#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 2.29 -0.34 1.69 0.11 -1.26 -5.11 120.40 117.78 3f93 s VAL 6 Ca 0.00 -0.94 -0.16 0.00 -2.93 0.00 0.00 61.98 57.95 3f93 s VAL 6 Cb 0.00 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 3f93 s VAL 6 CO 0.00 0.55 0.41 0.21 -3.33 0.00 0.00 175.10 172.94 3f93 s ASN 7 N 0.35 6.22 -0.14 3.54 3.84 -1.26 -5.07 114.94 122.43 3f93 s ASN 7 Ca -0.17 -0.13 -0.13 0.00 0.21 0.00 0.00 52.86 52.63 3f93 s ASN 7 Cb -0.17 -2.22 -0.05 0.00 -0.55 0.00 0.00 41.25 38.26 3f93 s ASN 7 CO 0.08 -0.37 0.29 0.26 -2.79 0.00 0.00 177.10 174.57 3f93 s TRP 8 N 2.13 3.50 0.60 0.43 0.52 -1.26 -5.07 118.94 119.78 3f93 s TRP 8 Ca 0.14 0.63 -0.17 0.00 0.02 0.00 0.00 56.10 56.71 3f93 s TRP 8 Cb -0.16 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 3f93 s TRP 8 CO 0.12 0.33 1.11 -1.25 0.02 0.00 0.00 176.95 177.28 3f93 s PRO 9 N 0.17 3.11 -0.32 4.98 0.04 -1.26 -4.53 135.00 137.18 3f93 s PRO 9 Ca 0.17 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 3f93 s PRO 9 Cb -0.13 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.43 3f93 s PRO 9 CO 0.05 -1.02 0.95 -0.47 0.04 0.00 0.00 177.00 176.55 3f93 s TYR 10 N -2.11 3.15 -0.02 0.56 5.04 -1.20 -3.95 117.35 118.83 3f93 s TYR 10 Ca 0.69 0.99 0.12 0.00 -2.44 0.00 0.00 57.07 56.42 3f93 s TYR 10 Cb -0.21 -3.53 -0.18 0.00 0.35 0.00 0.00 41.96 38.39 3f93 s TYR 10 CO 0.34 -0.71 0.25 1.33 -1.34 0.00 0.00 175.55 175.42 3f93 n VAL 11 N 5.78 0.03 -0.81 3.14 0.24 -0.51 -4.74 118.33 121.47 3f93 n VAL 11 Ca 0.08 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.34 61.91 3f93 n VAL 11 Cb 0.48 0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.92 5.09 0.05 -1.34 5.15 -1.13 -4.01 115.26 117.14 3f93 n ASN 12 Ca -0.03 -2.31 0.11 0.00 -0.60 0.00 0.00 54.58 51.76 3f93 n ASN 12 Cb 0.33 -1.13 0.03 0.00 -0.53 0.00 0.00 39.78 38.48 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 3.56 0.31 -0.07 -0.44 -2.24 -1.26 -4.60 114.28 109.53 3f93 n THR 13 Ca 0.45 -0.35 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 3f93 n THR 13 Cb 0.32 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.20 0.42 -2.35 -0.78 4.81 -1.26 -4.90 118.16 111.90 3f93 n LYS 14 Ca 0.01 0.47 -0.42 0.00 -0.87 0.00 0.00 58.31 57.50 3f93 n LYS 14 Cb 0.48 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 3f93 n LYS 14 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3f93 s LEU 15 N -7.87 4.37 0.15 3.14 2.96 -1.26 -5.04 118.68 115.12 3f93 s LEU 15 Ca -0.15 2.09 0.10 0.00 -0.22 0.00 0.00 54.13 55.95 3f93 s LEU 15 Cb 0.02 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 3f93 s LEU 15 CO 0.22 -0.52 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.01 3f93 s LYS 16 N 1.12 1.77 0.61 1.98 -0.14 -1.26 -5.05 119.74 118.77 3f93 s LYS 16 Ca 0.60 -1.28 -0.19 0.00 -1.36 0.00 0.00 55.97 53.75 3f93 s LYS 16 Cb -0.31 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 3f93 s LYS 16 CO 0.29 0.45 1.25 1.03 -0.76 0.00 0.00 175.35 177.61 3f93 s ARG 17 N -2.39 2.81 -0.40 1.68 0.52 -1.26 -4.99 118.95 114.91 3f93 s ARG 17 Ca 0.20 1.94 -0.20 0.00 -0.52 0.00 0.00 55.73 57.15 3f93 s ARG 17 Cb -0.10 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.48 3f93 s ARG 17 CO 0.11 -1.36 0.58 0.34 0.02 0.00 0.00 175.30 174.99 3f93 s ASP 18 N -1.49 6.32 0.22 0.23 -1.08 -1.26 -4.98 116.67 114.63 3f93 s ASP 18 Ca 0.79 -0.22 -0.15 0.00 -0.52 0.00 0.00 52.55 52.45 3f93 s ASP 18 Cb -0.34 -2.30 0.26 0.00 -1.46 0.00 0.00 42.92 39.08 3f93 s ASP 18 CO 0.36 -0.65 1.58 -0.65 0.52 0.00 0.00 175.17 176.34 3f93 h PRO 19 N 8.68 -0.05 -0.58 4.34 0.11 -2.00 0.17 132.00 142.67 3f93 h PRO 19 Ca -0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.89 3f93 h PRO 19 Cb 1.11 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3f93 h PRO 19 CO 0.84 -0.03 0.39 0.00 -0.21 0.00 0.00 178.00 178.98 3f93 h ALA 20 N 1.47 1.74 -0.31 -0.75 0.00 -1.99 -0.37 119.26 119.06 3f93 h ALA 20 Ca 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3f93 h ALA 20 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3f93 h ALA 20 CO -0.82 0.18 0.05 0.28 0.00 0.00 0.00 179.25 178.94 3f93 h VAL 21 N 0.64 1.24 -0.21 0.00 2.07 -1.14 -2.24 116.25 116.61 3f93 h VAL 21 Ca 0.24 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3f93 h VAL 21 Cb 0.15 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3f93 h VAL 21 CO -0.07 0.27 0.07 -0.33 0.02 0.00 0.00 177.57 177.54 3f93 h GLU 22 N 0.33 0.32 -0.54 1.57 4.39 -0.20 -0.70 114.58 119.75 3f93 h GLU 22 Ca 0.09 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.81 3f93 h GLU 22 Cb 0.35 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 3f93 h GLU 22 CO 0.01 0.40 0.17 0.00 -1.16 0.00 0.00 179.01 178.42 3f93 h ALA 23 N 0.91 0.66 0.22 3.43 0.00 -1.12 -1.28 119.26 122.07 3f93 h ALA 23 Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3f93 h ALA 23 Cb 0.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3f93 h ALA 23 CO -0.00 -0.24 -0.12 1.96 0.00 0.00 0.00 179.25 180.84 3f93 h GLN 24 N 0.33 -0.31 -0.48 0.00 4.20 -1.10 -1.69 115.11 116.05 3f93 h GLN 24 Ca 0.27 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.08 3f93 h GLN 24 Cb 0.34 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 3f93 h GLN 24 CO -0.30 -0.21 -0.41 0.82 -0.67 0.00 0.00 178.83 178.05 3f93 h ILE 25 N -0.33 0.12 -0.97 2.54 2.04 -0.68 -0.07 117.51 120.16 3f93 h ILE 25 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 3f93 h ILE 25 Cb 0.26 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 3f93 h ILE 25 CO 0.03 0.00 0.62 -0.33 0.00 0.00 0.00 178.15 178.47 3f93 h GLU 26 N -0.27 1.02 -0.73 2.37 4.39 -1.10 0.11 114.58 120.37 3f93 h GLU 26 Ca 0.16 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.81 3f93 h GLU 26 Cb 0.57 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 3f93 h GLU 26 CO -0.62 0.67 0.48 -0.22 -1.16 0.00 0.00 179.01 178.16 3f93 h LYS 27 N 1.05 0.97 0.67 2.33 3.64 -0.25 0.11 116.57 125.09 3f93 h LYS 27 Ca 0.44 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3f93 h LYS 27 Cb 0.31 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3f93 h LYS 27 CO -0.19 0.65 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.24 3f93 h LEU 28 N 1.00 -0.76 -1.43 5.20 4.07 0.35 -3.31 115.31 120.42 3f93 h LEU 28 Ca 0.27 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.37 3f93 h LEU 28 Cb -0.10 0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.78 3f93 h LEU 28 CO -0.06 -0.39 0.50 -0.07 -1.08 0.00 0.00 178.44 177.35 3f93 h LEU 29 N -1.22 0.56 -1.69 1.67 3.38 -0.72 -1.10 115.31 116.18 3f93 h LEU 29 Ca -0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3f93 h LEU 29 Cb 0.69 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3f93 h LEU 29 CO 0.15 0.32 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3f93 h ALA 30 N 1.62 1.00 -0.04 1.53 0.00 -0.87 -2.77 119.26 119.73 3f93 h ALA 30 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3f93 h ALA 30 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3f93 h ALA 30 CO -0.14 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.47 3f93 n LYS 31 N -2.77 2.98 -3.63 0.00 2.85 -0.44 -5.03 118.16 112.13 3f93 n LYS 31 Ca -0.00 -1.56 -0.38 0.00 -1.05 0.00 0.00 58.31 55.32 3f93 n LYS 31 Cb 0.18 -1.03 -0.06 0.00 -0.65 0.00 0.00 35.03 33.47 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 -1.00 3.76 0.67 -1.58 -1.94 -1.05 -5.09 119.30 113.07 3f93 s MET 32 Ca 0.03 0.23 -0.11 0.00 -1.71 0.00 0.00 55.69 54.13 3f93 s MET 32 Cb 0.01 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3f93 s MET 32 CO 0.02 0.72 1.06 0.95 -0.01 0.00 0.00 175.02 177.75 3f93 s THR 33 N -1.07 4.13 0.30 2.05 -4.23 -1.26 -4.92 115.64 110.63 3f93 s THR 33 Ca 0.21 0.69 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 3f93 s THR 33 Cb -0.15 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.38 3f93 s THR 33 CO 0.11 -0.90 1.71 0.40 -0.54 0.00 0.00 174.62 175.39 3f93 h ILE 34 N -0.56 0.52 -0.02 2.99 2.04 -1.98 -1.78 117.51 118.72 3f93 h ILE 34 Ca -0.44 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3f93 h ILE 34 Cb 1.22 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3f93 h ILE 34 CO 0.61 0.09 -0.08 -0.33 0.00 0.00 0.00 178.15 178.44 3f93 h GLU 35 N 0.47 -0.12 -0.25 2.37 3.07 -1.95 -1.74 114.58 116.43 3f93 h GLU 35 Ca 0.58 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.39 3f93 h GLU 35 Cb 1.07 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3f93 h GLU 35 CO -0.50 -0.08 -0.08 1.96 -1.40 0.00 0.00 179.01 178.91 3f93 h GLN 36 N -0.13 0.39 -0.05 2.33 4.20 -1.78 -1.45 115.11 118.62 3f93 h GLN 36 Ca 0.04 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3f93 h GLN 36 Cb 0.18 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3f93 h GLN 36 CO -0.09 0.48 -0.18 0.87 -0.67 0.00 0.00 178.83 179.24 3f93 h LYS 37 N 0.37 0.22 -0.38 1.46 1.57 -1.15 -2.57 116.57 116.09 3f93 h LYS 37 Ca 0.08 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3f93 h LYS 37 Cb 0.37 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3f93 h LYS 37 CO 0.02 0.79 0.17 0.28 -0.57 0.00 0.00 179.45 180.14 3f93 h VAL 38 N -0.31 1.14 -0.81 0.50 2.07 -1.20 -2.36 116.25 115.28 3f93 h VAL 38 Ca -0.01 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3f93 h VAL 38 Cb 0.81 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3f93 h VAL 38 CO 0.04 0.17 0.40 0.00 0.02 0.00 0.00 177.57 178.19 3f93 h ALA 39 N 1.65 1.17 -0.16 1.67 0.00 -1.10 -1.00 119.26 121.49 3f93 h ALA 39 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3f93 h ALA 39 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3f93 h ALA 39 CO -0.02 0.63 0.11 1.96 0.00 0.00 0.00 179.25 181.94 3f93 h GLN 40 N 1.15 0.18 -0.03 0.00 1.08 -1.02 -0.42 115.11 116.05 3f93 h GLN 40 Ca 0.28 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3f93 h GLN 40 Cb 0.10 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3f93 h GLN 40 CO -0.04 0.12 0.00 -1.33 -0.95 0.00 0.00 178.83 176.63 3f93 n MET 41 N -4.51 1.63 -4.31 1.46 2.81 -0.40 -3.41 117.12 110.39 3f93 n MET 41 Ca -0.00 -0.92 -0.34 0.00 -1.81 0.00 0.00 57.70 54.63 3f93 n MET 41 Cb 0.10 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.04 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 -1.97 4.21 -0.31 2.02 -1.09 -1.06 0.05 121.20 123.05 3f93 s ILE 42 Ca 0.38 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 3f93 s ILE 42 Cb 0.21 -2.83 0.09 0.00 -1.58 0.00 0.00 42.46 38.34 3f93 s ILE 42 CO 0.33 0.52 0.01 -1.58 -1.23 0.00 0.00 174.94 172.99 3f93 s GLN 43 N -0.05 1.60 0.88 2.79 0.74 0.04 -3.49 119.66 122.16 3f93 s GLN 43 Ca 0.03 -1.64 -0.12 0.00 0.05 0.00 0.00 55.36 53.68 3f93 s GLN 43 Cb -0.13 -3.01 0.12 0.00 1.10 0.00 0.00 33.01 31.09 3f93 s GLN 43 CO 0.02 -0.84 1.14 -2.14 -0.55 0.00 0.00 175.29 172.92 3f93 s PRO 44 N 1.03 1.41 0.14 1.67 0.02 -1.24 -2.09 135.00 135.94 3f93 s PRO 44 Ca 0.05 0.29 0.08 0.00 0.02 0.00 0.00 61.00 61.44 3f93 s PRO 44 Cb -0.19 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3f93 s PRO 44 CO -0.09 -2.01 -0.11 -2.00 -0.33 0.00 0.00 177.00 172.46 3f93 s GLU 45 N -5.33 2.04 0.47 5.54 -6.30 -0.85 -0.21 118.70 114.06 3f93 s GLU 45 Ca 0.63 -1.16 0.22 0.00 -2.50 0.00 0.00 54.97 52.16 3f93 s GLU 45 Cb -0.14 -2.21 1.15 0.00 0.00 0.00 0.00 34.13 32.94 3f93 s GLU 45 CO 0.52 0.47 1.97 -0.84 0.02 0.00 0.00 175.26 177.40 3f93 h ILE 46 N 3.07 0.79 -0.15 -3.70 3.07 -0.98 -2.14 117.51 117.47 3f93 h ILE 46 Ca -0.48 -0.81 0.04 0.00 1.55 0.00 0.00 64.86 65.17 3f93 h ILE 46 Cb 1.18 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 3f93 h ILE 46 CO 0.52 0.20 0.24 1.23 -1.05 0.00 0.00 178.15 179.28 3f93 h GLY 47 N 1.06 0.00 0.00 0.16 0.00 -1.91 -3.18 103.07 99.20 3f93 h GLY 47 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f93 h GLY 47 CO 0.03 0.00 -0.01 -1.72 0.00 0.00 0.00 176.54 174.83 3f93 n TYR 48 N -3.50 0.00 -3.58 5.60 4.01 -0.86 -5.05 117.16 113.78 3f93 n TYR 48 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 3f93 n TYR 48 Cb 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.11 4.42 0.34 7.72 2.96 -0.88 -5.01 118.68 127.11 3f93 s LEU 49 Ca 0.00 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 3f93 s LEU 49 Cb 0.00 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 3f93 s LEU 49 CO 0.00 0.30 0.31 0.42 -1.32 0.00 0.00 176.35 176.06 3f93 s THR 50 N -0.81 3.56 0.15 3.68 -4.23 -1.26 -4.88 115.64 111.85 3f93 s THR 50 Ca 0.21 -1.34 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 3f93 s THR 50 Cb -0.15 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.52 3f93 s THR 50 CO 0.10 -0.17 1.73 0.58 -0.54 0.00 0.00 174.62 176.32 3f93 h VAL 51 N 1.22 1.20 -0.87 2.29 2.07 -1.98 -3.08 116.25 117.09 3f93 h VAL 51 Ca -0.45 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3f93 h VAL 51 Cb 1.25 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 3f93 h VAL 51 CO 0.58 0.22 0.57 -0.33 0.02 0.00 0.00 177.57 178.63 3f93 h GLU 52 N 0.65 0.96 -0.98 1.57 3.07 -1.98 -0.14 114.58 117.73 3f93 h GLU 52 Ca 0.17 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3f93 h GLU 52 Cb 0.14 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 27.79 3f93 h GLU 52 CO -0.02 0.63 0.62 1.96 -1.40 0.00 0.00 179.01 180.80 3f93 h GLN 53 N 0.99 1.30 -0.34 2.33 4.20 -1.94 -0.96 115.11 120.69 3f93 h GLN 53 Ca 0.37 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.91 3f93 h GLN 53 Cb 0.20 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3f93 h GLN 53 CO -0.14 0.89 -0.09 1.98 -0.67 0.00 0.00 178.83 180.80 3f93 h MET 54 N 1.33 0.66 -0.86 1.46 4.05 -1.01 0.51 114.93 121.07 3f93 h MET 54 Ca 0.35 -0.26 0.06 0.00 -0.28 0.00 0.00 59.70 59.57 3f93 h MET 54 Cb -0.11 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.60 3f93 h MET 54 CO -0.07 0.83 0.54 -0.09 0.23 0.00 0.00 176.91 178.35 3f93 h ARG 55 N 0.44 0.96 0.01 0.39 2.43 -0.96 0.22 114.38 117.87 3f93 h ARG 55 Ca 0.08 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 3f93 h ARG 55 Cb 0.60 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3f93 h ARG 55 CO 0.04 0.64 -0.85 -0.22 -1.51 0.00 0.00 179.97 178.06 3f93 h LYS 56 N 0.99 0.55 0.00 0.20 3.64 -0.80 -3.35 116.57 117.80 3f93 h LYS 56 Ca 0.37 -0.61 -0.31 0.00 -1.27 0.00 0.00 60.65 58.82 3f93 h LYS 56 Cb 0.14 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3f93 h LYS 56 CO -0.16 1.23 -2.18 0.66 -2.27 0.00 0.00 179.45 176.73 3f93 n TYR 57 N -4.03 0.00 -2.78 1.91 4.01 0.14 -3.34 117.16 113.06 3f93 n TYR 57 Ca -0.11 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.53 3f93 n TYR 57 Cb 0.79 -0.83 0.05 0.00 -0.31 0.00 0.00 39.34 39.04 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 2.08 -0.13 3.73 2.72 0.00 0.78 -4.83 105.19 109.54 3f93 n GLY 58 Ca -0.30 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.80 2.07 0.19 1.61 3.72 -1.26 -4.45 117.46 116.54 3f93 n PHE 59 Ca -0.14 0.43 0.03 0.00 -0.05 0.00 0.00 57.45 57.73 3f93 n PHE 59 Cb 0.59 -2.32 0.37 0.00 -0.94 0.00 0.00 39.48 37.18 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 1.18 0.00 -2.16 1.37 0.00 -1.09 -3.41 103.07 98.96 3f93 h GLY 60 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3f93 h GLY 60 CO 0.56 0.00 0.08 -1.35 0.00 0.00 0.00 176.54 175.83 3f93 s SER 61 N -6.81 -0.20 0.09 0.19 1.04 -1.25 -2.84 113.70 103.93 3f93 s SER 61 Ca -0.02 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 3f93 s SER 61 Cb 0.14 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.89 3f93 s SER 61 CO 0.71 -1.24 0.10 -0.72 0.98 0.00 0.00 173.24 173.07 3f93 s TYR 62 N -3.95 0.46 0.00 5.02 1.13 0.08 -3.73 117.35 116.36 3f93 s TYR 62 Ca 0.15 -0.92 0.06 0.00 -1.41 0.00 0.00 57.07 54.96 3f93 s TYR 62 Cb -0.03 -0.26 -0.02 0.00 -1.10 0.00 0.00 41.96 40.55 3f93 s TYR 62 CO 0.07 -0.51 -0.19 -1.17 -2.51 0.00 0.00 175.55 171.24 3f93 s LEU 63 N -2.94 2.07 -0.28 -3.49 2.96 0.71 -0.06 118.68 117.65 3f93 s LEU 63 Ca 0.11 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 3f93 s LEU 63 Cb 0.06 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 3f93 s LEU 63 CO -0.06 0.21 0.22 0.54 -1.32 0.00 0.00 176.35 175.93 3f93 s ASN 64 N -0.64 6.06 -0.73 3.68 6.03 -1.01 -0.31 114.94 128.01 3f93 s ASN 64 Ca 0.07 -0.01 -0.07 0.00 -1.03 0.00 0.00 52.86 51.82 3f93 s ASN 64 Cb -0.08 -2.13 0.19 0.00 -3.03 0.00 0.00 41.25 36.20 3f93 s ASN 64 CO -0.00 -0.09 0.60 -0.83 -2.03 0.00 0.00 177.10 174.76 3f93 s GLY 65 N 1.74 2.62 0.00 0.45 0.00 -1.26 -4.32 107.32 106.55 3f93 s GLY 65 Ca 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 44.72 41.46 3f93 s GLY 65 CO 0.11 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.99 3f93 n GLY 66 N 3.58 0.00 0.78 0.20 0.00 -1.26 -3.48 105.19 105.00 3f93 n GLY 66 