#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6p s ASP 2 N 0.00 7.20 0.28 6.12 -0.00 -1.26 -4.98 116.67 124.03 3f6p s ASP 2 Ca 0.00 2.26 -0.30 0.00 -0.00 0.00 0.00 52.55 54.51 3f6p s ASP 2 Cb 0.00 -2.62 -0.11 0.00 -0.00 0.00 0.00 42.92 40.19 3f6p s ASP 2 CO 0.00 -0.23 1.56 -0.54 -0.00 0.00 0.00 175.17 175.96 3f6p s LYS 3 N -1.03 4.16 -0.19 8.23 -0.14 -1.26 -4.67 119.74 124.83 3f6p s LYS 3 Ca 0.47 2.51 -0.17 0.00 -1.36 0.00 0.00 55.97 57.42 3f6p s LYS 3 Cb -0.32 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 3f6p s LYS 3 CO 0.40 -0.58 0.45 0.15 -0.76 0.00 0.00 175.35 175.01 3f6p s LYS 4 N -0.40 4.19 -0.07 1.68 1.02 -1.26 -1.77 119.74 123.13 3f6p s LYS 4 Ca 0.63 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.97 3f6p s LYS 4 Cb -0.46 -3.54 -0.00 0.00 -0.52 0.00 0.00 37.83 33.30 3f6p s LYS 4 CO 0.46 -0.07 -0.22 0.42 -0.92 0.00 0.00 175.35 175.02 3f6p s ILE 5 N 1.39 1.85 -0.29 2.17 1.01 -0.02 0.22 121.20 127.54 3f6p s ILE 5 Ca 0.22 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3f6p s ILE 5 Cb -0.15 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 3f6p s ILE 5 CO 0.09 0.52 0.13 -0.22 0.00 0.00 0.00 174.94 175.46 3f6p s LEU 6 N 0.12 3.91 -0.25 2.97 2.96 -0.67 -1.41 118.68 126.31 3f6p s LEU 6 Ca -0.10 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.32 3f6p s LEU 6 Cb -0.15 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3f6p s LEU 6 CO 0.05 -0.13 0.27 -0.69 -1.32 0.00 0.00 176.35 174.54 3f6p s VAL 7 N 1.63 5.26 -0.36 1.68 1.01 0.40 -0.71 120.40 129.31 3f6p s VAL 7 Ca 0.05 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3f6p s VAL 7 Cb -0.16 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.71 3f6p s VAL 7 CO 0.06 0.25 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3f6p s VAL 8 N 1.57 2.66 -0.21 2.92 1.01 0.10 -0.88 120.40 127.57 3f6p s VAL 8 Ca 0.12 -2.18 -0.19 0.00 0.00 0.00 0.00 61.98 59.72 3f6p s VAL 8 Cb -0.15 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3f6p s VAL 8 CO 0.08 -0.59 0.56 -0.62 0.00 0.00 0.00 175.10 174.53 3f6p s ASP 9 N 1.25 -0.59 0.00 3.32 -1.08 -0.90 -1.14 116.67 117.53 3f6p s ASP 9 Ca 0.09 1.13 0.25 0.00 -0.52 0.00 0.00 52.55 53.50 3f6p s ASP 9 Cb -0.20 1.14 0.46 0.00 -1.46 0.00 0.00 42.92 42.86 3f6p s ASP 9 CO -0.06 -0.20 1.40 -0.67 0.52 0.00 0.00 175.17 176.16 3f6p n ASP 10 N 2.89 2.07 -4.40 -0.34 -0.08 -1.26 -4.38 116.55 111.05 3f6p n ASP 10 Ca -0.14 -1.58 -0.45 0.00 -1.51 0.00 0.00 54.79 51.11 3f6p n ASP 10 Cb 0.56 0.13 -0.01 0.00 2.34 0.00 0.00 41.12 44.14 3f6p n ASP 10 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3f6p s GLU 11 N -2.19 3.91 0.16 -0.67 2.02 -1.26 -4.91 118.70 115.76 3f6p s GLU 11 Ca 0.28 -2.55 0.01 0.00 0.02 0.00 0.00 54.97 52.72 3f6p s GLU 11 Cb 0.20 -4.76 0.39 0.00 0.10 0.00 0.00 34.13 30.06 3f6p s GLU 11 CO 0.41 -1.52 0.80 1.63 0.02 0.00 0.00 175.26 176.60 3f6p n LYS 12 N 4.67 -0.04 0.25 1.61 4.76 -1.26 -0.97 118.16 127.18 3f6p n LYS 12 Ca 0.25 0.77 -0.16 0.00 -2.87 0.00 0.00 58.31 56.31 3f6p n LYS 12 Cb 0.44 -1.22 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 3f6p n LYS 12 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3f6p h PRO 13 N 0.00 -0.64 -0.43 1.97 0.11 -1.98 0.18 132.00 131.20 3f6p h PRO 13 Ca 0.31 0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.38 3f6p h PRO 13 Cb 0.63 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3f6p h PRO 13 CO -0.48 -0.43 -0.07 0.82 -0.21 0.00 0.00 178.00 177.63 3f6p h ILE 14 N -0.67 1.27 -0.98 4.15 2.04 -1.48 -1.35 117.51 120.49 3f6p h ILE 14 Ca -0.04 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.69 3f6p h ILE 14 Cb 0.56 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3f6p h ILE 14 CO 0.03 0.39 0.64 0.00 0.00 0.00 0.00 178.15 179.22 3f6p h ALA 15 N 0.87 1.29 -0.18 1.87 0.00 -1.01 -1.04 119.26 121.06 3f6p h ALA 15 Ca 0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 3f6p h ALA 15 Cb 0.59 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3f6p h ALA 15 CO 0.04 0.55 -0.66 -0.44 0.00 0.00 0.00 179.25 178.74 3f6p h ASP 16 N 1.26 0.79 -0.52 0.00 3.32 -0.44 -1.88 116.42 118.94 3f6p h ASP 16 Ca 0.39 -0.47 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3f6p h ASP 16 Cb -0.03 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3f6p h ASP 16 CO -0.12 1.24 -0.02 -0.29 -1.72 0.00 0.00 179.24 178.32 3f6p h ILE 17 N 0.50 1.26 -0.32 0.35 6.09 -0.88 0.38 117.51 124.88 3f6p h ILE 17 Ca -0.02 -1.14 -0.00 0.00 -1.37 0.00 0.00 64.86 62.33 3f6p h ILE 17 Cb 1.25 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 39.38 3f6p h ILE 17 CO 0.13 0.41 0.20 -0.07 -3.07 0.00 0.00 178.15 175.75 3f6p h LEU 18 N 0.89 0.38 -0.73 2.19 4.07 -1.14 -1.68 115.31 119.30 3f6p h LEU 18 Ca 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 3f6p h LEU 18 Cb 0.55 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 3f6p h LEU 18 CO 0.03 0.31 0.42 -0.08 -1.08 0.00 0.00 178.44 178.04 3f6p h GLU 19 N 0.42 1.00 0.42 1.13 4.81 -0.99 -1.43 114.58 119.95 3f6p h GLU 19 Ca 0.12 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3f6p h GLU 19 Cb -0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3f6p h GLU 19 CO -0.02 0.73 -0.27 0.35 -0.73 0.00 0.00 179.01 179.06 3f6p h PHE 20 N 1.00 -0.71 -0.60 0.92 3.57 -0.55 -1.47 116.94 119.09 3f6p h PHE 20 Ca 0.26 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3f6p h PHE 20 Cb 0.00 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3f6p h PHE 20 CO -0.01 -0.41 0.05 -0.91 -2.23 0.00 0.00 178.31 174.80 3f6p h ASN 21 N -0.67 0.96 -0.14 0.41 2.35 -1.27 -1.66 115.58 115.57 3f6p h ASN 21 Ca -0.05 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 3f6p h ASN 21 Cb 0.55 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3f6p h ASN 21 CO 0.04 0.99 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.72 3f6p h LEU 22 N 0.93 0.26 -1.10 1.61 3.38 -1.23 -1.53 115.31 117.63 3f6p h LEU 22 Ca 0.18 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3f6p h LEU 22 Cb 0.47 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3f6p h LEU 22 CO 0.02 0.54 0.60 0.03 0.09 0.00 0.00 178.44 179.72 3f6p h ARG 23 N -0.03 1.20 -0.11 1.13 3.08 -1.25 -0.89 114.38 117.50 3f6p h ARG 23 Ca 0.04 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3f6p h ARG 23 Cb 0.42 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3f6p h ARG 23 CO 0.01 0.80 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.42 3f6p h LYS 24 N 1.23 0.16 -0.00 0.04 3.64 -1.06 0.55 116.57 121.13 3f6p h LYS 24 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3f6p h LYS 24 Cb -0.14 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3f6p h LYS 24 CO -0.07 0.25 -0.07 -1.91 -2.27 0.00 0.00 179.45 175.38 3f6p n GLU 25 N -4.37 0.53 0.00 1.90 4.07 -0.51 -4.90 120.64 117.37 3f6p n GLU 25 Ca -0.01 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 3f6p n GLU 25 Cb 0.20 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 3f6p n GLU 25 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3f6p n GLY 26 N 1.29 1.04 3.87 8.31 0.00 0.18 -5.08 105.19 114.81 3f6p n GLY 26 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3f6p n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6p s TYR 27 N -2.00 3.46 -0.30 1.61 2.02 -0.46 -4.63 117.35 117.06 3f6p s TYR 27 Ca 0.00 1.05 -0.16 0.00 -0.37 0.00 0.00 57.07 57.59 3f6p s TYR 27 Cb 0.00 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.09 3f6p s TYR 27 CO 0.00 -0.09 0.40 -2.00 -1.57 0.00 0.00 175.55 172.29 3f6p s GLU 28 N -3.79 3.84 -0.04 -0.62 2.12 -0.73 -3.99 118.70 115.50 3f6p s GLU 28 Ca 0.51 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.81 3f6p s GLU 28 Cb -0.10 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 3f6p s GLU 28 CO 0.30 -0.41 -0.19 0.08 -0.54 0.00 0.00 175.26 174.50 3f6p s VAL 29 N 2.13 2.61 0.07 3.70 1.01 -1.26 -0.84 120.40 127.82 3f6p s VAL 29 Ca 0.15 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3f6p s VAL 29 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3f6p s VAL 29 CO 0.11 0.58 -0.17 -1.00 0.00 0.00 0.00 175.10 174.62 3f6p s HIS 30 N -0.63 1.47 0.05 5.22 3.76 -0.50 -4.99 115.29 119.67 3f6p s HIS 30 Ca 0.10 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 54.68 3f6p s HIS 30 Cb -0.11 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 