#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f71 h MET 3 N 0.00 0.63 -0.18 5.31 -0.00 -1.88 -0.44 114.93 118.38 2f71 h MET 3 Ca 0.00 -0.29 -0.19 0.00 -0.00 0.00 0.00 59.70 59.22 2f71 h MET 3 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.59 2f71 h MET 3 CO 0.00 0.87 -0.65 1.49 -0.00 0.00 0.00 176.91 178.62 2f71 h GLU 4 N 0.54 0.66 -0.09 -0.10 4.81 -1.98 0.14 114.58 118.56 2f71 h GLU 4 Ca 0.06 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2f71 h GLU 4 Cb 0.82 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2f71 h GLU 4 CO 0.07 1.10 0.04 -0.22 -0.73 0.00 0.00 179.01 179.26 2f71 h LYS 5 N 0.48 0.14 -0.25 1.92 3.64 -1.94 -1.84 116.57 118.72 2f71 h LYS 5 Ca -0.02 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2f71 h LYS 5 Cb 1.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2f71 h LYS 5 CO 0.13 0.26 0.11 1.49 -2.27 0.00 0.00 179.45 179.17 2f71 h GLU 6 N -0.01 0.24 -0.53 1.90 4.81 -1.01 -2.17 114.58 117.81 2f71 h GLU 6 Ca 0.03 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 2f71 h GLU 6 Cb 0.17 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.41 2f71 h GLU 6 CO -0.00 0.16 -0.01 0.35 -0.73 0.00 0.00 179.01 178.78 2f71 h PHE 7 N 0.24 -0.05 -0.38 0.92 3.57 -0.51 -0.40 116.94 120.34 2f71 h PHE 7 Ca 0.11 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2f71 h PHE 7 Cb 0.05 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2f71 h PHE 7 CO -0.11 -0.13 -0.17 0.93 -2.23 0.00 0.00 178.31 176.60 2f71 h GLU 8 N 0.11 0.70 -0.42 1.11 4.39 -1.09 -0.55 114.58 118.82 2f71 h GLU 8 Ca 0.27 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 2f71 h GLU 8 Cb 0.41 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2f71 h GLU 8 CO -0.45 0.82 -0.07 0.37 -1.16 0.00 0.00 179.01 178.52 2f71 h GLN 9 N 0.62 0.79 -0.55 2.33 4.15 -0.73 0.00 115.11 121.72 2f71 h GLN 9 Ca 0.10 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 2f71 h GLN 9 Cb 0.63 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2f71 h GLN 9 CO 0.04 0.90 0.18 0.82 -1.93 0.00 0.00 178.83 178.84 2f71 h ILE 10 N 0.61 1.23 -0.24 2.39 2.04 -0.82 -1.62 117.51 121.12 2f71 h ILE 10 Ca 0.11 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 2f71 h ILE 10 Cb 0.59 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2f71 h ILE 10 CO 0.04 0.29 0.08 0.44 0.00 0.00 0.00 178.15 179.00 2f71 h ASP 11 N 0.77 0.34 -0.68 1.72 5.19 -0.97 -0.12 116.42 122.66 2f71 h ASP 11 Ca 0.18 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 2f71 h ASP 11 Cb 0.27 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 2f71 h ASP 11 CO -0.01 0.44 0.19 0.50 -3.12 0.00 0.00 179.24 177.24 2f71 h LYS 12 N 0.22 1.09 -0.00 3.56 3.64 -0.91 -2.56 116.57 121.61 2f71 h LYS 12 Ca 0.08 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2f71 h LYS 12 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2f71 h LYS 12 CO -0.00 0.95 -0.16 -1.13 -2.27 0.00 0.00 179.45 176.83 2f71 n SER 13 N -4.24 0.52 -2.97 4.20 3.41 -0.62 -4.96 113.62 108.96 2f71 n SER 13 Ca 0.05 -0.50 -0.17 0.00 -0.26 0.00 0.00 58.87 58.00 2f71 n SER 13 Cb 0.24 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 2f71 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f71 n GLY 14 N 1.33 -0.23 0.33 5.00 0.00 -0.17 -4.95 105.19 106.50 2f71 n GLY 14 Ca 0.12 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.26 2f71 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f71 n SER 15 N -2.41 2.40 -0.28 1.61 3.41 -0.55 -4.66 113.62 113.14 2f71 n SER 15 Ca -0.11 -3.29 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 2f71 n SER 15 Cb 0.59 -0.47 0.13 0.00 -0.26 0.00 0.00 64.21 64.20 2f71 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2f71 h TRP 16 N 0.47 0.87 -0.65 7.33 4.06 -1.93 -1.04 115.95 125.05 2f71 h TRP 16 Ca 0.01 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.02 2f71 h TRP 16 Cb 1.09 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.93 2f71 h TRP 16 CO 0.27 0.42 0.41 0.00 -3.56 0.00 0.00 178.44 175.97 2f71 h ALA 17 N 1.40 0.85 -0.42 1.49 0.00 -1.92 -0.20 119.26 120.45 2f71 h ALA 17 Ca 0.36 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2f71 h ALA 17 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2f71 h ALA 17 CO -0.19 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.13 2f71 h ALA 18 N 1.28 0.58 -0.29 0.00 0.00 -1.79 0.04 119.26 119.08 2f71 h ALA 18 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2f71 h ALA 18 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2f71 h ALA 18 CO -0.10 0.45 0.18 0.82 0.00 0.00 0.00 179.25 180.60 2f71 h ILE 19 N 0.63 1.09 -0.41 0.00 1.08 -1.04 -0.93 117.51 117.93 2f71 h ILE 19 Ca 0.11 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 2f71 h ILE 19 Cb 0.63 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2f71 h ILE 19 CO 0.04 0.09 0.22 0.22 -0.69 0.00 0.00 178.15 178.03 2f71 h TYR 20 N 0.37 0.57 -0.63 1.37 3.20 -0.93 -2.43 116.97 118.49 2f71 h TYR 20 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2f71 h TYR 20 Cb -0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2f71 h TYR 20 CO -0.05 0.44 0.36 0.37 -1.64 0.00 0.00 178.16 177.64 2f71 h GLN 21 N 0.53 0.86 -0.70 1.82 5.75 -0.72 -1.66 115.11 120.98 2f71 h GLN 21 Ca 0.14 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2f71 h GLN 21 Cb 0.06 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 2f71 h GLN 21 CO -0.02 0.61 0.45 -0.44 -2.65 0.00 0.00 178.83 176.79 2f71 h ASP 22 N 0.87 0.77 -0.39 -0.69 3.32 -0.86 -0.72 116.42 118.71 2f71 h ASP 22 Ca 0.23 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.29 2f71 h ASP 22 Cb -0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2f71 h ASP 22 CO -0.04 0.54 0.20 0.40 -1.72 0.00 0.00 179.24 178.63 2f71 h ILE 23 N 0.91 0.99 -0.80 0.35 2.04 -0.85 -0.88 117.51 119.27 2f71 h ILE 23 Ca 0.27 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 66.04 2f71 h ILE 23 Cb -0.04 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2f71 h ILE 23 CO -0.08 0.08 0.49 0.03 0.00 0.00 0.00 178.15 178.67 2f71 h ARG 24 N 0.42 0.90 -0.69 2.37 3.08 -0.87 -0.77 114.38 118.82 2f71 h ARG 24 Ca 0.16 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2f71 h ARG 24 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2f71 h ARG 24 CO -0.10 0.60 0.14 1.25 -1.07 0.00 0.00 179.97 180.79 2f71 h HIS 25 N 0.93 1.18 0.00 3.04 2.76 -0.85 -3.10 115.15 119.11 2f71 h HIS 25 Ca 0.34 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2f71 h HIS 25 Cb 0.10 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.73 2f71 h HIS 25 CO -0.04 0.97 -0.40 0.39 -1.30 0.00 0.00 177.93 177.56 2f71 n GLU 26 N -4.23 0.08 -1.80 5.26 -0.58 -0.36 -4.93 120.64 114.07 2f71 n GLU 26 Ca 0.05 0.03 -0.38 0.00 -0.42 0.00 0.00 57.16 56.44 2f71 n GLU 26 Cb 0.28 -1.56 0.04 0.00 -0.57 0.00 0.00 31.44 29.63 2f71 n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f71 s ALA 27 N -3.04 2.78 0.53 0.62 0.00 -0.33 -4.95 121.76 117.37 2f71 s ALA 27 Ca 0.11 1.30 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 2f71 s ALA 27 Cb 0.17 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 2f71 s ALA 27 CO 0.66 -1.36 1.26 0.43 0.00 0.00 0.00 175.76 176.75 2f71 n SER 28 N -1.09 2.27 -3.86 0.00 7.64 -1.26 -5.03 113.62 112.29 2f71 n SER 28 Ca 0.11 0.98 -0.29 0.00 1.01 0.00 0.00 58.87 60.68 2f71 n SER 28 Cb 0.45 -1.52 -0.16 0.00 -1.01 0.00 0.00 64.21 61.97 2f71 n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2f71 s ASP 29 N -0.89 3.20 0.26 6.43 2.15 -1.26 -4.93 116.67 121.62 2f71 s ASP 29 Ca 0.70 -0.88 0.12 0.00 0.43 0.00 0.00 52.55 52.92 2f71 s ASP 29 Cb -0.44 -0.91 -0.05 0.00 -0.30 0.00 0.00 42.92 41.22 2f71 s ASP 29 CO 0.51 -0.24 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.71 2f71 s PHE 30 N 1.62 2.25 0.52 -5.34 0.08 -1.26 -5.13 117.98 110.72 2f71 s PHE 30 Ca -0.02 -0.35 -0.22 0.00 0.12 0.00 0.00 56.93 56.46 2f71 s PHE 30 Cb -0.17 -1.01 -0.06 0.00 -0.57 0.00 0.00 43.02 41.21 2f71 s PHE 30 CO -0.07 0.65 1.28 -1.25 -0.10 0.00 0.00 175.22 175.72 2f71 s PRO 31 N -3.32 3.35 -0.38 0.24 0.04 -1.26 -4.87 135.00 128.80 2f71 s PRO 31 Ca 0.27 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.45 2f71 s PRO 31 Cb -0.05 -2.29 0.44 0.00 0.04 0.00 0.00 34.50 32.64 2f71 s PRO 31 CO 0.13 -0.96 1.07 0.00 0.04 0.00 0.00 177.00 177.29 2f71 h ARG 33 N 2.66 0.17 -0.30 0.00 2.43 -1.94 -2.69 114.38 114.72 2f71 h ARG 33 Ca 0.17 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2f71 h ARG 33 Cb 1.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2f71 h ARG 33 CO 0.71 0.11 0.04 0.28 -1.51 0.00 0.00 179.97 179.60 2f71 h VAL 34 N 0.18 1.24 -0.37 0.20 2.07 -1.92 -2.51 116.25 115.14 2f71 h VAL 34 Ca 0.19 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.95 2f71 h VAL 34 Cb 0.23 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2f71 h VAL 34 CO -0.26 0.27 0.25 0.00 0.02 0.00 0.00 177.57 177.85 2f71 h ALA 35 N 0.87 2.10 -0.01 1.67 0.00 -1.79 -2.00 119.26 120.09 2f71 h ALA 35 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2f71 h ALA 35 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2f71 h ALA 35 CO 0.01 -0.18 -0.02 1.63 0.00 0.00 0.00 179.25 180.68 2f71 n LYS 36 N -4.47 1.55 -1.91 0.00 4.76 -0.98 -4.60 118.16 112.51 2f71 n LYS 36 Ca 0.05 -0.86 -0.41 0.00 -2.87 0.00 0.00 58.31 54.22 2f71 n LYS 36 Cb 0.30 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 2f71 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2f71 s LEU 37 N -2.05 4.36 0.31 -0.35 1.43 -0.75 -4.89 118.68 116.75 2f71 s LEU 37 Ca 0.37 2.91 0.08 0.00 -1.03 0.00 0.00 54.13 56.47 2f71 s LEU 37 Cb 0.21 -3.66 0.88 0.00 0.03 0.00 0.00 46.19 43.65 2f71 s LEU 37 CO 0.35 -0.76 1.69 -0.65 0.23 0.00 0.00 176.35 177.22 2f71 h PRO 38 N 3.31 0.41 0.00 1.29 0.11 -1.91 0.31 132.00 135.53 2f71 h PRO 38 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2f71 h PRO 38 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2f71 h PRO 38 CO 0.66 0.27 0.00 1.57 -0.21 0.00 0.00 178.00 180.29 2f71 h LYS 39 N 0.42 0.00 -0.03 1.05 2.10 -1.95 -2.62 116.57 115.55 2f71 h LYS 39 Ca 0.64 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 2f71 h LYS 39 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2f71 h LYS 39 CO -0.54 0.00 -0.05 0.09 -2.00 0.00 0.00 179.45 176.94 2f71 n ASN 40 