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3f93 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3f93 n ASN 67 N 0.00 1.18 -4.20 1.61 5.15 -1.26 -2.53 115.26 115.21 3f93 n ASN 67 Ca 0.00 -2.67 -0.12 0.00 -0.60 0.00 0.00 54.58 51.20 3f93 n ASN 67 Cb 0.00 -0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 3f93 n ASN 67 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3f93 s THR 68 N -1.32 0.47 0.01 -0.44 -4.23 -1.23 -4.96 115.64 103.95 3f93 s THR 68 Ca 0.26 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.74 3f93 s THR 68 Cb 0.27 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 72.10 3f93 s THR 68 CO -0.07 -0.54 0.18 0.00 -0.54 0.00 0.00 174.62 173.65 3f93 s ALA 69 N -3.79 -0.41 -0.78 3.99 0.00 -1.26 -4.70 121.76 114.81 3f93 s ALA 69 Ca 0.22 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 3f93 s ALA 69 Cb 0.07 0.16 -0.18 0.00 0.00 0.00 0.00 23.12 23.16 3f93 s ALA 69 CO 0.02 -0.26 1.95 -2.30 0.00 0.00 0.00 175.76 175.17 3f93 n PRO 70 N 1.18 0.17 -0.15 0.00 -0.02 -1.26 -1.55 135.00 133.37 3f93 n PRO 70 Ca -0.21 -0.96 0.00 0.00 -2.02 0.00 0.00 63.50 60.30 3f93 n PRO 70 Cb 0.57 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 3f93 n PRO 70 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3f93 n TYR 71 N 14.91 0.00 -3.15 6.00 0.53 -1.26 -4.84 117.16 129.34 3f93 n TYR 71 Ca 0.37 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 57.21 3f93 n TYR 71 Cb 0.43 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 38.57 3f93 n TYR 71 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3f93 n GLY 72 N -2.00 -0.59 3.55 2.72 0.00 -0.60 -4.95 105.19 103.33 3f93 n GLY 72 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3f93 n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f93 n ASN 73 N 1.04 -5.86 0.00 1.61 3.02 -1.26 -5.00 115.26 108.81 3f93 n ASN 73 Ca -0.01 -0.76 0.14 0.00 -0.03 0.00 0.00 54.58 53.92 3f93 n ASN 73 Cb 0.45 -3.43 0.76 0.00 -0.61 0.00 0.00 39.78 36.95 3f93 n ASN 73 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3f93 n LYS 74 N -3.13 0.60 -0.51 3.52 2.85 -1.26 -3.31 118.16 116.92 3f93 n LYS 74 Ca -0.13 0.02 0.04 0.00 -1.05 0.00 0.00 58.31 57.19 3f93 n LYS 74 Cb 0.60 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.67 3f93 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3f93 n ARG 75 N -1.17 1.80 -1.68 -1.58 1.74 -1.26 -4.41 116.66 110.10 3f93 n ARG 75 Ca 0.16 -3.02 -0.45 0.00 -0.77 0.00 0.00 57.85 53.77 3f93 n ARG 75 Cb 0.17 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 3f93 n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f93 n ALA 76 N -1.10 1.57 -1.44 7.54 0.00 -1.21 -4.97 120.51 120.89 3f93 n ALA 76 Ca 0.23 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.80 3f93 n ALA 76 Cb 0.81 -2.40 0.14 0.00 0.00 0.00 0.00 19.45 18.00 3f93 n ALA 76 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3f93 s ASP 77 N 1.28 3.47 0.29 0.00 1.47 -1.26 -4.67 116.67 117.24 3f93 s ASP 77 Ca 0.80 1.10 0.02 0.00 1.18 0.00 0.00 52.55 55.64 3f93 s ASP 77 Cb -0.65 -1.72 0.70 0.00 -0.34 0.00 0.00 42.92 40.91 3f93 s ASP 77 CO 0.38 -2.59 1.67 -0.61 0.68 0.00 0.00 175.17 174.69 3f93 h GLN 78 N -1.52 0.26 -0.30 2.11 4.15 -1.94 -1.81 115.11 116.06 3f93 h GLN 78 Ca -0.51 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.86 3f93 h GLN 78 Cb 1.32 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3f93 h GLN 78 CO 0.60 0.17 0.05 0.00 -1.93 0.00 0.00 178.83 177.73 3f93 h ALA 79 N 1.74 1.53 0.12 3.38 0.00 -1.92 -1.82 119.26 122.28 3f93 h ALA 79 Ca 0.54 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 55.03 3f93 h ALA 79 Cb 1.07 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.74 3f93 h ALA 79 CO -0.60 0.35 -1.22 1.79 0.00 0.00 0.00 179.25 179.57 3f93 h THR 80 N 0.43 1.35 -0.16 0.00 1.35 -1.69 -0.88 112.91 113.32 3f93 h THR 80 Ca 0.10 -2.62 0.03 0.00 -0.55 0.00 0.00 66.41 63.37 3f93 h THR 80 Cb 0.21 2.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.33 3f93 h THR 80 CO -0.00 0.79 -0.05 -0.50 -0.25 0.00 0.00 175.52 175.51 3f93 h TRP 81 N 0.21 -0.11 -0.54 4.73 4.06 -1.35 -0.81 115.95 122.14 3f93 h TRP 81 Ca -0.16 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 3f93 h TRP 81 Cb 1.89 0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 30.10 3f93 h TRP 81 CO 0.09 -0.08 0.31 -0.07 -3.56 0.00 0.00 178.44 175.13 3f93 h LEU 82 N -0.01 0.67 -0.81 -4.49 3.38 -1.34 0.44 115.31 113.15 3f93 h LEU 82 Ca 0.08 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3f93 h LEU 82 Cb 0.13 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3f93 h LEU 82 CO -0.18 0.56 0.48 0.50 0.09 0.00 0.00 178.44 179.89 3f93 h LYS 83 N 0.73 0.81 -0.11 1.13 1.63 -1.03 0.18 116.57 119.91 3f93 h LYS 83 Ca 0.19 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3f93 h LYS 83 Cb 0.03 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 3f93 h LYS 83 CO -0.03 0.54 -0.08 -0.92 -3.45 0.00 0.00 179.45 175.50 3f93 h TYR 84 N 0.84 0.29 -0.46 1.91 3.20 -0.59 -1.94 116.97 120.21 3f93 h TYR 84 Ca 0.37 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3f93 h TYR 84 Cb 0.27 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3f93 h TYR 84 CO -0.05 0.63 0.31 0.00 -1.64 0.00 0.00 178.16 177.41 3f93 h ALA 85 N 0.61 1.98 -0.10 1.82 0.00 0.35 -2.42 119.26 121.49 3f93 h ALA 85 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3f93 h ALA 85 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3f93 h ALA 85 CO 0.02 -0.07 -0.08 -0.44 0.00 0.00 0.00 179.25 178.69 3f93 h ASP 86 N 0.36 0.24 -0.82 0.00 5.19 -0.38 -2.07 116.42 118.94 3f93 h ASP 86 Ca 0.20 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 3f93 h ASP 86 Cb 0.36 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 3f93 h ASP 86 CO -0.05 0.65 0.43 -0.33 -3.12 0.00 0.00 179.24 176.82 3f93 h GLU 87 N -0.16 1.15 -0.02 3.56 5.08 -0.87 0.55 114.58 123.88 3f93 h GLU 87 Ca 0.02 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3f93 h GLU 87 Cb 0.57 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3f93 h GLU 87 CO 0.02 0.86 0.00 0.52 -1.00 0.00 0.00 179.01 179.41 3f93 h MET 88 N 1.14 0.03 0.10 2.33 2.86 -1.52 0.17 114.93 120.06 3f93 h MET 88 Ca 0.29 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.94 3f93 h MET 88 Cb 0.06 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 3f93 h MET 88 CO -0.04 0.32 -0.37 -0.92 1.06 0.00 0.00 176.91 176.96 3f93 h TYR 89 N -0.26 -1.01 -0.65 -0.22 3.20 -1.15 0.32 116.97 117.20 3f93 h TYR 89 Ca 0.01 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3f93 h TYR 89 Cb 0.31 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 3f93 h TYR 89 CO 0.03 -0.47 0.43 -0.07 -1.64 0.00 0.00 178.16 176.44 3f93 h LEU 90 N -0.58 0.56 -0.38 2.82 3.38 -0.78 0.14 115.31 120.47 3f93 h LEU 90 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3f93 h LEU 90 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3f93 h LEU 90 CO -0.23 0.36 0.08 0.00 0.09 0.00 0.00 178.44 178.75 3f93 h ALA 91 N 1.65 0.51 0.00 1.53 0.00 -0.02 -2.59 119.26 120.34 3f93 h ALA 91 Ca 0.28 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3f93 h ALA 91 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3f93 h ALA 91 CO -0.09 0.20 -0.53 0.00 0.00 0.00 0.00 179.25 178.83 3f93 h ALA 92 N 0.93 1.03 0.00 0.00 0.00 0.29 -2.78 119.26 118.72 3f93 h ALA 92 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3f93 h ALA 92 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f93 h ALA 92 CO 0.00 0.67 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 3f93 n MET 93 N -3.77 0.45 -3.25 0.00 2.00 0.38 -3.93 117.12 108.99 3f93 n MET 93 Ca -0.01 0.01 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 3f93 n MET 93 Cb 0.57 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.21 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 -2.54 6.33 0.00 7.83 2.15 -0.99 -4.75 116.67 124.70 3f93 s ASP 94 Ca 0.29 0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.50 3f93 s ASP 94 Cb 0.20 -2.27 0.65 0.00 -0.30 0.00 0.00 42.92 41.20 3f93 s ASP 94 CO 0.44 -0.44 1.47 -1.54 -0.17 0.00 0.00 175.17 174.93 3f93 n SER 95 N 5.70 1.32 -0.28 -0.34 3.41 -1.26 -4.52 113.62 117.65 3f93 n SER 95 Ca -0.05 -1.75 0.10 0.00 -0.26 0.00 0.00 58.87 56.92 3f93 n SER 95 Cb 0.49 -0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.58 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 1.65 0.40 0.00 6.66 2.02 -1.89 -0.32 112.91 121.43 3f93 h THR 96 Ca 0.00 -0.09 -0.26 0.00 0.77 0.00 0.00 66.41 66.83 3f93 h THR 96 Cb 0.37 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3f93 h THR 96 CO 0.00 0.05 -1.91 0.18 0.37 0.00 0.00 175.52 174.21 3f93 n LEU 97 N -5.19 1.83 0.16 2.58 4.77 -1.26 -4.62 117.00 115.28 3f93 n LEU 97 Ca 0.19 0.10 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 3f93 n LEU 97 Cb 0.59 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3f93 n LEU 97 CO 0.09 0.50 0.51 -2.24 -1.33 0.00 0.00 177.39 174.92 3f93 h ASP 98 N -0.38 0.00 0.00 -1.43 2.03 -1.65 -3.48 116.42 111.51 3f93 h ASP 98 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3f93 h ASP 98 Cb 1.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 3f93 h ASP 98 CO -0.18 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 178.88 3f93 n GLY 99 N 1.18 0.51 3.33 7.15 0.00 -0.13 -4.90 105.19 112.32 3f93 n GLY 99 Ca 0.02 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 0.04 -0.66 -0.61 1.10 -1.26 -5.00 121.20 112.81 3f93 s ILE 100 Ca 0.00 -0.29 0.05 0.00 -0.51 0.00 0.00 60.65 59.89 3f93 s ILE 100 Cb 0.00 -0.72 0.29 0.00 0.15 0.00 0.00 42.46 42.18 3f93 s ILE 100 CO 0.00 -0.16 0.92 0.00 -2.11 0.00 0.00 174.94 173.59 3f93 n ALA 101 N 1.36 4.46 -2.68 1.50 0.00 -1.26 -4.20 120.51 119.70 3f93 n ALA 101 Ca -0.20 -4.75 -0.37 0.00 0.00 0.00 0.00 53.44 48.13 3f93 n ALA 101 Cb 0.56 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.32 5.33 0.40 0.00 1.01 -1.25 -4.88 121.20 118.49 3f93 s ILE 102 Ca 0.43 0.31 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 3f93 s ILE 102 Cb 0.19 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 3f93 s ILE 102 CO -0.06 0.34 1.34 -2.84 0.00 0.00 0.00 174.94 173.73 3f93 s PRO 103 N 0.96 3.98 0.64 2.79 0.02 -1.26 -4.54 135.00 137.60 3f93 s PRO 103 Ca 0.10 2.25 -0.05 0.00 0.02 0.00 0.00 61.00 63.33 3f93 s PRO 103 Cb -0.13 -2.80 0.04 0.00 0.02 0.00 0.00 34.50 31.63 3f93 s PRO 103 CO 0.04 -0.51 0.93 -0.08 -0.33 0.00 0.00 177.00 177.05 3f93 s THR 104 N -1.22 2.71 0.07 0.99 -1.32 -1.26 -4.94 115.64 110.67 3f93 s THR 104 Ca 0.56 -0.30 0.06 0.00 -1.21 0.00 0.00 61.69 60.80 3f93 s THR 104 Cb -0.40 -3.12 -0.03 0.00 -1.51 0.00 0.00 72.50 67.45 3f93 s THR 104 CO 0.52 -0.11 -0.16 0.68 -2.21 0.00 0.00 174.62 173.34 3f93 s VAL 105 N -3.07 1.28 -0.22 5.08 -7.23 -1.13 -4.92 120.40 110.18 3f93 s VAL 105 Ca 0.58 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 3f93 s VAL 105 Cb -0.11 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3f93 s VAL 105 CO 0.43 -0.12 0.36 0.86 -0.31 0.00 0.00 175.10 176.32 3f93 s TRP 106 N -1.14 3.34 -0.02 2.82 -0.11 -1.26 -0.74 118.94 121.83 3f93 s TRP 106 Ca 0.01 0.52 0.02 0.00 1.22 0.00 0.00 56.10 57.87 3f93 s TRP 106 Cb -0.09 -2.50 -0.03 0.00 -1.50 0.00 0.00 33.47 29.35 3f93 s TRP 106 CO 0.02 -0.04 -0.05 0.20 -4.62 0.00 0.00 176.95 172.46 3f93 s GLY 107 N 1.16 1.77 0.01 5.86 0.00 0.91 -2.64 107.32 114.39 3f93 s GLY 107 Ca 0.16 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.94 3f93 s GLY 107 CO 0.08 -0.80 -0.04 -1.08 0.00 0.00 0.00 173.10 171.26 3f93 s THR 108 N -0.96 0.31 -0.29 0.90 -1.32 0.60 -2.42 115.64 112.46 3f93 s THR 108 Ca 0.16 -0.48 -0.26 0.00 -1.21 0.00 0.00 61.69 59.91 3f93 s THR 108 Cb -0.11 -0.32 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 3f93 s THR 108 CO 0.06 -0.12 0.90 -0.62 -2.21 0.00 0.00 174.62 172.64 3f93 s ASP 109 N -0.64 6.81 -0.87 8.08 -1.08 -1.26 0.26 116.67 127.97 3f93 s ASP 109 Ca -0.04 0.90 -0.00 0.00 -0.52 0.00 0.00 52.55 52.89 3f93 s ASP 109 Cb -0.05 -2.46 0.24 0.00 -1.46 0.00 0.00 42.92 39.19 3f93 s ASP 109 CO -0.00 -0.68 0.87 0.00 0.52 0.00 0.00 175.17 175.88 3f93 n ALA 110 N 6.38 4.04 -0.13 3.66 0.00 -1.07 -4.47 120.51 128.92 3f93 n ALA 110 Ca 0.07 -4.66 -0.09 0.00 0.00 0.00 0.00 53.44 48.76 3f93 n ALA 110 Cb 0.47 -1.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 3f93 n ALA 110 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3f93 h MET 111 N 5.53 0.57 -0.70 0.00 4.05 -1.91 -3.39 114.93 119.08 3f93 h MET 111 Ca 0.18 -0.08 -0.33 0.00 -0.28 0.00 0.00 59.70 59.19 3f93 h MET 111 Cb 0.75 -0.10 -0.24 0.00 -0.80 0.00 0.00 31.60 31.21 3f93 h MET 111 CO 0.92 0.50 -0.71 -2.39 0.23 0.00 0.00 176.91 175.46 3f93 n HIS 112 N -4.70 -1.87 0.00 1.39 1.44 -1.26 -4.75 115.22 105.47 3f93 n HIS 112 Ca -0.00 -2.68 0.00 0.00 -2.01 0.00 0.00 57.72 53.03 3f93 n HIS 112 Cb 0.11 0.92 0.00 0.00 0.12 0.00 0.00 29.99 31.14 3f93 n HIS 112 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3f93 n GLY 113 N 0.47 0.53 3.05 -1.39 0.00 -1.26 -0.79 105.19 105.79 3f93 n GLY 113 Ca 0.13 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 0.23 2.25 0.50 1.61 -0.00 -1.26 -4.47 115.22 114.07 3f93 n HIS 114 Ca 0.00 -2.03 0.13 0.00 0.46 0.00 0.00 57.72 56.27 3f93 n HIS 114 Cb 0.00 -1.91 0.45 0.00 -0.12 0.00 0.00 29.99 28.41 3f93 n HIS 114 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3f93 n SER 115 N 7.44 0.78 0.10 0.26 3.41 -1.26 -1.96 113.62 122.39 3f93 n SER 115 Ca 0.50 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.86 3f93 n SER 115 Cb 0.40 -0.82 0.45 0.00 -0.26 0.00 0.00 64.21 63.98 3f93 n SER 115 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3f93 n ASN 116 N -2.29 0.69 -4.80 4.04 3.02 -1.26 0.13 115.26 114.78 3f93 n ASN 116 Ca 0.04 0.60 -0.38 0.00 -0.03 0.00 0.00 54.58 54.81 3f93 n ASN 116 Cb 0.33 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 3f93 n ASN 116 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f93 s VAL 117 N -3.17 5.00 -0.13 2.41 1.01 -0.83 -4.48 120.40 120.21 3f93 s VAL 117 Ca 0.08 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 3f93 s VAL 117 Cb 0.11 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3f93 s VAL 117 CO 0.51 0.51 1.62 -0.47 0.00 0.00 0.00 175.10 177.27 3f93 s TYR 118 N -0.66 2.07 0.00 5.22 5.04 -1.26 -2.19 117.35 125.57 3f93 s TYR 118 Ca 0.25 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 3f93 s TYR 118 Cb -0.17 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.23 3f93 s TYR 118 CO 0.14 -3.35 0.00 0.41 -1.34 0.00 0.00 175.55 171.41 3f93 n GLY 119 N 4.33 0.57 3.82 8.97 0.00 -1.26 -4.91 105.19 116.70 3f93 n GLY 119 Ca 0.18 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 3.26 0.25 4.61 0.00 -0.93 -3.41 121.76 123.54 3f93 s ALA 120 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 3f93 s ALA 120 Cb 0.00 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 3f93 s ALA 120 CO 0.00 0.25 1.58 0.99 0.00 0.00 0.00 175.76 178.58 3f93 s THR 121 N -1.80 2.27 -0.26 0.00 2.01 -1.26 -4.85 115.64 111.74 3f93 s THR 121 Ca 0.52 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.68 3f93 s THR 121 Cb -0.14 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3f93 s THR 121 CO 0.19 0.03 0.02 -0.76 -0.69 0.00 0.00 174.62 173.41 3f93 s LEU 122 N 0.06 3.40 0.64 4.42 1.43 -1.26 -4.24 118.68 123.13 3f93 s LEU 122 Ca 0.65 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 3f93 s LEU 122 Cb -0.46 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3f93 s LEU 122 CO 0.42 -0.11 0.98 -0.36 0.23 0.00 0.00 176.35 177.51 3f93 s PHE 123 N 1.48 3.24 0.57 0.29 0.08 0.03 -1.34 117.98 122.34 3f93 s PHE 123 Ca 0.04 0.77 -0.21 0.00 0.12 0.00 0.00 56.93 57.65 3f93 s PHE 123 Cb -0.16 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 3f93 s PHE 123 CO -0.00 -1.01 1.31 -2.30 -0.10 0.00 0.00 175.22 173.12 3f93 n PRO 124 N -2.77 1.49 -0.75 0.24 -0.02 -1.16 -4.11 135.00 127.92 3f93 n PRO 124 Ca 0.06 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 3f93 n PRO 124 Cb 0.58 -2.53 0.19 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.32 1.68 0.34 6.00 3.76 0.07 -4.73 115.29 121.09 3f93 s HIS 125 Ca 0.75 1.48 0.06 0.00 -0.15 0.00 0.00 55.06 57.19 3f93 s HIS 125 Cb -0.41 -3.21 0.72 0.00 1.11 0.00 0.00 32.58 30.79 3f93 s HIS 125 CO 0.47 -3.08 1.91 -0.91 -0.85 0.00 0.00 174.74 172.28 3f93 h ASN 126 N -2.06 0.72 -0.42 1.40 4.21 -1.67 -2.58 115.58 115.18 3f93 h ASN 126 Ca -0.51 0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.10 3f93 h ASN 126 Cb 1.29 -0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 38.29 3f93 h ASN 126 CO 0.47 0.43 -0.04 -0.29 -1.29 0.00 0.00 177.43 176.71 3f93 h ILE 127 N 0.80 0.64 -0.52 2.81 