#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6c s LEU 1 N 0.00 3.10 0.20 1.04 1.02 -1.24 -4.90 118.68 117.91 3f6c s LEU 1 Ca 0.00 1.38 0.05 0.00 0.02 0.00 0.00 54.13 55.58 3f6c s LEU 1 Cb 0.00 -4.32 -0.05 0.00 0.02 0.00 0.00 46.19 41.84 3f6c s LEU 1 CO 0.00 -1.13 -0.06 0.54 0.02 0.00 0.00 176.35 175.72 3f6c s ASN 2 N -4.14 1.96 0.05 2.29 2.20 -1.26 -1.09 114.94 114.95 3f6c s ASN 2 Ca 0.57 -1.12 -0.05 0.00 -0.94 0.00 0.00 52.86 51.31 3f6c s ASN 2 Cb -0.12 -0.02 -0.01 0.00 -2.00 0.00 0.00 41.25 39.09 3f6c s ASN 2 CO 0.54 -0.40 0.09 0.00 -2.94 0.00 0.00 177.10 174.39 3f6c s ALA 3 N -3.31 0.01 -0.07 3.54 0.00 0.65 -1.23 121.76 121.36 3f6c s ALA 3 Ca 0.24 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3f6c s ALA 3 Cb 0.04 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 3f6c s ALA 3 CO 0.06 -0.36 -0.24 0.42 0.00 0.00 0.00 175.76 175.64 3f6c s ILE 4 N -3.06 2.18 -0.24 0.00 1.01 0.06 -0.34 121.20 120.80 3f6c s ILE 4 Ca -0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 3f6c s ILE 4 Cb 0.02 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3f6c s ILE 4 CO -0.07 0.57 0.15 -0.63 0.00 0.00 0.00 174.94 174.96 3f6c s ILE 5 N -0.13 5.24 -0.40 2.92 1.01 -0.90 -1.35 121.20 127.59 3f6c s ILE 5 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3f6c s ILE 5 Cb -0.14 -3.45 0.11 0.00 0.01 0.00 0.00 42.46 38.99 3f6c s ILE 5 CO 0.04 0.33 0.13 -0.63 0.00 0.00 0.00 174.94 174.82 3f6c s ILE 6 N 1.19 2.57 -0.28 2.92 1.01 0.11 -0.64 121.20 128.08 3f6c s ILE 6 Ca 0.07 -2.52 -0.19 0.00 0.00 0.00 0.00 60.65 58.02 3f6c s ILE 6 Cb -0.14 -2.84 0.10 0.00 0.01 0.00 0.00 42.46 39.59 3f6c s ILE 6 CO 0.05 -0.67 0.82 -0.62 0.00 0.00 0.00 174.94 174.53 3f6c s ASP 7 N 0.81 -0.72 0.00 3.58 -1.08 -0.43 -0.69 116.67 118.13 3f6c s ASP 7 Ca 0.12 1.22 0.24 0.00 -0.52 0.00 0.00 52.55 53.60 3f6c s ASP 7 Cb -0.21 1.28 0.48 0.00 -1.46 0.00 0.00 42.92 43.01 3f6c s ASP 7 CO -0.06 -0.20 1.42 -0.90 0.52 0.00 0.00 175.17 175.96 3f6c n ASP 8 N 3.62 2.75 -4.54 -0.34 5.75 -1.26 -4.42 116.55 118.10 3f6c n ASP 8 Ca -0.18 -1.88 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 3f6c n ASP 8 Cb 0.58 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 3f6c n ASP 8 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3f6c s HIS 9 N -1.80 3.07 0.25 2.11 3.76 -1.26 -4.96 115.29 116.46 3f6c s HIS 9 Ca 0.34 0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 55.31 3f6c s HIS 9 Cb 0.21 -3.38 0.48 0.00 1.11 0.00 0.00 32.58 31.00 3f6c s HIS 9 CO 0.31 -0.84 1.66 -1.35 -0.85 0.00 0.00 174.74 173.67 3f6c h PRO 10 N 8.79 0.18 -0.26 8.40 0.11 -2.00 -0.76 132.00 146.47 3f6c h PRO 10 Ca -0.25 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 3f6c h PRO 10 Cb 1.10 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3f6c h PRO 10 CO 0.90 0.12 -0.15 1.25 -0.21 0.00 0.00 178.00 179.91 3f6c h LEU 11 N 0.19 0.59 -0.90 2.35 5.85 -2.01 -2.70 115.31 118.69 3f6c h LEU 11 Ca 0.43 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3f6c h LEU 11 Cb 0.77 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3f6c h LEU 11 CO -0.59 0.89 0.18 0.00 -0.34 0.00 0.00 178.44 178.58 3f6c h ALA 12 N 0.72 1.11 -0.26 1.25 0.00 -1.91 -1.70 119.26 118.48 3f6c h ALA 12 Ca 0.06 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3f6c h ALA 12 Cb 0.67 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3f6c h ALA 12 CO 0.04 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.60 3f6c h ILE 13 N 0.95 0.63 -0.54 0.00 2.04 -0.99 0.16 117.51 119.75 3f6c h ILE 13 Ca 0.21 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 3f6c h ILE 13 Cb 0.30 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3f6c h ILE 13 CO -0.00 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.34 3f6c h ALA 14 N 1.14 0.71 -0.58 1.87 0.00 -1.24 -0.61 119.26 120.54 3f6c h ALA 14 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3f6c h ALA 14 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3f6c h ALA 14 CO -0.31 0.35 0.09 0.00 0.00 0.00 0.00 179.25 179.38 3f6c h ALA 15 N 1.05 0.76 -0.28 0.00 0.00 -0.97 -0.70 119.26 119.12 3f6c h ALA 15 Ca 0.18 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3f6c h ALA 15 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f6c h ALA 15 CO -0.01 0.52 -0.14 0.82 0.00 0.00 0.00 179.25 180.44 3f6c h ILE 16 N 0.85 1.30 -0.46 0.00 2.04 -0.54 -1.18 117.51 