h s ILE 68 N -3.74 5.06 -0.25 2.04 -4.36 -1.24 -4.97 121.20 113.74 3f1h s ILE 68 Ca 0.00 -0.14 -0.11 0.00 -0.26 0.00 0.00 60.65 60.15 3f1h s ILE 68 Cb 0.10 -3.78 0.10 0.00 1.25 0.00 0.00 42.46 40.12 3f1h s ILE 68 CO 0.58 -0.41 0.57 0.12 0.24 0.00 0.00 174.94 176.03 3f1h s PHE 69 N -2.18 -1.02 -0.26 1.37 5.36 -1.26 -5.10 117.98 114.89 3f1h s PHE 69 Ca 0.42 1.92 -0.29 0.00 -0.96 0.00 0.00 56.93 58.02 3f1h s PHE 69 Cb -0.10 0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3f1h s PHE 69 CO 0.33 -0.53 1.59 -1.25 -1.46 0.00 0.00 175.22 173.89 3f1h s PRO 70 N 2.23 3.73 0.00 10.12 0.04 -1.26 -4.67 135.00 145.19 3f1h s PRO 70 Ca -0.07 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3f1h s PRO 70 Cb -0.09 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.41 3f1h s PRO 70 CO -0.17 -1.38 0.10 -0.40 0.04 0.00 0.00 177.00 175.20 3f1h n ASP 71 N 8.64 0.20 -4.67 6.66 5.68 -0.28 -4.61 116.55 128.17 3f1h n ASP 71 Ca 0.19 -0.82 -0.41 0.00 -0.50 0.00 0.00 54.79 53.25 3f1h n ASP 71 Cb 0.46 0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 3f1h n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3f1h s LYS 72 N -0.05 4.30 0.25 0.11 2.20 -0.86 -4.90 119.74 120.79 3f1h s LYS 72 Ca 0.00 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 3f1h s LYS 72 Cb 0.00 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 3f1h s LYS 72 CO 0.00 -0.25 1.36 -2.14 -0.36 0.00 0.00 175.35 173.96 3f1h s PRO 73 N 1.90 4.33 -0.49 4.03 0.02 -1.26 -1.27 135.00 142.26 3f1h s PRO 73 Ca 0.36 2.19 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 3f1h s PRO 73 Cb -0.17 -3.13 0.13 0.00 0.02 0.00 0.00 34.50 31.35 3f1h s PRO 73 CO 0.13 -0.30 0.32 -0.47 -0.33 0.00 0.00 177.00 176.35 3f1h s TYR 74 N -0.25 3.51 0.56 6.54 5.04 0.11 -4.60 117.35 128.25 3f1h s TYR 74 Ca 0.56 -2.26 -0.16 0.00 -2.44 0.00 0.00 57.07 52.77 3f1h s TYR 74 Cb -0.39 -3.35 -0.06 0.00 0.35 0.00 0.00 41.96 38.51 3f1h s TYR 74 CO 0.44 -0.96 1.02 0.95 -1.34 0.00 0.00 175.55 175.66 3f1h s THR 75 N 0.96 4.16 -0.26 4.34 -4.23 -1.26 0.34 115.64 119.68 3f1h s THR 75 Ca 0.09 1.02 -0.26 0.00 -1.18 0.00 0.00 61.69 61.36 3f1h s THR 75 Cb -0.23 -3.55 0.14 0.00 1.34 0.00 0.00 72.50 70.20 3f1h s THR 75 CO -0.03 -0.61 1.14 -0.75 -0.54 0.00 0.00 174.62 173.83 3f1h s LYS 76 N -4.11 0.40 -0.14 3.99 2.47 -1.26 -4.72 119.74 116.36 3f1h s LYS 76 Ca 0.61 0.35 -0.07 0.00 -1.56 0.00 0.00 55.97 55.31 3f1h s LYS 76 Cb -0.13 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 3f1h s LYS 76 CO 0.35 -0.07 0.10 0.21 0.16 0.00 0.00 175.35 176.10 3f1h s LYS 77 N -0.17 3.62 0.00 4.03 2.20 -1.26 -2.94 119.74 125.22 3f1h s LYS 77 Ca 0.03 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 3f1h s LYS 77 Cb -0.04 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3f1h s LYS 77 CO -0.07 0.57 0.29 -0.35 -0.36 0.00 0.00 175.35 175.42 3f1h n PRO 78 N 2.64 0.39 -1.26 4.03 -0.04 -1.26 -4.63 135.00 134.87 3f1h n PRO 78 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3f1h n PRO 78 Cb 0.54 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 3f1h n PRO 78 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3f1h n LEU 79 N 0.53 -1.08 0.00 1.53 4.32 -1.26 -5.09 117.00 115.95 3f1h n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3f1h n LEU 79 Cb 0.14 