2.10 -0.96 0.42 117.51 122.79 3f93 h ILE 127 Ca 0.38 -0.02 -0.11 0.00 1.08 0.00 0.00 64.86 66.19 3f93 h ILE 127 Cb 0.43 0.56 -0.02 0.00 -1.09 0.00 0.00 36.82 36.70 3f93 h ILE 127 CO -0.15 0.01 -0.11 1.23 -1.08 0.00 0.00 178.15 178.04 3f93 h GLY 128 N 0.07 1.09 1.46 8.18 0.00 -1.77 -1.63 103.07 110.47 3f93 h GLY 128 Ca 0.21 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.67 3f93 h GLY 128 CO -0.38 0.81 0.32 1.41 0.00 0.00 0.00 176.54 178.70 3f93 h LEU 129 N 0.87 0.49 0.31 3.11 3.38 -1.17 -1.13 115.31 121.17 3f93 h LEU 129 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3f93 h LEU 129 Cb 0.68 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3f93 h LEU 129 CO 0.05 0.34 -0.31 1.23 0.09 0.00 0.00 178.44 179.84 3f93 h GLY 130 N 0.57 -0.72 1.26 0.83 0.00 0.32 -2.60 103.07 102.74 3f93 h GLY 130 Ca 0.19 0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.96 3f93 h GLY 130 CO -0.04 -0.27 0.28 0.00 0.00 0.00 0.00 176.54 176.51 3f93 h ALA 131 N -0.11 2.05 0.00 3.60 0.00 -0.29 -1.74 119.26 122.77 3f93 h ALA 131 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3f93 h ALA 131 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3f93 h ALA 131 CO -0.06 -0.44 -0.19 0.00 0.00 0.00 0.00 179.25 178.56 3f93 h ALA 132 N 1.71 1.39 -6.46 0.00 0.00 -0.94 0.45 119.26 115.42 3f93 h ALA 132 Ca 0.14 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.39 3f93 h ALA 132 Cb 0.71 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3f93 h ALA 132 CO -0.00 0.24 -0.88 0.54 0.00 0.00 0.00 179.25 179.15 3f93 n ARG 133 N -3.88 -3.48 -3.59 0.00 5.12 -0.65 -4.83 116.66 105.35 3f93 n ARG 133 Ca -0.02 0.43 -0.29 0.00 -1.93 0.00 0.00 57.85 56.04 3f93 n ARG 133 Cb 0.28 -4.62 -0.13 0.00 -1.16 0.00 0.00 32.46 26.83 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 -4.34 3.45 0.15 0.55 -1.08 -1.26 -4.99 116.67 109.14 3f93 s ASP 134 Ca 0.02 -2.02 -0.14 0.00 -0.52 0.00 0.00 52.55 49.90 3f93 s ASP 134 Cb -0.01 -0.63 0.02 0.00 -1.46 0.00 0.00 42.92 40.83 3f93 s ASP 134 CO 0.88 -0.34 1.66 0.71 0.52 0.00 0.00 175.17 178.60 3f93 h THR 135 N 5.63 1.23 -0.95 1.71 1.35 -1.96 -1.65 112.91 118.26 3f93 h THR 135 Ca -0.04 -0.78 0.14 0.00 -0.55 0.00 0.00 66.41 65.18 3f93 h THR 135 Cb 0.98 0.84 -0.09 0.00 -1.73 0.00 0.00 68.15 68.14 3f93 h THR 135 CO 0.39 0.28 0.57 -0.78 -0.25 0.00 0.00 175.52 175.73 3f93 h ASP 136 N 0.63 0.78 -0.65 5.36 3.58 -2.00 -1.07 116.42 123.06 3f93 h ASP 136 Ca 0.15 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 3f93 h ASP 136 Cb 0.29 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3f93 h ASP 136 CO -0.00 0.36 0.20 0.25 -2.88 0.00 0.00 179.24 177.16 3f93 h LEU 137 N 0.83 0.97 0.04 2.28 5.85 -1.73 -2.08 115.31 121.46 3f93 h LEU 137 Ca 0.51 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3f93 h LEU 137 Cb 0.64 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3f93 h LEU 137 CO -0.32 0.91 -0.02 0.40 -0.34 0.00 0.00 178.44 179.08 3f93 h ILE 138 N 1.00 1.28 -0.88 4.05 1.08 -0.71 -1.75 117.51 121.57 3f93 h ILE 138 Ca 0.22 -1.02 0.20 0.00 -0.39 0.00 0.00 64.86 63.87 3f93 h ILE 138 Cb 0.30 1.95 -0.12 0.00 -3.07 0.00 0.00 36.82 35.89 3f93 h ILE 138 CO -0.01 0.26 0.40 0.50 -0.69 0.00 0.00 178.15 178.61 3f93 h LYS 139 N -0.50 0.43 -0.07 2.37 3.64 -1.15 -0.52 116.57 120.76 3f93 h LYS 139 Ca -0.00 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 3f93 h LYS 139 Cb 0.46 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3f93 h LYS 139 CO 0.01 0.29 -0.49 0.00 -2.27 0.00 0.00 179.45 176.98 3f93 h ARG 140 N 0.45 0.18 -0.38 1.90 3.08 -1.02 -1.59 114.38 117.01 3f93 h ARG 140 Ca 0.54 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.39 3f93 h ARG 140 Cb 0.96 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3f93 h ARG 140 CO -0.49 0.64 -0.13 0.82 -1.07 0.00 0.00 179.97 179.74 3f93 h ILE 141 N 0.15 1.25 -0.71 2.04 2.04 -0.32 -1.77 117.51 120.20 3f93 h ILE 141 Ca 0.01 -1.15 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3f93 h ILE 141 Cb 0.92 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3f93 h ILE 141 CO 0.07 0.39 0.17 1.23 0.00 0.00 0.00 178.15 180.01 3f93 h GLY 142 N 0.97 1.22 1.40 5.37 0.00 -0.58 0.37 103.07 111.82 3f93 h GLY 142 Ca 0.10 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3f93 h GLY 142 CO 0.04 0.71 -0.31 1.46 0.00 0.00 0.00 176.54 178.44 3f93 h GLN 143 N 1.07 0.68 -0.23 4.80 4.20 -1.01 0.10 115.11 124.71 3f93 h GLN 143 Ca 0.22 -0.31 -0.20 0.00 0.06 0.00 0.00 58.65 58.43 3f93 h GLN 143 Cb 0.38 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3f93 h GLN 143 CO 0.00 0.90 -0.62 0.00 -0.67 0.00 0.00 178.83 178.44 3f93 h ALA 144 N 1.08 0.45 -0.25 3.87 0.00 -1.19 -2.01 119.26 121.21 3f93 h ALA 144 Ca 0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3f93 h ALA 144 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3f93 h ALA 144 CO 0.07 0.69 -0.07 1.15 0.00 0.00 0.00 179.25 181.09 3f93 h THR 145 N 0.60 1.29 -0.95 0.00 2.02 -0.82 -0.60 112.91 114.45 3f93 h THR 145 Ca -0.01 -1.09 0.20 0.00 0.77 0.00 0.00 66.41 66.29 3f93 h THR 145 Cb 1.23 1.48 -0.11 0.00 -1.74 0.00 0.00 68.15 69.01 3f93 h THR 145 CO 0.13 0.34 0.52 0.00 0.37 0.00 0.00 175.52 176.88 3f93 h ALA 146 N 0.76 1.57 -0.27 6.16 0.00 -0.71 -0.75 119.26 126.02 3f93 h ALA 146 Ca 0.06 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3f93 h ALA 146 Cb 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3f93 h ALA 146 CO 0.03 -0.19 -0.42 0.87 0.00 0.00 0.00 179.25 179.54 3f93 h LYS 147 N 0.60 0.76 -0.52 0.00 1.57 -0.77 0.75 116.57 118.95 3f93 h LYS 147 Ca 0.57 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3f93 h LYS 147 Cb 0.98 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3f93 h LYS 147 CO -0.44 1.09 -0.14 0.93 -0.57 0.00 0.00 179.45 180.32 3f93 h GLU 148 N 0.51 1.01 0.60 3.15 5.08 -0.56 -0.15 114.58 124.20 3f93 h GLU 148 Ca 0.02 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3f93 h GLU 148 Cb 1.02 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.22 3f93 h GLU 148 CO 0.10 1.07 -0.29 0.28 -1.00 0.00 0.00 179.01 179.17 3f93 h VAL 149 N 0.88 0.39 -0.95 3.13 2.07 -1.17 -2.95 116.25 117.65 3f93 h VAL 149 Ca 0.13 -0.11 0.22 0.00 0.82 0.00 0.00 66.70 67.76 3f93 h VAL 149 Cb 0.71 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 3f93 h VAL 149 CO 0.05 0.02 0.51 0.00 0.02 0.00 0.00 177.57 178.17 3f93 h ALA 150 N -0.50 1.60 -0.16 1.67 0.00 -0.67 0.26 119.26 121.46 3f93 h ALA 150 Ca -0.08 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3f93 h ALA 150 Cb 0.64 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3f93 h ALA 150 CO 0.13 -0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.33 3f93 h ALA 151 N 1.69 1.73 -0.23 0.00 0.00 -0.84 -1.18 119.26 120.42 3f93 h ALA 151 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3f93 h ALA 151 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3f93 h ALA 151 CO -0.47 -0.28 0.00 0.25 0.00 0.00 0.00 179.25 178.76 3f93 n THR 152 N -3.72 0.28 -1.73 0.00 -2.24 0.92 -4.84 114.28 102.95 3f93 n THR 152 Ca 0.01 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3f93 n THR 152 Cb 0.31 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.40 0.48 3.58 3.38 0.00 -0.45 -3.65 105.19 109.93 3f93 n GLY 153 Ca 0.17 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 4.14 -0.13 -0.61 1.01 -1.21 -4.79 121.20 117.61 3f93 s ILE 154 Ca 0.00 -0.28 0.18 0.00 0.00 0.00 0.00 60.65 60.55 3f93 s ILE 154 Cb 0.00 -2.80 -0.17 0.00 0.01 0.00 0.00 42.46 39.50 3f93 s ILE 154 CO 0.00 0.53 0.68 -0.62 0.00 0.00 0.00 174.94 175.52 3f93 n GLU 155 N 3.07 0.64 -4.22 2.79 4.71 -1.09 -4.09 120.64 122.45 3f93 n GLU 155 Ca -0.18 0.13 -0.26 0.00 -0.01 0.00 0.00 57.16 56.85 3f93 n GLU 155 Cb 0.53 -1.73 -0.17 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 -2.95 1.47 -0.08 -0.32 -0.00 -1.08 -0.24 118.94 115.74 3f93 s TRP 156 Ca -0.05 -0.65 0.02 0.00 -0.00 0.00 0.00 56.10 55.43 3f93 s TRP 156 Cb 0.09 -1.15 0.01 0.00 -0.00 0.00 0.00 33.47 32.42 3f93 s TRP 156 CO 0.83 -0.40 -0.13 -1.54 -0.00 0.00 0.00 176.95 175.70 3f93 s SER 157 N 1.21 1.97 -0.53 5.86 1.04 0.81 -0.29 113.70 123.78 3f93 s SER 157 Ca -0.04 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.78 3f93 s SER 157 Cb -0.14 -0.90 0.01 0.00 0.10 0.00 0.00 66.02 65.09 3f93 s SER 157 CO -0.03 0.03 1.42 -0.36 0.98 0.00 0.00 173.24 175.28 3f93 s PHE 158 N 0.77 2.30 0.00 5.02 2.99 0.14 -2.02 117.98 127.18 3f93 s PHE 158 Ca -0.12 0.53 0.00 0.00 0.00 0.00 0.00 56.93 57.33 3f93 s PHE 158 Cb -0.16 -4.37 0.00 0.00 0.00 0.00 0.00 43.02 38.49 3f93 s PHE 158 CO 0.02 -1.98 0.00 0.00 -0.00 0.00 0.00 175.22 173.27 3f93 n ALA 159 N 9.46 0.00 -1.72 5.36 0.00 0.97 -2.60 120.51 131.98 3f93 n ALA 159 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3f93 n ALA 159 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.00 2.49 -0.11 0.00 0.04 -1.23 -3.04 135.00 131.16 3f93 s PRO 160 Ca 0.00 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 3f93 s PRO 160 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3f93 s PRO 160 CO 0.00 -1.32 0.51 0.99 0.04 0.00 0.00 177.00 177.22 3f93 s THR 161 N -3.25 5.17 -0.10 1.26 2.01 -1.25 -0.80 115.64 118.68 3f93 s THR 161 Ca 0.59 1.02 0.15 0.00 0.31 0.00 0.00 61.69 63.76 3f93 s THR 161 Cb -0.13 -3.84 0.22 0.00 0.01 0.00 0.00 72.50 68.76 3f93 s THR 161 CO 0.53 0.32 1.11 1.33 -0.69 0.00 0.00 174.62 177.22 3f93 n VAL 162 N 3.67 1.58 -1.74 3.82 0.24 0.17 -4.66 118.33 121.40 3f93 n VAL 162 Ca -0.06 -1.87 -0.42 0.00 -2.04 0.00 0.00 64.34 59.95 3f93 n VAL 162 Cb 0.52 -0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.82 3f93 n VAL 162 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f93 n ALA 163 N -1.17 1.95 -3.75 2.33 0.00 -1.26 -4.61 120.51 114.00 3f93 n ALA 163 Ca 0.12 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 3f93 n ALA 163 Cb 0.60 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.58 3f93 n ALA 163 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3f93 s VAL 164 N -0.95 3.43 0.02 0.00 1.01 -1.26 -4.33 120.40 118.32 3f93 s VAL 164 Ca 0.56 -2.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.20 3f93 s VAL 164 Cb -0.52 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3f93 s VAL 164 CO 0.61 -0.72 0.58 0.54 0.00 0.00 0.00 175.10 176.11 3f93 s VAL 165 N 1.03 4.86 -0.02 2.92 0.11 -1.16 -4.39 120.40 123.76 3f93 s VAL 165 Ca 0.09 1.23 0.05 0.00 -2.93 0.00 0.00 61.98 60.42 3f93 s VAL 165 Cb -0.23 -3.92 -0.08 0.00 -1.53 0.00 0.00 36.38 30.62 3f93 s VAL 165 CO -0.04 0.46 0.09 0.54 -3.33 0.00 0.00 175.10 172.82 3f93 n ARG 166 N 2.45 1.03 -3.87 1.54 5.12 0.13 -4.08 116.66 118.98 3f93 n ARG 166 Ca -0.08 -0.04 -0.27 0.00 -1.93 0.00 0.00 57.85 55.54 3f93 n ARG 166 Cb 0.51 -1.13 -0.17 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.93 2.39 0.00 0.55 -1.08 -1.26 -4.25 116.67 110.08 3f93 s ASP 167 Ca -0.02 -0.44 0.30 0.00 -0.52 0.00 0.00 52.55 51.87 3f93 s ASP 167 Cb 0.03 -0.80 1.61 0.00 -1.46 0.00 0.00 42.92 42.31 3f93 s ASP 167 CO 0.23 -0.17 2.09 0.47 0.52 0.00 0.00 175.17 178.31 3f93 n ASP 168 N 4.95 0.00 0.10 -0.34 8.00 -1.20 -2.53 116.55 125.54 3f93 n ASP 168 Ca -0.11 -0.37 0.09 0.00 0.71 0.00 0.00 54.79 55.11 3f93 n ASP 168 Cb 0.49 -0.21 0.43 0.00 -0.02 0.00 0.00 41.12 41.81 3f93 n ASP 168 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3f93 n ARG 169 N -1.21 0.12 -2.07 -1.24 1.74 -1.26 -4.72 116.66 108.02 3f93 n ARG 169 Ca 0.17 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 3f93 n ARG 169 Cb 0.20 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 3f93 n ARG 169 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3f93 s TRP 170 N -3.29 3.12 -1.03 -1.55 -0.00 -1.05 -1.90 118.94 113.25 3f93 s TRP 170 Ca 0.02 0.79 0.01 0.00 -0.00 0.00 0.00 56.10 56.93 3f93 s TRP 170 Cb 0.07 -3.79 0.05 0.00 -0.00 0.00 0.00 33.47 29.81 3f93 s TRP 170 CO 0.27 -2.84 1.03 0.41 -0.00 0.00 0.00 176.95 175.82 3f93 n GLY 171 N 3.62 -0.53 0.44 5.86 0.00 -1.24 -2.29 105.19 111.06 3f93 n GLY 171 Ca 0.13 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.49 1.71 -0.33 1.61 1.74 -1.26 -3.99 116.66 114.66 3f93 n ARG 172 Ca 0.00 -2.83 -0.00 0.00 -0.77 0.00 0.00 57.85 54.24 3f93 n ARG 172 Cb 0.01 -1.62 0.13 0.00 -1.02 0.00 0.00 32.46 29.96 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 0.64 1.13 0.00 0.55 2.02 -1.70 -1.46 112.91 114.10 3f93 h THR 173 Ca 0.02 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3f93 h THR 173 Cb 1.15 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3f93 h THR 173 CO 0.08 0.20 0.00 0.10 0.37 0.00 0.00 175.52 176.28 3f93 h TYR 174 N 1.12 0.00 0.00 3.16 -0.00 -1.42 -2.55 116.97 117.27 3f93 h TYR 174 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 3f93 h TYR 174 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.77 3f93 h TYR 174 CO -0.02 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.53 3f93 n GLU 175 N -2.71 0.17 -4.12 0.10 1.02 -0.55 -2.10 120.64 112.45 3f93 n GLU 175 Ca 0.00 0.10 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 3f93 n GLU 175 Cb 0.20 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.77 5.08 0.37 1.62 0.15 -0.96 -4.61 113.70 112.58 3f93 s SER 176 Ca 0.16 -0.16 0.20 0.00 0.70 0.00 0.00 55.95 56.85 3f93 s SER 176 Cb 0.15 -1.23 0.50 0.00 -1.71 0.00 0.00 66.02 63.73 3f93 s SER 176 CO 0.37 0.17 1.64 1.88 1.20 0.00 0.00 173.24 178.50 3f93 h TYR 177 N 3.38 0.00 -1.18 3.44 0.05 -1.75 -2.02 116.97 118.90 3f93 h TYR 177 Ca -0.48 0.00 0.26 0.00 0.05 0.00 0.00 58.73 58.57 3f93 h TYR 177 Cb 1.17 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.67 3f93 h TYR 177 CO 0.61 0.32 0.91 0.45 -1.05 0.00 0.00 178.16 179.39 3f93 s SER 178 N -6.31 -0.07 0.38 3.88 0.15 -1.26 -3.95 113.70 106.52 3f93 s SER 178 Ca 0.03 0.04 0.25 0.00 0.70 0.00 0.00 55.95 56.97 3f93 s SER 178 Cb 0.09 0.07 0.62 0.00 -1.71 0.00 0.00 66.02 65.08 3f93 s SER 178 CO 0.69 -0.09 1.70 1.05 1.20 0.00 0.00 173.24 177.79 3f93 h GLU 179 N 2.05 0.00 -5.23 5.44 4.11 -1.61 -3.06 114.58 116.29 3f93 h GLU 179 Ca -0.07 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.76 3f93 h GLU 179 Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 3f93 h GLU 179 CO 0.22 0.00 -0.49 0.34 0.07 0.00 0.00 179.01 179.14 3f93 s ASP 180 N -5.59 6.19 0.31 3.06 2.15 -1.26 -4.64 116.67 116.88 3f93 s ASP 180 Ca 0.07 0.20 -0.00 0.00 0.43 0.00 0.00 52.55 53.25 3f93 s ASP 180 Cb 0.08 -2.09 0.48 0.00 -0.30 0.00 0.00 42.92 41.08 3f93 s ASP 180 CO 0.62 0.15 1.92 -0.65 -0.17 0.00 0.00 175.17 177.04 3f93 h PRO 181 N 6.87 0.90 -0.32 4.34 0.11 -1.89 -3.00 132.00 139.02 3f93 h PRO 181 Ca -0.40 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3f93 h PRO 181 Cb 1.15 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3f93 h PRO 181 CO 0.74 0.68 0.03 -0.44 -0.21 0.00 0.00 178.00 178.80 3f93 h ASP 182 N 0.91 0.43 -0.23 -2.05 3.32 -1.93 -0.16 116.42 116.71 3f93 h ASP 182 Ca 0.23 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3f93 h ASP 182 Cb 0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3f93 h ASP 182 CO -0.03 0.48 -0.09 0.25 -1.72 0.00 0.00 179.24 178.12 3f93 h LEU 183 N 0.46 0.48 -0.72 1.55 6.46 -1.96 -2.58 115.31 118.99 3f93 h LEU 183 Ca 0.10 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 3f93 h LEU 183 Cb 0.25 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 3f93 h LEU 183 CO 0.00 0.77 0.48 0.58 -0.62 0.00 0.00 178.44 179.65 3f93 h VAL 184 N 0.19 1.19 0.13 1.05 2.07 -1.11 -1.72 116.25 118.03 3f93 h VAL 184 Ca 0.05 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3f93 h VAL 184 Cb 0.58 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3f93 h VAL 184 CO 0.03 0.18 -0.06 0.50 0.02 0.00 0.00 177.57 178.24 3f93 h LYS 185 N 0.98 -0.16 -0.59 1.57 3.64 -1.13 0.60 116.57 121.47 3f93 h LYS 185 Ca 0.27 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3f93 h LYS 185 Cb -0.11 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.65 3f93 h LYS 185 CO -0.06 -0.07 -0.54 0.00 -2.27 0.00 0.00 179.45 176.50 3f93 h ARG 186 N -0.21 -0.26 -0.35 1.90 3.08 -1.31 -3.11 114.38 114.12 3f93 h ARG 186 Ca -0.02 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3f93 h ARG 186 Cb 0.16 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3f93 h ARG 186 CO 0.03 -0.17 -0.16 1.88 -1.07 0.00 0.00 179.97 180.47 3f93 h TYR 187 N -0.27 0.70 -0.53 3.04 -1.99 -0.98 -3.35 116.97 113.59 3f93 h TYR 187 Ca 0.12 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.64 3f93 h TYR 187 Cb 0.55 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 3f93 h TYR 187 CO -0.80 0.76 0.06 0.00 -0.00 0.00 0.00 178.16 178.18 3f93 h ALA 188 N 1.25 0.71 -0.40 3.88 0.00 -0.81 -2.06 119.26 121.82 3f93 h ALA 188 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3f93 h ALA 188 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3f93 h ALA 188 CO 0.04 0.47 0.06 0.78 0.00 0.00 0.00 179.25 180.61 3f93 h GLY 189 N 0.78 0.65 1.58 0.00 0.00 -1.69 -1.37 103.07 103.02 3f93 h GLY 189 Ca 0.16 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3f93 h GLY 189 CO 0.02 0.34 -0.35 0.83 0.00 0.00 0.00 176.54 177.38 3f93 h GLU 190 N 0.59 0.47 -0.13 4.80 4.39 -1.57 -1.93 114.58 121.20 3f93 h GLU 190 Ca 0.13 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 3f93 h GLU 190 Cb 0.