119.51 3f6c h ILE 16 Ca 0.17 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3f6c h ILE 16 Cb 0.42 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3f6c h ILE 16 CO 0.01 0.39 0.25 -0.09 0.00 0.00 0.00 178.15 178.71 3f6c h ARG 17 N 0.33 0.49 -0.14 2.37 2.43 -0.96 -0.49 114.38 118.41 3f6c h ARG 17 Ca 0.06 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3f6c h ARG 17 Cb 0.65 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3f6c h ARG 17 CO 0.04 0.32 -0.25 -0.91 -1.51 0.00 0.00 179.97 177.66 3f6c h ASN 18 N 0.50 0.25 -0.25 -3.80 2.35 -1.03 -1.38 115.58 112.22 3f6c h ASN 18 Ca 0.19 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3f6c h ASN 18 Cb 0.07 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3f6c h ASN 18 CO -0.12 0.51 -0.11 0.25 -1.65 0.00 0.00 177.43 176.32 3f6c h LEU 19 N 0.23 0.53 -0.34 1.61 5.85 -0.58 -1.87 115.31 120.75 3f6c h LEU 19 Ca 0.04 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3f6c h LEU 19 Cb 0.58 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3f6c h LEU 19 CO 0.04 0.81 0.14 -0.07 -0.34 0.00 0.00 178.44 179.03 3f6c h LEU 20 N 0.25 0.45 -0.71 2.25 3.38 -0.76 -2.30 115.31 117.88 3f6c h LEU 20 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3f6c h LEU 20 Cb 0.60 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3f6c h LEU 20 CO 0.03 0.48 0.31 0.40 0.09 0.00 0.00 178.44 179.75 3f6c h ILE 21 N 0.40 1.24 -0.09 1.22 2.04 -1.24 -0.66 117.51 120.43 3f6c h ILE 21 Ca 0.11 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3f6c h ILE 21 Cb 0.16 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3f6c h ILE 21 CO -0.01 0.29 0.08 0.50 0.00 0.00 0.00 178.15 179.01 3f6c h LYS 22 N 1.00 0.00 -0.62 2.37 3.64 -1.09 -2.28 116.57 119.59 3f6c h LYS 22 Ca 0.24 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.42 3f6c h LYS 22 Cb 0.17 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.87 3f6c h LYS 22 CO -0.02 0.00 0.20 0.09 -2.27 0.00 0.00 179.45 177.45 3f6c n ASN 23 N -4.18 4.27 -3.70 4.20 3.02 -0.36 -4.94 115.26 113.56 3f6c n ASN 23 Ca -0.01 -3.30 -0.26 0.00 -0.03 0.00 0.00 54.58 50.98 3f6c n ASN 23 Cb 0.19 -0.70 0.06 0.00 -0.61 0.00 0.00 39.78 38.71 3f6c n ASN 23 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3f6c n ASP 24 N -0.43 -5.90 -4.32 6.41 2.03 -0.86 -4.98 116.55 108.50 3f6c n ASP 24 Ca 0.38 -0.62 -0.33 0.00 0.52 0.00 0.00 54.79 54.74 3f6c n ASP 24 Cb 1.28 -4.66 -0.15 0.00 -0.72 0.00 0.00 41.12 36.87 3f6c n ASP 24 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3f6c s ILE 25 N -3.31 2.88 0.18 5.18 1.01 -0.55 -3.67 121.20 122.92 3f6c s ILE 25 Ca 0.62 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 3f6c s ILE 25 Cb -0.28 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 3f6c s ILE 25 CO 0.76 0.51 0.66 -1.61 0.00 0.00 0.00 174.94 175.26 3f6c s GLU 26 N 0.63 4.17 -0.34 2.79 2.02 -0.25 -3.67 118.70 124.05 3f6c s GLU 26 Ca -0.08 0.75 -0.13 0.00 0.02 0.00 0.00 54.97 55.53 3f6c s GLU 26 Cb -0.16 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 3f6c s GLU 26 CO 0.03 0.45 0.24 0.42 0.02 0.00 0.00 175.26 176.42 3f6c s ILE 27 N -1.45 5.25 0.11 -1.63 1.09 -1.26 -0.25 121.20 123.06 3f6c s ILE 27 Ca 0.40 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.73 3f6c s ILE 27 Cb -0.17 -3.71 -0.22 0.00 -1.06 0.00 0.00 42.46 37.30 3f6c s ILE 27 CO 0.20 -0.03 1.26 -0.07 -0.10 0.00 0.00 174.94 176.20 3f6c h LEU 28 N 8.49 0.10 -7.00 2.97 3.38 -1.06 -3.48 115.31 118.72 3f6c h LEU 28 Ca -0.31 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.59 3f6c h LEU 28 Cb 1.15 -0.03 -0.19 0.00 0.09 0.00 0.00 40.66 41.68 3f6c h LEU 28 CO 0.64 1.07 0.39 0.00 0.09 0.00 0.00 178.44 180.64 3f6c s ALA 29 N -2.73 -1.82 -0.12 1.53 0.00 -1.25 -5.06 121.76 112.30 3f6c s ALA 29 Ca -0.00 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.23 3f6c s ALA 29 Cb 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3f6c s ALA 29 CO 0.83 -0.46 -0.14 -1.21 0.00 0.00 0.00 175.76 174.78 3f6c s GLU 30 N -1.87 2.15 0.05 0.00 2.02 -1.26 -2.13 118.70 117.67 3f6c s GLU 30 Ca -0.03 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 54.50 3f6c s GLU 30 Cb -0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 3f6c s GLU 30 CO 0.00 -0.15 -0.13 -0.51 0.02 0.00 0.00 175.26 174.50 3f6c s LEU 31 N 1.24 2.89 -0.02 1.80 1.02 0.19 -5.00 118.68 120.80 3f6c s LEU 31 Ca -0.01 