N -2.56 2.56 -0.19 7.07 3.02 0.09 -4.56 115.26 120.70 2f71 n ASN 40 Ca 0.00 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.72 2f71 n ASN 40 Cb 0.17 0.05 0.10 0.00 -0.61 0.00 0.00 39.78 39.49 2f71 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2f71 h LYS 41 N 3.94 0.39 -0.01 3.52 3.64 -1.47 -0.07 116.57 126.51 2f71 h LYS 41 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2f71 h LYS 41 Cb 0.87 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2f71 h LYS 41 CO 0.00 0.26 0.00 0.27 -2.27 0.00 0.00 179.45 177.71 2f71 n ASN 42 N -5.00 0.08 -0.58 4.20 0.23 -1.26 -2.64 115.26 110.29 2f71 n ASN 42 Ca 0.08 -1.46 0.12 0.00 -0.53 0.00 0.00 54.58 52.79 2f71 n ASN 42 Cb 0.26 -0.01 0.10 0.00 -2.08 0.00 0.00 39.78 38.06 2f71 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2f71 n ARG 43 N -0.73 1.47 -4.59 -3.83 1.74 -0.04 -4.90 116.66 105.78 2f71 n ARG 43 Ca 0.14 -1.17 -0.33 0.00 -0.77 0.00 0.00 57.85 55.72 2f71 n ARG 43 Cb 0.07 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 29.91 2f71 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2f71 s ASN 44 N -2.33 4.41 0.12 0.55 0.01 -1.08 -4.44 114.94 112.18 2f71 s ASN 44 Ca 0.23 -0.23 -0.08 0.00 -0.71 0.00 0.00 52.86 52.07 2f71 s ASN 44 Cb 0.19 -1.70 -0.11 0.00 0.41 0.00 0.00 41.25 40.04 2f71 s ASN 44 CO 0.48 0.17 1.31 -0.09 -1.51 0.00 0.00 177.10 177.46 2f71 h ARG 45 N 6.70 0.61 -4.90 -0.60 2.43 -1.88 -3.45 114.38 113.29 2f71 h ARG 45 Ca -0.28 -0.55 -0.50 0.00 -0.81 0.00 0.00 59.98 57.83 2f71 h ARG 45 Cb 1.20 0.13 -0.31 0.00 -0.42 0.00 0.00 29.97 30.57 2f71 h ARG 45 CO 0.59 1.17 -0.81 0.71 -1.51 0.00 0.00 179.97 180.12 2f71 s TYR 46 N -3.53 1.36 0.29 2.20 2.02 -1.26 -5.04 117.35 113.40 2f71 s TYR 46 Ca -0.08 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2f71 s TYR 46 Cb 0.09 -0.95 0.66 0.00 -0.40 0.00 0.00 41.96 41.36 2f71 s TYR 46 CO 0.89 -0.16 1.80 -0.09 -1.57 0.00 0.00 175.55 176.42 2f71 h ARG 47 N 6.42 0.84 -0.58 -0.62 2.43 -1.98 -2.91 114.38 117.99 2f71 h ARG 47 Ca -0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2f71 h ARG 47 Cb 1.17 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2f71 h ARG 47 CO 0.48 0.55 0.00 -0.25 -1.51 0.00 0.00 179.97 179.25 2f71 n ASP 48 N -4.71 3.95 -3.97 -3.80 8.00 -1.26 -4.79 116.55 109.97 2f71 n ASP 48 Ca 0.22 -2.21 -0.31 0.00 0.71 0.00 0.00 54.79 53.20 2f71 n ASP 48 Cb 0.48 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.97 2f71 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2f71 s VAL 49 N -1.40 1.66 0.04 2.53 1.01 -1.10 -5.10 120.40 118.05 2f71 s VAL 49 Ca 0.43 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2f71 s VAL 49 Cb 0.25 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2f71 s VAL 49 CO 0.24 -0.03 -0.06 -0.44 0.00 0.00 0.00 175.10 174.81 2f71 s SER 50 N 1.34 0.68 0.28 3.32 0.01 -1.26 -4.63 113.70 113.45 2f71 s SER 50 Ca -0.05 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.35 2f71 s SER 50 Cb -0.18 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.01 2f71 s SER 50 CO -0.06 -0.25 0.99 -2.16 0.41 0.00 0.00 173.24 172.17 2f71 s PRO 51 N -1.70 4.68 0.50 12.44 0.04 -1.26 -4.59 135.00 145.11 2f71 s PRO 51 Ca -0.10 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 2f71 s PRO 51 Cb -0.09 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 2f71 s PRO 51 CO -0.00 0.33 1.30 -0.06 0.04 0.00 0.00 177.00 178.61 2f71 s PHE 52 N -1.31 2.51 0.24 0.56 0.08 -1.26 -4.54 117.98 114.26 2f71 s PHE 52 Ca 0.45 1.42 -0.06 0.00 0.12 0.00 0.00 56.93 58.86 2f71 s PHE 52 Cb -0.26 -3.68 0.32 0.00 -0.57 0.00 0.00 43.02 38.84 2f71 s PHE 52 CO 0.32 -2.44 1.86 -0.44 -0.10 0.00 0.00 175.22 174.43 2f71 h ASP 53 N 1.79 0.88 0.36 1.36 3.32 -1.23 -1.69 116.42 121.20 2f71 h ASP 53 Ca -0.50 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 2f71 h ASP 53 Cb 1.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2f71 h ASP 53 CO 0.59 0.57 -0.21 1.12 -1.72 0.00 0.00 179.24 179.59 2f71 h HIS 54 N 1.02 0.00 -0.05 4.55 2.07 -1.92 -3.17 115.15 117.65 2f71 h HIS 54 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 2f71 h HIS 54 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 2f71 h HIS 54 CO -0.03 0.21 0.00 -1.13 -3.07 0.00 0.00 177.93 173.91 2f71 n SER 55 N -3.90 1.73 -4.76 3.10 3.41 -1.14 -5.04 113.62 107.01 2f71 n SER 55 Ca -0.02 -1.54 -0.36 0.00 -0.26 0.00 0.00 58.87 56.69 2f71 n SER 55 Cb 0.29 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 2f71 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f71 s ARG 56 N -0.61 3.22 -0.05 4.33 1.70 -0.65 -0.78 118.95 126.11 2f71 s ARG 56 Ca 0.05 1.80 -0.29 0.00 -0.47 0.00 0.00 55.73 56.82 2f71 s ARG 56 Cb 0.03 -2.06 -0.02 0.00 -0.57 0.00 0.00 34.95 32.33 2f71 s ARG 56 CO 0.04 -1.00 0.96 0.42 -1.08 0.00 0.00 175.30 174.64 2f71 s ILE 57 N -1.60 4.85 -0.14 4.99 -1.09 -0.53 -4.77 121.20 122.91 2f71 s ILE 57 Ca 0.73 1.99 -0.12 0.00 -2.23 0.00 0.00 60.65 61.02 2f71 s ILE 57 Cb -0.29 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.25 2f71 s ILE 57 CO 0.33 0.10 0.26 -0.54 -1.23 0.00 0.00 174.94 173.87 2f71 s LYS 58 N 1.41 4.09 0.45 2.79 1.02 -1.26 -4.20 119.74 124.03 2f71 s LYS 58 Ca 0.49 0.06 -0.23 0.00 0.02 0.00 0.00 55.97 56.30 2f71 s LYS 58 Cb -0.20 -3.37 -0.08 0.00 -0.52 0.00 0.00 37.83 33.67 2f71 s LYS 58 CO 0.23 0.38 1.16 -0.51 -0.92 0.00 0.00 175.35 175.69 2f71 s LEU 59 N 0.05 4.04 0.00 3.17 1.43 0.22 -5.00 118.68 122.58 2f71 s LEU 59 Ca 0.16 2.29 0.25 0.00 -1.03 0.00 0.00 54.13 55.80 2f71 s LEU 59 Cb -0.13 -4.22 0.56 0.00 0.03 0.00 0.00 46.19 42.43 2f71 s LEU 59 CO 0.04 -0.86 1.45 1.41 0.23 0.00 0.00 176.35 178.61 2f71 n HIS 60 N -0.41 0.00 -0.94 0.29 8.25 -1.26 -4.31 115.22 116.84 2f71 n HIS 60 Ca 0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.17 2f71 n HIS 60 Cb 0.48 -0.21 0.06 0.00 1.12 0.00 0.00 29.99 31.44 2f71 n HIS 60 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f71 n GLN 61 N -1.25 -0.21 0.00 -0.41 10.64 -1.26 -4.96 117.38 119.92 2f71 n GLN 61 Ca 0.07 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 2f71 n GLN 61 Cb 0.34 -1.18 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 2f71 n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2f71 n GLU 62 N 1.47 0.00 0.27 2.61 0.00 -1.26 -4.64 120.64 119.08 2f71 n GLU 62 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 2f71 n GLU 62 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.99 2f71 n GLU 62 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2f71 h ASP 63 N 0.00 -0.55 -2.30 4.31 3.04 -1.97 -3.44 116.42 115.51 2f71 h ASP 63 Ca 0.00 -0.03 -0.02 0.00 -3.24 0.00 0.00 57.03 53.74 2f71 h ASP 63 Cb 0.00 0.14 -0.24 0.00 -1.04 0.00 0.00 39.33 38.19 2f71 h ASP 63 CO 0.00 -0.32 -0.26 0.21 -2.04 0.00 0.00 179.24 176.83 2f71 s ASN 64 N -4.69 -0.66 -0.01 4.15 3.84 -1.26 -5.06 114.94 111.25 2f71 s ASN 64 Ca -0.16 1.26 0.11 0.00 0.21 0.00 0.00 52.86 54.28 2f71 s ASN 64 Cb 0.03 1.76 0.32 0.00 -0.55 0.00 0.00 41.25 42.82 2f71 s ASN 64 CO 0.60 -0.23 1.26 -0.90 -2.79 0.00 0.00 177.10 175.04 2f71 n ASP 65 N 5.39 2.01 -4.69 -4.21 5.68 -1.26 -4.87 116.55 114.60 2f71 n ASP 65 Ca -0.10 -2.02 -0.39 0.00 -0.50 0.00 0.00 54.79 51.77 2f71 n ASP 65 Cb 0.49 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.15 2f71 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2f71 s TYR 66 N -1.53 3.45 0.03 2.11 5.04 -1.26 -0.61 117.35 124.58 2f71 s TYR 66 Ca 0.24 0.88 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 2f71 s TYR 66 Cb 0.13 -2.64 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 2f71 s TYR 66 CO 0.16 0.03 -0.07 -1.50 -1.34 0.00 0.00 175.55 172.83 2f71 s ILE 67 N 1.13 0.51 -1.16 3.14 2.07 -1.26 -4.93 121.20 120.70 2f71 s ILE 67 Ca 0.26 -0.95 -0.19 0.00 -1.41 0.00 0.00 60.65 58.37 2f71 s ILE 67 Cb -0.15 -0.56 0.09 0.00 0.13 0.00 0.00 42.46 41.96 2f71 s ILE 67 CO 0.11 -0.31 1.53 0.21 -1.91 0.00 0.00 174.94 174.57 2f71 s ASN 68 N -1.36 6.75 -0.11 4.50 3.84 -1.26 -4.67 114.94 122.64 2f71 s ASN 68 Ca -0.08 -2.19 -0.22 0.00 0.21 0.00 0.00 52.86 50.57 2f71 s ASN 68 Cb -0.09 -2.53 0.05 0.00 -0.55 0.00 0.00 41.25 38.14 2f71 s ASN 68 CO 0.00 -1.19 0.54 0.00 -2.79 0.00 0.00 177.10 173.66 2f71 s ALA 69 N 3.84 -1.38 0.00 1.71 0.00 -1.26 -2.79 121.76 121.89 2f71 s ALA 69 Ca 0.47 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.66 2f71 s ALA 69 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2f71 s ALA 69 CO -0.01 -0.30 -0.12 -1.12 0.00 0.00 0.00 175.76 174.21 2f71 s SER 70 N -0.61 1.41 -0.35 0.00 0.01 0.06 -1.45 113.70 112.76 2f71 s SER 70 Ca -0.07 -0.27 -0.20 0.00 1.31 0.00 0.00 55.95 56.71 2f71 s SER 70 Cb -0.03 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2f71 s SER 70 CO 0.05 0.11 0.64 -0.22 0.41 0.00 0.00 173.24 174.23 2f71 s LEU 71 N -0.49 4.23 -0.55 2.44 2.96 0.04 -1.08 118.68 126.23 2f71 s LEU 71 Ca 0.03 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.98 2f71 s LEU 71 Cb -0.05 -2.80 0.10 0.00 0.50 0.00 0.00 46.19 43.94 2f71 s LEU 71 CO -0.00 -0.57 0.60 -0.63 -1.32 0.00 0.00 176.35 174.43 2f71 s ILE 72 N 2.70 4.98 -0.50 6.68 1.01 0.81 -4.87 121.20 132.01 2f71 s ILE 72 Ca 0.25 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 2f71 s ILE 72 Cb -0.14 -4.38 0.12 0.00 0.01 0.00 0.00 42.46 38.07 2f71 s ILE 72 CO 0.14 -0.95 0.41 -0.75 0.00 0.00 0.00 174.94 173.80 2f71 s LYS 73 N 2.26 2.69 -0.74 2.79 2.20 -1.26 -1.55 119.74 126.13 2f71 s LYS 73 Ca 0.09 -1.75 -0.22 0.00 -0.36 0.00 0.00 55.97 53.73 2f71 s LYS 73 Cb -0.25 -4.08 0.08 0.00 -1.51 0.00 0.00 37.83 32.07 2f71 s LYS 73 CO 0.06 -1.25 1.04 -1.64 -0.36 0.00 0.00 175.35 173.20 2f71 s MET 74 N 1.45 3.23 0.06 4.03 -1.94 -0.50 -4.92 119.30 120.71 2f71 s MET 74 Ca 0.05 -0.99 -0.24 0.00 -1.71 0.00 0.00 55.69 52.79 2f71 s MET 74 Cb -0.28 -4.42 -0.16 0.00 2.01 0.00 0.00 34.83 31.98 2f71 s MET 74 CO 0.01 -1.85 1.60 1.49 -0.01 0.00 0.00 175.02 176.26 2f71 h GLU 75 N 9.47 -0.08 -0.41 2.03 4.81 -1.95 0.57 114.58 129.01 2f71 h GLU 75 Ca -0.18 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 2f71 h GLU 75 Cb 1.06 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2f71 h GLU 75 CO 1.19 0.06 -0.29 1.49 -0.73 0.00 0.00 179.01 180.73 2f71 h GLU 76 N -0.21 0.89 0.00 1.92 4.81 -1.96 -2.83 114.58 117.21 2f71 h GLU 76 Ca -0.01 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2f71 h GLU 76 Cb 0.