3f6p s HIS 30 CO 0.00 0.11 -0.24 0.00 -0.85 0.00 0.00 174.74 173.76 3f6p s ALA 32 N -0.82 0.80 -1.55 0.00 0.00 -0.06 -4.94 121.76 115.19 3f6p s ALA 32 Ca 0.10 -0.49 0.13 0.00 0.00 0.00 0.00 51.96 51.70 3f6p s ALA 32 Cb -0.10 -0.17 0.09 0.00 0.00 0.00 0.00 23.12 22.95 3f6p s ALA 32 CO 0.02 0.17 0.89 0.72 0.00 0.00 0.00 175.76 177.56 3f6p n HIS 33 N 2.60 0.00 -3.58 0.00 8.25 -1.26 -2.11 115.22 119.11 3f6p n HIS 33 Ca -0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.16 3f6p n HIS 33 Cb 0.56 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.62 3f6p n HIS 33 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3f6p s ASP 34 N -1.10 -0.46 0.12 0.41 1.47 -1.26 -4.17 116.67 111.68 3f6p s ASP 34 Ca 0.14 0.28 -0.24 0.00 1.18 0.00 0.00 52.55 53.91 3f6p s ASP 34 Cb 0.11 0.48 -0.05 0.00 -0.34 0.00 0.00 42.92 43.11 3f6p s ASP 34 CO 0.17 -0.67 1.42 1.23 0.68 0.00 0.00 175.17 178.00 3f6p h GLY 35 N 2.94 -1.28 -0.22 2.12 0.00 -1.94 -1.34 103.07 103.36 3f6p h GLY 35 Ca -0.30 0.89 0.11 0.00 0.00 0.00 0.00 47.33 48.03 3f6p h GLY 35 CO 0.41 -0.20 -0.22 3.43 0.00 0.00 0.00 176.54 179.96 3f6p h ASN 36 N -0.00 -0.76 -0.78 0.19 2.35 -1.99 0.33 115.58 114.91 3f6p h ASN 36 Ca 0.12 0.19 0.06 0.00 -0.55 0.00 0.00 56.30 56.12 3f6p h ASN 36 Cb 0.32 0.43 -0.06 0.00 0.05 0.00 0.00 38.32 39.06 3f6p h ASN 36 CO -0.72 -0.24 0.48 -0.08 -1.65 0.00 0.00 177.43 175.21 3f6p h GLU 37 N -0.08 0.85 0.48 0.81 4.81 -1.83 -0.82 114.58 118.80 3f6p h GLU 37 Ca 0.25 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3f6p h GLU 37 Cb 0.48 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3f6p h GLU 37 CO -0.61 0.56 -0.23 0.00 -0.73 0.00 0.00 179.01 178.01 3f6p h ALA 38 N 1.37 -0.64 -0.84 2.92 0.00 0.54 0.70 119.26 123.32 3f6p h ALA 38 Ca 0.34 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3f6p h ALA 38 Cb 0.15 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3f6p h ALA 38 CO -0.17 -0.81 0.55 0.28 0.00 0.00 0.00 179.25 179.10 3f6p h VAL 39 N -0.74 0.97 0.78 0.00 2.07 -0.37 0.32 116.25 119.27 3f6p h VAL 39 Ca -0.07 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3f6p h VAL 39 Cb 0.54 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3f6p h VAL 39 CO 0.11 0.15 -0.37 -0.08 0.02 0.00 0.00 177.57 177.39 3f6p h GLU 40 N 0.82 -1.00 -0.82 1.57 4.81 -0.87 -2.89 114.58 116.20 3f6p h GLU 40 Ca 0.39 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.80 3f6p h GLU 40 Cb 0.41 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3f6p h GLU 40 CO -0.15 -0.67 0.53 0.52 -0.73 0.00 0.00 179.01 178.51 3f6p h MET 41 N -1.05 0.67 -0.49 1.92 2.86 -0.23 -2.10 114.93 116.51 3f6p h MET 41 Ca -0.11 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 3f6p h MET 41 Cb 0.80 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 3f6p h MET 41 CO 0.17 0.44 0.17 0.28 1.06 0.00 0.00 176.91 179.04 3f6p h VAL 42 N 0.69 0.82 0.49 -2.22 2.07 -0.25 -2.16 116.25 115.69 3f6p h VAL 42 Ca 0.39 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 3f6p h VAL 42 Cb 0.57 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3f6p h VAL 42 CO -0.16 0.06 -0.23 -0.08 0.02 0.00 0.00 177.57 177.18 3f6p h GLU 43 N 0.34 -0.63 -1.73 1.57 4.81 -1.18 0.38 114.58 118.14 3f6p h GLU 43 Ca 0.24 0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.26 3f6p h GLU 43 Cb 0.26 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.68 3f6p h GLU 43 CO -0.25 -0.32 0.25 -0.85 -0.73 0.00 0.00 179.01 177.11 3f6p n GLU 44 N -5.27 1.67 0.00 1.92 -0.00 -1.07 -3.61 120.64 114.28 3f6p n GLU 44 Ca -0.11 -1.21 0.00 0.00 -0.00 0.00 0.00 57.16 55.85 3f6p n GLU 44 Cb 0.31 -1.54 0.00 0.00 -0.00 0.00 0.00 31.44 30.21 3f6p n GLU 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3f6p n LEU 45 N 0.85 0.00 -3.70 -1.84 7.94 -0.82 -4.95 117.00 114.48 3f6p n LEU 45 Ca 0.25 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.92 3f6p n LEU 45 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3f6p n LEU 45 CO 0.26 0.00 -0.24 0.00 -1.11 0.00 0.00 177.39 176.30 3f6p n GLN 46 N -0.47 -1.42 -1.54 1.96 6.02 0.13 -4.89 117.38 117.16 3f6p n GLN 46 Ca 0.00 0.68 -0.34 0.00 -0.01 0.00 0.00 57.00 57.34 3f6p n GLN 46 Cb 0.00 -2.02 0.08 0.00 1.02 0.00 0.00 30.24 29.31 3f6p n GLN 46 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3f6p s PRO 47 N -4.72 2.36 0.46 -1.09 0.04 -1.26 -4.93 135.00 125.86 3f6p s PRO 47 Ca 0.00 1.63 0.26 0.00 0.04 0.00 0.00 61.00 62.93 3f6p s PRO 47 Cb -0.00 -1.87 0.61 0.00 0.04 0.00 0.00 34.50 33.28 3f6p s PRO 47 CO 0.83 -1.63 1.71 -0.44 0.04 0.00 0.00 177.00 177.50 3f6p h ASP 48 N -0.19 0.00 -4.45 6.66 3.32 -0.57 -3.46 116.42 117.73 3f6p h ASP 48 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 3f6p h ASP 48 Cb 1.