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 3f1h n LEU 79 CO 0.00 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.55 3f1h n GLU 80 N -0.36 1.32 0.00 3.23 -0.58 -1.26 -5.18 120.64 117.81 3f1h n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3f1h n GLU 80 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.14 3f1h n GLU 80 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3f1h n VAL 81 N 0.00 0.00 -0.17 2.62 0.31 -1.26 -5.12 118.33 114.71 3f1h n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3f1h n VAL 81 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3f1h n VAL 81 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3f1h n ARG 82 N -0.62 0.43 -2.56 5.55 5.12 -1.26 -5.09 116.66 118.24 3f1h n ARG 82 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3f1h n ARG 82 Cb 0.00 -0.04 -0.03 0.00 -1.16 0.00 0.00 32.46 31.24 3f1h n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3f1h s MET 83 N 0.00 4.45 0.28 5.56 0.23 -1.26 -4.89 119.30 123.67 3f1h s MET 83 Ca 0.00 1.58 0.00 0.00 -1.03 0.00 0.00 55.69 56.24 3f1h s MET 83 Cb 0.00 -3.46 0.00 0.00 -1.53 0.00 0.00 34.83 29.84 3f1h s MET 83 CO 0.00 -0.24 0.00 0.41 -2.03 0.00 0.00 175.02 173.16 3f1h n GLY 84 N 3.13 -1.99 3.86 3.16 0.00 -1.26 -4.88 105.19 107.21 3f1h n GLY 84 Ca 0.08 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 3f1h n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1h s LYS 85 N -2.26 3.76 0.11 1.61 2.20 -1.26 -5.01 119.74 118.89 3f1h s LYS 85 Ca 0.00 0.18 -0.34 0.00 -0.36 0.00 0.00 55.97 55.46 3f1h s LYS 85 Cb 0.00 -3.07 -0.18 0.00 -1.51 0.00 0.00 37.83 33.07 3f1h s LYS 85 CO 0.00 0.61 0.81 0.41 -0.36 0.00 0.00 175.35 176.82 3f1h n GLY 86 N 1.20 -0.97 0.32 5.54 0.00 -1.26 -4.74 105.19 105.28 3f1h n GLY 86 Ca -0.10 0.54 0.16 0.00 0.00 0.00 0.00 46.02 46.61 3f1h n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f1h h LYS 87 N 2.05 0.00 0.00 1.61 3.64 -1.95 -3.41 116.57 118.50 3f1h h LYS 87 Ca -0.39 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.19 3f1h h LYS 87 Cb 1.43 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.20 3f1h h LYS 87 CO 0.61 0.00 -0.27 0.41 -2.27 0.00 0.00 179.45 177.94 3f1h n GLY 88 N -1.44 -1.21 2.24 5.01 0.00 -1.15 -4.85 105.19 103.78 3f1h n GLY 88 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3f1h n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f1h n ASN 89 N -3.94 -2.50 -0.07 1.61 4.13 1.02 -4.72 115.26 110.79 3f1h n ASN 89 Ca 0.01 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 3f1h n ASN 89 Cb 0.34 -0.52 -0.02 0.00 -1.54 0.00 0.00 39.78 38.04 3f1h n ASN 89 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3f1h h VAL 90 N 0.00 1.04 0.00 2.41 2.07 -1.86 0.28 116.25 120.20 3f1h h VAL 90 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3f1h h VAL 90 Cb 0.03 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3f1h h VAL 90 CO 0.00 0.06 -0.23 -0.62 0.02 0.00 0.00 177.57 176.80 3f1h n GLU 91 N -4.93 0.11 0.00 1.57 -0.58 -1.26 -5.00 120.64 110.55 3f1h n GLU 91 Ca -0.02 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3f1h n GLU 91 Cb 0.04 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 3f1h n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f1h n GLY 92 N 1.43 1.26 3.20 0.62 0.00 1.00 -4.71 105.19 