#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f93 s VAL 6 N 0.00 5.34 -0.47 1.69 1.01 -1.26 -5.08 120.40 121.63 3f93 s VAL 6 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3f93 s VAL 6 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 33.05 3f93 s VAL 6 CO 0.00 0.54 0.58 0.21 0.00 0.00 0.00 175.10 176.43 3f93 s ASN 7 N -0.38 6.24 0.02 3.32 3.04 -1.26 -5.06 114.94 120.86 3f93 s ASN 7 Ca 0.11 -0.75 -0.19 0.00 0.04 0.00 0.00 52.86 52.07 3f93 s ASN 7 Cb -0.12 -2.28 -0.06 0.00 -1.54 0.00 0.00 41.25 37.26 3f93 s ASN 7 CO 0.01 -0.79 0.56 0.26 -3.04 0.00 0.00 177.10 174.10 3f93 s TRP 8 N 2.54 3.73 0.38 0.43 0.52 -1.26 -5.05 118.94 120.23 3f93 s TRP 8 Ca 0.16 1.19 -0.25 0.00 0.02 0.00 0.00 56.10 57.22 3f93 s TRP 8 Cb -0.18 -2.52 -0.09 0.00 -1.15 0.00 0.00 33.47 29.53 3f93 s TRP 8 CO 0.14 0.47 1.09 -1.25 0.02 0.00 0.00 176.95 177.42 3f93 s PRO 9 N -0.63 4.21 -0.42 4.98 0.04 -1.26 -4.60 135.00 137.31 3f93 s PRO 9 Ca 0.29 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 3f93 s PRO 9 Cb -0.18 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.69 3f93 s PRO 9 CO 0.17 -0.14 1.21 -0.47 0.04 0.00 0.00 177.00 177.81 3f93 s TYR 10 N -1.50 2.75 -0.09 0.56 5.04 -1.20 -3.99 117.35 118.92 3f93 s TYR 10 Ca 0.55 0.79 0.18 0.00 -2.44 0.00 0.00 57.07 56.16 3f93 s TYR 10 Cb -0.26 -4.25 -0.28 0.00 0.35 0.00 0.00 41.96 37.52 3f93 s TYR 10 CO 0.33 -1.41 0.43 1.33 -1.34 0.00 0.00 175.55 174.89 3f93 n VAL 11 N 6.70 0.00 -0.98 3.14 0.24 -0.25 -4.70 118.33 122.48 3f93 n VAL 11 Ca 0.13 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.34 61.76 3f93 n VAL 11 Cb 0.48 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 3f93 n VAL 11 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3f93 n ASN 12 N -2.07 6.48 0.05 -1.34 5.15 -0.99 -3.78 115.26 118.75 3f93 n ASN 12 Ca -0.03 -2.42 0.11 0.00 -0.60 0.00 0.00 54.58 51.65 3f93 n ASN 12 Cb 0.46 -1.29 -0.05 0.00 -0.53 0.00 0.00 39.78 38.37 3f93 n ASN 12 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3f93 n THR 13 N 3.81 0.33 -0.08 -0.44 -2.24 -1.26 -4.59 114.28 109.81 3f93 n THR 13 Ca 0.58 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.79 3f93 n THR 13 Cb 0.22 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 3f93 n THR 13 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3f93 n LYS 14 N -2.40 0.48 -2.56 -0.78 3.00 -1.26 -4.92 118.16 109.72 3f93 n LYS 14 Ca -0.01 0.52 -0.43 0.00 -0.00 0.00 0.00 58.31 58.39 3f93 n LYS 14 Cb 0.53 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.85 3f93 n LYS 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3f93 s LEU 15 N -8.11 4.19 0.07 3.14 2.96 -1.26 -5.02 118.68 114.65 3f93 s LEU 15 Ca -0.19 1.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.33 3f93 s LEU 15 Cb 0.03 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 3f93 s LEU 15 CO 0.32 -0.63 0.16 -0.54 -1.32 0.00 0.00 176.35 174.34 3f93 s LYS 16 N 2.79 3.21 0.41 1.98 -0.14 -1.26 -5.07 119.74 121.66 3f93 s LYS 16 Ca 0.50 -0.55 -0.26 0.00 -1.36 0.00 0.00 55.97 54.31 3f93 s LYS 16 Cb -0.20 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 32.96 3f93 s LYS 16 CO 0.15 0.59 1.33 1.03 -0.76 0.00 0.00 175.35 177.68 3f93 s ARG 17 N -2.49 3.94 -0.23 1.68 0.52 -1.26 -4.98 118.95 116.13 3f93 s ARG 17 Ca 0.33 2.21 -0.27 0.00 -0.52 0.00 0.00 55.73 57.48 3f93 s ARG 17 Cb -0.13 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.59 3f93 s ARG 17 CO 0.26 -0.54 0.93 0.34 0.02 0.00 0.00 175.30 176.31 3f93 s ASP 18 N -0.68 6.98 0.19 0.23 -1.08 -1.26 -4.94 116.67 116.11 3f93 s ASP 18 Ca 0.57 1.22 -0.11 0.00 -0.52 0.00 0.00 52.55 53.71 3f93 s ASP 18 Cb -0.39 -2.49 0.11 0.00 -1.46 0.00 0.00 42.92 38.68 3f93 s ASP 18 CO 0.50 -0.58 1.79 1.55 0.52 0.00 0.00 175.17 178.96 3f93 h PRO 19 N 7.53 0.91 0.00 4.34 0.13 -2.00 -0.84 132.00 142.08 3f93 h PRO 19 Ca -0.22 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 3f93 h PRO 19 Cb 1.08 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3f93 h PRO 19 CO 0.92 0.70 -0.05 0.00 -0.23 0.00 0.00 178.00 179.34 3f93 h ALA 20 N 1.17 1.06 0.03 -0.56 0.00 -2.00 -1.92 119.26 117.02 3f93 h ALA 20 Ca 0.23 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 3f93 h ALA 20 Cb 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.86 3f93 h ALA 20 CO -0.03 0.06 -0.94 0.28 0.00 0.00 0.00 179.25 178.61 3f93 h VAL 21 N 0.00 1.33 -0.70 0.00 2.07 -1.69 -3.22 116.25 114.04 3f93 h VAL 21 Ca -0.00 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 3f93 h VAL 21 Cb 0.39 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 3f93 h VAL 21 CO 0.01 0.68 0.42 -0.33 0.02 0.00 0.00 177.57 178.36 3f93 h GLU 22 N 0.20 0.95 -0.44 1.57 4.39 -0.84 -1.80 114.58 118.62 3f93 h GLU 22 Ca -0.13 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.56 3f93 h GLU 22 Cb 1.62 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 30.01 3f93 h GLU 22 CO 0.18 0.68 0.03 0.00 -1.16 0.00 0.00 179.01 178.74 3f93 h ALA 23 N 1.22 0.43 -0.02 3.43 0.00 -1.48 -0.92 119.26 121.92 3f93 h ALA 23 Ca 0.25 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3f93 h ALA 23 Cb -0.02 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3f93 h ALA 23 CO -0.05 -0.37 0.01 1.96 0.00 0.00 0.00 179.25 180.80 3f93 h GLN 24 N 0.14 0.03 -0.51 0.00 4.20 -1.49 0.44 115.11 117.92 3f93 h GLN 24 Ca 0.22 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.98 3f93 h GLN 24 Cb 0.31 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 3f93 h GLN 24 CO -0.34 0.17 -0.53 0.82 -0.67 0.00 0.00 178.83 178.28 3f93 h ILE 25 N -0.11 0.00 -0.61 2.54 2.04 -1.25 0.11 117.51 120.23 3f93 h ILE 25 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3f93 h ILE 25 Cb 0.15 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3f93 h ILE 25 CO -0.00 0.00 0.40 -0.33 0.00 0.00 0.00 178.15 178.22 3f93 h GLU 26 N -0.29 0.67 -0.27 2.37 4.39 -0.84 0.11 114.58 120.71 3f93 h GLU 26 Ca 0.09 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 3f93 h GLU 26 Cb 0.52 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3f93 h GLU 26 CO -0.64 0.44 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.13 3f93 h LYS 27 N 0.69 0.69 0.68 2.33 3.64 0.53 -1.96 116.57 123.16 3f93 h LYS 27 Ca 0.25 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3f93 h LYS 27 Cb 0.14 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3f93 h LYS 27 CO -0.07 0.99 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.70 3f93 h LEU 28 N 0.42 -0.78 -1.58 5.20 -0.00 -0.23 -3.24 115.31 115.10 3f93 h LEU 28 Ca 0.04 -0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.03 3f93 h LEU 28 Cb 0.89 0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 41.70 3f93 h LEU 28 CO 0.07 -0.47 0.45 0.25 -0.00 0.00 0.00 178.44 178.74 3f93 h LEU 29 N -1.05 0.42 -1.18 1.67 5.85 -0.85 -0.31 115.31 119.85 3f93 h LEU 29 Ca -0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3f93 h LEU 29 Cb 0.73 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3f93 h LEU 29 CO 0.15 0.24 0.22 0.00 -0.34 0.00 0.00 178.44 178.72 3f93 h ALA 30 N 1.67 1.36 0.00 1.25 0.00 -1.38 -2.81 119.26 119.34 3f93 h ALA 30 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3f93 h ALA 30 Cb 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3f93 h ALA 30 CO -0.10 0.49 -0.54 0.36 0.00 0.00 0.00 179.25 179.46 3f93 n LYS 31 N -4.34 0.04 -2.60 0.00 2.85 -0.17 -4.97 118.16 108.98 3f93 n LYS 31 Ca 0.05 0.01 -0.38 0.00 -1.05 0.00 0.00 58.31 56.93 3f93 n LYS 31 Cb 0.16 -1.52 -0.05 0.00 -0.65 0.00 0.00 35.03 32.97 3f93 n LYS 31 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 3f93 s MET 32 N -3.03 4.47 0.57 -1.58 -1.94 -0.97 -5.06 119.30 111.77 3f93 s MET 32 Ca 0.10 1.55 -0.09 0.00 -1.71 0.00 0.00 55.69 55.55 3f93 s MET 32 Cb 0.17 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 3f93 s MET 32 CO 0.71 0.13 0.94 0.95 -0.01 0.00 0.00 175.02 177.73 3f93 s THR 33 N -1.45 4.64 0.39 2.05 -4.23 -1.26 -4.90 115.64 110.88 3f93 s THR 33 Ca 0.50 0.56 0.14 0.00 -1.18 0.00 0.00 61.69 61.72 3f93 s THR 33 Cb -0.25 -3.82 0.36 0.00 1.34 0.00 0.00 72.50 70.13 3f93 s THR 33 CO 0.31 -0.97 1.84 0.40 -0.54 0.00 0.00 174.62 175.66 3f93 h ILE 34 N -0.14 0.70 -0.38 2.99 2.04 -1.99 -0.36 117.51 120.38 3f93 h ILE 34 Ca -0.45 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 3f93 h ILE 34 Cb 1.20 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3f93 h ILE 34 CO 0.62 0.09 0.05 -0.33 0.00 0.00 0.00 178.15 178.58 3f93 h GLU 35 N 0.52 0.64 -0.30 2.37 3.07 -1.96 -0.27 114.58 118.65 3f93 h GLU 35 Ca 0.49 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 3f93 h GLU 35 Cb 1.07 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3f93 h GLU 35 CO -0.22 0.71 -0.35 1.96 -1.40 0.00 0.00 179.01 179.70 3f93 h GLN 36 N 0.48 0.67 0.20 2.33 4.20 -1.70 -1.40 115.11 119.89 3f93 h GLN 36 Ca 0.11 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3f93 h GLN 36 Cb 0.39 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3f93 h GLN 36 CO 0.01 0.92 -0.10 0.87 -0.67 0.00 0.00 178.83 179.87 3f93 h LYS 37 N 0.56 -0.26 -0.68 1.46 1.57 -0.96 -2.87 116.57 115.40 3f93 h LYS 37 Ca 0.06 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3f93 h LYS 37 Cb 0.87 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3f93 h LYS 37 CO 0.08 -0.14 0.28 0.28 -0.57 0.00 0.00 179.45 179.38 3f93 h VAL 38 N -0.31 1.23 -0.75 0.50 2.07 -0.95 -1.56 116.25 116.47 3f93 h VAL 38 Ca -0.03 -0.71 0.20 0.00 0.82 0.00 0.00 66.70 66.98 3f93 h VAL 38 Cb 0.24 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3f93 h VAL 38 CO 0.05 0.29 0.53 0.00 0.02 0.00 0.00 177.57 178.45 3f93 h ALA 39 N 1.33 2.50 0.00 1.67 0.00 -1.11 0.61 119.26 124.25 3f93 h ALA 39 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3f93 h ALA 39 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3f93 h ALA 39 CO -0.02 -0.72 -0.21 1.96 0.00 0.00 0.00 179.25 180.26 3f93 h GLN 40 N 0.14 0.00 -0.00 0.00 1.08 -1.06 0.13 115.11 115.40 3f93 h GLN 40 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 3f93 h GLN 40 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 3f93 h GLN 40 CO -0.06 0.21 -0.52 -1.33 -0.95 0.00 0.00 178.83 176.19 3f93 n MET 41 N -3.84 0.34 -3.89 1.46 2.81 0.19 -3.63 117.12 110.55 3f93 n MET 41 Ca -0.02 -0.23 -0.35 0.00 -1.81 0.00 0.00 57.70 55.29 3f93 n MET 41 Cb 0.31 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.24 3f93 n MET 41 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3f93 s ILE 42 N -2.81 5.16 -0.34 2.02 -1.09 -1.14 0.53 121.20 123.53 3f93 s ILE 42 Ca 0.15 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3f93 s ILE 42 Cb 0.18 -3.31 0.11 0.00 -1.58 0.00 0.00 42.46 37.85 3f93 s ILE 42 CO 0.67 0.50 0.11 -1.58 -1.23 0.00 0.00 174.94 173.41 3f93 s GLN 43 N -0.05 1.06 1.08 2.79 0.74 -0.73 -3.55 119.66 121.01 3f93 s GLN 43 Ca 0.08 -1.49 -0.17 0.00 0.05 0.00 0.00 55.36 53.83 3f93 s GLN 43 Cb -0.12 -2.44 0.24 0.00 1.10 0.00 0.00 33.01 31.79 3f93 s GLN 43 CO 0.00 -1.00 1.18 -2.14 -0.55 0.00 0.00 175.29 172.78 3f93 s PRO 44 N 1.17 -0.29 0.06 1.67 0.02 -1.26 -2.23 135.00 134.14 3f93 s PRO 44 Ca 0.11 -0.10 0.07 0.00 0.02 0.00 0.00 61.00 61.10 3f93 s PRO 44 Cb -0.19 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3f93 s PRO 44 CO -0.16 -3.09 -0.19 -2.00 -0.33 0.00 0.00 177.00 171.24 3f93 s GLU 45 N -5.52 1.17 0.50 5.54 -6.30 -0.94 -0.32 118.70 112.84 3f93 s GLU 45 Ca 0.71 -0.98 0.17 0.00 -2.50 0.00 0.00 54.97 52.36 3f93 s GLU 45 Cb -0.09 -1.31 1.23 0.00 0.00 0.00 0.00 34.13 33.96 3f93 s GLU 45 CO 0.55 0.32 2.09 -0.84 0.02 0.00 0.00 175.26 177.40 3f93 h ILE 46 N 4.28 0.95 0.00 -3.70 3.07 -1.62 0.19 117.51 120.69 3f93 h ILE 46 Ca -0.43 -0.03 -0.01 0.00 1.55 0.00 0.00 64.86 65.94 3f93 h ILE 46 Cb 1.17 0.84 -0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3f93 h ILE 46 CO 0.42 0.02 -0.03 1.23 -1.05 0.00 0.00 178.15 178.74 3f93 h GLY 47 N 0.10 0.00 0.00 0.16 0.00 -1.90 -3.25 103.07 98.18 3f93 h GLY 47 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3f93 h GLY 47 CO -0.01 0.00 -1.12 -1.72 0.00 0.00 0.00 176.54 173.69 3f93 n TYR 48 N -3.38 0.00 -2.82 5.60 4.01 0.48 -5.02 117.16 116.03 3f93 n TYR 48 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 3f93 n TYR 48 Cb 0.14 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3f93 n TYR 48 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3f93 s LEU 49 N -3.53 4.33 0.32 7.72 2.96 -0.13 -4.99 118.68 125.36 3f93 s LEU 49 Ca -0.01 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.40 3f93 s LEU 49 Cb 0.01 -3.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 3f93 s LEU 49 CO 0.09 -0.25 0.49 0.42 -1.32 0.00 0.00 176.35 175.78 3f93 s THR 50 N 1.14 4.81 0.19 3.68 -4.23 -1.26 -4.84 115.64 115.12 3f93 s THR 50 Ca 0.46 -0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 3f93 s THR 50 Cb -0.19 -3.72 0.10 0.00 1.34 0.00 0.00 72.50 70.02 3f93 s THR 50 CO 0.23 -0.38 1.83 0.58 -0.54 0.00 0.00 174.62 176.34 3f93 h VAL 51 N 0.87 1.08 -0.80 2.29 2.07 -1.97 -1.61 116.25 118.17 3f93 h VAL 51 Ca -0.49 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3f93 h VAL 51 Cb 1.23 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3f93 h VAL 51 CO 0.59 0.13 0.53 -0.33 0.02 0.00 0.00 177.57 178.51 3f93 h GLU 52 N 0.72 1.03 -0.41 1.57 4.39 -1.98 0.18 114.58 120.07 3f93 h GLU 52 Ca 0.23 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3f93 h GLU 52 Cb 0.01 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 3f93 h GLU 52 CO -0.09 0.68 0.23 1.96 -1.16 0.00 0.00 179.01 180.62 3f93 h GLN 53 N 1.06 0.57 -0.73 2.33 4.20 -1.89 0.23 115.11 120.88 3f93 h GLN 53 Ca 0.30 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.00 3f93 h GLN 53 Cb -0.08 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.54 3f93 h GLN 53 CO -0.08 0.46 0.43 1.98 -0.67 0.00 0.00 178.83 180.95 3f93 h MET 54 N 0.54 0.79 -0.28 1.46 4.05 -0.28 -1.32 114.93 119.87 3f93 h MET 54 Ca 0.15 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 3f93 h MET 54 Cb 0.05 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 3f93 h MET 54 CO -0.02 0.52 -0.27 -0.09 0.23 0.00 0.00 176.91 177.28 3f93 h ARG 55 N 0.81 0.56 -0.19 0.39 2.43 -0.12 0.68 114.38 118.94 3f93 h ARG 55 Ca 0.31 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 3f93 h ARG 55 Cb 0.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3f93 h ARG 55 CO -0.16 0.78 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.42 3f93 h LYS 56 N 0.49 0.47 0.00 0.20 3.64 0.00 -3.33 116.57 118.05 3f93 h LYS 56 Ca 0.07 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3f93 h LYS 56 Cb 0.72 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3f93 h LYS 56 CO 0.06 0.83 -1.15 0.66 -2.27 0.00 0.00 179.45 177.57 3f93 n TYR 57 N -4.00 0.00 -3.47 1.91 4.01 -0.55 -3.77 117.16 111.29 3f93 n TYR 57 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 3f93 n TYR 57 Cb 0.53 -0.09 0.06 0.00 -0.31 0.00 0.00 39.34 39.53 3f93 n TYR 57 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f93 n GLY 58 N 2.56 -1.08 3.67 2.72 0.00 0.24 -4.81 105.19 108.48 3f93 n GLY 58 Ca -0.02 0.52 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 3f93 n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f93 n PHE 59 N -3.71 1.27 -0.06 1.61 3.72 -1.26 -4.55 117.46 114.48 3f93 n PHE 59 Ca -0.08 0.41 -0.08 0.00 -0.05 0.00 0.00 57.45 57.65 3f93 n PHE 59 Cb 0.60 -2.16 0.09 0.00 -0.94 0.00 0.00 39.48 37.07 3f93 n PHE 59 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3f93 h GLY 60 N -0.08 0.78 -1.92 1.37 0.00 -0.79 -3.40 103.07 99.04 3f93 h GLY 60 Ca -0.48 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.06 3f93 h GLY 60 CO 0.49 0.65 -0.02 -1.35 0.00 0.00 0.00 176.54 176.31 3f93 s SER 61 N -6.80 0.09 0.15 0.19 1.04 -1.26 -3.10 113.70 104.01 3f93 s SER 61 Ca -0.09 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.26 3f93 s SER 61 Cb 0.13 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.89 3f93 s SER 61 CO 0.84 -1.29 0.20 -0.72 0.98 0.00 0.00 173.24 173.25 3f93 s TYR 62 N -3.55 0.52 -0.12 5.02 1.13 -0.92 -4.01 117.35 115.43 3f93 s TYR 62 Ca 0.21 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 3f93 s TYR 62 Cb -0.02 -0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 40.63 3f93 s TYR 62 CO 0.11 -0.64 -0.12 -1.17 -2.51 0.00 0.00 175.55 171.23 3f93 s LEU 63 N -2.98 2.83 -1.08 -3.49 2.96 0.57 -0.13 118.68 117.35 3f93 s LEU 63 Ca 0.18 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 3f93 s LEU 63 Cb 0.05 -1.63 0.25 0.00 0.50 0.00 0.00 46.19 45.36 3f93 s LEU 63 CO -0.00 0.21 1.11 0.21 -1.32 0.00 0.00 176.35 176.55 3f93 s ASN 64 N 0.08 7.18 -0.08 3.68 3.04 0.18 -1.57 114.94 127.46 3f93 s ASN 64 Ca -0.05 -3.33 0.04 0.00 0.04 0.00 0.00 52.86 49.57 3f93 s ASN 64 Cb -0.14 -2.24 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 3f93 s ASN 64 CO 0.04 -0.42 -0.21 -0.83 -3.04 0.00 0.00 177.10 172.64 3f93 s GLY 65 N 1.74 1.17 0.00 1.21 0.00 -1.26 -4.12 107.32 106.06 3f93 s GLY 65 Ca 0.31 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3f93 s GLY 65 CO -0.07 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.35 3f93 n GLY 66 N 3.46 0.00 0.90 0.20 0.00 -1.26 -3.64 105.19 104.84 3f93 n GLY 66 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3f93 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f93 n ASN 67 N 0.00 1.59 -4.37 1.61 5.03 -1.26 -3.84 115.26 114.03 3f93 n ASN 67 Ca 0.00 -1.23 -0.23 0.00 0.87 0.00 0.00 54.58 53.99 3f93 n ASN 67 Cb 0.00 -0.31 -0.11 0.00 -1.02 0.00 0.00 39.78 38.34 3f93 n ASN 67 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3f93 s THR 68 N 0.10 1.98 0.03 3.41 -1.32 -1.24 -4.91 115.64 113.70 3f93 s THR 68 Ca 0.00 -2.02 0.02 0.00 -1.21 0.00 0.00 61.69 58.48 3f93 s THR 68 Cb 0.00 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 3f93 s THR 68 CO 0.00 -0.31 -0.07 0.00 -2.21 0.00 0.00 174.62 172.03 3f93 s ALA 69 N -2.11 0.56 0.17 11.08 0.00 -1.26 -4.78 121.76 125.42 3f93 s ALA 69 Ca 0.19 -0.61 -0.32 0.00 0.00 0.00 0.00 51.96 51.22 3f93 s ALA 69 Cb -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 3f93 s ALA 69 CO 0.08 0.03 1.58 -1.25 0.00 0.00 0.00 175.76 176.20 3f93 s PRO 70 N -1.14 4.20 0.00 0.00 0.04 -1.26 -0.58 135.00 136.26 3f93 s PRO 70 Ca -0.06 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3f93 s PRO 70 Cb -0.08 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3f93 s PRO 70 CO 0.00 -0.62 0.00 0.66 0.04 0.00 0.00 177.00 177.08 3f93 n TYR 71 N 3.92 0.00 -2.04 0.56 4.01 -1.26 -2.70 117.16 119.66 3f93 n TYR 71 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3f93 n TYR 71 Cb 0.38 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 3f93 n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f93 n GLY 72 N -2.00 0.47 3.38 2.72 0.00 0.25 -5.06 105.19 104.96 3f93 n GLY 72 Ca 0.00 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 3f93 n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f93 s ASN 73 N -2.98 4.56 0.00 1.61 2.47 -1.10 -4.93 114.94 114.56 3f93 s ASN 73 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 52.99 3f93 s ASN 73 Cb 0.00 -1.78 0.00 0.00 -1.45 0.00 0.00 41.25 38.02 3f93 s ASN 73 CO 0.00 0.03 0.96 0.29 -3.72 0.00 0.00 177.10 174.66 3f93 n LYS 74 N 4.49 0.00 -3.07 0.43 5.02 -1.26 -4.48 118.16 119.30 3f93 n LYS 74 Ca -0.18 0.47 -0.45 0.00 -2.02 0.00 0.00 58.31 56.13 3f93 n LYS 74 Cb 0.51 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 3f93 n LYS 74 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3f93 s ARG 75 N -2.85 3.25 -0.11 1.97 1.70 -1.26 -4.50 118.95 117.14 3f93 s ARG 75 Ca 0.00 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.76 3f93 s ARG 75 Cb 0.00 -4.43 0.02 0.00 -0.57 0.00 0.00 34.95 29.98 3f93 s ARG 75 CO 0.00 -1.60 -0.09 0.00 -1.08 0.00 0.00 175.30 172.53 3f93 s ALA 76 N 2.53 1.39 0.79 7.88 0.00 -1.26 -5.14 121.76 127.95 3f93 s ALA 76 Ca 0.18 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 3f93 s ALA 76 Cb -0.17 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.15 3f93 s ALA 76 CO 0.01 -0.31 1.10 0.16 0.00 0.00 0.00 175.76 176.73 3f93 s ASP 77 N 1.47 4.59 0.32 0.00 -4.77 -1.26 -4.83 116.67 112.19 3f93 s ASP 77 Ca 0.01 1.28 0.05 0.00 -3.30 0.00 0.00 52.55 50.59 3f93 s ASP 77 Cb -0.13 -2.01 0.85 0.00 -1.09 0.00 0.00 42.92 40.53 3f93 s ASP 77 CO -0.06 -1.90 1.57 -0.61 0.70 0.00 0.00 175.17 174.87 3f93 h GLN 78 N -1.04 0.01 -0.93 2.11 4.15 -1.94 -1.00 115.11 116.46 3f93 h GLN 78 Ca -0.47 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.07 3f93 h GLN 78 Cb 1.27 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.88 3f93 h GLN 78 CO 0.60 0.01 0.60 0.00 -1.93 0.00 0.00 178.83 178.10 3f93 h ALA 79 N 1.99 1.63 0.07 3.38 0.00 -1.92 -0.24 119.26 124.17 3f93 h ALA 79 Ca 0.64 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.30 3f93 h ALA 79 Cb 1.39 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3f93 h ALA 79 CO -0.90 0.15 -1.10 1.79 0.00 0.00 0.00 179.25 179.19 3f93 h THR 80 N 0.89 1.40 -0.44 0.00 1.35 -1.53 -2.86 112.91 111.72 3f93 h THR 80 Ca 0.45 -2.63 -0.02 0.00 -0.55 0.00 0.00 66.41 63.67 3f93 h THR 80 Cb 0.50 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 3f93 h THR 80 CO -0.21 0.78 0.21 -0.50 -0.25 0.00 0.00 175.52 175.54 3f93 h TRP 81 N 0.19 0.60 0.00 4.73 4.06 -1.37 -2.73 115.95 121.43 3f93 h TRP 81 Ca -0.12 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.82 3f93 h TRP 81 Cb 1.77 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.74 3f93 h TRP 81 CO 0.07 0.45 0.00 1.28 -3.56 0.00 0.00 178.44 176.69 3f93 n LEU 82 N -4.39 0.00 0.12 -4.49 4.77 -0.15 -2.25 117.00 110.61 3f93 n LEU 82 Ca 0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3f93 n LEU 82 Cb 0.12 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3f93 n LEU 82 CO 0.37 -0.29 0.00 1.17 -1.33 0.00 0.00 177.39 177.31 3f93 n LYS 83 N -1.36 0.00 -0.01 3.23 3.00 -1.24 -2.75 118.16 119.03 3f93 n LYS 83 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.22 3f93 n LYS 83 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.02 3f93 n LYS 83 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3f93 h TYR 84 N 0.00 0.12 -0.94 5.64 3.20 -1.41 -1.93 116.97 121.65 3f93 h TYR 84 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3f93 h TYR 84 Cb 0.00 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 3f93 h TYR 84 CO 0.00 0.27 0.61 0.00 -1.64 0.00 0.00 178.16 177.40 3f93 h ALA 85 N 0.83 1.49 -0.38 1.82 0.00 -1.60 -0.41 119.26 121.00 3f93 h ALA 85 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3f93 h ALA 85 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3f93 h ALA 85 CO -0.00 0.37 -0.09 -0.44 0.00 0.00 0.00 179.25 179.09 3f93 h ASP 86 N 1.07 0.74 -0.51 0.00 5.19 -1.42 0.66 116.42 122.15 3f93 h ASP 86 Ca 0.41 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 3f93 h ASP 86 Cb 0.21 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3f93 h ASP 86 CO -0.16 0.93 0.15 -0.33 -3.12 0.00 0.00 179.24 176.71 3f93 h GLU 87 N 0.54 0.79 -0.31 3.56 5.08 -0.43 0.36 114.58 124.17 3f93 h GLU 87 Ca 0.10 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3f93 h GLU 87 Cb 0.60 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3f93 h GLU 87 CO 0.04 0.75 -0.10 0.52 -1.00 0.00 0.00 179.01 179.21 3f93 h MET 88 N 0.69 0.62 0.16 2.33 2.86 -1.06 -1.45 114.93 119.09 3f93 h MET 88 Ca 0.16 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3f93 h MET 88 Cb 0.29 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3f93 h MET 88 CO -0.00 0.82 -0.24 -0.92 1.06 0.00 0.00 176.91 177.63 3f93 h TYR 89 N 0.39 -0.63 -0.24 -0.22 3.20 -0.60 -0.07 116.97 118.80 3f93 h TYR 89 Ca 0.08 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3f93 h TYR 89 Cb 0.61 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3f93 h TYR 89 CO 0.05 -0.34 0.06 -0.07 -1.64 0.00 0.00 178.16 176.22 3f93 h LEU 90 N -0.46 0.30 -0.69 2.82 3.38 -0.23 -0.39 115.31 120.04 3f93 h LEU 90 Ca 0.02 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3f93 h LEU 90 Cb 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3f93 h LEU 90 CO -0.11 0.32 -0.05 0.00 0.09 0.00 0.00 178.44 178.69 3f93 h ALA 91 N 1.73 0.90 -0.18 1.53 0.00 -0.63 -2.53 119.26 120.08 3f93 h ALA 91 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3f93 h ALA 91 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3f93 h ALA 91 CO -0.00 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.81 3f93 h ALA 92 N 1.06 0.25 0.00 0.00 0.00 -0.07 -3.07 119.26 117.43 3f93 h ALA 92 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3f93 h ALA 92 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3f93 h ALA 92 CO 0.03 0.06 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 3f93 n MET 93 N -4.60 0.35 -3.38 0.00 2.00 -0.25 -4.10 117.12 107.14 3f93 n MET 93 Ca -0.05 0.04 -0.39 0.00 0.00 0.00 0.00 57.70 57.30 3f93 n MET 93 Cb 0.31 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.94 3f93 n MET 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3f93 s ASP 94 N -2.15 6.30 -0.02 7.83 2.15 -0.96 -4.68 116.67 125.13 3f93 s ASP 94 Ca 0.18 0.34 0.12 0.00 0.43 0.00 0.00 52.55 53.62 3f93 s ASP 94 Cb 0.09 -2.22 0.37 0.00 -0.30 0.00 0.00 42.92 40.86 3f93 s ASP 94 CO 0.16 -0.18 1.28 -1.54 -0.17 0.00 0.00 175.17 174.72 3f93 n SER 95 N 5.23 2.38 -0.11 -0.34 3.41 -1.26 -4.58 113.62 118.35 3f93 n SER 95 Ca -0.08 -2.08 -0.09 0.00 -0.26 0.00 0.00 58.87 56.36 3f93 n SER 95 Cb 0.51 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3f93 n SER 95 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3f93 h THR 96 N 2.32 1.13 0.00 6.66 2.02 -1.89 -1.00 112.91 122.15 3f93 h THR 96 Ca 0.00 -0.34 -0.30 0.00 0.77 0.00 0.00 66.41 66.55 3f93 h THR 96 Cb 0.66 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 3f93 h THR 96 CO 0.04 0.13 -2.12 0.18 0.37 0.00 0.00 175.52 174.12 3f93 n LEU 97 N -4.79 1.71 0.01 2.58 4.77 -1.26 -4.56 117.00 115.47 3f93 n LEU 97 Ca -0.01 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 3f93 n LEU 97 Cb 0.07 -0.24 0.20 0.00 -2.33 0.00 0.00 43.42 41.12 3f93 n LEU 97 CO 0.35 0.65 0.38 -0.90 -1.33 0.00 0.00 177.39 176.54 3f93 n ASP 98 N -2.88 0.56 -0.71 -1.43 5.75 -1.25 -4.95 116.55 111.66 3f93 n ASP 98 Ca -0.31 -0.18 -0.09 0.00 -0.01 0.00 0.00 54.79 54.19 3f93 n ASP 98 Cb 0.94 0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 41.29 3f93 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f93 n GLY 99 N 1.45 1.07 3.44 6.12 0.00 -0.38 -4.90 105.19 111.99 3f93 n GLY 99 Ca 0.05 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 3f93 n GLY 99 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f93 s ILE 100 N -2.34 0.02 -0.66 -0.61 2.07 -1.26 -4.97 121.20 113.45 3f93 s ILE 100 Ca 0.00 -0.14 0.06 0.00 -1.41 0.00 0.00 60.65 59.15 3f93 s ILE 100 Cb 0.00 -0.88 0.25 0.00 0.13 0.00 0.00 42.46 41.95 3f93 s ILE 100 CO 0.00 -0.08 0.76 0.00 -1.91 0.00 0.00 174.94 173.71 3f93 n ALA 101 N 1.02 4.08 -2.82 1.50 0.00 -1.26 -4.08 120.51 118.94 3f93 n ALA 101 Ca -0.20 -4.76 -0.36 0.00 0.00 0.00 0.00 53.44 48.12 3f93 n ALA 101 Cb 0.57 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 3f93 n ALA 101 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3f93 s ILE 102 N -2.43 4.83 0.20 0.00 1.01 -1.26 -4.88 121.20 118.67 3f93 s ILE 102 Ca 0.39 -0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.71 3f93 s ILE 102 Cb 0.13 -3.22 -0.11 0.00 0.01 0.00 0.00 42.46 39.28 3f93 s ILE 102 CO -0.02 0.40 1.62 -2.84 0.00 0.00 0.00 174.94 174.10 3f93 s PRO 103 N 0.88 4.18 0.75 2.79 0.02 -1.26 -4.39 135.00 137.97 3f93 s PRO 103 Ca 0.05 2.47 -0.10 0.00 0.02 0.00 0.00 61.00 63.43 3f93 s PRO 103 Cb -0.13 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.33 3f93 s PRO 103 CO 0.03 -0.65 1.11 -0.08 -0.33 0.00 0.00 177.00 177.08 3f93 s THR 104 N 0.94 2.51 0.04 0.99 -1.32 -1.26 -4.97 115.64 112.57 3f93 s THR 104 Ca 0.70 0.07 0.04 0.00 -1.21 0.00 0.00 61.69 61.28 3f93 s THR 104 Cb -0.46 -3.14 -0.02 0.00 -1.51 0.00 0.00 72.50 67.36 3f93 s THR 104 