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3f93 h GLU 190 CO 0.00 0.76 -0.45 1.98 -1.16 0.00 0.00 179.01 180.14 3f93 h MET 191 N 0.40 0.53 0.08 2.33 4.05 -0.71 0.19 114.93 121.80 3f93 h MET 191 Ca 0.04 -0.40 0.01 0.00 -0.28 0.00 0.00 59.70 59.07 3f93 h MET 191 Cb 0.81 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 3f93 h MET 191 CO 0.07 1.02 -0.12 0.28 0.23 0.00 0.00 176.91 178.39 3f93 h VAL 192 N 0.15 0.72 -0.10 -5.77 2.07 -1.26 0.16 116.25 112.22 3f93 h VAL 192 Ca -0.02 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 3f93 h VAL 192 Cb 1.08 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3f93 h VAL 192 CO 0.10 0.00 -0.57 0.71 0.02 0.00 0.00 177.57 177.82 3f93 h THR 193 N -0.25 1.36 -0.83 2.57 1.35 -1.39 0.19 112.91 115.92 3f93 h THR 193 Ca 0.02 -1.89 0.15 0.00 -0.55 0.00 0.00 66.41 64.14 3f93 h THR 193 Cb 0.26 1.91 -0.10 0.00 -1.73 0.00 0.00 68.15 68.49 3f93 h THR 193 CO -0.06 0.56 0.41 1.23 -0.25 0.00 0.00 175.52 177.41 3f93 h GLY 194 N 1.34 1.34 0.77 5.82 0.00 -0.18 0.50 103.07 112.66 3f93 h GLY 194 Ca -0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 47.33 46.75 3f93 h GLY 194 CO 0.09 -0.06 -1.83 -2.22 0.00 0.00 0.00 176.54 172.53 3f93 h ILE 195 N 0.57 0.82 0.00 2.60 2.04 -0.00 -2.84 117.51 120.70 3f93 h ILE 195 Ca 0.46 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.88 3f93 h ILE 195 Cb 0.67 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3f93 h ILE 195 CO -0.38 0.87 -1.41 0.00 0.00 0.00 0.00 178.15 177.23 3f93 n GLN 196 N -3.58 0.75 0.00 2.37 6.02 0.59 -0.97 117.38 122.56 3f93 n GLN 196 Ca -0.28 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 3f93 n GLN 196 Cb 1.05 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.90 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 1.43 -0.20 3.79 1.08 0.00 0.16 0.12 105.19 111.57 3f93 n GLY 197 Ca -0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.23 7.30 -0.06 1.61 1.01 -1.26 -4.52 116.67 118.52 3f93 s ASP 198 Ca 0.00 1.61 -0.33 0.00 0.71 0.00 0.00 52.55 54.53 3f93 s ASP 198 Cb 0.00 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 3f93 s ASP 198 CO 0.00 0.14 1.90 0.52 0.21 0.00 0.00 175.17 177.94 3f93 n VAL 199 N 1.27 0.62 0.00 -1.27 0.31 -1.26 -2.25 118.33 115.74 3f93 n VAL 199 Ca -0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3f93 n VAL 199 Cb 0.49 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 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 4.44 -0.42 0.00 2.92 0.00 -1.26 -4.96 105.19 105.92 3f93 n GLY 200 Ca 0.22 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3f93 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 n ALA 201 N 0.00 0.00 0.64 4.61 0.00 -1.26 -4.91 120.51 119.60 3f93 n ALA 201 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3f93 n ALA 201 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3f93 n ALA 201 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3f93 n ASP 202 N 0.00 1.42 -4.44 0.00 -0.08 -1.26 -4.93 116.55 107.27 3f93 n ASP 202 Ca 0.00 -1.21 -0.61 0.00 -1.51 0.00 0.00 54.79 51.46 3f93 n ASP 202 Cb 0.03 0.53 -0.11 0.00 2.34 0.00 0.00 41.12 43.91 3f93 n ASP 202 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3f93 n PHE 203 N -0.28 1.44 -2.72 -0.67 -0.00 -0.95 -2.12 117.46 112.15 3f93 n PHE 203 Ca 0.06 0.80 -0.18 0.00 -0.00 0.00 0.00 57.45 58.13 3f93 n PHE 203 Cb 0.29 -2.31 0.00 0.00 -0.00 0.00 0.00 39.48 37.46 3f93 n PHE 203 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3f93 n LEU 204 N 6.67 -1.61 -4.94 -2.13 4.77 0.33 -5.00 117.00 115.11 3f93 n LEU 204 Ca 0.45 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 3f93 n LEU 204 Cb -0.00 -2.40 -0.02 0.00 -2.33 0.00 0.00 43.42 38.66 3f93 n LEU 204 CO 0.87 -0.02 -0.05 -0.54 -1.33 0.00 0.00 177.39 176.31 3f93 s LYS 205 N -5.35 3.21 2.77 3.23 1.02 -0.90 -4.66 119.74 119.06 3f93 s LYS 205 Ca 0.13 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.21 3f93 s LYS 205 Cb -0.07 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3f93 s LYS 205 CO 0.16 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 3f93 n GLY 206 N -1.41 2.91 0.00 -3.33 0.00 -1.26 -1.06 105.19 101.05 3f93 n GLY 206 Ca -0.06 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3f93 n GLY 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f93 n SER 207 N 3.45 0.00 -4.76 1.61 3.41 -1.26 -4.80 113.62 111.27 3f93 n SER 207 Ca 0.00 0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 58.59 3f93 n SER 207 Cb 0.00 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 3f93 n SER 207 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3f93 s ASN 208 N -2.90 6.39 0.40 4.04 0.01 -0.22 -4.51 114.94 118.15 3f93 s ASN 208 Ca 0.11 2.95 0.08 0.00 -0.71 0.00 0.00 52.86 55.29 3f93 s ASN 208 Cb 0.12 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 3f93 s ASN 208 CO 0.32 -0.88 0.37 -0.13 -1.51 0.00 0.00 177.10 175.27 3f93 s ARG 209 N -0.93 2.58 -0.02 -0.60 1.81 -0.15 -4.65 118.95 116.99 3f93 s ARG 209 Ca 0.60 -1.48 -0.28 0.00 -1.72 0.00 0.00 55.73 52.85 3f93 s ARG 209 Cb -0.47 -2.41 -0.03 0.00 -0.45 0.00 0.00 34.95 31.59 3f93 s ARG 209 CO 0.52 -0.15 0.89 0.42 -0.68 0.00 0.00 175.30 176.30 3f93 s ILE 210 N -2.44 4.92 0.12 1.52 1.01 0.67 -3.93 121.20 123.07 3f93 s ILE 210 Ca 0.47 1.87 0.05 0.00 0.00 0.00 0.00 60.65 63.04 3f93 s ILE 210 Cb -0.04 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3f93 s ILE 210 CO 0.28 0.18 0.05 0.00 0.00 0.00 0.00 174.94 175.46 3f93 s ALA 211 N 0.98 3.41 -0.18 9.38 0.00 -1.26 -0.13 121.76 133.96 3f93 s ALA 211 Ca 0.47 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3f93 s ALA 211 Cb -0.20 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.69 3f93 s ALA 211 CO 0.25 0.62 -0.18 0.99 0.00 0.00 0.00 175.76 177.44 3f93 s THR 212 N -1.53 1.91 -0.35 0.00 2.01 -0.86 -1.54 115.64 115.30 3f93 s THR 212 Ca 0.28 -0.89 -0.27 0.00 0.31 0.00 0.00 61.69 61.13 3f93 s THR 212 Cb -0.11 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.65 3f93 s THR 212 CO 0.21 0.48 0.96 0.00 -0.69 0.00 0.00 174.62 175.57 3f93 s ALA 213 N 1.34 3.45 0.16 7.40 0.00 -0.33 -0.02 121.76 133.76 3f93 s ALA 213 Ca 0.04 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.78 3f93 s ALA 213 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3f93 s ALA 213 CO -0.12 -1.52 -0.22 -1.59 0.00 0.00 0.00 175.76 172.31 3f93 s LYS 214 N 3.48 1.37 0.19 0.00 -2.85 0.02 -2.01 119.74 119.94 3f93 s LYS 214 Ca 0.40 -1.42 0.08 0.00 -1.00 0.00 0.00 55.97 54.03 3f93 s LYS 214 Cb -0.12 -1.61 -0.04 0.00 -2.06 0.00 0.00 37.83 34.00 3f93 s LYS 214 CO 0.17 0.35 -0.03 -1.01 0.10 0.00 0.00 175.35 174.93 3f93 s HIS 215 N -1.66 2.76 -0.33 1.78 0.09 -1.26 0.43 115.29 117.09 3f93 s HIS 215 Ca 0.16 -0.18 -0.01 0.00 -0.00 0.00 0.00 55.06 55.04 3f93 s HIS 215 Cb -0.08 -1.32 0.07 0.00 -0.00 0.00 0.00 32.58 31.25 3f93 s HIS 215 CO 0.08 0.53 0.04 0.12 -0.00 0.00 0.00 174.74 175.51 3f93 s PHE 216 N -1.81 3.39 0.09 1.40 5.36 0.94 -4.35 117.98 123.00 3f93 s PHE 216 Ca 0.27 -2.15 -0.19 0.00 -0.96 0.00 0.00 56.93 53.89 3f93 s PHE 216 Cb -0.09 -2.44 0.05 0.00 -0.34 0.00 0.00 43.02 40.20 3f93 s PHE 216 CO 0.18 -0.86 0.47 0.54 -1.46 0.00 0.00 175.22 174.08 3f93 s VAL 217 N 1.18 0.04 0.00 3.12 0.11 -1.26 -1.19 120.40 122.40 3f93 s VAL 217 Ca -0.01 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 3f93 s VAL 217 Cb -0.20 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3f93 s VAL 217 CO -0.03 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 3f93 n GLY 218 N 0.08 0.56 0.28 6.54 0.00 -1.26 -4.87 105.19 106.52 3f93 n GLY 218 Ca -0.17 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.48 1.61 2.03 -1.94 -2.70 116.42 114.94 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 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3f93 h ASP 219 CO 0.00 0.09 0.00 0.61 -1.03 0.00 0.00 179.24 178.91 3f93 n GLY 220 N -0.61 2.30 0.39 7.15 0.00 -1.26 -4.18 105.19 108.97 3f93 n GLY 220 Ca -0.02 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.37 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 0.79 2.15 3.78 -0.02 0.00 -1.02 0.21 105.19 111.08 3f93 n GLY 221 Ca 0.20 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.07 3.24 0.19 2.61 -4.23 -1.26 -4.31 115.64 110.82 3f93 s THR 222 Ca 0.13 0.75 -0.31 0.00 -1.18 0.00 0.00 61.69 61.08 3f93 s THR 222 Cb 0.12 -3.29 -0.10 0.00 1.34 0.00 0.00 72.50 70.57 3f93 s THR 222 CO 0.00 -0.19 1.58 -1.61 -0.54 0.00 0.00 174.62 173.85 3f93 s GLU 223 N -3.39 4.20 -1.85 3.99 0.41 0.03 -1.52 118.70 120.58 3f93 s GLU 223 Ca 0.71 2.41 0.00 0.00 -0.41 0.00 0.00 54.97 57.68 3f93 s GLU 223 Cb -0.23 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.00 3f93 s GLU 223 CO 0.28 -0.60 0.00 0.54 -0.49 0.00 0.00 175.26 174.99 3f93 n ARG 224 N 3.60 -1.64 -3.98 1.61 1.74 -1.26 -2.47 116.66 114.26 3f93 n ARG 224 Ca 0.13 1.04 -0.32 0.00 -0.77 0.00 0.00 57.85 57.93 3f93 n ARG 224 Cb 0.38 -5.67 -0.02 0.00 -1.02 0.00 0.00 32.46 26.14 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 -0.93 -0.46 3.70 -0.13 0.00 -0.57 -4.72 105.19 102.07 3f93 n GLY 225 Ca -0.24 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.17 4.88 0.25 1.61 1.01 -1.03 -2.89 120.40 121.06 3f93 s VAL 226 Ca 0.65 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 64.18 3f93 s VAL 226 Cb -0.35 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 31.68 3f93 s VAL 226 CO 0.80 0.11 1.66 -0.67 0.00 0.00 0.00 175.10 177.00 3f93 n ASP 227 N 4.46 3.95 -1.98 3.32 2.03 -1.26 -1.00 116.55 126.08 3f93 n ASP 227 Ca 0.05 1.11 -0.17 0.00 0.52 0.00 0.00 54.79 56.30 3f93 n ASP 227 Cb 0.50 -1.59 -0.04 0.00 -0.72 0.00 0.00 41.12 39.27 3f93 n ASP 227 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3f93 n ARG 228 N 3.02 -1.67 0.00 -0.67 1.74 -1.26 -4.93 116.66 112.89 3f93 n ARG 228 Ca 0.12 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 3f93 n ARG 228 Cb 0.36 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 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 -0.63 0.37 3.28 -0.13 0.00 -0.17 -4.52 105.19 103.39 3f93 n GLY 229 Ca -0.19 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.00 3.77 -0.56 1.61 2.47 -1.26 -1.13 114.94 118.84 3f93 s ASN 230 Ca 0.00 -0.44 -0.18 0.00 0.42 0.00 0.00 52.86 52.65 3f93 s ASN 230 Cb 0.00 -1.59 0.10 0.00 -1.45 0.00 0.00 41.25 38.31 3f93 s ASN 230 CO 0.00 0.08 0.64 -0.89 -3.72 0.00 0.00 177.10 173.21 3f93 s THR 231 N 0.85 4.92 -0.71 -5.21 2.01 0.14 -0.79 115.64 116.84 3f93 s THR 231 Ca -0.04 -1.01 -0.24 0.00 0.31 0.00 0.00 61.69 60.71 3f93 s THR 231 Cb -0.15 -4.41 0.06 0.00 0.01 0.00 0.00 72.50 68.01 3f93 s THR 231 CO -0.00 -1.00 1.11 -0.76 -0.69 0.00 0.00 174.62 173.28 3f93 s LEU 232 N 2.42 3.92 0.05 4.42 1.43 -1.26 -1.93 118.68 127.73 3f93 s LEU 232 Ca 0.10 -0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 52.08 3f93 s LEU 232 Cb -0.24 -2.48 0.07 0.00 0.03 0.00 0.00 46.19 43.57 3f93 s LEU 232 CO 0.07 -1.58 0.67 -0.51 0.23 0.00 0.00 176.35 175.22 3f93 s ILE 233 N 4.67 0.00 0.89 -0.59 2.07 -1.26 -5.03 121.20 121.95 3f93 s ILE 233 Ca 0.28 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.39 3f93 s ILE 233 Cb -0.12 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.60 3f93 s ILE 233 CO 0.10 0.00 1.19 1.51 -1.91 0.00 0.00 174.94 175.84 3f93 s ASP 234 N -2.04 3.71 0.11 4.50 3.84 -1.26 -4.80 116.67 120.73 3f93 s ASP 234 Ca -0.04 0.72 -0.11 0.00 -0.00 0.00 0.00 52.55 53.12 3f93 s ASP 234 Cb -0.01 -1.13 -0.12 0.00 -1.38 0.00 0.00 42.92 40.28 3f93 s ASP 234 CO -0.03 -2.40 1.32 -0.08 -0.00 0.00 0.00 175.17 173.98 3f93 h GLU 235 N -1.40 0.74 -0.49 2.11 4.81 -2.02 -1.18 114.58 117.16 3f93 h GLU 235 Ca -0.47 -0.61 0.09 0.00 -0.13 0.00 0.00 59.36 58.24 3f93 h GLU 235 Cb 1.31 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 3f93 h GLU 235 CO 0.57 1.22 -0.33 0.87 -0.73 0.00 0.00 179.01 180.61 3f93 h LYS 236 N 0.50 -0.20 -0.37 1.92 1.57 -1.97 0.18 116.57 118.20 3f93 h LYS 236 Ca -0.05 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3f93 h LYS 236 Cb 1.40 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 3f93 h LYS 236 CO 0.16 -0.13 0.04 0.78 -0.57 0.00 0.00 179.45 179.72 3f93 h GLY 237 N -0.21 0.61 1.88 3.86 0.00 -1.91 0.30 103.07 107.61 3f93 h GLY 237 Ca 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 3f93 h GLY 237 CO -0.60 0.32 -0.19 -2.00 0.00 0.00 0.00 176.54 174.07 3f93 h LEU 238 N 0.55 0.14 0.12 3.11 5.85 -0.39 0.59 115.31 125.28 3f93 h LEU 238 Ca 0.12 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 3f93 h LEU 238 Cb 0.29 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.30 3f93 h LEU 238 CO 0.00 0.34 -0.84 -0.09 -0.34 0.00 0.00 178.44 177.52 3f93 h ARG 239 N 0.14 0.26 0.00 1.25 2.43 -0.36 -3.05 114.38 115.05 3f93 h ARG 239 Ca 0.03 -0.45 -0.13 0.00 -0.81 0.00 0.00 59.98 58.61 3f93 h ARG 239 Cb 0.42 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3f93 h ARG 239 CO 0.03 1.21 -0.82 -0.44 -1.51 0.00 0.00 179.97 178.45 3f93 h ASP 240 N -0.43 0.00 0.00 -3.80 3.32 -0.28 -3.27 116.42 111.97 3f93 h ASP 240 Ca -0.16 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.51 3f93 h ASP 240 Cb 1.60 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.09 3f93 h ASP 240 CO 0.12 0.57 -2.28 -0.38 -1.72 0.00 0.00 179.24 175.55 3f93 n ILE 241 N -3.14 1.26 1.01 0.35 5.41 0.19 -4.75 119.36 119.69 3f93 n ILE 241 Ca -0.02 -0.34 0.11 0.00 1.00 0.00 0.00 62.75 63.50 3f93 n ILE 241 Cb 0.78 -1.74 0.02 0.00 -0.71 0.00 0.00 39.64 37.99 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 -3.92 0.00 0.49 1.39 8.25 -1.19 -4.43 115.22 115.81 3f93 n HIS 242 Ca -0.44 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.07 3f93 n HIS 242 Cb 0.83 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.05 0.99 0.02 0.41 7.64 -1.16 -4.54 113.62 116.93 3f93 n SER 243 Ca 0.09 -1.00 0.09 0.00 1.01 0.00 0.00 58.87 59.07 3f93 n SER 243 Cb 0.46 0.66 0.53 0.00 -1.01 0.00 0.00 64.21 64.85 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 1.74 1.97 -0.84 -0.43 0.00 -1.78 0.14 119.26 120.06 3f93 h ALA 244 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3f93 h ALA 244 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3f93 h ALA 244 CO 0.00 -0.04 0.55 0.78 0.00 0.00 0.00 179.25 180.54 3f93 h GLY 245 N 0.33 1.19 1.90 0.00 0.00 -1.81 -2.92 103.07 101.76 3f93 h GLY 245 Ca 0.18 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 3f93 h GLY 245 CO -0.04 0.45 -0.65 -0.97 0.00 0.00 0.00 176.54 175.33 3f93 h TYR 246 N 1.15 0.14 -0.69 5.60 0.05 -1.06 0.21 116.97 122.37 3f93 h TYR 246 Ca 0.31 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 59.07 3f93 h TYR 246 Cb -0.12 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 3f93 h TYR 246 CO 0.00 0.72 0.41 0.74 -1.05 0.00 0.00 178.16 178.98 3f93 h PHE 247 N 0.07 0.76 0.12 4.88 0.04 -1.29 0.73 116.94 122.25 3f93 h PHE 247 Ca -0.01 0.02 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 3f93 h PHE 247 Cb 1.16 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.07 3f93 h PHE 247 CO 0.01 0.40 -1.24 0.66 -0.60 0.00 0.00 178.31 177.54 3f93 h SER 248 N 0.78 0.41 -0.09 2.17 4.64 -1.53 -2.82 113.55 117.11 3f93 h SER 248 Ca 0.29 -0.44 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3f93 h SER 248 Cb 0.10 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3f93 h SER 248 CO -0.14 1.35 0.03 0.00 -0.87 0.00 0.00 176.83 177.19 3f93 h ALA 249 N 0.59 0.12 -0.46 5.18 0.00 -0.21 -2.20 119.26 122.27 3f93 h ALA 249 Ca -0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3f93 h ALA 249 Cb 1.