107.99 3f1h n GLY 92 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 3f1h n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1h s TYR 93 N 0.00 0.49 0.25 1.61 1.51 -1.26 0.05 117.35 119.99 3f1h s TYR 93 Ca 0.00 -0.91 -0.12 0.00 -1.01 0.00 0.00 57.07 55.03 3f1h s TYR 93 Cb 0.00 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.60 3f1h s TYR 93 CO 0.00 -0.55 0.46 0.14 -1.11 0.00 0.00 175.55 174.49 3f1h s VAL 94 N -3.95 0.00 -0.05 0.71 -7.23 -0.40 -1.18 120.40 108.30 3f1h s VAL 94 Ca 0.14 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 3f1h s VAL 94 Cb 0.06 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 3f1h s VAL 94 CO -0.04 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 174.58 3f1h s ALA 95 N -3.96 1.54 -0.76 1.32 0.00 0.58 -1.13 121.76 119.35 3f1h s ALA 95 Ca 0.24 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 3f1h s ALA 95 Cb -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3f1h s ALA 95 CO 0.10 0.26 1.47 0.14 0.00 0.00 0.00 175.76 177.73 3f1h s VAL 96 N 0.13 3.65 -0.34 0.00 -7.23 -1.26 -1.37 120.40 113.97 3f1h s VAL 96 Ca -0.06 0.17 -0.10 0.00 -1.81 0.00 0.00 61.98 60.17 3f1h s VAL 96 Cb -0.12 -4.66 0.01 0.00 0.56 0.00 0.00 36.38 32.16 3f1h s VAL 96 CO 0.03 -1.60 0.18 -0.69 -0.31 0.00 0.00 175.10 172.71 3f1h s VAL 97 N 6.65 4.59 0.17 1.32 1.01 -0.67 -5.00 120.40 128.46 3f1h s VAL 97 Ca 0.46 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.84 3f1h s VAL 97 Cb -0.08 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3f1h s VAL 97 CO 0.12 -0.09 0.16 -0.54 0.00 0.00 0.00 175.10 174.75 3f1h s LYS 98 N 1.58 2.97 -0.34 2.72 1.02 -1.26 -0.73 119.74 125.70 3f1h s LYS 98 Ca 0.03 -0.85 -0.40 0.00 0.02 0.00 0.00 55.97 54.78 3f1h s LYS 98 Cb -0.18 -2.68 -0.15 0.00 -0.52 0.00 0.00 37.83 34.29 3f1h s LYS 98 CO 0.06 0.48 1.88 -2.30 -0.92 0.00 0.00 175.35 174.56 3f1h n PRO 99 N -0.42 0.90 0.00 -1.68 -0.02 -1.26 -2.01 135.00 130.51 3f1h n PRO 99 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3f1h n PRO 99 Cb 0.55 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3f1h n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1h n GLY 100 N 5.09 1.96 3.66 -1.23 0.00 0.21 -4.33 105.19 110.56 3f1h n GLY 100 Ca 0.34 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3f1h n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1h n ARG 101 N 0.00 1.67 -3.33 1.61 3.00 -0.85 -3.42 116.66 115.34 3f1h n ARG 101 Ca 0.00 0.60 -0.39 0.00 -0.00 0.00 0.00 57.85 58.06 3f1h n ARG 101 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 32.46 30.17 3f1h n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3f1h s VAL 102 N -1.22 5.15 -0.20 5.15 1.01 -1.26 -1.69 120.40 127.34 3f1h s VAL 102 Ca 0.62 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3f1h s VAL 102 Cb -0.54 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 3f1h s VAL 102 CO 0.58 0.18 -0.19 0.23 0.00 0.00 0.00 175.10 175.90 3f1h n MET 103 N 4.92 0.50 -3.80 2.72 0.00 0.64 -4.13 117.12 117.96 3f1h n MET 103 Ca -0.07 0.12 -0.14 0.00 0.00 0.00 0.00 57.70 57.62 3f1h n MET 103 Cb 0.51 -1.39 -0.15 0.00 0.00 0.00 0.00 33.22 32.19 3f1h n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3f1h s PHE 104 N -2.40 0.01 -0.15 2.03 0.40 -1.24 -1.48 117.98 115.15 3f1h s PHE 104 Ca -0.27 