CO 0.34 -0.18 -0.11 0.68 -2.21 0.00 0.00 174.62 173.14 3f93 s VAL 105 N -3.43 0.84 -0.05 5.08 -7.23 -1.18 -4.93 120.40 109.49 3f93 s VAL 105 Ca 0.60 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.61 3f93 s VAL 105 Cb -0.11 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 3f93 s VAL 105 CO 0.49 -0.11 0.72 0.86 -0.31 0.00 0.00 175.10 176.75 3f93 s TRP 106 N -0.92 3.59 -0.02 2.82 -0.11 -1.26 -2.16 118.94 120.88 3f93 s TRP 106 Ca -0.02 1.29 0.02 0.00 1.22 0.00 0.00 56.10 58.61 3f93 s TRP 106 Cb -0.08 -2.82 -0.03 0.00 -1.50 0.00 0.00 33.47 29.04 3f93 s TRP 106 CO 0.01 0.10 -0.07 0.20 -4.62 0.00 0.00 176.95 172.57 3f93 s GLY 107 N 0.74 1.72 0.06 5.86 0.00 0.82 -2.15 107.32 114.37 3f93 s GLY 107 Ca 0.38 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 3f93 s GLY 107 CO 0.19 -0.80 0.04 -1.08 0.00 0.00 0.00 173.10 171.45 3f93 s THR 108 N -0.92 0.19 0.15 0.90 -1.32 0.41 0.50 115.64 115.56 3f93 s THR 108 Ca 0.15 -1.55 -0.18 0.00 -1.21 0.00 0.00 61.69 58.90 3f93 s THR 108 Cb -0.11 -1.39 -0.07 0.00 -1.51 0.00 0.00 72.50 69.42 3f93 s THR 108 CO 0.05 -0.86 0.62 -0.62 -2.21 0.00 0.00 174.62 171.60 3f93 s ASP 109 N -2.80 7.00 -0.48 8.08 -1.08 -1.26 0.16 116.67 126.29 3f93 s ASP 109 Ca 0.05 1.27 0.05 0.00 -0.52 0.00 0.00 52.55 53.40 3f93 s ASP 109 Cb 0.06 -2.36 0.18 0.00 -1.46 0.00 0.00 42.92 39.34 3f93 s ASP 109 CO -0.10 0.14 0.42 0.00 0.52 0.00 0.00 175.17 176.15 3f93 n ALA 110 N 1.10 2.98 -0.23 3.66 0.00 -0.81 -4.31 120.51 122.89 3f93 n ALA 110 Ca -0.06 -3.53 -0.08 0.00 0.00 0.00 0.00 53.44 49.78 3f93 n ALA 110 Cb 0.51 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 19.18 3f93 n ALA 110 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3f93 h MET 111 N 5.28 1.11 -0.56 0.00 2.86 -1.89 -3.41 114.93 118.33 3f93 h MET 111 Ca 0.21 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3f93 h MET 111 Cb 0.86 -0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.23 3f93 h MET 111 CO 0.48 1.02 -0.28 -3.38 1.06 0.00 0.00 176.91 175.81 3f93 s HIS 112 N -5.18 -0.93 0.00 -0.22 -3.43 -1.26 -4.75 115.29 99.52 3f93 s HIS 112 Ca -0.12 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.03 3f93 s HIS 112 Cb 0.14 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 3f93 s HIS 112 CO 0.85 -0.69 0.00 0.41 -2.00 0.00 0.00 174.74 173.31 3f93 n GLY 113 N 3.31 -2.00 3.32 -1.38 0.00 -1.26 -3.17 105.19 104.00 3f93 n GLY 113 Ca 0.12 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3f93 n GLY 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3f93 n HIS 114 N -0.37 4.43 0.19 1.61 -0.00 -1.26 -4.54 115.22 115.29 3f93 n HIS 114 Ca 0.00 -3.13 0.11 0.00 0.46 0.00 0.00 57.72 55.17 3f93 n HIS 114 Cb 0.01 -2.25 0.13 0.00 -0.12 0.00 0.00 29.99 27.76 3f93 n HIS 114 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3f93 h SER 115 N 6.87 0.00 -0.17 0.26 4.64 -1.77 -2.71 113.55 120.67 3f93 h SER 115 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3f93 h SER 115 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3f93 h SER 115 CO 1.40 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.93 3f93 n ASN 116 N -3.02 1.47 -4.61 4.97 6.94 -1.26 0.18 115.26 119.93 3f93 n ASN 116 Ca 0.03 -1.72 -0.38 0.00 -0.02 0.00 0.00 54.58 52.48 3f93 n ASN 116 Cb 0.55 -0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.76 3f93 n ASN 116 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3f93 s VAL 117 N -1.78 5.25 0.01 3.53 1.01 -1.02 -4.57 120.40 122.83 3f93 s VAL 117 Ca 0.30 0.38 -0.33 0.00 0.00 0.00 0.00 61.98 62.33 3f93 s VAL 117 Cb 0.16 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 3f93 s VAL 117 CO 0.24 0.23 1.85 0.00 0.00 0.00 0.00 175.10 177.41 3f93 n TYR 118 N 5.01 2.41 0.00 5.22 9.36 -1.26 -1.23 117.16 136.66 3f93 n TYR 118 Ca -0.11 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.04 3f93 n TYR 118 Cb 0.51 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.54 3f93 n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3f93 n GLY 119 N 4.25 3.06 3.76 2.98 0.00 -1.26 -4.87 105.19 113.11 3f93 n GLY 119 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3f93 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 s ALA 120 N -2.56 3.07 0.19 4.61 0.00 -0.37 -4.13 121.76 122.57 3f93 s ALA 120 Ca 0.00 1.27 -0.33 0.00 0.00 0.00 0.00 51.96 52.90 3f93 s ALA 120 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3f93 s ALA 120 CO 0.00 -1.05 1.62 2.41 0.00 0.00 0.00 175.76 178.73 3f93 n THR 121 N -0.41 0.14 -3.80 0.00 -1.04 -1.26 -4.87 114.28 103.04 3f93 n THR 121 Ca 0.07 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.67 3f93 n THR 121 Cb 0.44 -1.71 -0.13 0.00 -1.82 0.00 0.00 70.33 67.11 3f93 n THR 121 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3f93 s LEU 122 N 0.85 4.15 0.63 -4.42 1.43 -1.26 -3.98 118.68 116.09 3f93 s LEU 122 Ca 0.76 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3f93 s LEU 122 Cb -0.61 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3f93 s LEU 122 CO 0.37 -0.30 1.04 -0.36 0.23 0.00 0.00 176.35 177.33 3f93 s PHE 123 N 1.36 3.49 0.43 0.29 0.08 -1.19 -1.43 117.98 121.01 3f93 s PHE 123 Ca -0.03 1.33 -0.23 0.00 0.12 0.00 0.00 56.93 58.13 3f93 s PHE 123 Cb -0.19 -2.76 -0.11 0.00 -0.57 0.00 0.00 43.02 39.38 3f93 s PHE 123 CO 0.02 -0.81 0.79 -2.30 -0.10 0.00 0.00 175.22 172.82 3f93 n PRO 124 N -2.78 0.94 -0.97 0.24 -0.02 -0.88 -4.41 135.00 127.12 3f93 n PRO 124 Ca 0.06 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 3f93 n PRO 124 Cb 0.54 -1.80 0.16 0.00 -0.02 0.00 0.00 33.50 32.37 3f93 n PRO 124 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3f93 s HIS 125 N -1.38 2.02 0.21 6.00 3.76 -0.48 -4.75 115.29 120.67 3f93 s HIS 125 Ca 0.64 1.43 -0.10 0.00 -0.15 0.00 0.00 55.06 56.89 3f93 s HIS 125 Cb -0.57 -3.18 0.29 0.00 1.11 0.00 0.00 32.58 30.24 3f93 s HIS 125 CO 0.56 -2.65 1.70 -0.91 -0.85 0.00 0.00 174.74 172.60 3f93 h ASN 126 N -1.74 -0.02 -0.72 1.40 4.21 -1.67 -1.93 115.58 115.10 3f93 h ASN 126 Ca -0.49 0.12 0.16 0.00 1.21 0.00 0.00 56.30 57.29 3f93 h ASN 126 Cb 1.28 0.16 -0.13 0.00 -1.12 0.00 0.00 38.32 38.51 3f93 h ASN 126 CO 0.50 -0.00 -0.05 -0.29 -1.29 0.00 0.00 177.43 176.29 3f93 h ILE 127 N 0.24 0.34 -0.02 2.81 2.10 -0.41 0.18 117.51 122.76 3f93 h ILE 127 Ca 0.32 -0.02 -0.10 0.00 1.08 0.00 0.00 64.86 66.13 3f93 h ILE 127 Cb 0.47 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 36.46 3f93 h ILE 127 CO -0.41 0.01 -0.45 1.23 -1.08 0.00 0.00 178.15 177.45 3f93 h GLY 128 N 0.07 0.05 2.00 8.18 0.00 -1.65 -2.53 103.07 109.18 3f93 h GLY 128 Ca 0.38 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 3f93 h GLY 128 CO -0.67 0.04 -0.42 1.41 0.00 0.00 0.00 176.54 176.90 3f93 h LEU 129 N 0.04 0.00 -0.53 3.11 3.38 -0.44 -2.68 115.31 118.19 3f93 h LEU 129 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3f93 h LEU 129 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3f93 h LEU 129 CO 0.06 0.42 -0.25 1.23 0.09 0.00 0.00 178.44 180.00 3f93 h GLY 130 N 1.37 1.01 1.13 0.83 0.00 -0.67 -2.83 103.07 103.90 3f93 h GLY 130 Ca -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 47.33 46.44 3f93 h GLY 130 CO 0.05 0.82 0.56 0.00 0.00 0.00 0.00 176.54 177.98 3f93 h ALA 131 N 0.92 1.42 -0.59 3.60 0.00 -1.22 -2.18 119.26 121.20 3f93 h ALA 131 Ca 0.10 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3f93 h ALA 131 Cb 0.81 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3f93 h ALA 131 CO 0.07 0.53 0.40 0.00 0.00 0.00 0.00 179.25 180.25 3f93 h ALA 132 N 1.48 2.00 -6.32 0.00 0.00 -1.22 -2.48 119.26 112.72 3f93 h ALA 132 Ca 0.32 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.76 3f93 h ALA 132 Cb -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3f93 h ALA 132 CO -0.08 -0.13 -0.89 0.54 0.00 0.00 0.00 179.25 178.69 3f93 n ARG 133 N -4.47 -3.02 -3.56 0.00 5.12 -0.82 -4.88 116.66 105.03 3f93 n ARG 133 Ca 0.10 0.47 -0.29 0.00 -1.93 0.00 0.00 57.85 56.19 3f93 n ARG 133 Cb 0.36 -4.56 -0.14 0.00 -1.16 0.00 0.00 32.46 26.96 3f93 n ARG 133 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3f93 s ASP 134 N -4.09 3.41 0.33 0.55 -1.08 -1.26 -4.99 116.67 109.53 3f93 s ASP 134 Ca 0.15 -1.82 0.09 0.00 -0.52 0.00 0.00 52.55 50.45 3f93 s ASP 134 Cb -0.05 -0.52 0.56 0.00 -1.46 0.00 0.00 42.92 41.45 3f93 s ASP 134 CO 0.86 -0.37 1.75 0.71 0.52 0.00 0.00 175.17 178.65 3f93 h THR 135 N 5.78 1.29 -0.19 1.71 1.35 -1.92 -2.46 112.91 118.47 3f93 h THR 135 Ca -0.07 -1.42 -0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3f93 h THR 135 Cb 0.99 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 3f93 h THR 135 CO 0.38 0.42 0.12 -0.78 -0.25 0.00 0.00 175.52 175.41 3f93 h ASP 136 N 0.13 0.23 -0.43 5.36 3.58 -1.97 -2.53 116.42 120.79 3f93 h ASP 136 Ca 0.01 -0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.47 3f93 h ASP 136 Cb 0.75 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.70 3f93 h ASP 136 CO 0.06 0.20 0.18 0.25 -2.88 0.00 0.00 179.24 177.05 3f93 h LEU 137 N 0.24 0.23 -0.30 2.28 5.85 -1.90 -0.96 115.31 120.75 3f93 h LEU 137 Ca 0.07 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3f93 h LEU 137 Cb 0.01 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3f93 h LEU 137 CO -0.01 0.17 -0.11 0.40 -0.34 0.00 0.00 178.44 178.55 3f93 h ILE 138 N 0.37 0.62 -0.53 4.05 1.08 -1.39 0.67 117.51 122.39 3f93 h ILE 138 Ca 0.19 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.73 3f93 h ILE 138 Cb 0.14 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 3f93 h ILE 138 CO -0.17 0.00 0.22 0.50 -0.69 0.00 0.00 178.15 178.01 3f93 h LYS 139 N -0.05 0.41 -0.75 2.37 3.64 -0.96 -1.12 116.57 120.11 3f93 h LYS 139 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3f93 h LYS 139 Cb 0.28 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3f93 h LYS 139 CO -0.34 0.27 0.41 0.00 -2.27 0.00 0.00 179.45 177.52 3f93 h ARG 140 N 0.42 1.03 -0.20 1.90 3.08 0.00 -1.18 114.38 119.43 3f93 h ARG 140 Ca 0.25 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3f93 h ARG 140 Cb 0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3f93 h ARG 140 CO -0.23 0.75 0.05 0.82 -1.07 0.00 0.00 179.97 180.30 3f93 h ILE 141 N 1.04 1.20 -0.25 2.04 2.04 -0.32 -1.23 117.51 122.02 3f93 h ILE 141 Ca 0.26 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.55 3f93 h ILE 141 Cb 0.02 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3f93 h ILE 141 CO -0.04 0.20 -0.28 1.23 0.00 0.00 0.00 178.15 179.26 3f93 h GLY 142 N 0.15 -0.24 0.58 5.37 0.00 -0.74 0.21 103.07 108.39 3f93 h GLY 142 Ca 0.06 0.35 0.11 0.00 0.00 0.00 0.00 47.33 47.85 3f93 h GLY 142 CO -0.00 -0.21 0.62 1.46 0.00 0.00 0.00 176.54 178.41 3f93 h GLN 143 N -0.28 0.94 -0.08 4.80 4.20 -0.44 0.19 115.11 124.44 3f93 h GLN 143 Ca 0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3f93 h GLN 143 Cb 0.50 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3f93 h GLN 143 CO -0.41 0.62 -0.09 0.00 -0.67 0.00 0.00 178.83 178.28 3f93 h ALA 144 N 1.54 0.12 -0.10 3.87 0.00 -0.75 -2.69 119.26 121.25 3f93 h ALA 144 Ca 0.46 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3f93 h ALA 144 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3f93 h ALA 144 CO -0.22 -0.06 -0.00 1.15 0.00 0.00 0.00 179.25 180.12 3f93 h THR 145 N -0.23 0.93 -0.78 0.00 2.02 -0.09 -0.78 112.91 113.97 3f93 h THR 145 Ca 0.01 -0.01 0.16 0.00 0.77 0.00 0.00 66.41 67.34 3f93 h THR 145 Cb 0.60 0.90 -0.15 0.00 -1.74 0.00 0.00 68.15 67.77 3f93 h THR 145 CO 0.02 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.75 3f93 h ALA 146 N 1.08 0.57 -0.72 6.16 0.00 -0.64 0.18 119.26 125.88 3f93 h ALA 146 Ca 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3f93 h ALA 146 Cb 0.06 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3f93 h ALA 146 CO -0.08 -0.41 0.19 0.87 0.00 0.00 0.00 179.25 179.82 3f93 h LYS 147 N 0.01 1.14 -0.06 0.00 1.57 -1.04 0.16 116.57 118.36 3f93 h LYS 147 Ca 0.39 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3f93 h LYS 147 Cb 0.61 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3f93 h LYS 147 CO -0.79 0.99 -0.52 0.93 -0.57 0.00 0.00 179.45 179.49 3f93 h GLU 148 N 1.08 0.16 0.21 3.15 5.08 0.07 -1.66 114.58 122.67 3f93 h GLU 148 Ca 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3f93 h GLU 148 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3f93 h GLU 148 CO -0.00 0.65 -0.10 0.28 -1.00 0.00 0.00 179.01 178.84 3f93 h VAL 149 N 0.13 0.74 -0.97 3.13 2.07 -0.43 -3.18 116.25 117.74 3f93 h VAL 149 Ca 0.00 -1.00 0.32 0.00 0.82 0.00 0.00 66.70 66.84 3f93 h VAL 149 Cb 0.97 1.22 -0.16 0.00 -1.52 0.00 0.00 31.29 31.80 3f93 h VAL 149 CO 0.08 0.18 0.44 0.00 0.02 0.00 0.00 177.57 178.29 3f93 h ALA 150 N -0.37 1.78 0.00 1.67 0.00 -0.62 -0.79 119.26 120.93 3f93 h ALA 150 Ca -0.03 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3f93 h ALA 150 Cb 0.51 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3f93 h ALA 150 CO 0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 179.25 178.63 3f93 h ALA 151 N 1.87 1.41 -0.02 0.00 0.00 -1.28 0.36 119.26 121.61 3f93 h ALA 151 Ca 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3f93 h ALA 151 Cb 1.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3f93 h ALA 151 CO -0.68 0.05 -0.30 0.25 0.00 0.00 0.00 179.25 178.57 3f93 n THR 152 N -3.73 0.00 -1.31 0.00 -2.24 -0.32 -4.86 114.28 101.81 3f93 n THR 152 Ca -0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3f93 n THR 152 Cb 0.14 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3f93 n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f93 n GLY 153 N 1.37 0.54 3.83 3.38 0.00 0.12 -4.25 105.19 110.18 3f93 n GLY 153 Ca 0.12 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 3f93 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f93 s ILE 154 N -2.00 5.32 -0.08 -0.61 1.01 -1.18 -4.79 121.20 118.87 3f93 s ILE 154 Ca 0.00 0.46 0.11 0.00 0.00 0.00 0.00 60.65 61.22 3f93 s ILE 154 Cb 0.00 -3.54 -0.24 0.00 0.01 0.00 0.00 42.46 38.69 3f93 s ILE 154 CO 0.00 0.55 0.53 -0.62 0.00 0.00 0.00 174.94 175.40 3f93 n GLU 155 N 2.35 0.65 -4.37 2.79 4.71 -1.15 -3.82 120.64 121.80 3f93 n GLU 155 Ca -0.16 0.24 -0.31 0.00 -0.01 0.00 0.00 57.16 56.92 3f93 n GLU 155 Cb 0.53 -1.74 -0.16 0.00 -1.01 0.00 0.00 31.44 29.06 3f93 n GLU 155 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 3f93 s TRP 156 N -2.58 2.41 -0.03 -0.32 -0.00 -0.91 -1.66 118.94 115.85 3f93 s TRP 156 Ca -0.08 -1.27 0.04 0.00 -0.00 0.00 0.00 56.10 54.80 3f93 s TRP 156 Cb 0.08 -1.69 -0.01 0.00 -0.00 0.00 0.00 33.47 31.85 3f93 s TRP 156 CO 0.82 -0.63 -0.17 -1.54 -0.00 0.00 0.00 176.95 175.43 3f93 s SER 157 N 1.09 2.06 -0.47 5.86 1.04 -0.45 -0.44 113.70 122.39 3f93 s SER 157 Ca -0.02 -0.33 -0.27 0.00 0.48 0.00 0.00 55.95 55.80 3f93 s SER 157 Cb -0.14 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.53 3f93 s SER 157 CO -0.06 0.16 1.04 -0.36 0.98 0.00 0.00 173.24 175.01 3f93 s PHE 158 N -0.07 2.87 0.00 5.02 2.99 0.12 -2.86 117.98 126.05 3f93 s PHE 158 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 56.93 57.50 3f93 s PHE 158 Cb -0.10 -4.22 0.00 0.00 0.00 0.00 0.00 43.02 38.70 3f93 s PHE 158 CO 0.01 -1.19 0.00 0.00 -0.00 0.00 0.00 175.22 174.05 3f93 n ALA 159 N 7.53 0.00 -1.93 5.36 0.00 -0.08 -1.93 120.51 129.45 3f93 n ALA 159 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 3f93 n ALA 159 Cb 0.49 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.03 3f93 n ALA 159 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3f93 s PRO 160 N -1.87 1.92 -0.37 0.00 0.04 -1.23 -2.79 135.00 130.70 3f93 s PRO 160 Ca 0.00 -0.30 -0.17 0.00 0.04 0.00 0.00 61.00 60.56 3f93 s PRO 160 Cb 0.00 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3f93 s PRO 160 CO 0.00 -1.46 0.47 0.99 0.04 0.00 0.00 177.00 177.04 3f93 s THR 161 N -3.37 5.06 -0.31 1.26 2.01 -1.25 0.15 115.64 119.19 3f93 s THR 161 Ca 0.63 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.83 3f93 s THR 161 Cb -0.09 -3.96 0.62 0.00 0.01 0.00 0.00 72.50 69.07 3f93 s THR 161 CO 0.46 -0.26 1.64 1.33 -0.69 0.00 0.00 174.62 177.11 3f93 n VAL 162 N 5.41 2.73 -1.86 3.82 0.24 0.37 -4.57 118.33 124.47 3f93 n VAL 162 Ca -0.06 -2.08 -0.39 0.00 -2.04 0.00 0.00 64.34 59.77 3f93 n VAL 162 Cb 0.49 -0.34 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 3f93 n VAL 162 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f93 s ALA 163 N -3.09 3.01 -0.35 2.33 0.00 -1.25 -4.58 121.76 117.82 3f93 s ALA 163 Ca 0.50 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.76 3f93 s ALA 163 Cb 0.42 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 20.07 3f93 s ALA 163 CO 0.08 -1.19 0.10 0.08 0.00 0.00 0.00 175.76 174.82 3f93 s VAL 164 N -1.29 3.09 -0.12 0.00 1.01 -1.26 -4.14 120.40 117.69 3f93 s VAL 164 Ca 0.66 -1.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 3f93 s VAL 164 Cb -0.40 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3f93 s VAL 164 CO 0.49 -0.40 0.82 -0.69 0.00 0.00 0.00 175.10 175.32 3f93 s VAL 165 N 1.18 4.92 -0.34 2.92 1.01 -1.23 -4.30 120.40 124.57 3f93 s VAL 165 Ca 0.02 1.65 0.10 0.00 0.00 0.00 0.00 61.98 63.74 3f93 s VAL 165 Cb -0.21 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 31.91 3f93 s VAL 165 CO -0.03 0.10 0.36 0.54 0.00 0.00 0.00 175.10 176.07 3f93 n ARG 166 N 4.67 2.93 -3.65 2.72 5.12 -0.38 -4.03 116.66 124.03 3f93 n ARG 166 Ca 0.03 -0.02 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 3f93 n ARG 166 Cb 0.50 -1.02 -0.17 0.00 -1.16 0.00 0.00 32.46 30.60 3f93 n ARG 166 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3f93 s ASP 167 N -2.22 2.38 0.00 0.55 -1.08 -1.26 -4.18 116.67 110.86 3f93 s ASP 167 Ca 0.02 -0.60 0.11 0.00 -0.52 0.00 0.00 52.55 51.56 3f93 s ASP 167 Cb 0.07 -0.33 0.60 0.00 -1.46 0.00 0.00 42.92 41.80 3f93 s ASP 167 CO 0.40 -0.33 1.23 0.47 0.52 0.00 0.00 175.17 177.46 3f93 n ASP 168 N 5.22 0.00 0.25 -0.34 8.00 -1.20 -2.76 116.55 125.71 3f93 n ASP 168 Ca -0.07 0.02 0.17 0.00 0.71 0.00 0.00 54.79 55.61 3f93 n ASP 168 Cb 0.49 -0.23 0.71 0.00 -0.02 0.00 0.00 41.12 42.07 3f93 n ASP 168 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3f93 h ARG 169 N 0.00 0.00 -6.66 -1.24 3.08 -1.86 -3.44 114.38 104.26 3f93 h ARG 169 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3f93 h ARG 169 Cb 0.08 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.18 3f93 h ARG 169 CO 0.00 0.00 0.79 -0.46 -1.07 0.00 0.00 179.97 179.23 3f93 s TRP 170 N -3.65 3.08 -2.00 3.04 -0.00 -1.11 -0.97 118.94 117.33 3f93 s TRP 170 Ca 0.01 0.87 0.03 0.00 -0.00 0.00 0.00 56.10 57.01 3f93 s TRP 170 Cb 0.09 -3.83 0.18 0.00 -0.00 0.00 0.00 33.47 29.92 3f93 s TRP 170 CO 0.47 -2.87 0.84 0.41 -0.00 0.00 0.00 176.95 175.79 3f93 n GLY 171 N 3.00 -0.70 0.14 5.86 0.00 -1.25 -2.29 105.19 109.96 3f93 n GLY 171 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3f93 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f93 n ARG 172 N -0.57 1.24 -0.21 1.61 1.74 -1.26 -3.21 116.66 115.99 3f93 n ARG 172 Ca 0.02 -1.83 -0.02 0.00 -0.77 0.00 0.00 57.85 55.26 3f93 n ARG 172 Cb 0.01 -1.09 0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3f93 n ARG 172 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3f93 h THR 173 N 1.79 0.94 -0.04 0.55 2.02 -1.72 -0.62 112.91 115.83 3f93 h THR 173 Ca 0.00 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3f93 h THR 173 Cb 0.98 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3f93 h THR 173 CO 0.00 0.11 0.19 0.10 0.37 0.00 0.00 175.52 176.29 3f93 h TYR 174 N 0.61 0.00 0.00 3.16 -0.00 -1.61 -1.44 116.97 117.69 3f93 h TYR 174 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.02 3f93 h TYR 174 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.94 3f93 h TYR 174 CO -0.09 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.46 3f93 n GLU 175 N -3.11 0.19 -3.67 0.10 1.02 -0.24 -1.19 120.64 113.73 3f93 n GLU 175 Ca -0.02 0.30 -0.36 0.00 -0.02 0.00 0.00 57.16 57.07 3f93 n GLU 175 Cb 0.26 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 3f93 n GLU 175 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3f93 s SER 176 N -4.17 6.59 0.28 1.62 0.15 -0.54 -4.60 113.70 113.03 3f93 s SER 176 Ca 0.07 0.71 0.11 0.00 0.70 0.00 0.00 55.95 57.54 3f93 s SER 176 Cb 0.11 -2.15 0.36 0.00 -1.71 0.00 0.00 66.02 62.63 3f93 s SER 176 CO 0.47 0.28 1.61 1.88 1.20 0.00 0.00 173.24 178.68 3f93 h TYR 177 N 4.31 0.00 -1.23 3.44 0.05 -1.78 -2.08 116.97 119.68 3f93 h TYR 177 Ca -0.51 0.00 0.22 0.00 0.05 0.00 0.00 58.73 58.49 3f93 h TYR 177 Cb 1.21 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.71 3f93 h TYR 177 CO 0.70 0.61 0.86 0.45 -1.05 0.00 0.00 178.16 179.73 3f93 s SER 178 N -6.79 -0.11 0.47 3.88 0.15 -1.26 -3.81 113.70 106.22 3f93 s SER 178 Ca -0.01 0.09 0.31 0.00 0.70 0.00 0.00 55.95 57.04 3f93 s SER 178 Cb 0.12 0.10 1.23 0.00 -1.71 0.00 0.00 66.02 65.76 3f93 s SER 178 CO 0.76 -0.13 1.90 1.05 1.20 0.00 0.00 173.24 178.02 3f93 h GLU 179 N 2.13 0.00 -5.50 5.44 4.11 -1.64 -3.25 114.58 115.85 3f93 h GLU 179 Ca -0.09 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.73 3f93 h GLU 179 Cb 1.17 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 3f93 h GLU 179 CO 0.23 0.00 0.15 0.34 0.07 0.00 0.00 179.01 179.81 3f93 s ASP 180 N -5.33 6.57 0.37 3.06 2.15 -1.26 -4.70 116.67 117.53 3f93 s ASP 180 Ca 0.02 0.69 0.08 0.00 0.43 0.00 0.00 52.55 53.77 3f93 s ASP 180 Cb 0.09 -2.33 0.80 0.00 -0.30 0.00 0.00 42.92 41.18 3f93 s ASP 180 CO 0.51 -0.37 1.93 1.55 -0.17 0.00 0.00 175.17 178.62 3f93 h PRO 181 N 7.91 0.67 -0.82 4.34 0.13 -1.84 -2.93 132.00 139.47 3f93 h PRO 181 Ca -0.27 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.85 3f93 h PRO 181 Cb 1.12 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 3f93 h PRO 181 CO 0.77 0.45 0.53 -0.44 -0.23 0.00 0.00 178.00 179.07 3f93 h ASP 182 N 0.69 0.88 -0.16 1.44 3.32 -1.93 0.18 116.42 120.84 3f93 h ASP 182 Ca 0.35 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 3f93 h ASP 182 Cb 0.44 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3f93 h ASP 182 CO -0.13 0.61 -0.13 0.25 -1.72 0.00 0.00 179.24 178.12 3f93 h LEU 183 N 1.03 0.39 -0.80 1.55 6.46 -1.94 -1.68 115.31 120.32 3f93 h LEU 183 Ca 0.33 -0.45 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 3f93 h LEU 183 Cb -0.00 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.76 3f93 h LEU 183 CO -0.11 0.76 0.49 0.58 -0.62 0.00 0.00 178.44 179.55 3f93 h VAL 184 N 0.03 1.06 -0.12 1.05 2.07 -1.24 -0.76 116.25 118.35 3f93 h VAL 184 Ca 0.03 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3f93 h VAL 184 Cb 0.64 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3f93 h VAL 184 CO 0.03 0.17 -0.05 0.50 0.02 0.00 0.00 177.57 178.25 3f93 h LYS 185 N 0.93 0.18 0.00 1.57 3.64 -0.54 -1.38 116.57 120.96 3f93 h LYS 185 Ca 0.34 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 3f93 h LYS 185 Cb 0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3f93 h LYS 185 CO -0.15 0.24 -0.37 0.00 -2.27 0.00 0.00 179.45 176.90 3f93 h ARG 186 N 0.17 0.00 0.05 1.90 3.08 -0.19 -3.38 114.38 116.02 3f93 h ARG 186 Ca 0.04 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 3f93 h ARG 186 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3f93 h ARG 186 CO 0.01 0.37 -1.81 0.66 -1.07 0.00 0.00 179.97 178.13 3f93 n TYR 187 N -3.26 0.90 -0.09 3.04 4.02 -0.83 -4.37 117.16 116.57 3f93 n TYR 187 Ca 0.02 0.28 -0.08 0.00 -0.01 0.00 0.00 57.90 58.11 3f93 n TYR 187 Cb 0.63 -1.10 -0.02 0.00 -0.02 0.00 0.00 39.34 38.82 3f93 n TYR 187 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f93 h ALA 188 N -0.29 -0.23 -0.99 -0.72 0.00 -1.43 -1.36 119.26 114.23 3f93 h ALA 188 Ca -0.44 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.61 3f93 h ALA 188 Cb 1.67 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 20.09 3f93 h ALA 188 CO -0.11 -0.74 0.64 0.78 0.00 0.00 0.00 179.25 179.82 3f93 h GLY 189 N -0.28 1.49 0.87 0.00 0.00 -1.76 -0.88 103.07 102.51 3f93 h GLY 189 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3f93 h GLY 189 CO -0.50 0.36 0.01 0.83 0.00 0.00 0.00 176.54 177.24 3f93 h GLU 190 N 1.19 0.02 -0.69 4.80 4.39 -1.48 0.13 114.58 122.94 3f93 h GLU 190 Ca 0.42 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.16 3f93 h GLU 190 Cb 0.11 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 3f93 h GLU 190 CO -0.16 0.14 0.41 1.98 -1.16 0.00 0.00 179.01 180.23 3f93 h MET 191 N -0.11 0.76 0.14 2.33 4.05 -1.06 0.33 114.93 121.37 3f93 h MET 191 Ca 0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3f93 h MET 191 Cb 0.13 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3f93 h MET 191 CO -0.00 0.50 -0.07 0.28 0.23 0.00 0.00 176.91 177.86 3f93 h VAL 192 N 0.79 0.90 0.00 -5.77 2.07 -0.81 -1.45 116.25 111.97 3f93 h VAL 192 Ca 0.29 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3f93 h VAL 192 Cb 0.09 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3f93 h VAL 192 CO -0.14 0.03 -0.11 0.71 0.02 0.00 0.00 177.57 178.08 3f93 h THR 193 N -0.25 0.52 -0.16 2.57 1.35 -0.50 -0.88 112.91 115.55 3f93 h THR 193 Ca -0.02 -0.52 -0.12 0.00 -0.55 0.00 0.00 66.41 65.20 3f93 h THR 193 Cb 0.20 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 3f93 h THR 193 CO 0.03 0.11 -0.43 1.23 -0.25 0.00 0.00 175.52 176.21 3f93 h GLY 194 N 0.90 0.41 0.51 5.82 0.00 0.29 -0.48 103.07 110.52 3f93 h GLY 194 Ca -0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 47.33 46.59 3f93 h GLY 194 CO 0.01 0.37 -1.80 -2.22 0.00 0.00 0.00 176.54 172.90 3f93 h ILE 195 N 0.31 0.73 0.00 2.60 2.04 -0.71 -2.01 117.51 120.47 3f93 h ILE 195 Ca 0.03 -2.33 -0.07 0.00 1.00 0.00 0.00 64.86 63.49 3f93 h ILE 195 Cb 0.88 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 3f93 h ILE 195 CO 0.07 0.77 -1.89 0.00 0.00 0.00 0.00 178.15 177.11 3f93 n GLN 196 N -3.70 0.65 0.00 2.37 6.02 -0.39 0.02 117.38 122.35 3f93 n GLN 196 Ca -0.31 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 3f93 n GLN 196 Cb 0.97 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.65 3f93 n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f93 n GLY 197 N 1.33 0.16 3.76 1.08 0.00 -0.19 -0.02 105.19 111.31 3f93 n GLY 197 Ca -0.08 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 3f93 n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f93 s ASP 198 N -1.81 6.98 0.19 1.61 -0.00 -1.25 -4.52 116.67 117.87 3f93 s ASP 198 Ca 0.00 2.34 -0.31 0.00 -0.00 0.00 0.00 52.55 54.58 3f93 s ASP 198 Cb 0.00 -2.62 -0.16 0.00 -0.00 0.00 0.00 42.92 40.14 3f93 s ASP 198 CO 0.00 -0.35 1.01 0.52 -0.00 0.00 0.00 175.17 176.35 3f93 n VAL 199 N 0.77 1.28 0.00 -1.27 0.31 -1.26 -2.60 118.33 115.56 3f93 n VAL 199 Ca 0.01 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3f93 n VAL 199 Cb 0.45 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3f93 n VAL 199 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f93 n GLY 200 N 1.78 0.52 0.23 2.92 0.00 -1.26 -4.84 105.19 104.54 3f93 n GLY 200 Ca 0.15 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3f93 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 h ALA 201 N 0.00 1.35 -0.60 4.61 0.00 -2.03 -2.82 119.26 119.77 3f93 h ALA 201 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3f93 h ALA 201 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3f93 h ALA 201 CO 0.00 0.44 0.00 -0.25 0.00 0.00 0.00 179.25 179.44 3f93 n ASP 202 N -4.20 4.07 -4.69 0.00 9.92 -1.26 -4.92 116.55 115.47 3f93 n ASP 202 Ca -0.01 -2.29 -0.42 0.00 -0.53 0.00 0.00 54.79 51.54 3f93 n ASP 202 Cb 0.33 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 3f93 n ASP 202 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3f93 s PHE 203 N -1.64 2.39 -1.34 1.24 2.19 -1.07 -3.09 117.98 116.66 3f93 s PHE 203 Ca 0.45 0.29 -0.10 0.00 0.33 0.00 0.00 56.93 57.90 3f93 s PHE 203 Cb 0.28 -3.98 0.07 0.00 -1.31 0.00 0.00 43.02 38.07 3f93 s PHE 203 CO 0.24 -3.96 0.54 1.28 1.83 0.00 0.00 175.22 175.15 3f93 n LEU 204 N 5.61 -1.72 -4.65 6.12 4.77 0.97 -4.99 117.00 123.12 3f93 n LEU 204 Ca 0.16 -0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 55.39 3f93 n LEU 204 Cb 0.40 -2.22 -0.09 0.00 -2.33 0.00 0.00 43.42 39.18 3f93 n LEU 204 CO 0.63 0.19 -0.35 -0.54 -1.33 0.00 0.00 177.39 175.99 3f93 s LYS 205 N -6.06 2.60 7.73 3.23 -0.14 -1.18 -4.66 119.74 121.26 3f93 s LYS 205 Ca 0.42 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.29 3f93 s LYS 205 Cb -0.22 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 3f93 s LYS 205 CO 0.52 0.59 0.00 0.41 -0.76 0.00 0.00 175.35 176.11 3f93 n GLY 206 N 1.17 4.01 0.17 -3.33 0.00 -1.26 -2.62 105.19 103.32 3f93 n GLY 206 Ca -0.14 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3f93 n GLY 206 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f93 h SER 207 N 0.00 0.00 -3.87 1.61 4.64 -1.95 -3.45 113.55 110.53 3f93 h SER 207 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3f93 h SER 207 Cb 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.23 3f93 h SER 207 CO 0.00 0.00 0.51 0.59 -0.87 0.00 0.00 176.83 177.06 3f93 n ASN 208 N -2.45 2.36 -4.47 4.97 5.03 -1.08 -4.45 115.26 115.19 3f93 n ASN 208 Ca 0.02 0.97 -0.29 0.00 0.87 0.00 0.00 54.58 56.15 3f93 n ASN 208 Cb 0.24 -1.53 -0.12 0.00 -1.02 0.00 0.00 39.78 37.35 3f93 n ASN 208 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3f93 s ARG 209 N -2.76 1.69 -0.00 3.52 1.81 0.10 -4.67 118.95 118.64 3f93 s ARG 209 Ca 0.71 -1.