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 3f93 h ALA 249 CO 0.20 -0.27 -0.19 0.82 0.00 0.00 0.00 179.25 179.81 3f93 h ILE 250 N -0.05 1.27 -0.92 0.00 2.04 -1.00 -1.98 117.51 116.88 3f93 h ILE 250 Ca 0.03 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.61 3f93 h ILE 250 Cb 0.22 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3f93 h ILE 250 CO -0.00 0.46 0.58 -1.13 0.00 0.00 0.00 178.15 178.06 3f93 h ASN 251 N 0.77 0.92 0.00 1.72 -1.24 -1.46 0.35 115.58 116.65 3f93 h ASN 251 Ca 0.11 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3f93 h ASN 251 Cb 0.75 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.62 3f93 h ASN 251 CO 0.06 0.59 0.00 0.00 -1.29 0.00 0.00 177.43 176.79 3f93 n GLN 252 N -4.57 0.88 -2.51 6.67 1.13 -0.83 -4.24 117.38 113.89 3f93 n GLN 252 Ca 0.14 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.18 3f93 n GLN 252 Cb 0.18 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.03 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 0.77 0.85 3.75 1.08 0.00 0.12 -4.62 105.19 107.13 3f93 n GLY 253 Ca 0.21 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.50 1.16 0.08 1.61 3.14 -0.78 -4.87 118.33 116.17 3f93 n VAL 254 Ca -0.00 -0.29 -0.12 0.00 -2.96 0.00 0.00 64.34 60.97 3f93 n VAL 254 Cb 0.50 -1.97 -0.05 0.00 -1.06 0.00 0.00 33.84 31.27 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 4.54 0.30 -4.83 1.45 1.08 -1.91 -3.43 115.11 112.31 3f93 h GLN 255 Ca -0.47 -0.35 -0.30 0.00 -1.45 0.00 0.00 58.65 56.07 3f93 h GLN 255 Cb 1.23 0.11 -0.19 0.00 -0.05 0.00 0.00 27.48 28.57 3f93 h GLN 255 CO 0.77 1.06 -0.73 0.45 -0.95 0.00 0.00 178.83 179.43 3f93 s SER 256 N -7.03 1.22 -0.05 1.46 0.15 -0.59 -2.13 113.70 106.74 3f93 s SER 256 Ca -0.04 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 55.90 3f93 s SER 256 Cb 0.09 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3f93 s SER 256 CO 0.85 -0.24 -0.06 -0.69 1.20 0.00 0.00 173.24 174.30 3f93 s VAL 257 N -2.05 0.65 -0.20 4.45 1.01 -0.43 -1.19 120.40 122.64 3f93 s VAL 257 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3f93 s VAL 257 Cb -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3f93 s VAL 257 CO -0.00 0.25 0.21 -0.32 0.00 0.00 0.00 175.10 175.24 3f93 s MET 258 N 0.92 4.17 0.71 2.72 1.75 -0.85 -1.08 119.30 127.63 3f93 s MET 258 Ca -0.11 -0.10 -0.11 0.00 -1.25 0.00 0.00 55.69 54.12 3f93 s MET 258 Cb -0.14 -3.47 0.02 0.00 2.84 0.00 0.00 34.83 34.07 3f93 s MET 258 CO 0.00 0.18 1.07 0.00 -0.65 0.00 0.00 175.02 175.62 3f93 s ALA 259 N 0.70 2.55 0.08 4.11 0.00 -0.54 -0.04 121.76 128.62 3f93 s ALA 259 Ca 0.11 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.29 3f93 s ALA 259 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3f93 s ALA 259 CO 0.02 -1.35 0.07 -1.54 0.00 0.00 0.00 175.76 172.97 3f93 s SER 260 N -3.53 5.48 0.45 0.00 1.04 -0.34 -3.89 113.70 112.91 3f93 s SER 260 Ca 0.60 -0.03 0.12 0.00 0.48 0.00 0.00 55.95 57.12 3f93 s SER 260 Cb -0.15 -1.45 1.03 0.00 0.10 0.00 0.00 66.02 65.54 3f93 s SER 260 CO 0.53 0.17 2.07 -0.26 0.98 0.00 0.00 173.24 176.73 3f93 h PHE 261 N 3.32 0.21 -4.14 5.02 0.04 -1.95 -3.36 116.94 116.09 3f93 h PHE 261 Ca -0.47 -0.00 -0.50 0.00 2.80 0.00 0.00 57.97 59.80 3f93 h PHE 261 Cb 1.16 -0.07 0.16 0.00 2.20 0.00 0.00 35.95 39.40 3f93 h PHE 261 CO 0.61 0.19 0.25 0.54 -0.60 0.00 0.00 178.31 179.29 3f93 s ASN 262 N -6.91 3.53 0.13 2.17 2.20 -1.26 -4.73 114.94 110.07 3f93 s ASN 262 Ca -0.06 1.76 0.02 0.00 -0.94 0.00 0.00 52.86 53.65 3f93 s ASN 262 Cb 0.17 -2.39 -0.04 0.00 -2.00 0.00 0.00 41.25 36.99 3f93 s ASN 262 CO 0.70 -2.65 0.26 -0.44 -2.94 0.00 0.00 177.10 172.04 3f93 s SER 263 N -3.18 6.29 -0.22 3.54 0.01 -0.28 -2.18 113.70 117.69 3f93 s SER 263 Ca 0.64 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 58.06 3f93 s SER 263 Cb -0.19 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.17 3f93 s SER 263 CO 0.57 0.07 -0.12 0.86 0.41 0.00 0.00 173.24 175.04 3f93 s TRP 264 N -1.70 2.94 -1.41 2.43 -0.00 0.24 0.23 118.94 121.67 3f93 s TRP 264 Ca 0.34 -1.50 -0.10 0.00 -0.00 0.00 0.00 56.10 54.84 3f93 s TRP 264 Cb -0.11 -2.01 0.01 0.00 -0.00 0.00 0.00 33.47 31.36 3f93 s TRP 264 CO 0.28 -0.73 0.32 0.09 -0.00 0.00 0.00 176.95 176.91 3f93 n ASN 265 N 4.66 -1.00 0.00 5.86 3.02 -0.81 -1.14 115.26 125.84 3f93 n ASN 265 Ca -0.18 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 3f93 n ASN 265 Cb 0.49 -2.10 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -2.26 1.25 3.31 7.41 0.00 -1.26 -4.85 105.19 108.79 3f93 n GLY 266 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.28 3.33 0.22 1.61 2.20 -0.30 -5.03 119.74 121.49 3f93 s LYS 267 Ca 0.00 -0.68 -0.32 0.00 -0.36 0.00 0.00 55.97 54.61 3f93 s LYS 267 Cb 0.00 -2.77 -0.12 0.00 -1.51 0.00 0.00 37.83 33.43 3f93 s LYS 267 CO 0.00 -0.00 1.70 0.54 -0.36 0.00 0.00 175.35 177.22 3f93 n ARG 268 N 4.16 2.73 -0.35 4.03 5.12 -1.26 0.79 116.66 131.88 3f93 n ARG 268 Ca -0.19 0.98 -0.03 0.00 -1.93 0.00 0.00 57.85 56.68 3f93 n ARG 268 Cb 0.52 -2.82 0.09 0.00 -1.16 0.00 0.00 32.46 29.09 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 3.71 1.26 0.00 1.55 2.07 -1.64 -1.84 116.25 121.36 3f93 h VAL 269 Ca -0.44 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3f93 h VAL 269 Cb 1.21 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3f93 h VAL 269 CO 0.93 0.27 0.15 0.45 0.02 0.00 0.00 177.57 179.39 3f93 h HIS 270 N 1.28 0.00 -0.21 1.57 3.86 -1.82 0.44 115.15 120.27 3f93 h HIS 270 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3f93 h HIS 270 Cb -0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3f93 h HIS 270 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3f93 n GLY 271 N -1.18 2.64 3.42 2.45 0.00 -0.71 -4.26 105.19 107.54 3f93 n GLY 271 Ca -0.02 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.98 6.20 0.35 1.61 -1.08 0.14 -4.84 116.67 118.07 3f93 s ASP 272 Ca 0.14 -1.09 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 3f93 s ASP 272 Cb 0.08 -2.25 0.64 0.00 -1.46 0.00 0.00 42.92 39.93 3f93 s ASP 272 CO 0.10 -0.82 1.82 0.50 0.52 0.00 0.00 175.17 177.29 3f93 h LYS 273 N 8.93 0.22 -0.56 4.34 3.64 -1.86 -2.46 116.57 128.81 3f93 h LYS 273 Ca -0.28 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 3f93 h LYS 273 Cb 1.10 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3f93 h LYS 273 CO 0.95 0.47 0.24 1.25 -2.27 0.00 0.00 179.45 180.09 3f93 h HIS 274 N 0.20 0.84 -0.04 1.91 2.76 -1.91 -1.51 115.15 117.40 3f93 h HIS 274 Ca 0.03 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 3f93 h HIS 274 Cb 0.57 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.28 3f93 h HIS 274 CO 0.01 0.67 -0.20 -0.07 -1.30 0.00 0.00 177.93 177.03 3f93 h LEU 275 N 0.76 0.25 0.23 0.26 3.38 -1.87 0.96 115.31 119.28 3f93 h LEU 275 Ca 0.19 -0.66 -0.34 0.00 0.09 0.00 0.00 57.88 57.17 3f93 h LEU 275 Cb 0.17 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 40.88 3f93 h LEU 275 CO -0.02 0.87 -1.53 -0.07 0.09 0.00 0.00 178.44 177.78 3f93 h LEU 276 N -0.35 0.76 0.00 1.67 3.38 -1.46 -1.05 115.31 118.27 3f93 h LEU 276 Ca -0.01 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3f93 h LEU 276 Cb 0.86 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3f93 h LEU 276 CO 0.04 1.72 -0.40 0.41 0.09 0.00 0.00 178.44 180.30 3f93 n THR 277 N -3.71 0.89 -0.18 0.22 -1.04 -0.61 -2.72 114.28 107.14 3f93 n THR 277 Ca -0.19 0.31 -0.06 0.00 -2.04 0.00 0.00 64.05 62.06 3f93 n THR 277 Cb 1.08 -2.05 0.03 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.62 0.58 0.00 8.00 3.58 -1.09 -0.06 116.42 126.81 3f93 h ASP 278 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3f93 h ASP 278 Cb 0.40 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3f93 h ASP 278 CO 0.00 0.42 -0.10 0.58 -2.88 0.00 0.00 179.24 177.26 3f93 h VAL 279 N 0.69 0.00 0.91 2.25 2.07 -0.81 -0.80 116.25 120.56 3f93 h VAL 279 Ca 0.20 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3f93 h VAL 279 Cb -0.05 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3f93 h VAL 279 CO -0.06 0.00 -0.44 0.25 0.02 0.00 0.00 177.57 177.35 3f93 h LEU 280 N -0.62 -1.03 0.08 2.57 5.85 -1.30 0.33 115.31 121.20 3f93 h LEU 280 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3f93 h LEU 280 Cb 0.10 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3f93 h LEU 280 CO 0.00 -0.72 -0.04 0.11 -0.34 0.00 0.00 178.44 177.46 3f93 h LYS 281 N -1.26 -0.10 0.03 1.25 1.57 -1.28 -1.79 116.57 114.98 3f93 h LYS 281 Ca -0.12 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3f93 h LYS 281 Cb 0.94 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3f93 h LYS 281 CO 0.20 0.45 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.61 3f93 h ASN 282 N -0.80 -0.03 -0.07 0.86 2.35 -1.05 -2.49 115.58 114.35 3f93 h ASN 282 Ca -0.01 -0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 3f93 h ASN 282 Cb 0.60 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.99 3f93 h ASN 282 CO 0.02 0.49 -0.55 1.56 -1.65 0.00 0.00 177.43 177.30 3f93 h GLN 283 N -1.01 0.50 -0.03 0.81 4.20 -0.73 -3.12 115.11 115.73 3f93 h GLN 283 Ca -0.00 -0.44 -0.17 0.00 0.06 0.00 0.00 58.65 58.10 3f93 h GLN 283 Cb 0.07 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3f93 h GLN 283 CO 0.01 1.08 -0.72 -0.07 -0.67 0.00 0.00 178.83 178.45 3f93 h LEU 284 N 0.07 0.24 0.00 1.46 3.38 -0.41 -3.18 115.31 116.86 3f93 h LEU 284 Ca -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3f93 h LEU 284 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3f93 h LEU 284 CO 0.11 0.88 0.00 0.61 0.09 0.00 0.00 178.44 180.13 3f93 n GLY 285 N 0.53 0.83 3.67 0.83 0.00 -0.96 -1.42 105.19 108.68 3f93 n GLY 285 Ca -0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3f93 n GLY 285 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f93 s PHE 286 N -2.00 2.07 -2.04 1.61 5.36 -0.70 -4.67 117.98 117.61 3f93 s PHE 286 Ca 0.00 0.15 0.21 0.00 -0.96 0.00 0.00 56.93 56.33 3f93 s PHE 286 Cb 0.00 -3.99 0.02 0.00 -0.34 0.00 0.00 43.02 38.71 3f93 s PHE 286 CO 0.00 -4.14 1.06 -3.47 -1.46 0.00 0.00 175.22 167.21 3f93 n ASP 287 N 6.49 2.08 -2.04 6.13 2.03 -1.26 -4.46 116.55 125.52 3f93 n ASP 287 Ca 0.17 -1.54 0.00 0.00 0.52 0.00 0.00 54.79 53.94 3f93 n ASP 287 Cb 0.41 0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 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 1.34 0.72 3.48 0.27 0.00 -1.26 -4.78 105.19 104.95 3f93 n GLY 288 Ca 0.09 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 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 0.82 2.43 -0.26 1.61 -0.12 -0.91 -4.83 117.98 116.73 3f93 s PHE 289 Ca 0.00 -0.31 -0.08 0.00 -0.05 0.00 0.00 56.93 56.49 3f93 s PHE 289 Cb 0.00 -1.21 -0.03 0.00 -0.63 0.00 0.00 43.02 41.15 3f93 s PHE 289 CO 0.00 0.49 0.10 0.08 -0.05 0.00 0.00 175.22 175.84 3f93 s VAL 290 N -1.61 4.54 -0.13 -2.49 1.01 -1.26 -1.31 120.40 119.16 3f93 s VAL 290 Ca 0.22 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 3f93 s VAL 290 Cb -0.09 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3f93 s VAL 290 CO 0.11 0.31 0.18 0.54 0.00 0.00 0.00 175.10 176.24 3f93 s VAL 291 N 1.65 5.41 0.81 2.92 0.11 -0.25 0.44 120.40 131.50 3f93 s VAL 291 Ca 0.06 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.31 3f93 s VAL 291 Cb -0.15 -3.47 0.08 0.00 -1.53 0.00 0.00 36.38 31.30 3f93 s VAL 291 CO 0.05 0.56 1.09 -0.94 -3.33 0.00 0.00 175.10 172.53 3f93 s SER 292 N -0.60 4.28 0.68 3.54 1.04 -0.55 -1.46 113.70 120.63 3f93 s SER 292 Ca 0.15 1.52 -0.03 0.00 0.48 0.00 0.00 55.95 58.07 3f93 s SER 292 Cb -0.12 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.84 3f93 s SER 292 CO 0.04 -2.13 0.95 -0.62 0.98 0.00 0.00 173.24 172.46 3f93 s ASP 293 N -3.62 4.67 -0.89 7.02 -1.08 -1.25 -4.35 116.67 117.16 3f93 s ASP 293 Ca 0.61 -0.01 -0.22 0.00 -0.52 0.00 0.00 52.55 52.41 3f93 s ASP 293 Cb -0.16 -0.57 -0.23 0.00 -1.46 0.00 0.00 42.92 40.50 3f93 s ASP 293 CO 0.56 -1.63 2.42 1.87 0.52 0.00 0.00 175.17 178.91 3f93 n TRP 294 N -2.76 0.59 -1.47 -5.34 -0.00 -1.26 -1.13 117.44 106.07 3f93 n TRP 294 Ca 0.11 0.14 -0.16 0.00 -0.00 0.00 0.00 57.50 57.60 3f93 n TRP 294 Cb 0.60 -1.79 -0.07 0.00 -0.00 0.00 0.00 31.31 30.05 3f93 n TRP 294 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3f93 n ASN 295 N 10.84 -4.94 0.30 5.87 3.02 -0.83 -4.87 115.26 124.64 3f93 n ASN 295 Ca 0.59 0.40 0.16 0.00 -0.03 0.00 0.00 54.58 55.70 3f93 n ASN 295 Cb 0.21 -3.85 0.93 0.00 -0.61 0.00 0.00 39.78 36.46 3f93 n ASN 295 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f93 h ALA 296 N 0.00 1.35 0.00 5.41 0.00 -1.37 -1.87 119.26 122.78 3f93 h ALA 296 Ca -0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3f93 h ALA 296 Cb 1.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3f93 h ALA 296 CO 0.48 0.04 -0.13 1.12 0.00 0.00 0.00 179.25 180.76 3f93 h HIS 297 N 0.00 0.00 0.00 0.00 2.07 -1.90 -2.97 115.15 112.36 3f93 h HIS 297 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3f93 h HIS 297 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 3f93 h HIS 297 CO 0.00 0.13 0.00 0.36 -3.07 0.00 0.00 177.93 175.35 3f93 n LYS 298 N -3.37 0.18 0.01 5.12 2.85 -0.70 -2.58 118.16 119.66 3f93 n LYS 298 Ca -0.01 0.42 0.11 0.00 -1.05 0.00 0.00 58.31 57.78 3f93 n LYS 298 Cb 0.32 -1.85 -0.08 0.00 -0.65 0.00 0.00 35.03 32.78 3f93 n LYS 298 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3f93 n PHE 299 N -2.18 0.09 -2.58 5.58 3.72 -1.12 -4.31 117.46 116.66 3f93 n PHE 299 Ca 0.02 0.03 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3f93 n PHE 299 Cb 0.21 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 3f93 n PHE 299 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3f93 s VAL 300 N -3.20 3.71 -0.08 -4.37 0.11 -1.06 -4.67 120.40 110.83 3f93 s VAL 300 Ca 0.02 1.72 -0.07 0.00 -2.93 0.00 0.00 61.98 60.72 3f93 s VAL 300 Cb 0.15 -4.09 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 3f93 s VAL 300 CO 0.85 0.41 0.33 1.21 -3.33 0.00 0.00 175.10 174.57 3f93 n GLU 301 N 1.33 0.00 -1.13 1.54 2.13 -1.26 0.38 120.64 123.63 3f93 n GLU 301 Ca -0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.76 3f93 n GLU 301 Cb 0.46 -0.24 -0.02 0.00 0.27 0.00 0.00 31.44 31.91 3f93 n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f93 n GLY 302 N 1.15 0.68 3.52 8.31 0.00 -1.26 -4.88 105.19 112.71 3f93 n GLY 302 Ca 0.08 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 3f93 n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 s ASP 304 N -3.42 1.39 0.41 0.00 1.47 -0.42 -4.62 116.67 111.48 3f93 s ASP 304 Ca 0.29 -1.66 0.19 0.00 1.18 0.00 0.00 52.55 52.56 3f93 s ASP 304 Cb -0.06 0.64 1.13 0.00 -0.34 0.00 0.00 42.92 44.29 3f93 s ASP 304 CO 0.16 -1.23 1.78 -0.07 0.68 0.00 0.00 175.17 176.49 3f93 h LEU 305 N 2.08 0.42 -2.66 2.11 3.38 -1.88 -1.96 115.31 116.79 3f93 h LEU 305 Ca -0.26 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3f93 h LEU 305 Cb 1.23 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3f93 h LEU 305 CO 0.37 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.37 3f93 n GLU 306 N -4.59 2.68 -3.54 1.13 1.02 -1.26 -4.80 120.64 111.28 3f93 n GLU 306 Ca 0.25 -2.60 -0.00 0.00 -0.02 0.00 0.00 57.16 54.78 3f93 n GLU 306 Cb 0.88 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.07 0.31 -0.50 3.49 -0.44 -0.74 -3.44 119.66 117.27 3f93 s GLN 307 Ca 0.48 0.63 0.06 0.00 -2.50 0.00 0.00 55.36 54.03 3f93 s GLN 307 Cb 0.25 0.21 0.19 0.00 -1.64 0.00 0.00 33.01 32.03 3f93 s GLN 307 CO 0.33 -0.08 0.69 0.00 0.50 0.00 0.00 175.29 176.73 3f93 h ALA 309 N 4.94 0.92 -0.69 0.00 0.00 -1.95 -3.05 119.26 119.42 3f93 h ALA 309 Ca 0.07 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3f93 h ALA 309 Cb 1.06 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3f93 h ALA 309 CO 0.12 -0.04 0.35 0.37 0.00 0.00 0.00 179.25 180.05 3f93 h GLN 310 N 0.60 0.58 -0.15 0.00 5.75 -1.93 0.08 115.11 120.05 3f93 h GLN 310 Ca 0.32 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3f93 h GLN 310 Cb 0.31 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3f93 h GLN 310 CO -0.24 0.39 0.08 0.00 -2.65 0.00 0.00 178.83 176.41 3f93 h ALA 311 N 1.41 0.19 -0.54 3.38 0.00 -1.71 -0.66 119.26 121.33 3f93 h ALA 311 Ca 0.34 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3f93 h ALA 311 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3f93 h ALA 311 CO -0.26 -0.29 -0.03 0.82 0.00 0.00 0.00 179.25 179.50 3f93 h ILE 312 N 0.15 1.26 0.00 0.00 2.04 -1.43 -1.60 117.51 117.92 3f93 h ILE 312 Ca 0.05 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3f93 h ILE 312 Cb 0.06 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3f93 h ILE 312 CO -0.01 0.40 -0.05 0.78 0.00 0.00 0.00 178.15 179.27 3f93 h ASN 313 N 0.86 0.00 1.91 1.72 2.35 -0.82 -2.09 115.58 119.51 3f93 h ASN 313 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3f93 h ASN 313 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3f93 h ASN 313 CO 0.03 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3f93 h ALA 314 N 1.95 1.00 0.00 -0.83 0.00 -0.34 -3.47 119.26 117.57 3f93 h ALA 314 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f93 h ALA 314 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3f93 h ALA 314 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3f93 