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.62 3f6p h ASP 48 CO 0.51 0.00 0.21 -0.22 -1.72 0.00 0.00 179.24 178.02 3f6p s LEU 49 N -6.13 -0.66 -0.07 1.55 0.20 -1.10 -3.89 118.68 108.58 3f6p s LEU 49 Ca 0.06 0.98 0.05 0.00 0.69 0.00 0.00 54.13 55.90 3f6p s LEU 49 Cb 0.06 2.43 -0.01 0.00 -0.43 0.00 0.00 46.19 48.24 3f6p s LEU 49 CO 0.63 -0.43 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.42 3f6p s ILE 50 N -0.51 2.35 -0.25 6.68 1.01 -0.49 -1.68 121.20 128.33 3f6p s ILE 50 Ca -0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 3f6p s ILE 50 Cb -0.02 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 3f6p s ILE 50 CO 0.05 0.56 0.10 -0.76 0.00 0.00 0.00 174.94 174.89 3f6p s LEU 51 N -0.10 3.61 -0.12 2.97 1.43 0.11 -0.45 118.68 126.13 3f6p s LEU 51 Ca -0.04 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3f6p s LEU 51 Cb -0.14 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.14 3f6p s LEU 51 CO 0.04 -0.01 -0.06 -0.22 0.23 0.00 0.00 176.35 176.33 3f6p s LEU 52 N 1.49 1.20 0.13 1.79 2.96 0.11 0.01 118.68 126.36 3f6p s LEU 52 Ca 0.06 -0.35 -0.31 0.00 -0.22 0.00 0.00 54.13 53.31 3f6p s LEU 52 Cb -0.15 -0.81 -0.08 0.00 0.50 0.00 0.00 46.19 45.65 3f6p s LEU 52 CO 0.05 -0.14 1.37 -0.62 -1.32 0.00 0.00 176.35 175.69 3f6p s ASP 53 N 1.72 6.84 0.34 3.68 -1.08 -0.29 -0.25 116.67 127.64 3f6p s ASP 53 Ca 0.04 2.33 0.18 0.00 -0.52 0.00 0.00 52.55 54.58 3f6p s ASP 53 Cb -0.13 -2.59 0.48 0.00 -1.46 0.00 0.00 42.92 39.22 3f6p s ASP 53 CO -0.08 -0.63 1.64 -0.29 0.52 0.00 0.00 175.17 176.33 3f6p h ILE 54 N 4.18 0.87 -0.85 4.11 2.10 -1.74 -3.30 117.51 122.88 3f6p h ILE 54 Ca -0.42 -1.76 -0.54 0.00 1.08 0.00 0.00 64.86 63.21 3f6p h ILE 54 Cb 1.21 2.10 -0.25 0.00 -1.09 0.00 0.00 36.82 38.78 3f6p h ILE 54 CO 0.85 0.41 0.70 0.23 -1.08 0.00 0.00 178.15 179.26 3f6p n MET 55 N -3.42 2.34 -0.71 2.19 2.81 -1.26 -2.87 117.12 116.19 3f6p n MET 55 Ca 0.00 -2.74 -0.30 0.00 -1.81 0.00 0.00 57.70 52.86 3f6p n MET 55 Cb 0.59 -2.08 0.25 0.00 -0.71 0.00 0.00 33.22 31.27 3f6p n MET 55 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3f6p s LEU 56 N -3.14 0.16 0.00 4.03 1.43 -1.24 -4.58 118.68 115.33 3f6p s LEU 56 Ca 0.54 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 3f6p s LEU 56 Cb 0.43 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3f6p s LEU 56 CO 0.02 -4.49 0.16 -0.81 0.23 0.00 0.00 176.35 171.46 3f6p n PRO 57 N -5.05 0.00 -1.13 1.29 -0.04 -1.26 -3.16 135.00 125.64 3f6p n PRO 57 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3f6p n PRO 57 Cb 0.58 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 3f6p n PRO 57 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3f6p n ASN 58 N 2.19 -1.51 0.00 3.54 5.03 -1.26 -4.44 115.26 118.81 3f6p n ASN 58 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3f6p n ASN 58 Cb 0.08 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.08 3f6p n ASN 58 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3f6p n LYS 59 N -0.26 -0.07 -0.36 3.52 5.02 -1.19 -4.78 118.16 120.04 3f6p n LYS 59 Ca 0.00 0.01 0.35 0.00 -2.02 0.00 0.00 58.31 56.65 3f6p n LYS 59 Cb 0.00 -4.01 0.71 0.00 -0.02 0.00 0.00 35.03 31.72 3f6p n LYS 59 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3f6p h ASP 60 N 0.00 0.09 -0.09 4.39 5.19 -1.77 -0.73 116.42 123.49 3f6p h ASP 60 Ca 0.00 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.47 3f6p h ASP 60 Cb 0.03 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.49 3f6p h ASP 60 CO 0.00 0.00 -0.27 1.23 -3.12 0.00 0.00 179.24 