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 53.82 3f6c s LEU 31 Cb -0.14 -1.69 0.05 0.00 0.02 0.00 0.00 46.19 44.43 3f6c s LEU 31 CO -0.06 0.24 1.01 0.35 0.02 0.00 0.00 176.35 177.91 3f6c n THR 32 N 1.28 1.10 -3.74 5.49 -2.24 -1.26 -1.32 114.28 113.60 3f6c n THR 32 Ca -0.15 -1.16 -0.10 0.00 -2.27 0.00 0.00 64.05 60.37 3f6c n THR 32 Cb 0.52 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 3f6c n THR 32 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3f6c s GLU 33 N -1.26 1.28 0.00 -0.78 4.04 -1.26 -4.36 118.70 116.36 3f6c s GLU 33 Ca 0.05 -0.86 0.22 0.00 0.04 0.00 0.00 54.97 54.42 3f6c s GLU 33 Cb 0.04 0.49 -0.06 0.00 0.02 0.00 0.00 34.13 34.62 3f6c s GLU 33 CO 0.00 -0.52 1.00 0.41 -1.84 0.00 0.00 175.26 174.31 3f6c n GLY 34 N -0.30 -1.06 0.37 -3.83 0.00 0.30 -4.38 105.19 96.29 3f6c n GLY 34 Ca -0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 3f6c n GLY 34 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f6c h GLY 35 N 4.94 1.29 -2.10 -0.02 0.00 -1.81 -2.73 103.07 102.64 3f6c h GLY 35 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3f6c h GLY 35 CO 0.00 0.46 0.00 1.44 0.00 0.00 0.00 176.54 178.44 3f6c n SER 36 N -4.40 3.33 0.16 0.19 7.64 -1.26 -4.71 113.62 114.58 3f6c n SER 36 Ca 0.11 -1.95 -0.14 0.00 1.01 0.00 0.00 58.87 57.90 3f6c n SER 36 Cb 0.03 -0.26 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 3f6c n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f6c h ALA 37 N 3.90 -0.35 -0.30 -0.43 0.00 -1.69 -0.73 119.26 119.67 3f6c h ALA 37 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3f6c h ALA 37 Cb 0.91 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3f6c h ALA 37 CO 0.00 -0.70 0.12 0.28 0.00 0.00 0.00 179.25 178.96 3f6c h VAL 38 N -0.35 0.94 -0.81 0.00 2.07 -1.84 0.04 116.25 116.30 3f6c h VAL 38 Ca -0.03 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3f6c h VAL 38 Cb 0.27 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3f6c h VAL 38 CO 0.05 0.05 0.54 -0.61 0.02 0.00 0.00 177.57 177.61 3f6c h GLN 39 N 0.27 1.06 -0.27 1.57 5.75 -1.83 0.48 115.11 122.14 3f6c h GLN 39 Ca 0.13 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.41 3f6c h GLN 39 Cb 0.08 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 3f6c h GLN 39 CO -0.12 0.70 -0.49 0.00 -2.65 0.00 0.00 178.83 176.27 3f6c h ARG 40 N 1.09 0.73 -0.34 1.69 2.47 -0.62 -1.39 114.38 118.00 3f6c h ARG 40 Ca 0.30 -0.43 -0.04 0.00 -1.26 0.00 0.00 59.98 58.56 3f6c h ARG 40 Cb -0.10 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3f6c h ARG 40 CO -0.07 1.05 0.06 0.28 0.56 0.00 0.00 179.97 181.85 3f6c h VAL 41 N 0.58 1.23 -0.01 2.04 2.07 -0.67 -0.22 116.25 121.27 3f6c h VAL 41 Ca 0.03 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3f6c h VAL 41 Cb 1.05 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3f6c h VAL 41 CO 0.10 0.27 -0.28 -0.33 0.02 0.00 0.00 177.57 177.35 3f6c h GLU 42 N 0.40 0.01 0.11 1.57 5.08 -0.70 -1.06 114.58 119.99 3f6c h GLU 42 Ca 0.11 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 3f6c h GLU 42 Cb 0.34 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3f6c h GLU 42 CO 0.01 0.29 -0.96 1.15 -1.00 0.00 0.00 179.01 178.49 3f6c h THR 43 N 0.01 1.34 0.00 1.13 2.02 -1.15 -3.38 112.91 112.88 3f6c h THR 43 Ca -0.00 -2.45 -0.05 0.00 0.77 0.00 0.00 66.41 64.68 3f6c h THR 43 Cb 0.50 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 3f6c h THR 43 CO 0.04 0.68 -0.41 -0.07 0.37 0.00 0.00 175.52 176.13 3f6c h LEU 44 N -0.45 0.00 -2.52 2.58 3.38 -1.04 -3.49 115.31 113.77 3f6c h LEU 44 Ca -0.20 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.42 3f6c h LEU 44 Cb 1.60 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.47 3f6c h LEU 44 CO 0.08 0.23 -0.88 0.29 0.09 0.00 0.00 178.44 178.25 3f6c n LYS 45 N -3.08 -2.74 -1.93 1.13 5.02 -0.40 -4.98 118.16 111.17 3f6c n LYS 45 Ca 0.02 0.66 -0.33 0.00 -2.02 0.00 0.00 58.31 56.64 3f6c n LYS 45 Cb 0.63 -5.07 0.02 0.00 -0.02 0.00 0.00 35.03 30.59 3f6c n LYS 45 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3f6c s PRO 46 N -5.38 3.17 0.26 1.97 0.04 -1.26 -4.95 135.00 128.85 3f6c s PRO 46 Ca 0.33 1.21 0.11 0.00 0.04 0.00 0.00 61.00 62.70 3f6c s PRO 46 Cb -0.08 -2.01 0.30 0.00 0.04 0.00 0.00 34.50 32.75 3f6c s PRO 46 CO 0.80 -0.93 1.57 -0.44 0.04 0.00 0.00 177.00 178.04 3f6c h ASP 47 N 0.23 0.00 -3.80 6.66 3.32 -1.55 -3.45 116.42 117.83 3f6c h ASP 47 Ca -0.46 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.19 3f6c h ASP 47 Cb 1.22 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.47 3f6c h ASP 47 CO 0.57 0.65 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.33 3f6c s ILE 48 N -3.46 0.63 -0.09 0.35 1.01 -0.64 -0.88 121.20 118.13 3f6c s ILE 48 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3f6c s ILE 48 Cb 0.12 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 42.03 3f6c s ILE 48 CO 0.76 0.20 -0.14 -0.69 0.00 0.00 0.00 174.94 175.07 3f6c s VAL 49 N 0.21 1.36 -0.21 2.92 1.01 0.62 -0.76 120.40 125.54 3f6c s VAL 49 Ca -0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3f6c s VAL 49 Cb -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3f6c s VAL 49 CO 0.00 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.87 3f6c s ILE 50 N 0.78 3.82 -0.12 2.22 1.01 -0.45 -0.97 121.20 127.49 3f6c s ILE 50 Ca -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3f6c s ILE 50 Cb -0.16 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.60 3f6c s ILE 50 CO 0.02 0.42 -0.12 -0.63 0.00 0.00 0.00 174.94 174.63 3f6c s ILE 51 N 1.21 1.31 0.18 2.92 1.01 -0.16 0.06 121.20 127.72 3f6c s ILE 51 Ca 0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 3f6c s ILE 51 Cb -0.15 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.00 3f6c s ILE 51 CO 0.01 0.41 1.02 -0.62 0.00 0.00 0.00 174.94 175.76 3f6c s ASP 52 N 1.43 7.42 0.53 3.58 2.15 0.13 -0.73 116.67 131.18 3f6c s ASP 52 Ca 0.02 1.99 0.23 0.00 0.43 0.00 0.00 52.55 55.21 3f6c s ASP 52 Cb -0.13 -2.60 1.36 0.00 -0.30 0.00 0.00 42.92 41.25 3f6c s ASP 52 CO -0.07 -0.09 2.03 0.58 -0.17 0.00 0.00 175.17 177.45 3f6c h VAL 53 N 3.64 0.80 -0.44 1.11 2.07 -1.55 -2.52 116.25 119.36 3f6c h VAL 53 Ca -0.44 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3f6c h VAL 53 Cb 1.21 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3f6c h VAL 53 CO 0.71 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.77 3f6c n ASP 54 N -4.42 4.86 -4.70 0.57 8.00 -1.26 -4.21 116.55 115.39 3f6c n ASP 54 Ca 0.07 -2.93 -0.43 0.00 0.71 0.00 0.00 54.79 52.20 3f6c n ASP 54 Cb 0.49 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3f6c n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6c n ILE 55 N 0.16 0.66 -1.25 0.53 0.13 -0.95 -4.95 119.36 113.69 3f6c n ILE 55 Ca 0.25 -0.16 -0.29 0.00 -1.10 0.00 0.00 62.75 61.45 3f6c n ILE 55 Cb 1.04 -1.74 0.17 0.00 -0.84 0.00 0.00 39.64 38.28 3f6c n ILE 55 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 3f6c s PRO 56 N 0.04 0.53 4.37 9.51 0.02 -1.26 -4.45 135.00 143.75 3f6c s PRO 56 Ca 0.70 0.45 0.00 0.00 0.02 0.00 0.00 61.00 62.16 3f6c s PRO 56 Cb -0.58 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3f6c s PRO 56 CO 0.44 -2.65 0.00 0.41 -0.33 0.00 0.00 177.00 174.87 3f6c n GLY 57 N -1.33 0.85 3.68 0.52 0.00 -1.26 -0.54 105.19 107.12 3f6c n GLY 57 Ca 0.05 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 3f6c n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f6c n VAL 58 N 0.00 0.20 -1.62 1.61 0.31 -1.26 -4.81 118.33 112.75 3f6c n VAL 58 Ca 0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 3f6c n VAL 58 Cb 0.00 -1.80 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 3f6c n VAL 58 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3f6c n ASN 59 N 4.65 1.72 -0.32 4.52 2.85 -1.26 -4.12 115.26 123.30 3f6c n ASN 59 Ca 0.18 1.16 -0.00 0.00 -0.11 0.00 0.00 54.58 55.81 3f6c n ASN 59 Cb 0.32 -1.36 0.12 0.00 1.24 0.00 0.00 39.78 40.10 3f6c n ASN 59 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3f6c h GLY 60 N 2.08 1.28 1.68 8.20 0.00 -1.78 0.19 103.07 114.72 3f6c h GLY 60 Ca -0.42 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 3f6c h GLY 60 CO 0.60 0.33 -0.40 -2.22 0.00 0.00 0.00 176.54 174.85 3f6c h ILE 61 N 1.05 1.30 -0.86 2.60 2.04 -1.89 -2.06 117.51 119.69 3f6c h ILE 61 Ca 0.36 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 3f6c h ILE 61 Cb 0.07 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3f6c h ILE 61 CO -0.14 0.46 0.42 -0.61 0.00 0.00 0.00 178.15 178.29 3f6c h GLN 62 N 0.29 1.24 -0.38 2.37 5.75 -1.67 0.08 115.11 122.80 3f6c h GLN 62 Ca 0.03 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3f6c h GLN 62 Cb 0.83 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 3f6c h GLN 62 CO 0.07 