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.18 3f93 s ARG 209 Cb -0.43 -2.05 -0.08 0.00 -0.45 0.00 0.00 34.95 31.93 3f93 s ARG 209 CO 0.50 0.47 2.00 0.42 -0.68 0.00 0.00 175.30 178.00 3f93 s ILE 210 N -1.18 3.03 0.30 1.52 1.01 -0.66 -3.53 121.20 121.68 3f93 s ILE 210 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.92 3f93 s ILE 210 Cb -0.10 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3f93 s ILE 210 CO 0.09 -0.01 0.42 0.00 0.00 0.00 0.00 174.94 175.45 3f93 s ALA 211 N 4.99 4.11 -0.11 9.38 0.00 -1.26 -1.34 121.76 137.53 3f93 s ALA 211 Ca 0.90 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3f93 s ALA 211 Cb -0.41 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.08 3f93 s ALA 211 CO 0.40 0.07 0.06 0.99 0.00 0.00 0.00 175.76 177.28 3f93 s THR 212 N -2.11 0.02 -0.14 0.00 2.01 -1.12 -1.89 115.64 112.42 3f93 s THR 212 Ca 0.41 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 62.25 3f93 s THR 212 Cb -0.09 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 3f93 s THR 212 CO 0.30 -0.01 0.77 0.00 -0.69 0.00 0.00 174.62 174.99 3f93 s ALA 213 N 2.10 3.45 0.09 7.40 0.00 -0.10 -0.90 121.76 133.81 3f93 s ALA 213 Ca 0.03 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3f93 s ALA 213 Cb -0.14 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3f93 s ALA 213 CO -0.06 -0.46 -0.17 -1.59 0.00 0.00 0.00 175.76 173.48 3f93 s LYS 214 N 1.68 0.97 0.03 0.00 -2.85 0.12 -2.10 119.74 117.59 3f93 s LYS 214 Ca 0.37 -1.07 0.06 0.00 -1.00 0.00 0.00 55.97 54.33 3f93 s LYS 214 Cb -0.17 -1.08 -0.03 0.00 -2.06 0.00 0.00 37.83 34.49 3f93 s LYS 214 CO 0.14 0.24 -0.16 -1.01 0.10 0.00 0.00 175.35 174.66 3f93 s HIS 215 N -1.30 2.60 -0.41 1.78 0.09 -1.26 0.14 115.29 116.93 3f93 s HIS 215 Ca 0.03 -0.23 -0.19 0.00 -0.00 0.00 0.00 55.06 54.67 3f93 s HIS 215 Cb -0.10 -1.49 0.01 0.00 -0.00 0.00 0.00 32.58 31.01 3f93 s HIS 215 CO 0.03 0.26 0.54 0.12 -0.00 0.00 0.00 174.74 175.70 3f93 s PHE 216 N -0.92 3.13 0.07 1.40 5.36 0.15 -4.26 117.98 122.92 3f93 s PHE 216 Ca 0.15 -0.08 -0.25 0.00 -0.96 0.00 0.00 56.93 55.79 3f93 s PHE 216 Cb -0.11 -3.08 0.07 0.00 -0.34 0.00 0.00 43.02 39.56 3f93 s PHE 216 CO 0.05 -0.72 0.60 0.54 -1.46 0.00 0.00 175.22 174.24 3f93 s VAL 217 N 2.49 0.01 0.00 3.12 0.11 -1.26 -0.85 120.40 124.02 3f93 s VAL 217 Ca 0.18 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 3f93 s VAL 217 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 3f93 s VAL 217 CO 0.16 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 3f93 n GLY 218 N 0.18 0.73 0.28 6.54 0.00 -1.26 -4.87 105.19 106.78 3f93 n GLY 218 Ca -0.18 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3f93 n GLY 218 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3f93 h ASP 219 N 0.00 0.00 -0.33 1.61 2.03 -1.93 0.57 116.42 118.37 3f93 h ASP 219 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3f93 h ASP 219 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3f93 h ASP 219 CO 0.00 0.07 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 3f93 n GLY 220 N -0.90 1.05 0.06 7.15 0.00 -1.26 -4.09 105.19 107.21 3f93 n GLY 220 Ca -0.02 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.66 3f93 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f93 n GLY 221 N 0.84 3.46 3.75 -0.02 0.00 0.19 -1.25 105.19 112.16 3f93 n GLY 221 Ca 0.12 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3f93 n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f93 s THR 222 N -1.80 3.79 0.22 2.61 -4.23 -1.25 -4.09 115.64 110.90 3f93 s THR 222 Ca 0.15 1.67 -0.32 0.00 -1.18 0.00 0.00 61.69 62.02 3f93 s THR 222 Cb 0.13 -4.07 -0.14 0.00 1.34 0.00 0.00 72.50 69.77 3f93 s THR 222 CO 0.01 0.35 1.32 -0.62 -0.54 0.00 0.00 174.62 175.14 3f93 n GLU 223 N 1.80 1.76 -1.34 3.99 -0.58 -0.42 -1.16 120.64 124.70 3f93 n GLU 223 Ca 0.00 0.63 -0.13 0.00 -0.42 0.00 0.00 57.16 57.24 3f93 n GLU 223 Cb 0.46 -2.23 -0.06 0.00 -0.57 0.00 0.00 31.44 29.05 3f93 n GLU 223 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3f93 n ARG 224 N 1.89 -1.59 -2.26 3.49 1.74 -1.26 -2.55 116.66 116.11 3f93 n ARG 224 Ca 0.12 0.90 -0.18 0.00 -0.77 0.00 0.00 57.85 57.93 3f93 n ARG 224 Cb 0.30 -5.23 -0.01 0.00 -1.02 0.00 0.00 32.46 26.49 3f93 n ARG 224 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f93 n GLY 225 N 0.03 -0.17 3.69 -0.13 0.00 -0.31 -4.71 105.19 103.60 3f93 n GLY 225 Ca -0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3f93 n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f93 s VAL 226 N -2.86 4.48 0.17 1.61 1.01 -1.06 -2.95 120.40 120.79 3f93 s VAL 226 Ca 0.00 1.78 -0.32 0.00 0.00 0.00 0.00 61.98 63.44 3f93 s VAL 226 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 3f93 s VAL 226 CO 0.00 0.03 1.57 -0.62 0.00 0.00 0.00 175.10 176.08 3f93 s ASP 227 N 1.26 6.58 -1.49 3.32 2.15 -1.26 -0.90 116.67 126.32 3f93 s ASP 227 Ca 0.53 2.63 0.00 0.00 0.43 0.00 0.00 52.55 56.14 3f93 s ASP 227 Cb -0.23 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 3f93 s ASP 227 CO 0.22 -0.83 0.00 0.54 -0.17 0.00 0.00 175.17 174.93 3f93 n ARG 228 N 3.97 -1.14 0.00 4.34 1.74 -1.26 -4.91 116.66 119.40 3f93 n ARG 228 Ca 0.14 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 3f93 n ARG 228 Cb 0.38 -5.16 0.00 0.00 -1.02 0.00 0.00 32.46 26.67 3f93 n ARG 228 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f93 n GLY 229 N -1.05 -0.87 3.26 -0.13 0.00 -0.08 -4.39 105.19 101.94 3f93 n GLY 229 Ca -0.17 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 3f93 n GLY 229 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f93 s ASN 230 N -1.07 4.47 -0.32 1.61 2.47 -1.26 -0.40 114.94 120.44 3f93 s ASN 230 Ca 0.00 -0.69 -0.25 0.00 0.42 0.00 0.00 52.86 52.35 3f93 s ASN 230 Cb 0.00 -1.73 0.01 0.00 -1.45 0.00 0.00 41.25 38.07 3f93 s ASN 230 CO 0.00 -0.11 0.86 -0.89 -3.72 0.00 0.00 177.10 173.24 3f93 s THR 231 N 1.41 4.72 -0.73 -5.21 2.01 0.02 -1.29 115.64 116.56 3f93 s THR 231 Ca 0.03 1.26 -0.13 0.00 0.31 0.00 0.00 61.69 63.16 3f93 s THR 231 Cb -0.16 -4.22 0.19 0.00 0.01 0.00 0.00 72.50 68.32 3f93 s THR 231 CO -0.03 -0.34 0.65 -0.76 -0.69 0.00 0.00 174.62 173.46 3f93 s LEU 232 N 3.15 6.41 -0.05 4.42 1.43 -1.26 -1.52 118.68 131.25 3f93 s LEU 232 Ca 0.35 -2.51 -0.21 0.00 -1.03 0.00 0.00 54.13 50.74 3f93 s LEU 232 Cb -0.13 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 43.98 3f93 s LEU 232 CO 0.14 -0.60 0.46 -0.51 0.23 0.00 0.00 176.35 176.07 3f93 s ILE 233 N 0.45 0.03 0.72 -0.59 2.07 -1.26 -5.03 121.20 117.60 3f93 s ILE 233 Ca 0.14 -0.24 -0.11 0.00 -1.41 0.00 0.00 60.65 59.03 3f93 s ILE 233 Cb -0.16 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.70 3f93 s ILE 233 CO -0.06 -0.13 1.07 1.51 -1.91 0.00 0.00 174.94 175.42 3f93 s ASP 234 N -1.04 5.12 0.26 4.50 3.84 -1.26 -4.79 116.67 123.30 3f93 s ASP 234 Ca -0.11 1.56 -0.04 0.00 -0.00 0.00 0.00 52.55 53.97 3f93 s ASP 234 Cb -0.03 -2.40 0.35 0.00 -1.38 0.00 0.00 42.92 39.47 3f93 s ASP 234 CO 0.06 -1.61 1.91 -0.08 -0.00 0.00 0.00 175.17 175.45 3f93 h GLU 235 N -0.83 1.22 -0.44 2.11 4.81 -2.01 -1.26 114.58 118.17 3f93 h GLU 235 Ca -0.45 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3f93 h GLU 235 Cb 1.22 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3f93 h GLU 235 CO 0.57 0.80 0.24 -0.22 -0.73 0.00 0.00 179.01 179.68 3f93 h LYS 236 N 1.25 0.59 -0.17 1.92 3.64 -1.99 0.16 116.57 121.98 3f93 h LYS 236 Ca 0.40 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.57 3f93 h LYS 236 Cb 0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3f93 h LYS 236 CO -0.13 0.43 -0.56 0.78 -2.27 0.00 0.00 179.45 177.71 3f93 h GLY 237 N 0.67 0.56 1.50 5.01 0.00 -1.63 0.54 103.07 109.72 3f93 h GLY 237 Ca 0.16 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 3f93 h GLY 237 CO -0.03 0.59 -0.21 -2.00 0.00 0.00 0.00 176.54 174.90 3f93 h LEU 238 N 0.39 0.58 0.04 3.11 5.85 -0.27 0.29 115.31 125.31 3f93 h LEU 238 Ca 0.00 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3f93 h LEU 238 Cb 1.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3f93 h LEU 238 CO 0.10 0.79 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.88 3f93 h ARG 239 N 0.52 -0.06 0.00 1.25 2.43 -0.96 -2.62 114.38 114.95 3f93 h ARG 239 Ca 0.08 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 3f93 h ARG 239 Cb 0.64 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3f93 h ARG 239 CO 0.05 0.51 -0.83 -0.44 -1.51 0.00 0.00 179.97 177.75 3f93 h ASP 240 N -0.68 0.00 0.00 -3.80 3.32 -0.70 -3.17 116.42 111.39 3f93 h ASP 240 Ca -0.01 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.69 3f93 h ASP 240 Cb 0.59 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 3f93 h ASP 240 CO 0.01 0.77 -2.29 -0.38 -1.72 0.00 0.00 179.24 175.63 3f93 n ILE 241 N -3.27 1.29 0.99 0.35 5.41 0.08 -4.75 119.36 119.46 3f93 n ILE 241 Ca -0.00 -0.46 0.10 0.00 1.00 0.00 0.00 62.75 63.39 3f93 n ILE 241 Cb 0.85 -1.41 -0.12 0.00 -0.71 0.00 0.00 39.64 38.26 3f93 n ILE 241 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3f93 n HIS 242 N -3.35 0.00 0.62 1.39 8.25 -1.07 -4.50 115.22 116.56 3f93 n HIS 242 Ca -0.41 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.12 3f93 n HIS 242 Cb 0.90 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.01 3f93 n HIS 242 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3f93 n SER 243 N -1.49 1.45 -0.25 0.41 7.64 -1.01 -4.55 113.62 115.82 3f93 n SER 243 Ca 0.04 -1.22 0.04 0.00 1.01 0.00 0.00 58.87 58.74 3f93 n SER 243 Cb 0.33 0.49 0.17 0.00 -1.01 0.00 0.00 64.21 64.20 3f93 n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f93 h ALA 244 N 2.41 1.01 -0.32 -0.43 0.00 -1.79 0.39 119.26 120.53 3f93 h ALA 244 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3f93 h ALA 244 Cb 0.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3f93 h ALA 244 CO 0.00 -0.20 0.22 0.78 0.00 0.00 0.00 179.25 180.05 3f93 h GLY 245 N 0.44 0.30 1.76 0.00 0.00 -1.81 -1.21 103.07 102.56 3f93 h GLY 245 Ca 0.39 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.45 3f93 h GLY 245 CO -0.38 0.09 -0.74 -0.97 0.00 0.00 0.00 176.54 174.53 3f93 h TYR 246 N 0.26 0.31 -0.94 5.60 0.05 -1.25 -0.30 116.97 120.70 3f93 h TYR 246 Ca 0.14 -0.15 0.15 0.00 0.05 0.00 0.00 58.73 58.92 3f93 h TYR 246 Cb 0.23 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.84 3f93 h TYR 246 CO -0.00 0.89 0.60 0.74 -1.05 0.00 0.00 178.16 179.34 3f93 h PHE 247 N 0.15 0.93 0.01 4.88 0.04 -0.90 0.07 116.94 122.11 3f93 h PHE 247 Ca -0.03 0.03 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 3f93 h PHE 247 Cb 1.31 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 39.11 3f93 h PHE 247 CO 0.03 0.33 -2.28 -1.13 -0.60 0.00 0.00 178.31 174.66 3f93 n SER 248 N -4.60 0.84 0.11 2.17 3.41 -1.17 -2.98 113.62 111.39 3f93 n SER 248 Ca 0.19 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 3f93 n SER 248 Cb 0.46 0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 3f93 n SER 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f93 h ALA 249 N 0.66 -0.35 -0.45 7.33 0.00 -0.95 -0.20 119.26 125.30 3f93 h ALA 249 Ca -0.51 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 3f93 h ALA 249 Cb 2.10 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 3f93 h ALA 249 CO 0.01 -0.73 -0.28 0.82 0.00 0.00 0.00 179.25 179.07 3f93 h ILE 250 N -0.39 1.27 -0.94 0.00 2.04 -1.17 -0.85 117.51 117.47 3f93 h ILE 250 Ca 0.03 -1.45 0.10 0.00 1.00 0.00 0.00 64.86 64.53 3f93 h ILE 250 Cb 0.41 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 3f93 h ILE 250 CO -0.11 0.50 0.58 -1.13 0.00 0.00 0.00 178.15 177.99 3f93 h ASN 251 N 0.83 0.88 -0.18 1.72 -1.24 -1.48 -0.48 115.58 115.63 3f93 h ASN 251 Ca 0.09 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3f93 h ASN 251 Cb 0.87 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.77 3f93 h ASN 251 CO 0.08 0.51 0.00 0.00 -1.29 0.00 0.00 177.43 176.72 3f93 n GLN 252 N -4.63 2.13 -2.37 6.67 1.13 -0.09 -4.33 117.38 115.89 3f93 n GLN 252 Ca 0.16 -0.94 -0.11 0.00 -1.94 0.00 0.00 57.00 54.18 3f93 n GLN 252 Cb 0.28 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.94 3f93 n GLN 252 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f93 n GLY 253 N 0.23 -0.01 3.70 1.08 0.00 -0.19 -4.70 105.19 105.31 3f93 n GLY 253 Ca 0.08 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 3f93 n GLY 253 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3f93 n VAL 254 N -3.96 0.50 0.16 1.61 3.14 -0.35 -4.88 118.33 114.55 3f93 n VAL 254 Ca -0.10 -0.13 0.04 0.00 -2.96 0.00 0.00 64.34 61.19 3f93 n VAL 254 Cb 0.58 -1.73 0.17 0.00 -1.06 0.00 0.00 33.84 31.80 3f93 n VAL 254 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3f93 h GLN 255 N 5.38 0.00 -3.65 1.45 1.08 -1.91 -3.42 115.11 114.04 3f93 h GLN 255 Ca -0.45 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.56 3f93 h GLN 255 Cb 1.24 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.42 3f93 h GLN 255 CO 0.85 0.46 -0.63 0.45 -0.95 0.00 0.00 178.83 179.01 3f93 s SER 256 N -6.44 0.02 -0.05 1.46 0.15 -0.79 -2.10 113.70 105.94 3f93 s SER 256 Ca 0.02 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.64 3f93 s SER 256 Cb 0.09 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 3f93 s SER 256 CO 0.72 -0.15 -0.16 -0.69 1.20 0.00 0.00 173.24 174.16 3f93 s VAL 257 N -0.56 1.36 -0.20 4.45 1.01 -0.77 -0.92 120.40 124.76 3f93 s VAL 257 Ca -0.06 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3f93 s VAL 257 Cb -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3f93 s VAL 257 CO 0.00 0.40 0.10 -0.32 0.00 0.00 0.00 175.10 175.28 3f93 s MET 258 N 0.20 4.03 0.78 2.72 1.75 -0.89 -0.99 119.30 126.90 3f93 s MET 258 Ca -0.07 -0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 53.96 3f93 s MET 258 Cb -0.13 -3.34 0.06 0.00 2.84 0.00 0.00 34.83 34.26 3f93 s MET 258 CO 0.03 0.20 1.09 0.00 -0.65 0.00 0.00 175.02 175.69 3f93 s ALA 259 N 0.59 2.21 0.09 4.11 0.00 -0.42 0.35 121.76 128.69 3f93 s ALA 259 Ca 0.05 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.27 3f93 s ALA 259 Cb -0.12 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3f93 s ALA 259 CO 0.01 -1.79 0.02 -1.54 0.00 0.00 0.00 175.76 172.46 3f93 s SER 260 N -3.44 5.18 0.33 0.00 1.04 -0.03 -4.15 113.70 112.63 3f93 s SER 260 Ca 0.61 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.99 3f93 s SER 260 Cb -0.17 -1.28 0.58 0.00 0.10 0.00 0.00 66.02 65.24 3f93 s SER 260 CO 0.56 0.17 1.79 -0.26 0.98 0.00 0.00 173.24 176.48 3f93 h PHE 261 N 3.40 0.29 -4.17 5.02 0.04 -1.95 -3.38 116.94 116.20 3f93 h PHE 261 Ca -0.47 -0.06 -0.50 0.00 2.80 0.00 0.00 57.97 59.74 3f93 h PHE 261 Cb 1.16 -0.07 0.14 0.00 2.20 0.00 0.00 35.95 39.38 3f93 h PHE 261 CO 0.61 0.53 0.27 0.54 -0.60 0.00 0.00 178.31 179.66 3f93 s ASN 262 N -6.87 3.84 0.35 2.17 2.20 -1.26 -4.72 114.94 110.65 3f93 s ASN 262 Ca -0.05 1.64 -0.02 0.00 -0.94 0.00 0.00 52.86 53.49 3f93 s ASN 262 Cb 0.14 -2.32 -0.04 0.00 -2.00 0.00 0.00 41.25 37.04 3f93 s ASN 262 CO 0.76 -2.43 0.58 -0.44 -2.94 0.00 0.00 177.10 172.63 3f93 s SER 263 N -3.39 6.34 -0.20 3.54 0.01 0.46 -2.42 113.70 118.03 3f93 s SER 263 Ca 0.63 0.60 0.01 0.00 1.31 0.00 0.00 55.95 58.49 3f93 s SER 263 Cb -0.18 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 63.98 3f93 s SER 263 CO 0.57 -0.30 -0.16 0.86 0.41 0.00 0.00 173.24 174.61 3f93 s TRP 264 N -2.30 2.91 -1.52 2.43 -0.00 -0.05 -0.80 118.94 119.60 3f93 s TRP 264 Ca 0.42 -1.73 -0.06 0.00 -0.00 0.00 0.00 56.10 54.74 3f93 s TRP 264 Cb -0.10 -1.95 0.05 0.00 -0.00 0.00 0.00 33.47 31.47 3f93 s TRP 264 CO 0.35 -0.80 0.47 0.09 -0.00 0.00 0.00 176.95 177.06 3f93 n ASN 265 N 4.60 -1.03 0.00 5.86 3.02 -0.58 -1.78 115.26 125.35 3f93 n ASN 265 Ca -0.19 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 3f93 n ASN 265 Cb 0.48 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 3f93 n ASN 265 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f93 n GLY 266 N -1.89 0.78 3.05 7.41 0.00 -1.26 -4.91 105.19 108.37 3f93 n GLY 266 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3f93 n GLY 266 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f93 s LYS 267 N -0.43 2.47 -0.19 1.61 2.20 -0.73 -5.01 119.74 119.65 3f93 s LYS 267 Ca 0.00 -0.69 -0.41 0.00 -0.36 0.00 0.00 55.97 54.51 3f93 s LYS 267 Cb 0.00 -2.30 -0.18 0.00 -1.51 0.00 0.00 37.83 33.85 3f93 s LYS 267 CO 0.00 -0.26 1.50 0.54 -0.36 0.00 0.00 175.35 176.77 3f93 n ARG 268 N 4.71 0.71 0.08 4.03 5.12 -1.26 -0.87 116.66 129.18 3f93 n ARG 268 Ca -0.18 0.26 0.02 0.00 -1.93 0.00 0.00 57.85 56.02 3f93 n ARG 268 Cb 0.49 -1.86 0.39 0.00 -1.16 0.00 0.00 32.46 30.33 3f93 n ARG 268 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3f93 h VAL 269 N 4.33 1.16 0.00 1.55 2.07 -1.69 -2.25 116.25 121.41 3f93 h VAL 269 Ca -0.47 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3f93 h VAL 269 Cb 1.35 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3f93 h VAL 269 CO 0.87 0.21 0.00 0.45 0.02 0.00 0.00 177.57 179.12 3f93 h HIS 270 N 0.32 0.00 -0.21 1.57 3.86 -1.83 -2.27 115.15 116.59 3f93 h HIS 270 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3f93 h HIS 270 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3f93 h HIS 270 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 3f93 n GLY 271 N -0.76 3.19 3.29 2.45 0.00 -0.85 -4.12 105.19 108.38 3f93 n GLY 271 Ca -0.01 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 3f93 n GLY 271 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f93 s ASP 272 N -1.29 6.01 0.26 1.61 -1.08 -0.86 -4.83 116.67 116.49 3f93 s ASP 272 Ca 0.20 -1.77 -0.05 0.00 -0.52 0.00 0.00 52.55 50.41 3f93 s ASP 272 Cb 0.13 -2.14 0.31 0.00 -1.46 0.00 0.00 42.92 39.76 3f93 s ASP 272 CO 0.09 -0.77 1.90 0.50 0.52 0.00 0.00 175.17 177.41 3f93 h LYS 273 N 8.72 1.19 -1.00 4.34 3.64 -1.88 -2.40 116.57 129.19 3f93 h LYS 273 Ca -0.27 -0.11 0.13 0.00 -1.27 0.00 0.00 60.65 59.13 3f93 h LYS 273 Cb 1.09 -0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.58 3f93 h LYS 273 CO 0.96 0.84 0.63 1.25 -2.27 0.00 0.00 179.45 180.86 3f93 h HIS 274 N 1.21 1.12 0.01 1.91 2.76 -1.92 -0.65 115.15 119.60 3f93 h HIS 274 Ca 0.31 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 3f93 h HIS 274 Cb -0.04 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.57 3f93 h HIS 274 CO 0.01 0.42 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.98 3f93 h LEU 275 N 0.96 -0.02 -0.89 0.26 3.38 -1.81 -0.51 115.31 116.67 3f93 h LEU 275 Ca 0.50 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3f93 h LEU 275 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3f93 h LEU 275 CO -0.27 0.69 -0.24 -0.07 0.09 0.00 0.00 178.44 178.64 3f93 h LEU 276 N -0.99 0.00 0.00 1.67 3.38 -1.47 -0.96 115.31 116.95 3f93 h LEU 276 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f93 h LEU 276 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3f93 h LEU 276 CO 0.00 0.24 -0.22 0.41 0.09 0.00 0.00 178.44 178.96 3f93 n THR 277 N -3.33 0.96 -0.03 0.22 -1.04 -0.28 -3.71 114.28 107.07 3f93 n THR 277 Ca 0.01 0.28 -0.04 0.00 -2.04 0.00 0.00 64.05 62.25 3f93 n THR 277 Cb 0.48 -1.64 0.18 0.00 -1.82 0.00 0.00 70.33 67.53 3f93 n THR 277 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3f93 h ASP 278 N -0.22 0.59 0.00 8.00 3.58 -1.21 0.23 116.42 127.40 3f93 h ASP 278 Ca 0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 3f93 h ASP 278 Cb 0.22 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3f93 h ASP 278 CO 0.00 0.79 -0.25 0.58 -2.88 0.00 0.00 179.24 177.48 3f93 h VAL 279 N 0.54 0.00 -0.01 2.25 2.07 -1.15 -0.28 116.25 119.66 3f93 h VAL 279 Ca 0.09 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3f93 h VAL 279 Cb 0.62 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3f93 h VAL 279 CO 0.04 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.89 3f93 h LEU 280 N -0.94 0.02 0.05 2.57 5.85 -1.23 0.11 115.31 121.74 3f93 h LEU 280 Ca 0.00 -0.26 -0.32 0.00 0.84 0.00 0.00 57.88 58.14 3f93 h LEU 280 Cb 0.25 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3f93 h LEU 280 CO 0.00 0.28 -1.84 0.29 -0.34 0.00 0.00 178.44 176.83 3f93 n LYS 281 N -4.95 0.68 -0.02 1.25 5.02 -0.62 -2.08 118.16 117.44 3f93 n LYS 281 Ca -0.08 0.28 -0.01 0.00 -2.02 0.00 0.00 58.31 56.48 3f93 n LYS 281 Cb 0.15 -1.75 -0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3f93 n LYS 281 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3f93 h ASN 282 N 0.03 0.00 -0.02 4.39 2.35 -0.59 -3.20 115.58 118.54 3f93 h ASN 282 Ca -0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 3f93 h ASN 282 Cb 2.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.40 3f93 h ASN 282 CO 0.08 0.25 -0.05 1.56 -1.65 0.00 0.00 177.43 177.62 3f93 h GLN 283 N -0.39 0.07 -0.12 0.81 4.20 -0.82 -3.19 115.11 115.68 3f93 h GLN 283 Ca 0.00 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 3f93 h GLN 283 Cb 0.12 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3f93 h GLN 283 CO 0.00 0.64 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.26 3f93 h LEU 284 N -0.49 0.31 0.00 1.46 3.38 -0.89 -3.18 115.31 115.90 3f93 h LEU 284 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3f93 h LEU 284 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3f93 h LEU 284 CO 0.01 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.89 3f93 n GLY 285 N -0.01 0.78 3.62 0.83 0.00 -1.12 -1.09 105.19 108.20 3f93 n GLY 285 Ca -0.02 -0.10 -0.58 0.00 0.00 0.00 0.00 46.02 45.32 3f93 n GLY 285 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3f93 n PHE 286 N -2.41 1.85 0.99 1.61 7.35 -0.88 -4.66 117.46 121.32 3f93 n PHE 286 Ca 0.00 0.60 0.11 0.00 -0.76 0.00 0.00 57.45 57.40 3f93 n PHE 286 Cb 0.00 -2.42 -0.02 0.00 0.35 0.00 0.00 39.48 37.39 3f93 n PHE 286 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3f93 n ASP 287 N 6.18 1.91 -2.41 -2.13 2.03 -1.26 -4.53 116.55 116.34 3f93 n ASP 287 Ca 0.33 -1.45 0.00 0.00 0.52 0.00 0.00 54.79 54.18 3f93 n ASP 287 Cb 0.10 0.54 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 3f93 n ASP 287 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f93 n GLY 288 N 1.43 -0.03 3.61 0.27 0.00 -1.26 -4.78 105.19 104.42 3f93 n GLY 288 Ca 0.09 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 3f93 n GLY 288 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f93 s PHE 289 N 0.42 2.73 -0.19 1.61 -0.12 -0.89 -4.82 117.98 116.72 3f93 s PHE 289 Ca 0.00 -0.18 -0.08 0.00 -0.05 0.00 0.00 56.93 56.62 3f93 s PHE 289 Cb 0.00 -1.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.01 3f93 s PHE 289 CO 0.00 0.51 0.08 0.08 -0.05 0.00 0.00 175.22 175.84 3f93 s VAL 290 N -1.66 4.91 -0.07 -2.49 1.01 -1.26 -1.85 120.40 118.99 3f93 s VAL 290 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3f93 s VAL 290 Cb -0.09 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3f93 s VAL 290 CO 0.16 0.44 -0.04 0.54 0.00 0.00 0.00 175.10 176.21 3f93 s VAL 291 N 0.48 3.98 0.55 2.92 0.11 -0.16 0.55 120.40 128.83 3f93 s VAL 291 Ca 0.04 -0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.55 3f93 s VAL 291 Cb -0.12 -2.66 -0.06 0.00 -1.53 0.00 0.00 36.38 32.01 3f93 s VAL 291 CO 0.00 0.58 0.98 -0.94 -3.33 0.00 0.00 175.10 172.39 3f93 s SER 292 N -0.92 6.42 0.79 3.54 1.04 -0.38 -1.30 113.70 122.88 3f93 s SER 292 Ca 0.13 1.43 -0.07 0.00 0.48 0.00 0.00 55.95 57.93 3f93 s SER 292 Cb -0.11 -2.46 0.13 0.00 0.10 0.00 0.00 66.02 63.68 3f93 s SER 292 CO 0.03 -0.70 1.09 -0.62 0.98 0.00 0.00 173.24 174.02 3f93 s ASP 293 N -3.64 4.10 -0.17 7.02 -1.08 -1.26 -4.03 116.67 117.61 3f93 s ASP 293 Ca 0.56 0.03 -0.28 0.00 -0.52 0.00 0.00 52.55 52.33 3f93 s ASP 293 Cb -0.10 -0.38 -0.06 0.00 -1.46 0.00 0.00 42.92 40.92 3f93 s ASP 293 CO 0.42 -2.05 2.15 0.86 0.52 0.00 0.00 175.17 177.07 3f93 s TRP 294 N -3.39 1.21 -1.17 -5.34 -0.11 -1.26 -1.30 118.94 107.58 3f93 s TRP 294 Ca 0.67 0.33 0.00 0.00 1.22 0.00 0.00 56.10 58.32 3f93 s TRP 294 Cb -0.06 -4.00 0.00 0.00 -1.50 0.00 0.00 33.47 27.91 3f93 s TRP 294 CO 0.47 -4.36 0.00 0.09 -4.62 0.00 0.00 176.95 168.53 3f93 n ASN 295 N 10.77 -3.17 0.08 5.86 5.03 -1.01 -4.84 115.26 127.98 3f93 n ASN 295 Ca 0.27 0.27 0.18 0.00 0.87 0.00 0.00 54.58 56.17 3f93 n ASN 295 Cb 0.44 -2.93 0.70 0.00 -1.02 0.00 0.00 39.78 36.97 3f93 n ASN 295 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f93 h ALA 296 N 0.79 2.29 0.00 5.41 0.00 -1.43 -1.79 119.26 124.53 3f93 h ALA 296 Ca -0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3f93 h ALA 296 Cb 0.76 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3f93 h ALA 296 CO 0.33 -0.48 -0.07 1.12 0.00 0.00 0.00 179.25 180.15 3f93 h HIS 297 N 0.00 0.00 0.00 0.00 2.07 -1.88 -2.99 115.15 112.34 3f93 h HIS 297 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 3f93 h HIS 297 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 3f93 h HIS 297 CO 0.00 0.07 0.00 1.57 -3.07 0.00 0.00 177.93 176.50 3f93 h LYS 298 N 0.00 0.00 0.00 5.12 2.10 -1.49 -2.78 116.57 119.51 3f93 h LYS 298 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3f93 h LYS 298 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3f93 h LYS 298 CO 0.01 0.00 -0.46 1.19 -2.00 0.00 0.00 179.45 178.18 3f93 n PHE 299 N -3.05 0.18 -2.91 0.07 3.72 -1.13 -4.38 117.46 109.95 3f93 n PHE 299 Ca -0.00 0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 3f93 n PHE 299 Cb 0.24 -0.42 -0.06 0.00 -0.94 0.00 0.00 39.48 38.31 3f93 n PHE 299 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3f93 s VAL 300 N -3.05 4.29 -0.51 -4.37 -7.23 -1.05 -4.72 120.40 103.75 3f93 s VAL 300 Ca 0.10 1.79 -0.42 0.00 -1.81 0.00 0.00 61.98 61.63 3f93 s VAL 300 Cb 0.16 -4.16 -0.18 0.00 0.56 0.00 0.00 36.38 32.76 3f93 s VAL 300 CO 0.68 0.47 2.17 -1.84 -0.31 0.00 0.00 175.10 176.27 3f93 n GLU 301 N 1.42 0.12 -0.16 4.82 0.00 -1.26 -0.58 120.64 125.00 3f93 n GLU 301 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3f93 n GLU 301 Cb 0.48 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.31 3f93 n GLU 301 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3f93 n GLY 302 N 7.35 0.59 3.81 -1.84 0.00 -1.26 -4.95 105.19 108.88 3f93 n GLY 302 Ca 0.54 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 3f93 n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 n ASP 304 N -0.54 1.26 0.11 0.00 5.68 -0.70 -4.69 116.55 117.67 3f93 n ASP 304 Ca -0.08 -2.37 0.16 0.00 -0.50 0.00 0.00 54.79 52.00 3f93 n ASP 304 Cb 0.55 0.62 0.70 0.00 -1.14 0.00 0.00 41.12 41.85 3f93 n ASP 304 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3f93 h LEU 305 N 0.00 0.00 -2.93 -2.12 3.38 -1.91 -2.86 115.31 108.87 3f93 h LEU 305 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3f93 h LEU 305 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3f93 h LEU 305 CO 0.33 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 3f93 n GLU 306 N -4.30 2.92 -3.64 1.13 1.02 -1.26 -4.82 120.64 111.69 3f93 n GLU 306 Ca 0.05 -2.27 -0.01 0.00 -0.02 0.00 0.00 57.16 54.91 3f93 n GLU 306 Cb 0.42 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3f93 n GLU 306 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3f93 s GLN 307 N -1.26 0.29 -0.49 3.49 -0.44 -1.08 -3.45 119.66 116.71 3f93 s GLN 307 Ca 0.30 0.50 0.07 0.00 -2.50 0.00 0.00 55.36 53.73 3f93 s GLN 307 Cb 0.17 0.06 0.19 0.00 -1.64 0.00 0.00 33.01 31.80 3f93 s GLN 307 CO 0.18 -0.06 0.67 0.00 0.50 0.00 0.00 175.29 176.58 3f93 h ALA 309 N 5.33 1.46 -0.78 0.00 0.00 -1.96 -3.12 119.26 120.19 3f93 h ALA 309 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3f93 h ALA 309 Cb 1.