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2f71 h GLU 76 CO 0.01 1.06 0.00 0.00 -0.73 0.00 0.00 179.01 179.36 2f71 h ALA 77 N 0.91 1.00 -5.85 2.92 0.00 -1.93 -3.47 119.26 112.84 2f71 h ALA 77 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.61 2f71 h ALA 77 Cb 0.85 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.76 2f71 h ALA 77 CO 0.07 0.00 -0.74 1.04 0.00 0.00 0.00 179.25 179.63 2f71 n GLN 78 N -2.99 -6.91 -3.94 0.00 1.13 0.17 -4.91 117.38 99.93 2f71 n GLN 78 Ca 0.03 0.79 -0.11 0.00 -1.94 0.00 0.00 57.00 55.77 2f71 n GLN 78 Cb 0.42 -5.77 -0.13 0.00 0.11 0.00 0.00 30.24 24.88 2f71 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2f71 s ARG 79 N -5.96 0.18 0.12 -1.09 3.52 -1.08 -4.93 118.95 109.72 2f71 s ARG 79 Ca 0.32 -0.31 0.09 0.00 -0.13 0.00 0.00 55.73 55.70 2f71 s ARG 79 Cb -0.14 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 2f71 s ARG 79 CO 0.75 -0.01 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.88 2f71 s SER 80 N -0.70 2.80 0.04 -2.12 0.01 -1.26 -1.42 113.70 111.05 2f71 s SER 80 Ca -0.07 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.48 2f71 s SER 80 Cb -0.05 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 2f71 s SER 80 CO -0.00 0.08 -0.09 -0.31 0.41 0.00 0.00 173.24 173.33 2f71 s TYR 81 N -1.27 0.80 -0.25 2.43 1.51 -0.60 -3.99 117.35 115.99 2f71 s TYR 81 Ca 0.10 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 2f71 s TYR 81 Cb -0.09 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 2f71 s TYR 81 CO 0.05 -0.04 0.09 0.42 -1.11 0.00 0.00 175.55 174.97 2f71 s ILE 82 N -1.13 4.52 -0.13 2.71 1.01 0.21 -0.13 121.20 128.26 2f71 s ILE 82 Ca -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 2f71 s ILE 82 Cb -0.09 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2f71 s ILE 82 CO 0.01 0.33 0.03 -0.76 0.00 0.00 0.00 174.94 174.55 2f71 s LEU 83 N 1.56 3.70 0.07 2.97 1.02 -0.24 -0.47 118.68 127.30 2f71 s LEU 83 Ca 0.06 0.12 -0.09 0.00 0.02 0.00 0.00 54.13 54.25 2f71 s LEU 83 Cb -0.15 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.17 2f71 s LEU 83 CO 0.05 0.29 0.18 0.28 0.02 0.00 0.00 176.35 177.17 2f71 s THR 84 N -0.31 0.13 0.82 5.49 -1.32 -0.92 -0.76 115.64 118.77 2f71 s THR 84 Ca 0.08 -1.10 -0.11 0.00 -1.21 0.00 0.00 61.69 59.35 2f71 s THR 84 Cb -0.12 -1.19 0.09 0.00 -1.51 0.00 0.00 72.50 69.76 2f71 s THR 84 CO 0.02 -0.61 1.09 0.00 -2.21 0.00 0.00 174.62 172.91 2f71 s GLN 85 N -3.40 1.84 0.14 7.08 -2.07 -1.12 -3.67 119.66 118.46 2f71 s GLN 85 Ca 0.01 1.00 -0.31 0.00 -1.82 0.00 0.00 55.36 54.25 2f71 s GLN 85 Cb 0.03 -1.86 -0.10 0.00 -1.09 0.00 0.00 33.01 29.99 2f71 s GLN 85 CO -0.08 -1.89 1.67 0.20 -1.32 0.00 0.00 175.29 173.87 2f71 s GLY 86 N -3.42 1.44 0.59 2.60 0.00 0.32 -4.85 107.32 103.99 2f71 s GLY 86 Ca 0.62 1.39 -0.20 0.00 0.00 0.00 0.00 44.72 46.54 2f71 s GLY 86 CO 0.56 2.85 1.16 -1.55 0.00 0.00 0.00 173.10 176.12 2f71 n PRO 87 N 4.69 1.20 -2.76 2.90 -0.04 -1.26 -4.69 135.00 135.05 2f71 n PRO 87 Ca 0.15 0.46 -0.23 0.00 -0.04 0.00 0.00 63.50 63.85 2f71 n PRO 87 Cb 0.38 -2.37 0.03 0.00 -0.04 0.00 0.00 33.50 31.50 2f71 n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f71 s LEU 88 N -2.94 3.42 0.55 1.53 1.43 -1.26 -0.69 118.68 120.72 2f71 s LEU 88 Ca 0.76 0.20 0.26 0.00 -1.03 0.00 0.00 54.13 54.32 2f71 s LEU 88 Cb -0.42 -3.07 1.45 0.00 0.03 0.00 0.00 46.19 44.19 2f71 s LEU 88 CO 0.46 -0.96 2.01 -0.65 0.23 0.00 0.00 176.35 177.45 2f71 h PRO 89 N 0.17 0.00 -0.02 1.29 0.11 -1.96 -0.54 132.00 131.04 2f71 h PRO 89 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2f71 h PRO 89 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2f71 h PRO 89 CO 0.56 0.00 -0.04 0.27 -0.21 0.00 0.00 178.00 178.58 2f71 n ASN 90 N -4.19 2.34 -0.04 -2.05 6.94 -1.26 -4.36 115.26 112.63 2f71 n ASN 90 Ca 0.08 -1.75 0.01 0.00 -0.02 0.00 0.00 54.58 52.89 2f71 n ASN 90 Cb 0.54 0.03 0.01 0.00 -2.36 0.00 0.00 39.78 38.01 2f71 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2f71 n THR 91 N 0.78 1.02 -0.02 5.53 -2.24 -0.23 -4.70 114.28 114.43 2f71 n THR 91 Ca 0.15 -1.03 -0.08 0.00 -2.27 0.00 0.00 64.05 60.82 2f71 n THR 91 Cb 0.50 0.48 0.09 0.00 -2.10 0.00 0.00 70.33 69.30 2f71 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f71 h GLY 93 N 1.03 0.90 1.00 0.00 0.00 -1.90 -2.14 103.07 101.96 2f71 h GLY 93 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2f71 h GLY 93 CO 0.08 0.43 0.38 0.45 0.00 0.00 0.00 176.54 177.88 2f71 h HIS 94 N 0.79 0.96 -0.02 5.60 3.86 -1.79 0.06 115.15 124.61 2f71 h HIS 94 Ca 0.20 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2f71 h HIS 94 Cb 0.14 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2f71 h HIS 94 CO 0.00 0.69 -0.06 0.35 0.86 0.00 0.00 177.93 179.77 2f71 h PHE 95 N 0.96 -0.14 -0.06 2.45 3.04 -0.79 -0.75 116.94 121.64 2f71 h PHE 95 Ca 0.24 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.09 2f71 h PHE 95 Cb 0.05 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2f71 h PHE 95 CO -0.00 -0.09 -0.49 -1.49 -2.02 0.00 0.00 178.31 174.22 2f71 h TRP 96 N -0.09 0.18 -0.59 0.41 4.06 -1.23 -1.54 115.95 117.15 2f71 h TRP 96 Ca 0.03 -0.06 0.04 0.00 2.06 0.00 0.00 58.89 60.96 2f71 h TRP 96 Cb 0.13 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 2f71 h TRP 96 CO -0.13 0.61 0.34 1.49 -3.56 0.00 0.00 178.44 177.19 2f71 h GLU 97 N 0.12 0.65 -0.26 0.49 4.81 -0.62 -0.67 114.58 119.10 2f71 h GLU 97 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2f71 h GLU 97 Cb 0.90 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2f71 h GLU 97 CO 0.07 0.43 0.15 1.98 -0.73 0.00 0.00 179.01 180.91 2f71 h MET 98 N 0.67 0.36 -0.55 1.92 4.05 -0.71 0.08 114.93 120.75 2f71 h MET 98 Ca 0.25 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.68 2f71 h MET 98 Cb 0.07 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 2f71 h MET 98 CO -0.12 0.32 0.27 0.28 0.23 0.00 0.00 176.91 177.88 2f71 h VAL 99 N 0.31 0.93 0.31 -5.77 2.07 -0.96 -0.05 116.25 113.08 2f71 h VAL 99 Ca 0.09 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2f71 h VAL 99 Cb 0.06 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2f71 h VAL 99 CO -0.02 0.09 -0.15 -0.25 0.02 0.00 0.00 177.57 177.27 2f71 h TRP 100 N 0.51 -0.38 -0.31 1.57 2.91 -0.79 -2.23 115.95 117.23 2f71 h TRP 100 Ca 0.25 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.18 2f71 h TRP 100 Cb 0.18 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 2f71 h TRP 100 CO -0.11 -0.15 -0.13 0.93 -1.03 0.00 0.00 178.44 177.95 2f71 h GLU 101 N -0.56 0.54 -0.00 2.65 5.08 -0.73 -2.25 114.58 119.31 2f71 h GLU 101 Ca -0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2f71 h GLU 101 Cb 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2f71 h GLU 101 CO 0.07 0.67 -0.10 1.04 -1.00 0.00 0.00 179.01 179.68 2f71 n GLN 102 N -4.19 0.44 -2.23 2.33 1.13 -0.06 -4.95 117.38 109.86 2f71 n GLN 102 Ca 0.01 -0.11 -0.16 0.00 -1.94 0.00 0.00 57.00 54.79 2f71 n GLN 102 Cb 0.34 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 2f71 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2f71 n LYS 103 N -1.18 -1.27 -2.01 -1.09 5.02 -0.85 -3.99 118.16 112.80 2f71 n LYS 103 Ca 0.12 0.80 -0.39 0.00 -2.02 0.00 0.00 58.31 56.82 2f71 n LYS 103 Cb 0.28 -5.18 -0.00 0.00 -0.02 0.00 0.00 35.03 30.12 2f71 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2f71 s SER 104 N -2.32 6.23 -0.11 4.39 0.01 -0.98 -0.99 113.70 119.92 2f71 s SER 104 Ca 0.00 2.70 0.19 0.00 1.31 0.00 0.00 55.95 60.15 2f71 s SER 104 Cb 0.00 -2.64 -0.27 0.00 0.21 0.00 0.00 66.02 63.32 2f71 s SER 104 CO 0.00 -0.91 0.24 -1.14 0.41 0.00 0.00 173.24 171.84 2f71 n ARG 105 N 0.06 0.76 -4.21 12.44 3.00 -1.26 -4.87 116.66 122.58 2f71 n ARG 105 Ca 0.04 -0.09 -0.17 0.00 -0.00 0.00 0.00 57.85 57.62 2f71 n ARG 105 Cb 0.43 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.28 2f71 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2f71 s GLY 106 N -4.89 0.70 -0.11 5.14 0.00 -1.26 -1.28 107.32 105.62 2f71 s GLY 106 Ca -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2f71 s GLY 106 CO 0.81 -0.83 -0.14 0.14 0.00 0.00 0.00 173.10 173.09 2f71 s VAL 107 N -1.05 1.44 -0.23 1.40 1.01 -0.01 -1.80 120.40 121.15 2f71 s VAL 107 Ca -0.02 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 2f71 s VAL 107 Cb -0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2f71 s VAL 107 CO 0.01 0.43 0.02 -0.69 0.00 0.00 0.00 175.10 174.87 2f71 s VAL 108 N 1.02 3.86 -0.19 2.92 1.01 0.14 -0.56 120.40 128.61 2f71 s VAL 108 Ca -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2f71 s VAL 108 Cb -0.15 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 2f71 s VAL 108 CO -0.02 0.38 -0.11 -0.32 0.00 0.00 0.00 175.10 175.03 2f71 s MET 109 N 1.54 3.27 0.00 2.72 0.00 0.28 -0.60 119.30 126.50 2f71 s MET 109 Ca 0.06 -0.70 0.11 0.00 0.00 0.00 0.00 55.69 55.16 2f71 s MET 109 Cb -0.15 -2.79 0.26 0.00 0.00 0.00 0.00 34.83 32.15 2f71 s MET 109 CO 0.00 -0.10 1.17 1.28 0.00 0.00 0.00 175.02 177.37 2f71 n LEU 110 N 4.43 2.71 -4.56 4.11 4.77 -0.11 -0.59 117.00 127.76 2f71 n LEU 110 Ca -0.19 -1.76 -0.26 0.00 -0.03 0.00 0.00 56.01 53.77 2f71 n LEU 110 Cb 0.51 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 2f71 n LEU 110 CO 0.28 0.65 -0.25 0.54 -1.33 0.00 0.00 177.39 177.29 2f71 s ASN 111 N -0.99 3.10 0.19 -1.43 4.22 -1.25 -4.51 114.94 114.26 2f71 s ASN 111 Ca 0.21 -1.52 0.05 0.00 -2.14 0.00 0.00 52.86 49.47 2f71 s ASN 111 Cb 0.12 0.15 -0.04 0.00 1.28 0.00 0.00 41.25 42.76 2f71 s ASN 111 CO 0.16 -0.72 0.17 -0.13 -2.04 0.00 0.00 177.10 174.53 2f71 s ARG 112 N -3.81 2.96 0.23 3.55 0.52 -1.26 -4.82 118.95 116.32 2f71 s ARG 112 Ca 0.26 -0.89 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 2f71 s ARG 112 Cb 0.06 -2.65 0.20 0.00 0.52 0.00 0.00 34.95 33.07 2f71 s ARG 112 CO 0.13 0.47 1.82 -0.39 0.02 0.00 0.00 175.30 177.34 2f71 h VAL 113 N 1.87 1.26 -3.36 3.52 -1.51 -1.93 -3.40 116.25 112.70 2f71 h VAL 113 Ca -0.48 -0.75 -0.66 0.00 -1.23 0.00 0.00 66.70 63.59 2f71 h VAL 113 Cb 1.21 0.20 -0.27 0.00 -2.13 0.00 0.00 31.29 30.30 2f71 h VAL 113 CO 0.63 0.32 -0.73 -0.32 -1.23 0.00 0.00 177.57 176.24 2f71 s MET 114 N -5.66 3.40 -0.04 5.19 -2.45 -1.26 -0.62 119.30 117.86 2f71 s MET 114 Ca -0.12 