#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f45 h MET 2 N 0.00 0.72 0.00 4.33 1.85 -1.94 -1.10 114.93 118.79 3f45 h MET 2 Ca 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3f45 h MET 2 Cb 0.00 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 31.87 3f45 h MET 2 CO 0.00 0.47 0.00 0.25 -0.40 0.00 0.00 176.91 177.23 3f45 n THR 3 N -4.47 0.00 0.13 -0.77 -2.24 -1.26 -0.57 114.28 105.11 3f45 n THR 3 Ca 0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3f45 n THR 3 Cb 0.17 -0.42 0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3f45 n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3f45 h ASP 4 N 0.00 0.00 0.00 3.42 3.32 -1.65 -3.40 116.42 118.11 3f45 h ASP 4 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3f45 h ASP 4 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3f45 h ASP 4 CO 0.00 0.30 -1.85 0.18 -1.72 0.00 0.00 179.24 176.15 3f45 n LEU 5 N -3.03 2.45 -4.16 1.55 4.77 -0.04 -5.04 117.00 113.50 3f45 n LEU 5 Ca -0.00 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.77 3f45 n LEU 5 Cb 0.67 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3f45 n LEU 5 CO 0.39 0.67 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.95 3f45 s LEU 6 N -5.70 2.38 0.29 2.23 1.43 0.27 -5.03 118.68 114.55 3f45 s LEU 6 Ca -0.18 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 51.98 3f45 s LEU 6 Cb 0.05 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.90 3f45 s LEU 6 CO 0.37 -0.26 0.74 -0.94 0.23 0.00 0.00 176.35 176.49 3f45 s SER 7 N -2.32 6.87 0.35 2.29 1.04 -1.26 -4.06 113.70 116.61 3f45 s SER 7 Ca 0.03 1.34 0.10 0.00 0.48 0.00 0.00 55.95 57.89 3f45 s SER 7 Cb -0.04 -2.39 0.84 0.00 0.10 0.00 0.00 66.02 64.53 3f45 s SER 7 CO -0.00 -0.13 1.82 0.00 0.98 0.00 0.00 173.24 175.91 3f45 h ALA 8 N 2.63 1.86 0.19 5.32 0.00 -1.95 -1.16 119.26 126.14 3f45 h ALA 8 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3f45 h ALA 8 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3f45 h ALA 8 CO 0.65 -0.17 -0.18 0.93 0.00 0.00 0.00 179.25 180.48 3f45 h GLU 9 N 0.67 -0.38 -0.45 0.00 3.07 -1.99 -1.57 114.58 113.92 3f45 h GLU 9 Ca 0.51 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.32 3f45 h GLU 9 Cb 0.91 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 3f45 h GLU 9 CO -0.27 -0.26 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.60 3f45 h ASP 10 N -0.40 0.73 -0.03 1.42 3.32 -1.77 -1.16 116.42 118.54 3f45 h ASP 10 Ca -0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3f45 h ASP 10 Cb 0.37 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3f45 h ASP 10 CO -0.04 0.83 0.01 0.40 -1.72 0.00 0.00 179.24 178.72 3f45 h ILE 11 N 0.70 1.13 -0.32 0.35 2.04 -1.07 0.45 117.51 120.80 3f45 h ILE 11 Ca 0.13 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3f45 h ILE 11 Cb 0.49 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3f45 h ILE 11 CO 0.03 0.11 -0.00 0.50 0.00 0.00 0.00 178.15 178.78 3f45 h LYS 12 N -0.11 0.08 -0.26 2.37 3.64 -1.22 -1.09 116.57 119.97 3f45 h LYS 12 Ca 0.01 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3f45 h LYS 12 Cb 0.16 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3f45 h LYS 12 CO -0.00 0.05 0.11 -0.22 -2.27 0.00 0.00 179.45 177.13 3f45 h LYS 13 N 0.09 0.24 -0.24 1.90 3.64 -0.98 0.13 116.57 121.34 3f45 h LYS 13 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3f45 h LYS 13 Cb 0.