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3f93 h ALA 309 CO 0.06 0.41 0.41 0.37 0.00 0.00 0.00 179.25 180.50 3f93 h GLN 310 N 0.61 1.10 -0.35 0.00 5.75 -1.94 0.16 115.11 120.43 3f93 h GLN 310 Ca 0.15 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3f93 h GLN 310 Cb 0.17 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3f93 h GLN 310 CO -0.01 0.82 0.00 0.00 -2.65 0.00 0.00 178.83 177.00 3f93 h ALA 311 N 1.21 0.47 -0.16 3.38 0.00 -1.70 -0.72 119.26 121.75 3f93 h ALA 311 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3f93 h ALA 311 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3f93 h ALA 311 CO -0.04 0.23 0.08 0.82 0.00 0.00 0.00 179.25 180.34 3f93 h ILE 312 N 0.43 1.12 0.00 0.00 2.04 -1.41 -1.63 117.51 118.05 3f93 h ILE 312 Ca 0.10 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3f93 h ILE 312 Cb 0.45 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3f93 h ILE 312 CO 0.02 0.11 0.00 0.78 0.00 0.00 0.00 178.15 179.06 3f93 h ASN 313 N 0.13 0.00 1.05 1.72 2.35 -0.65 -2.68 115.58 117.50 3f93 h ASN 313 Ca 0.06 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3f93 h ASN 313 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3f93 h ASN 313 CO -0.01 0.00 -0.98 0.00 -1.65 0.00 0.00 177.43 174.79 3f93 h ALA 314 N 2.05 0.61 0.00 -0.83 0.00 -0.69 -3.46 119.26 116.94 3f93 h ALA 314 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3f93 h ALA 314 Cb 0.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f93 h ALA 314 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3f93 n GLY 315 N 1.24 -0.93 3.75 0.00 0.00 -0.98 -3.34 105.19 104.93 3f93 n GLY 315 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3f93 n GLY 315 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f93 s VAL 316 N -0.07 2.85 -0.12 1.61 1.01 -0.65 -4.49 120.40 120.54 3f93 s VAL 316 Ca 0.00 0.74 0.12 0.00 0.00 0.00 0.00 61.98 62.83 3f93 s VAL 316 Cb 0.00 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.75 3f93 s VAL 316 CO 0.00 0.13 0.05 0.47 0.00 0.00 0.00 175.10 175.75 3f93 n ASP 317 N 2.13 1.79 -3.74 3.32 8.00 0.19 -4.54 116.55 123.70 3f93 n ASP 317 Ca 0.05 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 3f93 n ASP 317 Cb 0.41 0.85 -0.17 0.00 -0.02 0.00 0.00 41.12 42.19 3f93 n ASP 317 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3f93 s VAL 318 N -2.34 -0.03 -0.36 2.53 0.11 0.17 -4.52 120.40 115.96 3f93 s VAL 318 Ca -0.06 0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 59.08 3f93 s VAL 318 Cb 0.04 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.74 3f93 s VAL 318 CO 0.53 0.14 0.56 -0.63 -3.33 0.00 0.00 175.10 172.37 3f93 s ILE 319 N 1.53 4.96 -0.93 7.04 -1.09 0.19 -1.25 121.20 131.64 3f93 s ILE 319 Ca -0.03 0.37 -0.24 0.00 -2.23 0.00 0.00 60.65 58.52 3f93 s ILE 319 Cb -0.13 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3f93 s ILE 319 CO -0.03 -0.29 1.83 -0.32 -1.23 0.00 0.00 174.94 174.90 3f93 s MET 320 N 2.52 2.79 -0.79 2.79 -2.45 -1.26 -1.77 119.30 121.14 3f93 s MET 320 Ca 0.21 -0.50 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 3f93 s MET 320 Cb -0.15 -5.13 0.23 0.00 1.25 0.00 0.00 34.83 31.02 3f93 s MET 320 CO 0.14 -3.12 0.78 0.28 1.05 0.00 0.00 175.02 174.16 3f93 n VAL 321 N 7.65 2.74 -0.03 10.11 0.31 -0.95 -2.42 118.33 135.75 3f93 n VAL 321 Ca 0.39 -5.18 0.09 0.00 -0.01 0.00 0.00 64.34 59.62 3f93 n VAL 321 Cb 0.48 -2.21 0.48 0.00 -0.91 0.00 0.00 33.84 31.68 3f93 n VAL 321 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3f93 h PRO 322 N 5.21 0.42 0.00 5.55 0.13 -1.88 -3.17 132.00 138.26 3f93 h PRO 322 Ca 0.18 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.16 3f93 h PRO 322 Cb 0.73 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3f93 h PRO 322 CO 0.87 0.28 -1.42 -1.91 -0.23 0.00 0.00 178.00 175.59 3f93 n GLU 323 N -4.48 0.17 -0.66 0.86 2.13 -1.26 -2.22 120.64 115.18 3f93 n GLU 323 Ca 0.06 0.06 -0.06 0.00 0.66 0.00 0.00 57.16 57.88 3f93 n GLU 323 Cb 0.23 -0.91 0.17 0.00 0.27 0.00 0.00 31.44 31.20 3f93 n GLU 323 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3f93 n HIS 324 N -3.10 1.61 0.02 4.31 8.25 -1.25 -4.61 115.22 120.45 3f93 n HIS 324 Ca -0.14 -0.93 0.18 0.00 -0.26 0.00 0.00 57.72 56.57 3f93 n HIS 324 Cb 0.62 -0.53 0.66 0.00 1.12 0.00 0.00 29.99 31.85 3f93 n HIS 324 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f93 h PHE 325 N 1.44 0.06 0.04 4.41 -0.00 -1.83 -1.50 116.94 119.56 3f93 h PHE 325 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.18 3f93 h PHE 325 Cb 1.81 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 37.75 3f93 h PHE 325 CO 0.84 0.03 -0.02 1.49 -0.00 0.00 0.00 178.31 180.65 3f93 h GLU 326 N 0.05 -0.05 -0.15 6.09 4.81 -1.90 0.13 114.58 123.55 3f93 h GLU 326 Ca 0.22 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3f93 h GLU 326 Cb 0.83 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3f93 h GLU 326 CO -0.01 0.49 -0.42 0.00 -0.73 0.00 0.00 179.01 178.33 3f93 h ALA 327 N 0.26 0.99 -0.21 2.92 0.00 -1.88 -2.15 119.26 119.19 3f93 h ALA 327 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.48 3f93 h ALA 327 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3f93 h ALA 327 CO 0.01 0.62 0.12 0.35 0.00 0.00 0.00 179.25 180.35 3f93 h PHE 328 N 0.30 0.23 -0.29 0.00 3.57 -1.24 -0.34 116.94 119.17 3f93 h PHE 328 Ca 0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3f93 h PHE 328 Cb 0.87 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 3f93 h PHE 328 CO 0.02 0.14 0.08 -0.92 -2.23 0.00 0.00 178.31 175.40 3f93 h TYR 329 N 0.26 0.14 -0.36 0.41 3.20 -0.60 -0.52 116.97 119.49 3f93 h TYR 329 Ca 0.08 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 3f93 h TYR 329 Cb -0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3f93 h TYR 329 CO -0.08 0.05 -0.30 0.45 -1.64 0.00 0.00 178.16 176.64 3f93 h HIS 330 N 0.20 0.92 -0.58 -3.82 3.86 -1.25 -1.49 115.15 112.98 3f93 h HIS 330 Ca 0.13 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 59.05 3f93 h HIS 330 Cb 0.12 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3f93 h HIS 330 CO -0.15 0.99 0.15 -0.91 0.86 0.00 0.00 177.93 178.87 3f93 h ASN 331 N 0.67 0.88 -0.70 2.45 -0.26 -0.88 -2.00 115.58 115.74 3f93 h ASN 331 Ca 0.08 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.53 3f93 h ASN 331 Cb 0.84 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 3f93 h ASN 331 CO 0.07 0.88 0.21 0.74 -1.06 0.00 0.00 177.43 178.27 3f93 h THR 332 N 0.84 1.26 -0.55 2.81 2.02 -0.83 -0.18 112.91 118.28 3f93 h THR 332 Ca 0.18 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3f93 h THR 332 Cb 0.34 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3f93 h THR 332 CO 0.00 0.35 0.25 0.58 0.37 0.00 0.00 175.52 177.07 3f93 h VAL 333 N 1.06 1.21 -0.68 3.16 2.07 -1.10 -0.86 116.25 121.11 3f93 h VAL 333 Ca 0.23 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3f93 h VAL 333 Cb 0.32 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3f93 h VAL 333 CO -0.01 0.24 0.26 0.11 0.02 0.00 0.00 177.57 178.20 3f93 h LYS 334 N 0.74 1.00 -0.39 1.57 1.57 -0.84 -2.42 116.57 117.79 3f93 h LYS 334 Ca 0.19 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3f93 h LYS 334 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3f93 h LYS 334 CO -0.02 0.82 -0.05 1.96 -0.57 0.00 0.00 179.45 181.59 3f93 h GLN 335 N 0.98 0.73 -0.69 3.15 4.20 -0.46 -0.41 115.11 122.61 3f93 h GLN 335 Ca 0.23 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3f93 h GLN 335 Cb 0.20 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3f93 h GLN 335 CO -0.02 0.84 0.41 0.28 -0.67 0.00 0.00 178.83 179.67 3f93 h VAL 336 N 0.54 1.02 -0.06 -0.54 2.07 -0.96 0.16 116.25 118.48 3f93 h VAL 336 Ca 0.10 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 3f93 h VAL 336 Cb 0.55 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3f93 h VAL 336 CO 0.03 0.14 -0.62 0.11 0.02 0.00 0.00 177.57 177.25 3f93 h LYS 337 N 0.77 0.23 0.00 1.57 1.57 -1.23 -2.46 116.57 117.01 3f93 h LYS 337 Ca 0.30 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3f93 h LYS 337 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3f93 h LYS 337 CO -0.15 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 3f93 h ALA 338 N 1.19 1.00 0.00 3.86 0.00 -0.55 -3.47 119.26 121.30 3f93 h ALA 338 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f93 h ALA 338 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3f93 h ALA 338 CO 0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3f93 n GLY 339 N 0.32 0.66 0.31 0.00 0.00 -0.41 -4.95 105.19 101.13 3f93 n GLY 339 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3f93 n GLY 339 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f93 h VAL 340 N 0.00 1.24 -3.35 1.61 2.07 -1.26 -3.38 116.25 113.18 3f93 h VAL 340 Ca 0.00 -0.85 -0.65 0.00 0.82 0.00 0.00 66.70 66.01 3f93 h VAL 340 Cb 0.00 0.60 -0.25 0.00 -1.52 0.00 0.00 31.29 30.11 3f93 h VAL 340 CO 0.00 0.32 -0.74 -0.63 0.02 0.00 0.00 177.57 176.55 3f93 s ILE 341 N -5.27 3.27 0.32 4.57 1.01 -1.08 -4.96 121.20 119.06 3f93 s ILE 341 Ca -0.11 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 3f93 s ILE 341 Cb 0.15 -2.39 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 3f93 s ILE 341 CO 0.82 0.52 1.31 0.00 0.00 0.00 0.00 174.94 177.59 3f93 s ALA 342 N 0.27 3.51 0.26 9.38 0.00 -1.26 -4.26 121.76 129.66 3f93 s ALA 342 Ca -0.08 1.25 0.25 0.00 0.00 0.00 0.00 51.96 53.38 3f93 s ALA 342 Cb -0.15 -3.48 1.11 0.00 0.00 0.00 0.00 23.12 20.59 3f93 s ALA 342 CO 0.05 -0.64 1.92 1.49 0.00 0.00 0.00 175.76 178.58 3f93 h GLU 343 N 3.56 0.00 0.00 0.00 4.81 -1.95 -2.36 114.58 118.65 3f93 h GLU 343 Ca -0.49 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.62 3f93 h GLU 343 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3f93 h GLU 343 CO 0.67 0.20 -0.58 0.66 -0.73 0.00 0.00 179.01 179.23 3f93 h SER 344 N 0.00 0.00 -0.16 1.04 4.64 -1.98 -0.67 113.55 116.42 3f93 h SER 344 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3f93 h SER 344 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3f93 h SER 344 CO 0.03 0.58 0.08 -0.09 -0.87 0.00 0.00 176.83 176.55 3f93 h ARG 345 N 0.00 0.22 -0.50 4.77 9.65 -1.82 0.11 114.38 126.83 3f93 h ARG 345 Ca -0.01 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3f93 h ARG 345 Cb 1.13 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 3f93 h ARG 345 CO 0.08 0.27 0.28 0.82 2.80 0.00 0.00 179.97 184.21 3f93 h ILE 346 N 0.13 1.01 -0.62 1.20 1.08 -1.27 0.31 117.51 119.34 3f93 h ILE 346 Ca 0.05 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 3f93 h ILE 346 Cb 0.11 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 3f93 h ILE 346 CO -0.01 0.10 0.36 0.78 -0.69 0.00 0.00 178.15 178.69 3f93 h ASN 347 N 0.54 0.76 -0.59 1.72 2.35 -0.93 -0.48 115.58 118.95 3f93 h ASN 347 Ca 0.21 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3f93 h ASN 347 Cb 0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3f93 h ASN 347 CO -0.12 0.61 0.07 -0.78 -1.65 0.00 0.00 177.43 175.57 3f93 h ASP 348 N 0.84 0.98 -0.35 5.81 3.58 -0.35 0.12 116.42 127.06 3f93 h ASP 348 Ca 0.22 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 3f93 h ASP 348 Cb 0.01 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3f93 h ASP 348 CO -0.04 1.00 0.10 0.00 -2.88 0.00 0.00 179.24 177.42 3f93 h ALA 349 N 1.11 0.45 -0.05 -0.78 0.00 -0.43 -1.87 119.26 117.69 3f93 h ALA 349 Ca 0.19 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3f93 h ALA 349 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3f93 h ALA 349 CO 0.02 0.10 -0.61 0.28 0.00 0.00 0.00 179.25 179.03 3f93 h VAL 350 N 0.41 1.40 0.07 0.00 2.07 -0.85 -2.56 116.25 116.79 3f93 h VAL 350 Ca 0.11 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.60 3f93 h VAL 350 Cb 0.26 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3f93 h VAL 350 CO -0.00 0.59 -0.04 0.03 0.02 0.00 0.00 177.57 178.18 3f93 h ARG 351 N 0.13 -0.09 -0.68 1.57 3.08 -0.52 -0.63 114.38 117.23 3f93 h ARG 351 Ca -0.01 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3f93 h ARG 351 Cb 1.11 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 3f93 h ARG 351 CO 0.09 -0.03 0.18 0.00 -1.07 0.00 0.00 179.97 179.14 3f93 h ARG 352 N -0.13 1.07 -0.02 0.04 3.08 -1.19 0.28 114.38 117.51 3f93 h ARG 352 Ca -0.01 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 3f93 h ARG 352 Cb 0.11 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.01 3f93 h ARG 352 CO 0.02 0.93 -0.48 0.35 -1.07 0.00 0.00 179.97 179.72 3f93 h PHE 353 N 1.02 0.53 -0.09 3.04 3.57 -1.50 -2.99 116.94 120.53 3f93 h PHE 353 Ca 0.22 -0.27 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 3f93 h PHE 353 Cb 0.33 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3f93 h PHE 353 CO 0.02 1.07 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.90 3f93 h LEU 354 N -0.16 0.14 -0.51 0.59 3.38 -1.02 -1.53 115.31 116.20 3f93 h LEU 354 Ca -0.05 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3f93 h LEU 354 Cb 1.18 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 3f93 h LEU 354 CO 0.10 0.35 0.13 -0.09 0.09 0.00 0.00 178.44 179.01 3f93 h ARG 355 N 0.14 0.26 0.54 1.13 2.43 -0.41 0.13 114.38 118.60 3f93 h ARG 355 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3f93 h ARG 355 Cb 0.43 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3f93 h ARG 355 CO 0.03 0.17 -0.26 0.00 -1.51 0.00 0.00 179.97 178.40 3f93 h ALA 356 N 1.38 -0.73 -0.41 2.80 0.00 -1.24 -2.22 119.26 118.85 3f93 h ALA 356 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3f93 h ALA 356 Cb 0.33 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3f93 h ALA 356 CO -0.31 -0.69 -0.45 0.87 0.00 0.00 0.00 179.25 178.67 3f93 h LYS 357 N -1.18 -0.33 0.10 0.00 1.57 -1.32 0.11 116.57 115.53 3f93 h LYS 357 Ca -0.07 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3f93 h LYS 357 Cb 0.58 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3f93 h LYS 357 CO 0.12 -0.22 -0.05 0.82 -0.57 0.00 0.00 179.45 179.56 3f93 h ILE 358 N -0.34 1.07 -0.41 1.86 2.04 -0.86 -1.99 117.51 118.88 3f93 h ILE 358 Ca 0.13 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.43 3f93 h ILE 358 Cb 0.59 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3f93 h ILE 358 CO -0.58 0.16 0.29 -0.09 0.00 0.00 0.00 178.15 177.93 3f93 h ARG 359 N -0.44 0.07 0.00 2.37 2.43 -1.29 0.24 114.38 117.76 3f93 h ARG 359 Ca -0.01 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3f93 h ARG 359 Cb 0.37 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3f93 h ARG 359 CO 0.02 0.05 -0.33 2.35 -1.51 0.00 0.00 179.97 180.55 3f93 h TRP 360 N 0.08 0.00 0.00 2.20 7.01 -0.06 -3.47 115.95 121.70 3f93 h TRP 360 Ca 0.19 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.19 3f93 h TRP 360 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 3f93 h TRP 360 CO -0.00 0.33 0.00 0.41 -2.79 0.00 0.00 178.44 176.39 3f93 n GLY 361 N -0.15 1.50 0.23 2.65 0.00 0.85 -4.83 105.19 105.44 3f93 n GLY 361 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3f93 n GLY 361 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3f93 n VAL 362 N -0.19 -0.28 0.65 1.61 3.14 -1.08 0.91 118.33 123.08 3f93 n VAL 362 Ca 0.00 1.46 0.12 0.00 -2.96 0.00 0.00 64.34 62.96 3f93 n VAL 362 Cb 0.00 -2.20 0.17 0.00 -1.06 0.00 0.00 33.84 30.75 3f93 n VAL 362 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3f93 n PHE 363 N -4.80 0.40 -0.09 1.45 3.72 -1.26 -4.31 117.46 112.57 3f93 n PHE 363 Ca 0.19 0.12 -0.22 0.00 -0.05 0.00 0.00 57.45 57.48 3f93 n PHE 363 Cb 0.63 -0.55 -0.12 0.00 -0.94 0.00 0.00 39.48 38.50 3f93 n PHE 363 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3f93 n THR 364 N -1.97 1.59 -2.26 4.37 -2.24 0.18 -4.95 114.28 109.01 3f93 n THR 364 Ca 0.03 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.99 3f93 n THR 364 Cb 0.42 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 3f93 n THR 364 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3f93 s LYS 365 N -2.50 3.37 0.00 -0.78 1.02 0.26 -5.06 119.74 116.05 3f93 s LYS 365 Ca -0.31 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.30 3f93 s LYS 365 Cb 0.09 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3f93 s LYS 365 CO 0.62 -0.84 0.00 -1.13 -0.92 0.00 0.00 175.35 173.09 3f93 n SER 366 N -1.26 0.00 -4.63 2.83 3.41 -1.26 -4.84 113.62 107.86 3f93 n SER 366 Ca 0.11 -0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 57.72 3f93 n SER 366 Cb 0.51 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3f93 n SER 366 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3f93 n LYS 367 N -0.61 1.23 -0.31 4.33 2.85 -1.26 -4.72 118.16 119.67 3f93 n LYS 367 Ca 0.00 0.45 0.16 0.00 -1.05 0.00 0.00 58.31 57.88 3f93 n LYS 367 Cb 0.00 -2.18 0.34 0.00 -0.65 0.00 0.00 35.03 32.55 3f93 n LYS 367 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3f93 h PRO 368 N 1.10 0.27 0.00 -1.58 0.11 -1.87 0.12 132.00 130.14 3f93 h PRO 368 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3f93 h PRO 368 Cb 1.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3f93 h PRO 368 CO 0.54 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.17 3f93 h SER 369 N 0.28 0.00 0.16 -2.05 4.64 -1.90 -3.05 113.55 111.63 3f93 h SER 369 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3f93 h SER 369 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3f93 h SER 369 CO -0.62 0.00 -0.74 0.00 -0.87 0.00 0.00 176.83 174.59 3f93 n ALA 370 N -1.96 4.16 -1.78 5.18 0.00 0.02 -4.84 120.51 121.30 3f93 n ALA 370 Ca 0.01 -0.52 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 3f93 n ALA 370 Cb 0.26 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 3f93 n ALA 370 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3f93 s ARG 371 N -2.90 3.74 0.26 0.00 0.52 -1.15 -4.90 118.95 114.51 3f93 s ARG 371 Ca 0.11 1.63 -0.02 0.00 -0.52 0.00 0.00 55.73 56.94 3f93 s ARG 371 Cb 0.17 -2.29 0.47 0.00 0.52 0.00 0.00 34.95 33.82 3f93 s ARG 371 CO 0.76 -0.54 1.83 -1.35 0.02 0.00 0.00 175.30 176.03 3f93 h PRO 372 N 1.85 0.91 0.00 3.54 0.11 -1.93 -0.31 132.00 136.18 3f93 h PRO 372 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3f93 h PRO 372 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3f93 h PRO 372 CO 0.60 0.60 0.00 -0.85 -0.21 0.00 0.00 178.00 178.14 3f93 n GLU 373 N -4.65 0.30 -0.03 1.05 0.00 -1.26 -2.15 120.64 113.90 3f93 n GLU 373 Ca 0.16 0.03 0.10 0.00 0.00 0.00 0.00 57.16 57.45 3f93 n GLU 373 Cb 0.30 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.34 3f93 n GLU 373 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3f93 n SER 374 N -1.05 2.71 -1.72 -1.84 7.64 -0.13 -3.99 113.62 115.24 3f93 n SER 374 Ca 0.07 -1.83 -0.08 0.00 1.01 0.00 0.00 58.87 58.05 3f93 n SER 374 Cb 0.04 -0.04 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 3f93 n SER 374 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f93 n GLN 375 N 1.11 2.90 -3.25 1.43 1.13 -0.91 -4.56 117.38 115.22 3f93 n GLN 375 Ca 0.12 -3.06 -0.25 0.00 -1.94 0.00 0.00 57.00 51.87 3f93 n GLN 375 Cb 0.49 -2.07 -0.08 0.00 0.11 0.00 0.00 30.24 28.69 3f93 n GLN 375 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3f93 n HIS 376 N -0.63 -0.15 0.26 1.08 8.25 -1.26 -4.95 115.22 117.82 3f93 n HIS 376 Ca 0.41 -3.57 0.10 0.00 -0.26 0.00 0.00 57.72 54.40 3f93 n HIS 376 Cb 1.31 -0.26 0.69 0.00 1.12 0.00 0.00 29.99 32.85 3f93 n HIS 376 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3f93 h PRO 377 N 4.31 0.00 -0.27 -0.41 0.13 -1.90 -1.42 132.00 132.44 3f93 h PRO 377 Ca 0.11 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.32 3f93 h PRO 377 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3f93 h PRO 377 CO 0.47 0.03 0.21 1.96 -0.23 0.00 0.00 178.00 180.45 3f93 h GLN 378 N 0.00 0.00 -0.76 0.86 7.50 -1.99 -2.21 115.11 118.50 3f93 h GLN 378 Ca -0.00 0.00 0.20 0.00 0.50 0.00 0.00 58.65 59.35 3f93 h GLN 378 Cb 0.07 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.56 3f93 h GLN 378 CO 0.00 0.00 0.53 -1.49 -1.50 0.00 0.00 178.83 176.38 3f93 h TRP 379 N 0.00 0.19 -3.70 2.96 6.55 -1.61 -2.76 115.95 117.59 3f93 h TRP 379 Ca 0.13 0.01 -0.56 0.00 0.95 0.00 0.00 58.89 59.41 3f93 h TRP 379 Cb 0.55 -0.06 -0.07 0.00 -0.86 0.00 0.00 29.16 28.72 3f93 h TRP 379 CO 0.00 0.06 0.93 -1.17 -1.05 0.00 0.00 178.44 177.21 3f93 s LEU 380 N -8.91 3.63 -0.83 -4.49 1.98 -0.83 -2.69 118.68 106.53 3f93 s LEU 380 Ca -0.06 0.44 0.00 0.00 -2.89 0.00 0.00 54.13 51.62 3f93 s LEU 380 Cb 0.21 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.53 3f93 s LEU 380 CO 0.76 -1.27 0.00 0.61 -1.89 0.00 0.00 176.35 174.56 3f93 n GLY 381 N 4.87 0.35 3.63 7.98 0.00 -1.26 -4.87 105.19 115.89 3f93 n GLY 381 Ca 0.12 -0.55 -0.48 0.00 0.00 0.00 0.00 46.02 45.11 3f93 n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 n ALA 382 N -0.59 0.20 -0.28 4.61 0.00 -1.04 -4.80 120.51 118.60 3f93 n ALA 382 Ca -0.10 0.47 0.10 0.00 0.00 0.00 0.00 53.44 53.91 3f93 n ALA 382 Cb 0.49 -2.20 0.25 0.00 0.00 0.00 0.00 19.45 18.00 3f93 n ALA 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f93 h ALA 383 N 4.82 1.24 -0.13 0.00 0.00 -1.93 0.56 119.26 123.81 3f93 h ALA 383 Ca -0.46 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3f93 h ALA 383 Cb 1.30 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3f93 h ALA 383 CO 0.80 -0.33 0.08 1.49 0.00 0.00 0.00 179.25 181.29 3f93 h GLU 384 N 0.35 0.17 -0.02 0.00 4.81 -1.97 0.79 114.58 118.72 3f93 h GLU 384 Ca 0.50 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.46 3f93 h GLU 384 Cb 0.91 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.27 3f93 h GLU 384 CO -0.52 0.12 -1.00 0.45 -0.73 0.00 0.00 179.01 177.33 3f93 h HIS 385 N 0.17 0.96 -0.16 0.92 3.86 -0.27 -2.53 115.15 118.11 3f93 h HIS 385 Ca 0.05 -0.51 -0.04 0.00 -1.16 0.00 0.00 60.37 58.71 3f93 h HIS 385 Cb -0.00 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3f93 h HIS 385 CO 0.00 1.34 -0.07 0.00 0.86 0.00 0.00 177.93 180.07 3f93 h ARG 386 N 0.38 0.23 -0.27 2.45 3.08 -0.32 0.25 114.38 120.18 3f93 h ARG 386 Ca -0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3f93 h ARG 386 Cb 1.64 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 3f93 h ARG 386 CO 0.19 0.32 0.05 1.15 -1.07 0.00 0.00 179.97 180.61 3f93 h THR 387 N 0.23 1.23 -0.51 2.04 2.02 -0.81 -1.00 112.91 116.10 3f93 h THR 387 Ca 0.05 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3f93 h THR 387 Cb 0.28 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3f93 h THR 387 CO 0.01 0.25 0.26 0.25 0.37 0.00 0.00 175.52 176.66 3f93 h LEU 388 N 0.25 0.66 -0.95 2.58 5.85 -1.00 -1.62 115.31 121.09 3f93 h LEU 388 Ca 0.08 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3f93 h LEU 388 Cb 0.32 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3f93 h LEU 388 CO 0.00 0.58 0.14 0.00 -0.34 0.00 0.00 178.44 178.83 3f93 h ALA 389 N 1.10 1.14 -0.79 1.25 0.00 -0.46 0.11 119.26 121.62 3f93 h ALA 389 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3f93 h ALA 389 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3f93 h ALA 389 CO -0.03 0.58 0.30 -0.09 0.00 0.00 0.00 179.25 180.01 3f93 h ARG 390 N 0.87 1.19 -0.63 0.00 2.43 -0.97 0.31 114.38 117.58 3f93 h ARG 390 Ca 0.19 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3f93 h ARG 390 Cb 0.32 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3f93 h ARG 390 CO -0.00 0.97 0.05 1.49 -1.51 0.00 0.00 179.97 180.97 3f93 h GLU 391 N 1.15 1.07 0.00 0.20 4.81 -0.95 -1.98 114.58 118.88 3f93 h GLU 391 Ca 0.26 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3f93 h GLU 391 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3f93 h GLU 391 CO -0.02 1.01 -0.29 0.00 -0.73 0.00 0.00 179.01 178.98 3f93 h ALA 392 N 1.05 1.50 0.01 2.92 0.00 0.25 -1.43 119.26 123.56 3f93 h ALA 392 Ca 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3f93 h ALA 392 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3f93 h ALA 392 CO 0.02 0.37 -0.00 0.28 0.00 0.00 0.00 179.25 179.92 3f93 h VAL 393 N 0.00 1.34 -0.59 0.00 2.07 -0.19 -2.82 116.25 116.07 3f93 h VAL 393 Ca -0.00 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 3f93 h VAL 393 Cb 0.53 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3f93 h VAL 393 CO 0.04 0.28 0.30 0.03 0.02 0.00 0.00 177.57 178.24 3f93 h ARG 394 N -0.47 0.82 0.00 1.57 3.08 -1.03 -0.47 114.38 117.87 3f93 h ARG 394 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3f93 h ARG 394 Cb 0.46 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3f93 h ARG 394 CO 0.00 0.62 0.00 0.87 -1.07 0.00 0.00 179.97 180.40 3f93 h LYS 395 N 0.83 0.00 0.00 0.04 1.57 -1.35 -3.31 116.57 114.35 3f93 h LYS 395 Ca 0.21 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.79 3f93 h LYS 395 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3f93 h LYS 395 CO -0.03 0.00 -1.14 0.66 -0.57 0.00 0.00 179.45 178.37 3f93 h SER 396 N 0.00 0.00 -2.45 0.86 4.64 -0.82 -3.19 113.55 112.59 3f93 h SER 396 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3f93 h SER 396 Cb 0.79 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.92 3f93 h SER 396 CO 0.00 0.78 1.14 0.18 -0.87 0.00 0.00 176.83 178.07 3f93 n LEU 397 N -3.14 4.07 -4.41 5.97 4.77 -1.03 -4.64 117.00 118.59 3f93 n LEU 397 Ca -0.06 0.96 -0.35 0.00 -0.03 0.00 0.00 56.01 56.53 3f93 n LEU 397 Cb 0.89 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.32 3f93 n LEU 397 CO 0.44 0.18 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.66 3f93 s VAL 398 N 3.21 3.92 -0.59 4.08 1.01 0.87 -3.37 120.40 129.53 3f93 s VAL 398 Ca 0.84 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 3f93 s VAL 398 Cb -0.47 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.15 3f93 s VAL 398 CO 0.39 0.40 1.06 -0.22 0.00 0.00 0.00 175.10 176.73 3f93 s LEU 399 N 1.32 3.82 0.05 3.92 2.96 -1.26 0.61 118.68 130.10 3f93 s LEU 399 Ca 0.04 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 3f93 s LEU 399 Cb -0.15 -2.87 -0.29 0.00 0.50 0.00 0.00 46.19 43.39 3f93 s LEU 399 CO 0.01 -1.40 1.10 -0.07 -1.32 0.00 0.00 176.35 174.68 3f93 h LEU 400 N 11.54 0.88 -7.43 -0.68 3.38 -1.40 0.36 115.31 121.96 3f93 h LEU 400 Ca -0.26 -0.82 -0.21 0.00 0.09 0.00 0.00 57.88 56.68 3f93 h LEU 400 Cb 1.07 -0.28 -0.29 0.00 0.09 0.00 0.00 40.66 41.24 3f93 h LEU 400 CO 1.15 1.62 -0.53 -0.75 0.09 0.00 0.00 178.44 180.02 3f93 s LYS 401 N -2.97 0.17 -0.39 1.13 2.20 -0.73 -4.83 119.74 114.32 3f93 s LYS 401 Ca -0.09 0.40 0.11 0.00 -0.36 0.00 0.00 55.97 56.02 3f93 s LYS 401 Cb 0.06 -0.07 0.36 0.00 -1.51 0.00 0.00 37.83 36.66 3f93 s LYS 401 CO 0.94 -0.12 0.93 -1.71 -0.36 0.00 0.00 175.35 175.02 3f93 n ASN 402 N 3.86 -0.30 -4.66 1.43 5.15 -1.25 -0.06 115.26 119.42 3f93 n ASN 402 Ca -0.22 -3.15 -0.46 0.00 -0.60 0.00 0.00 54.58 50.15 3f93 n ASN 402 Cb 0.54 0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 40.07 3f93 n ASN 402 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3f93 n ASN 403 N 0.19 2.98 -1.41 1.20 4.13 -0.24 -1.91 115.26 120.20 3f93 n ASN 403 Ca 0.15 1.08 -0.15 0.00 1.68 0.00 0.00 54.58 57.35 3f93 n ASN 403 Cb 0.71 -1.41 -0.04 0.00 -1.54 0.00 0.00 39.78 37.50 3f93 n ASN 403 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3f93 n GLU 