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.70 2f71 s MET 114 Cb 0.16 -2.90 0.01 0.00 1.25 0.00 0.00 34.83 33.35 2f71 s MET 114 CO 0.83 -0.06 -0.07 -1.21 1.05 0.00 0.00 175.02 175.56 2f71 s GLU 115 N 1.10 1.00 -1.55 4.11 2.02 -0.39 -4.85 118.70 120.13 2f71 s GLU 115 Ca 0.01 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.64 2f71 s GLU 115 Cb -0.15 -0.93 0.09 0.00 0.10 0.00 0.00 34.13 33.25 2f71 s GLU 115 CO -0.01 0.01 0.94 1.63 0.02 0.00 0.00 175.26 177.85 2f71 n LYS 116 N 3.71 -5.12 -0.60 1.61 5.02 -1.26 -1.70 118.16 119.82 2f71 n LYS 116 Ca -0.22 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2f71 n LYS 116 Cb 0.52 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 2f71 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f71 n GLY 117 N -1.65 1.36 3.32 0.72 0.00 -1.26 -4.99 105.19 102.68 2f71 n GLY 117 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2f71 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f71 s SER 118 N -3.19 2.38 -0.49 1.61 0.01 -0.69 -5.10 113.70 108.23 2f71 s SER 118 Ca 0.00 -1.01 -0.21 0.00 1.31 0.00 0.00 55.95 56.05 2f71 s SER 118 Cb 0.00 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.17 2f71 s SER 118 CO 0.00 -0.20 0.70 -0.76 0.41 0.00 0.00 173.24 173.39 2f71 s LEU 119 N -3.23 4.62 0.00 2.44 2.01 -1.26 -1.26 118.68 121.99 2f71 s LEU 119 Ca 0.20 -0.59 0.22 0.00 0.01 0.00 0.00 54.13 53.97 2f71 s LEU 119 Cb -0.00 -2.63 -0.08 0.00 0.01 0.00 0.00 46.19 43.49 2f71 s LEU 119 CO 0.05 -0.93 1.02 0.29 1.01 0.00 0.00 176.35 177.79 2f71 n LYS 120 N 6.49 0.51 -3.63 1.70 4.76 0.20 -4.92 118.16 123.27 2f71 n LYS 120 Ca -0.03 -0.41 -0.11 0.00 -2.87 0.00 0.00 58.31 54.89 2f71 n LYS 120 Cb 0.47 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 2f71 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2f71 s ALA 122 N 0.16 2.55 -1.15 0.00 0.00 0.13 -4.66 121.76 118.80 2f71 s ALA 122 Ca 0.02 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 2f71 s ALA 122 Cb -0.05 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.94 2f71 s ALA 122 CO -0.04 -1.37 1.55 -1.14 0.00 0.00 0.00 175.76 174.76 2f71 s GLN 123 N -4.94 3.82 0.00 0.00 2.00 -1.26 -4.78 119.66 114.49 2f71 s GLN 123 Ca 0.59 -1.71 0.26 0.00 -2.00 0.00 0.00 55.36 52.50 2f71 s GLN 123 Cb -0.15 -5.37 0.70 0.00 0.80 0.00 0.00 33.01 28.99 2f71 s GLN 123 CO 0.54 -2.15 1.54 2.48 -0.50 0.00 0.00 175.29 177.20 2f71 n TYR 124 N 8.14 0.00 -4.24 1.67 4.11 -1.26 -4.86 117.16 120.71 2f71 n TYR 124 Ca 0.40 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 58.12 2f71 n TYR 124 Cb 0.48 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.34 39.67 2f71 n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 2f71 s TRP 125 N -2.22 1.40 0.18 -3.48 -2.14 -1.26 -5.05 118.94 106.37 2f71 s TRP 125 Ca 0.30 -0.56 -0.30 0.00 2.66 0.00 0.00 56.10 58.20 2f71 s TRP 125 Cb 0.20 -0.73 -0.07 0.00 -3.10 0.00 0.00 33.47 29.77 2f71 s TRP 125 CO 0.42 0.14 1.02 -1.25 -2.66 0.00 0.00 176.95 174.62 2f71 s PRO 126 N -2.72 4.69 0.12 3.25 0.04 -1.26 -4.95 135.00 134.17 2f71 s PRO 126 Ca 0.09 1.59 0.24 0.00 0.04 0.00 0.00 61.00 62.97 2f71 s PRO 126 Cb -0.05 -3.30 0.37 0.00 0.04 0.00 0.00 34.50 31.56 2f71 s PRO 126 CO 0.03 0.22 1.34 1.04 0.04 0.00 0.00 177.00 179.67 2f71 n GLN 127 N 2.25 0.28 -4.32 4.56 6.02 -1.26 -4.62 117.38 120.29 2f71 n GLN 127 Ca 0.01 0.09 -0.19 0.00 -0.01 0.00 0.00 57.00 56.91 2f71 n GLN 127 Cb 0.47 -1.69 -0.15 0.00 1.02 0.00 0.00 30.24 29.90 2f71 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2f71 s LYS 128 N -3.16 0.76 0.26 -1.09 1.02 -1.26 -5.05 119.74 111.22 2f71 s LYS 128 Ca 0.07 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 2f71 s LYS 128 Cb 0.13 -0.73 0.53 0.00 -0.52 0.00 0.00 37.83 37.24 2f71 s LYS 128 CO 0.71 0.13 1.73 0.93 -0.92 0.00 0.00 175.35 177.93 2f71 h GLU 129 N 6.21 0.46 -0.00 1.68 3.07 -1.90 -1.77 114.58 122.34 2f71 h GLU 129 Ca -0.32 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 2f71 h GLU 129 Cb 1.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2f71 h GLU 129 CO 0.49 0.31 -0.02 -0.85 -1.40 0.00 0.00 179.01 177.54 2f71 n GLU 130 N -4.98 0.97 -3.63 2.33 0.00 -1.26 -4.19 120.64 109.89 2f71 n GLU 130 Ca 0.17 -0.19 -0.27 0.00 0.00 0.00 0.00 57.16 56.86 2f71 n GLU 130 Cb 0.47 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.31 2f71 n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2f71 n LYS 131 N -0.85 2.01 -1.32 3.44 5.02 -0.66 -5.10 118.16 120.69 2f71 n LYS 131 Ca 0.20 -4.45 -0.30 0.00 -2.02 0.00 0.00 58.31 51.75 2f71 n LYS 131 Cb 0.19 -2.19 0.11 0.00 -0.02 0.00 0.00 35.03 33.13 2f71 n LYS 131 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2f71 s GLU 132 N -1.83 1.69 -0.09 1.97 1.03 -1.26 -4.64 118.70 115.57 2f71 s GLU 132 Ca 0.32 0.82 0.01 0.00 0.03 0.00 0.00 54.97 56.15 2f71 s GLU 132 Cb 0.06 -1.86 -0.02 0.00 -0.80 0.00 0.00 34.13 31.50 2f71 s GLU 132 CO -0.10 -1.94 -0.10 -1.64 -1.33 0.00 0.00 175.26 170.15 2f71 s MET 133 N -5.00 2.99 -0.15 -4.83 -1.94 -0.07 -4.97 119.30 105.34 2f71 s MET 133 Ca 0.62 -0.62 0.00 0.00 -1.71 0.00 0.00 55.69 53.98 2f71 s MET 133 Cb -0.17 -2.59 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 2f71 s MET 133 CO 0.56 0.46 -0.15 0.42 -0.01 0.00 0.00 175.02 176.31 2f71 s ILE 134 N -0.29 2.76 -0.51 2.53 -1.09 -1.26 -0.54 121.20 122.81 2f71 s ILE 134 Ca 0.03 -0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 57.58 2f71 s ILE 134 Cb -0.13 -2.16 0.13 0.00 -1.58 0.00 0.00 42.46 38.72 2f71 s ILE 134 CO 0.03 0.52 0.43 -0.36 -1.23 0.00 0.00 174.94 174.32 2f71 s PHE 135 N 0.67 3.35 0.17 3.97 0.08 0.33 -4.94 117.98 121.61 2f71 s PHE 135 Ca -0.07 -1.60 -0.08 0.00 0.12 0.00 0.00 56.93 55.30 2f71 s PHE 135 Cb -0.16 -3.65 0.04 0.00 -0.57 0.00 0.00 43.02 38.69 2f71 s PHE 135 CO 0.02 -1.01 1.51 0.93 -0.10 0.00 0.00 175.22 176.58 2f71 h GLU 136 N 8.65 0.81 -0.97 0.44 4.39 -1.98 -0.35 114.58 125.57 2f71 h GLU 136 Ca -0.25 -0.43 0.09 0.00 0.34 0.00 0.00 59.36 59.11 2f71 h GLU 136 Cb 1.08 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 2f71 h GLU 136 CO 0.95 1.06 0.62 0.38 -1.16 0.00 0.00 179.01 180.86 2f71 h ASP 137 N 0.67 0.94 -0.18 1.42 2.03 -1.96 -3.14 116.42 116.19 2f71 h ASP 137 Ca 0.05 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 2f71 h ASP 137 Cb 0.96 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 2f71 h ASP 137 CO 0.09 0.57 0.00 0.35 -1.03 0.00 0.00 179.24 179.22 2f71 n THR 138 N -4.53 0.75 -3.67 1.15 -2.24 -1.16 -5.01 114.28 99.56 2f71 n THR 138 Ca 0.16 -0.88 -0.23 0.00 -2.27 0.00 0.00 64.05 60.84 2f71 n THR 138 Cb 0.26 0.66 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 2f71 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2f71 n ASN 139 N 0.23 -2.38 -4.16 3.42 5.15 -0.19 -4.93 115.26 112.40 2f71 n ASN 139 Ca 0.07 -0.86 -0.20 0.00 -0.60 0.00 0.00 54.58 52.99 2f71 n ASN 139 Cb 0.32 -3.98 -0.13 0.00 -0.53 0.00 0.00 39.78 35.46 2f71 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f71 s LEU 140 N -6.53 2.21 0.04 1.20 1.43 -0.93 -0.95 118.68 115.15 2f71 s LEU 140 Ca 0.13 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 2f71 s LEU 140 Cb -0.04 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 2f71 s LEU 140 CO 0.82 0.01 -0.24 -0.75 0.23 0.00 0.00 176.35 176.41 2f71 s LYS 141 N -1.36 1.65 -0.07 1.70 2.20 -0.18 -0.51 119.74 123.17 2f71 s LYS 141 Ca 0.01 -1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 54.58 2f71 s LYS 141 Cb -0.09 -1.79 0.03 0.00 -1.51 0.00 0.00 37.83 34.47 2f71 s LYS 141 CO 0.02 0.46 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.29 2f71 s LEU 142 N -1.18 0.74 -0.04 5.43 2.96 0.30 -0.44 118.68 126.45 2f71 s LEU 142 Ca 0.10 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2f71 s LEU 142 Cb -0.09 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 2f71 s LEU 142 CO 0.02 -0.17 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.78 2f71 s THR 143 N 1.78 1.68 -0.10 3.68 2.01 -0.25 -0.89 115.64 123.56 2f71 s THR 143 Ca 0.02 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 2f71 s THR 143 Cb -0.13 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2f71 s THR 143 CO -0.05 0.48 1.22 -0.22 -0.69 0.00 0.00 174.62 175.37 2f71 s LEU 144 N -0.13 4.24 -0.20 4.42 2.96 -1.26 -0.85 118.68 127.86 2f71 s LEU 144 Ca -0.01 1.77 -0.08 0.00 -0.22 0.00 0.00 54.13 55.58 2f71 s LEU 144 Cb -0.12 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.82 2f71 s LEU 144 CO 0.02 -0.65 0.05 -0.38 -1.32 0.00 0.00 176.35 174.07 2f71 n ILE 145 N 4.91 1.61 -3.63 6.68 2.08 0.50 -4.34 119.36 127.16 2f71 n ILE 145 Ca 0.12 -0.47 -0.05 0.00 0.56 0.00 0.00 62.75 62.91 2f71 n ILE 145 Cb 0.46 -1.73 -0.02 0.00 -0.75 0.00 0.00 39.64 37.60 2f71 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2f71 s SER 146 N -6.94 -0.25 -0.01 4.38 1.04 -1.11 -5.00 113.70 105.81 2f71 s SER 146 Ca -0.30 -0.20 -0.09 0.00 0.48 0.00 0.00 55.95 55.83 2f71 s SER 146 Cb 0.08 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2f71 s SER 146 CO 0.64 -0.73 0.20 -1.83 0.98 0.00 0.00 173.24 172.50 2f71 s GLU 147 N -3.14 0.50 -0.30 4.02 -1.05 -1.26 -0.80 118.70 116.67 2f71 s GLU 147 Ca 0.09 -0.23 0.02 0.00 -0.15 0.00 0.00 54.97 54.70 2f71 s GLU 147 Cb -0.01 0.21 0.08 0.00 -0.44 0.00 0.00 34.13 33.98 2f71 s GLU 147 CO -0.03 -0.12 0.01 0.34 0.95 0.00 0.00 175.26 176.41 2f71 s ASP 148 N -1.13 4.42 -0.33 0.83 2.15 0.67 -5.00 116.67 118.27 2f71 s ASP 148 Ca -0.12 -1.75 -0.19 0.00 0.43 0.00 0.00 52.55 50.92 2f71 s ASP 148 Cb -0.06 -1.41 -0.01 0.00 -0.30 0.00 0.00 42.92 41.14 2f71 s ASP 148 CO 0.02 -0.32 0.56 -0.63 -0.17 0.00 0.00 175.17 174.63 2f71 s ILE 149 N 1.14 4.98 0.51 4.11 1.01 -1.26 -1.23 121.20 130.46 2f71 s ILE 149 Ca 0.04 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.29 2f71 s ILE 149 Cb -0.19 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.36 2f71 s ILE 149 CO -0.10 -0.19 0.49 0.29 0.00 0.00 0.00 174.94 175.43 2f71 n LYS 150 N 5.82 0.71 0.10 2.79 4.76 0.44 -5.01 118.16 127.78 2f71 n LYS 150 Ca -0.03 -3.06 -0.01 0.00 -2.87 0.00 0.00 58.31 52.33 2f71 n LYS 150 Cb 0.49 0.16 0.25 0.00 -1.84 0.00 0.00 35.03 34.09 2f71 n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2f71 h SER 151 N 0.44 0.23 0.00 4.39 4.64 -0.98 -3.32 113.55 118.95 2f71 h SER 151 Ca -0.30 