0.95 0.20 0.28 -2.65 0.00 0.00 178.83 177.67 3f6c h VAL 63 N 1.23 1.00 -0.32 2.39 2.07 -0.57 0.01 116.25 122.07 3f6c h VAL 63 Ca 0.30 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.73 3f6c h VAL 63 Cb 0.11 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3f6c h VAL 63 CO -0.04 0.08 0.02 0.25 0.02 0.00 0.00 177.57 177.90 3f6c h LEU 64 N 0.41 -0.07 -0.77 2.57 5.85 -0.98 -0.60 115.31 121.73 3f6c h LEU 64 Ca 0.16 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3f6c h LEU 64 Cb 0.04 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3f6c h LEU 64 CO -0.09 -0.00 0.16 -0.33 -0.34 0.00 0.00 178.44 177.84 3f6c h GLU 65 N 0.12 1.09 -0.38 1.25 5.08 -0.48 -1.57 114.58 119.70 3f6c h GLU 65 Ca 0.15 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 3f6c h GLU 65 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3f6c h GLU 65 CO -0.23 0.97 -0.30 1.15 -1.00 0.00 0.00 179.01 179.59 3f6c h THR 66 N 1.04 1.28 -0.49 1.13 2.02 -0.78 -0.26 112.91 116.85 3f6c h THR 66 Ca 0.22 -1.45 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 3f6c h THR 66 Cb 0.37 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3f6c h THR 66 CO 0.00 0.48 0.07 -0.07 0.37 0.00 0.00 175.52 176.37 3f6c h LEU 67 N 0.69 0.78 -0.82 2.58 3.38 -0.77 0.41 115.31 121.56 3f6c h LEU 67 Ca 0.08 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3f6c h LEU 67 Cb 0.84 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3f6c h LEU 67 CO 0.07 0.85 0.06 0.03 0.09 0.00 0.00 178.44 179.55 3f6c h ARG 68 N 0.69 0.95 -0.61 1.13 2.47 -1.12 -0.44 114.38 117.45 3f6c h ARG 68 Ca 0.15 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3f6c h ARG 68 Cb 0.41 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 3f6c h ARG 68 CO 0.01 0.90 0.38 -0.22 0.56 0.00 0.00 179.97 181.60 3f6c h LYS 69 N 0.89 0.82 -0.60 0.04 3.64 -0.54 -1.64 116.57 119.18 3f6c h LYS 69 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3f6c h LYS 69 Cb 0.43 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3f6c h LYS 69 CO 0.01 0.57 0.00 0.54 -2.27 0.00 0.00 179.45 178.30 3f6c n ARG 70 N -4.42 2.46 -1.48 1.90 1.74 0.09 -4.90 116.66 112.06 3f6c n ARG 70 Ca 0.06 -1.47 -0.06 0.00 -0.77 0.00 0.00 57.85 55.62 3f6c n ARG 70 Cb 0.06 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.87 3f6c n ARG 70 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3f6c n GLN 71 N 0.43 -0.42 -2.20 5.56 1.13 -0.62 -4.99 117.38 116.28 3f6c n GLN 71 Ca 0.13 0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 55.33 3f6c n GLN 71 Cb 0.54 -4.33 -0.03 0.00 0.11 0.00 0.00 30.24 26.53 3f6c n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3f6c s TYR 72 N -2.24 2.98 -0.99 1.08 5.04 -0.22 -4.90 117.35 118.10 3f6c s TYR 72 Ca 0.00 0.86 0.11 0.00 -2.44 0.00 0.00 57.07 55.60 3f6c s TYR 72 Cb 0.00 -3.67 0.28 0.00 0.35 0.00 0.00 41.96 38.92 3f6c s TYR 72 CO 0.00 -2.44 1.20 0.43 -1.34 0.00 0.00 175.55 173.40 3f6c n SER 73 N 4.86 2.79 -2.04 4.32 7.64 -1.26 -4.59 113.62 125.34 3f6c n SER 73 Ca 0.12 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.08 3f6c n SER 73 Cb 0.43 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3f6c n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f6c n GLY 74 N 0.53 -0.32 3.66 0.23 0.00 -1.26 -5.03 105.19 103.00 3f6c n GLY 74 Ca 0.11 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 3f6c n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6c s ILE 75 N -0.34 5.04 -0.17 -0.61 1.01 -0.06 -4.96 121.20 121.10 3f6c s ILE 75 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 60.65 61.81 3f6c s ILE 75 Cb 0.00 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3f6c s ILE 75 CO 0.00 0.13 -0.19 -0.63 0.00 0.00 0.00 174.94 174.24 3f6c s ILE 76 N 1.83 2.17 -0.18 2.92 1.01 -1.26 -0.28 121.20 127.41 3f6c s ILE 76 Ca 0.28 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 3f6c s ILE 76 Cb -0.16 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 3f6c s ILE 76 CO 0.10 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.83 3f6c s ILE 77 N 1.17 2.84 0.04 2.92 -1.09 -0.14 -0.50 121.20 126.45 3f6c s ILE 77 Ca 0.02 -0.69 -0.22 0.00 -2.23 0.00 0.00 60.65 57.53 3f6c s ILE 77 Cb -0.14 -2.24 -0.06 0.00 -1.58 0.00 0.00 42.46 38.44 3f6c s ILE 77 CO -0.09 0.48 0.65 -0.63 -1.23 0.00 0.00 174.94 174.12 3f6c s ILE 78 N 1.15 4.78 0.15 2.92 -1.09 -0.43 -0.99 121.20 127.68 3f6c