404 N 3.38 -1.11 -4.05 3.52 -0.58 -1.26 -2.75 120.64 117.79 3f93 n GLU 404 Ca 0.17 0.88 -0.31 0.00 -0.42 0.00 0.00 57.16 57.48 3f93 n GLU 404 Cb 0.28 -5.11 -0.01 0.00 -0.57 0.00 0.00 31.44 26.03 3f93 n GLU 404 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3f93 n SER 405 N -0.62 -2.54 0.15 1.62 7.64 -0.80 -4.86 113.62 114.21 3f93 n SER 405 Ca -0.16 -0.96 0.03 0.00 1.01 0.00 0.00 58.87 58.80 3f93 n SER 405 Cb 0.56 -3.14 0.42 0.00 -1.01 0.00 0.00 64.21 61.04 3f93 n SER 405 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3f93 h ILE 406 N -1.75 1.17 -3.06 0.44 2.10 -1.68 -3.40 117.51 111.33 3f93 h ILE 406 Ca -0.60 -0.75 -0.60 0.00 1.08 0.00 0.00 64.86 63.99 3f93 h ILE 406 Cb 1.38 1.26 -0.05 0.00 -1.09 0.00 0.00 36.82 38.32 3f93 h ILE 406 CO 0.70 0.23 -0.25 -0.76 -1.08 0.00 0.00 178.15 176.99 3f93 s LEU 407 N -8.71 4.38 0.57 2.19 1.43 -1.26 -3.88 118.68 113.39 3f93 s LEU 407 Ca -0.05 0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 53.78 3f93 s LEU 407 Cb 0.15 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3f93 s LEU 407 CO 0.72 0.22 0.92 -2.16 0.23 0.00 0.00 176.35 176.28 3f93 s PRO 408 N -1.69 3.41 -0.03 1.29 0.04 -1.26 -4.95 135.00 131.81 3f93 s PRO 408 Ca 0.30 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 3f93 s PRO 408 Cb -0.14 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3f93 s PRO 408 CO 0.16 -0.49 0.38 0.42 0.04 0.00 0.00 177.00 177.52 3f93 s ILE 409 N -3.00 5.10 0.14 0.56 1.01 -0.36 -4.80 121.20 119.85 3f93 s ILE 409 Ca 0.52 0.78 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 3f93 s ILE 409 Cb -0.11 -3.69 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 3f93 s ILE 409 CO 0.49 0.55 1.83 0.29 0.00 0.00 0.00 174.94 178.10 3f93 n LYS 410 N 2.07 2.82 0.25 2.79 5.02 -1.26 -0.63 118.16 129.23 3f93 n LYS 410 Ca -0.14 1.02 0.17 0.00 -2.02 0.00 0.00 58.31 57.34 3f93 n LYS 410 Cb 0.52 -2.91 0.90 0.00 -0.02 0.00 0.00 35.03 33.52 3f93 n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f93 h ALA 411 N 8.30 1.02 -0.01 7.82 0.00 -1.79 -1.38 119.26 133.22 3f93 h ALA 411 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3f93 h ALA 411 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3f93 h ALA 411 CO 0.95 -0.02 -0.14 -1.13 0.00 0.00 0.00 179.25 178.91 3f93 n SER 412 N -2.67 1.08 -4.72 0.00 3.41 -1.26 -3.83 113.62 105.62 3f93 n SER 412 Ca -0.02 -1.06 -0.29 0.00 -0.26 0.00 0.00 58.87 57.24 3f93 n SER 412 Cb 0.07 0.06 0.15 0.00 -0.26 0.00 0.00 64.21 64.22 3f93 n SER 412 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3f93 s SER 413 N -2.32 3.27 -0.47 4.04 0.01 -0.52 -4.04 113.70 113.68 3f93 s SER 413 Ca 0.30 1.28 -0.23 0.00 1.31 0.00 0.00 55.95 58.61 3f93 s SER 413 Cb 0.20 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.51 3f93 s SER 413 CO 0.45 -2.74 0.80 -0.60 0.41 0.00 0.00 173.24 171.56 3f93 s ARG 414 N -5.02 3.38 -0.11 12.44 3.52 -1.26 -2.46 118.95 129.44 3f93 s ARG 414 Ca 0.64 -0.16 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 3f93 s ARG 414 Cb -0.17 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3f93 s ARG 414 CO 0.56 -1.17 -0.23 0.42 -0.81 0.00 0.00 175.30 174.07 3f93 s ILE 415 N 3.35 2.14 -0.21 4.11 1.01 0.44 0.51 121.20 132.55 3f93 s ILE 415 Ca 0.29 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 3f93 s ILE 415 Cb -0.12 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3f93 s ILE 415 CO 0.22 0.55 0.15 -0.22 0.00 0.00 0.00 174.94 175.64 3f93 s LEU 416 N 0.47 4.19 -0.22 2.97 2.96 -0.82 -1.49 118.68 126.73 3f93 s LEU 416 Ca -0.15 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.91 3f93 s LEU 416 Cb -0.17 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3f93 s LEU 416 CO 0.06 0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.59 3f93 s VAL 417 N 0.55 4.23 0.40 1.68 1.01 0.70 -1.24 120.40 127.74 3f93 s VAL 417 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3f93 s VAL 417 Cb -0.12 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3f93 s VAL 417 CO 0.00 0.39 0.11 0.00 0.00 0.00 0.00 175.10 175.60 3f93 s ALA 418 N 1.23 2.89 0.00 5.51 0.00 0.24 -1.45 121.76 130.18 3f93 s ALA 418 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3f93 s ALA 418 Cb -0.15 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3f93 s ALA 418 CO 0.03 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3f93 n GLY 419 N -0.89 -0.08 0.34 0.00 0.00 -0.42 0.04 105.19 104.18 3f93 n GLY 419 Ca -0.06 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.61 3f93 n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f93 h LYS 420 N 0.00 0.00 -0.00 1.61 1.57 -1.71 -1.05 116.57 116.98 3f93 h LYS 420 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f93 h LYS 420 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3f93 h LYS 420 CO 0.00 0.00 -0.32 0.41 -0.57 0.00 0.00 179.45 178.97 3f93 n GLY 421 N -1.31 -1.05 0.24 3.86 0.00 0.55 -4.43 105.19 103.06 3f93 n GLY 421 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 3f93 n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 h ALA 422 N 3.28 0.08 0.00 4.61 0.00 -1.12 -3.22 119.26 122.89 3f93 h ALA 422 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3f93 h ALA 422 Cb 0.48 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 3f93 h ALA 422 CO 0.00 -0.57 -0.58 -1.71 0.00 0.00 0.00 179.25 176.39 3f93 n ASN 423 N -5.37 1.31 -4.07 0.00 5.15 -1.26 -0.93 115.26 110.10 3f93 n ASN 423 Ca 0.02 -2.84 -0.35 0.00 -0.60 0.00 0.00 54.58 50.81 3f93 n ASN 423 Cb 0.28 -0.38 -0.12 0.00 -0.53 0.00 0.00 39.78 39.03 3f93 n ASN 423 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3f93 s ALA 424 N -1.61 3.30 0.49 5.20 0.00 -1.22 -4.87 121.76 123.06 3f93 s ALA 424 Ca 0.29 -2.91 0.20 0.00 0.00 0.00 0.00 51.96 49.54 3f93 s ALA 424 Cb 0.30 -2.41 1.23 0.00 0.00 0.00 0.00 23.12 22.23 3f93 s ALA 424 CO -0.07 -1.93 2.00 0.82 0.00 0.00 0.00 175.76 176.57 3f93 h ILE 425 N 5.87 0.82 -0.47 0.00 2.04 -1.91 -1.52 117.51 122.34 3f93 h ILE 425 Ca -0.07 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3f93 h ILE 425 Cb 0.99 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3f93 h ILE 425 CO 0.68 0.03 0.32 -0.55 0.00 0.00 0.00 178.15 178.63 3f93 h ASN 426 N 0.18 0.45 -0.33 1.72 -0.00 -1.86 -0.76 115.58 114.97 3f93 h ASN 426 Ca 0.25 -0.01 -0.10 0.00 -0.00 0.00 0.00 56.30 56.44 3f93 h ASN 426 Cb 0.74 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.95 3f93 h ASN 426 CO -0.04 0.31 -0.18 0.24 -0.00 0.00 0.00 177.43 177.76 3f93 h MET 427 N 0.52 0.71 0.00 4.14 2.86 -1.61 -2.89 114.93 118.66 3f93 h MET 427 Ca 0.19 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3f93 h MET 427 Cb 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3f93 h MET 427 CO -0.05 0.93 0.00 -0.56 1.06 0.00 0.00 176.91 178.29 3f93 h GLN 428 N 0.48 0.00 0.09 1.72 3.07 -1.29 -3.27 115.11 115.91 3f93 h GLN 428 Ca 0.07 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.48 3f93 h GLN 428 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.26 3f93 h GLN 428 CO 0.05 0.00 -1.84 0.00 0.09 0.00 0.00 178.83 177.14 3f93 h ALA 429 N 2.13 0.51 0.00 0.06 0.00 -1.19 0.36 119.26 121.14 3f93 h ALA 429 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.54 3f93 h ALA 429 Cb 0.70 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3f93 h ALA 429 CO 0.00 1.37 0.00 0.41 0.00 0.00 0.00 179.25 181.03 3f93 n GLY 430 N 1.81 -2.22 3.53 0.00 0.00 -1.09 -4.66 105.19 102.56 3f93 n GLY 430 Ca -0.25 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 3f93 n GLY 430 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f93 s GLY 431 N -1.15 1.55 -1.37 -0.02 0.00 -1.13 -3.90 107.32 101.30 3f93 s GLY 431 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 3f93 s GLY 431 CO 0.00 0.51 0.27 0.79 0.00 0.00 0.00 173.10 174.66 3f93 n TRP 432 N -4.75 -1.25 -3.89 1.90 7.02 0.97 -4.96 117.44 112.48 3f93 n TRP 432 Ca 0.03 0.23 -0.30 0.00 -1.02 0.00 0.00 57.50 56.44 3f93 n TRP 432 Cb 0.55 -3.69 -0.15 0.00 -2.42 0.00 0.00 31.31 25.60 3f93 n TRP 432 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3f93 s SER 433 N -2.51 4.42 0.00 -0.99 0.01 -1.25 -4.44 113.70 108.94 3f93 s SER 433 Ca 0.13 -1.90 0.00 0.00 1.31 0.00 0.00 55.95 55.49 3f93 s SER 433 Cb -0.06 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.89 3f93 s SER 433 CO 0.16 -0.39 0.00 0.52 0.41 0.00 0.00 173.24 173.94 3f93 n VAL 434 N 4.53 0.00 -3.65 3.43 0.31 0.13 -4.72 118.33 118.35 3f93 n VAL 434 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.10 3f93 n VAL 434 Cb 0.42 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3f93 n VAL 434 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3f93 s SER 435 N 0.00 4.81 -0.02 4.52 1.04 -1.26 -4.69 113.70 118.11 3f93 s SER 435 Ca 0.00 -1.05 -0.07 0.00 0.48 0.00 0.00 55.95 55.31 3f93 s SER 435 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 3f93 s SER 435 CO 0.00 -1.03 0.46 -0.25 0.98 0.00 0.00 173.24 173.40 3f93 h TRP 436 N 0.72 -0.22 -0.08 5.02 7.01 -1.85 -2.95 115.95 123.61 3f93 h TRP 436 Ca -0.37 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.53 3f93 h TRP 436 Cb 1.29 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.43 3f93 h TRP 436 CO 0.76 -0.14 -0.34 1.96 -2.79 0.00 0.00 178.44 177.89 3f93 h GLN 437 N -0.54 0.37 0.00 2.65 1.08 -1.92 0.28 115.11 117.03 3f93 h GLN 437 Ca -0.02 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3f93 h GLN 437 Cb 0.18 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3f93 h GLN 437 CO 0.04 0.93 0.00 0.41 -0.95 0.00 0.00 178.83 179.26 3f93 n GLY 438 N 0.68 0.94 0.20 3.46 0.00 -1.26 -2.49 105.19 106.71 3f93 n GLY 438 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3f93 n GLY 438 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f93 h THR 439 N 0.00 0.88 0.00 2.61 1.35 -1.93 -2.74 112.91 113.08 3f93 h THR 439 Ca 0.00 -1.37 -0.09 0.00 -0.55 0.00 0.00 66.41 64.41 3f93 h THR 439 Cb 0.00 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3f93 h THR 439 CO 0.00 0.33 -0.42 -2.24 -0.25 0.00 0.00 175.52 172.95 3f93 h ASP 440 N 0.00 0.00 -3.97 5.36 2.03 -1.96 -3.46 116.42 114.41 3f93 h ASP 440 Ca -0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 3f93 h ASP 440 Cb 0.80 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 39.38 3f93 h ASP 440 CO 0.04 0.42 0.56 0.20 -1.03 0.00 0.00 179.24 179.43 3f93 s ASN 441 N -6.53 6.19 0.44 4.15 0.01 -1.04 -5.06 114.94 113.10 3f93 s ASN 441 Ca -0.00 2.53 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 3f93 s ASN 441 Cb 0.11 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3f93 s ASN 441 CO 0.70 -0.92 0.00 0.35 -1.51 0.00 0.00 177.10 175.72 3f93 n THR 442 N -0.16 0.00 0.26 1.60 -2.24 -1.26 -4.77 114.28 107.71 3f93 n THR 442 Ca 0.05 -2.09 0.14 0.00 -2.27 0.00 0.00 64.05 59.89 3f93 n THR 442 Cb 0.45 0.42 0.71 0.00 -2.10 0.00 0.00 70.33 69.82 3f93 n THR 442 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3f93 h ASN 443 N 1.07 0.00 1.24 3.42 4.21 -1.96 -2.34 115.58 121.23 3f93 h ASN 443 Ca -0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3f93 h ASN 443 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 3f93 h ASN 443 CO 0.61 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.21 3f93 n SER 444 N -2.49 0.65 -0.08 5.81 3.41 -1.26 -2.43 113.62 117.22 3f93 n SER 444 Ca -0.01 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 3f93 n SER 444 Cb 0.10 -0.75 0.78 0.00 -0.26 0.00 0.00 64.21 64.08 3f93 n SER 444 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3f93 n ASP 445 N -2.13 0.29 -3.30 4.04 8.00 -0.88 -4.27 116.55 118.30 3f93 n ASP 445 Ca 0.05 -0.78 -0.26 0.00 0.71 0.00 0.00 54.79 54.51 3f93 n ASP 445 Cb 0.37 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3f93 n ASP 445 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3f93 n PHE 446 N -0.91 2.43 -2.13 1.24 3.72 -1.02 -4.54 117.46 116.25 3f93 n PHE 446 Ca 0.19 -3.96 -0.40 0.00 -0.05 0.00 0.00 57.45 53.23 3f93 n PHE 446 Cb 0.21 -0.49 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 3f93 n PHE 446 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3f93 s PRO 447 N -2.21 4.22 0.00 -1.08 0.04 -1.26 -2.41 135.00 132.30 3f93 s PRO 447 Ca 0.39 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3f93 s PRO 447 Cb 0.18 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3f93 s PRO 447 CO -0.05 -0.27 0.00 0.09 0.04 0.00 0.00 177.00 176.80 3f93 n ASN 448 N 0.54 0.00 -4.78 6.66 3.02 -1.26 -4.72 115.26 114.71 3f93 n ASN 448 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.27 3f93 n ASN 448 Cb 0.43 -0.64 0.12 0.00 -0.61 0.00 0.00 39.78 39.08 3f93 n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f93 s ALA 449 N -2.70 1.87 -0.06 5.41 0.00 -1.01 -5.03 121.76 120.24 3f93 s ALA 449 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 3f93 s ALA 449 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.08 3f93 s ALA 449 CO 0.00 -2.14 0.01 0.99 0.00 0.00 0.00 175.76 174.63 3f93 s THR 450 N -3.20 0.23 0.69 0.00 2.01 0.15 -5.03 115.64 110.49 3f93 s THR 450 Ca 0.63 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 3f93 s THR 450 Cb -0.15 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 71.98 3f93 s THR 450 CO 0.54 0.22 1.08 -0.94 -0.69 0.00 0.00 174.62 174.83 3f93 s SER 451 N 1.82 5.11 0.15 3.53 1.04 -1.26 -1.43 113.70 122.66 3f93 s SER 451 Ca 0.02 1.81 -0.15 0.00 0.48 0.00 0.00 55.95 58.11 3f93 s SER 451 Cb -0.12 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.50 3f93 s SER 451 CO -0.04 -1.63 1.74 0.40 0.98 0.00 0.00 173.24 174.69 3f93 h ILE 452 N -0.45 1.18 -0.55 -1.02 2.04 -1.82 0.26 117.51 117.15 3f93 h ILE 452 Ca -0.45 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 64.95 3f93 h ILE 452 Cb 1.23 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3f93 h ILE 452 CO 0.54 0.20 0.27 0.15 0.00 0.00 0.00 178.15 179.32 3f93 h PHE 453 N 0.62 0.49 -0.55 1.37 3.57 -1.36 0.13 116.94 121.22 3f93 h PHE 453 Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3f93 h PHE 453 Cb 0.11 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3f93 h PHE 453 CO -0.01 0.23 0.18 1.03 -2.23 0.00 0.00 178.31 177.51 3f93 h SER 454 N 0.52 0.80 -0.38 0.41 0.87 -1.43 0.68 113.55 115.02 3f93 h SER 454 Ca 0.25 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3f93 h SER 454 Cb 0.18 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3f93 h SER 454 CO -0.18 0.79 0.21 1.23 -0.53 0.00 0.00 176.83 178.34 3f93 h GLY 455 N 0.76 0.56 0.94 5.77 0.00 -0.38 -0.12 103.07 110.61 3f93 h GLY 455 Ca 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3f93 h GLY 455 CO -0.01 0.24 -0.01 1.41 0.00 0.00 0.00 176.54 178.18 3f93 h LEU 456 N 0.49 -0.01 -0.90 3.11 3.38 -0.22 -3.03 115.31 118.13 3f93 h LEU 456 Ca 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3f93 h LEU 456 Cb 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3f93 h LEU 456 CO -0.02 0.05 0.54 -0.61 0.09 0.00 0.00 178.44 178.49 3f93 h GLN 457 N -0.07 1.22 -0.47 1.13 4.15 0.56 -1.32 115.11 120.29 3f93 h GLN 457 Ca -0.00 -0.11 0.08 0.00 0.77 0.00 0.00 58.65 59.39 3f93 h GLN 457 Cb 0.07 -0.25 -0.07 0.00 0.21 0.00 0.00 27.48 27.44 3f93 h GLN 457 CO 0.00 0.85 0.08 1.03 -1.93 0.00 0.00 178.83 178.86 3f93 h SER 458 N 1.23 -0.03 0.50 -0.69 0.87 -0.92 -0.92 113.55 113.60 3f93 h SER 458 Ca 0.32 0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.72 3f93 h SER 458 Cb -0.05 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3f93 h SER 458 CO -0.06 0.01 -1.07 1.56 -0.53 0.00 0.00 176.83 176.74 3f93 h GLN 459 N 0.21 0.32 -0.16 2.24 4.20 -1.28 -2.84 115.11 117.79 3f93 h GLN 459 Ca 0.23 -0.43 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 3f93 h GLN 459 Cb 0.32 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3f93 h GLN 459 CO -0.32 1.14 -0.58 -0.39 -0.67 0.00 0.00 178.83 178.01 3f93 h VAL 460 N 0.14 1.33 -0.70 -0.54 -1.51 -1.05 -0.77 116.25 113.15 3f93 h VAL 460 Ca -0.10 -1.85 0.04 0.00 -1.23 0.00 0.00 66.70 63.56 3f93 h VAL 460 Cb 1.75 1.83 -0.05 0.00 -2.13 0.00 0.00 31.29 32.69 3f93 h VAL 460 CO 0.18 0.57 0.43 0.74 -1.23 0.00 0.00 177.57 178.26 3f93 h THR 461 N 0.40 1.05 0.00 7.19 2.02 -1.26 0.11 112.91 122.42 3f93 h THR 461 Ca 0.00 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 3f93 h THR 461 Cb 1.12 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3f93 h THR 461 CO 0.11 0.15 -0.42 0.11 0.37 0.00 0.00 175.52 175.84 3f93 h LYS 462 N 0.81 0.00 0.00 6.66 1.57 -1.30 -2.55 116.57 121.77 3f93 h LYS 462 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3f93 h LYS 462 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3f93 h LYS 462 CO -0.13 0.42 -0.24 0.00 -0.57 0.00 0.00 179.45 178.93 3f93 n ALA 463 N -2.42 2.71 -1.38 3.86 0.00 -0.31 -4.94 120.51 118.03 3f93 n ALA 463 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 3f93 n ALA 463 Cb 0.46 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 3f93 n ALA 463 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f93 n GLY 464 N 1.42 0.39 0.67 0.00 0.00 -0.19 -4.57 105.19 102.93 3f93 n GLY 464 Ca 0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 3f93 n GLY 464 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f93 n GLY 465 N -2.22 -0.49 3.25 -0.02 0.00 0.20 -4.93 105.19 100.98 3f93 n GLY 465 Ca -0.01 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 3f93 n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f93 s LYS 466 N -3.27 1.73 -0.00 1.61 -0.14 -1.03 -4.60 119.74 114.05 3f93 s LYS 466 Ca 0.13 -0.82 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 3f93 s LYS 466 Cb -0.00 -1.71 -0.01 0.00 -1.68 0.00 0.00 37.83 34.43 3f93 s LYS 466 CO 0.09 0.46 -0.06 -1.50 -0.76 0.00 0.00 175.35 173.58 3f93 s ILE 467 N -0.56 0.50 0.08 2.17 2.07 -1.26 -0.42 121.20 123.78 3f93 s ILE 467 Ca 0.08 -0.32 0.06 0.00 -1.41 0.00 0.00 60.65 59.06 3f93 s ILE 467 Cb -0.09 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 3f93 s ILE 467 CO -0.00 0.11 -0.15 0.42 -1.91 0.00 0.00 174.94 173.40 3f93 s THR 468 N -0.22 1.25 -0.16 4.00 -4.23 -0.56 -4.98 115.64 110.75 3f93 s THR 468 Ca 0.02 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3f93 s THR 468 Cb -0.03 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 3f93 s THR 468 CO -0.00 -0.21 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.56 3f93 s LEU 469 N -1.83 2.85 -0.14 4.79 2.96 -1.26 -0.22 118.68 125.82 3f93 s LEU 469 Ca 0.00 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 3f93 s LEU 469 Cb -0.10 -1.67 0.07 0.00 0.50 0.00 0.00 46.19 44.99 3f93 s LEU 469 CO 0.03 0.11 0.30 -0.55 -1.32 0.00 0.00 176.35 174.92 3f93 s SER 470 N 0.67 0.11 0.21 3.68 0.15 -0.53 -4.97 113.70 113.02 3f93 s SER 470 Ca -0.05 0.69 -0.10 0.00 0.70 0.00 0.00 55.95 57.19 3f93 s SER 470 Cb -0.15 0.82 0.18 0.00 -1.71 0.00 0.00 66.02 65.16 3f93 s SER 470 CO 0.02 -0.23 1.86 -0.33 1.20 0.00 0.00 173.24 175.76 3f93 h GLU 471 N 8.09 0.88 -0.48 5.44 5.08 -1.82 -2.67 114.58 129.10 3f93 h GLU 471 Ca -0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3f93 h GLU 471 Cb 1.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3f93 h GLU 471 CO 0.16 0.58 0.00 -1.13 -1.00 0.00 0.00 179.01 177.63 3f93 n SER 472 N -4.63 2.58 -0.39 1.42 3.41 -1.26 -1.30 113.62 113.44 3f93 n SER 472 Ca 0.07 -2.06 -0.04 0.00 -0.26 0.00 0.00 58.87 56.59 3f93 n SER 472 Cb 0.06 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.67 3f93 n SER 472 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f93 n GLY 473 N 1.14 0.37 3.75 5.00 0.00 -1.01 -5.00 105.19 109.44 3f93 n GLY 473 Ca 0.15 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 3f93 n GLY 473 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f93 s GLU 474 N -3.56 4.78 0.13 1.61 2.02 -1.26 -5.06 118.70 117.37 3f93 s GLU 474 Ca 0.00 1.53 -0.10 0.00 0.02 0.00 0.00 54.97 56.42 3f93 s GLU 474 Cb 0.00 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.94 3f93 s GLU 474 CO 0.00 0.39 0.28 1.52 0.02 0.00 0.00 175.26 177.47 3f93 s TYR 475 N -0.86 0.18 -0.15 1.61 1.13 -1.26 -4.67 117.35 113.33 3f93 s TYR 475 Ca 0.43 -0.56 -0.11 0.00 -1.41 0.00 0.00 57.07 55.42 3f93 s TYR 475 Cb -0.26 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 3f93 s TYR 475 CO 0.33 -0.66 -0.21 2.41 -2.51 0.00 0.00 175.55 174.91 3f93 n THR 476 N -0.16 1.42 -4.05 -3.49 -1.04 -1.26 -4.96 114.28 100.74 3f93 n THR 476 Ca -0.12 0.21 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 3f93 n THR 476 Cb 0.63 -2.38 -0.07 0.00 -1.82 0.00 0.00 70.33 66.69 3f93 n THR 476 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3f93 s SER 477 N -5.75 5.93 -0.06 8.00 0.01 -1.26 -5.05 113.70 115.52 3f93 s SER 477 Ca -0.17 0.27 -0.35 0.00 1.31 0.00 0.00 55.95 57.01 3f93 s SER 477 Cb 0.02 -1.79 -0.13 0.00 0.21 0.00 0.00 66.02 64.33 3f93 s SER 477 CO 0.25 0.32 1.77 1.17 0.41 0.00 0.00 173.24 177.17 3f93 n LYS 478 N 1.49 1.95 -1.73 12.44 3.00 -1.26 -4.97 118.16 129.09 3f93 n LYS 478 Ca -0.15 0.71 -0.32 0.00 -0.00 0.00 0.00 58.31 58.55 3f93 n LYS 478 Cb 0.53 -2.51 0.04 0.00 0.00 0.00 0.00 35.03 33.10 3f93 n LYS 478 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3f93 s PRO 479 N 3.15 3.03 0.53 1.64 0.04 -1.26 -4.96 135.00 137.17 3f93 s PRO 479 Ca 0.90 1.06 0.35 0.00 0.04 0.00 0.00 61.00 63.36 3f93 s PRO 479 Cb -0.76 -2.00 1.64 0.00 0.04 0.00 0.00 34.50 33.41 3f93 s PRO 479 CO 0.51 -1.03 2.05 -0.44 0.04 0.00 0.00 177.00 178.13 3f93 h ASP 480 N -0.32 0.00 -3.02 6.66 3.32 -0.32 -3.46 116.42 119.29 3f93 h ASP 480 Ca -0.45 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.71 3f93 h ASP 480 Cb 1.21 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.49 3f93 h ASP 480 CO 0.57 0.00 0.61 0.54 -1.72 0.00 0.00 179.24 179.24 3f93 s VAL 481 N -3.76 0.00 -0.22 -1.35 0.11 -1.23 -4.44 120.40 109.50 3f93 s VAL 481 Ca -0.01 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 3f93 s VAL 481 Cb 0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3f93 s VAL 481 CO 0.46 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 172.16 3f93 s ALA 482 N -0.06 2.73 -0.38 1.54 0.00 -0.55 -1.95 121.76 123.08 3f93 s ALA 482 Ca 0.04 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 3f93 s ALA 482 Cb -0.04 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.46 3f93 s ALA 482 CO -0.08 -0.50 0.82 0.42 0.00 0.00 0.00 175.76 176.41 3f93 s ILE 483 N 1.42 4.68 -0.33 0.00 1.01 -0.37 -0.68 121.20 126.93 3f93 s ILE 483 Ca 0.05 0.89 -0.07 0.00 0.00 0.00 0.00 60.65 61.51 3f93 s ILE 483 Cb -0.15 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.10 3f93 s ILE 483 CO -0.05 -0.50 0.10 -0.69 0.00 0.00 0.00 174.94 173.81 3f93 s VAL 484 N 3.22 3.90 -0.37 2.92 1.01 0.31 -0.60 120.40 130.79 3f93 s VAL 484 Ca 0.33 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3f93 s VAL 484 Cb -0.13 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3f93 s VAL 484 CO 0.18 -0.10 0.23 -0.69 0.00 0.00 0.00 175.10 174.72 3f93 s VAL 485 N 1.45 4.82 0.25 2.92 1.01 0.11 -0.87 120.40 130.07 3f93 s VAL 485 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3f93 s VAL 485 Cb -0.19 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3f93 s VAL 485 CO 0.03 -0.20 0.09 0.27 0.00 0.00 0.00 175.10 175.29 3f93 s ILE 486 N 1.61 0.55 -4.79 2.22 -4.36 -0.74 -0.33 121.20 115.36 3f93 s ILE 486 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3f93 s ILE 486 Cb -0.19 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.94 3f93 s ILE 486 CO 0.08 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.82 3f93 n GLY 487 N -0.44 -0.88 3.74 6.27 0.00 -1.26 -0.86 105.19 111.76 3f93 n GLY 487 Ca -0.01 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3f93 n GLY 487 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f93 s GLU 488 N -1.92 4.34 0.61 1.61 2.02 0.05 -4.95 118.70 120.46 3f93 s GLU 488 Ca 0.00 2.16 -0.19 0.00 0.02 0.00 0.00 54.97 56.96 3f93 s GLU 488 Cb 0.00 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 3f93 s GLU 488 CO 0.00 -0.32 1.30 -1.21 0.02 0.00 0.00 175.26 175.05 3f93 s GLU 489 N -0.29 2.76 0.54 1.61 0.41 -1.26 -4.81 118.70 117.66 3f93 s GLU 489 Ca 0.57 2.08 -0.20 0.00 -0.41 0.00 0.00 54.97 57.02 3f93 s GLU 489 Cb -0.39 -1.96 -0.06 0.00 -1.78 0.00 0.00 34.13 29.94 3f93 s GLU 489 CO 0.41 -1.44 1.14 -1.25 -0.49 0.00 0.00 175.26 173.63 3f93 s PRO 490 N -3.25 3.37 0.08 0.39 0.04 -1.26 -5.01 135.00 129.37 3f93 s PRO 490 Ca 0.79 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 63.28 3f93 s PRO 490 Cb -0.37 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.18 3f93 s PRO 490 CO 0.41 -0.84 0.47 1.52 0.04 0.00 0.00 177.00 178.60 3f93 s TYR 491 N -1.74 -0.34 0.01 0.56 -0.85 -1.04 -4.38 117.35 109.57 3f93 s TYR 491 Ca 0.72 0.24 0.06 0.00 -0.52 0.00 0.00 57.07 57.57 3f93 s TYR 491 Cb -0.25 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.40 3f93 s TYR 491 CO 0.28 -0.67 -0.17 0.00 -1.52 0.00 0.00 175.55 173.47 3f93 s ALA 492 N -3.00 1.42 0.00 9.51 0.00 -1.26 -2.85 121.76 125.58 3f93 s ALA 492 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3f93 s ALA 492 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3f93 s ALA 492 CO -0.06 0.33 0.00 0.39 0.00 0.00 0.00 175.76 176.42 3f93 n GLU 493 N 2.34 0.00 0.26 0.00 1.02 -1.20 -2.56 120.64 120.50 3f93 n GLU 493 Ca -0.16 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.16 3f93 n GLU 493 Cb 0.54 0.00 0.85 0.00 -0.02 0.00 0.00 31.44 32.81 3f93 n GLU 493 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3f93 h TRP 494 N 0.00 0.00 -0.28 -0.32 0.09 -1.93 -2.10 115.95 111.41 3f93 h TRP 494 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.96 3f93 h TRP 494 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.23 3f93 h TRP 494 CO 0.00 0.00 0.10 0.74 0.09 0.00 0.00 178.44 179.37 3f93 h PHE 495 N 0.00 0.38 -0.01 0.12 0.04 -1.85 -2.26 116.94 113.36 3f93 h PHE 495 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3f93 h PHE 495 Cb 0.18 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3f93 h PHE 495 CO 0.00 0.32 -0.18 0.41 -0.60 0.00 0.00 178.31 178.26 3f93 n GLY 496 N -1.26 -0.62 3.68 -1.45 0.00 -0.79 -4.88 105.19 99.86 3f93 n GLY 496 Ca 0.01 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 3f93 n GLY 496 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f93 n ASP 497 N -0.63 3.55 -4.58 1.61 9.92 -0.85 -3.79 116.55 121.77 3f93 n ASP 497 Ca 0.14 1.02 -0.27 0.00 -0.53 0.00 0.00 54.79 55.15 3f93 n ASP 497 Cb 0.33 -1.46 -0.11 0.00 -0.64 0.00 0.00 41.12 39.24 3f93 n ASP 497 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3f93 s ILE 498 N 2.43 1.77 -0.01 0.53 -4.36 -0.15 -4.91 121.20 116.51 3f93 s ILE 498 Ca 0.84 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 3f93 s ILE 498 Cb -0.61 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.17 3f93 s ILE 498 CO 0.41 0.00 0.00 -0.62 0.24 0.00 0.00 174.94 174.98 3f93 n GLU 499 N -0.92 3.63 -4.38 0.37 1.02 -1.26 -4.80 120.64 114.30 3f93 n GLU 499 Ca -0.05 -0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.75 3f93 n GLU 499 Cb 0.67 -1.03 -0.11 0.00 -0.02 0.00 0.00 31.44 30.95 3f93 n GLU 499 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3f93 s LEU 500 N -4.13 3.41 0.09 -4.62 2.01 -1.26 -5.00 118.68 109.17 3f93 s LEU 500 Ca -0.01 -0.01 0.27 0.00 0.01 0.00 0.00 54.13 54.40 3f93 s LEU 500 Cb 0.00 -1.80 1.04 0.00 0.01 0.00 0.00 46.19 45.44 3f93 s LEU 500 CO 0.05 0.26 1.85 0.18 1.01 0.00 0.00 176.35 179.70 3f93 n LEU 501 N 2.93 0.36 -4.70 1.79 4.77 -1.22 -4.86 117.00 116.07 3f93 n LEU 501 Ca -0.18 0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 3f93 n LEU 501 Cb 0.53 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3f93 n LEU 501 CO 0.31 -0.09 0.92 -0.70 -1.33 0.00 0.00 177.39 176.50 3f93 s GLU 502 N -3.05 4.40 0.11 3.23 2.12 -1.26 -0.59 118.70 123.65 3f93 s GLU 502 Ca 0.12 1.76 -0.31 0.00 0.36 0.00 0.00 54.97 56.90 3f93 s GLU 502 Cb 0.16 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 31.03 3f93 s GLU 502 CO 0.55 -0.34 1.59 0.12 -0.54 0.00 0.00 175.26 176.64 3f93 s PHE 503 N 1.51 2.75 -1.42 5.30 