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2f71 h SER 151 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2f71 h SER 151 CO 0.45 0.60 0.00 0.00 -0.87 0.00 0.00 176.83 177.01 2f71 n TYR 152 N -4.05 0.00 -3.57 4.77 4.11 -1.26 -5.01 117.16 112.15 2f71 n TYR 152 Ca -0.01 -0.15 -0.11 0.00 -0.00 0.00 0.00 57.90 57.63 2f71 n TYR 152 Cb 0.46 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.74 2f71 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2f71 s TYR 153 N -0.29 -0.31 -0.03 -3.48 1.13 -1.25 -1.18 117.35 111.94 2f71 s TYR 153 Ca 0.00 0.05 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 2f71 s TYR 153 Cb 0.00 0.34 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 2f71 s TYR 153 CO 0.00 -0.73 -0.06 0.99 -2.51 0.00 0.00 175.55 173.23 2f71 s THR 154 N -3.67 0.60 -0.16 -3.49 2.01 -0.30 -0.42 115.64 110.21 2f71 s THR 154 Ca 0.02 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 2f71 s THR 154 Cb 0.01 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2f71 s THR 154 CO -0.11 0.20 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 2f71 s VAL 155 N 0.34 3.66 0.01 3.82 1.01 -0.37 -0.63 120.40 128.24 2f71 s VAL 155 Ca -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2f71 s VAL 155 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2f71 s VAL 155 CO 0.00 0.49 -0.22 -0.13 0.00 0.00 0.00 175.10 175.24 2f71 s ARG 156 N 0.48 2.07 -0.25 2.72 0.52 0.13 -0.24 118.95 124.38 2f71 s ARG 156 Ca -0.05 -0.96 -0.10 0.00 -0.52 0.00 0.00 55.73 54.10 2f71 s ARG 156 Cb -0.15 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 2f71 s ARG 156 CO 0.03 0.55 0.15 -0.65 0.02 0.00 0.00 175.30 175.40 2f71 s GLN 157 N -1.06 3.95 0.19 3.54 -0.21 0.02 -0.60 119.66 125.49 2f71 s GLN 157 Ca 0.12 -0.33 0.11 0.00 0.02 0.00 0.00 55.36 55.28 2f71 s GLN 157 Cb -0.10 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 2f71 s GLN 157 CO 0.02 -0.05 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.42 2f71 s LEU 158 N 1.35 2.56 -0.20 2.90 1.43 0.21 -0.37 118.68 126.57 2f71 s LEU 158 Ca 0.07 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2f71 s LEU 158 Cb -0.15 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2f71 s LEU 158 CO 0.06 0.12 -0.14 -0.70 0.23 0.00 0.00 176.35 175.92 2f71 s GLU 159 N -2.69 3.14 -0.18 1.70 2.12 -0.03 -0.91 118.70 121.85 2f71 s GLU 159 Ca 0.22 -0.75 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 2f71 s GLU 159 Cb -0.08 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 2f71 s GLU 159 CO 0.11 -0.20 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.45 2f71 s LEU 160 N 1.36 3.34 -0.10 2.70 2.96 -0.12 -1.09 118.68 127.72 2f71 s LEU 160 Ca 0.05 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2f71 s LEU 160 Cb -0.13 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2f71 s LEU 160 CO -0.09 0.11 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.12 2f71 s GLU 161 N 0.71 2.97 -0.46 1.98 2.12 0.42 -0.61 118.70 125.83 2f71 s GLU 161 Ca -0.00 -0.85 -0.26 0.00 0.36 0.00 0.00 54.97 54.21 2f71 s GLU 161 Cb -0.14 -2.25 0.03 0.00 0.26 0.00 0.00 34.13 32.03 2f71 s GLU 161 CO 0.02 0.17 0.99 1.21 -0.54 0.00 0.00 175.26 177.11 2f71 s ASN 162 N 0.36 6.55 0.48 -1.70 3.84 -0.32 -1.01 114.94 123.14 2f71 s ASN 162 Ca -0.19 0.25 0.28 0.00 0.21 0.00 0.00 52.86 53.41 2f71 s ASN 162 Cb -0.18 -2.48 1.05 0.00 -0.55 0.00 0.00 41.25 39.10 2f71 s ASN 162 CO 0.09 -1.10 1.87 -0.07 -2.79 0.00 0.00 177.10 175.10 2f71 h LEU 163 N 10.72 0.00 -0.65 3.21 3.38 -1.35 0.58 115.31 131.21 2f71 h LEU 163 Ca -0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2f71 h LEU 163 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2f71 h LEU 163 CO 1.05 0.12 -0.05 0.74 0.09 0.00 0.00 178.44 180.40 2f71 h THR 164 N 0.00 1.26 0.00 0.22 2.02 -1.91 -3.32 112.91 111.18 2f71 h THR 164 Ca -0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2f71 h THR 164 Cb 0.67 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2f71 h THR 164 CO 0.02 0.42 -0.93 0.35 0.37 0.00 0.00 175.52 175.75 2f71 n THR 165 N -4.17 0.00 -1.12 3.16 -2.24 -1.09 -5.00 114.28 103.82 2f71 n THR 165 Ca 0.02 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 2f71 n THR 165 Cb 0.37 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 2f71 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f71 n GLN 166 N -1.52 -1.30 -2.39 -0.78 6.02 0.20 -5.01 117.38 112.62 2f71 n GLN 166 Ca 0.01 0.53 -0.38 0.00 -0.01 0.00 0.00 57.00 57.15 2f71 n GLN 166 Cb 0.23 -4.60 -0.03 0.00 1.02 0.00 0.00 30.24 26.86 2f71 n GLN 166 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2f71 s GLU 167 N -1.91 4.13 0.12 -1.09 2.02 -1.21 -4.83 118.70 115.92 2f71 s GLU 167 Ca 0.00 1.73 0.09 0.00 0.02 0.00 0.00 54.97 56.81 2f71 s GLU 167 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2f71 s GLU 167 CO 0.00 -0.22 -0.23 0.95 0.02 0.00 0.00 175.26 175.78 2f71 s THR 168 N -1.47 1.91 0.01 3.63 -4.23 -1.26 -1.18 115.64 113.05 2f71 s THR 168 Ca 0.56 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 2f71 s THR 168 Cb -0.28 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2f71 s THR 168 CO 0.35 -0.03 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.23 2f71 s ARG 169 N -2.04 0.30 -0.10 3.99 0.52 0.22 -4.99 118.95 116.84 2f71 s ARG 169 Ca 0.10 -0.37 -0.24 0.00 -0.52 0.00 0.00 55.73 54.70 2f71 s ARG 169 Cb -0.10 -0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.21 2f71 s ARG 169 CO 0.05 0.03 0.75 -2.00 0.02 0.00 0.00 175.30 174.15 2f71 s GLU 170 N -0.75 4.38 -0.11 3.54 2.12 -1.26 -0.95 118.70 125.67 2f71 s GLU 170 Ca -0.06 0.93 0.02 0.00 0.36 0.00 0.00 54.97 56.22 2f71 s GLU 170 Cb -0.05 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 2f71 s GLU 170 CO -0.00 -0.09 -0.17 0.42 -0.54 0.00 0.00 175.26 174.88 2f71 s ILE 171 N 1.32 2.74 -0.15 -3.70 -1.09 -0.08 -4.86 121.20 115.38 2f71 s ILE 171 Ca 0.38 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.90 2f71 s ILE 171 Cb -0.17 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.55 2f71 s ILE 171 CO 0.16 0.54 0.24 -0.76 -1.23 0.00 0.00 174.94 173.90 2f71 s LEU 172 N 0.21 4.28 -0.19 2.97 2.01 -0.40 -0.62 118.68 126.94 2f71 s LEU 172 Ca -0.10 0.48 -0.02 0.00 0.01 0.00 0.00 54.13 54.50 2f71 s LEU 172 Cb -0.16 -2.28 -0.00 0.00 0.01 0.00 0.00 46.19 43.76 2f71 s LEU 172 CO 0.06 0.19 -0.10 -2.28 1.01 0.00 0.00 176.35 175.22 2f71 s HIS 173 N 0.06 2.88 -0.32 0.29 5.65 0.23 -0.83 115.29 123.25 2f71 s HIS 173 Ca 0.15 -1.08 -0.03 0.00 0.25 0.00 0.00 55.06 54.35 2f71 s HIS 173 Cb -0.13 -2.00 0.05 0.00 -1.18 0.00 0.00 32.58 29.32 2f71 s HIS 173 CO 0.03 -0.56 0.04 -0.06 -0.65 0.00 0.00 174.74 173.55 2f71 s PHE 174 N 1.21 3.29 -0.34 3.88 0.08 0.28 -0.69 117.98 125.69 2f71 s PHE 174 Ca 0.02 -1.80 -0.03 0.00 0.12 0.00 0.00 56.93 55.24 2f71 s PHE 174 Cb -0.14 -2.24 0.07 0.00 -0.57 0.00 0.00 43.02 40.13 2f71 s PHE 174 CO -0.04 -0.80 0.07 -1.58 -0.10 0.00 0.00 175.22 172.77 2f71 s HIS 175 N 1.28 3.37 -0.38 0.36 2.46 0.20 -0.55 115.29 122.03 2f71 s HIS 175 Ca -0.03 -2.00 -0.26 0.00 0.47 0.00 0.00 55.06 53.24 2f71 s HIS 175 Cb -0.20 -2.47 0.02 0.00 -0.13 0.00 0.00 32.58 29.79 2f71 s HIS 175 CO -0.00 -0.85 0.92 -0.47 -2.47 0.00 0.00 174.74 171.87 2f71 s TYR 176 N 1.23 3.07 -2.40 3.88 6.14 0.25 -1.15 117.35 128.37 2f71 s TYR 176 Ca -0.00 0.73 0.22 0.00 0.64 0.00 0.00 57.07 58.65 2f71 s TYR 176 Cb -0.21 -3.66 0.09 0.00 0.42 0.00 0.00 41.96 38.60 2f71 s TYR 176 CO -0.02 -0.84 1.13 0.25 0.64 0.00 0.00 175.55 176.71 2f71 n THR 177 N 6.00 0.00 -2.17 4.34 -2.24 -0.33 -3.94 114.28 115.94 2f71 n THR 177 Ca 0.07 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 2f71 n THR 177 Cb 0.48 1.36 0.08 0.00 -2.10 0.00 0.00 70.33 70.15 2f71 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2f71 n THR 178 N 0.63 1.63 -3.66 4.28 -2.24 -1.24 -4.83 114.28 108.85 2f71 n THR 178 Ca 0.11 -2.98 -0.39 0.00 -2.27 0.00 0.00 64.05 58.53 2f71 n THR 178 Cb 0.51 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 2f71 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2f71 s TRP 179 N -2.77 3.45 0.52 4.78 -0.11 -1.26 -4.69 118.94 118.87 2f71 s TRP 179 Ca 0.39 -1.98 -0.22 0.00 1.22 0.00 0.00 56.10 55.51 2f71 s TRP 179 Cb 0.38 -3.22 -0.05 0.00 -1.50 0.00 0.00 33.47 29.07 2f71 s TRP 179 CO -0.05 -0.95 1.26 -2.14 -4.62 0.00 0.00 176.95 170.45 2f71 s PRO 180 N 1.30 3.33 0.35 5.86 0.02 -1.26 -4.77 135.00 139.83 2f71 s PRO 180 Ca 0.05 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 2f71 s PRO 180 Cb -0.24 -2.25 -0.11 0.00 0.02 0.00 0.00 34.50 31.92 2f71 s PRO 180 CO -0.01 -0.96 1.48 0.34 -0.33 0.00 0.00 177.00 177.52 2f71 s ASP 181 N -1.22 6.42 -1.56 2.53 2.15 -1.26 -1.10 116.67 122.63 2f71 s ASP 181 Ca 0.70 2.96 0.00 0.00 0.43 0.00 0.00 52.55 56.64 2f71 s ASP 181 Cb -0.34 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.62 2f71 s ASP 181 CO 0.40 -0.83 0.00 0.49 -0.17 0.00 0.00 175.17 175.06 2f71 n PHE 182 N 0.96 -0.65 -4.01 -5.34 3.01 -1.26 -4.94 117.46 105.24 2f71 n PHE 182 Ca 0.03 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.48 2f71 n PHE 182 Cb 0.39 -3.05 -0.00 0.00 -0.01 0.00 0.00 39.48 36.81 2f71 n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f71 n GLY 183 N -0.54 4.17 3.32 1.37 0.00 -0.26 -4.94 105.19 108.31 2f71 n GLY 183 Ca -0.17 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.52 2f71 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f71 s VAL 184 N -1.15 1.68 0.96 1.61 -7.23 -1.26 -4.81 120.40 110.20 2f71 s VAL 184 Ca 0.00 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.01 2f71 s VAL 184 Cb 0.00 -1.90 0.17 0.00 0.56 0.00 0.00 36.38 35.20 2f71 s VAL 184 CO 0.00 -0.50 1.09 -2.65 -0.31 0.00 0.00 175.10 172.74 2f71 n PRO 185 N -0.05 -0.76 0.14 4.82 -0.02 -1.26 -4.53 135.00 133.34 2f71 n PRO 185 Ca -0.11 -0.16 0.02 0.00 -2.02 0.00 0.00 63.50 61.23 2f71 n PRO 185 Cb 0.59 -2.32 0.37 0.00 -0.02 0.00 0.00 33.50 32.11 2f71 n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2f71 h GLU 186 N -2.01 0.17 -3.25 -0.52 5.08 -1.97 -3.45 114.58 108.62 2f71 h GLU 186 Ca -0.46 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 2f71 h GLU 186 Cb 1.28 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.39 2f71 h GLU 186 CO 0.42 0.39 0.03 -1.54 -1.00 0.00 0.00 179.01 177.32 2f71 s SER 187 N -6.90 -0.35 0.27 