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3f45 h LYS 13 CO -0.26 0.16 0.09 0.00 -2.27 0.00 0.00 179.45 177.17 3f45 h ALA 14 N 1.15 0.32 -0.38 5.00 0.00 -0.62 0.86 119.26 125.59 3f45 h ALA 14 Ca 0.11 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3f45 h ALA 14 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3f45 h ALA 14 CO -0.09 -0.07 -0.32 0.82 0.00 0.00 0.00 179.25 179.59 3f45 h ILE 15 N 0.23 1.28 0.00 0.00 2.04 -1.22 -3.16 117.51 116.68 3f45 h ILE 15 Ca 0.08 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3f45 h ILE 15 Cb 0.20 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3f45 h ILE 15 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.25 3f45 n GLY 16 N 0.09 -1.19 0.12 5.37 0.00 0.44 -3.74 105.19 106.28 3f45 n GLY 16 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 3f45 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f45 h ALA 17 N 2.35 0.69 -2.35 4.61 0.00 -0.79 -3.44 119.26 120.33 3f45 h ALA 17 Ca 0.00 -0.64 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 3f45 h ALA 17 Cb 0.33 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3f45 h ALA 17 CO 0.00 0.88 0.43 -0.06 0.00 0.00 0.00 179.25 180.50 3f45 s PHE 18 N -3.15 3.40 0.65 0.00 0.08 -1.25 -5.04 117.98 112.67 3f45 s PHE 18 Ca 0.01 1.25 -0.01 0.00 0.12 0.00 0.00 56.93 58.30 3f45 s PHE 18 Cb 0.10 -3.03 0.08 0.00 -0.57 0.00 0.00 43.02 39.60 3f45 s PHE 18 CO 0.77 -0.28 0.91 0.95 -0.10 0.00 0.00 175.22 177.47 3f45 s THR 19 N 2.32 2.36 0.39 0.64 -4.23 -1.26 -4.96 115.64 110.90 3f45 s THR 19 Ca 0.38 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 3f45 s THR 19 Cb -0.16 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 71.17 3f45 s THR 19 CO 0.11 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.23 3f45 h ALA 20 N -0.30 1.68 -0.90 3.99 0.00 -2.02 -1.44 119.26 120.27 3f45 h ALA 20 Ca -0.39 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.63 3f45 h ALA 20 Cb 1.28 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3f45 h ALA 20 CO 0.47 0.29 0.58 0.00 0.00 0.00 0.00 179.25 180.59 3f45 h ALA 21 N 1.70 1.82 -2.44 0.00 0.00 -2.02 -3.42 119.26 114.90 3f45 h ALA 21 Ca 0.19 0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.58 3f45 h ALA 21 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3f45 h ALA 21 CO -0.04 -0.07 0.46 -0.51 0.00 0.00 0.00 179.25 179.09 3f45 s ASP 22 N -5.75 7.23 0.00 0.00 1.01 -0.55 -5.04 116.67 113.58 3f45 s ASP 22 Ca -0.10 1.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.69 3f45 s ASP 22 Cb 0.22 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 3f45 s ASP 22 CO 0.79 -0.36 1.56 -0.94 0.21 0.00 0.00 175.17 176.43 3f45 s SER 23 N 1.03 6.71 0.03 0.27 1.04 -1.26 -4.73 113.70 116.79 3f45 s SER 23 Ca 0.55 2.27 -0.37 0.00 0.48 0.00 0.00 55.95 58.88 3f45 s SER 23 Cb -0.25 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.15 3f45 s SER 23 CO 0.29 -0.84 1.42 0.33 0.98 0.00 0.00 173.24 175.41 3f45 n PHE 24 N 6.01 1.64 -3.74 5.02 7.35 -1.26 -4.89 117.46 127.59 3f45 n PHE 24 Ca 0.15 0.60 -0.28 0.00 -0.76 0.00 0.00 57.45 57.16 3f45 n PHE 24 Cb 0.42 -2.36 -0.16 0.00 0.35 0.00 0.00 39.48 37.73 3f45 n PHE 24 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3f45 s ASP 25 N 1.02 3.15 0.45 -2.13 2.15 -1.26 -5.00 116.67 115.05 3f45 s ASP 25 Ca 0.86 -0.98 0.17 0.00 0.43 0.00 0.00 52.55 53.03 3f45 s ASP 25 Cb -0.96 -0.66 1.12 0.00 -0.30 0.00 0.00 42.92 42.12 3f45 s ASP 25 CO 0.49 -0.32 1.98 1.12 -0.17 0.00 0.00 175.17 178.27 3f45 h HIS 26 N 8.21 0.34 0.46 -5.34 2.07 -1.98 0.11 115.15 119.03 3f45 h HIS 26 Ca -0.16 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.35 3f45 h HIS 26 Cb 1.10 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.97 3f45 h HIS 26 CO 0.31 0.15 -0.22 0.87 -3.07 0.00 0.00 177.93 175.97 3f45 h LYS 27 N 0.31 -0.60 -0.61 5.12 1.57 -1.94 0.51 116.57 120.93 3f45 h LYS 27 Ca 0.28 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 3f45 h LYS 27 Cb 0.68 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 3f45 h LYS 27 CO -0.07 -0.38 0.37 -0.22 -0.57 0.00 0.00 179.45 178.58 3f45 h LYS 28 N -0.66 0.70 0.65 3.15 3.64 -1.82 -1.75 116.57 120.49 3f45 h LYS 28 Ca -0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3f45 h LYS 28 Cb 0.49 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3f45 h LYS 28 CO 0.10 0.46 -0.37 0.35 -2.27 0.00 0.00 179.45 177.72 3f45 h PHE 29 N 0.72 -0.98 0.00 1.91 3.57 -0.39 -0.18 116.94 121.59 3f45 h PHE 29 Ca 0.25 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3f45 h PHE 29 Cb 0.05 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3f45 h PHE 29 CO -0.06 -0.57 -0.00 0.74 -2.23 0.00 0.00 178.31 176.18 3f45 h PHE 30 N -0.95 0.00 0.08 0.41 0.04 0.02 0.23 116.94 116.77 3f45 h PHE 30 Ca -0.08 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 3f45 h PHE 30 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 3f45 h PHE 30 CO -0.08 0.00 -0.04 0.37 -0.60 0.00 0.00 178.31 177.97 3f45 h GLN 31 N 0.00 -0.11 -0.07 1.51 5.75 -1.08 -1.77 115.11 119.34 3f45 h GLN 31 Ca -0.00 0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 3f45 h GLN 31 Cb 0.01 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3f45 h GLN 31 CO 0.00 0.30 -0.60 0.52 -2.65 0.00 0.00 178.83 176.40 3f45 h MET 32 N -0.55 0.23 0.00 1.69 2.86 -0.37 -2.36 114.93 116.43 3f45 h MET 32 Ca -0.01 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3f45 h MET 32 Cb 0.46 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3f45 h MET 32 CO 0.02 0.76 0.00 1.55 1.06 0.00 0.00 176.91 180.30 3f45 n VAL 33 N -3.87 0.79 0.00 -2.22 3.14 0.74 -4.61 118.33 112.29 3f45 n VAL 33 Ca -0.02 0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 3f45 n VAL 33 Cb 0.61 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 3f45 n VAL 33 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3f45 n GLY 34 N 0.24 0.47 0.18 7.55 0.00 -0.89 -4.60 105.19 108.13 3f45 n GLY 34 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 3f45 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f45 h LEU 35 N 0.00 0.00 -1.71 0.99 5.85 -1.54 -2.96 115.31 115.95 3f45 h LEU 35 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3f45 h LEU 35 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3f45 h LEU 35 CO 0.00 0.44 -0.18 0.11 -0.34 0.00 0.00 178.44 178.46 3f45 h LYS 36 N 0.00 0.00 -0.01 1.25 1.57 -1.79 -2.75 116.57 114.85 3f45 h LYS 36 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f45 h LYS 36 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3f45 h LYS 36 CO 0.06 0.18 -0.33 1.63 -0.57 0.00 0.00 179.45 180.42 3f45 n LYS 37 N -3.88 0.59 -2.20 3.15 4.76 -1.12 -4.92 118.16 114.55 3f45 n LYS 37 Ca -0.02 -0.35 -0.32 0.00 -2.87 0.00 0.00 58.31 54.75 3f45 n LYS 37 Cb 0.27 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.96 3f45 n LYS 37 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3f45 s LYS 38 N -2.65 3.64 0.95 1.97 -0.14 -1.04 -5.03 119.74 117.44 3f45 s LYS 38 Ca 0.20 1.04 -0.11 0.00 -1.36 0.00 0.00 55.97 55.75 3f45 s LYS 38 Cb 0.19 -2.09 0.17 0.00 -1.68 0.00 0.00 37.83 34.42 3f45 s LYS 38 CO 0.57 -0.54 1.12 -1.54 -0.76 0.00 0.00 175.35 174.21 3f45 s SER 39 N -3.05 2.68 0.33 2.83 1.04 -1.26 -4.80 113.70 111.47 3f45 s SER 39 Ca 0.61 2.02 0.02 0.00 0.48 0.00 0.00 55.95 59.07 3f45 s SER 39 Cb -0.13 -2.50 0.57 0.00 0.10 0.00 0.00 66.02 64.06 3f45 s SER 39 CO 0.36 -3.23 1.92 0.00 0.98 0.00 0.00 173.24 173.27 3f45 h ALA 40 N -1.95 1.40 -0.08 5.32 0.00 -1.96 -0.47 119.26 121.51 3f45 h ALA 40 Ca -0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3f45 h ALA 40 Cb 1.