5.36 -0.99 -2.98 117.98 127.51 3f93 s PHE 503 Ca 0.58 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 57.02 3f93 s PHE 503 Cb -0.28 -3.92 0.03 0.00 -0.34 0.00 0.00 43.02 38.51 3f93 s PHE 503 CO 0.27 -3.53 0.59 1.04 -1.46 0.00 0.00 175.22 172.13 3f93 n GLN 504 N 4.83 -3.96 -0.31 10.12 6.02 -1.26 -4.73 117.38 128.08 3f93 n GLN 504 Ca 0.15 0.48 0.16 0.00 -0.01 0.00 0.00 57.00 57.78 3f93 n GLN 504 Cb 0.40 -4.87 0.35 0.00 1.02 0.00 0.00 30.24 27.14 3f93 n GLN 504 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3f93 h HIS 505 N -1.84 0.67 0.29 1.08 -0.00 -1.93 0.38 115.15 113.80 3f93 h HIS 505 Ca -0.62 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 59.79 3f93 h HIS 505 Cb 1.37 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 3f93 h HIS 505 CO 0.51 -0.11 -0.21 1.49 -0.00 0.00 0.00 177.93 179.61 3f93 h GLU 506 N 0.35 -0.48 0.00 5.26 4.57 -1.91 -3.39 114.58 118.99 3f93 h GLU 506 Ca 0.61 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.74 3f93 h GLU 506 Cb 1.23 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 3f93 h GLU 506 CO -0.57 -0.32 -1.45 0.25 -1.18 0.00 0.00 179.01 175.74 3f93 n THR 507 N -5.34 0.28 -2.84 0.32 -2.24 -0.93 -4.99 114.28 98.54 3f93 n THR 507 Ca -0.09 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 3f93 n THR 507 Cb 0.24 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 3f93 n THR 507 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f93 n LYS 508 N -2.05 -2.70 -0.25 -0.78 4.76 0.13 -4.86 118.16 112.42 3f93 n LYS 508 Ca -0.07 0.37 -0.03 0.00 -2.87 0.00 0.00 58.31 55.71 3f93 n LYS 508 Cb 0.50 -4.97 0.08 0.00 -1.84 0.00 0.00 35.03 28.80 3f93 n LYS 508 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3f93 h HIS 509 N -0.33 0.79 -0.22 2.13 2.76 -1.93 -1.57 115.15 116.78 3f93 h HIS 509 Ca -0.27 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.78 3f93 h HIS 509 Cb 1.19 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 3f93 h HIS 509 CO 0.75 0.43 -0.47 0.00 -1.30 0.00 0.00 177.93 177.34 3f93 h ALA 510 N 1.31 0.75 -0.93 5.26 0.00 -1.95 -3.14 119.26 120.57 3f93 h ALA 510 Ca 0.29 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3f93 h ALA 510 Cb 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3f93 h ALA 510 CO -0.13 0.67 0.60 1.25 0.00 0.00 0.00 179.25 181.64 3f93 h LEU 511 N 0.47 1.07 -0.05 0.00 5.85 -1.69 -0.24 115.31 120.73 3f93 h LEU 511 Ca 0.03 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3f93 h LEU 511 Cb 1.00 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3f93 h LEU 511 CO 0.09 0.79 -0.08 0.00 -0.34 0.00 0.00 178.44 178.90 3f93 h ALA 512 N 1.40 -0.05 -0.75 1.25 0.00 -1.38 -0.19 119.26 119.55 3f93 h ALA 512 Ca 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3f93 h ALA 512 Cb -0.13 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3f93 h ALA 512 CO -0.07 -0.56 0.24 1.25 0.00 0.00 0.00 179.25 180.11 3f93 h LEU 513 N -0.12 1.09 -0.04 0.00 5.85 -1.37 -0.80 115.31 119.93 3f93 h LEU 513 Ca 0.05 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3f93 h LEU 513 Cb 0.19 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3f93 h LEU 513 CO -0.12 1.00 0.01 -0.07 -0.34 0.00 0.00 178.44 178.92 3f93 h LEU 514 N 1.12 -0.00 -1.43 2.25 3.38 -0.86 -2.70 115.31 117.07 3f93 h LEU 514 Ca 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3f93 h LEU 514 Cb 0.30 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3f93 h LEU 514 CO -0.01 0.01 -0.14 0.11 0.09 0.00 0.00 178.44 178.50 3f93 h LYS 515 N 0.02 0.20 -0.16 1.13 1.57 -0.51 -0.77 116.57 118.06 3f93 h LYS 515 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3f93 h LYS 515 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3f93 h LYS 515 CO -0.02 0.35 -0.02 0.37 -0.57 0.00 0.00 179.45 179.55 3f93 h GLN 516 N 0.19 0.29 -0.57 3.15 5.75 -1.07 0.10 115.11 122.95 3f93 h GLN 516 Ca 0.04 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3f93 h GLN 516 Cb 0.37 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 3f93 h GLN 516 CO 0.02 0.55 0.27 -0.07 -2.65 0.00 0.00 178.83 176.95 3f93 h LEU 517 N 0.01 0.74 -0.16 -2.39 3.38 -1.13 -0.73 115.31 115.03 3f93 h LEU 517 Ca 0.04 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3f93 h LEU 517 Cb 0.43 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3f93 h LEU 517 CO 0.01 0.66 -0.05 0.50 0.09 0.00 0.00 178.44 179.66 3f93 h LYS 518 N 0.77 -0.01 0.00 1.13 1.63 -1.10 -0.52 116.57 118.46 3f93 h LYS 518 Ca 0.19 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 3f93 h LYS 518 Cb 0.12 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3f93 h LYS 518 CO -0.02 -0.01 -0.13 0.00 -3.45 0.00 0.00 179.45 175.84 3f93 h ALA 519 N 1.15 1.16 -0.41 5.00 0.00 -0.51 -0.08 119.26 125.56 3f93 h ALA 519 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3f93 h ALA 519 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3f93 h ALA 519 CO -0.18 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3f93 n ASP 520 N -3.47 3.73 -3.95 0.00 10.43 -0.32 -4.94 116.55 118.03 3f93 n ASP 520 Ca -0.01 -2.45 -0.28 0.00 2.57 0.00 0.00 54.79 54.62 3f93 n ASP 520 Cb 0.29 -0.54 0.00 0.00 1.84 0.00 0.00 41.12 42.71 3f93 n ASP 520 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3f93 n ASN 521 N 0.56 -2.28 -4.53 -2.24 3.02 -0.04 -4.99 115.26 104.75 3f93 n ASN 521 Ca 0.18 -0.91 -0.38 0.00 -0.03 0.00 0.00 54.58 53.44 3f93 n ASN 521 Cb 0.75 -3.42 -0.11 0.00 -0.61 0.00 0.00 39.78 36.39 3f93 n ASN 521 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3f93 s ILE 522 N -3.59 4.98 0.36 2.41 1.01 -0.23 -5.04 121.20 121.11 3f93 s ILE 522 Ca 0.33 -0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 3f93 s ILE 522 Cb -0.17 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 3f93 s ILE 522 CO 0.87 0.22 1.42 -0.81 0.00 0.00 0.00 174.94 176.64 3f93 n PRO 523 N 5.02 2.48 -4.50 2.79 -0.04 -1.26 -4.14 135.00 135.36 3f93 n PRO 523 Ca -0.14 0.87 -0.25 0.00 -0.04 0.00 0.00 63.50 63.94 3f93 n PRO 523 Cb 0.51 -2.55 -0.17 0.00 -0.04 0.00 0.00 33.50 31.26 3f93 n PRO 523 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3f93 s VAL 524 N -1.07 1.15 -0.23 0.52 0.11 -1.26 -1.49 120.40 118.13 3f93 s VAL 524 Ca 0.54 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 3f93 s VAL 524 Cb -0.51 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.27 3f93 s VAL 524 CO 0.63 0.36 -0.01 -0.69 -3.33 0.00 0.00 175.10 172.06 3f93 s VAL 525 N 0.80 3.61 -0.23 2.04 1.01 0.14 -1.30 120.40 126.47 3f93 s VAL 525 Ca -0.12 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3f93 s VAL 525 Cb -0.15 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3f93 s VAL 525 CO 0.02 0.40 0.15 -0.89 0.00 0.00 0.00 175.10 174.78 3f93 s THR 526 N 1.51 5.33 -0.27 3.92 2.01 -0.44 0.11 115.64 127.82 3f93 s THR 526 Ca 0.06 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 3f93 s THR 526 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 3f93 s THR 526 CO -0.02 0.36 0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 3f93 s VAL 527 N 0.96 4.66 -0.31 3.82 1.01 -0.05 -1.25 120.40 129.24 3f93 s VAL 527 Ca 0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3f93 s VAL 527 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3f93 s VAL 527 CO 0.04 0.26 0.24 0.12 0.00 0.00 0.00 175.10 175.76 3f93 s PHE 528 N 1.66 3.22 -0.32 5.22 5.36 0.86 -1.80 117.98 132.19 3f93 s PHE 528 Ca 0.06 -0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 55.92 3f93 s PHE 528 Cb -0.16 -2.47 -0.00 0.00 -0.34 0.00 0.00 43.02 40.05 3f93 s PHE 528 CO 0.06 -0.28 0.17 -0.51 -1.46 0.00 0.00 175.22 173.20 3f93 s LEU 529 N 1.79 4.24 0.19 6.12 1.43 -0.04 -0.32 118.68 132.09 3f93 s LEU 529 Ca 0.08 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 3f93 s LEU 529 Cb -0.17 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3f93 s LEU 529 CO 0.11 -0.23 0.52 -0.94 0.23 0.00 0.00 176.35 176.04 3f93 s SER 530 N 1.62 -0.28 0.00 2.29 1.04 -0.81 -0.77 113.70 116.78 3f93 s SER 530 Ca 0.04 -0.43 0.23 0.00 0.48 0.00 0.00 55.95 56.28 3f93 s SER 530 Cb -0.17 0.57 0.52 0.00 0.10 0.00 0.00 66.02 67.03 3f93 s SER 530 CO 0.07 -1.03 1.46 0.61 0.98 0.00 0.00 173.24 175.33 3f93 n GLY 531 N -0.33 2.06 3.59 7.32 0.00 -1.26 -3.15 105.19 113.42 3f93 n GLY 531 Ca -0.11 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 3f93 n GLY 531 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f93 s ARG 532 N -1.29 0.43 0.24 1.61 1.70 -1.26 -1.63 118.95 118.75 3f93 s ARG 532 Ca 0.43 0.01 -0.31 0.00 -0.47 0.00 0.00 55.73 55.39 3f93 s ARG 532 Cb 0.24 0.20 -0.12 0.00 -0.57 0.00 0.00 34.95 34.70 3f93 s ARG 532 CO 0.33 -0.15 1.66 -0.35 -1.08 0.00 0.00 175.30 175.70 3f93 n PRO 533 N 0.39 2.70 -4.33 3.89 -0.04 -1.26 -5.04 135.00 131.31 3f93 n PRO 533 Ca -0.05 0.97 -0.25 0.00 -0.04 0.00 0.00 63.50 64.12 3f93 n PRO 533 Cb 0.59 -2.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.18 3f93 n PRO 533 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f93 s LEU 534 N 0.42 2.99 -0.22 1.53 1.43 -1.26 -4.89 118.68 118.68 3f93 s LEU 534 Ca 0.70 -1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 3f93 s LEU 534 Cb -0.51 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 3f93 s LEU 534 CO 0.40 -0.33 1.21 0.86 0.23 0.00 0.00 176.35 178.71 3f93 s TRP 535 N -2.56 2.94 -0.12 0.29 -0.00 0.24 -4.64 118.94 115.09 3f93 s TRP 535 Ca 0.36 1.09 0.20 0.00 -0.00 0.00 0.00 56.10 57.75 3f93 s TRP 535 Cb 0.02 -3.55 0.39 0.00 -0.00 0.00 0.00 33.47 30.33 3f93 s TRP 535 CO 0.20 -1.37 1.17 1.33 -0.00 0.00 0.00 176.95 178.28 3f93 n VAL 536 N 5.57 0.41 -0.30 5.86 0.24 -1.26 -2.34 118.33 126.51 3f93 n VAL 536 Ca 0.13 -1.47 -0.02 0.00 -2.04 0.00 0.00 64.34 60.94 3f93 n VAL 536 Cb 0.46 1.03 0.11 0.00 -1.47 0.00 0.00 33.84 33.96 3f93 n VAL 536 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3f93 h ASN 537 N 1.37 0.89 -0.69 -1.34 4.21 -1.90 0.31 115.58 118.44 3f93 h ASN 537 Ca -0.28 -0.00 0.11 0.00 1.21 0.00 0.00 56.30 57.34 3f93 h ASN 537 Cb 1.55 -0.20 -0.08 0.00 -1.12 0.00 0.00 38.32 38.48 3f93 h ASN 537 CO 0.03 0.61 0.30 0.11 -1.29 0.00 0.00 177.43 177.19 3f93 h LYS 538 N 1.04 0.48 -0.01 0.81 1.57 -1.91 -0.02 116.57 118.53 3f93 h LYS 538 Ca 0.34 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3f93 h LYS 538 Cb 0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3f93 h LYS 538 CO -0.12 0.32 -0.06 0.93 -0.57 0.00 0.00 179.45 179.96 3f93 h GLU 539 N 0.50 0.06 -0.74 3.15 3.07 -1.45 -2.64 114.58 116.53 3f93 h GLU 539 Ca 0.35 -0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.31 3f93 h GLU 539 Cb 0.44 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.22 3f93 h GLU 539 CO -0.32 0.69 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.71 3f93 h LEU 540 N -0.55 -0.77 -1.35 1.33 3.38 -0.36 -1.19 115.31 115.80 3f93 h LEU 540 Ca -0.00 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.24 3f93 h LEU 540 Cb 0.70 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 3f93 h LEU 540 CO 0.01 -0.26 0.47 0.78 0.09 0.00 0.00 178.44 179.54 3f93 h ASN 541 N -0.02 0.72 -0.20 -0.43 2.35 -0.86 0.23 115.58 117.38 3f93 h ASN 541 Ca 0.35 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3f93 h ASN 541 Cb 0.55 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3f93 h ASN 541 CO -0.77 0.49 0.00 0.00 -1.65 0.00 0.00 177.43 175.50 3f93 n ALA 542 N -2.44 2.51 -2.67 -0.83 0.00 -0.50 -4.81 120.51 111.78 3f93 n ALA 542 Ca 0.10 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 3f93 n ALA 542 Cb 0.16 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 3f93 n ALA 542 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3f93 s SER 543 N -0.92 1.62 0.04 0.00 0.01 0.07 -4.70 113.70 109.82 3f93 s SER 543 Ca 0.13 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 3f93 s SER 543 Cb 0.07 -0.24 -0.29 0.00 0.21 0.00 0.00 66.02 65.77 3f93 s SER 543 CO 0.09 0.15 1.00 0.44 0.41 0.00 0.00 173.24 175.33 3f93 h ASP 544 N 5.92 0.47 -4.38 2.44 3.45 -1.43 -3.46 116.42 119.43 3f93 h ASP 544 Ca -0.34 -0.56 -0.44 0.00 0.43 0.00 0.00 57.03 56.12 3f93 h ASP 544 Cb 1.16 -0.15 -0.23 0.00 -0.56 0.00 0.00 39.33 39.55 3f93 h ASP 544 CO 0.49 1.45 -0.79 0.00 -1.57 0.00 0.00 179.24 178.82 3f93 s ALA 545 N -2.63 1.25 -0.09 3.45 0.00 -0.82 -1.07 121.76 121.84 3f93 s ALA 545 Ca -0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 3f93 s ALA 545 Cb 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.07 3f93 s ALA 545 CO 0.88 0.22 0.20 0.12 0.00 0.00 0.00 175.76 177.18 3f93 s PHE 546 N -1.06 -0.27 -0.14 0.00 5.36 0.91 -1.33 117.98 121.46 3f93 s PHE 546 Ca 0.01 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3f93 s PHE 546 Cb -0.09 -0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.57 3f93 s PHE 546 CO 0.02 -0.23 -0.13 0.08 -1.46 0.00 0.00 175.22 173.50 3f93 s VAL 547 N 1.50 1.48 -0.41 3.12 1.01 -0.38 -0.96 120.40 125.76 3f93 s VAL 547 Ca -0.07 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 3f93 s VAL 547 Cb -0.11 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.89 3f93 s VAL 547 CO -0.07 0.44 0.99 0.00 0.00 0.00 0.00 175.10 176.46 3f93 s ALA 548 N 1.49 3.33 -0.44 5.51 0.00 0.20 -0.10 121.76 131.76 3f93 s ALA 548 Ca 0.04 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.63 3f93 s ALA 548 Cb -0.13 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.23 3f93 s ALA 548 CO -0.10 -1.83 0.40 0.00 0.00 0.00 0.00 175.76 174.24 3f93 n ALA 549 N 7.11 3.22 -0.99 0.00 0.00 0.57 -0.09 120.51 130.32 3f93 n ALA 549 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3f93 n ALA 549 Cb 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3f93 n ALA 549 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3f93 n TRP 550 N -1.25 0.00 -3.93 0.00 7.02 -1.09 -3.67 117.44 114.52 3f93 n TRP 550 Ca 0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.19 3f93 n TRP 550 Cb 0.15 0.02 -0.14 0.00 -2.42 0.00 0.00 31.31 28.93 3f93 n TRP 550 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3f93 s LEU 551 N 0.00 4.40 0.48 -0.99 1.43 -1.19 -1.93 118.68 120.88 3f93 s LEU 551 Ca 0.00 -2.99 0.27 0.00 -1.03 0.00 0.00 54.13 50.39 3f93 s LEU 551 Cb 0.00 -1.66 0.93 0.00 0.03 0.00 0.00 46.19 45.49 3f93 s LEU 551 CO 0.00 -0.24 1.82 1.55 0.23 0.00 0.00 176.35 179.71 3f93 h PRO 552 N 6.56 0.00 0.00 1.29 0.13 -1.44 -1.26 132.00 137.28 3f93 h PRO 552 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3f93 h PRO 552 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3f93 h PRO 552 CO 0.69 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 3f93 n GLY 553 N 0.39 0.70 0.19 1.56 0.00 0.05 -2.07 105.19 106.00 3f93 n GLY 553 Ca 0.01 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.70 3f93 n GLY 553 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f93 h SER 554 N 3.31 0.00 -2.89 1.61 4.64 -1.54 -3.40 113.55 115.28 3f93 h SER 554 Ca 0.00 0.00 -0.81 0.00 -0.47 0.00 0.00 61.79 60.51 3f93 h SER 554 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 3f93 h SER 554 CO 0.00 0.35 0.82 -0.62 -0.87 0.00 0.00 176.83 176.51 3f93 n GLU 555 N -3.43 4.41 -0.34 4.77 -0.58 -1.26 -0.67 120.64 123.53 3f93 n GLU 555 Ca 0.00 -4.51 0.13 0.00 -0.42 0.00 0.00 57.16 52.36 3f93 n GLU 555 Cb 0.53 -2.53 0.34 0.00 -0.57 0.00 0.00 31.44 29.20 3f93 n GLU 555 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3f93 h GLY 556 N 5.60 1.68 -1.33 0.62 0.00 -1.45 -1.55 103.07 106.63 3f93 h GLY 556 Ca 0.21 -0.35 0.48 0.00 0.00 0.00 0.00 47.33 47.66 3f93 h GLY 556 CO 1.33 -0.04 1.09 0.83 0.00 0.00 0.00 176.54 179.76 3f93 h GLU 557 N 0.75 0.04 0.00 4.80 3.07 -1.78 0.15 114.58 121.61 3f93 h GLU 557 Ca 0.56 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.41 3f93 h GLU 557 Cb 0.90 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3f93 h GLU 557 CO -0.35 0.03 -0.06 0.78 -1.40 0.00 0.00 179.01 178.01 3f93 h GLY 558 N 0.04 0.00 0.68 -3.84 0.00 -1.54 0.12 103.07 98.52 3f93 h GLY 558 Ca 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.14 3f93 h GLY 558 CO -0.17 0.00 -0.16 -2.08 0.00 0.00 0.00 176.54 174.13 3f93 h VAL 559 N 0.00 0.65 -0.86 4.60 2.07 -0.89 -3.00 116.25 118.82 3f93 h VAL 559 Ca -0.00 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.06 3f93 h VAL 559 Cb 0.11 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3f93 h VAL 559 CO 0.01 0.10 0.56 0.00 0.02 0.00 0.00 177.57 178.26 3f93 h ALA 560 N -0.26 1.67 -0.45 1.67 0.00 -1.47 0.13 119.26 120.56 3f93 h ALA 560 Ca -0.05 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3f93 h ALA 560 Cb 0.51 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3f93 h ALA 560 CO 0.08 0.15 0.03 -0.44 0.00 0.00 0.00 179.25 179.07 3f93 h ASP 561 N 0.84 -0.12 0.14 0.00 3.32 -0.78 -1.30 116.42 118.52 3f93 h ASP 561 Ca 0.40 0.10 -0.24 0.00 0.02 0.00 0.00 57.03 57.31 3f93 h ASP 561 Cb 0.42 0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.14 3f93 h ASP 561 CO -0.17 -0.03 -1.15 0.58 -1.72 0.00 0.00 179.24 176.76 3f93 h VAL 562 N 0.15 1.27 0.00 -1.35 2.07 -1.20 -3.26 116.25 113.93 3f93 h VAL 562 Ca 0.23 -2.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 3f93 h VAL 562 Cb 0.32 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 3f93 h VAL 562 CO -0.35 0.72 -0.40 -0.07 0.02 0.00 0.00 177.57 177.49 3f93 h LEU 563 N -0.30 0.00 -9.50 2.57 3.38 -0.74 -3.43 115.31 107.28 3f93 h LEU 563 Ca -0.23 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.09 3f93 h LEU 563 Cb 1.74 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.38 3f93 h LEU 563 CO 0.12 0.40 -0.63 -0.76 0.09 0.00 0.00 178.44 177.66 3f93 s LEU 564 N -7.44 3.62 0.85 1.67 1.02 -0.50 -1.22 118.68 116.68 3f93 s LEU 564 Ca -0.01 -0.05 -0.12 0.00 0.02 0.00 0.00 54.13 53.97 3f93 s LEU 564 Cb 0.12 -2.25 0.10 0.00 0.02 0.00 0.00 46.19 44.18 3f93 s LEU 564 CO 0.70 0.21 1.12 0.42 0.02 0.00 0.00 176.35 178.82 3f93 s THR 565 N -1.27 2.51 1.06 5.49 -4.23 0.20 -4.36 115.64 115.04 3f93 s THR 565 Ca 0.25 0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.80 3f93 s THR 565 Cb -0.12 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 71.00 3f93 s THR 565 CO 0.17 -0.22 1.07 0.54 -0.54 0.00 0.00 174.62 175.65 3f93 s ASN 566 N -4.04 2.08 0.66 3.99 2.20 0.14 -4.21 114.94 115.76 3f93 s ASN 566 Ca 0.62 1.25 0.27 0.00 -0.94 0.00 0.00 52.86 54.06 3f93 s ASN 566 Cb -0.14 -1.95 1.48 0.00 -2.00 0.00 0.00 41.25 38.64 3f93 s ASN 566 CO 0.53 -3.48 1.83 0.11 -2.94 0.00 0.00 177.10 173.15 3f93 h LYS 567 N -2.13 0.00 -0.11 3.55 1.57 -1.94 -1.42 116.57 116.08 3f93 h LYS 567 Ca -0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3f93 h LYS 567 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3f93 h LYS 567 CO 0.56 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.48 3f93 n GLN 568 N -2.84 1.59 -1.10 3.15 1.13 -1.26 -4.92 117.38 113.13 3f93 n GLN 568 Ca -0.02 -0.88 -0.04 0.00 -1.94 0.00 0.00 57.00 54.13 3f93 n GLN 568 Cb 0.43 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 3f93 n GLN 568 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f93 n GLY 569 N 1.08 0.62 3.75 1.08 0.00 -0.54 -5.03 105.19 106.16 3f93 n GLY 569 Ca 0.17 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3f93 n GLY 569 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f93 s LYS 570 N -1.62 2.75 -0.06 1.61 1.02 -1.26 -4.85 119.74 117.32 3f93 s LYS 570 Ca 0.00 -0.84 -0.35 0.00 0.02 0.00 0.00 55.97 54.80 3f93 s LYS 570 Cb 0.00 -2.61 -0.13 0.00 -0.52 0.00 0.00 37.83 34.58 3f93 s LYS 570 CO 0.00 0.52 1.79 2.41 -0.92 0.00 0.00 175.35 179.14 3f93 n THR 571 N 0.13 0.42 -0.09 2.17 -1.04 -1.26 -0.69 114.28 113.92 3f93 n THR 571 Ca -0.09 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.05 61.70 3f93 n THR 571 Cb 0.53 -1.70 -0.07 0.00 -1.82 0.00 0.00 70.33 67.28 3f93 n THR 571 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3f93 n GLN 572 N 5.72 0.52 -4.85 -2.82 10.64 -1.26 -4.80 117.38 120.53 3f93 n GLN 572 Ca 0.22 0.53 -0.25 0.00 -1.83 0.00 0.00 57.00 55.67 3f93 n GLN 572 Cb 0.27 -1.70 -0.15 0.00 -0.86 0.00 0.00 30.24 27.79 3f93 n GLN 572 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3f93 s PHE 573 N -2.33 1.65 0.21 2.61 0.08 -1.23 -5.06 117.98 113.90 3f93 s PHE 573 Ca -0.23 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.52 3f93 s PHE 573 Cb 0.05 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3f93 s PHE 573 CO 0.42 -0.02 0.36 0.34 -0.10 0.00 0.00 175.22 176.23 3f93 s ASP 574 N -0.52 6.34 0.30 1.36 -1.08 -1.26 -4.56 116.67 117.25 3f93 s ASP 574 Ca 0.07 0.24 -0.29 0.00 -0.52 0.00 0.00 52.55 52.04 3f93 s ASP 574 Cb -0.07 -1.94 -0.10 0.00 -1.46 0.00 0.00 42.92 39.35 3f93 s ASP 574 CO -0.00 -0.05 1.44 -0.36 0.52 0.00 0.00 175.17 176.72 3f93 s PHE 575 N -1.91 2.90 0.00 -5.34 0.40 -1.26 -4.91 117.98 107.87 3f93 s PHE 575 Ca 0.36 1.11 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 3f93 s PHE 575 Cb -0.10 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.57 3f93 s PHE 575 CO 0.30 -2.67 0.01 0.25 0.70 0.00 0.00 175.22 173.81 3f93 n THR 576 N 1.58 0.00 -2.34 0.64 -2.24 -1.26 -4.73 114.28 105.93 3f93 n THR 576 Ca 0.04 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3f93 n THR 576 Cb 0.40 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3f93 n THR 576 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3f93 s GLY 577 N -0.54 2.29 -0.12 3.38 0.00 -1.21 -4.92 107.32 106.20 3f93 s GLY 577 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 3f93 s GLY 577 CO 0.00 2.12 -0.03 0.54 0.00 0.00 0.00 173.10 175.74 3f93 s LYS 578 N 1.01 3.30 -0.26 2.90 -0.14 -0.93 -4.44 119.74 121.17 3f93 s LYS 578 Ca 0.60 -0.48 -0.42 0.00 -1.36 0.00 0.00 55.97 54.31 3f93 s LYS 578 Cb -0.32 -2.83 -0.19 0.00 -1.68 0.00 0.00 37.83 32.81 3f93 s LYS 578 CO 0.30 0.47 1.31 -0.11 -0.76 0.00 0.00 175.35 176.55 3f93 n LEU 579 N 2.85 0.63 -0.91 3.17 7.94 0.36 -4.16 117.00 126.88 3f93 n LEU 579 Ca -0.18 1.13 0.09 0.00 -1.11 0.00 0.00 56.01 55.94 3f93 n LEU 579 Cb 0.53 -0.86 0.18 0.00 0.53 0.00 0.00 43.42 43.79 3f93 n LEU 579 CO 0.30 -1.27 0.64 -1.54 -1.11 0.00 0.00 177.39 174.41 3f93 n SER 580 N 2.75 3.10 -3.94 1.96 3.41 -1.26 -1.43 113.62 118.20 3f93 n SER 580 Ca 0.25 -1.90 -0.12 0.00 -0.26 0.00 0.00 58.87 56.84 3f93 n SER 580 Cb 0.00 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 3f93 n SER 580 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3f93 s PHE 581 N -1.21 0.23 0.26 7.33 0.08 -1.26 -2.67 117.98 120.74 3f93 s PHE 581 Ca 0.31 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.82 3f93 s PHE 581 Cb 0.18 -0.15 -0.09 0.00 -0.57 0.00 0.00 43.02 42.38 3f93 s PHE 581 CO 0.24 -0.07 1.15 -1.12 -0.10 0.00 0.00 175.22 175.32 3f93 s SER 582 N -0.68 7.16 -0.26 1.36 0.01 -1.26 -4.63 113.70 115.40 3f93 s SER 582 Ca -0.06 2.31 -0.14 0.00 1.31 0.00 0.00 55.95 59.37 3f93 s SER 582 Cb -0.05 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 3f93 s SER 582 CO -0.00 -0.25 0.33 0.86 0.41 0.00 0.00 173.24 174.60 3f93 s TRP 583 N -0.90 3.27 0.30 2.43 -0.11 -0.53 -4.83 118.94 118.58 3f93 s TRP 583 Ca 0.47 0.39 -0.29 0.00 1.22 0.00 0.00 56.10 57.89 3f93 s TRP 583 Cb -0.33 -2.51 -0.10 0.00 -1.50 0.00 0.00 33.47 29.03 3f93 s TRP 583 CO 0.42 -0.15 1.32 -1.25 -4.62 0.00 0.00 176.95 172.67 3f93 s PRO 584 N 1.79 4.35 -0.02 5.86 0.04 -1.26 0.86 135.00 146.63 3f93 s PRO 584 Ca 0.14 2.20 0.14 0.00 0.04 0.00 0.00 61.00 63.52 3f93 s PRO 584 Cb -0.15 -3.09 -0.20 0.00 0.04 0.00 0.00 34.50 31.09 3f93 s PRO 584 CO 0.09 -0.22 0.68 1.17 0.04 0.00 0.00 177.00 178.76 3f93 n LYS 585 N 1.22 0.63 -4.41 4.56 4.81 -1.26 -4.33 118.16 119.38 3f93 n LYS 585 Ca 0.02 0.25 -0.28 0.00 -0.87 0.00 0.00 58.31 57.43 3f93 n LYS 585 Cb 0.42 -1.78 -0.12 0.00 0.02 0.00 0.00 35.03 33.56 3f93 n LYS 585 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3f93 s TYR 586 N -2.71 2.29 -1.89 5.64 2.02 -1.26 -4.95 117.35 116.50 3f93 s TYR 586 Ca -0.04 -0.37 0.16 0.00 -0.37 0.00 0.00 57.07 56.44 3f93 s TYR 586 Cb 0.08 -1.18 0.90 0.00 -0.40 0.00 0.00 41.96 41.36 3f93 s TYR 586 CO 0.82 0.43 1.36 -0.40 -1.57 0.00 0.00 175.55 176.20 3f93 n ASP 587 N 0.54 0.00 -0.63 2.29 5.75 -1.26 -2.44 116.55 120.80 3f93 n ASP 587 Ca -0.15 -0.38 0.05 0.00 -0.01 0.00 0.00 54.79 54.30 3f93 n ASP 587 Cb 0.55 -0.06 0.09 0.00 -1.03 0.00 0.00 41.12 40.67 3f93 n ASP 587 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3f93 n ASP 588 N -1.06 1.21 -3.76 -1.12 5.75 -1.26 -3.42 116.55 112.89 3f93 n ASP 588 Ca 0.11 -2.69 -0.42 0.00 -0.01 0.00 0.00 54.79 51.78 3f93 n ASP 588 Cb 0.07 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 3f93 n ASP 588 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f93 n GLN 589 N -0.51 3.45 0.11 0.11 6.02 -1.02 -4.78 117.38 120.76 3f93 n GLN 589 Ca 0.10 -3.16 -0.04 0.00 -0.01 0.00 0.00 57.00 53.89 3f93 n GLN 589 Cb 0.78 -3.01 0.10 0.00 1.02 0.00 0.00 30.24 29.13 3f93 n GLN 589 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3f93 h PHE 590 N 5.70 0.13 -3.71 1.08 0.04 -1.90 -3.36 116.94 114.93 3f93 h PHE 590 Ca 0.50 -0.06 -0.67 0.00 2.80 0.00 0.00 57.97 60.53 3f93 h PHE 590 Cb 0.59 -0.02 -0.37 0.00 2.20 0.00 0.00 35.95 38.35 3f93 h PHE 590 CO 1.38 0.75 -0.70 0.95 -0.60 0.00 0.00 178.31 180.09 3f93 s THR 591 N -3.51 2.61 -0.33 -1.55 -4.23 -1.26 -3.27 115.64 104.10 3f93 s THR 591 Ca -0.02 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3f93 s THR 591 Cb 0.12 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 71.37 3f93 s THR 591 CO 0.79 -0.38 0.19 -0.22 -0.54 0.00 0.00 174.62 174.46 3f93 s LEU 592 N 1.07 0.77 0.02 4.79 2.96 -1.26 -5.09 118.68 121.93 3f93 s LEU 592 Ca 0.02 -1.82 0.05 0.00 -0.22 0.00 0.00 54.13 52.16 3f93 s LEU 592 Cb -0.20 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 3f93 s LEU 592 CO -0.05 -0.36 -0.15 0.20 -1.32 0.00 0.00 176.35 174.67 3f93 s ASN 593 N 1.48 1.77 0.32 3.68 0.01 -1.26 -4.32 114.94 116.62 3f93 s ASN 593 Ca 0.15 -0.37 -0.20 0.00 -0.71 0.00 0.00 52.86 51.73 3f93 s ASN 593 Cb -0.20 -0.16 -0.14 0.00 0.41 0.00 0.00 41.25 41.16 3f93 s ASN 593 CO -0.13 0.12 0.14 -0.11 -1.51 0.00 0.00 177.10 175.61 3f93 n LEU 594 N 2.30 -2.26 0.00 0.60 7.94 -1.26 -1.41 117.00 122.91 3f93 n LEU 594 Ca -0.16 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 3f93 n LEU 594 Cb 0.55 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.72 3f93 n LEU 594 CO 0.24 -3.48 0.00 0.59 -1.11 0.00 0.00 177.39 173.63 3f93 n ASN 595 N 1.99 -2.73 -4.75 1.96 3.02 -1.26 -4.97 115.26 108.52 3f93 n ASN 595 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 3f93 n ASN 595 Cb 0.33 -2.19 0.04 0.00 -0.61 0.00 0.00 39.78 37.35 3f93 n ASN 595 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3f93 s ASP 596 N -2.14 5.20 0.14 6.41 1.01 -0.50 -4.93 116.67 121.86 3f93 s ASP 596 Ca 0.00 2.65 -0.14 0.00 0.71 0.00 0.00 52.55 55.77 3f93 s ASP 596 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.31 3f93 s ASP 596 CO 0.00 -1.61 1.61 0.00 0.21 0.00 0.00 175.17 175.39 3f93 h ALA 597 N 1.26 0.61 -3.01 5.23 0.00 -1.93 -3.35 119.26 118.07 3f93 h ALA 597 Ca -0.51 -0.24 -0.71 0.00 0.00 0.00 0.00 54.91 53.45 3f93 h ALA 597 Cb 1.30 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.59 3f93 h ALA 597 CO 0.56 0.36 -0.44 0.34 0.00 0.00 0.00 179.25 180.08 3f93 s ASP 598 N -6.21 5.42 -0.33 0.00 3.68 -1.26 -5.04 116.67 112.92 3f93 s ASP 598 Ca -0.13 -2.24 0.02 0.00 2.13 0.00 0.00 52.55 52.33 3f93 s ASP 598 Cb 0.11 -1.89 0.09 0.00 -1.45 0.00 0.00 42.92 39.77 3f93 s ASP 598 CO 0.80 -0.54 0.04 -0.47 0.13 0.00 0.00 175.17 175.13 3f93 s TYR 599 N 0.85 3.55 -0.47 -5.34 6.04 -1.26 -4.96 117.35 115.76 3f93 s TYR 599 Ca 0.10 -2.57 0.09 0.00 0.04 0.00 0.00 57.07 54.72 3f93 s TYR 599 Cb -0.23 -2.64 0.35 0.00 -1.04 0.00 0.00 41.96 38.40 3f93 s TYR 599 CO -0.03 -0.92 0.86 -3.47 -1.54 0.00 0.00 175.55 170.45 3f93 n ASP 600 N 4.41 2.79 -4.88 4.32 2.03 -1.26 -5.10 116.55 118.86 3f93 n ASP 600 Ca -0.04 -3.36 -0.30 0.00 0.52 0.00 0.00 54.79 51.61 3f93 n ASP 600 Cb 0.42 -0.58 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 3f93 n ASP 600 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3f93 