1.42 1.04 -1.26 -5.00 113.70 102.91 2f71 s SER 187 Ca -0.05 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 2f71 s SER 187 Cb 0.15 0.52 0.58 0.00 0.10 0.00 0.00 66.02 67.37 2f71 s SER 187 CO 0.73 -0.91 1.72 -0.65 0.98 0.00 0.00 173.24 175.12 2f71 h PRO 188 N 2.23 0.44 -0.24 4.02 0.11 -1.93 -2.27 132.00 134.36 2f71 h PRO 188 Ca -0.34 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.77 2f71 h PRO 188 Cb 1.28 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2f71 h PRO 188 CO 0.43 0.29 0.09 0.00 -0.21 0.00 0.00 178.00 178.60 2f71 h ALA 189 N 1.62 0.27 -0.45 -0.75 0.00 -1.95 0.92 119.26 118.91 2f71 h ALA 189 Ca 0.48 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.43 2f71 h ALA 189 Cb 0.81 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2f71 h ALA 189 CO -0.46 -0.32 0.29 0.77 0.00 0.00 0.00 179.25 179.53 2f71 h SER 190 N 0.20 0.48 -0.04 0.00 0.02 -1.73 0.39 113.55 112.89 2f71 h SER 190 Ca 0.10 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2f71 h SER 190 Cb 0.06 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2f71 h SER 190 CO -0.10 0.35 0.02 0.15 -1.14 0.00 0.00 176.83 176.11 2f71 h PHE 191 N 0.58 0.05 -0.41 3.45 3.57 -1.11 -2.71 116.94 120.37 2f71 h PHE 191 Ca 0.17 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 2f71 h PHE 191 Cb -0.04 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2f71 h PHE 191 CO -0.05 0.10 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.78 2f71 h LEU 192 N -0.01 0.91 -0.80 0.59 3.38 -0.62 0.17 115.31 118.93 2f71 h LEU 192 Ca 0.01 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.71 2f71 h LEU 192 Cb 0.07 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 2f71 h LEU 192 CO -0.00 1.12 0.45 -1.13 0.09 0.00 0.00 178.44 178.97 2f71 h ASN 193 N 0.74 0.65 -0.16 -0.43 -1.24 -0.93 0.65 115.58 114.87 2f71 h ASN 193 Ca 0.09 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 2f71 h ASN 193 Cb 0.83 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.80 2f71 h ASN 193 CO 0.07 0.38 -0.07 0.15 -1.29 0.00 0.00 177.43 176.68 2f71 h PHE 194 N 0.78 0.37 -0.66 0.67 3.57 -1.12 -2.12 116.94 118.43 2f71 h PHE 194 Ca 0.38 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.83 2f71 h PHE 194 Cb 0.32 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2f71 h PHE 194 CO -0.07 0.63 0.39 1.25 -2.23 0.00 0.00 178.31 178.29 2f71 h LEU 195 N -0.00 0.62 -1.33 0.59 5.85 -0.61 -1.82 115.31 118.60 2f71 h LEU 195 Ca 0.04 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2f71 h LEU 195 Cb 0.53 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2f71 h LEU 195 CO 0.02 0.42 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.96 2f71 h PHE 196 N 0.75 0.03 -0.44 1.25 -1.00 -0.84 0.01 116.94 116.71 2f71 h PHE 196 Ca 0.28 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 2f71 h PHE 196 Cb 0.09 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 2f71 h PHE 196 CO -0.06 0.34 0.24 -0.22 -1.61 0.00 0.00 178.31 177.01 2f71 h LYS 197 N 0.03 0.60 -0.14 1.51 1.63 -0.64 0.12 116.57 119.68 2f71 h LYS 197 Ca 0.00 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2f71 h LYS 197 Cb 0.57 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2f71 h LYS 197 CO 0.04 0.48 0.07 0.28 -3.45 0.00 0.00 179.45 176.87 2f71 h VAL 198 N 0.57 1.11 -0.59 2.00 2.07 -0.83 -2.72 116.25 117.86 2f71 h VAL 198 Ca 0.15 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2f71 h VAL 198 Cb 0.04 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2f71 h VAL 198 CO -0.03 0.10 0.37 0.03 0.02 0.00 0.00 177.57 178.07 2f71 h ARG 199 N 0.11 0.73 0.00 1.57 3.08 -0.84 -2.74 114.38 116.29 2f71 h ARG 199 Ca 0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2f71 h ARG 199 Cb 0.10 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2f71 h ARG 199 CO -0.01 0.48 -0.08 0.93 -1.07 0.00 0.00 179.97 180.22 2f71 h GLU 200 N 0.75 0.00 0.00 0.04 5.08 -0.63 -2.51 114.58 117.31 2f71 h GLU 200 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2f71 h GLU 200 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2f71 h GLU 200 CO -0.08 0.08 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 2f71 h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.17 -3.46 113.55 114.98 2f71 h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2f71 h SER 201 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2f71 h SER 201 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2f71 n GLY 202 N 0.04 0.95 0.28 -0.77 0.00 -0.95 -4.94 105.19 99.80 2f71 n GLY 202 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 2f71 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2f71 h SER 203 N 0.00 0.00 -0.39 1.61 0.02 -1.79 -1.28 113.55 111.73 2f71 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2f71 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2f71 h SER 203 CO 0.00 0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 2f71 n LEU 204 N -3.56 2.53 -4.77 5.07 4.77 -1.26 -4.46 117.00 115.33 2f71 n LEU 204 Ca -0.02 -1.18 -0.40 0.00 -0.03 0.00 0.00 56.01 54.38 2f71 n LEU 204 Cb 0.18 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2f71 n LEU 204 CO 0.28 0.59 1.05 -0.55 -1.33 0.00 0.00 177.39 177.43 2f71 s SER 205 N -1.25 6.17 0.16 -1.43 0.15 -0.48 -4.88 113.70 112.14 2f71 s SER 205 Ca 0.34 2.87 0.15 0.00 0.70 0.00 0.00 55.95 60.01 2f71 s SER 205 Cb 0.18 -2.65 0.72 0.00 -1.71 0.00 0.00 66.02 62.56 2f71 s SER 205 CO 0.25 -0.97 1.47 -0.81 1.20 0.00 0.00 173.24 174.39 2f71 n PRO 206 N 0.13 0.09 0.16 5.44 -0.04 -1.26 -1.78 135.00 137.74 2f71 n PRO 206 Ca 0.03 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2f71 n PRO 206 Cb 0.42 -1.73 0.51 0.00 -0.04 0.00 0.00 33.50 32.65 2f71 n PRO 206 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2f71 h GLU 207 N 0.00 0.00 -6.22 0.54 5.08 -1.94 -3.44 114.58 108.60 2f71 h GLU 207 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2f71 h GLU 207 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2f71 h GLU 207 CO 0.00 0.00 -0.42 -1.01 -1.00 0.00 0.00 179.01 176.58 2f71 s HIS 208 N -3.36 2.91 1.16 4.33 3.76 -0.73 -5.13 115.29 118.23 2f71 s HIS 208 Ca 0.05 -0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 54.50 2f71 s HIS 208 Cb 0.09 -1.88 0.27 0.00 1.11 0.00 0.00 32.58 32.17 2f71 s HIS 208 CO 0.47 0.10 1.04 0.20 -0.85 0.00 0.00 174.74 175.70 2f71 s GLY 209 N -4.05 1.53 0.34 -2.22 0.00 -0.16 -4.91 107.32 97.86 2f71 s GLY 209 Ca 0.43 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 2f71 s GLY 209 CO 0.28 0.38 1.38 -4.14 0.00 0.00 0.00 173.10 170.99 2f71 s PRO 210 N -4.74 4.27 0.45 2.90 0.02 -1.26 -4.44 135.00 132.20 2f71 s PRO 210 Ca 0.68 2.35 -0.25 0.00 0.02 0.00 0.00 61.00 63.79 2f71 s PRO 210 Cb -0.21 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.19 2f71 s PRO 210 CO 0.61 -0.32 1.41 0.28 -0.33 0.00 0.00 177.00 178.66 2f71 n VAL 211 N 0.75 2.82 -3.38 3.83 0.31 -1.26 -4.43 118.33 116.98 2f71 n VAL 211 Ca 0.01 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.46 2f71 n VAL 211 Cb 0.41 -1.80 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 2f71 n VAL 211 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2f71 s VAL 212 N -1.20 5.20 -0.08 2.52 1.01 -0.75 -0.62 120.40 126.49 2f71 s VAL 212 Ca 0.62 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.38 2f71 s VAL 212 Cb -0.45 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2f71 s VAL 212 CO 0.57 0.27 -0.22 -0.69 0.00 0.00 0.00 175.10 175.03 2f71 s VAL 213 N 1.16 1.84 0.08 2.92 1.01 0.38 0.24 120.40 128.03 2f71 s VAL 213 Ca 0.20 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2f71 s VAL 213 Cb -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2f71 s VAL 213 CO 0.08 0.51 0.20 -1.38 0.00 0.00 0.00 175.10 174.52 2f71 s HIS 214 N 0.25 0.11 0.00 5.22 -3.43 0.23 -2.16 115.29 115.50 2f71 s HIS 214 Ca -0.13 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2f71 s HIS 214 Cb -0.16 -0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 2f71 s HIS 214 CO 0.06 -0.52 0.00 0.00 -2.00 0.00 0.00 174.74 172.28 2f71 h SER 216 N 0.00 0.00 0.96 0.00 0.02 -1.89 -2.27 113.55 110.37 2f71 h SER 216 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2f71 h SER 216 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2f71 h SER 216 CO 0.00 0.68 -0.68 0.00 -1.14 0.00 0.00 176.83 175.69 2f71 h ALA 217 N -0.92 0.59 -0.42 3.77 0.00 -1.88 0.92 119.26 121.32 2f71 h ALA 217 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2f71 h ALA 217 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2f71 h ALA 217 CO -0.01 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.56 2f71 n GLY 218 N 1.29 0.35 0.00 0.00 0.00 -1.24 -4.07 105.19 101.51 2f71 n GLY 218 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2f71 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2f71 n ILE 219 N -3.67 0.00 -0.01 -0.61 -5.35 -1.26 -4.44 119.36 104.01 2f71 n ILE 219 Ca -0.04 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2f71 n ILE 219 Cb 0.41 -0.16 -0.00 0.00 -1.74 0.00 0.00 39.64 38.15 2f71 n ILE 219 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2f71 h GLY 220 N 0.00 0.00 0.86 3.28 0.00 -1.91 -0.74 103.07 104.55 2f71 h GLY 220 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2f71 h GLY 220 CO 0.00 0.00 -0.05 3.21 0.00 0.00 0.00 176.54 179.70 2f71 h ARG 221 N -0.20 0.49 -0.75 4.80 3.08 -1.95 -2.36 114.38 117.49 2f71 h ARG 221 Ca 0.00 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 59.93 2f71 h ARG 221 Cb 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 2f71 h ARG 221 CO 0.00 0.70 0.44 0.77 -1.07 0.00 0.00 179.97 180.81 2f71 h SER 222 N 0.25 0.66 -0.60 7.04 0.02 -1.88 -1.79 113.55 117.26 2f71 h SER 222 Ca 0.07 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2f71 h SER 222 Cb 0.52 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2f71 h SER 222 CO 0.02 0.42 0.11 1.23 -1.14 0.00 0.00 176.83 177.48 2f71 h GLY 223 N 0.80 1.09 0.93 -3.77 0.00 -1.30 -1.96 103.07 98.85 2f71 h GLY 223 Ca 0.33 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2f71 h GLY 223 CO -0.18 0.64 0.09 -0.84 0.00 0.00 0.00 176.54 176.25 2f71 h THR 224 N 0.95 1.11 -0.02 4.70 2.02 -0.94 -0.70 112.91 120.03 2f71 h THR 224 Ca 0.19 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2f71 h