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3f45 h ALA 40 CO 0.44 0.45 0.03 0.22 0.00 0.00 0.00 179.25 180.40 3f45 h ASP 41 N 0.71 0.10 -0.35 0.00 3.58 -2.00 -2.23 116.42 116.24 3f45 h ASP 41 Ca 0.17 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3f45 h ASP 41 Cb 0.16 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3f45 h ASP 41 CO -0.02 0.22 0.18 0.44 -2.88 0.00 0.00 179.24 177.18 3f45 h ASP 42 N -0.01 0.48 -0.79 2.28 3.32 -1.79 -1.37 116.42 118.54 3f45 h ASP 42 Ca 0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3f45 h ASP 42 Cb 0.14 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 3f45 h ASP 42 CO -0.00 0.42 0.47 0.58 -1.72 0.00 0.00 179.24 178.98 3f45 h VAL 43 N 0.54 1.22 -0.16 -1.35 2.07 -0.91 -0.34 116.25 117.32 3f45 h VAL 43 Ca 0.14 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 3f45 h VAL 43 Cb 0.07 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3f45 h VAL 43 CO -0.02 0.23 -0.29 0.11 0.02 0.00 0.00 177.57 177.62 3f45 h LYS 44 N 1.08 0.31 -0.27 1.57 1.57 -0.95 0.12 116.57 119.99 3f45 h LYS 44 Ca 0.28 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3f45 h LYS 44 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3f45 h LYS 44 CO -0.05 0.57 -0.29 0.87 -0.57 0.00 0.00 179.45 179.98 3f45 h LYS 45 N 0.27 0.55 -0.32 3.15 1.57 -0.80 -1.35 116.57 119.64 3f45 h LYS 45 Ca 0.04 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3f45 h LYS 45 Cb 0.66 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3f45 h LYS 45 CO 0.05 0.79 0.08 0.28 -0.57 0.00 0.00 179.45 180.08 3f45 h VAL 46 N 0.48 1.22 -0.48 0.50 2.07 -0.47 -2.67 116.25 116.90 3f45 h VAL 46 Ca 0.06 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 66.95 3f45 h VAL 46 Cb 0.75 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3f45 h VAL 46 CO 0.06 0.24 -0.14 0.15 0.02 0.00 0.00 177.57 177.91 3f45 h PHE 47 N 0.36 -0.31 -0.11 1.57 3.57 -0.46 -2.05 116.94 119.51 3f45 h PHE 47 Ca 0.10 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3f45 h PHE 47 Cb 0.29 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3f45 h PHE 47 CO 0.01 -0.22 -0.24 0.45 -2.23 0.00 0.00 178.31 176.08 3f45 h HIS 48 N -0.02 0.20 -0.20 0.41 3.86 -1.07 -0.74 115.15 117.59 3f45 h HIS 48 Ca 0.23 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3f45 h HIS 48 Cb 0.37 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3f45 h HIS 48 CO -0.42 0.42 0.09 0.82 0.86 0.00 0.00 177.93 179.70 3f45 h ILE 49 N 0.17 1.14 -0.20 2.45 2.04 -1.11 -2.94 117.51 119.06 3f45 h ILE 49 Ca 0.03 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3f45 h ILE 49 Cb 0.52 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3f45 h ILE 49 CO 0.04 0.14 0.07 -0.07 0.00 0.00 0.00 178.15 178.33 3f45 h LEU 50 N 0.19 0.24 -7.28 1.44 3.38 -0.77 -3.31 115.31 109.21 3f45 h LEU 50 Ca 0.07 -0.02 -0.71 0.00 0.09 0.00 0.00 57.88 57.32 3f45 h LEU 50 Cb 0.13 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 3f45 h LEU 50 CO -0.01 0.23 2.21 -0.67 0.09 0.00 0.00 178.44 180.29 3f45 n ASP 51 N -4.45 4.78 -0.12 -0.43 2.03 -0.34 -4.81 116.55 113.21 3f45 n ASP 51 Ca -0.00 -2.93 0.01 0.00 0.52 0.00 0.00 54.79 52.39 3f45 n ASP 51 Cb 0.12 -1.66 0.29 0.00 -0.72 0.00 0.00 41.12 39.15 3f45 n ASP 51 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3f45 h LYS 52 N 6.95 0.80 -0.32 -0.67 1.57 -1.77 -1.15 116.57 121.97 3f45 h LYS 52 Ca 0.44 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3f45 h LYS 52 Cb 0.80 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3f45 h LYS 52 CO 1.52 0.57 0.00 -0.40 -0.57 0.00 0.00 179.45 180.58 3f45 n ASP 53 N -4.41 2.73 -3.99 0.86 5.68 -1.26 -4.94 116.55 111.22 3f45 n ASP 53 Ca 0.06 -1.90 -0.30 0.00 -0.50 0.00 0.00 54.79 52.15 3f45 n ASP 53 Cb 0.08 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3f45 n ASP 53 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3f45 n LYS 54 N 1.02 -4.38 0.00 0.11 4.76 -0.44 -4.86 118.16 114.37 3f45 n LYS 54 Ca 0.18 0.50 0.14 0.00 -2.87 0.00 0.00 58.31 56.26 