n GLY 315 N 1.01 0.56 3.75 0.00 0.00 -0.79 -3.08 105.19 106.65 3f93 n GLY 315 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.44 2.57 -0.15 1.61 1.01 -0.68 -4.53 120.40 118.79 3f93 s VAL 316 Ca 0.00 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3f93 s VAL 316 Cb 0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 3f93 s VAL 316 CO 0.00 0.09 -0.10 0.47 0.00 0.00 0.00 175.10 175.56 3f93 n ASP 317 N 1.90 2.53 -3.96 3.32 8.00 0.17 -4.45 116.55 124.06 3f93 n ASP 317 Ca 0.05 -0.06 -0.24 0.00 0.71 0.00 0.00 54.79 55.25 3f93 n ASP 317 Cb 0.40 0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.35 3f93 n ASP 317 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3f93 s VAL 318 N -2.32 0.95 -0.33 2.53 -7.23 -0.34 -4.60 120.40 109.06 3f93 s VAL 318 Ca -0.18 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.44 3f93 s VAL 318 Cb 0.05 -0.91 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 3f93 s VAL 318 CO 0.41 0.32 0.64 -0.63 -0.31 0.00 0.00 175.10 175.53 3f93 s ILE 319 N 0.93 4.91 -1.22 -0.62 -1.09 0.11 -1.48 121.20 122.73 3f93 s ILE 319 Ca -0.10 0.76 -0.19 0.00 -2.23 0.00 0.00 60.65 58.89 3f93 s ILE 319 Cb -0.15 -4.04 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 3f93 s ILE 319 CO 0.01 -0.22 1.64 -0.32 -1.23 0.00 0.00 174.94 174.81 3f93 s MET 320 N 2.68 3.89 -0.88 2.79 -2.45 -1.26 -0.78 119.30 123.29 3f93 s MET 320 Ca 0.25 -1.82 -0.07 0.00 -1.25 0.00 0.00 55.69 52.80 3f93 s MET 320 Cb -0.15 -5.45 0.22 0.00 1.25 0.00 0.00 34.83 30.70 3f93 s MET 320 CO 0.13 -2.21 0.79 0.08 1.05 0.00 0.00 175.02 174.86 3f93 s VAL 321 N 4.21 5.01 0.26 10.11 1.01 -0.89 -1.96 120.40 138.15 3f93 s VAL 321 Ca 0.51 -3.17 -0.02 0.00 0.00 0.00 0.00 61.98 59.30 3f93 s VAL 321 Cb 0.02 -4.10 0.23 0.00 0.00 0.00 0.00 36.38 32.54 3f93 s VAL 321 CO 0.03 -1.05 1.80 -0.65 0.00 0.00 0.00 175.10 175.23 3f93 h PRO 322 N 6.90 0.76 0.00 2.72 0.11 -1.90 -3.28 132.00 137.31 3f93 h PRO 322 Ca 0.11 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3f93 h PRO 322 Cb 0.92 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3f93 h PRO 322 CO 0.83 0.50 -1.34 -1.91 -0.21 0.00 0.00 178.00 175.87 3f93 n GLU 323 N -4.76 0.14 -0.44 1.05 2.13 -1.26 -2.00 120.64 115.51 3f93 n GLU 323 Ca 0.15 0.04 0.04 0.00 0.66 0.00 0.00 57.16 58.05 3f93 n GLU 323 Cb 0.33 -1.00 0.20 0.00 0.27 0.00 0.00 31.44 31.24 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 -2.85 1.01 -0.31 4.31 8.25 -1.26 -4.53 115.22 119.84 3f93 n HIS 324 Ca -0.11 -0.35 0.15 0.00 -0.26 0.00 0.00 57.72 57.15 3f93 n HIS 324 Cb 0.60 -0.29 0.39 0.00 1.12 0.00 0.00 29.99 31.81 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 1.98 0.87 -0.22 4.41 -0.00 -1.85 -1.06 116.94 121.08 3f93 h PHE 325 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.98 3f93 h PHE 325 Cb 1.21 -0.26 -0.01 0.00 -0.00 0.00 0.00 35.95 36.88 3f93 h PHE 325 CO 0.53 0.21 0.06 1.49 -0.00 0.00 0.00 178.31 180.60 3f93 h GLU 326 N 0.64 0.34 -0.11 6.09 4.81 -1.92 0.23 114.58 124.67 3f93 h GLU 326 Ca 0.53 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.49 3f93 h GLU 326 Cb 0.99 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 3f93 h GLU 326 CO -0.29 0.45 -0.72 0.00 -0.73 0.00 0.00 179.01 177.72 3f93 h ALA 327 N 0.88 0.54 -0.22 2.92 0.00 -1.84 -2.51 119.26 119.03 3f93 h ALA 327 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.41 3f93 h ALA 327 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3f93 h ALA 327 CO -0.00 0.74 0.06 0.35 0.00 0.00 0.00 179.25 180.39 3f93 h PHE 328 N 0.36 0.10 -0.18 0.00 3.57 -1.04 -0.26 116.94 119.49 3f93 h PHE 328 Ca -0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3f93 h PHE 328 Cb 1.30 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 3f93 h PHE 328 CO 0.05 0.04 -0.13 -0.92 -2.23 0.00 0.00 178.31 175.13 3f93 h TYR 329 N 0.15 -0.31 -0.47 0.41 3.20 -0.47 -1.05 116.97 118.43 3f93 h TYR 329 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3f93 h TYR 329 Cb 0.08 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3f93 h TYR 329 CO -0.13 -0.19 0.18 0.45 -1.64 0.00 0.00 178.16 176.83 3f93 h HIS 330 N -0.13 0.73 -0.87 -3.82 3.86 -1.03 -1.92 115.15 111.97 3f93 h HIS 330 Ca 0.11 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3f93 h HIS 330 Cb 0.29 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3f93 h HIS 330 CO -0.27 0.62 0.48 -0.91 0.86 0.00 0.00 177.93 178.71 3f93 h ASN 331 N 0.62 1.09 -0.61 2.45 -0.26 -0.79 -1.64 115.58 116.44 3f93 h ASN 331 Ca 0.16 -0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 3f93 h ASN 331 Cb 0.21 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 3f93 h ASN 331 CO -0.01 0.87 0.06 0.74 -1.06 0.00 0.00 177.43 178.04 3f93 h THR 332 N 1.22 1.26 -0.38 2.81 2.02 -1.00 0.30 112.91 119.14 3f93 h THR 332 Ca 0.31 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3f93 h THR 332 Cb 0.03 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3f93 h THR 332 CO -0.05 0.39 0.22 0.58 0.37 0.00 0.00 175.52 177.03 3f93 h VAL 333 N 0.95 1.04 -0.60 3.16 2.07 -0.79 -0.08 116.25 122.00 3f93 h VAL 333 Ca 0.18 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3f93 h VAL 333 Cb 0.48 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3f93 h VAL 333 CO 0.02 0.08 0.04 0.11 0.02 0.00 0.00 177.57 177.84 3f93 h LYS 334 N 0.45 1.03 -0.23 1.57 6.56 -0.87 -2.16 116.57 122.92 3f93 h LYS 334 Ca 0.15 -0.31 -0.03 0.00 -1.06 0.00 0.00 60.65 59.40 3f93 h LYS 334 Cb 0.01 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 3f93 h LYS 334 CO -0.07 0.99 0.00 1.96 -2.06 0.00 0.00 179.45 180.27 3f93 h GLN 335 N 0.93 0.33 -0.04 3.15 4.20 -0.01 0.13 115.11 123.79 3f93 h GLN 335 Ca 0.17 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3f93 h GLN 335 Cb 0.50 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3f93 h GLN 335 CO 0.02 0.36 0.01 0.28 -0.67 0.00 0.00 178.83 178.83 3f93 h VAL 336 N 0.32 1.21 0.00 -0.54 2.07 -0.70 0.16 116.25 118.78 3f93 h VAL 336 Ca 0.08 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3f93 h VAL 336 Cb 0.22 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3f93 h VAL 336 CO 0.00 0.17 -0.25 0.11 0.02 0.00 0.00 177.57 177.63 3f93 h LYS 337 N -0.18 0.00 0.00 1.57 1.57 -0.99 -1.29 116.57 117.26 3f93 h LYS 337 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3f93 h LYS 337 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3f93 h LYS 337 CO 0.00 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 3f93 n ALA 338 N -2.20 2.17 -0.94 3.86 0.00 0.41 -4.93 120.51 118.88 3f93 n ALA 338 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3f93 n ALA 338 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3f93 n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f93 n GLY 339 N 1.10 0.70 0.24 0.00 0.00 -0.49 -4.91 105.19 101.83 3f93 n GLY 339 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3f93 n GLY 339 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3f93 h VAL 340 N 0.00 0.18 -3.26 1.61 -1.51 -0.98 -3.38 116.25 108.91 3f93 h VAL 340 Ca 0.00 -0.94 -0.67 0.00 -1.23 0.00 0.00 66.70 63.87 3f93 h VAL 340 Cb 0.00 1.80 -0.31 0.00 -2.13 0.00 0.00 31.29 30.65 3f93 h VAL 340 CO 0.00 0.08 -0.82 -0.63 -1.23 0.00 0.00 177.57 174.97 3f93 s ILE 341 N -3.45 2.50 0.33 7.19 1.01 -0.34 -4.96 121.20 123.47 3f93 s ILE 341 Ca 0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3f93 s ILE 341 Cb 0.08 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.40 3f93 s ILE 341 CO 0.62 0.52 1.36 0.00 0.00 0.00 0.00 174.94 177.44 3f93 s ALA 342 N 0.80 3.53 0.28 9.38 0.00 -1.26 -4.32 121.76 130.17 3f93 s ALA 342 Ca -0.06 1.33 0.23 0.00 0.00 0.00 0.00 51.96 53.46 3f93 s ALA 342 Cb -0.15 -3.51 1.08 0.00 0.00 0.00 0.00 23.12 20.53 3f93 s ALA 342 CO -0.00 -0.73 1.91 1.49 0.00 0.00 0.00 175.76 178.42 3f93 h GLU 343 N 3.56 0.00 0.00 0.00 4.81 -1.94 -2.23 114.58 118.78 3f93 h GLU 343 Ca -0.49 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 3f93 h GLU 343 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3f93 h GLU 343 CO 0.67 0.22 -0.20 0.66 -0.73 0.00 0.00 179.01 179.63 3f93 h SER 344 N 0.00 0.00 0.16 1.04 4.64 -1.99 -0.89 113.55 116.50 3f93 h SER 344 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3f93 h SER 344 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3f93 h SER 344 CO 0.03 0.20 -0.92 -0.09 -0.87 0.00 0.00 176.83 175.18 3f93 h ARG 345 N 0.00 0.55 -0.66 4.77 9.65 -1.79 -1.71 114.38 125.19 3f93 h ARG 345 Ca -0.00 -0.55 -0.08 0.00 -1.10 0.00 0.00 59.98 58.24 3f93 h ARG 345 Cb 0.84 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.54 3f93 h ARG 345 CO 0.03 1.17 0.09 0.82 2.80 0.00 0.00 179.97 184.87 3f93 h ILE 346 N 0.33 1.27 -0.39 1.20 5.03 -1.16 -2.38 117.51 121.40 3f93 h ILE 346 Ca -0.08 -1.07 -0.05 0.00 -0.12 0.00 0.00 64.86 63.53 3f93 h ILE 346 Cb 1.55 0.66 -0.01 0.00 -3.03 0.00 0.00 36.82 35.99 3f93 h ILE 346 CO 0.17 0.40 0.04 0.78 -0.68 0.00 0.00 178.15 178.86 3f93 h ASN 347 N 1.03 0.65 -0.23 1.72 2.35 -1.14 -2.48 115.58 117.49 3f93 h ASN 347 Ca 0.20 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 3f93 h ASN 347 Cb 0.47 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3f93 h ASN 347 CO 0.02 0.76 0.04 -0.78 -1.65 0.00 0.00 177.43 175.82 3f93 h ASP 348 N 0.51 0.43 -0.08 5.81 3.58 -1.22 0.30 116.42 125.75 3f93 h ASP 348 Ca 0.12 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 3f93 h ASP 348 Cb 0.41 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3f93 h ASP 348 CO 0.01 0.47 -0.33 0.00 -2.88 0.00 0.00 179.24 176.51 3f93 h ALA 349 N 1.60 0.15 -0.62 -0.78 0.00 -1.30 -2.24 119.26 116.06 3f93 h ALA 349 Ca 0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3f93 h ALA 349 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3f93 h ALA 349 CO 0.00 0.21 0.15 0.28 0.00 0.00 0.00 179.25 179.89 3f93 h VAL 350 N -0.10 1.24 -0.16 0.00 2.07 -1.19 -1.60 116.25 116.50 3f93 h VAL 350 Ca -0.02 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3f93 h VAL 350 Cb 0.97 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3f93 h VAL 350 CO 0.07 0.34 -0.11 0.03 0.02 0.00 0.00 177.57 177.91 3f93 h ARG 351 N 0.93 -0.11 -0.35 1.57 3.08 -0.39 0.21 114.38 119.32 3f93 h ARG 351 Ca 0.20 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 3f93 h ARG 351 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3f93 h ARG 351 CO -0.00 -0.07 -0.22 0.00 -1.07 0.00 0.00 179.97 178.61 3f93 h ARG 352 N -0.11 0.68 0.20 0.04 3.08 -1.14 0.36 114.38 117.49 3f93 h ARG 352 Ca 0.10 -0.26 -0.32 0.00 0.07 0.00 0.00 59.98 59.57 3f93 h ARG 352 Cb 0.26 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.29 3f93 h ARG 352 CO -0.23 0.84 -1.45 0.35 -1.07 0.00 0.00 179.97 178.41 3f93 h PHE 353 N 0.60 0.76 -0.26 3.04 3.57 -1.27 -3.12 116.94 120.26 3f93 h PHE 353 Ca 0.09 -0.56 -0.11 0.00 3.53 0.00 0.00 57.97 60.92 3f93 h PHE 353 Cb 0.69 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3f93 h PHE 353 CO 0.03 1.47 -0.31 -0.07 -2.23 0.00 0.00 178.31 177.21 3f93 h LEU 354 N 0.11 0.55 -0.59 0.59 3.38 -0.80 -1.11 115.31 117.45 3f93 h LEU 354 Ca -0.23 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.65 3f93 h LEU 354 Cb 2.09 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 42.59 3f93 h LEU 354 CO 0.23 0.83 -0.05 -0.09 0.09 0.00 0.00 178.44 179.45 3f93 h ARG 355 N 0.46 0.07 -0.01 1.13 2.43 -0.31 0.58 114.38 118.74 3f93 h ARG 355 Ca 0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3f93 h ARG 355 Cb 0.76 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3f93 h ARG 355 CO 0.06 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.57 3f93 h ALA 356 N 1.55 0.01 -0.03 2.80 0.00 -1.39 -2.79 119.26 119.41 3f93 h ALA 356 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3f93 h ALA 356 Cb 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3f93 h ALA 356 CO -0.54 -0.37 -0.01 0.87 0.00 0.00 0.00 179.25 179.20 3f93 h LYS 357 N -0.24 0.07 -0.81 0.00 1.57 -0.32 -2.47 116.57 114.36 3f93 h LYS 357 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3f93 h LYS 357 Cb 0.25 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3f93 h LYS 357 CO 0.00 0.44 0.38 0.82 -0.57 0.00 0.00 179.45 180.52 3f93 h ILE 358 N -0.31 1.26 -0.29 1.86 2.04 0.01 -2.50 117.51 119.58 3f93 h ILE 358 Ca 0.01 -0.73 -0.15 0.00 1.00 0.00 0.00 64.86 64.99 3f93 h ILE 358 Cb 0.42 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3f93 h ILE 358 CO 0.00 0.31 -0.42 -0.09 0.00 0.00 0.00 178.15 177.95 3f93 h ARG 359 N 1.15 0.70 -0.23 2.37 2.43 -1.50 -2.40 114.38 116.91 3f93 h ARG 359 Ca 0.28 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 3f93 h ARG 359 Cb 0.14 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3f93 h ARG 359 CO -0.03 0.99 -0.03 2.35 -1.51 0.00 0.00 179.97 181.74 3f93 h TRP 360 N 0.57 0.35 0.00 2.20 7.01 -1.30 -3.47 115.95 121.31 3f93 h TRP 360 Ca 0.04 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3f93 h TRP 360 Cb 0.97 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 3f93 h TRP 360 CO 0.05 0.38 0.00 0.41 -2.79 0.00 0.00 178.44 176.49 3f93 n GLY 361 N -1.01 1.91 0.27 2.65 0.00 -0.90 -4.83 105.19 103.28 3f93 n GLY 361 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3f93 n GLY 361 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3f93 h VAL 362 N 0.00 1.00 0.00 1.61 3.04 -1.68 0.70 116.25 120.91 3f93 h VAL 362 Ca 0.00 -0.03 -0.14 0.00 -1.01 0.00 0.00 66.70 65.53 3f93 h VAL 362 Cb 0.00 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 3f93 h VAL 362 CO 0.00 0.01 -1.06 -0.26 -1.01 0.00 0.00 177.57 175.26 3f93 h PHE 363 N 0.08 0.00 0.06 3.17 0.04 -1.85 -3.39 116.94 115.05 3f93 h PHE 363 Ca 0.04 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.43 3f93 h PHE 363 Cb 0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 3f93 h PHE 363 CO -0.00 0.53 -2.19 0.25 -0.60 0.00 0.00 178.31 176.29 3f93 n THR 364 N -3.01 1.63 -0.97 -1.55 -2.24 -0.50 -4.95 114.28 102.70 3f93 n THR 364 Ca -0.05 -0.56 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 3f93 n THR 364 Cb 0.79 -1.63 0.13 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.53 1.56 0.01 -0.78 1.02 0.23 -5.03 119.74 114.23 3f93 s LYS 365 Ca -0.29 1.43 -0.00 0.00 0.02 0.00 0.00 55.97 57.13 3f93 s LYS 365 Cb 0.08 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 3f93 s LYS 365 CO 0.67 -2.21 0.02 -1.13 -0.92 0.00 0.00 175.35 171.78 3f93 n SER 366 N -3.84 0.02 -4.62 2.83 3.41 -1.26 -4.90 113.62 105.25 3f93 n SER 366 Ca 0.11 -1.02 -0.38 0.00 -0.26 0.00 0.00 58.87 57.32 3f93 n SER 366 Cb 0.52 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.03 1.01 -0.30 4.33 2.85 -1.26 -4.67 118.16 119.09 3f93 n LYS 367 Ca 0.00 0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.77 3f93 n LYS 367 Cb 0.01 -2.18 0.28 0.00 -0.65 0.00 0.00 35.03 32.48 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 0.68 0.18 0.00 -1.58 0.11 -1.91 0.12 132.00 129.60 3f93 h PRO 368 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3f93 h PRO 368 Cb 1.36 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3f93 h PRO 368 CO 0.52 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3f93 n SER 369 N -5.25 0.15 -0.73 -2.05 3.41 -1.26 -1.92 113.62 105.96 3f93 n SER 369 Ca 0.21 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 3f93 n SER 369 Cb 0.67 -0.56 0.11 0.00 -0.26 0.00 0.00 64.21 64.17 3f93 n SER 369 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f93 n ALA 370 N -1.56 2.41 -2.00 7.33 0.00 0.40 -4.76 120.51 122.33 3f93 n ALA 370 Ca 0.04 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 3f93 n ALA 370 Cb 0.25 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.25 4.62 0.32 0.00 0.52 -0.81 -4.80 118.95 117.56 3f93 s ARG 371 Ca 0.23 1.71 0.04 0.00 -0.52 0.00 0.00 55.73 57.19 3f93 s ARG 371 Cb 0.15 -3.27 0.65 0.00 0.52 0.00 0.00 34.95 33.00 3f93 s ARG 371 CO 0.21 0.13 1.90 -1.00 0.02 0.00 0.00 175.30 176.55 3f93 h PRO 372 N 4.86 0.86 0.00 3.54 0.13 -1.91 0.23 132.00 139.71 3f93 h PRO 372 Ca -0.45 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3f93 h PRO 372 Cb 1.21 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3f93 h PRO 372 CO 0.71 0.57 -0.01 1.05 -0.23 0.00 0.00 178.00 180.09 3f93 h GLU 373 N 0.88 0.00 -0.07 0.86 9.09 -1.92 -1.76 114.58 121.66 3f93 h GLU 373 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 3f93 h GLU 373 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3f93 h GLU 373 CO -0.17 0.01 0.00 0.43 0.05 0.00 0.00 179.01 179.32 3f93 n SER 374 N -3.16 0.95 -1.64 3.06 7.64 0.82 -4.10 113.62 117.19 3f93 n SER 374 Ca -0.02 -1.49 -0.11 0.00 1.01 0.00 0.00 58.87 58.26 3f93 n SER 374 Cb 0.14 -0.04 0.21 