177.09 3f6p h GLY 61 N 0.07 -0.34 0.98 2.75 0.00 -1.66 2.70 103.07 107.57 3f6p h GLY 61 Ca 0.61 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 48.25 3f6p h GLY 61 CO -0.08 -0.21 0.26 -2.08 0.00 0.00 0.00 176.54 174.44 3f6p h VAL 62 N -0.36 1.18 -0.30 4.60 2.07 -1.31 -0.78 116.25 121.35 3f6p h VAL 62 Ca 0.09 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3f6p h VAL 62 Cb 0.49 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3f6p h VAL 62 CO -0.30 0.20 -0.21 -0.33 0.02 0.00 0.00 177.57 176.95 3f6p h GLU 63 N 0.67 0.57 -0.31 1.57 4.39 -0.89 -0.46 114.58 120.12 3f6p h GLU 63 Ca 0.18 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3f6p h GLU 63 Cb 0.08 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3f6p h GLU 63 CO -0.03 0.74 0.03 0.28 -1.16 0.00 0.00 179.01 178.87 3f6p h VAL 64 N 0.51 1.25 -0.27 3.13 2.07 0.50 -1.43 116.25 122.00 3f6p h VAL 64 Ca 0.08 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3f6p h VAL 64 Cb 0.64 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3f6p h VAL 64 CO 0.05 0.29 0.07 0.00 0.02 0.00 0.00 177.57 177.99 3f6p h ARG 66 N 0.18 0.13 0.75 0.00 3.08 -0.89 -1.38 114.38 116.24 3f6p h ARG 66 Ca 0.12 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3f6p h ARG 66 Cb 0.11 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3f6p h ARG 66 CO -0.15 0.09 -0.47 0.93 -1.07 0.00 0.00 179.97 179.30 3f6p h GLU 67 N 0.13 -1.09 -0.87 0.04 5.08 -0.99 -2.07 114.58 114.82 3f6p h GLU 67 Ca 0.06 0.07 0.23 0.00 -1.00 0.00 0.00 59.36 58.72 3f6p h GLU 67 Cb 0.03 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 29.39 3f6p h GLU 67 CO -0.06 -0.73 0.27 0.28 -1.00 0.00 0.00 179.01 177.77 3f6p h VAL 68 N -1.14 0.37 0.00 3.13 2.07 -1.23 0.62 116.25 120.08 3f6p h VAL 68 Ca -0.10 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3f6p h VAL 68 Cb 0.91 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3f6p h VAL 68 CO 0.10 0.05 -0.10 0.03 0.02 0.00 0.00 177.57 177.67 3f6p h ARG 69 N 0.26 0.00 0.00 1.57 2.47 -0.92 0.57 114.38 118.32 3f6p h ARG 69 Ca 0.54 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.26 3f6p h ARG 69 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 3f6p h ARG 69 CO -0.61 0.10 0.00 1.63 0.56 0.00 0.00 179.97 181.65 3f6p n LYS 70 N -3.65 0.14 0.00 0.04 4.76 0.22 -3.65 118.16 116.02 3f6p n LYS 70 Ca -0.02 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 3f6p n LYS 70 Cb 0.21 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 3f6p n LYS 70 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3f6p n LYS 71 N -2.27 0.66 -4.23 1.97 5.02 -0.45 -5.13 118.16 113.73 3f6p n LYS 71 Ca -0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 3f6p n LYS 71 Cb 0.04 -0.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.87 3f6p n LYS 71 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3f6p s TYR 72 N 0.00 1.15 -0.73 2.13 2.02 0.19 -5.05 117.35 117.05 3f6p s TYR 72 Ca 0.00 -0.41 0.12 0.00 -0.37 0.00 0.00 57.07 56.41 3f6p s TYR 72 Cb 0.00 -0.67 0.36 0.00 -0.40 0.00 0.00 41.96 41.25 3f6p s TYR 72 CO 0.00 0.04 1.29 -0.25 -1.57 0.00 0.00 175.55 175.06 3f6p n ASP 73 N 1.57 3.15 -4.78 2.29 8.00 -1.26 -4.17 116.55 121.36 3f6p n ASP 73 Ca -0.20 -2.25 -0.36 0.00 0.71 0.00 0.00 54.79 52.70 3f6p n ASP 73 Cb 0.54 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 3f6p n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6p s MET 74 N -1.44 3.65 0.28 -1.24 0.23 -1.26 -4.94 119.30 114.58 3f6p s MET 74 Ca 0.27 1.62 -0.29 0.00 -1.03 0.00 0.00 55.69 56.27 3f6p s MET 74 Cb 0.17 -2.22 -0.14 0.00 -1.53 0.00 0.00 34.83 31.12 3f6p s MET 74 CO 0.14 -0.61 1.19 -2.30 -2.03 0.00 0.00 175.02 171.41 3f6p n PRO 75 N -0.83 1.69 -4.43 3.16 -0.02 -1.25 -4.83 135.00 128.49 3f6p n PRO 75 Ca 0.09 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 3f6p n PRO 75 Cb 0.50 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 3f6p n PRO 75 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3f6p s ILE 76 N -0.77 1.26 -0.20 4.25 1.01 -1.26 -1.39 121.20 124.10 3f6p s ILE 76 Ca 0.61 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3f6p s ILE 76 Cb -0.67 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 3f6p s ILE 76 CO 0.58 0.39 -0.08 -0.63 0.00 0.00 0.00 174.94 175.20 3f6p s ILE 77 N 0.96 3.20 0.15 2.92 1.01 0.40 -0.44 121.20 129.40 3f6p s ILE 77 Ca -0.08 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.74 3f6p s ILE 77 Cb -0.15 -2.