THR 224 Cb 0.39 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2f71 h THR 224 CO 0.01 0.11 -0.19 0.15 0.37 0.00 0.00 175.52 175.97 2f71 h PHE 225 N 0.17 -0.49 -0.51 3.16 3.57 -1.24 -2.40 116.94 119.19 2f71 h PHE 225 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2f71 h PHE 225 Cb 0.09 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2f71 h PHE 225 CO -0.03 -0.27 0.31 0.00 -2.23 0.00 0.00 178.31 176.09 2f71 h LEU 227 N 0.69 0.27 -0.43 0.00 5.85 -1.00 -0.43 115.31 120.25 2f71 h LEU 227 Ca 0.18 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2f71 h LEU 227 Cb -0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2f71 h LEU 227 CO -0.03 0.33 0.27 0.00 -0.34 0.00 0.00 178.44 178.66 2f71 h ALA 228 N 0.96 0.55 -0.30 1.25 0.00 -1.30 -1.03 119.26 119.38 2f71 h ALA 228 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2f71 h ALA 228 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2f71 h ALA 228 CO -0.01 0.04 0.15 0.22 0.00 0.00 0.00 179.25 179.65 2f71 h ASP 229 N 0.57 0.38 -0.49 0.00 3.58 -1.12 -1.48 116.42 117.87 2f71 h ASP 229 Ca 0.16 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2f71 h ASP 229 Cb -0.01 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2f71 h ASP 229 CO -0.03 0.38 0.14 0.74 -2.88 0.00 0.00 179.24 177.59 2f71 h THR 230 N 0.36 1.23 -0.85 2.25 2.02 -0.93 -0.68 112.91 116.31 2f71 h THR 230 Ca 0.10 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 2f71 h THR 230 Cb 0.09 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2f71 h THR 230 CO -0.02 0.29 0.40 0.00 0.37 0.00 0.00 175.52 176.56 2f71 h LEU 232 N 1.21 0.97 -0.37 0.00 3.38 -1.09 -2.00 115.31 117.41 2f71 h LEU 232 Ca 0.29 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2f71 h LEU 232 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2f71 h LEU 232 CO -0.04 1.07 0.24 0.25 0.09 0.00 0.00 178.44 180.05 2f71 h LEU 233 N 0.85 0.44 -0.22 1.67 5.85 -0.76 -1.09 115.31 122.05 2f71 h LEU 233 Ca 0.15 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2f71 h LEU 233 Cb 0.60 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2f71 h LEU 233 CO 0.04 0.34 0.07 -0.07 -0.34 0.00 0.00 178.44 178.48 2f71 h LEU 234 N 0.50 0.06 -1.10 2.25 3.38 -0.97 -0.02 115.31 119.41 2f71 h LEU 234 Ca 0.13 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2f71 h LEU 234 Cb -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2f71 h LEU 234 CO -0.03 0.07 -0.44 0.00 0.09 0.00 0.00 178.44 178.13 2f71 h MET 235 N 0.16 0.00 -0.36 1.13 -0.00 -1.24 -2.87 114.93 111.75 2f71 h MET 235 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.70 2f71 h MET 235 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 2f71 h MET 235 CO -0.11 0.44 -0.15 0.22 -0.00 0.00 0.00 176.91 177.31 2f71 h ASP 236 N 0.00 0.76 -0.65 -0.10 3.58 -0.46 0.51 116.42 120.05 2f71 h ASP 236 Ca -0.00 -0.40 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 2f71 h ASP 236 Cb 0.80 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2f71 h ASP 236 CO 0.06 0.98 0.38 0.50 -2.88 0.00 0.00 179.24 178.28 2f71 h LYS 237 N 0.53 0.91 0.00 0.28 1.63 -0.82 -2.85 116.57 116.25 2f71 h LYS 237 Ca 0.08 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2f71 h LYS 237 Cb 0.69 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2f71 h LYS 237 CO 0.05 0.65 -1.08 0.54 -3.45 0.00 0.00 179.45 176.17 2f71 n ARG 238 N -4.39 0.24 -4.10 1.90 1.74 -1.11 -4.97 116.66 105.97 2f71 n ARG 238 Ca 0.07 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 2f71 n ARG 238 Cb 0.08 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 2f71 n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2f71 n LYS 239 N -1.86 -2.17 -3.26 5.56 4.76 0.17 -4.96 118.16 116.40 2f71 n LYS 239 Ca 0.02 0.26 -0.15 0.00 -2.87 0.00 0.00 58.31 55.58 2f71 n LYS 239 Cb 0.42 -4.06 -0.06 0.00 -1.84 0.00 0.00 35.03 29.49 2f71 n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2f71 s ASP 240 N -4.34 0.52 0.42 4.39 -1.08 -0.88 -5.01 116.67 110.70 2f71 s ASP 240 Ca 0.02 -1.76 0.14 0.00 -0.52 0.00 0.00 52.55 50.43 2f71 s ASP 240 Cb -0.01 0.76 1.01 0.00 -1.46 0.00 0.00 42.92 43.22 2f71 s ASP 240 CO 0.94 -0.20 1.96 -0.65 0.52 0.00 0.00 175.17 177.73 2f71 h PRO 241 N 6.52 0.43 0.00 4.34 0.11 -1.93 -2.20 132.00 139.27 2f71 h PRO 241 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2f71 h PRO 241 Cb 1.05 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2f71 h PRO 241 CO 0.18 0.29 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 2f71 n SER 242 N -4.47 0.53 0.03 -2.05 3.41 -1.26 -2.37 113.62 107.44 2f71 n SER 242 Ca 0.11 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 2f71 n SER 242 Cb 0.40 -0.76 0.54 0.00 -0.26 0.00 0.00 64.21 64.14 2f71 n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2f71 n SER 243 N -2.11 0.26 -4.68 4.04 3.41 -0.83 -4.81 113.62 108.90 2f71 n SER 243 Ca 0.02 0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 58.77 2f71 n SER 243 Cb 0.18 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 2f71 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2f71 s VAL 244 N -3.03 5.33 -0.45 -3.33 1.01 -1.00 -5.03 120.40 113.90 2f71 s VAL 244 Ca 0.13 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 2f71 s VAL 244 Cb 0.17 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 33.10 2f71 s VAL 244 CO 0.56 0.35 0.27 -0.62 0.00 0.00 0.00 175.10 175.66 2f71 s ASP 245 N 0.86 5.44 0.22 3.32 -1.08 -1.26 -4.62 116.67 119.54 2f71 s ASP 245 Ca 0.11 -2.03 -0.08 0.00 -0.52 0.00 0.00 52.55 50.03 2f71 s ASP 245 Cb -0.13 -1.90 0.18 0.00 -1.46 0.00 0.00 42.92 39.60 2f71 s ASP 245 CO 0.04 -0.59 1.84 0.40 0.52 0.00 0.00 175.17 177.37 2f71 h ILE 246 N 6.22 1.24 -0.57 4.11 2.04 -1.99 -1.41 117.51 127.15 2f71 h ILE 246 Ca -0.15 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 2f71 h ILE 246 Cb 1.05 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2f71 h ILE 246 CO 0.76 0.27 0.03 0.11 0.00 0.00 0.00 178.15 179.32 2f71 h LYS 247 N 1.15 0.97 -0.74 2.37 1.57 -1.99 -1.13 116.57 118.75 2f71 h LYS 247 Ca 0.29 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2f71 h LYS 247 Cb 0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2f71 h LYS 247 CO -0.05 0.93 0.37 -0.22 -0.57 0.00 0.00 179.45 179.91 2f71 h LYS 248 N 0.90 1.06 -0.51 3.15 3.64 -1.84 -1.29 116.57 121.68 2f71 h LYS 248 Ca 0.17 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2f71 h LYS 248 Cb 0.48 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2f71 h LYS 248 CO 0.02 0.83 0.22 0.28 -2.27 0.00 0.00 179.45 178.52 2f71 h VAL 249 N 1.04 1.21 -0.63 2.00 2.07 -0.85 -0.39 116.25 120.70 2f71 h VAL 249 Ca 0.26 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2f71 h VAL 249 Cb 0.10 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2f71 h VAL 249 CO -0.03 0.24 0.35 0.25 0.02 0.00 0.00 177.57 178.40 2f71 h LEU 250 N 0.68 0.77 -1.04 2.57 5.85 -0.98 -0.56 115.31 122.61 2f71 h LEU 250 Ca 0.17 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2f71 h LEU 250 Cb 0.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2f71 h LEU 250 CO -0.02 0.63 0.38 -0.07 -0.34 0.00 0.00 178.44 179.02 2f71 h LEU 251 N 0.85 0.95 -0.33 2.25 3.38 -1.04 -0.07 115.31 121.30 2f71 h LEU 251 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2f71 h LEU 251 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2f71 h LEU 251 CO -0.04 0.79 0.16 -0.08 0.09 0.00 0.00 178.44 179.36 2f71 h GLU 252 N 1.05 0.47 -0.96 1.13 4.57 -0.62 -2.70 114.58 117.52 2f71 h GLU 252 Ca 0.26 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 2f71 h GLU 252 Cb 0.08 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 2f71 h GLU 252 CO -0.04 0.43 0.61 0.52 -1.18 0.00 0.00 179.01 179.36 2f71 h MET 253 N 0.40 1.09 0.00 1.92 2.86 -0.56 -1.38 114.93 119.26 2f71 h MET 253 Ca 0.11 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2f71 h MET 253 Cb 0.11 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2f71 h MET 253 CO -0.01 0.72 0.00 0.54 1.06 0.00 0.00 176.91 179.22 2f71 n ARG 254 N -4.53 0.07 0.26 1.72 1.74 -0.09 -0.99 116.66 114.84 2f71 n ARG 254 Ca 0.14 0.24 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 2f71 n ARG 254 Cb 0.17 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 30.80 2f71 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2f71 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -0.96 -3.33 116.57 119.41 2f71 h LYS 255 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2f71 h LYS 255 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2f71 h LYS 255 CO 0.00 0.12 -2.09 1.19 -0.57 0.00 0.00 179.45 178.09 2f71 n PHE 256 N -3.41 0.00 -3.69 -1.35 3.72 -0.16 -4.97 117.46 107.61 2f71 n PHE 256 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2f71 n PHE 256 Cb 0.29 -0.72 -0.09 0.00 -0.94 0.00 0.00 39.48 38.02 2f71 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2f71 s ARG 257 N -2.73 0.61 0.55 -1.08 3.52 -1.17 -4.57 118.95 114.09 2f71 s ARG 257 Ca -0.08 0.78 -0.20 0.00 -0.13 0.00 0.00 55.73 56.10 2f71 s ARG 257 Cb 0.08 0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.68 2f71 s ARG 257 CO 0.75 -0.09 1.15 0.00 -0.81 0.00 0.00 175.30 176.30 2f71 s MET 258 N 0.45 3.31 -0.50 5.12 0.23 -1.26 -4.23 119.30 122.42 2f71 s MET 258 Ca -0.01 1.68 0.00 0.00 -1.03 0.00 0.00 55.69 56.33 2f71 s MET 258 Cb -0.04 -2.03 0.00 0.00 -1.53 0.00 0.00 34.83 31.23 2f71 s MET 258 CO -0.01 -0.90 0.00 0.41 -2.03 0.00 0.00 175.02 172.48 2f71 n GLY 259 N 0.27 0.70 3.69 3.16 0.00 -1.26 -4.86 105.19 106.89 2f71 n GLY 259 Ca 0.12 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2f71 n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f71 s LEU 260 N -1.07 4.38 0.03 0.99 1.43 -1.26 -4.09 118.68 119.08 2f71 s LEU 260 Ca 0.00 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2f71 s LEU 260 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2f71 s LEU 260 CO 0.00 -0.93 0.00 -0.38 0.23 0.00 0.00 176.35 175.27 2f71 n ILE 261 N 4.81 -5.22 0.73 -0.59 5.41 -0.34 -4.95 119.36 119.21 2f71 n ILE 261 Ca 0.17 0.92 0.08 0.00 1.00 0.00 0.00 62.75 64.91 2f71 n ILE 261 Cb 0.40 -3.44 -0.05 0.00 -0.71 0.00 0.00 39.64 35.83 2f71 n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f71 n GLN 262 N 0.52 1.79 -4.03 0.38 1.13 -1.26 -4.91 117.38 111.00 2f71 n GLN 262 Ca 0.00 -0.31 -0.08 0.00 -1.94 0.00 0.00 57.00 54.67 2f71 n GLN 262 Cb 0.00 -1.25 -0.10 0.00 0.11 0.00 0.00 30.24 29.00 2f71 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2f71 s THR 263 N -2.26 0.18 0.35 5.09 -4.23 -1.26 -5.04 115.64 108.47 2f71 s THR 263 Ca 0.09 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2f71 s THR 263 Cb 0.12 -1.09 0.26 0.00 1.34 0.00 0.00 72.50 73.13 2f71 s THR 263 CO 0.55 -0.80 2.01 0.00 -0.54 0.00 0.00 174.62 175.84 2f71 h ALA 264 N 3.60 1.55 -0.01 3.99 0.00 -1.94 -2.24 119.26 124.22 2f71 h ALA 264 Ca -0.33 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2f71 h ALA 264 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2f71 h ALA 264 CO 0.57 0.41 -0.61 0.22 0.00 0.00 0.00 179.25 179.84 2f71 h ASP 265 N 0.83 0.04 -0.53 0.00 3.58 -1.96 -0.27 116.42 118.10 2f71 h ASP 265 Ca 0.22 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.59 2f71 h ASP 265 Cb -0.09 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2f71 h ASP 265 CO -0.05 0.64 0.11 1.56 -2.88 0.00 0.00 179.24 178.62 2f71 h GLN 266 N 0.02 0.91 -0.12 0.28 4.20 -1.74 0.89 115.11 119.54 2f71 h GLN 266 Ca -0.01 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2f71 h GLN 266 Cb 1.