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.19 2.28 -3.90 1.43 1.13 -0.66 -4.69 117.38 112.77 3f93 n GLN 375 Ca 0.17 -3.09 -0.28 0.00 -1.94 0.00 0.00 57.00 51.86 3f93 n GLN 375 Cb 0.23 -2.00 -0.12 0.00 0.11 0.00 0.00 30.24 28.46 3f93 n GLN 375 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3f93 s HIS 376 N -3.21 3.54 0.58 1.08 3.76 -1.26 -4.95 115.29 114.83 3f93 s HIS 376 Ca 0.50 -3.32 0.28 0.00 -0.15 0.00 0.00 55.06 52.38 3f93 s HIS 376 Cb 0.43 -2.73 1.50 0.00 1.11 0.00 0.00 32.58 32.89 3f93 s HIS 376 CO 0.06 -0.57 1.94 -1.00 -0.85 0.00 0.00 174.74 174.32 3f93 h PRO 377 N 5.54 0.00 -0.02 8.40 0.13 -1.95 -0.58 132.00 143.52 3f93 h PRO 377 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3f93 h PRO 377 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3f93 h PRO 377 CO 0.72 0.00 -0.03 1.04 -0.23 0.00 0.00 178.00 179.50 3f93 n GLN 378 N -3.83 1.68 -0.16 0.86 6.02 -1.26 -4.14 117.38 116.54 3f93 n GLN 378 Ca 0.08 -1.06 -0.10 0.00 -0.01 0.00 0.00 57.00 55.91 3f93 n GLN 378 Cb 0.61 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 3f93 n GLN 378 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3f93 h TRP 379 N 2.58 0.83 -2.53 1.08 4.06 -1.47 -3.24 115.95 117.27 3f93 h TRP 379 Ca 0.00 -0.12 -0.53 0.00 2.06 0.00 0.00 58.89 60.29 3f93 h TRP 379 Cb 0.57 -0.23 0.02 0.00 -1.00 0.00 0.00 29.16 28.52 3f93 h TRP 379 CO 0.00 0.79 1.12 -1.17 -3.56 0.00 0.00 178.44 175.62 3f93 s LEU 380 N -9.50 4.39 -1.48 -4.49 0.20 -1.26 -1.99 118.68 104.55 3f93 s LEU 380 Ca -0.13 2.53 -0.11 0.00 0.69 0.00 0.00 54.13 57.11 3f93 s LEU 380 Cb 0.11 -3.54 0.07 0.00 -0.43 0.00 0.00 46.19 42.40 3f93 s LEU 380 CO 0.80 -0.98 0.82 0.61 -0.29 0.00 0.00 176.35 177.32 3f93 n GLY 381 N 4.26 -0.50 3.78 7.98 0.00 -1.22 -4.92 105.19 114.57 3f93 n GLY 381 Ca 0.18 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 3f93 n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f93 s ALA 382 N -3.19 3.58 0.30 4.61 0.00 -0.84 -4.84 121.76 121.37 3f93 s ALA 382 Ca 0.55 1.58 0.06 0.00 0.00 0.00 0.00 51.96 54.15 3f93 s ALA 382 Cb -0.28 -3.61 0.76 0.00 0.00 0.00 0.00 23.12 19.99 3f93 s ALA 382 CO 0.68 -1.06 1.74 0.00 0.00 0.00 0.00 175.76 177.12 3f93 h ALA 383 N 3.06 1.60 -0.21 0.00 0.00 -1.92 0.15 119.26 121.94 3f93 h ALA 383 Ca -0.51 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3f93 h ALA 383 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3f93 h ALA 383 CO 0.65 -0.20 -0.15 0.93 0.00 0.00 0.00 179.25 180.48 3f93 h GLU 384 N 0.60 0.35 0.00 0.00 3.07 -1.95 0.87 114.58 117.52 3f93 h GLU 384 Ca 0.58 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 59.22 3f93 h GLU 384 Cb 1.02 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 3f93 h GLU 384 CO -0.45 0.50 -0.61 0.45 -1.40 0.00 0.00 179.01 177.51 3f93 h HIS 385 N 0.33 0.00 -0.34 4.33 3.86 -1.15 -1.63 115.15 120.55 3f93 h HIS 385 Ca 0.06 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 3f93 h HIS 385 Cb 0.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3f93 h HIS 385 CO 0.01 0.61 -0.47 0.00 0.86 0.00 0.00 177.93 178.94 3f93 h ARG 386 N 0.00 0.91 -0.72 2.45 3.08 -0.10 0.37 114.38 120.37 3f93 h ARG 386 Ca -0.01 -0.53 0.03 0.00 0.07 0.00 0.00 59.98 59.54 3f93 h ARG 386 Cb 1.18 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 3f93 h ARG 386 CO 0.08 1.18 0.47 1.15 -1.07 0.00 0.00 179.97 181.78 3f93 h THR 387 N 0.72 1.13 -0.11 2.04 2.02 -0.79 0.15 112.91 118.06 3f93 h THR 387 Ca 0.04 -0.31 -0.22 0.00 0.77 0.00 0.00 66.41 66.69 3f93 h THR 387 Cb 1.07 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3f93 h THR 387 CO 0.11 0.16 -0.81 0.25 0.37 0.00 0.00 175.52 175.61 3f93 h LEU 388 N 0.90 0.83 -0.43 2.58 5.85 -1.01 -2.26 115.31 121.77 3f93 h LEU 388 Ca 0.28 -0.56 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 3f93 h LEU 388 Cb 0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3f93 h LEU 388 CO -0.07 1.35 -0.12 0.00 -0.34 0.00 0.00 178.44 179.26 3f93 h ALA 389 N 0.63 0.60 -0.92 1.25 0.00 -0.64 -2.17 119.26 118.01 3f93 h ALA 389 Ca -0.06 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.58 3f93 h ALA 389 Cb 1.43 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3f93 h ALA 389 CO 0.16 0.49 0.58 -0.09 0.00 0.00 0.00 179.25 180.39 3f93 h ARG 390 N 0.67 1.02 -0.28 0.00 2.43 -0.96 0.23 114.38 117.49 3f93 h ARG 390 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3f93 h ARG 390 Cb 0.66 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3f93 h ARG 390 CO 0.05 0.68 0.17 1.49 -1.51 0.00 0.00 179.97 180.84 3f93 h GLU 391 N 1.05 0.38 -0.17 0.20 4.81 -1.27 -2.07 114.58 117.51 3f93 h GLU 391 Ca 0.40 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 3f93 h GLU 391 Cb 0.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3f93 h GLU 391 CO -0.18 0.30 -0.07 0.00 -0.73 0.00 0.00 179.01 178.34 3f93 h ALA 392 N 1.06 1.57 0.11 2.92 0.00 -0.54 -1.94 119.26 122.43 3f93 h ALA 392 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3f93 h ALA 392 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3f93 h ALA 392 CO -0.02 0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.77 3f93 h VAL 393 N 0.25 1.05 -0.97 0.00 2.07 -0.42 -1.65 116.25 116.57 3f93 h VAL 393 Ca 0.05 -0.62 0.15 0.00 0.82 0.00 0.00 66.70 67.10 3f93 h VAL 393 Cb 0.29 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.41 3f93 h VAL 393 CO 0.01 0.15 0.59 0.03 0.02 0.00 0.00 177.57 178.37 3f93 h ARG 394 N -0.43 0.82 0.00 1.57 3.08 -0.90 -0.03 114.38 118.50 3f93 h ARG 394 Ca -0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3f93 h ARG 394 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3f93 h ARG 394 CO 0.02 0.55 -0.24 0.87 -1.07 0.00 0.00 179.97 180.10 3f93 h LYS 395 N 0.85 0.00 0.00 0.04 1.57 -1.33 -3.31 116.57 114.40 3f93 h LYS 395 Ca 0.52 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.22 3f93 h LYS 395 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3f93 h LYS 395 CO -0.32 0.16 -0.37 0.66 -0.57 0.00 0.00 179.45 179.01 3f93 h SER 396 N 0.00 0.00 -3.38 0.86 4.64 0.00 -2.60 113.55 113.08 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 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3f93 h SER 396 CO 0.02 0.37 0.50 -0.76 -0.87 0.00 0.00 176.83 176.08 3f93 s LEU 397 N -6.56 4.42 -0.19 5.97 1.43 -1.13 -4.62 118.68 117.99 3f93 s LEU 397 Ca 0.03 1.99 -0.04 0.00 -1.03 0.00 0.00 54.13 55.08 3f93 s LEU 397 Cb 0.08 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3f93 s LEU 397 CO 0.70 -0.33 -0.02 -0.69 0.23 0.00 0.00 176.35 176.24 3f93 s VAL 398 N 0.53 3.81 -0.47 -1.59 1.01 -0.92 -3.15 120.40 119.62 3f93 s VAL 398 Ca 0.54 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 3f93 s VAL 398 Cb -0.28 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3f93 s VAL 398 CO 0.31 0.45 0.84 -0.22 0.00 0.00 0.00 175.10 176.48 3f93 s LEU 399 N 0.87 4.18 -0.08 3.92 2.96 -1.26 -1.36 118.68 127.92 3f93 s LEU 399 Ca 0.00 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 3f93 s LEU 399 Cb -0.14 -3.00 -0.29 0.00 0.50 0.00 0.00 46.19 43.25 3f93 s LEU 399 CO 0.02 -0.99 0.59 -0.07 -1.32 0.00 0.00 176.35 174.58 3f93 h LEU 400 N 10.35 0.52 -7.62 -0.68 3.38 -1.51 0.54 115.31 120.29 3f93 h LEU 400 Ca -0.25 -0.91 -0.26 0.00 0.09 0.00 0.00 57.88 56.55 3f93 h LEU 400 Cb 1.08 -0.17 -0.31 0.00 0.09 0.00 0.00 40.66 41.36 3f93 h LEU 400 CO 0.99 1.75 -0.71 -0.75 0.09 0.00 0.00 178.44 179.82 3f93 s LYS 401 N -2.54 -0.00 -0.42 1.13 2.20 -0.99 -4.78 119.74 114.34 3f93 s LYS 401 Ca -0.18 0.11 0.09 0.00 -0.36 0.00 0.00 55.97 55.63 3f93 s LYS 401 Cb 0.05 -0.11 0.31 0.00 -1.51 0.00 0.00 37.83 36.58 3f93 s LYS 401 CO 0.82 -0.08 0.85 -1.71 -0.36 0.00 0.00 175.35 174.87 3f93 n ASN 402 N 3.60 -0.80 -4.73 1.43 5.15 -1.25 -0.57 115.26 118.09 3f93 n ASN 402 Ca -0.19 -3.24 -0.42 0.00 -0.60 0.00 0.00 54.58 50.13 3f93 n ASN 402 Cb 0.55 0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 40.33 3f93 n ASN 402 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3f93 s ASN 403 N -1.77 6.56 -1.79 1.20 -0.87 0.17 -2.54 114.94 115.90 3f93 s ASN 403 Ca 0.32 2.71 0.00 0.00 -1.57 0.00 0.00 52.86 54.32 3f93 s ASN 403 Cb 0.29 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 3f93 s ASN 403 CO -0.09 -0.81 0.00 -0.62 -2.57 0.00 0.00 177.10 173.00 3f93 n GLU 404 N 3.17 -1.63 -3.98 -0.60 -0.58 -1.26 -3.01 120.64 112.75 3f93 n GLU 404 Ca 0.11 1.01 -0.29 0.00 -0.42 0.00 0.00 57.16 57.57 3f93 n GLU 404 Cb 0.39 -5.51 -0.01 0.00 -0.57 0.00 0.00 31.44 25.74 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 -1.58 -2.08 0.22 1.62 7.64 -1.05 -4.87 113.62 113.52 3f93 n SER 405 Ca -0.21 -0.94 0.08 0.00 1.01 0.00 0.00 58.87 58.82 3f93 n SER 405 Cb 0.65 -3.28 0.62 0.00 -1.01 0.00 0.00 64.21 61.18 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 -1.81 1.00 -2.80 0.44 2.10 -1.76 -3.40 117.51 111.29 3f93 h ILE 406 Ca -0.61 -0.02 -0.64 0.00 1.08 0.00 0.00 64.86 64.67 3f93 h ILE 406 Cb 1.38 0.93 -0.06 0.00 -1.09 0.00 0.00 36.82 37.98 3f93 h ILE 406 CO 0.67 0.01 -0.41 -0.76 -1.08 0.00 0.00 178.15 176.58 3f93 s LEU 407 N -9.11 4.39 0.66 2.19 1.43 -1.26 -3.84 118.68 113.15 3f93 s LEU 407 Ca -0.05 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 3f93 s LEU 407 Cb 0.17 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3f93 s LEU 407 CO 0.68 0.33 1.05 -2.16 0.23 0.00 0.00 176.35 176.48 3f93 s PRO 408 N -1.37 3.21 -0.24 1.29 0.04 -1.26 -4.97 135.00 131.70 3f93 s PRO 408 Ca 0.22 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 3f93 s PRO 408 Cb -0.13 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3f93 s PRO 408 CO 0.11 -0.88 0.32 0.42 0.04 0.00 0.00 177.00 177.01 3f93 s ILE 409 N -3.05 5.23 -0.10 0.56 1.01 0.82 -4.83 121.20 120.84 3f93 s ILE 409 Ca 0.57 0.50 -0.36 0.00 0.00 0.00 0.00 60.65 61.37 3f93 s ILE 409 Cb -0.13 -3.65 -0.13 0.00 0.01 0.00 0.00 42.46 38.55 3f93 s ILE 409 CO 0.53 0.23 1.79 0.29 0.00 0.00 0.00 174.94 177.78 3f93 n LYS 410 N 4.83 1.85 0.16 2.79 4.01 -1.26 -1.48 118.16 129.05 3f93 n LYS 410 Ca -0.10 0.68 0.10 0.00 -0.51 0.00 0.00 58.31 58.48 3f93 n LYS 410 Cb 0.51 -2.46 0.55 0.00 -0.51 0.00 0.00 35.03 33.12 3f93 n LYS 410 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3f93 n ALA 411 N 5.75 1.02 1.45 7.82 0.00 -1.26 -1.37 120.51 133.93 3f93 n ALA 411 Ca 0.23 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.99 3f93 n ALA 411 Cb 0.24 -1.27 0.50 0.00 0.00 0.00 0.00 19.45 18.92 3f93 n ALA 411 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f93 n SER 412 N -2.21 1.49 -4.66 0.00 3.41 -1.26 -3.76 113.62 106.62 3f93 n SER 412 Ca -0.01 -1.53 -0.30 0.00 -0.26 0.00 0.00 58.87 56.77 3f93 n SER 412 Cb 0.05 -0.02 0.17 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.90 2.88 -0.29 4.04 0.01 -0.47 -4.04 113.70 113.92 3f93 s SER 413 Ca 0.37 1.70 -0.20 0.00 1.31 0.00 0.00 55.95 59.13 3f93 s SER 413 Cb 0.20 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 3f93 s SER 413 CO 0.32 -3.05 0.61 -0.60 0.41 0.00 0.00 173.24 170.93 3f93 s ARG 414 N -4.76 3.94 -0.04 12.44 3.52 -1.26 -1.41 118.95 131.39 3f93 s ARG 414 Ca 0.65 0.31 0.06 0.00 -0.13 0.00 0.00 55.73 56.63 3f93 s ARG 414 Cb -0.21 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.46 3f93 s ARG 414 CO 0.59 -0.52 -0.23 0.42 -0.81 0.00 0.00 175.30 174.75 3f93 s ILE 415 N 2.54 2.31 -0.25 4.11 1.01 0.81 0.12 121.20 131.85 3f93 s ILE 415 Ca 0.24 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3f93 s ILE 415 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3f93 s ILE 415 CO 0.11 0.58 0.06 -0.22 0.00 0.00 0.00 174.94 175.47 3f93 s LEU 416 N -0.50 3.40 -0.28 2.97 2.96 -0.76 -1.89 118.68 124.57 3f93 s LEU 416 Ca 0.06 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 3f93 s LEU 416 Cb -0.11 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3f93 s LEU 416 CO 0.01 -0.04 0.35 -0.69 -1.32 0.00 0.00 176.35 174.65 3f93 s VAL 417 N 1.60 5.19 0.36 1.68 1.01 -0.37 0.13 120.40 129.99 3f93 s VAL 417 Ca 0.06 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3f93 s VAL 417 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3f93 s VAL 417 CO 0.03 0.12 0.12 0.00 0.00 0.00 0.00 175.10 175.37 3f93 s ALA 418 N 2.02 2.52 0.00 5.51 0.00 0.62 -1.75 121.76 130.68 3f93 s ALA 418 Ca 0.13 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.51 3f93 s ALA 418 Cb -0.16 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3f93 s ALA 418 CO 0.10 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3f93 n GLY 419 N -0.76 1.94 0.16 0.00 0.00 -0.21 0.41 105.19 106.73 3f93 n GLY 419 Ca -0.03 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 0.49 0.00 1.61 1.57 -1.73 -2.71 116.57 115.79 3f93 h LYS 420 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3f93 h LYS 420 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3f93 h LYS 420 CO 0.00 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.66 3f93 n GLY 421 N -1.06 -0.90 0.20 3.86 0.00 -1.03 -4.06 105.19 102.20 3f93 n GLY 421 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 3.13 0.62 -0.27 4.61 0.00 -1.55 -3.27 119.26 122.52 3f93 h ALA 422 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3f93 h ALA 422 Cb 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.51 3f93 h ALA 422 CO 0.00 -0.20 -0.88 -1.71 0.00 0.00 0.00 179.25 176.47 3f93 n ASN 423 N -4.98 2.19 -3.94 0.00 5.15 -1.26 -0.98 115.26 111.44 3f93 n ASN 423 Ca 0.05 -2.87 -0.31 0.00 -0.60 0.00 0.00 54.58 50.86 3f93 n ASN 423 Cb 0.19 -0.41 -0.15 0.00 -0.53 0.00 0.00 39.78 38.88 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 -2.55 2.45 0.23 5.20 0.00 -1.23 -4.90 121.76 120.95 3f93 s ALA 424 Ca 0.37 -2.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.12 3f93 s ALA 424 Cb 0.37 -1.83 0.24 0.00 0.00 0.00 0.00 23.12 21.90 3f93 s ALA 424 CO -0.07 -1.64 1.60 0.82 0.00 0.00 0.00 175.76 176.47 3f93 h ILE 425 N 6.58 1.30 -0.97 0.00 2.04 -1.92 -2.55 117.51 122.01 3f93 h ILE 425 Ca -0.08 -1.59 0.13 0.00 1.00 0.00 0.00 64.86 64.32 3f93 h ILE 425 Cb 1.02 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.62 3f93 h ILE 425 CO 0.50 0.50 0.61 -0.55 0.00 0.00 0.00 178.15 179.21 3f93 h ASN 426 N 0.42 0.85 -0.34 1.72 -0.00 -1.86 0.67 115.58 117.04 3f93 h ASN 426 Ca 0.03 0.05 -0.17 0.00 -0.00 0.00 0.00 56.30 56.21 3f93 h ASN 426 Cb 0.91 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 39.10 3f93 h ASN 426 CO 0.08 0.44 -0.45 0.24 -0.00 0.00 0.00 177.43 177.74 3f93 h MET 427 N 0.91 0.91 0.00 4.14 2.86 -1.80 -1.37 114.93 120.58 3f93 h MET 427 Ca 0.48 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3f93 h MET 427 Cb 0.55 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3f93 h MET 427 CO -0.25 1.17 0.00 -0.56 1.06 0.00 0.00 176.91 178.33 3f93 h GLN 428 N 0.71 0.00 0.02 1.72 3.07 -0.94 -3.14 115.11 116.56 3f93 h GLN 428 Ca 0.04 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.46 3f93 h GLN 428 Cb 1.05 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.56 3f93 h GLN 428 CO 0.11 0.00 -1.94 0.00 0.09 0.00 0.00 178.83 177.08 3f93 n ALA 429 N -2.07 1.40 -0.65 0.06 0.00 0.09 -1.67 120.51 117.67 3f93 n ALA 429 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3f93 n ALA 429 Cb 0.35 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3f93 n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f93 n GLY 430 N 1.70 -0.68 3.57 0.00 0.00 -0.52 -4.66 105.19 104.59 3f93 n GLY 430 Ca -0.24 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.51 1.55 -1.44 -0.02 0.00 -1.22 -3.98 107.32 98.70 3f93 s GLY 431 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 44.72 43.97 3f93 s GLY 431 CO 0.00 0.14 0.85 0.79 0.00 0.00 0.00 173.10 174.87 3f93 n TRP 432 N -4.74 -2.12 -3.66 1.90 7.02 0.29 -4.95 117.44 111.19 3f93 n TRP 432 Ca 0.09 0.87 -0.29 0.00 -1.02 0.00 0.00 57.50 57.16 3f93 n TRP 432 Cb 0.58 -4.15 -0.13 0.00 -2.42 0.00 0.00 31.31 25.20 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 -3.79 3.43 0.00 -0.99 0.01 -1.26 -4.64 113.70 106.47 3f93 s SER 433 Ca 0.37 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 54.98 3f93 s SER 433 Cb -0.18 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.13 3f93 s SER 433 CO 0.82 -0.26 0.00 0.52 0.41 0.00 0.00 173.24 174.74 3f93 n VAL 434 N 3.50 0.00 -3.81 3.43 0.31 0.35 -4.79 118.33 117.33 3f93 n VAL 434 Ca 0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.24 3f93 n VAL 434 Cb 0.36 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.27 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 5.85 0.04 4.52 1.04 -1.26 -4.69 113.70 119.19 3f93 s SER 435 Ca 0.00 -0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.00 3f93 s SER 435 Cb 0.00 -1.40 -0.13 0.00 0.10 0.00 0.00 66.02 64.59 3f93 s SER 