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 3f6p s ILE 77 CO -0.00 0.46 0.81 -0.04 0.00 0.00 0.00 174.94 176.16 3f6p s MET 78 N 1.20 4.60 -0.25 2.79 -1.94 0.06 0.05 119.30 125.80 3f6p s MET 78 Ca 0.02 1.20 -0.09 0.00 -1.71 0.00 0.00 55.69 55.12 3f6p s MET 78 Cb -0.14 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 3f6p s MET 78 CO -0.02 0.49 0.11 -0.51 -0.01 0.00 0.00 175.02 175.08 3f6p s LEU 79 N -0.87 3.70 0.30 -0.03 1.43 0.66 -0.66 118.68 123.21 3f6p s LEU 79 Ca 0.38 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3f6p s LEU 79 Cb -0.23 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3f6p s LEU 79 CO 0.27 -0.01 0.11 0.42 0.23 0.00 0.00 176.35 177.37 3f6p s THR 80 N 1.46 0.60 0.72 5.49 -4.23 -0.54 -1.95 115.64 117.19 3f6p s THR 80 Ca 0.06 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 3f6p s THR 80 Cb -0.15 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3f6p s THR 80 CO 0.06 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.24 3f6p s ALA 81 N -3.57 2.81 -0.00 3.99 0.00 -1.26 -0.55 121.76 123.18 3f6p s ALA 81 Ca 0.35 -0.35 0.11 0.00 0.00 0.00 0.00 51.96 52.07 3f6p s ALA 81 Cb 0.07 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 20.04 3f6p s ALA 81 CO 0.15 -1.24 1.26 0.87 0.00 0.00 0.00 175.76 176.81 3f6p h LYS 82 N -0.73 0.00 -0.21 0.00 1.57 -1.91 -3.37 116.57 111.92 3f6p h LYS 82 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3f6p h LYS 82 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3f6p h LYS 82 CO 0.64 0.75 0.00 -0.40 -0.57 0.00 0.00 179.45 179.86 3f6p n ASP 83 N -3.26 1.76 -4.07 0.86 5.75 -1.26 -4.76 116.55 111.57 3f6p n ASP 83 Ca -0.01 -1.77 -0.32 0.00 -0.01 0.00 0.00 54.79 52.67 3f6p n ASP 83 Cb 0.87 -0.14 -0.15 0.00 -1.03 0.00 0.00 41.12 40.67 3f6p n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3f6p s SER 84 N -1.45 4.11 0.11 -1.12 0.15 -1.26 -4.99 113.70 109.25 3f6p s SER 84 Ca 0.31 -1.22 -0.15 0.00 0.70 0.00 0.00 55.95 55.59 3f6p s SER 84 Cb 0.17 -1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 3f6p s SER 84 CO 0.24 -0.15 1.49 -0.08 1.20 0.00 0.00 173.24 175.93 3f6p h GLU 85 N 7.82 0.71 -0.62 5.44 4.81 -1.92 -3.13 114.58 127.69 3f6p h GLU 85 Ca -0.24 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 3f6p h GLU 85 Cb 1.06 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3f6p h GLU 85 CO 0.49 0.91 0.32 0.97 -0.73 0.00 0.00 179.01 180.97 3f6p h ILE 86 N 0.49 1.20 -0.15 2.32 6.09 -1.99 -1.00 117.51 124.46 3f6p h ILE 86 Ca 0.08 -0.52 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 3f6p h ILE 86 Cb 0.69 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.35 3f6p h ILE 86 CO 0.05 0.22 0.04 0.44 -3.07 0.00 0.00 178.15 175.83 3f6p h ASP 87 N 0.87 0.18 0.04 2.19 3.32 -1.94 0.39 116.42 121.47 3f6p h ASP 87 Ca 0.22 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 3f6p h ASP 87 Cb 0.06 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3f6p h ASP 87 CO -0.03 0.19 -0.70 0.11 -1.72 0.00 0.00 179.24 177.09 3f6p h LYS 88 N 0.21 0.41 -0.21 3.56 1.57 -1.22 -3.37 116.57 117.51 3f6p h LYS 88 Ca 0.05 -0.49 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 3f6p h LYS 88 Cb 0.09 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3f6p h LYS 88 CO -0.00 1.16 -0.30 0.28 -0.57 0.00 0.00 179.45 180.02 3f6p h VAL 89 N -0.12 1.33 -0.79 0.50 2.07 -1.06 -3.36 116.25 114.82 3f6p h VAL 89 Ca -0.10 -1.50 0.12 0.00 0.82 0.00 0.00 66.70 66.04 3f6p h VAL 89 Cb 1.44 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.92 3f6p h VAL 89 CO 0.14 0.46 0.39 -0.29 0.02 0.00 0.00 177.57 178.30 3f6p h ILE 90 N 0.26 0.78 -0.58 4.57 6.09 -1.07 -2.32 117.51 125.23 3f6p h ILE 90 Ca 0.02 -0.21 0.02 0.00 -1.37 0.00 0.00 64.86 63.32 3f6p h ILE 90 Cb 0.88 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.25 3f6p h ILE 90 CO 