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2f71 h GLN 266 CO 0.08 0.83 0.03 1.25 -0.67 0.00 0.00 178.83 180.35 2f71 h LEU 267 N 0.87 0.19 -0.64 1.46 5.85 -0.95 -1.15 115.31 120.93 2f71 h LEU 267 Ca 0.18 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2f71 h LEU 267 Cb 0.35 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2f71 h LEU 267 CO 0.00 0.36 0.31 -0.09 -0.34 0.00 0.00 178.44 178.68 2f71 h ARG 268 N 0.00 0.54 -0.88 1.25 2.43 -0.88 -1.79 114.38 115.05 2f71 h ARG 268 Ca 0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2f71 h ARG 268 Cb 0.24 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2f71 h ARG 268 CO -0.00 0.36 0.54 0.35 -1.51 0.00 0.00 179.97 179.71 2f71 h PHE 269 N 0.56 1.16 -0.84 2.20 3.57 -0.67 -1.77 116.94 121.15 2f71 h PHE 269 Ca 0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2f71 h PHE 269 Cb 0.28 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 2f71 h PHE 269 CO -0.11 0.77 0.49 0.66 -2.23 0.00 0.00 178.31 177.89 2f71 h SER 270 N 1.21 1.02 -0.48 0.41 4.64 -0.37 0.13 113.55 120.11 2f71 h SER 270 Ca 0.32 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2f71 h SER 270 Cb -0.06 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.74 2f71 h SER 270 CO -0.06 0.79 0.30 1.88 -0.87 0.00 0.00 176.83 178.87 2f71 h TYR 271 N 1.15 0.56 -0.72 4.77 -1.99 -0.90 -1.29 116.97 118.55 2f71 h TYR 271 Ca 0.30 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2f71 h TYR 271 Cb -0.03 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.49 2f71 h TYR 271 CO -0.00 0.33 0.46 -0.07 -0.00 0.00 0.00 178.16 178.87 2f71 h LEU 272 N 0.59 0.85 -0.55 3.88 3.38 -0.46 0.10 115.31 123.09 2f71 h LEU 272 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2f71 h LEU 272 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2f71 h LEU 272 CO -0.08 0.64 0.22 0.00 0.09 0.00 0.00 178.44 179.31 2f71 h ALA 273 N 1.24 0.72 -0.28 1.53 0.00 -0.59 -1.26 119.26 120.63 2f71 h ALA 273 Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2f71 h ALA 273 Cb -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2f71 h ALA 273 CO -0.05 0.34 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 2f71 h VAL 274 N 0.76 1.30 -0.64 0.00 2.07 -0.92 0.75 116.25 119.56 2f71 h VAL 274 Ca 0.18 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 2f71 h VAL 274 Cb 0.21 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2f71 h VAL 274 CO -0.01 0.40 0.29 0.40 0.02 0.00 0.00 177.57 178.67 2f71 h ILE 275 N 0.35 1.23 -0.15 4.57 2.04 -0.90 0.01 117.51 124.65 2f71 h ILE 275 Ca 0.06 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2f71 h ILE 275 Cb 0.68 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2f71 h ILE 275 CO 0.04 0.27 0.01 -0.08 0.00 0.00 0.00 178.15 178.39 2f71 h GLU 276 N 0.89 0.25 -0.01 2.37 4.57 -1.19 -3.12 114.58 118.33 2f71 h GLU 276 Ca 0.22 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2f71 h GLU 276 Cb 0.15 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2f71 h GLU 276 CO -0.02 0.47 -0.13 0.78 -1.18 0.00 0.00 179.01 178.92 2f71 h GLY 277 N 0.00 0.02 0.81 1.92 0.00 -0.59 -1.95 103.07 103.28 2f71 h GLY 277 Ca 0.04 -0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.52 2f71 h GLY 277 CO 0.01 0.01 0.44 0.00 0.00 0.00 0.00 176.54 176.99 2f71 h ALA 278 N 1.85 2.41 -0.76 3.60 0.00 -0.93 -1.39 119.26 124.04 2f71 h ALA 278 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2f71 h ALA 278 Cb 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2f71 h ALA 278 CO 0.02 -0.59 0.49 0.87 0.00 0.00 0.00 179.25 180.04 2f71 h LYS 279 N 0.12 0.93 0.00 0.00 1.57 -1.45 -0.90 116.57 116.85 2f71 h LYS 279 Ca 0.30 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2f71 h LYS 279 Cb 1.01 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2f71 h LYS 279 CO -0.04 0.61 -0.00 0.35 -0.57 0.00 0.00 179.45 179.80 2f71 h PHE 280 N 0.96 -0.01 -0.88 -1.35 3.04 -1.42 -1.54 116.94 115.75 2f71 h PHE 280 Ca 0.30 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.41 2f71 h PHE 280 Cb -0.00 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.41 2f71 h PHE 280 CO -0.03 0.38 0.46 0.82 -2.02 0.00 0.00 178.31 177.92 2f71 h ILE 281 N -0.40 0.70 -0.34 1.41 1.08 -1.15 -0.83 117.51 117.99 2f71 h ILE 281 Ca -0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2f71 h ILE 281 Cb 0.39 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2f71 h ILE 281 CO 0.00 0.11 0.00 0.23 -0.69 0.00 0.00 178.15 177.81 2f71 n MET 282 N -4.87 1.99 0.00 2.37 2.81 -0.37 -4.89 117.12 114.16 2f71 n MET 282 Ca 0.18 -1.30 0.00 0.00 -1.81 0.00 0.00 57.70 54.77 2f71 n MET 282 Cb 0.47 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 2f71 n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f71 n GLY 283 N 0.93 1.00 3.30 3.03 0.00 -0.32 -5.02 105.19 108.12 2f71 n GLY 283 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2f71 n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f71 n ASP 284 N 0.00 4.91 -0.32 1.61 -0.08 -0.59 -4.82 116.55 117.26 2f71 n ASP 284 Ca 0.00 -2.96 0.21 0.00 -1.51 0.00 0.00 54.79 50.53 2f71 n ASP 284 Cb 0.00 -1.63 0.48 0.00 2.34 0.00 0.00 41.12 42.31 2f71 n ASP 284 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2f71 h SER 285 N 6.90 0.50 0.08 1.67 0.02 -1.83 -2.54 113.55 118.34 2f71 h SER 285 Ca 0.41 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2f71 h SER 285 Cb 0.80 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 2f71 h SER 285 CO 1.47 0.11 -0.01 0.77 -1.14 0.00 0.00 176.83 178.04 2f71 h SER 286 N 0.45 0.00 0.27 3.07 4.64 -1.96 -2.56 113.55 117.45 2f71 h SER 286 Ca 0.59 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.86 2f71 h SER 286 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 2f71 h SER 286 CO -0.31 0.01 -0.24 -0.37 -0.87 0.00 0.00 176.83 175.05 2f71 h VAL 287 N 0.00 1.11 -0.64 0.95 -1.51 -1.84 -2.89 116.25 111.44 2f71 h VAL 287 Ca -0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2f71 h VAL 287 Cb 0.05 1.45 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 2f71 h VAL 287 CO 0.00 0.23 0.41 -0.61 -1.23 0.00 0.00 177.57 176.37 2f71 h GLN 288 N 0.00 0.86 -0.03 5.19 4.15 -1.69 0.13 115.11 123.73 2f71 h GLN 288 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 2f71 h GLN 288 Cb 0.43 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2f71 h GLN 288 CO 0.03 0.59 -0.54 0.22 -1.93 0.00 0.00 178.83 177.20 2f71 h ASP 289 N 0.87 0.08 -0.56 -0.69 1.82 -1.72 -2.15 116.42 114.06 2f71 h ASP 289 Ca 0.23 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.78 2f71 h ASP 289 Cb -0.07 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 2f71 h ASP 289 CO -0.05 0.61 0.16 1.56 -1.61 0.00 0.00 179.24 179.91 2f71 h GLN 290 N 0.06 0.89 -0.86 0.28 4.20 -1.15 -1.70 115.11 116.82 2f71 h GLN 290 Ca -0.00 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.54 2f71 h GLN 290 Cb 0.98 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.58 2f71 h GLN 290 CO 0.07 0.81 0.56 -1.49 -0.67 0.00 0.00 178.83 178.11 2f71 h TRP 291 N 0.80 1.05 -0.48 2.96 6.55 -0.78 -0.17 115.95 125.88 2f71 h TRP 291 Ca 0.18 0.03 0.01 0.00 0.95 0.00 0.00 58.89 60.05 2f71 h TRP 291 Cb 0.30 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.23 2f71 h TRP 291 CO 0.02 0.61 0.31 -0.22 -1.05 0.00 0.00 178.44 178.11 2f71 h LYS 292 N 1.09 0.61 -0.05 0.49 3.64 -0.95 -0.73 116.57 120.68 2f71 h LYS 292 Ca 0.34 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2f71 h LYS 292 Cb -0.01 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2f71 h LYS 292 CO -0.11 0.41 0.02 0.93 -2.27 0.00 0.00 179.45 178.43 2f71 h GLU 293 N 0.63 0.07 0.00 1.90 4.39 -1.01 -3.00 114.58 117.56 2f71 h GLU 293 Ca 0.18 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2f71 h GLU 293 Cb -0.06 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2f71 h GLU 293 CO -0.05 0.16 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.85 2f71 h LEU 294 N -0.04 0.00 0.00 1.33 3.38 -0.81 -2.66 115.31 116.52 2f71 h LEU 294 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2f71 h LEU 294 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2f71 h LEU 294 CO -0.00 0.05 -0.19 -1.54 0.09 0.00 0.00 178.44 176.85 2f71 n SER 295 N -3.27 0.63 -3.91 -0.43 3.41 -0.30 -4.81 113.62 104.94 2f71 n SER 295 Ca -0.01 0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 58.71 2f71 n SER 295 Cb 0.24 -0.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.77 2f71 n SER 295 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2f71 n HIS 296 N -2.05 -2.11 0.26 7.33 8.25 -1.00 -4.87 115.22 121.03 2f71 n HIS 296 Ca 0.05 0.87 0.12 0.00 -0.26 0.00 0.00 57.72 58.50 2f71 n HIS 296 Cb 0.41 -3.93 0.70 0.00 1.12 0.00 0.00 29.99 28.29 2f71 n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2f71 h GLU 297 N -1.96 0.00 0.00 -0.41 4.11 -1.85 -3.43 114.58 111.04 2f71 h GLU 297 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2f71 h GLU 297 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2f71 h GLU 297 CO 0.66 0.13 0.00 -0.25 0.07 0.00 0.00 179.01 179.62