3f45 n LYS 54 Cb 0.49 -5.18 0.68 0.00 -1.84 0.00 0.00 35.03 29.18 3f45 n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3f45 n SER 55 N -2.83 0.11 0.00 4.39 3.41 -1.26 -4.90 113.62 112.54 3f45 n SER 55 Ca -0.05 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3f45 n SER 55 Cb 0.56 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3f45 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f45 n GLY 56 N 1.34 1.06 3.09 5.00 0.00 -1.26 -5.04 105.19 109.38 3f45 n GLY 56 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3f45 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f45 s PHE 57 N -2.85 0.77 -0.49 1.61 0.08 -1.26 -4.35 117.98 111.49 3f45 s PHE 57 Ca 0.00 -0.56 -0.21 0.00 0.12 0.00 0.00 56.93 56.28 3f45 s PHE 57 Cb 0.00 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 42.04 3f45 s PHE 57 CO 0.00 -0.07 0.71 0.42 -0.10 0.00 0.00 175.22 176.17 3f45 s ILE 58 N -1.72 4.74 0.84 0.64 1.01 0.15 -4.78 121.20 122.07 3f45 s ILE 58 Ca -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 3f45 s ILE 58 Cb -0.08 -4.32 0.14 0.00 0.01 0.00 0.00 42.46 38.21 3f45 s ILE 58 CO -0.00 -0.80 1.17 -1.61 0.00 0.00 0.00 174.94 173.70 3f45 s GLU 59 N 3.01 1.39 0.32 2.79 8.01 -1.26 -0.92 118.70 132.04 3f45 s GLU 59 Ca 0.22 -0.43 -0.00 0.00 0.01 0.00 0.00 54.97 54.76 3f45 s GLU 59 Cb -0.16 -2.03 0.51 0.00 -4.31 0.00 0.00 34.13 28.15 3f45 s GLU 59 CO 0.16 -1.84 1.98 1.49 0.01 0.00 0.00 175.26 177.06 3f45 h GLU 60 N -1.11 1.00 0.29 1.61 4.81 -1.97 0.20 114.58 119.42 3f45 h GLU 60 Ca -0.43 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3f45 h GLU 60 Cb 1.27 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3f45 h GLU 60 CO 0.48 0.66 -0.14 0.38 -0.73 0.00 0.00 179.01 179.66 3f45 h ASP 61 N 1.03 -0.33 -0.61 1.04 2.03 -1.97 -1.79 116.42 115.83 3f45 h ASP 61 Ca 0.29 -0.05 0.01 0.00 -0.73 0.00 0.00 57.03 56.55 3f45 h ASP 61 Cb -0.09 0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 3f45 h ASP 61 CO -0.07 -0.17 0.41 -0.33 -1.03 0.00 0.00 179.24 178.05 3f45 h GLU 62 N -0.48 0.78 -0.48 4.15 5.08 -1.79 -1.67 114.58 120.16 3f45 h GLU 62 Ca -0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3f45 h GLU 62 Cb 0.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3f45 h GLU 62 CO 0.07 0.51 0.07 1.25 -1.00 0.00 0.00 179.01 179.91 3f45 h LEU 63 N 0.80 0.77 -1.64 1.33 5.85 -0.50 -2.30 115.31 119.61 3f45 h LEU 63 Ca 0.23 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3f45 h LEU 63 Cb -0.05 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3f45 h LEU 63 CO -0.05 0.84 -0.18 1.23 -0.34 0.00 0.00 178.44 179.93 3f45 h GLY 64 N 0.67 0.00 -2.15 3.75 0.00 -0.74 -0.70 103.07 103.89 3f45 h GLY 64 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3f45 h GLY 64 CO 0.01 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.99 3f45 n SER 65 N -4.31 3.21 -0.29 0.19 7.64 -0.68 -0.06 113.62 119.31 3f45 n SER 65 Ca -0.02 -2.37 0.05 0.00 1.01 0.00 0.00 58.87 57.54 3f45 n SER 65 Cb 0.24 -0.51 0.20 0.00 -1.01 0.00 0.00 64.21 63.13 3f45 n SER 65 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3f45 h ILE 66 N 2.24 0.80 0.00 0.44 2.10 -0.56 -1.13 117.51 121.41 3f45 h ILE 66 Ca 0.00 -0.24 -0.05 0.00 1.08 0.00 0.00 64.86 65.65 3f45 h ILE 66 Cb 1.10 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3f45 h ILE 66 CO 0.20 0.13 -0.26 -0.07 -1.08 0.00 0.00 178.15 177.07 3f45 h LEU 67 N 0.69 0.00 -1.78 2.19 3.38 -1.83 0.01 115.31 117.98 3f45 h LEU 67 Ca 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 3f45 h LEU 67 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3f45 h LEU 67 CO -0.32 0.26 -0.15 0.11 0.09 0.00 0.00 178.44 178.43 3f45 h LYS 68 N 0.00 0.00 -0.28 1.13 1.57 -1.32 0.69 116.57 118.36 3f45 h LYS 68 