0.07 0.11 0.37 1.23 -3.07 0.00 0.00 178.15 176.86 3f6p h GLY 91 N 0.61 0.82 2.00 8.18 0.00 -1.73 -1.80 103.07 111.15 3f6p h GLY 91 Ca 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3f6p h GLY 91 CO -0.32 0.26 -0.05 1.41 0.00 0.00 0.00 176.54 177.84 3f6p h LEU 92 N 0.74 0.00 -0.11 3.11 4.07 -1.58 -0.78 115.31 120.77 3f6p h LEU 92 Ca 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 3f6p h LEU 92 Cb -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 3f6p h LEU 92 CO -0.07 0.05 -0.14 -0.33 -1.08 0.00 0.00 178.44 176.87 3f6p h GLU 93 N 0.00 0.00 -0.13 1.13 5.08 -1.19 -3.34 114.58 116.13 3f6p h GLU 93 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3f6p h GLU 93 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3f6p h GLU 93 CO 0.01 0.14 -0.03 0.44 -1.00 0.00 0.00 179.01 178.57 3f6p n ILE 94 N -3.14 2.11 0.00 3.13 -6.64 -0.78 -4.97 119.36 109.07 3f6p n ILE 94 Ca 0.03 -2.18 0.00 0.00 -1.77 0.00 0.00 62.75 58.83 3f6p n ILE 94 Cb 0.57 -0.25 0.00 0.00 -1.44 0.00 0.00 39.64 38.52 3f6p n ILE 94 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3f6p n GLY 95 N -1.02 1.93 3.76 3.28 0.00 -1.15 -4.54 105.19 107.46 3f6p n GLY 95 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3f6p n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6p s ALA 96 N -1.85 2.42 -0.55 4.61 0.00 -0.37 -4.80 121.76 121.22 3f6p s ALA 96 Ca 0.00 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.76 3f6p s ALA 96 Cb 0.00 -3.34 -0.28 0.00 0.00 0.00 0.00 23.12 19.50 3f6p s ALA 96 CO 0.00 -1.35 0.70 -0.25 0.00 0.00 0.00 175.76 174.86 3f6p n ASP 97 N -2.46 0.55 -3.57 0.00 8.00 0.41 -4.17 116.55 115.32 3f6p n ASP 97 Ca 0.11 -0.54 -0.02 0.00 0.71 0.00 0.00 54.79 55.05 3f6p n ASP 97 Cb 0.52 1.46 0.00 0.00 -0.02 0.00 0.00 41.12 43.08 3f6p n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f6p s ASP 98 N -3.68 -0.06 0.06 -2.24 -1.08 -1.10 -5.01 116.67 103.57 3f6p s ASP 98 Ca 0.01 -0.45 -0.08 0.00 -0.52 0.00 0.00 52.55 51.51 3f6p s ASP 98 Cb 0.15 0.40 -0.01 0.00 -1.46 0.00 0.00 42.92 42.00 3f6p s ASP 98 CO 0.88 -0.76 0.15 -0.72 0.52 0.00 0.00 175.17 175.24 3f6p s TYR 99 N -2.50 0.17 -0.03 -5.34 -0.85 -1.26 -0.76 117.35 106.78 3f6p s TYR 99 Ca 0.19 -0.55 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 3f6p s TYR 99 Cb -0.01 -0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.26 3f6p s TYR 99 CO 0.02 -0.47 -0.00 0.08 -1.52 0.00 0.00 175.55 173.65 3f6p s VAL 100 N -3.37 0.20 0.25 -3.49 1.01 0.17 -4.88 120.40 110.28 3f6p s VAL 100 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3f6p s VAL 100 Cb 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 3f6p s VAL 100 CO -0.08 0.14 0.55 0.42 0.00 0.00 0.00 175.10 176.13 3f6p s THR 101 N 0.95 4.97 -0.12 3.92 -4.23 -1.26 -1.47 115.64 118.39 3f6p s THR 101 Ca -0.10 0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 3f6p s THR 101 Cb -0.13 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 3f6p s THR 101 CO -0.01 -0.15 0.10 -0.54 -0.54 0.00 0.00 174.62 173.48 3f6p s LYS 102 N -3.03 3.39 0.49 3.99 1.02 0.29 -3.07 119.74 122.82 3f6p s LYS 102 Ca 0.46 -0.22 -0.18 0.00 0.02 0.00 0.00 55.97 56.05 3f6p s LYS 102 Cb -0.11 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 3f6p s LYS 102 CO 0.24 0.70 0.98 -1.25 -0.92 0.00 0.00 175.35 175.10 3f6p s PRO 103 N -0.82 4.01 0.08 -1.68 0.04 -1.26 -3.40 135.00 131.97 3f6p s PRO 103 Ca 0.13 1.02 0.07 0.00 0.04 0.00 0.00 61.00 62.26 3f6p s PRO 103 Cb -0.12 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3f6p s PRO 103 CO 0.03 -0.22 -0.18 -0.59 0.04 0.00 0.00 177.00 176.08 3f6p s PHE 104 N -2.47 1.51 0.59 0.56 -0.12 -1.18 -5.06 117.98 111.81 3f6p s PHE 104 Ca 0.60 -0.42 -0.09 0.00 -0.05 0.00 0.00 56.93 56.97 3f6p s PHE 104 Cb -0.10 -0.85 -0.03 0.00 -0.63 0.00 0.00 43.02 41.41 3f6p s PHE 104 CO 0.26 0.12 0.96 -1.54 -0.05 0.00 0.00 175.22 174.97 3f6p s SER 105 N -1.70 6.12 0.30 1.98 1.04 -1.26 -4.91 113.70 115.27 3f6p s SER 105 Ca 0.03 1.22 -0.01 0.00 0.48 0.00 0.00 55.95 57.67 3f6p s SER 105 Cb -0.10 -2.31 0.47 0.00 0.10 0.00 0.00 66.02 64.19 3f6p s SER 105 CO 0.03 -0.85 1.92 0.74 0.98 0.00 0.00 