s ILE 78 Ca 0.01 1.37 0.09 0.00 -2.23 0.00 0.00 60.65 59.89 3f6c s ILE 78 Cb -0.14 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3f6c s ILE 78 CO -0.04 0.45 -0.20 0.68 -1.23 0.00 0.00 174.94 174.60 3f6c s VAL 79 N -0.45 1.88 0.01 2.92 -7.23 0.09 -0.96 120.40 116.66 3f6c s VAL 79 Ca 0.33 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3f6c s VAL 79 Cb -0.19 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 3f6c s VAL 79 CO 0.20 -0.21 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.21 3f6c s SER 80 N -2.46 0.14 0.20 4.85 0.15 -0.69 -1.30 113.70 114.61 3f6c s SER 80 Ca 0.14 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 3f6c s SER 80 Cb -0.07 0.06 0.15 0.00 -1.71 0.00 0.00 66.02 64.45 3f6c s SER 80 CO 0.06 -0.18 1.61 0.00 1.20 0.00 0.00 173.24 175.93 3f6c h ALA 81 N 5.24 0.83 -3.00 5.45 0.00 -1.96 0.47 119.26 126.30 3f6c h ALA 81 Ca -0.29 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3f6c h ALA 81 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3f6c h ALA 81 CO 0.45 0.64 0.00 1.63 0.00 0.00 0.00 179.25 181.97 3f6c n LYS 82 N -4.11 2.21 0.00 0.00 5.02 -1.26 -3.72 118.16 116.31 3f6c n LYS 82 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f6c n LYS 82 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3f6c n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3f6c n ASP 84 N 0.00 0.00 -1.25 4.39 5.75 -1.26 -4.52 116.55 119.66 3f6c n ASP 84 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 3f6c n ASP 84 Cb 0.00 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.38 3f6c n ASP 84 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3f6c n HIS 85 N -0.34 0.84 0.00 2.11 8.25 -1.26 -4.76 115.22 120.06 3f6c n HIS 85 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 3f6c n HIS 85 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3f6c n HIS 85 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f6c n PHE 86 N 1.51 0.00 -0.23 4.41 7.35 -1.26 -4.78 117.46 124.47 3f6c n PHE 86 Ca 0.23 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.90 3f6c n PHE 86 Cb 0.59 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.63 3f6c n PHE 86 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3f6c n TYR 87 N -2.33 1.47 -0.10 -5.13 4.01 -1.26 -3.74 117.16 110.08 3f6c n TYR 87 Ca 0.00 -0.71 -0.13 0.00 -0.16 0.00 0.00 57.90 56.90 3f6c n TYR 87 Cb 0.41 -0.45 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 3f6c n TYR 87 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3f6c h GLY 88 N 3.75 0.97 1.00 2.72 0.00 -1.93 -2.67 103.07 106.91 3f6c h GLY 88 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.41 3f6c h GLY 88 CO 0.42 0.93 0.22 1.70 0.00 0.00 0.00 176.54 179.80 3f6c h LYS 89 N 0.71 0.43 -0.64 4.80 3.64 -1.93 0.03 116.57 123.61 3f6c h LYS 89 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3f6c h LYS 89 Cb 1.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 3f6c h LYS 89 CO 0.10 0.28 0.40 1.25 -2.27 0.00 0.00 179.45 179.22 3f6c h HIS 90 N 0.44 0.82 -0.72 1.91 2.76 -1.80 0.55 115.15 119.12 3f6c h HIS 90 Ca 0.12 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3f6c h HIS 90 Cb -0.05 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.60 3f6c h HIS 90 CO -0.06 0.54 0.47 0.00 -1.30 0.00 0.00 177.93 177.58 3f6c h ALA 92 N 1.54 0.51 0.00 0.00 0.00 -0.42 -1.15 119.26 119.73 3f6c h ALA 92 Ca 0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3f6c h ALA 92 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3f6c h ALA 92 CO -0.06 0.37 -0.19 -0.44 0.00 0.00 0.00 179.25 178.93 3f6c h ASP 93 N 0.51 0.00 0.38 0.00 3.32 -0.37 -1.57 116.42 118.69 3f6c h ASP 93 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3f6c h ASP 93 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3f6c h ASP 93 CO 0.04 0.19 -0.07 0.00 -1.72 0.00 0.00 179.24 177.68 3f6c n ALA 94 N -2.43 2.68 -0.19 3.45 0.00 -0.18 -4.94 120.51 118.89 3f6c n ALA 94 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3f6c n ALA 94 Cb 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3f6c n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6c n GLY 95 N 1.26 0.89 3.77 0.00 0.00 -0.59 -4.57 105.19 105.95 3f6c n GLY 95 Ca 0.15 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3f6c n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6c s ALA 96 N -2.00 2.51 -0.46 4.61 0.00 -0.47 -4.88 