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3f45 h LYS 68 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3f45 h LYS 68 CO 0.03 0.15 0.19 0.78 -0.57 0.00 0.00 179.45 180.03 3f45 h GLY 69 N 0.65 0.38 0.54 3.86 0.00 -0.95 -3.00 103.07 104.55 3f45 h GLY 69 Ca -0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 47.33 46.83 3f45 h GLY 69 CO 0.02 0.13 -2.05 0.69 0.00 0.00 0.00 176.54 175.33 3f45 n PHE 70 N -4.50 0.90 -3.44 5.60 3.72 -0.58 -4.63 117.46 114.54 3f45 n PHE 70 Ca 0.01 0.22 -0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3f45 n PHE 70 Cb 0.08 -1.13 -0.10 0.00 -0.94 0.00 0.00 39.48 37.40 3f45 n PHE 70 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3f45 s SER 71 N -6.65 0.49 0.52 4.37 0.15 0.13 -4.94 113.70 107.77 3f45 s SER 71 Ca -0.20 0.21 0.19 0.00 0.70 0.00 0.00 55.95 56.85 3f45 s SER 71 Cb 0.07 0.92 1.34 0.00 -1.71 0.00 0.00 66.02 66.64 3f45 s SER 71 CO 0.76 -0.30 2.13 0.77 1.20 0.00 0.00 173.24 177.80 3f45 h SER 72 N 8.22 0.00 1.00 5.45 4.64 -1.78 0.16 113.55 131.24 3f45 h SER 72 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3f45 h SER 72 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3f45 h SER 72 CO 0.25 0.05 0.00 -2.24 -0.87 0.00 0.00 176.83 174.02 3f45 h ASP 73 N 0.00 0.00 -3.96 4.97 2.03 -1.93 -3.45 116.42 114.08 3f45 h ASP 73 Ca -0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3f45 h ASP 73 Cb 0.10 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 38.75 3f45 h ASP 73 CO 0.01 0.00 0.48 0.00 -1.03 0.00 0.00 179.24 178.70 3f45 n ALA 74 N -1.87 1.15 -1.95 4.15 0.00 0.55 -4.97 120.51 117.57 3f45 n ALA 74 Ca 0.02 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 3f45 n ALA 74 Cb 0.30 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.46 3f45 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f45 s ALA 75 N -1.36 3.16 0.72 0.00 0.00 -1.26 -4.53 121.76 118.48 3f45 s ALA 75 Ca 0.77 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 3f45 s ALA 75 Cb -0.41 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3f45 s ALA 75 CO 0.45 -0.63 1.16 -0.51 0.00 0.00 0.00 175.76 176.23 3f45 s ASP 76 N -4.17 4.48 0.67 0.00 1.11 -1.26 -4.69 116.67 112.81 3f45 s ASP 76 Ca 0.54 2.18 -0.15 0.00 0.18 0.00 0.00 52.55 55.30 3f45 s ASP 76 Cb -0.11 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.32 3f45 s ASP 76 CO 0.52 -2.06 1.12 -0.76 1.18 0.00 0.00 175.17 175.17 3f45 s LEU 77 N -5.17 3.38 0.95 1.23 1.43 0.92 -5.01 118.68 116.41 3f45 s LEU 77 Ca 0.70 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3f45 s LEU 77 Cb -0.25 -4.56 0.16 0.00 0.03 0.00 0.00 46.19 41.58 3f45 s LEU 77 CO 0.45 -1.72 1.09 -0.94 0.23 0.00 0.00 176.35 175.45 3f45 s SER 78 N -2.49 2.96 0.17 2.29 1.04 -1.26 -4.74 113.70 111.67 3f45 s SER 78 Ca 0.68 1.49 -0.18 0.00 0.48 0.00 0.00 55.95 58.42 3f45 s SER 78 Cb -0.22 -2.16 0.11 0.00 0.10 0.00 0.00 66.02 63.85 3f45 s SER 78 CO 0.42 -2.96 1.64 0.00 0.98 0.00 0.00 173.24 173.32 3f45 h ALA 79 N -1.77 0.16 -0.35 5.32 0.00 -1.99 0.11 119.26 120.75 3f45 h ALA 79 Ca -0.51 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3f45 h ALA 79 Cb 1.30 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3f45 h ALA 79 CO 0.54 -0.53 0.23 -0.22 0.00 0.00 0.00 179.25 179.27 3f45 h LYS 80 N -0.09 0.45 -0.65 0.00 3.64 -1.99 0.69 116.57 118.63 3f45 h LYS 80 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3f45 h LYS 80 Cb 0.41 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3f45 h LYS 80 CO -0.48 0.30 0.22 0.93 -2.27 0.00 0.00 179.45 178.15 3f45 h GLU 81 N 0.47 0.99 0.06 1.90 5.08 -1.78 0.10 114.58 121.40 3f45 h GLU 81 Ca 0.13 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3f45 h GLU 81 Cb -0.05 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3f45 