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.13 3f1h s PHE 104 Cb 0.07 -0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 3f1h s PHE 104 CO 0.45 -0.06 -0.05 -1.21 0.70 0.00 0.00 175.22 175.05 3f1h s GLU 105 N 0.73 3.62 0.07 0.44 0.41 -0.71 -1.58 118.70 121.68 3f1h s GLU 105 Ca -0.06 -0.54 0.04 0.00 -0.41 0.00 0.00 54.97 54.00 3f1h s GLU 105 Cb -0.09 -2.87 -0.04 0.00 -1.78 0.00 0.00 34.13 29.35 3f1h s GLU 105 CO -0.02 0.25 0.00 0.14 -0.49 0.00 0.00 175.26 175.14 3f1h s VAL 106 N 0.33 4.06 0.11 2.63 -7.23 -0.74 0.20 120.40 119.76 3f1h s VAL 106 Ca -0.05 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.10 3f1h s VAL 106 Cb -0.14 -2.91 0.02 0.00 0.56 0.00 0.00 36.38 33.91 3f1h s VAL 106 CO 0.03 0.18 0.30 0.00 -0.31 0.00 0.00 175.10 175.31 3f1h s ALA 107 N -1.26 -0.61 -0.44 1.32 0.00 -0.48 -0.04 121.76 120.25 3f1h s ALA 107 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3f1h s ALA 107 Cb -0.12 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.60 3f1h s ALA 107 CO 0.17 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3f1h n GLY 108 N -0.14 0.22 3.30 0.00 0.00 -1.26 -1.63 105.19 105.68 3f1h n GLY 108 Ca -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 3f1h n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f1h s VAL 109 N -2.25 0.03 0.66 1.61 -7.23 -1.26 -4.11 120.40 107.85 3f1h s VAL 109 Ca 0.00 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 3f1h s VAL 109 Cb 0.00 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 3f1h s VAL 109 CO 0.00 -0.15 1.05 0.42 -0.31 0.00 0.00 175.10 176.11 3f1h s THR 110 N -4.07 4.28 0.09 5.32 -4.23 -1.26 -4.85 115.64 110.92 3f1h s THR 110 Ca 0.28 0.74 -0.34 0.00 -1.18 0.00 0.00 61.69 61.19 3f1h s THR 110 Cb 0.05 -3.70 -0.16 0.00 1.34 0.00 0.00 72.50 70.03 3f1h s THR 110 CO 0.07 -0.97 1.54 -0.33 -0.54 0.00 0.00 174.62 174.39 3f1h h GLU 111 N -0.47 -0.82 0.00 3.99 5.08 -2.02 -0.64 114.58 119.70 3f1h h GLU 111 Ca -0.44 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3f1h h GLU 111 Cb 1.21 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3f1h h GLU 111 CO 0.62 -0.55 0.66 1.05 -1.00 0.00 0.00 179.01 179.79 3f1h h GLU 112 N -0.85 0.00 0.06 2.33 9.09 -1.98 0.76 114.58 123.99 3f1h h GLU 112 Ca -0.03 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.08 3f1h h GLU 112 Cb 0.80 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.87 3f1h h GLU 112 CO -0.18 0.00 -1.63 1.04 0.05 0.00 0.00 179.01 178.29 3f1h n GLN 113 N -2.68 0.66 -0.04 1.06 6.02 -0.43 -3.28 117.38 118.68 3f1h n GLN 113 Ca -0.01 0.42 -0.11 0.00 -0.01 0.00 0.00 57.00 57.29 3f1h n GLN 113 Cb 0.69 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 3f1h n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f1h h ALA 114 N -0.23 0.21 0.07 -1.58 0.00 0.16 0.18 119.26 118.08 3f1h h ALA 114 Ca -0.39 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.42 3f1h h ALA 114 Cb 1.66 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 3f1h h ALA 114 CO -0.07 -0.18 -0.29 0.52 0.00 0.00 0.00 179.25 179.23 3f1h h MET 115 N 0.08 -0.47 0.90 0.00 2.86 -0.08 0.35 114.93 118.58 3f1h h MET 115 Ca 0.05 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3f1h h MET 115 Cb 0.21 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3f1h h MET 115 CO -0.00 -0.31 -0.47 1.49 1.06 0.00 0.00 176.91 178.68 3f1h h GLU 116 N -0.48 -1.21 0.09 1.72 4.57 -1.53 -0.67 114.58 117.07 3f1h h GLU 116 Ca 0.04 0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3f1h h GLU 116 Cb 0.53 0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3f1h h GLU 116 CO -0.20 -0.81 -0.16 0.00 -1.18 0.00 0.00 179.01 176.66 3f1h h ALA 117 N -1.19 -0.27 -0.01 2.92 0.00 -0.88 0.24 119.26 120.07 3f1h h ALA 117 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3f1h h ALA 117 Cb 0.98 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f1h h ALA 117 CO 0.18 -0.69 0.01 -0.07 0.00 0.00 0.00 179.25 178.68 3f1h h LEU 118 N -0.32 0.00 0.02 0.00 3.38 -0.32 -0.73 115.31 117.34 3f1h h LEU 118 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3f1h h LEU 118 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3f1h h LEU 118 CO -0.09 0.00 -0.16 -0.09 0.09 0.00 0.00 178.44 178.18 3f1h h ARG 119 N 0.00 0.08 -1.01 1.13 2.43 0.48 -3.04 114.38 114.45 3f1h h ARG 119 Ca 0.00 -0.11 0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3f1h h ARG 119 Cb 0.03 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.53 3f1h h ARG 119 CO -0.00 0.98 0.63 0.82 -1.51 0.00 0.00 179.97 180.89 3f1h h ILE 120 N -0.77 0.88 -0.96 1.20 1.08 0.37 0.17 117.51 119.48 3f1h h ILE 120 Ca -0.03 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3f1h h ILE 120 Cb 1.05 -0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 3f1h h ILE 120 CO 0.03 0.18 0.61 0.00 -0.69 0.00 0.00 178.15 178.28 3f1h h ALA 121 N 1.56 1.22 -0.00 1.87 0.00 -1.25 -1.50 119.26 121.16 3f1h h ALA 121 Ca 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3f1h h ALA 121 Cb 0.56 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3f1h h ALA 121 CO -0.29 0.65 0.03 0.78 0.00 0.00 0.00 179.25 180.42 3f1h h GLY 122 N 1.32 0.00 2.00 0.00 0.00 -0.55 0.34 103.07 106.18 3f1h h GLY 122 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3f1h h GLY 122 CO -0.07 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.92 3f1h h HIS 123 N 0.00 0.00 0.00 5.60 -0.00 -1.06 -3.15 115.15 116.54 3f1h h HIS 123 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 3f1h h HIS 123 Cb 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 3f1h h HIS 123 CO 0.00 0.00 -1.30 1.63 -0.00 0.00 0.00 177.93 178.26 3f1h n LYS 124 N -2.71 0.62 -2.91 2.45 4.76 0.10 -4.90 118.16 115.57 3f1h n LYS 124 Ca 0.04 0.16 -0.40 0.00 -2.87 0.00 0.00 58.31 55.24 3f1h n LYS 124 Cb 0.46 -1.80 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 3f1h n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f1h s LEU 125 N -5.56 4.43 0.00 -0.35 1.43 -1.14 -4.92 118.68 112.56 3f1h s LEU 125 Ca -0.02 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 3f1h s LEU 125 Cb 0.09 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.99 3f1h s LEU 125 CO 0.81 -0.06 0.13 -0.81 0.23 0.00 0.00 176.35 176.65 3f1h n PRO 126 N 3.11 0.17 -4.17 1.29 -0.04 -1.26 -4.77 135.00 129.33 3f1h n PRO 126 Ca -0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 3f1h n PRO 126 Cb 0.50 -1.04 -0.11 0.00 -0.04 0.00 0.00 33.50 32.82 3f1h n PRO 126 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3f1h s ILE 127 N -1.57 0.87 0.21 0.52 1.01 -1.26 -5.09 121.20 115.88 3f1h s ILE 127 