121.76 121.07 3f6c s ALA 96 Ca 0.00 0.57 0.23 0.00 0.00 0.00 0.00 51.96 52.76 3f6c s ALA 96 Cb 0.00 -3.32 0.36 0.00 0.00 0.00 0.00 23.12 20.16 3f6c s ALA 96 CO 0.00 -1.20 1.55 -0.91 0.00 0.00 0.00 175.76 175.20 3f6c h ASN 97 N 0.17 0.00 -5.20 0.00 4.21 -1.12 -3.43 115.58 110.21 3f6c h ASN 97 Ca -0.47 -0.01 0.23 0.00 1.21 0.00 0.00 56.30 57.27 3f6c h ASN 97 Cb 1.25 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.32 3f6c h ASN 97 CO 0.54 0.00 0.66 -0.83 -1.29 0.00 0.00 177.43 176.52 3f6c s GLY 98 N -4.12 -0.34 -0.05 2.83 0.00 -1.15 -1.42 107.32 103.07 3f6c s GLY 98 Ca 0.06 0.71 -0.02 0.00 0.00 0.00 0.00 44.72 45.48 3f6c s GLY 98 CO 0.68 0.18 0.08 -0.12 0.00 0.00 0.00 173.10 173.93 3f6c s PHE 99 N -2.81 -0.03 -0.04 1.90 5.36 -0.77 -1.32 117.98 120.27 3f6c s PHE 99 Ca 0.11 0.33 0.03 0.00 -0.96 0.00 0.00 56.93 56.44 3f6c s PHE 99 Cb 0.01 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.39 3f6c s PHE 99 CO -0.03 -0.17 -0.13 0.08 -1.46 0.00 0.00 175.22 173.51 3f6c s VAL 100 N 1.72 1.10 -0.03 3.12 1.01 -0.13 -4.15 120.40 123.04 3f6c s VAL 100 Ca -0.02 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3f6c s VAL 100 Cb -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3f6c s VAL 100 CO -0.04 0.33 1.00 -0.44 0.00 0.00 0.00 175.10 175.95 3f6c s SER 101 N 0.30 7.32 0.08 3.32 0.01 -1.26 -1.70 113.70 121.77 3f6c s SER 101 Ca -0.07 1.64 0.23 0.00 1.31 0.00 0.00 55.95 59.06 3f6c s SER 101 Cb -0.12 -2.57 0.92 0.00 0.21 0.00 0.00 66.02 64.47 3f6c s SER 101 CO 0.02 -0.33 1.72 0.29 0.41 0.00 0.00 173.24 175.35 3f6c n LYS 102 N 4.24 0.08 -0.09 12.44 5.02 0.17 -3.78 118.16 136.23 3f6c n LYS 102 Ca 0.07 0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 3f6c n LYS 102 Cb 0.50 -1.62 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 3f6c n LYS 102 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3f6c h LYS 103 N 0.00 0.77 -0.06 1.97 1.63 -1.75 -2.72 116.57 116.41 3f6c h LYS 103 Ca 0.00 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 3f6c h LYS 103 Cb 0.44 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3f6c h LYS 103 CO 0.00 0.86 0.00 0.39 -3.45 0.00 0.00 179.45 177.25 3f6c n GLU 104 N -4.15 1.45 0.00 1.90 4.71 -1.25 -5.01 120.64 118.28 3f6c n GLU 104 Ca 0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 57.16 56.50 3f6c n GLU 104 Cb 0.38 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 3f6c n GLU 104 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3f6c n GLY 105 N 1.06 0.76 0.22 0.62 0.00 -1.03 -4.77 105.19 102.06 3f6c n GLY 105 Ca 0.18 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 44.13 3f6c n GLY 105 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3f6c h MET 106 N 0.00 0.00 -0.63 1.61 2.86 -1.93 -3.28 114.93 113.57 3f6c h MET 106 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3f6c h MET 106 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3f6c h MET 106 CO 0.00 0.00 0.42 -0.91 1.06 0.00 0.00 176.91 177.48 3f6c h ASN 107 N 0.00 0.42 0.57 1.22 -0.26 -1.99 -0.51 115.58 115.03 3f6c h ASN 107 Ca 0.00 0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 3f6c h ASN 107 Cb 0.96 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 3f6c h ASN 107 CO 0.00 0.25 -0.43 0.78 -1.06 0.00 0.00 177.43 176.97 3f6c h ASN 108 N 0.46 0.00 -0.23 5.81 -0.26 -1.89 -1.23 115.58 118.23 3f6c h ASN 108 Ca 0.29 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.98 3f6c h ASN 108 Cb 0.52 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 3f6c h ASN 108 CO -0.09 0.43 -0.04 0.40 -1.06 0.00 0.00 177.43 177.07 3f6c h ILE 109 N 0.00 1.28 -0.25 2.81 2.04 -1.31 -1.04 117.51 121.03 3f6c h ILE 109 Ca -0.00 -1.02 -0.14 0.00 1.00 0.00 0.00 64.86 64.70 3f6c h ILE 109 Cb 0.83 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3f6c h ILE 109 CO 0.06 0.32 -0.41 0.40 0.00 0.00 0.00 178.15 178.51 3f6c h ILE 110 N 0.19 1.30 -0.97 -0.67 1.08 -1.46 -1.29 117.51 115.68 3f6c h ILE 110 Ca 0.06 -1.58 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 3f6c h ILE 110 Cb 0.49 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 3f6c h ILE 110 CO 0.02 0.50 0.65 0.00 -0.69 0.00 0.00 178.15 178.63 3f6c h ALA 111 N 1.05 1.31 -0.49 1.87 0.00 -1.20 0.82 119.26 122.62 3f6c h ALA 111 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3f6c h ALA 111 Cb 0.93 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3f6c