h GLU 81 CO -0.03 0.86 -0.18 1.15 -1.00 0.00 0.00 179.01 179.81 3f45 h THR 82 N 0.93 0.58 -0.11 1.13 2.02 -0.53 -1.51 112.91 115.42 3f45 h THR 82 Ca 0.21 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.34 3f45 h THR 82 Cb 0.26 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3f45 h THR 82 CO -0.01 0.00 -0.14 0.11 0.37 0.00 0.00 175.52 175.84 3f45 h LYS 83 N -0.33 0.17 -0.70 6.66 1.57 -0.61 -0.37 116.57 122.97 3f45 h LYS 83 Ca 0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3f45 h LYS 83 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3f45 h LYS 83 CO -0.13 0.33 0.24 1.15 -0.57 0.00 0.00 179.45 180.47 3f45 h THR 84 N 0.16 1.25 -0.19 -0.16 2.02 -0.68 0.63 112.91 115.95 3f45 h THR 84 Ca 0.03 -0.85 -0.19 0.00 0.77 0.00 0.00 66.41 66.18 3f45 h THR 84 Cb 0.36 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3f45 h THR 84 CO 0.02 0.33 -0.61 0.25 0.37 0.00 0.00 175.52 175.88 3f45 h LEU 85 N 1.02 0.87 -0.45 2.58 5.85 -0.89 -1.65 115.31 122.63 3f45 h LEU 85 Ca 0.23 -0.59 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3f45 h LEU 85 Cb 0.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3f45 h LEU 85 CO -0.01 1.31 0.25 -0.03 -0.34 0.00 0.00 178.44 179.62 3f45 h MET 86 N 0.48 0.49 -0.92 1.25 4.05 -1.01 0.28 114.93 119.55 3f45 h MET 86 Ca -0.02 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 3f45 h MET 86 Cb 1.24 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.86 3f45 h MET 86 CO 0.13 0.33 0.58 0.00 0.23 0.00 0.00 176.91 178.17 3f45 h ALA 87 N 1.22 1.28 -0.41 0.39 0.00 -0.77 0.13 119.26 121.10 3f45 h ALA 87 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3f45 h ALA 87 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3f45 h ALA 87 CO -0.10 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.34 3f45 h ALA 88 N 1.44 0.57 0.01 0.00 0.00 -0.59 -3.37 119.26 117.32 3f45 h ALA 88 Ca 0.41 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 3f45 h ALA 88 Cb 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3f45 h ALA 88 CO -0.19 0.47 -1.80 0.41 0.00 0.00 0.00 179.25 178.14 3f45 n GLY 89 N -0.16 -0.94 3.23 0.00 0.00 0.02 -4.68 105.19 102.66 3f45 n GLY 89 Ca -0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3f45 n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3f45 n ASP 90 N -3.08 4.81 0.26 1.61 2.03 0.42 -4.75 116.55 117.86 3f45 n ASP 90 Ca -0.20 -2.95 0.15 0.00 0.52 0.00 0.00 54.79 52.30 3f45 n ASP 90 Cb 1.06 -1.63 0.61 0.00 -0.72 0.00 0.00 41.12 40.44 3f45 n ASP 90 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3f45 h LYS 91 N 6.77 0.00 -0.03 -0.67 6.56 -1.86 -2.77 116.57 124.58 3f45 h LYS 91 Ca 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 3f45 h LYS 91 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 3f45 h LYS 91 CO 1.53 0.08 0.00 -0.40 -2.06 0.00 0.00 179.45 178.60 3f45 n ASP 92 N -3.22 2.90 -0.93 0.86 5.68 -1.26 -4.97 116.55 115.60 3f45 n ASP 92 Ca 0.00 -1.97 -0.11 0.00 -0.50 0.00 0.00 54.79 52.21 3f45 n ASP 92 Cb 0.34 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 3f45 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f45 n GLY 93 N 1.34 1.06 0.42 6.12 0.00 -1.04 -4.90 105.19 108.18 3f45 n GLY 93 Ca 0.14 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.75 3f45 n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f45 n ASP 94 N 0.13 1.23 -0.09 1.61 5.75 -1.26 -4.93 116.55 118.99 3f45 n ASP 94 Ca -0.12 -1.77 -0.01 0.00 -0.01 0.00 0.00 54.79 52.88 3f45 n ASP 94 Cb 0.41 -0.11 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3f45 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f45 n GLY 95 N 0.98 0.50 3.43 6.12 0.00 -1.26 -5.00 105.19 109.96 3f45 n GLY 95 Ca 0.13 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3f45 