s PRO 601 N -3.01 3.35 0.09 -0.67 0.04 -1.26 -4.44 135.00 129.10 3f93 s PRO 601 Ca 0.44 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.86 3f93 s PRO 601 Cb 0.32 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 3f93 s PRO 601 CO -0.11 -0.65 1.50 1.25 0.04 0.00 0.00 177.00 179.03 3f93 h LEU 602 N -0.32 0.55 -7.46 -3.56 5.85 0.28 -3.43 115.31 107.22 3f93 h LEU 602 Ca -0.45 -0.36 -0.45 0.00 0.84 0.00 0.00 57.88 57.47 3f93 h LEU 602 Cb 1.21 -0.15 -0.38 0.00 0.37 0.00 0.00 40.66 41.71 3f93 h LEU 602 CO 0.62 0.78 -0.77 -0.36 -0.34 0.00 0.00 178.44 178.37 3f93 s PHE 603 N -4.80 0.70 0.84 1.25 0.08 -1.10 -4.99 117.98 109.96 3f93 s PHE 603 Ca -0.13 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 3f93 s PHE 603 Cb 0.08 -0.83 0.10 0.00 -0.57 0.00 0.00 43.02 41.80 3f93 s PHE 603 CO 0.77 -0.36 1.16 0.00 -0.10 0.00 0.00 175.22 176.70 3f93 s ALA 604 N 1.96 1.78 0.04 5.36 0.00 -1.26 -1.45 121.76 128.18 3f93 s ALA 604 Ca 0.04 0.66 -0.35 0.00 0.00 0.00 0.00 51.96 52.32 3f93 s ALA 604 Cb -0.13 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.41 3f93 s ALA 604 CO -0.06 -2.36 1.61 0.98 0.00 0.00 0.00 175.76 175.94 3f93 n TYR 605 N -3.64 2.08 0.00 0.00 9.36 -1.26 -1.16 117.16 122.54 3f93 n TYR 605 Ca 0.12 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.66 3f93 n TYR 605 Cb 0.51 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 3f93 n TYR 605 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3f93 n GLY 606 N 3.52 0.49 3.76 2.98 0.00 -0.52 -5.01 105.19 110.41 3f93 n GLY 606 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3f93 n GLY 606 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f93 s TYR 607 N -2.00 3.49 -0.30 1.61 6.14 -0.31 -4.63 117.35 121.35 3f93 s TYR 607 Ca 0.00 1.63 -0.17 0.00 0.64 0.00 0.00 57.07 59.17 3f93 s TYR 607 Cb 0.00 -3.35 0.18 0.00 0.42 0.00 0.00 41.96 39.20 3f93 s TYR 607 CO 0.00 -0.80 1.17 0.20 0.64 0.00 0.00 175.55 176.76 3f93 s GLY 608 N -0.68 -0.06 0.52 8.97 0.00 -1.26 -0.49 107.32 114.32 3f93 s GLY 608 Ca 0.46 3.18 -0.19 0.00 0.00 0.00 0.00 44.72 48.17 3f93 s GLY 608 CO 0.42 3.69 1.07 1.08 0.00 0.00 0.00 173.10 179.36 3f93 s LEU 609 N 2.66 3.75 0.36 0.66 1.43 0.11 -4.91 118.68 122.75 3f93 s LEU 609 Ca -0.04 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.11 3f93 s LEU 609 Cb -0.07 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.52 3f93 s LEU 609 CO -0.12 -1.00 0.03 0.42 0.23 0.00 0.00 176.35 175.92 3f93 s THR 610 N -1.99 1.56 -0.84 5.49 -4.23 -1.26 -4.26 115.64 110.11 3f93 s THR 610 Ca 0.68 -2.01 0.15 0.00 -1.18 0.00 0.00 61.69 59.34 3f93 s THR 610 Cb -0.19 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 70.94 3f93 s THR 610 CO 0.25 -0.02 1.48 -1.22 -0.54 0.00 0.00 174.62 174.57 3f93 n TYR 611 N -0.79 0.23 1.76 3.99 0.53 -1.26 -1.47 117.16 120.15 3f93 n TYR 611 Ca -0.04 0.09 0.15 0.00 -1.02 0.00 0.00 57.90 57.09 3f93 n TYR 611 Cb 0.66 -0.65 0.80 0.00 -1.03 0.00 0.00 39.34 39.13 3f93 n TYR 611 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3f93 n GLN 612 N -1.71 1.00 -3.78 -0.72 1.13 -1.26 -4.86 117.38 107.17 3f93 n GLN 612 Ca 0.03 -0.20 -0.32 0.00 -1.94 0.00 0.00 57.00 54.56 3f93 n GLN 612 Cb 0.16 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 3f93 n GLN 612 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3f93 s ASP 613 N -2.14 6.45 -0.39 1.08 1.01 -0.54 -5.03 116.67 117.11 3f93 s ASP 613 Ca 0.41 0.48 0.09 0.00 0.71 0.00 0.00 52.55 54.24 3f93 s ASP 613 Cb 0.21 -2.05 0.44 0.00 1.01 0.00 0.00 42.92 42.53 3f93 s ASP 613 CO 0.39 0.16 1.07 0.59 0.21 0.00 0.00 175.17 177.59 3f93 n ASN 614 N 0.53 3.68 -4.43 0.27 5.03 -1.26 -4.94 115.26 114.14 3f93 n ASN 614 Ca -0.06 -3.38 -0.35 0.00 0.87 0.00 0.00 54.58 51.66 3f93 n ASN 614 Cb 0.52 -0.47 -0.13 0.00 -1.02 0.00 0.00 39.78 38.68 3f93 n ASN 614 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3f93 s ILE 615 N -4.73 3.87 0.05 2.41 1.01 -1.26 -5.06 121.20 117.48 3f93 s ILE 615 Ca 0.41 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 3f93 s ILE 615 Cb 0.42 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3f93 s ILE 615 CO -0.11 0.43 0.57 0.20 0.00 0.00 0.00 174.94 176.03 3f93 s ASN 616 N 1.00 7.02 -0.06 3.58 0.01 -1.26 -4.53 114.94 120.71 3f93 s ASN 616 Ca 0.01 1.22 -0.20 0.00 -0.71 0.00 0.00 52.86 53.18 3f93 s ASN 616 Cb -0.14 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 3f93 s ASN 616 CO 0.01 0.23 0.58 -0.69 -1.51 0.00 0.00 177.10 175.72 3f93 s VAL 617 N -0.84 5.05 0.95 1.60 1.01 -1.26 -5.07 120.40 121.85 3f93 s VAL 617 Ca 0.29 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 63.32 3f93 s VAL 617 Cb -0.19 -3.91 0.17 0.00 0.00 0.00 0.00 36.38 32.44 3f93 s VAL 617 CO 0.18 0.35 1.17 -2.16 0.00 0.00 0.00 175.10 174.64 3f93 s PRO 618 N 0.33 0.78 0.21 2.72 0.04 -1.26 -4.98 135.00 132.85 3f93 s PRO 618 Ca 0.31 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 61.14 3f93 s PRO 618 Cb -0.17 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3f93 s PRO 618 CO 0.15 -2.41 1.64 0.08 0.04 0.00 0.00 177.00 176.50 3f93 s VAL 619 N -3.37 2.23 0.10 -0.36 1.01 -1.26 -4.96 120.40 113.80 3f93 s VAL 619 Ca 0.66 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.84 3f93 s VAL 619 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3f93 s VAL 619 CO 0.53 0.02 0.18 -0.76 0.00 0.00 0.00 175.10 175.07 3f93 s LEU 620 N 0.78 4.13 0.27 3.92 1.02 -1.26 -5.08 118.68 122.46 3f93 s LEU 620 Ca 0.71 0.12 -0.30 0.00 0.02 0.00 0.00 54.13 54.68 3f93 s LEU 620 Cb -0.47 -2.75 -0.10 0.00 0.02 0.00 0.00 46.19 42.89 3f93 s LEU 620 CO 0.35 0.13 1.43 -0.55 0.02 0.00 0.00 176.35 177.73 3f93 s SER 621 N -2.74 6.63 -0.09 2.29 0.15 -1.26 -4.92 113.70 113.77 3f93 s SER 621 Ca 0.33 2.71 0.13 0.00 0.70 0.00 0.00 55.95 59.82 3f93 s SER 621 Cb -0.12 -2.63 0.33 0.00 -1.71 0.00 0.00 66.02 61.89 3f93 s SER 621 CO 0.26 -0.70 1.25 -0.62 1.20 0.00 0.00 173.24 174.62 3f93 n GLU 622 N 1.99 2.57 -2.25 5.44 1.02 -1.26 -4.75 120.64 123.39 3f93 n GLU 622 Ca 0.06 -2.36 -0.43 0.00 -0.02 0.00 0.00 57.16 54.41 3f93 n GLU 622 Cb 0.40 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 3f93 n GLU 622 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3f93 s LYS 623 N -2.06 3.98 0.38 3.49 2.20 -1.26 -4.98 119.74 121.49 3f93 s LYS 623 Ca 0.28 1.63 -0.19 0.00 -0.36 0.00 0.00 55.97 57.32 3f93 s LYS 623 Cb 0.21 -3.92 -0.10 0.00 -1.51 0.00 0.00 37.83 32.51 3f93 s LYS 623 CO 0.08 -1.05 0.87 0.95 -0.36 0.00 0.00 175.35 175.84 3f93 s THR 624 N 4.42 4.48 0.17 3.43 -4.23 -1.26 -4.83 115.64 117.83 3f93 s THR 624 Ca 0.64 1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 62.28 3f93 s THR 624 Cb -0.23 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 3f93 s THR 624 CO 0.24 -0.23 0.65 -0.94 -0.54 0.00 0.00 174.62 173.80 3f93 s SER 625 N -2.16 7.00 1.02 3.99 1.04 -1.26 -5.10 113.70 118.24 3f93 s SER 625 Ca 0.58 1.30 -0.13 0.00 0.48 0.00 0.00 55.95 58.18 3f93 s SER 625 Cb -0.10 -2.37 0.20 0.00 0.10 0.00 0.00 66.02 63.85 3f93 s SER 625 CO 0.15 0.10 1.09 -2.16 0.98 0.00 0.00 173.24 173.41 3f93 s PRO 626 N -1.79 0.24 0.00 4.02 0.04 -1.26 -5.06 135.00 131.19 3f93 s PRO 626 Ca 0.39 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.92 3f93 s PRO 626 Cb -0.17 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3f93 s PRO 626 CO 0.20 -2.85 0.00 -1.13 0.04 0.00 0.00 177.00 173.26 3f93 n SER 634 N -4.26 0.00 -4.15 6.66 3.41 -1.26 -5.23 113.62 108.79 3f93 n SER 634 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 3f93 n SER 634 Cb 0.57 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 3f93 n SER 634 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3f93 s HIS 635 N -2.72 3.32 0.10 7.33 5.65 0.19 -5.00 115.29 124.16 3f93 s HIS 635 Ca 0.00 -2.04 -0.31 0.00 0.25 0.00 0.00 55.06 52.97 3f93 s HIS 635 Cb 0.00 -2.24 -0.07 0.00 -1.18 0.00 0.00 32.58 29.10 3f93 s HIS 635 CO 0.00 -0.84 1.25 -2.14 -0.65 0.00 0.00 174.74 172.36 3f93 s PRO 636 N 1.21 4.41 -0.21 2.88 0.02 -1.26 -0.27 135.00 141.78 3f93 s PRO 636 Ca -0.04 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 62.74 3f93 s PRO 636 Cb -0.20 -3.30 -0.09 0.00 0.02 0.00 0.00 34.50 30.93 3f93 s PRO 636 CO -0.02 -0.27 -0.27 1.28 -0.33 0.00 0.00 177.00 177.39 3f93 n LEU 637 N 3.69 1.46 -3.46 -5.54 4.77 0.14 -4.71 117.00 113.36 3f93 n LEU 637 Ca 0.09 0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 3f93 n LEU 637 Cb 0.45 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.81 3f93 n LEU 637 CO 0.56 0.43 -0.32 0.12 -1.33 0.00 0.00 177.39 176.86 3f93 s PHE 638 N -2.38 0.72 -0.36 -1.77 5.36 0.14 -1.46 117.98 118.24 3f93 s PHE 638 Ca -0.29 -1.62 0.00 0.00 -0.96 0.00 0.00 56.93 54.06 3f93 s PHE 638 Cb 0.11 -0.92 0.09 0.00 -0.34 0.00 0.00 43.02 41.97 3f93 s PHE 638 CO 0.37 -0.83 0.09 0.08 -1.46 0.00 0.00 175.22 173.47 3f93 s VAL 639 N 1.07 2.80 0.00 3.12 1.01 -1.26 -1.37 120.40 125.77 3f93 s VAL 639 Ca 0.18 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.14 3f93 s VAL 639 Cb -0.23 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3f93 s VAL 639 CO 0.01 -0.52 0.00 0.54 0.00 0.00 0.00 175.10 175.13 3f93 n ARG 640 N 4.46 0.00 -3.70 2.72 1.74 -1.26 -4.81 116.66 115.81 3f93 n ARG 640 Ca -0.03 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 3f93 n ARG 640 Cb 0.42 -0.66 -0.02 0.00 -1.02 0.00 0.00 32.46 31.18 3f93 n ARG 640 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f93 s SER 641 N -0.00 -0.32 0.08 0.55 1.04 -1.26 -4.53 113.70 109.25 3f93 s SER 641 Ca 0.00 -0.36 -0.34 0.00 0.48 0.00 0.00 55.95 55.72 3f93 s SER 641 Cb 0.00 0.61 -0.13 0.00 0.10 0.00 0.00 66.02 66.59 3f93 s SER 641 CO 0.00 -1.08 1.66 0.18 0.98 0.00 0.00 173.24 174.98 3f93 n LEU 642 N -0.42 3.13 -4.78 2.42 4.77 -1.26 -4.49 117.00 116.36 3f93 n LEU 642 Ca -0.08 1.05 -0.32 0.00 -0.03 0.00 0.00 56.01 56.63 3f93 n LEU 642 Cb 0.61 -1.40 0.05 0.00 -2.33 0.00 0.00 43.42 40.35 3f93 n LEU 642 CO 0.14 -0.25 0.73 0.00 -1.33 0.00 0.00 177.39 176.67 3f93 s ALA 643 N 1.89 2.50 0.55 -1.18 0.00 -0.54 -4.93 121.76 120.04 3f93 s ALA 643 Ca 0.83 0.43 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 3f93 s ALA 643 Cb -0.70 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.05 3f93 s ALA 643 CO 0.43 -1.27 0.53 1.17 0.00 0.00 0.00 175.76 176.62 3f93 n LYS 644 N -2.60 0.54 -0.56 0.00 3.00 -1.26 -1.89 118.16 115.39 3f93 n LYS 644 Ca 0.10 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 3f93 n LYS 644 Cb 0.52 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.88 3f93 n LYS 644 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3f93 n ASN 645 N 0.62 0.00 -4.53 3.14 5.15 -1.26 -5.00 115.26 113.37 3f93 n ASN 645 Ca 0.11 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.79 3f93 n ASN 645 Cb 0.46 -0.18 -0.11 0.00 -0.53 0.00 0.00 39.78 39.42 3f93 n ASN 645 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3f93 s MET 646 N -0.05 2.22 -0.01 1.20 -1.94 -0.79 0.15 119.30 120.08 3f93 s MET 646 Ca 0.00 -0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 52.93 3f93 s MET 646 Cb 0.00 -2.31 0.02 0.00 2.01 0.00 0.00 34.83 34.54 3f93 s MET 646 CO 0.00 0.55 0.26 -0.08 -0.01 0.00 0.00 175.02 175.74 3f93 s THR 647 N -1.03 0.07 0.28 2.05 -1.32 -0.76 -4.80 115.64 110.12 3f93 s THR 647 Ca 0.17 -0.55 -0.19 0.00 -1.21 0.00 0.00 61.69 59.91 3f93 s THR 647 Cb -0.11 -0.57 -0.09 0.00 -1.51 0.00 0.00 72.50 70.22 3f93 s THR 647 CO 0.08 -0.30 0.78 0.26 -2.21 0.00 0.00 174.62 173.23 3f93 s TRP 648 N -1.39 3.55 -0.06 9.09 0.52 -0.60 -1.08 118.94 128.98 3f93 s TRP 648 Ca -0.14 1.41 0.03 0.00 0.02 0.00 0.00 56.10 57.42 3f93 s TRP 648 Cb -0.06 -2.65 0.01 0.00 -1.15 0.00 0.00 33.47 29.62 3f93 s TRP 648 CO 0.03 0.22 -0.13 -0.65 0.02 0.00 0.00 176.95 176.44 3f93 s GLN 649 N -2.36 1.65 -0.20 4.98 -0.21 0.17 -1.24 119.66 122.46 3f93 s GLN 649 Ca 0.49 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 55.45 3f93 s GLN 649 Cb -0.14 -1.38 0.04 0.00 1.00 0.00 0.00 33.01 32.52 3f93 s GLN 649 CO 0.20 0.06 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.79 3f93 s LEU 650 N 0.54 2.32 -0.23 2.90 1.02 -0.83 0.31 118.68 124.72 3f93 s LEU 650 Ca -0.12 -0.86 0.02 0.00 0.02 0.00 0.00 54.13 53.18 3f93 s LEU 650 Cb -0.15 -1.31 0.05 0.00 0.02 0.00 0.00 46.19 44.81 3f93 s LEU 650 CO 0.03 -0.12 -0.10 0.00 0.02 0.00 0.00 176.35 176.19 3f93 s ALA 651 N 1.35 2.25 0.64 4.21 0.00 0.30 -1.69 121.76 128.81 3f93 s ALA 651 Ca -0.00 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.50 3f93 s ALA 651 Cb -0.16 -1.44 0.10 0.00 0.00 0.00 0.00 23.12 21.61 3f93 s ALA 651 CO -0.09 -1.05 0.88 0.16 0.00 0.00 0.00 175.76 175.66 3f93 s ASP 652 N 1.27 4.76 0.00 0.00 -4.77 -1.26 -0.58 116.67 116.09 3f93 s ASP 652 Ca -0.05 -0.43 0.22 0.00 -3.30 0.00 0.00 52.55 48.98 3f93 s ASP 652 Cb -0.18 -0.11 0.56 0.00 -1.09 0.00 0.00 42.92 42.10 3f93 s ASP 652 CO -0.07 -1.55 1.46 0.35 0.70 0.00 0.00 175.17 176.06 3f93 n THR 653 N -2.55 0.37 -0.22 2.11 -2.24 -1.26 -4.21 114.28 106.28 3f93 n THR 653 Ca 0.14 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3f93 n THR 653 Cb 0.61 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3f93 n THR 653 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3f93 n SER 654 N 0.94 0.67 -3.77 3.42 3.41 -1.26 -5.09 113.62 111.94 3f93 n SER 654 Ca 0.18 -0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 57.76 3f93 n SER 654 Cb 0.47 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 3f93 n SER 654 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3f93 s THR 655 N -0.08 0.03 0.84 6.66 -4.23 -1.26 -4.99 115.64 112.61 3f93 s THR 655 Ca 0.00 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.51 3f93 s THR 655 Cb 0.00 -1.65 0.09 0.00 1.34 0.00 0.00 72.50 72.28 3f93 s THR 655 CO 0.00 -0.12 1.11 0.00 -0.54 0.00 0.00 174.62 175.06 3f93 n GLN 656 N -0.34 -0.00 -1.32 3.99 3.00 -1.26 -4.39 117.38 117.06 3f93 n GLN 656 Ca -0.09 0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.61 3f93 n GLN 656 Cb 0.62 -2.36 0.08 0.00 0.00 0.00 0.00 30.24 28.58 3f93 n GLN 656 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3f93 n LYS 657 N -3.31 0.42 -4.10 -1.09 5.02 -1.26 -4.37 118.16 109.47 3f93 n LYS 657 Ca 0.13 0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 56.28 3f93 n LYS 657 Cb 0.51 -2.04 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 3f93 n LYS 657 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3f93 s VAL 658 N -1.85 1.99 -0.31 -0.18 1.01 -0.68 -4.96 120.40 115.41 3f93 s VAL 658 Ca 0.70 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3f93 s VAL 658 Cb -0.35 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3f93 s VAL 658 CO 0.54 0.50 0.78 -0.76 0.00 0.00 0.00 175.10 176.16 3f93 s LEU 659 N 1.31 4.09 -0.13 3.92 1.02 -1.26 -1.97 118.68 125.67 3f93 s LEU 659 Ca 0.04 0.61 0.02 0.00 0.02 0.00 0.00 54.13 54.83 3f93 s LEU 659 Cb -0.13 -3.06 0.01 0.00 0.02 0.00 0.00 46.19 43.03 3f93 s LEU 659 CO -0.12 -0.62 -0.20 0.00 0.02 0.00 0.00 176.35 175.43 3f93 s ALA 660 N 2.96 2.04 -1.14 4.21 0.00 -0.37 -4.98 121.76 124.48 3f93 s ALA 660 Ca 0.32 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.43 3f93 s ALA 660 Cb -0.14 -0.93 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3f93 s ALA 660 CO 0.13 -0.04 0.73 -1.13 0.00 0.00 0.00 175.76 175.45 3f93 n SER 661 N 4.11 1.50 0.00 0.00 3.41 -1.26 -1.55 113.62 119.82 3f93 n SER 661 Ca -0.20 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 3f93 n SER 661 Cb 0.51 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3f93 n SER 661 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f93 n GLY 662 N 0.83 2.46 0.08 5.00 0.00 -1.26 -4.84 105.19 107.47 3f93 n GLY 662 Ca 0.05 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 3f93 n GLY 662 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 h ALA 663 N -0.71 0.71 -2.46 4.61 0.00 -1.96 -3.48 119.26 115.98 3f93 h ALA 663 Ca 0.00 -1.39 -0.27 0.00 0.00 0.00 0.00 54.91 53.25 3f93 h ALA 663 Cb 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 17.79 18.03 3f93 h ALA 663 CO 0.00 1.54 -0.71 -1.54 0.00 0.00 0.00 179.25 178.54 3f93 s SER 664 N -6.18 1.32 -0.04 0.00 1.04 -1.26 -2.59 113.70 105.99 3f93 s SER 664 Ca -0.04 -0.91 -0.31 0.00 0.48 0.00 0.00 55.95 55.17 3f93 s SER 664 Cb 0.08 0.05 0.12 0.00 0.10 0.00 0.00 66.02 66.37 3f93 s SER 664 CO 0.82 -0.36 1.21 0.00 0.98 0.00 0.00 173.24 175.90 3f93 s ALA 665 N -3.03 -2.11 0.39 5.32 0.00 -0.87 -4.94 121.76 116.52 3f93 s ALA 665 Ca 0.09 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.97 3f93 s ALA 665 Cb 0.01 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.34 3f93 s ALA 665 CO -0.02 -0.93 0.02 0.95 0.00 0.00 0.00 175.76 175.79 3f93 s THR 666 N -2.55 1.73 0.16 0.00 -4.23 -1.26 0.26 115.64 109.75 3f93 s THR 666 Ca 0.12 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3f93 s THR 666 Cb 0.02 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3f93 s THR 666 CO -0.04 0.00 0.17 -1.54 -0.54 0.00 0.00 174.62 172.67 3f93 n SER 667 N -0.92 -0.72 0.20 3.99 3.41 0.25 -4.88 113.62 114.96 3f93 n SER 667 Ca -0.05 -0.77 0.05 0.00 -0.26 0.00 0.00 58.87 57.84 3f93 n SER 667 Cb 0.67 -0.14 0.43 0.00 -0.26 0.00 0.00 64.21 64.91 3f93 n SER 667 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3f93 h GLY 668 N -0.61 0.00 -0.89 5.00 0.00 -1.80 -2.70 103.07 102.07 3f93 h GLY 668 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3f93 h GLY 668 CO 0.04 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.67 3f93 n ASP 669 N -3.90 1.84 0.00 0.19 5.68 -1.26 -4.93 116.55 114.16 3f93 n ASP 669 Ca -0.02 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 3f93 n ASP 669 Cb 0.39 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3f93 n ASP 669 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3f93 n LYS 670 N 0.43 -0.84 0.00 0.11 4.76 -1.02 -4.68 118.16 116.91 3f93 n LYS 670 Ca 0.17 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 3f93 n LYS 670 Cb 0.37 -4.01 0.00 0.00 -1.84 0.00 0.00 35.03 29.56 3f93 n LYS 670 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3f93 n GLN 671 N -1.06 0.35 -0.07 1.97 6.02 -1.26 -4.88 117.38 118.46 3f93 n GLN 671 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3f93 n GLN 671 Cb 0.21 -0.63 -0.05 0.00 1.02 0.00 0.00 30.24 30.78 3f93 n GLN 671 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3f93 h SER 672 N 0.00 0.80 -3.34 1.08 0.02 -1.91 -3.41 113.55 106.79 3f93 h SER 672 Ca 0.00 -0.54 -0.44 0.00 -0.84 0.00 0.00 61.79 59.97 3f93 h SER 672 Cb 0.27 -0.23 -0.36 0.00 0.14 0.00 0.00 62.40 62.22 3f93 h SER 672 CO 0.00 1.19 -0.78 -0.22 -1.14 0.00 0.00 176.83 175.88 3f93 s LEU 673 N -8.78 1.05 -0.05 5.07 2.96 -1.26 -0.87 118.68 116.80 3f93 s LEU 673 Ca -0.12 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3f93 s LEU 673 Cb 0.08 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.23 3f93 s LEU 673 CO 0.85 -0.11 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.78 3f93 s LEU 674 N 1.41 2.04 -0.09 -0.68 1.43 -0.27 0.86 118.68 123.37 3f93 s LEU 674 Ca -0.03 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3f93 s LEU 674 Cb -0.13 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 3f93 s LEU 674 CO -0.03 0.23 -0.18 -0.32 0.23 0.00 0.00 176.35 176.28 3f93 s MET 675 N -0.16 2.95 0.26 1.70 -2.45 0.14 -0.08 119.30 121.65 3f93 s MET 675 Ca -0.02 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 53.68 3f93 s MET 675 Cb -0.13 -2.41 -0.05 0.00 1.25 0.00 0.00 34.83 33.49 3f93 s MET 675 CO 0.03 0.33 0.02 -0.65 1.05 0.00 0.00 175.02 175.80 3f93 s GLN 676 N 0.00 1.42 0.35 4.11 -1.52 0.84 -2.05 119.66 122.81 3f93 s GLN 676 Ca -0.06 -1.74 -0.24 0.00 -1.95 0.00 0.00 55.36 51.37 3f93 s GLN 676 Cb -0.15 -0.65 -0.10 0.00 -0.22 0.00 0.00 33.01 31.89 3f93 s GLN 676 CO 0.05 -0.13 0.92 -1.54 -0.25 0.00 0.00 175.29 174.34 3f93 s SER 677 N -3.35 7.17 0.19 5.90 1.04 -1.07 0.03 113.70 123.61 3f93 s SER 677 Ca 0.31 1.74 0.06 0.00 0.48 0.00 0.00 55.95 58.54 3f93 s SER 677 Cb 0.06 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 3f93 s SER 677 CO 0.11 -0.16 -0.11 0.68 0.98 0.00 0.00 173.24 174.74 3f93 s VAL 678 N -1.80 1.42 -0.29 5.02 -7.23 -0.26 -4.66 120.40 112.60 3f93 s VAL 678 Ca 0.54 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3f93 s VAL 678 Cb -0.15 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.81 3f93 s VAL 678 CO 0.20 -0.62 0.02 0.20 -0.31 0.00 0.00 175.10 174.59 3f93 s ASN 679 N -3.26 4.83 -0.19 4.85 0.01 -1.26 -1.83 114.94 118.09 3f93 s ASN 679 Ca 0.21 -0.92 -0.15 0.00 -0.71 0.00 0.00 52.86 51.29 3f93 s ASN 679 Cb 0.02 -1.77 -0.08 0.00 0.41 0.00 0.00 41.25 39.82 3f93 s ASN 679 CO 0.04 -0.20 -0.21 -0.11 -1.51 0.00 0.00 177.10 175.11 3f93 n LEU 680 N 4.75 1.89 0.05 0.60 7.94 -1.26 -4.77 117.00 126.19 3f93 n LEU 680 Ca -0.15 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 3f93 n LEU 680 Cb 0.46 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.58 3f93 n LEU 680 CO 0.29 -0.12 -0.09 -1.20 -1.11 0.00 0.00 177.39 175.16 3f93 n SER 681 N -4.47 0.75 -4.75 1.96 7.64 -1.26 -4.95 113.62 108.54 3f93 n SER 681 Ca -0.21 0.15 -0.27 0.00 1.01 0.00 0.00 58.87 59.55 3f93 n SER 681 Cb 0.52 -0.19 0.10 0.00 -1.01 0.00 0.00 64.21 63.63 3f93 n SER 681 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3f93 s TYR 682 N -2.00 2.52 -0.09 1.43 2.02 -1.26 -4.87 117.35 115.10 3f93 s TYR 682 Ca 0.00 0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.78 3f93 s TYR 682 Cb 0.00 -3.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.14 3f93 s TYR 682 CO 0.00 -1.73 1.16 -0.65 -1.57 0.00 0.00 175.55 172.76 3f93 s GLN 683 N -5.41 4.35 -1.20 -0.62 -1.52 -1.26 -3.87 119.66 110.13 3f93 s GLN 683 Ca 0.64 1.60 -0.03 0.00 -1.95 0.00 0.00 55.36 55.62 3f93 s GLN 683 Cb -0.09 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.12 3f93 s GLN 683 CO 0.47 -0.46 0.42 0.39 -0.25 0.00 0.00 175.29 175.85 3f93 n GLU 684 N 5.39 -3.47 -0.11 2.91 1.02 -1.21 -4.88 120.64 120.28 3f93 n GLU 684 Ca 0.11 0.70 0.10 0.00 -0.02 0.00 0.00 57.16 58.05 3f93 n GLU 684 Cb 0.46 -5.10 0.32 0.00 -0.02 0.00 0.00 31.44 27.11 3f93 n GLU 684 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3f93 n ASP 685 N -1.43 1.86 -4.24 1.62 5.75 -1.14 -4.84 116.55 114.13 3f93 n ASP 685 Ca -0.10 -1.79 -0.14 0.00 -0.01 0.00 0.00 54.79 52.76 3f93 n ASP 685 Cb 0.60 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.44 3f93 n ASP 685 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3f93 s GLY 686 N -1.44 1.31 -0.12 6.12 0.00 -0.76 -4.12 107.32 108.30 3f93 s GLY 686 Ca 0.31 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.41 3f93 s GLY 686 CO 0.25 -1.52 -0.15 0.50 0.00 0.00 0.00 173.10 172.18 3f93 s ARG 687 N -3.97 2.30 0.14 2.90 1.81 1.00 -1.10 118.95 122.02 3f93 s ARG 687 Ca 0.28 -0.58 -0.08 0.00 -1.72 0.00 0.00 55.73 53.62 3f93 s ARG 687 Cb 0.07 -1.99 -0.06 0.00 -0.45 0.00 0.00 34.95 32.52 3f93 s ARG 687 CO 0.06 -0.11 0.43 0.20 -0.68 0.00 0.00 175.30 175.21 3f93 s GLY 688 N 1.11 2.30 -0.02 -3.53 0.00 0.10 -0.30 107.32 106.98 3f93 s GLY 688 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3f93 s GLY 688 CO -0.04 -0.24 0.02 -1.36 0.00 0.00 0.00 173.10 171.48 3f93 s PHE 689 N -1.58 0.11 -0.25 1.90 0.08 0.10 -0.11 117.98 118.23 3f93 s PHE 689 Ca 0.39 0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.56 3f93 s PHE 689 Cb -0.13 -0.28 0.05 0.00 -0.57 0.00 0.00 43.02 42.09 3f93 s PHE 689 CO 0.21 -0.10 -0.12 -0.80 -0.10 0.00 0.00 175.22 174.31 3f93 s ASN 690 N 1.05 4.23 -0.06 1.36 0.01 0.88 -1.76 114.94 120.65 3f93 s ASN 690 Ca -0.09 -1.29 -0.20 0.00 -0.71 0.00 0.00 52.86 50.57 3f93 s ASN 690 Cb -0.13 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 3f93 s ASN 690 CO -0.03 -0.17 0.58 0.26 -1.51 0.00 0.00 177.10 176.23 3f93 s TRP 691 N 1.15 3.59 0.00 2.20 0.51 0.12 -1.11 118.94 125.40 3f93 s TRP 691 Ca -0.07 1.10 0.00 0.00 -2.12 0.00 0.00 56.10 55.01 3f93 s TRP 691 Cb -0.19 -2.63 0.00 0.00 -0.81 0.00 0.00 33.47 29.84 3f93 s TRP 691 CO -0.06 0.22 0.15 0.54 -0.51 0.00 0.00 176.95 177.29 3f93 n ARG 692 N 3.33 2.32 -3.65 4.98 1.74 -0.05 -2.26 116.66 123.06 3f93 n ARG 692 Ca -0.06 -0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 56.79 3f93 n ARG 692 Cb 0.51 -0.55 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 3f93 n ARG 692 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f93 s ALA 693 N -0.37 -1.42 -0.17 7.54 0.00 -0.27 -4.82 121.76 122.24 3f93 s ALA 693 Ca 0.00 0.10 -0.39 0.00 0.00 0.00 0.00 51.96 51.67 3f93 s ALA 693 Cb 0.00 0.84 -0.18 0.00 0.00 0.00 0.00 23.12 23.78 3f93 s ALA 693 CO 0.00 -0.91 1.17 0.94 0.00 0.00 0.00 175.76 176.96 3f93 n GLN 694 N -0.42 0.00 -3.64 0.00 -0.06 -1.26 -4.51 117.38 107.50 3f93 n GLN 694 Ca -0.10 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.83 3f93 n GLN 694 Cb 0.62 -1.38 -0.07 0.00 -4.06 0.00 0.00 30.24 25.35 3f93 n GLN 694 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3f93 s ALA 695 N 1.05 -2.06 -0.21 1.69 0.00 -0.70 -4.06 121.76 117.48 3f93 s ALA 695 Ca 0.89 1.80 -0.04 0.00 0.00 0.00 0.00 51.96 54.61 3f93 s ALA 695 Cb -1.25 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 3f93 s ALA 695 CO 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 175.76 176.15 3f93 s ALA 696 N 0.10 2.87 -0.11 0.00 0.00 0.25 -2.91 121.76 121.95 3f93 s ALA 696 Ca 0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 3f93 s ALA 696 Cb -0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 3f93 s ALA 696 CO -0.09 -0.29 0.14 -1.17 0.00 0.00 0.00 175.76 174.35 3f93 s LEU 697 N 1.24 4.36 0.00 0.00 2.96 -0.14 -0.54 118.68 126.57 3f93 s LEU 697 Ca 0.03 0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3f93 s LEU 697 Cb -0.14 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 3f93 s LEU 697 CO -0.01 0.40 0.07 -0.94 -1.32 0.00 0.00 176.35 174.56 3f93 s SER 698 N -1.07 0.07 -0.40 3.68 1.04 0.15 -0.05 113.70 117.13 3f93 s SER 698 Ca 0.16 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 3f93 s SER 698 Cb -0.12 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.25 3f93 s SER 698 CO 0.05 -0.27 0.21 -0.22 0.98 0.00 0.00 173.24 173.98 3f93 s LEU 699 N -1.09 5.01 0.24 2.42 2.96 -0.41 0.46 118.68 128.26 3f93 s LEU 699 Ca -0.12 -1.63 0.10 0.00 -0.22 0.00 0.00 54.13 52.27 3f93 s LEU 699 Cb -0.07 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3f93 s LEU 699 CO 0.00 -0.50 -0.11 -0.44 -1.32 0.00 0.00 176.35 173.99 3f93 s SER 700 N 1.92 4.09 -0.10 3.68 0.01 -0.24 0.09 113.70 123.15 3f93 s SER 700 Ca 0.03 -0.76 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 3f93 s SER 700 Cb -0.23 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 3f93 s SER 700 CO -0.00 0.05 0.42 -0.31 0.41 0.00 0.00 173.24 173.81 3f93 s TYR 701 N -2.17 3.56 0.08 2.43 2.02 0.13 -1.82 117.35 121.58 3f93 s TYR 701 Ca 0.28 0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 57.64 3f93 s TYR 701 Cb -0.07 -2.45 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 3f93 s TYR 701 CO 0.16 0.30 1.57 -0.07 -1.57 0.00 0.00 175.55 175.95 3f93 h LEU 702 N 6.22 0.29 -7.92 -1.29 3.38 0.11 -3.35 115.31 112.74 3f93 h LEU 702 Ca -0.44 -0.23 -0.69 0.00 0.09 0.00 0.00 57.88 56.62 3f93 h LEU 702 Cb 1.19 -0.08 -0.34 0.00 0.09 0.00 0.00 40.66 41.52 3f93 h LEU 702 CO 0.72 0.44 -0.61 -1.83 0.09 0.00 0.00 178.44 177.25 3f93 s GLU 703 N -5.31 2.17 -0.89 1.13 -1.05 -1.26 -5.06 118.70 108.44 3f93 s GLU 703 Ca -0.14 -1.60 -0.25 0.00 -0.15 0.00 0.00 54.97 52.83 3f93 s GLU 703 Cb 0.07 -3.44 -0.21 0.00 -0.44 0.00 0.00 34.13 30.11 3f93 s GLU 703 CO 0.71 -0.89 2.52 -2.30 0.95 0.00 0.00 175.26 176.25 3f93 n PRO 704 N 4.61 0.24 -2.80 -4.83 -0.02 -1.26 -4.94 135.00 126.01 3f93 n PRO 704 Ca -0.06 -0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 60.95 3f93 n PRO 704 Cb 0.42 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 3f93 n PRO 704 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3f93 s THR 705 N 8.31 4.36 0.44 3.45 -1.32 -1.24 -4.48 115.64 125.17 3f93 s THR 705 Ca 1.25 1.98 -0.26 0.00 -1.21 0.00 0.00 