h ALA 111 CO 0.08 0.64 -0.17 0.00 0.00 0.00 0.00 179.25 179.80 3f6c h ALA 112 N 1.40 0.68 -0.50 0.00 0.00 -0.79 0.71 119.26 120.76 3f6c h ALA 112 Ca 0.36 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3f6c h ALA 112 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3f6c h ALA 112 CO -0.08 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.66 3f6c h ILE 113 N 0.83 1.26 -0.39 0.00 2.04 -0.79 -0.14 117.51 120.33 3f6c h ILE 113 Ca 0.12 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3f6c h ILE 113 Cb 0.74 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3f6c h ILE 113 CO 0.06 0.36 0.25 -0.33 0.00 0.00 0.00 178.15 178.48 3f6c h GLU 114 N 0.72 0.52 -0.19 2.37 5.08 -0.64 -0.06 114.58 122.38 3f6c h GLU 114 Ca 0.15 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3f6c h GLU 114 Cb 0.46 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3f6c h GLU 114 CO 0.02 0.37 -0.04 0.00 -1.00 0.00 0.00 179.01 178.35 3f6c h ALA 115 N 1.12 0.13 -0.55 3.43 0.00 -0.67 -2.23 119.26 120.50 3f6c h ALA 115 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3f6c h ALA 115 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f6c h ALA 115 CO -0.03 -0.47 0.12 0.00 0.00 0.00 0.00 179.25 178.87 3f6c h ALA 116 N 1.19 1.18 -0.24 0.00 0.00 -0.41 -0.11 119.26 120.87 3f6c h ALA 116 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3f6c h ALA 116 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3f6c h ALA 116 CO -0.19 0.56 0.16 0.87 0.00 0.00 0.00 179.25 180.65 3f6c h LYS 117 N 0.81 0.19 -0.06 0.00 1.57 -0.77 -2.20 116.57 116.11 3f6c h LYS 117 Ca 0.18 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3f6c h LYS 117 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3f6c h LYS 117 CO 0.00 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.10 3f6c n ASN 118 N -4.50 1.41 0.00 0.86 3.02 -0.47 -4.92 115.26 110.66 3f6c n ASN 118 Ca 0.02 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 3f6c n ASN 118 Cb 0.18 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3f6c n ASN 118 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f6c n GLY 119 N 1.14 0.78 3.43 7.41 0.00 -0.83 -5.08 105.19 112.04 3f6c n GLY 119 Ca 0.18 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 3f6c n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6c s TYR 120 N -2.00 2.18 0.30 1.61 2.02 -0.18 -4.99 117.35 116.29 3f6c s TYR 120 Ca 0.00 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.41 3f6c s TYR 120 Cb 0.00 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3f6c s TYR 120 CO 0.00 0.57 0.07 0.00 -1.57 0.00 0.00 175.55 174.62 3f6c s TYR 122 N -2.37 0.46 0.09 0.00 5.04 -0.50 -4.98 117.35 115.09 3f6c s TYR 122 Ca 0.34 -1.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.01 3f6c s TYR 122 Cb -0.04 -0.96 -0.03 0.00 0.35 0.00 0.00 41.96 41.27 3f6c s TYR 122 CO 0.21 -0.83 -0.14 -0.06 -1.34 0.00 0.00 175.55 173.39 3f6c s PHE 123 N 1.96 1.26 0.45 4.97 0.08 -1.26 -1.85 117.98 123.59 3f6c s PHE 123 Ca 0.10 -0.51 -0.24 0.00 0.12 0.00 0.00 56.93 56.40 3f6c s PHE 123 Cb -0.17 -0.69 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 3f6c s PHE 123 CO -0.33 0.08 1.21 -2.30 -0.10 0.00 0.00 175.22 173.78 3f6c n PRO 124 N 0.99 1.72 -4.40 0.24 -0.02 -1.26 -5.00 135.00 127.27 3f6c n PRO 124 Ca -0.19 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3f6c n PRO 124 Cb 0.55 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 3f6c n PRO 124 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3f6c s PHE 125 N -1.25 3.07 -0.10 6.00 5.36 -1.26 -4.95 117.98 124.85 3f6c s PHE 125 Ca 0.64 -0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.57 3f6c s PHE 125 Cb -0.50 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 3f6c s PHE 125 CO 0.56 0.20 -0.18 -1.54 -1.46 0.00 0.00 175.22 172.80 3f6c s SER 126 N -0.23 2.53 0.00 6.13 1.04 -1.26 -4.99 113.70 116.93 3f6c s SER 126 Ca 0.05 -0.45 0.28 0.00 0.48 0.00 0.00 55.95 56.31 3f6c s SER 126 Cb -0.13 -1.15 1.15 0.00 0.10 0.00 0.00 66.02 65.99 3f6c s SER 126 CO 0.02 0.08 1.87 -0.11 0.98 0.00 0.00 173.24 176.07 3f6c n LEU 127 N 3.84 0.07 0.00 2.42 7.94 -1.26 -5.28 117.00 124.73 3f6c n LEU 127 Ca -0.20 0.44 0.05 0.00 -1.11 0.00 0.00 56.01 55.18 3f6c n LEU 127 Cb 0.52 -0.47 0.28 0.00 0.53 0.00 0.00 43.42 44.28 3f6c n LEU 127 CO 0.26 0.01 0.50 0.59 -1.11 0.00 0.00 177.39 177.64