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f45 s LYS 96 N -1.03 1.38 -0.22 1.61 -2.85 -1.26 -4.30 119.74 113.07 3f45 s LYS 96 Ca 0.00 -1.34 -0.03 0.00 -1.00 0.00 0.00 55.97 53.60 3f45 s LYS 96 Cb 0.00 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 3f45 s LYS 96 CO 0.00 -0.53 -0.07 0.42 0.10 0.00 0.00 175.35 175.27 3f45 s ILE 97 N -4.05 3.05 0.33 3.79 1.01 -0.09 -4.69 121.20 120.55 3f45 s ILE 97 Ca 0.26 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3f45 s ILE 97 Cb 0.02 -2.42 0.07 0.00 0.01 0.00 0.00 42.46 40.14 3f45 s ILE 97 CO 0.08 0.38 0.46 0.61 0.00 0.00 0.00 174.94 176.46 3f45 n GLY 98 N 4.74 0.16 0.22 6.18 0.00 -1.26 0.30 105.19 115.53 3f45 n GLY 98 Ca -0.18 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 3f45 n GLY 98 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f45 h VAL 99 N -0.71 0.64 -0.66 1.61 2.07 -2.00 0.24 116.25 117.44 3f45 h VAL 99 Ca -0.15 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3f45 h VAL 99 Cb 0.51 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3f45 h VAL 99 CO 0.14 0.01 0.32 -0.08 0.02 0.00 0.00 177.57 177.98 3f45 h GLU 100 N -0.51 0.55 -0.62 1.57 4.57 -1.97 -0.44 114.58 117.73 3f45 h GLU 100 Ca -0.05 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 3f45 h GLU 100 Cb 0.39 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3f45 h GLU 100 CO 0.08 0.37 0.09 0.93 -1.18 0.00 0.00 179.01 179.30 3f45 h GLU 101 N 0.57 1.03 -0.20 1.92 5.08 -1.80 0.66 114.58 121.84 3f45 h GLU 101 Ca 0.31 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3f45 h GLU 101 Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3f45 h GLU 101 CO -0.24 0.97 0.08 0.35 -1.00 0.00 0.00 179.01 179.16 3f45 h PHE 102 N 0.94 0.30 -0.96 4.33 3.57 -0.32 0.44 116.94 125.23 3f45 h PHE 102 Ca 0.19 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3f45 h PHE 102 Cb 0.44 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 3f45 h PHE 102 CO 0.03 0.34 0.63 0.77 -2.23 0.00 0.00 178.31 177.85 3f45 h SER 103 N 0.17 1.02 -0.44 0.41 0.02 -0.84 -1.81 113.55 112.08 3f45 h SER 103 Ca 0.07 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3f45 h SER 103 Cb 0.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3f45 h SER 103 CO -0.01 0.68 0.17 0.74 -1.14 0.00 0.00 176.83 177.27 3f45 h THR 104 N 1.17 1.20 -0.68 -2.27 2.02 -0.48 0.20 112.91 114.07 3f45 h THR 104 Ca 0.40 -0.64 0.12 0.00 0.77 0.00 0.00 66.41 67.05 3f45 h THR 104 Cb 0.09 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3f45 h THR 104 CO -0.14 0.23 0.26 0.25 0.37 0.00 0.00 175.52 176.49 3f45 h LEU 105 N 0.57 0.24 -0.27 2.58 5.85 -0.42 0.29 115.31 124.15 3f45 h LEU 105 Ca 0.15 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 3f45 h LEU 105 Cb 0.20 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3f45 h LEU 105 CO -0.01 0.12 -0.22 0.58 -0.34 0.00 0.00 178.44 178.57 3f45 h VAL 106 N 0.42 1.31 -0.49 1.05 2.07 -0.94 -2.92 116.25 116.74 3f45 h VAL 106 Ca 0.36 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3f45 h VAL 106 Cb 0.49 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3f45 h VAL 106 CO -0.36 0.43 0.22 0.00 0.02 0.00 0.00 177.57 177.89 3f45 h ALA 107 N 0.71 1.47 -0.00 1.67 0.00 0.05 -1.95 119.26 121.20 3f45 h ALA 107 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f45 h ALA 107 Cb 0.77 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3f45 h ALA 107 CO 0.06 0.42 -0.03 0.39 0.00 0.00 0.00 179.25 180.09 3f45 n GLU 108 N -4.37 0.43 0.00 0.00 1.02 0.94 -5.08 120.64 113.59 3f45 n GLU 108 Ca 0.04 -0.04 0.15 0.00 -0.02 0.00 0.00 57.16 57.30 3f45 n GLU 108 Cb 0.13 -1.50 0.91 0.00 -0.02 0.00 0.00 31.44 30.97 3f45 n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74