61.69 63.45 3f93 s THR 705 Cb -0.89 -4.28 -0.09 0.00 -1.51 0.00 0.00 72.50 65.74 3f93 s THR 705 CO 0.43 0.41 1.42 -2.16 -2.21 0.00 0.00 174.62 172.51 3f93 s PRO 706 N -0.55 3.76 0.12 7.08 0.04 -1.26 -1.81 135.00 142.38 3f93 s PRO 706 Ca 0.43 2.40 -0.34 0.00 0.04 0.00 0.00 61.00 63.52 3f93 s PRO 706 Cb -0.24 -2.70 -0.14 0.00 0.04 0.00 0.00 34.50 31.47 3f93 s PRO 706 CO 0.29 -0.75 1.62 -0.11 0.04 0.00 0.00 177.00 178.10 3f93 n LEU 707 N -0.09 3.10 -4.71 -3.56 7.94 -1.25 -4.88 117.00 113.56 3f93 n LEU 707 Ca 0.05 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.63 3f93 n LEU 707 Cb 0.42 -1.41 0.05 0.00 0.53 0.00 0.00 43.42 43.01 3f93 n LEU 707 CO 0.59 -0.27 0.88 -0.67 -1.11 0.00 0.00 177.39 176.80 3f93 n ASP 708 N 3.94 2.20 0.00 1.96 -0.08 -1.26 -4.90 116.55 118.41 3f93 n ASP 708 Ca 0.18 0.93 0.11 0.00 -1.51 0.00 0.00 54.79 54.50 3f93 n ASP 708 Cb 0.29 -1.53 0.56 0.00 2.34 0.00 0.00 41.12 42.77 3f93 n ASP 708 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3f93 n SER 709 N -1.02 0.00 0.17 1.67 3.41 -1.26 -2.78 113.62 113.81 3f93 n SER 709 Ca 0.12 0.16 0.03 0.00 -0.26 0.00 0.00 58.87 58.91 3f93 n SER 709 Cb 0.45 -0.37 0.27 0.00 -0.26 0.00 0.00 64.21 64.30 3f93 n SER 709 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3f93 h LYS 710 N 0.00 0.00 0.00 4.33 1.63 -2.01 -3.35 116.57 117.17 3f93 h LYS 710 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3f93 h LYS 710 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3f93 h LYS 710 CO 0.00 0.48 -0.01 1.19 -3.45 0.00 0.00 179.45 177.66 3f93 n PHE 711 N -3.67 0.00 0.09 1.91 3.72 -1.12 -4.70 117.46 113.70 3f93 n PHE 711 Ca -0.01 -0.55 -0.07 0.00 -0.05 0.00 0.00 57.45 56.78 3f93 n PHE 711 Cb 0.55 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 3f93 n PHE 711 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3f93 h SER 712 N 0.00 0.11 -0.87 4.37 4.64 -1.69 -0.46 113.55 119.64 3f93 h SER 712 Ca 0.00 -0.09 -0.58 0.00 -0.47 0.00 0.00 61.79 60.64 3f93 h SER 712 Cb 0.64 -0.03 -0.31 0.00 -0.31 0.00 0.00 62.40 62.38 3f93 h SER 712 CO 0.00 0.92 0.29 0.35 -0.87 0.00 0.00 176.83 177.52 3f93 n THR 713 N -3.58 3.19 -2.23 2.95 -2.24 -1.26 -4.08 114.28 107.02 3f93 n THR 713 Ca -0.02 -3.20 0.00 0.00 -2.27 0.00 0.00 64.05 58.56 3f93 n THR 713 Cb 0.82 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3f93 n THR 713 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f93 n GLY 714 N -0.90 4.82 3.04 3.38 0.00 -0.18 -4.87 105.19 110.48 3f93 n GLY 714 Ca 0.55 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 3f93 n GLY 714 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f93 s TYR 715 N 1.77 0.53 -0.21 1.61 2.02 -0.55 -0.53 117.35 122.00 3f93 s TYR 715 Ca 0.00 -0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 3f93 s TYR 715 Cb 0.00 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.18 3f93 s TYR 715 CO 0.00 -0.14 0.19 -1.17 -1.57 0.00 0.00 175.55 172.86 3f93 s LEU 716 N -1.67 4.18 -0.12 -1.29 2.96 0.25 -2.06 118.68 120.94 3f93 s LEU 716 Ca -0.10 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3f93 s LEU 716 Cb -0.08 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 3f93 s LEU 716 CO -0.01 0.11 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.26 3f93 s GLU 717 N 0.67 3.25 -0.01 1.98 2.12 0.70 -0.60 118.70 126.82 3f93 s GLU 717 Ca 0.10 -0.76 -0.10 0.00 0.36 0.00 0.00 54.97 54.57 3f93 s GLU 717 Cb -0.12 -2.51 0.01 0.00 0.26 0.00 0.00 34.13 31.77 3f93 s GLU 717 CO 0.02 0.20 0.20 -0.48 -0.54 0.00 0.00 175.26 174.66 3f93 s LEU 718 N 0.36 1.28 0.01 2.70 2.34 -0.42 -0.50 118.68 124.44 3f93 s LEU 718 Ca -0.14 -0.02 -0.19 0.00 0.06 0.00 0.00 54.13 53.84 3f93 s LEU 718 Cb -0.17 0.88 -0.06 0.00 -0.56 0.00 0.00 46.19 46.28 3f93 s LEU 718 CO 0.07 -0.35 0.54 -0.54 -1.06 0.00 0.00 176.35 175.01 3f93 s LYS 719 N -1.16 4.21 0.03 1.48 1.02 -0.16 0.11 119.74 125.27 3f93 s LYS 719 Ca -0.12 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.53 3f93 s LYS 719 Cb -0.06 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 3f93 s LYS 719 CO 0.02 0.49 -0.06 1.41 -0.92 0.00 0.00 175.35 176.30 3f93 s MET 720 N -0.57 0.45 -0.04 1.68 1.75 0.59 -1.66 119.30 121.49 3f93 s MET 720 Ca 0.29 -0.72 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 3f93 s MET 720 Cb -0.18 -0.11 0.02 0.00 2.84 0.00 0.00 34.83 37.40 3f93 s MET 720 CO 0.16 0.00 -0.05 0.50 -0.65 0.00 0.00 175.02 174.99 3f93 s ARG 721 N -1.63 0.78 -0.33 4.11 3.52 -0.76 -0.35 118.95 124.28 3f93 s ARG 721 Ca -0.12 -0.11 -0.06 0.00 -0.13 0.00 0.00 55.73 55.31 3f93 s ARG 721 Cb -0.09 -0.78 0.04 0.00 -1.56 0.00 0.00 34.95 32.55 3f93 s ARG 721 CO -0.00 -0.05 0.09 0.42 -0.81 0.00 0.00 175.30 174.94 3f93 s ILE 722 N 0.79 3.71 -0.07 4.11 1.01 -1.26 -0.63 121.20 128.86 3f93 s ILE 722 Ca -0.10 -1.15 0.14 0.00 0.00 0.00 0.00 60.65 59.53 3f93 s ILE 722 Cb -0.13 -3.10 -0.21 0.00 0.01 0.00 0.00 42.46 39.02 3f93 s ILE 722 CO 0.00 -0.17 0.66 -0.90 0.00 0.00 0.00 174.94 174.53 3f93 n ASP 723 N 4.79 0.81 -3.81 3.58 5.75 -0.95 -4.18 116.55 122.56 3f93 n ASP 723 Ca -0.13 0.38 -0.30 0.00 -0.01 0.00 0.00 54.79 54.74 3f93 n ASP 723 Cb 0.44 0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 40.44 3f93 n ASP 723 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3f93 s LYS 724 N -2.66 0.98 0.49 0.11 2.20 -0.91 -4.99 119.74 114.95 3f93 s LYS 724 Ca -0.05 -1.02 -0.23 0.00 -0.36 0.00 0.00 55.97 54.32 3f93 s LYS 724 Cb 0.08 -2.27 -0.08 0.00 -1.51 0.00 0.00 37.83 34.05 3f93 s LYS 724 CO 0.82 -0.83 1.09 0.00 -0.36 0.00 0.00 175.35 176.07 3f93 n ALA 725 N 4.78 0.59 -1.62 3.13 0.00 -1.26 -2.52 120.51 123.61 3f93 n ALA 725 Ca -0.05 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 3f93 n ALA 725 Cb 0.43 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 3f93 n ALA 725 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3f93 s PRO 726 N -2.36 1.89 0.19 0.00 0.02 -1.26 -4.80 135.00 128.68 3f93 s PRO 726 Ca 0.67 0.80 -0.21 0.00 0.02 0.00 0.00 61.00 62.28 3f93 s PRO 726 Cb -0.49 -4.71 0.12 0.00 0.02 0.00 0.00 34.50 29.45 3f93 s PRO 726 CO 0.54 -3.87 1.58 1.49 -0.33 0.00 0.00 177.00 176.41 3f93 h GLU 727 N 15.36 -0.15 -0.42 5.54 4.22 -1.86 -1.23 114.58 136.04 3f93 h GLU 727 Ca -0.10 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3f93 h GLU 727 Cb 1.11 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3f93 h GLU 727 CO 1.09 -0.10 0.00 1.04 -2.18 0.00 0.00 179.01 178.86 3f93 n GLN 728 N -5.43 2.53 0.00 1.92 6.02 -1.26 -5.07 117.38 116.08 3f93 n GLN 728 Ca 0.04 -2.16 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 3f93 n GLN 728 Cb 0.36 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3f93 n GLN 728 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f93 n GLY 729 N 0.99 2.81 3.33 1.08 0.00 -0.46 -5.04 105.19 107.89 3f93 n GLY 729 Ca 0.16 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3f93 n GLY 729 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 s ALA 730 N -2.65 -1.05 -0.06 4.61 0.00 -1.26 -4.44 121.76 116.91 3f93 s ALA 730 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.16 3f93 s ALA 730 Cb 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 3f93 s ALA 730 CO 0.00 -0.60 -0.22 1.21 0.00 0.00 0.00 175.76 176.15 3f93 s ASN 731 N -2.54 3.29 -0.34 0.00 2.47 0.07 -0.66 114.94 117.23 3f93 s ASN 731 Ca 0.00 -0.45 -0.01 0.00 0.42 0.00 0.00 52.86 52.82 3f93 s ASN 731 Cb 0.01 -0.88 0.08 0.00 -1.45 0.00 0.00 41.25 39.01 3f93 s ASN 731 CO -0.09 0.26 0.08 -0.22 -3.72 0.00 0.00 177.10 173.41 3f93 s LEU 732 N -0.23 4.49 -0.13 3.21 2.96 0.30 -2.10 118.68 127.17 3f93 s LEU 732 Ca -0.01 -1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 52.15 3f93 s LEU 732 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3f93 s LEU 732 CO 0.03 -0.38 0.17 -1.10 -1.32 0.00 0.00 176.35 173.76 3f93 s GLN 733 N 1.16 3.71 -0.11 1.98 -0.21 -0.11 -0.26 119.66 125.82 3f93 s GLN 733 Ca 0.02 -0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.32 3f93 s GLN 733 Cb -0.21 -3.26 0.02 0.00 1.00 0.00 0.00 33.01 30.56 3f93 s GLN 733 CO -0.03 0.62 -0.11 0.08 -2.12 0.00 0.00 175.29 173.73 3f93 s VAL 734 N -0.61 1.23 -0.63 1.09 1.01 -0.19 0.29 120.40 122.59 3f93 s VAL 734 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3f93 s VAL 734 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3f93 s VAL 734 CO 0.03 0.39 0.59 0.23 0.00 0.00 0.00 175.10 176.35 3f93 n MET 735 N 4.53 -1.16 -3.59 2.72 2.81 0.15 -1.79 117.12 120.78 3f93 n MET 735 Ca -0.17 1.25 -0.38 0.00 -1.81 0.00 0.00 57.70 56.59 3f93 n MET 735 Cb 0.51 -5.00 -0.06 0.00 -0.71 0.00 0.00 33.22 27.96 3f93 n MET 735 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3f93 n SER 737 N 1.96 2.73 -2.35 0.00 3.41 0.17 -0.87 113.62 118.68 3f93 n SER 737 Ca -0.15 -3.80 -0.16 0.00 -0.26 0.00 0.00 58.87 54.50 3f93 n SER 737 Cb 0.53 -0.64 0.04 0.00 -0.26 0.00 0.00 64.21 63.88 3f93 n SER 737 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3f93 n GLU 738 N -1.10 -4.21 -0.35 4.33 0.00 -1.26 -4.58 120.64 113.46 3f93 n GLU 738 Ca 0.35 0.62 0.00 0.00 0.00 0.00 0.00 57.16 58.13 3f93 n GLU 738 Cb 1.03 -4.90 0.00 0.00 0.00 0.00 0.00 31.44 27.57 3f93 n GLU 738 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3f93 n SER 739 N -1.37 -0.47 -1.35 4.31 3.41 -1.26 -5.09 113.62 111.80 3f93 n SER 739 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3f93 n SER 739 Cb 0.57 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3f93 n SER 739 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3f93 n ASN 740 N 0.00 1.42 -4.69 4.04 6.94 -1.26 -4.98 115.26 116.73 3f93 n ASN 740 Ca 0.00 -0.67 -0.32 0.00 -0.02 0.00 0.00 54.58 53.56 3f93 n ASN 740 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 3f93 n ASN 740 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3f93 h LEU 742 N 4.23 0.80 -8.52 0.00 3.38 -0.88 -3.44 115.31 110.88 3f93 h LEU 742 Ca -0.49 -0.21 -0.52 0.00 0.09 0.00 0.00 57.88 56.75 3f93 h LEU 742 Cb 1.17 -0.21 -0.24 0.00 0.09 0.00 0.00 40.66 41.48 3f93 h LEU 742 CO 0.58 0.79 -0.82 -0.13 0.09 0.00 0.00 178.44 178.95 3f93 s ARG 743 N -5.40 1.14 -0.27 1.13 1.81 -0.74 -4.90 118.95 111.71 3f93 s ARG 743 Ca -0.13 -0.97 -0.01 0.00 -1.72 0.00 0.00 55.73 52.90 3f93 s ARG 743 Cb 0.12 -1.27 0.14 0.00 -0.45 0.00 0.00 34.95 33.49 3f93 s ARG 743 CO 0.80 0.31 0.33 0.34 -0.68 0.00 0.00 175.30 176.40 3f93 s ASP 744 N -1.47 1.02 -0.08 0.23 2.15 -1.25 -1.02 116.67 116.25 3f93 s ASP 744 Ca 0.05 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 52.67 3f93 s ASP 744 Cb -0.09 0.77 -0.02 0.00 -0.30 0.00 0.00 42.92 43.28 3f93 s ASP 744 CO 0.02 -0.35 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.86 3f93 s ILE 745 N 2.44 2.64 -0.20 4.11 1.01 0.63 -4.94 121.20 126.90 3f93 s ILE 745 Ca 0.10 -0.85 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 3f93 s ILE 745 Cb -0.14 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3f93 s ILE 745 CO -0.26 0.56 0.93 -1.81 0.00 0.00 0.00 174.94 174.36 3f93 s ASP 746 N -0.18 7.02 0.36 3.58 1.01 -1.26 0.11 116.67 127.30 3f93 s ASP 746 Ca -0.02 1.26 0.19 0.00 0.71 0.00 0.00 52.55 54.70 3f93 s ASP 746 Cb -0.14 -2.49 1.28 0.00 1.01 0.00 0.00 42.92 42.58 3f93 s ASP 746 CO 0.03 -0.53 1.55 0.49 0.21 0.00 0.00 175.17 176.92 3f93 n PHE 747 N 5.79 1.11 0.28 4.23 3.01 0.17 -0.43 117.46 131.62 3f93 n PHE 747 Ca 0.08 1.16 0.15 0.00 1.01 0.00 0.00 57.45 59.85 3f93 n PHE 747 Cb 0.47 -1.53 0.82 0.00 -0.01 0.00 0.00 39.48 39.23 3f93 n PHE 747 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3f93 h SER 748 N 0.00 0.00 1.09 4.37 4.64 -1.93 -1.51 113.55 120.22 3f93 h SER 748 Ca 0.81 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.13 3f93 h SER 748 Cb 2.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.22 3f93 h SER 748 CO -0.77 0.07 -0.02 -1.54 -0.87 0.00 0.00 176.83 173.71 3f93 n SER 749 N -3.57 0.20 -0.20 4.97 3.41 0.43 -3.29 113.62 115.58 3f93 n SER 749 Ca -0.02 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.16 3f93 n SER 749 Cb 0.19 -0.54 0.11 0.00 -0.26 0.00 0.00 64.21 63.71 3f93 n SER 749 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3f93 n PHE 750 N -1.68 0.00 -0.21 7.33 1.16 -0.65 -4.87 117.46 118.54 3f93 n PHE 750 Ca 0.07 -0.77 -0.06 0.00 -1.87 0.00 0.00 57.45 54.81 3f93 n PHE 750 Cb 0.36 -0.13 0.04 0.00 -1.61 0.00 0.00 39.48 38.14 3f93 n PHE 750 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3f93 h SER 751 N 0.03 0.73 -0.18 5.98 4.64 -1.34 -2.98 113.55 120.42 3f93 h SER 751 Ca -0.00 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3f93 h SER 751 Cb 1.10 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3f93 h SER 751 CO 0.00 0.58 0.27 -0.61 -0.87 0.00 0.00 176.83 176.20 3f93 h GLN 752 N 0.82 0.00 -0.02 4.77 5.75 -1.89 0.19 115.11 124.72 3f93 h GLN 752 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3f93 h GLN 752 Cb -0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.53 3f93 h GLN 752 CO -0.04 0.00 -0.14 1.47 -2.65 0.00 0.00 178.83 177.47 3f93 n LEU 753 N -3.52 2.19 -0.25 -2.39 -0.00 -1.13 -3.81 117.00 108.09 3f93 n LEU 753 Ca 0.02 -0.74 0.06 0.00 -0.00 0.00 0.00 56.01 55.35 3f93 n LEU 753 Cb 0.38 -0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 43.78 3f93 n LEU 753 CO 0.24 0.38 0.21 0.23 -0.00 0.00 0.00 177.39 178.45 3f93 n MET 754 N 0.53 2.03 0.00 1.47 0.00 0.62 -4.70 117.12 117.06 3f93 n MET 754 Ca 0.14 -0.63 0.04 0.00 0.00 0.00 0.00 57.70 57.25 3f93 n MET 754 Cb 0.48 -1.13 0.20 0.00 0.00 0.00 0.00 33.22 32.77 3f93 n MET 754 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3f93 n ALA 755 N -0.27 1.64 1.25 3.04 0.00 -0.92 -1.77 120.51 123.47 3f93 n ALA 755 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3f93 n ALA 755 Cb 0.24 -1.12 0.49 0.00 0.00 0.00 0.00 19.45 19.07 3f93 n ALA 755 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3f93 n ASP 756 N -1.16 0.55 -1.22 0.00 5.75 -1.26 -4.92 116.55 114.29 3f93 n ASP 756 Ca 0.04 -0.47 -0.16 0.00 -0.01 0.00 0.00 54.79 54.20 3f93 n ASP 756 Cb 0.04 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.05 3f93 n ASP 756 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3f93 n LYS 757 N -1.05 -1.14 -4.46 0.11 4.76 -0.73 -4.98 118.16 110.68 3f93 n LYS 757 Ca 0.11 1.06 -0.30 0.00 -2.87 0.00 0.00 58.31 56.31 3f93 n LYS 757 Cb 0.31 -5.25 -0.06 0.00 -1.84 0.00 0.00 35.03 28.20 3f93 n LYS 757 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3f93 s SER 758 N -2.81 4.29 0.38 4.39 0.15 -1.26 -4.72 113.70 114.11 3f93 s SER 758 Ca 0.00 -1.49 -0.26 0.00 0.70 0.00 0.00 55.95 54.90 3f93 s SER 758 Cb 0.00 0.40 -0.09 0.00 -1.71 0.00 0.00 66.02 64.62 3f93 s SER 758 CO 0.00 -0.90 1.11 0.26 1.20 0.00 0.00 173.24 174.91 3f93 s TRP 759 N -2.82 3.25 -0.04 3.44 0.52 -1.26 -4.43 118.94 117.58 3f93 s TRP 759 Ca 0.17 1.62 -0.04 0.00 0.02 0.00 0.00 56.10 57.87 3f93 s TRP 759 Cb 0.01 -3.27 0.01 0.00 -1.15 0.00 0.00 33.47 29.07 3f93 s TRP 759 CO 0.10 -0.90 0.11 -1.01 0.02 0.00 0.00 176.95 175.27 3f93 s HIS 760 N -1.46 -0.12 -0.31 -1.98 3.76 0.52 -4.97 115.29 110.73 3f93 s HIS 760 Ca 0.55 0.31 -0.19 0.00 -0.15 0.00 0.00 55.06 55.58 3f93 s HIS 760 Cb -0.28 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 3f93 s HIS 760 CO 0.35 -0.07 0.58 0.99 -0.85 0.00 0.00 174.74 175.74 3f93 s THR 761 N 0.18 4.98 -0.14 1.30 2.01 -1.26 -0.30 115.64 122.41 3f93 s THR 761 Ca -0.01 0.70 -0.10 0.00 0.31 0.00 0.00 61.69 62.58 3f93 s THR 761 Cb -0.02 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3f93 s THR 761 CO -0.00 -0.14 0.20 -0.76 -0.69 0.00 0.00 174.62 173.23 3f93 s LEU 762 N 2.51 4.30 -0.18 4.42 1.43 0.29 -0.88 118.68 130.58 3f93 s LEU 762 Ca 0.23 0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3f93 s LEU 762 Cb -0.15 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3f93 s LEU 762 CO 0.12 0.25 -0.15 0.00 0.23 0.00 0.00 176.35 176.80 3f93 s ALA 763 N -0.22 2.48 -0.31 4.21 0.00 0.11 -1.31 121.76 126.73 3f93 s ALA 763 Ca 0.14 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3f93 s ALA 763 Cb -0.12 -1.30 0.08 0.00 0.00 0.00 0.00 23.12 21.77 3f93 s ALA 763 CO 0.03 -0.26 0.00 0.42 0.00 0.00 0.00 175.76 175.95 3f93 s ILE 764 N 1.18 2.43 0.24 0.00 1.01 0.24 -0.04 121.20 126.26 3f93 s ILE 764 Ca 0.02 -1.93 -0.31 0.00 0.00 0.00 0.00 60.65 58.43 3f93 s ILE 764 Cb -0.14 -2.60 -0.11 0.00 0.01 0.00 0.00 42.46 39.62 3f93 s ILE 764 CO -0.07 -0.34 1.59 -2.16 0.00 0.00 0.00 174.94 173.97 3f93 s PRO 765 N 1.04 4.17 0.18 2.79 0.04 -1.26 -0.58 135.00 141.38 3f93 s PRO 765 Ca 0.01 2.49 0.23 0.00 0.04 0.00 0.00 61.00 63.77 3f93 s PRO 765 Cb -0.20 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3f93 s PRO 765 CO -0.06 -0.62 1.04 1.28 0.04 0.00 0.00 177.00 178.69 3f93 n LEU 766 N 2.94 0.80 -4.36 -3.56 4.77 0.31 -4.81 117.00 113.09 3f93 n LEU 766 Ca 0.11 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 3f93 n LEU 766 Cb 0.38 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3f93 n LEU 766 CO 0.63 -0.16 -0.06 -2.28 -1.33 0.00 0.00 177.39 174.18 3f93 s HIS 767 N -3.35 3.27 0.00 -1.77 2.46 -1.26 -4.86 115.29 109.78 3f93 s HIS 767 Ca -0.00 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.48 3f93 s HIS 767 Cb 0.10 -2.86 0.00 0.00 -0.13 0.00 0.00 32.58 29.69 3f93 s HIS 767 CO 0.79 -0.75 0.00 0.00 -2.47 0.00 0.00 174.74 172.31 3f93 n ASP 769 N -2.39 -4.55 0.00 0.00 8.00 -1.26 -4.65 116.55 111.69 3f93 n ASP 769 Ca 0.00 1.37 0.00 0.00 0.71 0.00 0.00 54.79 56.87 3f93 n ASP 769 Cb 0.31 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 3f93 n ASP 769 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3f93 n GLN 776 N 1.98 0.00 -2.62 -1.24 -0.06 -1.26 -5.03 117.38 109.15 3f93 n GLN 776 Ca -0.04 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.54 3f93 n GLN 776 Cb 0.07 -0.90 -0.03 0.00 -4.06 0.00 0.00 30.24 25.32 3f93 n GLN 776 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3f93 s PRO 777 N -1.82 4.51 -0.30 3.69 0.04 -1.26 -3.80 135.00 136.04 3f93 s PRO 777 Ca 0.00 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 3f93 s PRO 777 Cb 0.00 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 3f93 s PRO 777 CO 0.00 -0.14 0.52 0.42 0.04 0.00 0.00 177.00 177.84 3f93 s ILE 778 N 1.13 5.03 -0.15 0.56 -1.09 -0.75 -4.45 121.20 121.49 3f93 s ILE 778 Ca 0.54 0.64 -0.18 0.00 -2.23 0.00 0.00 60.65 59.43 3f93 s ILE 778 Cb -0.23 -3.90 -0.15 0.00 -1.58 0.00 0.00 42.46 36.60 3f93 s ILE 778 CO 0.27 -0.07 0.30 0.74 -1.23 0.00 0.00 174.94 174.96 3f93 h THR 779 N 5.51 0.89 -3.63 2.92 2.02 -1.31 -3.29 112.91 116.02 3f93 h THR 779 Ca -0.28 -1.80 -0.70 0.00 0.77 0.00 0.00 66.41 64.40 3f93 h THR 779 Cb 1.13 1.81 -0.30 0.00 -1.74 0.00 0.00 68.15 69.05 3f93 h THR 779 CO 0.75 0.30 -0.59 -1.81 0.37 0.00 0.00 175.52 174.54 3f93 s ASP 780 N -6.17 5.30 0.20 4.18 1.01 -0.55 0.21 116.67 120.85 3f93 s ASP 780 Ca -0.17 -1.33 -0.11 0.00 0.71 0.00 0.00 52.55 51.65 3f93 s ASP 780 Cb 0.01 -1.86 0.19 0.00 1.01 0.00 0.00 42.92 42.27 3f93 s ASP 780 CO 0.44 -0.38 1.80 0.00 0.21 0.00 0.00 175.17 177.24 3f93 h ALA 781 N 8.20 0.78 -2.57 5.23 0.00 -0.63 0.74 119.26 131.00 3f93 h ALA 781 Ca -0.22 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3f93 h ALA 781 Cb 1.07 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 3f93 h ALA 781 CO 0.63 -0.02 -0.25 -0.48 0.00 0.00 0.00 179.25 179.13 3f93 s LEU 782 N -10.27 0.91 -0.17 0.00 0.05 -1.19 0.33 118.68 108.34 3f93 s LEU 782 Ca -0.13 -0.28 -0.05 0.00 0.05 0.00 0.00 54.13 53.72 3f93 s LEU 782 Cb 0.15 1.36 0.08 0.00 -2.05 0.00 0.00 46.19 45.73 3f93 s LEU 782 CO 0.75 -0.66 0.32 -0.60 -0.55 0.00 0.00 176.35 175.61 3f93 s ARG 783 N -2.90 0.22 -0.20 1.48 3.52 0.15 -1.29 118.95 119.94 3f93 s ARG 783 Ca -0.03 0.78 -0.06 0.00 -0.13 0.00 0.00 55.73 56.30 3f93 s ARG 783 Cb 0.00 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.32 3f93 s ARG 783 CO -0.06 -0.34 0.02 0.42 -0.81 0.00 0.00 175.30 174.54 3f93 s ILE 784 N 2.49 4.21 -0.12 4.11 1.01 0.93 -0.93 121.20 132.89 3f93 s ILE 784 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3f93 s ILE 784 Cb -0.13 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3f93 s ILE 784 CO -0.11 0.43 -0.22 -0.89 0.00 0.00 0.00 174.94 174.15 3f93 s THR 785 N 0.85 2.03 0.25 2.92 2.01 -0.89 -0.96 115.64 121.84 3f93 s THR 785 Ca 0.02 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 3f93 s THR 785 Cb -0.14 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.65 3f93 s THR 785 CO 0.02 0.55 0.84 -0.24 -0.69 0.00 0.00 174.62 175.09 3f93 n SER 786 N 3.85 -1.79 0.00 3.53 2.88 -1.15 -0.75 113.62 120.19 3f93 n SER 786 Ca -0.20 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 3f93 n SER 786 Cb 0.52 2.95 0.00 0.00 -0.75 0.00 0.00 64.21 66.93 3f93 n SER 786 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3f93 n GLN 787 N -0.58 0.00 -3.96 -1.46 6.02 -1.26 -1.71 117.38 114.42 3f93 n GLN 787 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.64 3f93 n GLN 787 Cb 0.53 -0.64 -0.16 0.00 1.02 0.00 0.00 30.24 30.99 3f93 n GLN 787 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3f93 s ASN 788 N -4.47 3.41 -0.11 1.08 3.04 -1.26 -1.12 114.94 115.51 3f93 s ASN 788 Ca 0.00 -0.92 -0.30 0.00 0.04 0.00 0.00 52.86 51.68 3f93 s ASN 788 Cb 0.00 -1.16 0.09 0.00 -1.54 0.00 0.00 41.25 38.64 3f93 s ASN 788 CO 0.00 -0.18 0.78 -0.22 -3.04 0.00 0.00 177.10 174.44 3f93 s LEU 789 N 1.44 -0.59 -0.10 3.21 2.96 -0.96 -3.17 118.68 121.48 3f93 s LEU 789 Ca -0.02 0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 54.56 3f93 s LEU 789 Cb -0.17 2.33 0.05 0.00 0.50 0.00 0.00 46.19 48.91 3f93 s LEU 789 CO -0.08 -0.49 0.19 -0.55 -1.32 0.00 0.00 176.35 174.11 3f93 s SER 790 N -0.96 0.64 0.25 3.68 0.15 -1.05 0.15 113.70 116.55 3f93 s SER 790 Ca -0.07 0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 3f93 s SER 790 Cb -0.01 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3f93 s SER 790 CO 0.06 -0.24 0.47 -1.48 1.20 0.00 0.00 173.24 173.25 3f93 s LEU 791 N 2.33 0.35 0.09 3.45 0.05 -0.72 -2.15 118.68 122.08 3f93 s LEU 791 Ca 0.03 -0.95 0.06 0.00 0.05 0.00 0.00 54.13 53.31 3f93 s LEU 791 Cb -0.12 1.74 -0.03 0.00 -2.05 0.00 0.00 46.19 45.73 3f93 s LEU 791 CO -0.07 -1.14 -0.16 0.00 -0.55 0.00 0.00 176.35 174.43 3f93 s ALA 792 N -3.99 1.40 -0.01 1.48 0.00 0.20 0.02 121.76 120.86 3f93 s ALA 792 Ca 0.23 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3f93 s ALA 792 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3f93 s ALA 792 CO 0.09 0.21 -0.06 0.42 0.00 0.00 0.00 175.76 176.43 3f93 s ILE 793 N -1.36 0.49 0.26 0.00 1.01 0.59 -1.84 121.20 120.35 3f93 s ILE 793 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3f93 s ILE 793 Cb -0.09 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3f93 s ILE 793 CO 0.03 0.16 0.25 0.00 0.00 0.00 0.00 174.94 175.38 3f93 s ALA 794 N 0.11 1.12 -1.25 9.38 0.00 -0.67 -0.00 121.76 130.46 3f93 s ALA 794 Ca -0.01 -1.67 -0.18 0.00 0.00 0.00 0.00 51.96 50.10 3f93 s ALA 794 Cb -0.05 1.35 0.01 0.00 0.00 0.00 0.00 23.12 24.42 3f93 s ALA 794 CO -0.00 -0.67 0.63 -0.25 0.00 0.00 0.00 175.76 175.47 3f93 n ASP 795 N -0.75 -3.43 -4.70 0.00 8.00 -1.04 -0.99 116.55 113.62 3f93 n ASP 795 Ca 0.03 -1.09 -0.38 0.00 0.71 0.00 0.00 54.79 54.05 3f93 n ASP 795 Cb 0.64 -2.81 -0.06 0.00 -0.02 0.00 0.00 41.12 38.87 3f93 n ASP 795 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3f93 s VAL 796 N -3.66 5.16 0.08 2.53 1.01 -0.47 -3.67 120.40 121.39 3f93 s VAL 796 Ca 0.33 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 3f93 s VAL 796 Cb -0.14 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.45 3f93 s VAL 796 CO 0.90 0.28 0.43 0.00 0.00 0.00 0.00 175.10 176.71 3f93 s ALA 797 N 0.91 -1.04 0.03 5.51 0.00 0.35 -0.68 121.76 126.84 3f93 s ALA 797 Ca 0.26 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 3f93 s ALA 797 Cb -0.15 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 3f93 s ALA 797 CO 0.10 -0.56 0.42 -0.51 0.00 0.00 0.00 175.76 175.21 3f93 s LEU 798 N -2.38 4.44 -0.01 0.00 1.43 0.63 -0.21 118.68 122.58 3f93 s LEU 798 Ca -0.01 0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 53.89 3f93 s LEU 798 Cb 0.00 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.51 3f93 s LEU 798 CO -0.07 0.27 0.27 0.28 0.23 0.00 0.00 176.35 177.33 3f93 s THR 799 N -1.18 0.06 -0.11 5.49 -1.32 -0.87 -0.64 115.64 117.07 3f93 s THR 799 Ca 0.27 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 59.96 3f93 s THR 799 Cb -0.16 -0.58 -0.22 0.00 -1.51 0.00 0.00 72.50 70.03 3f93 s THR 799 CO 0.15 -0.29 0.78 0.16 -2.21 0.00 0.00 174.62 173.20 3f93 h ILE 800 N 3.94 1.48 -3.99 5.08 3.07 -1.90 -1.45 117.51 123.74 3f93 h ILE 800 Ca -0.30 -1.94 -0.69 0.00 1.55 0.00 0.00 64.86 63.49 3f93 h ILE 800 Cb 1.18 2.72 -0.22 0.00 -0.27 0.00 0.00 36.82 40.23 3f93 h ILE 800 CO 0.40 0.47 -0.80 -1.59 -1.05 0.00 0.00 178.15 175.59 3f93 s LYS 801 N -2.56 2.17 0.08 0.16 -2.85 -1.26 -4.48 119.74 110.99 3f93 s LYS 801 Ca -0.16 -0.92 -0.31 0.00 -1.00 0.00 0.00 55.97 53.58 3f93 s LYS 801 Cb -0.02 -2.23 -0.08 0.00 -2.06 0.00 0.00 37.83 33.45 3f93 s LYS 801 CO 0.60 0.56 1.49 -1.25 0.10 0.00 0.00 175.35 176.85 3f93 s PRO 802 N -1.29 4.26 0.87 1.78 0.04 -1.26 -4.96 135.00 134.45 3f93 s PRO 802 Ca 0.14 2.15 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 3f93 s PRO 802 Cb -0.11 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 31.09 3f93 s PRO 802 CO 0.04 -0.58 0.91 -1.13 0.04 0.00 0.00 177.00 176.29 3f93 n SER 803 N 4.81 -0.22 -0.26 6.66 3.41 -1.26 -4.88 113.62 121.88 3f93 n SER 803 Ca 0.13 0.47 0.03 0.00 -0.26 0.00 0.00 58.87 59.24 3f93 n SER 803 Cb 0.42 -1.39 0.13 0.00 -0.26 0.00 0.00 64.21 63.10 3f93 n SER 803 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3f93 h ASP 804 N -1.35 -0.51 -2.25 4.04 1.82 -2.03 -2.71 116.42 113.41 3f93 h ASP 804 Ca -0.44 0.21 -0.70 0.00 -0.39 0.00 0.00 57.03 55.70 3f93 h ASP 804 Cb 1.29 0.40 -0.34 0.00 0.68 0.00 0.00 39.33 41.36 3f93 h ASP 804 CO 0.41 -0.22 0.24 0.47 -1.61 0.00 0.00 179.24 178.53 3f93 n ASP 805 N -5.42 6.01 -4.39 2.28 10.43 -1.26 -4.99 116.55 119.21 3f93 n ASP 805 Ca 0.12 -3.69 -0.30 0.00 2.57 0.00 0.00 54.79 53.49 3f93 n ASP 805 Cb 0.43 -0.88 -0.13 0.00 1.84 0.00 0.00 41.12 42.38 3f93 n ASP 805 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3f93 s SER 806 N -2.35 3.41 -0.27 -2.24 1.04 -1.03 -4.49 113.70 107.77 3f93 s SER 806 Ca 0.44 -0.60 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 3f93 s SER 806 Cb 0.24 -0.36 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 3f93 s SER 806 CO -0.14 0.23 0.23 -0.63 0.98 0.00 0.00 173.24 173.91 3f93 s ILE 807 N -0.93 5.28 0.04 -1.02 1.09 -0.06 -4.86 121.20 120.75 3f93 s ILE 807 Ca 0.14 0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 59.65 3f93 s ILE 807 Cb -0.10 -3.57 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 3f93 s ILE 807 CO 0.05 0.24 1.07 -0.44 -0.10 0.00 0.00 174.94 175.75 3f93 s SER 808 N 1.66 7.26 -1.11 3.58 0.01 -1.25 0.08 113.70 123.93 3f93 s SER 808 Ca 0.09 1.84 -0.07 0.00 1.31 0.00 0.00 55.95 59.12 3f93 s SER 808 Cb -0.16 -2.58 0.28 0.00 0.21 0.00 0.00 66.02 63.78 3f93 s SER 808 CO 0.10 -0.32 1.37 0.18 0.41 0.00 0.00 173.24 174.98 3f93 n LEU 809 N 3.73 6.06 0.00 2.44 4.77 0.95 -4.91 117.00 130.03 3f93 n LEU 809 Ca 0.07 -5.08 -0.16 0.00 -0.03 0.00 0.00 56.01 50.80 3f93 n LEU 809 Cb 0.49 -1.38 0.15 0.00 -2.33 0.00 0.00 43.42 40.35 3f93 n LEU 809 CO 0.53 1.51 0.26 0.35 -1.33 0.00 0.00 177.39 178.71 3f93 n THR 810 N 2.09 0.00 -3.94 -5.08 -2.24 -1.26 -4.34 114.28 99.50 3f93 n THR 810 Ca 0.27 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 3f93 n THR 810 Cb 0.36 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 3f93 n THR 810 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f93 n ALA 812 N -0.47 1.41 -0.62 0.00 0.00 -1.26 -5.07 120.51 114.50 3f93 n ALA 812 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3f93 n ALA 812 Cb 0.61 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3f93 n ALA 812 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67