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 60.65 58.62 3f1h s ILE 127 Cb 0.00 -1.45 -0.08 0.00 0.01 0.00 0.00 42.46 40.94 3f1h s ILE 127 CO 0.00 -0.66 1.16 -0.54 0.00 0.00 0.00 174.94 174.91 3f1h s LYS 128 N -3.10 4.53 0.27 2.79 1.02 -1.26 -4.97 119.74 119.02 3f1h s LYS 128 Ca 0.07 1.84 0.05 0.00 0.02 0.00 0.00 55.97 57.96 3f1h s LYS 128 Cb -0.01 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 3f1h s LYS 128 CO -0.01 -0.01 0.18 0.25 -0.92 0.00 0.00 175.35 174.84 3f1h n THR 129 N 2.18 0.00 -3.61 2.17 -2.24 -1.26 -0.94 114.28 110.58 3f1h n THR 129 Ca 0.03 -1.80 -0.15 0.00 -2.27 0.00 0.00 64.05 59.86 3f1h n THR 129 Cb 0.45 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 3f1h n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3f1h s LYS 130 N -3.06 0.86 -0.20 -0.78 2.36 -0.81 -4.83 119.74 113.28 3f1h s LYS 130 Ca 0.25 0.68 -0.06 0.00 -2.55 0.00 0.00 55.97 54.28 3f1h s LYS 130 Cb 0.01 0.41 -0.03 0.00 -1.05 0.00 0.00 37.83 37.17 3f1h s LYS 130 CO 0.18 -0.17 0.04 0.42 1.55 0.00 0.00 175.35 177.37 3f1h s ILE 131 N -0.19 4.37 0.00 5.43 1.01 -1.26 -0.52 121.20 130.04 3f1h s ILE 131 Ca -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3f1h s ILE 131 Cb -0.03 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3f1h s ILE 131 CO 0.04 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 3f1h s VAL 132 N 0.89 3.77 0.00 2.92 1.01 -0.69 -4.95 120.40 123.35 3f1h s VAL 132 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3f1h s VAL 132 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3f1h s VAL 132 CO 0.02 0.39 0.24 0.54 0.00 0.00 0.00 175.10 176.30 3f1h n ARG 133 N 1.52 0.00 0.00 2.72 5.12 -1.26 -2.23 116.66 122.52 3f1h n ARG 133 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 3f1h n ARG 133 Cb 0.53 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 3f1h n ARG 133 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3f1h n ARG 134 N -0.40 0.00 0.00 5.56 3.00 -1.26 -3.90 116.66 119.66 3f1h n ARG 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3f1h n ARG 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3f1h n ARG 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3f1h n ASP 135 N 0.00 0.00 0.00 6.15 9.92 -1.26 -4.32 116.55 127.04 3f1h n ASP 135 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3f1h n ASP 135 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3f1h n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3f1h n ALA 136 N 1.91 0.00 -1.42 2.24 0.00 -1.26 -5.11 120.51 116.86 3f1h n ALA 136 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 53.44 52.85 3f1h n ALA 136 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3f1h n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1h n TYR 137 N 0.00 1.46 0.00 0.00 4.02 -1.26 -4.79 117.16 116.58 3f1h n TYR 137 Ca 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 57.90 58.57 3f1h n TYR 137 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 39.34 36.96 3f1h n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3f1h n ASP 138 N 7.29 0.00 0.00 7.72 9.92 -1.26 -4.91 116.55 135.31 3f1h n ASP 138 Ca 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 3f1h n ASP 138 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3f1h n ASP 138 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54