173.24 176.05 3f6p h THR 106 N -0.20 1.20 -0.60 2.02 2.02 -2.00 -1.14 112.91 114.21 3f6p h THR 106 Ca -0.45 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.19 3f6p h THR 106 Cb 1.20 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3f6p h THR 106 CO 0.62 0.24 0.40 -0.09 0.37 0.00 0.00 175.52 177.05 3f6p h ARG 107 N 0.91 0.79 -0.22 6.66 2.43 -2.00 -1.50 114.38 121.45 3f6p h ARG 107 Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3f6p h ARG 107 Cb 0.07 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3f6p h ARG 107 CO -0.03 0.52 0.01 1.49 -1.51 0.00 0.00 179.97 180.44 3f6p h GLU 108 N 0.81 0.39 -0.05 0.20 4.81 -1.78 -2.13 114.58 116.83 3f6p h GLU 108 Ca 0.22 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3f6p h GLU 108 Cb -0.09 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 3f6p h GLU 108 CO -0.05 0.57 -0.31 1.25 -0.73 0.00 0.00 179.01 179.74 3f6p h LEU 109 N 0.16 -0.93 -0.78 1.64 5.85 -0.91 0.47 115.31 120.80 3f6p h LEU 109 Ca 0.06 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3f6p h LEU 109 Cb 0.39 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3f6p h LEU 109 CO 0.01 -0.36 0.30 -0.07 -0.34 0.00 0.00 178.44 177.98 3f6p h LEU 110 N -0.42 1.10 -0.45 2.25 3.38 -1.30 -0.71 115.31 119.16 3f6p h LEU 110 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3f6p h LEU 110 Cb 0.54 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3f6p h LEU 110 CO -0.29 0.98 0.13 0.00 0.09 0.00 0.00 178.44 179.35 3f6p h ALA 111 N 1.16 0.59 -0.57 1.53 0.00 -1.11 -1.19 119.26 119.67 3f6p h ALA 111 Ca 0.26 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3f6p h ALA 111 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3f6p h ALA 111 CO -0.02 0.25 0.07 0.00 0.00 0.00 0.00 179.25 179.55 3f6p h ARG 112 N 0.59 0.96 -0.13 0.00 2.47 -0.58 0.08 114.38 117.77 3f6p h ARG 112 Ca 0.14 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 3f6p h ARG 112 Cb 0.28 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3f6p h ARG 112 CO -0.00 0.93 0.02 0.28 0.56 0.00 0.00 179.97 181.76 3f6p h VAL 113 N 0.86 1.22 -0.38 2.04 2.07 -1.00 -1.54 116.25 119.52 3f6p h VAL 113 Ca 0.17 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3f6p h VAL 113 Cb 0.45 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3f6p h VAL 113 CO 0.02 0.21 0.09 0.50 0.02 0.00 0.00 177.57 178.40 3f6p h LYS 114 N -0.01 0.61 -1.00 1.57 3.64 -1.15 -0.63 116.57 119.61 3f6p h LYS 114 Ca 0.04 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3f6p h LYS 114 Cb 0.30 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 3f6p h LYS 114 CO 0.00 0.65 0.66 0.00 -2.27 0.00 0.00 179.45 178.49 3f6p h ALA 115 N 0.93 1.33 -0.01 5.00 0.00 -0.95 -1.72 119.26 123.85 3f6p h ALA 115 Ca 0.12 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 3f6p h ALA 115 Cb 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3f6p h ALA 115 CO 0.00 0.59 -0.84 -0.91 0.00 0.00 0.00 179.25 178.09 3f6p h ASN 116 N 1.29 0.31 0.09 0.00 2.35 -1.07 -2.13 115.58 116.42 3f6p h ASN 116 Ca 0.39 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3f6p h ASN 116 Cb -0.04 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3f6p h ASN 116 CO -0.11 1.01 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.38 3f6p h LEU 117 N 0.14 0.24 -2.88 1.61 3.38 -0.70 -3.09 115.31 114.02 3f6p h LEU 117 Ca -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3f6p h LEU 117 Cb 1.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3f6p h LEU 117 CO 0.13 0.48 0.00 0.54 0.09 0.00 0.00 178.44 179.69 3f6p n ARG 118 N -4.18 3.04 -1.72 1.13 1.74 -0.68 -4.99 116.66 110.99 3f6p n ARG 118 Ca -0.01 -2.68 -0.43 0.00 -0.77 0.00 0.00 57.85 53.96 3f6p n ARG 118 Cb 0.35 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3f6p n ARG 118 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3f6p n ARG 119 N 1.38 2.53 0.00 5.56 0.63 -0.81 -5.05 116.66 120.90 3f6p n ARG 119 Ca 0.24 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 3f6p n ARG 119 Cb 0.69 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.92 3f6p n ARG 119 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06