435 CO 0.00 -0.23 1.36 -0.25 0.98 0.00 0.00 173.24 175.09 3f93 h TRP 436 N 1.16 -0.81 -0.08 5.02 7.01 -1.80 -3.18 115.95 123.27 3f93 h TRP 436 Ca -0.48 -0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.36 3f93 h TRP 436 Cb 1.24 0.27 0.01 0.00 -2.10 0.00 0.00 29.16 28.59 3f93 h TRP 436 CO 0.48 -0.49 -0.51 1.96 -2.79 0.00 0.00 178.44 177.09 3f93 h GLN 437 N -0.84 0.49 0.00 2.65 1.08 -1.91 0.84 115.11 117.42 3f93 h GLN 437 Ca -0.08 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 3f93 h GLN 437 Cb 0.65 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 3f93 h GLN 437 CO 0.12 1.05 0.00 0.41 -0.95 0.00 0.00 178.83 179.47 3f93 n GLY 438 N 0.77 0.99 0.32 3.46 0.00 -1.26 -2.37 105.19 107.11 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 -0.84 0.00 0.00 0.00 173.32 172.48 3f93 h THR 439 N 0.00 1.04 -0.23 2.61 2.02 -1.93 -1.68 112.91 114.74 3f93 h THR 439 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3f93 h THR 439 Cb 0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3f93 h THR 439 CO 0.00 0.10 0.00 0.47 0.37 0.00 0.00 175.52 176.46 3f93 n ASP 440 N -4.47 2.04 -4.70 4.18 8.00 -1.26 -4.89 116.55 115.45 3f93 n ASP 440 Ca 0.06 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.34 3f93 n ASP 440 Cb 0.16 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3f93 n ASP 440 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3f93 s ASN 441 N -1.48 7.27 0.45 -2.24 0.01 -0.63 -5.05 114.94 113.26 3f93 s ASN 441 Ca 0.33 1.65 0.08 0.00 -0.71 0.00 0.00 52.86 54.21 3f93 s ASN 441 Cb 0.18 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.29 3f93 s ASN 441 CO 0.26 -0.38 0.54 0.42 -1.51 0.00 0.00 177.10 176.43 3f93 s THR 442 N 1.52 2.67 0.64 1.60 -4.23 -1.26 -4.67 115.64 111.91 3f93 s THR 442 Ca 0.51 -1.14 0.37 0.00 -1.18 0.00 0.00 61.69 60.26 3f93 s THR 442 Cb -0.21 -2.80 0.39 0.00 1.34 0.00 0.00 72.50 71.22 3f93 s THR 442 CO 0.24 0.00 2.22 0.78 -0.54 0.00 0.00 174.62 177.32 3f93 h ASN 443 N 0.69 0.00 0.32 3.99 -0.26 -1.96 -1.56 115.58 116.80 3f93 h ASN 443 Ca -0.38 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 3f93 h ASN 443 Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 3f93 h ASN 443 CO 0.49 0.00 -0.02 -1.54 -1.06 0.00 0.00 177.43 175.30 3f93 n SER 444 N -3.29 0.14 -0.10 5.81 3.41 -1.26 -2.20 113.62 116.13 3f93 n SER 444 Ca -0.02 -0.56 0.14 0.00 -0.26 0.00 0.00 58.87 58.17 3f93 n SER 444 Cb 0.18 -0.14 0.57 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.07 0.46 -3.56 4.04 8.00 -0.58 -4.42 116.55 119.41 3f93 n ASP 445 Ca 0.18 -0.46 -0.27 0.00 0.71 0.00 0.00 54.79 54.95 3f93 n ASP 445 Cb 0.21 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.04 1.82 0.11 1.24 3.72 -0.93 -4.53 117.46 117.85 3f93 n PHE 446 Ca 0.13 -3.93 0.07 0.00 -0.05 0.00 0.00 57.45 53.67 3f93 n PHE 446 Cb 0.29 -0.36 0.53 0.00 -0.94 0.00 0.00 39.48 39.01 3f93 n PHE 446 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3f93 h PRO 447 N 4.93 0.28 -0.29 -1.08 0.13 -1.77 -2.82 132.00 131.38 3f93 h PRO 447 Ca 0.18 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3f93 h PRO 447 Cb 0.79 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3f93 h PRO 447 CO 0.63 0.18 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 3f93 n ASN 448 N -4.50 2.91 -4.87 1.44 5.03 -1.26 -4.99 115.26 109.01 3f93 n ASN 448 Ca 0.01 -1.86 -0.30 0.00 0.87 0.00 0.00 54.58 53.30 3f93 n ASN 448 Cb 0.11 -0.19 0.05 0.00 -1.02 0.00 0.00 39.78 38.74 3f93 n ASN 448 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f93 s ALA 449 N -1.15 2.80 -0.05 5.41 0.00 -1.07 -4.94 121.76 122.76 3f93 s ALA 449 Ca 0.27 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.95 3f93 s ALA 449 Cb 0.16 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 3f93 s ALA 449 CO 0.22 -1.23 -0.17 0.99 0.00 0.00 0.00 175.76 175.57 3f93 s THR 450 N -3.33 1.44 0.75 0.00 2.01 0.16 -4.98 115.64 111.69 3f93 s THR 450 Ca 0.59 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 3f93 s THR 450 Cb -0.12 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.19 3f93 s THR 450 CO 0.52 0.42 1.11 -0.94 -0.69 0.00 0.00 174.62 175.03 3f93 s SER 451 N 0.08 4.98 0.18 3.53 1.04 -1.26 -0.61 113.70 121.64 3f93 s SER 451 Ca -0.05 1.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.41 3f93 s SER 451 Cb -0.12 -1.90 0.13 0.00 0.10 0.00 0.00 66.02 64.23 3f93 s SER 451 CO 0.03 -1.64 1.81 0.40 0.98 0.00 0.00 173.24 174.82 3f93 h ILE 452 N -0.86 1.03 -0.46 -1.02 2.04 -1.78 -2.54 117.51 113.91 3f93 h ILE 452 Ca -0.46 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3f93 h ILE 452 Cb 1.27 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3f93 h ILE 452 CO 0.62 0.11 0.20 0.15 0.00 0.00 0.00 178.15 179.23 3f93 h PHE 453 N 0.62 0.35 -0.53 1.37 3.57 -1.40 -1.95 116.94 118.97 3f93 h PHE 453 Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3f93 h PHE 453 Cb 0.06 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3f93 h PHE 453 CO -0.07 0.15 0.30 0.77 -2.23 0.00 0.00 178.31 177.23 3f93 h SER 454 N 0.39 0.66 -0.70 0.41 0.02 -1.75 0.26 113.55 112.84 3f93 h SER 454 Ca 0.21 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3f93 h SER 454 Cb 0.17 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3f93 h SER 454 CO -0.19 0.55 0.46 1.23 -1.14 0.00 0.00 176.83 177.75 3f93 h GLY 455 N 0.71 0.98 0.84 -3.77 0.00 -1.43 0.45 103.07 100.86 3f93 h GLY 455 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3f93 h GLY 455 CO -0.03 0.36 -0.14 1.41 0.00 0.00 0.00 176.54 178.13 3f93 h LEU 456 N 0.94 -0.33 -0.38 3.11 3.38 -0.93 -2.77 115.31 118.34 3f93 h LEU 456 Ca 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3f93 h LEU 456 Cb -0.10 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3f93 h LEU 456 CO -0.06 -0.10 0.25 -0.61 0.09 0.00 0.00 178.44 178.01 3f93 h GLN 457 N -0.55 0.51 -0.83 1.13 -0.00 -0.11 -0.48 115.11 114.77 3f93 h GLN 457 Ca -0.04 -0.03 0.20 0.00 -0.00 0.00 0.00 58.65 58.77 3f93 h GLN 457 Cb 0.41 -0.11 -0.12 0.00 0.00 0.00 0.00 27.48 27.65 3f93 h GLN 457 CO 0.07 0.34 0.29 1.03 0.00 0.00 0.00 178.83 180.56 3f93 h SER 458 N 0.52 0.17 0.29 -0.69 0.87 -0.13 0.18 113.55 114.75 3f93 h SER 458 Ca 0.14 0.15 -0.34 0.00 -1.23 0.00 0.00 61.79 60.52 3f93 h SER 458 Cb -0.05 0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3f93 h SER 458 CO -0.03 -0.03 -1.65 1.56 -0.53 0.00 0.00 176.83 176.15 3f93 h GLN 459 N 0.33 0.37 -0.06 2.24 4.20 -1.00 -2.42 115.11 118.77 3f93 h GLN 459 Ca 0.50 -0.63 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 3f93 h GLN 459 Cb 0.91 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3f93 h GLN 459 CO -0.53 1.27 -0.41 -0.39 -0.67 0.00 0.00 178.83 178.10 3f93 h VAL 460 N 0.10 1.30 -0.25 -0.54 -1.51 -0.93 -2.40 116.25 112.02 3f93 h VAL 460 Ca -0.30 -1.47 -0.17 0.00 -1.23 0.00 0.00 66.70 63.53 3f93 h VAL 460 Cb 2.08 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 32.95 3f93 h VAL 460 CO 0.19 0.43 -0.51 0.74 -1.23 0.00 0.00 177.57 177.19 3f93 h THR 461 N 0.12 1.30 0.00 7.19 2.02 -1.00 0.20 112.91 122.73 3f93 h THR 461 Ca 0.01 -1.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 3f93 h THR 461 Cb 0.77 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 3f93 h THR 461 CO 0.06 0.55 -0.09 0.11 0.37 0.00 0.00 175.52 176.52 3f93 h LYS 462 N 0.55 0.00 -0.00 6.66 1.57 -1.23 -3.05 116.57 121.06 3f93 h LYS 462 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3f93 h LYS 462 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3f93 h LYS 462 CO 0.11 0.09 -0.54 0.00 -0.57 0.00 0.00 179.45 178.54 3f93 n ALA 463 N -2.30 3.67 -0.84 3.86 0.00 -0.89 -4.96 120.51 119.06 3f93 n ALA 463 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3f93 n ALA 463 Cb 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.45 0.53 1.33 0.00 0.00 -0.47 -4.55 105.19 103.47 3f93 n GLY 464 Ca 0.07 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.84 -1.26 3.26 -0.02 0.00 0.57 -4.92 105.19 99.98 3f93 n GLY 465 Ca 0.00 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 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 -4.00 1.13 -0.28 1.61 -0.14 -0.50 -4.65 119.74 112.92 3f93 s LYS 466 Ca 0.26 -1.07 -0.17 0.00 -1.36 0.00 0.00 55.97 53.63 3f93 s LYS 466 Cb -0.01 -1.32 0.09 0.00 -1.68 0.00 0.00 37.83 34.91 3f93 s LYS 466 CO 0.18 0.31 0.73 -1.50 -0.76 0.00 0.00 175.35 174.31 3f93 s ILE 467 N -1.08 0.00 0.17 2.17 2.07 -1.26 -0.13 121.20 123.14 3f93 s ILE 467 Ca 0.05 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.36 3f93 s ILE 467 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 3f93 s ILE 467 CO 0.03 0.00 -0.15 0.42 -1.91 0.00 0.00 174.94 173.34 3f93 s THR 468 N 1.43 1.58 -0.25 4.00 -4.23 -0.79 -4.98 115.64 112.41 3f93 s THR 468 Ca -0.08 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.37 3f93 s THR 468 Cb -0.05 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 3f93 s THR 468 CO -0.17 -0.50 0.02 -0.22 -0.54 0.00 0.00 174.62 173.20 3f93 s LEU 469 N -2.93 3.26 -0.10 4.79 2.96 -1.26 -1.24 118.68 124.17 3f93 s LEU 469 Ca 0.17 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3f93 s LEU 469 Cb -0.03 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3f93 s LEU 469 CO 0.05 -0.06 0.05 -0.55 -1.32 0.00 0.00 176.35 174.52 3f93 s SER 470 N 1.52 1.73 0.23 3.68 0.15 -0.71 -5.00 113.70 115.29 3f93 s SER 470 Ca 0.05 -0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 3f93 s SER 470 Cb -0.15 -0.28 0.39 0.00 -1.71 0.00 0.00 66.02 64.27 3f93 s SER 470 CO -0.00 -0.27 1.73 -0.33 1.20 0.00 0.00 173.24 175.57 3f93 h GLU 471 N 8.39 0.41 -0.21 5.44 4.39 -1.82 -1.33 114.58 129.86 3f93 h GLU 471 Ca -0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3f93 h GLU 471 Cb 1.13 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3f93 h GLU 471 CO 0.23 0.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.22 3f93 n SER 472 N -5.01 1.71 -0.53 1.42 3.41 -1.26 -1.04 113.62 112.32 3f93 n SER 472 Ca 0.12 -1.77 -0.02 0.00 -0.26 0.00 0.00 58.87 56.94 3f93 n SER 472 Cb 0.36 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.11 0.67 3.85 5.00 0.00 -0.50 -5.00 105.19 110.33 3f93 n GLY 473 Ca 0.15 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.75 3.97 -0.00 1.61 2.02 -1.26 -5.02 118.70 115.27 3f93 s GLU 474 Ca 0.03 0.52 -0.22 0.00 0.02 0.00 0.00 54.97 55.32 3f93 s GLU 474 Cb -0.01 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.52 3f93 s GLU 474 CO 0.03 0.36 0.49 1.52 0.02 0.00 0.00 175.26 177.68 3f93 s TYR 475 N -1.67 -0.39 -0.06 1.61 1.13 -1.26 -4.62 117.35 112.08 3f93 s TYR 475 Ca 0.44 0.57 -0.05 0.00 -1.41 0.00 0.00 57.07 56.63 3f93 s TYR 475 Cb -0.13 0.26 -0.02 0.00 -1.10 0.00 0.00 41.96 40.98 3f93 s TYR 475 CO 0.20 -0.54 -0.09 2.41 -2.51 0.00 0.00 175.55 175.02 3f93 n THR 476 N 0.85 0.58 -2.61 -3.49 -1.04 -1.26 -4.91 114.28 102.40 3f93 n THR 476 Ca -0.20 0.38 -0.41 0.00 -2.04 0.00 0.00 64.05 61.79 3f93 n THR 476 Cb 0.58 -1.86 -0.05 0.00 -1.82 0.00 0.00 70.33 67.19 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 -4.49 7.42 0.26 8.00 0.01 -1.26 -5.01 113.70 118.62 3f93 s SER 477 Ca -0.07 2.04 -0.30 0.00 1.31 0.00 0.00 55.95 58.93 3f93 s SER 477 Cb 0.01 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.53 3f93 s SER 477 CO 0.11 -0.06 1.41 -0.75 0.41 0.00 0.00 173.24 174.35 3f93 s LYS 478 N -0.80 4.29 0.43 12.44 2.20 -1.26 -5.02 119.74 132.02 3f93 s LYS 478 Ca 0.45 2.26 -0.01 0.00 -0.36 0.00 0.00 55.97 58.32 3f93 s LYS 478 Cb -0.28 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3f93 s LYS 478 CO 0.35 -0.37 0.66 -1.25 -0.36 0.00 0.00 175.35 174.38 3f93 s PRO 479 N -0.56 3.28 0.26 4.03 0.05 -1.26 -5.01 135.00 135.79 3f93 s PRO 479 Ca 0.57 -0.29 -0.01 0.00 0.05 0.00 0.00 61.00 61.33 3f93 s PRO 479 Cb -0.41 -2.55 0.34 0.00 0.05 0.00 0.00 34.50 31.93 3f93 s PRO 479 CO 0.44 -0.14 1.72 -0.44 0.05 0.00 0.00 177.00 178.64 3f93 h ASP 480 N 0.46 0.65 -4.36 6.66 3.32 -0.71 -3.46 116.42 118.97 3f93 h ASP 480 Ca -0.47 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.32 3f93 h ASP 480 Cb 1.23 -0.17 -0.21 0.00 0.22 0.00 0.00 39.33 40.40 3f93 h ASP 480 CO 0.60 0.82 0.10 0.54 -1.72 0.00 0.00 179.24 179.57 3f93 s VAL 481 N -4.70 0.00 -0.20 -1.35 0.11 -1.22 -4.30 120.40 108.74 3f93 s VAL 481 Ca -0.08 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 3f93 s VAL 481 Cb 0.14 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3f93 s VAL 481 CO 0.81 -0.01 0.10 0.00 -3.33 0.00 0.00 175.10 172.66 3f93 s ALA 482 N -0.23 3.52 -0.25 1.54 0.00 0.04 -1.83 121.76 124.56 3f93 s ALA 482 Ca -0.04 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 3f93 s ALA 482 Cb -0.03 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 3f93 s ALA 482 CO 0.04 0.11 0.31 0.42 0.00 0.00 0.00 175.76 176.63 3f93 s ILE 483 N 0.49 5.24 -0.27 0.00 1.01 0.35 -0.94 121.20 127.08 3f93 s ILE 483 Ca 0.05 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.19 3f93 s ILE 483 Cb -0.12 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.77 3f93 s ILE 483 CO 0.00 0.23 -0.08 -0.69 0.00 0.00 0.00 174.94 174.40 3f93 s VAL 484 N 1.65 2.27 -0.28 2.92 1.01 0.14 -0.27 120.40 127.84 3f93 s VAL 484 Ca 0.13 -1.67 -0.13 0.00 0.00 0.00 0.00 61.98 60.31 3f93 s VAL 484 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3f93 s VAL 484 CO 0.09 -0.09 0.29 -0.69 0.00 0.00 0.00 175.10 174.70 3f93 s VAL 485 N 1.10 5.24 0.13 2.92 1.01 0.16 -0.65 120.40 130.31 3f93 s VAL 485 Ca -0.07 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 3f93 s VAL 485 Cb -0.20 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3f93 s VAL 485 CO -0.05 0.17 0.09 0.27 0.00 0.00 0.00 175.10 175.58 3f93 s ILE 486 N 1.92 0.10 -3.61 2.22 -4.36 -0.07 -2.47 121.20 114.93 3f93 s ILE 486 Ca 0.11 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 3f93 s ILE 486 Cb -0.16 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.56 3f93 s ILE 486 CO 0.11 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.43 3f93 n GLY 487 N -0.10 -0.80 3.80 6.27 0.00 -1.26 -0.35 105.19 112.75 3f93 n GLY 487 Ca -0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.44 3.84 0.52 1.61 2.02 -0.32 -4.97 118.70 119.96 3f93 s GLU 488 Ca 0.00 1.34 -0.22 0.00 0.02 0.00 0.00 54.97 56.11 3f93 s GLU 488 Cb 0.00 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 3f93 s GLU 488 CO 0.00 -0.39 1.29 -1.21 0.02 0.00 0.00 175.26 174.96 3f93 s GLU 489 N -3.23 3.31 0.58 1.61 0.41 -1.26 -4.87 118.70 115.25 3f93 s GLU 489 Ca 0.67 2.06 -0.20 0.00 -0.41 0.00 0.00 54.97 57.09 3f93 s GLU 489 Cb -0.16 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 3f93 s GLU 489 CO 0.19 -1.00 1.20 -0.35 -0.49 0.00 0.00 175.26 174.81 3f93 n PRO 490 N -0.91 1.27 -3.57 0.39 -0.04 -1.26 -4.94 135.00 125.93 3f93 n PRO 490 Ca 0.10 0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 63.92 3f93 n PRO 490 Cb 0.46 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 3f93 n PRO 490 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3f93 s TYR 491 N -1.38 -0.34 0.03 0.54 -0.85 -1.00 -4.52 117.35 109.82 3f93 s TYR 491 Ca 0.75 0.15 0.03 0.00 -0.52 0.00 0.00 57.07 57.48 3f93 s TYR 491 Cb -0.42 0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 3f93 s TYR 491 CO 0.47 -0.72 -0.08 0.00 -1.52 0.00 0.00 175.55 173.70 3f93 s ALA 492 N -3.41 0.64 0.00 9.51 0.00 -1.26 -3.39 121.76 123.85 3f93 s ALA 492 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3f93 s ALA 492 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3f93 s ALA 492 CO -0.09 0.07 0.00 0.39 0.00 0.00 0.00 175.76 176.13 3f93 n GLU 493 N 2.05 0.00 0.30 0.00 1.02 -1.26 -2.61 120.64 120.14 3f93 n GLU 493 Ca -0.18 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.14 3f93 n GLU 493 Cb 0.56 0.00 1.00 0.00 -0.02 0.00 0.00 31.44 32.98 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 -0.29 -0.32 0.09 -1.94 -0.98 115.95 112.51 3f93 h TRP 494 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.89 59.06 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 0.32 0.74 0.09 0.00 0.00 178.44 179.59 3f93 h PHE 495 N 0.00 0.00 -0.32 0.12 0.04 -1.88 -1.50 116.94 113.41 3f93 h PHE 495 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3f93 h PHE 495 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3f93 h PHE 495 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3f93 n GLY 496 N -1.45 1.37 3.73 -1.45 0.00 -0.37 -4.89 105.19 102.14 3f93 n GLY 496 Ca 0.04 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3f93 n GLY 496 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f93 s ASP 497 N -1.53 6.52 0.19 1.61 1.11 -0.57 -3.66 116.67 120.33 3f93 s ASP 497 Ca 0.37 2.74 0.04 0.00 0.18 0.00 0.00 52.55 55.88 3f93 s ASP 497 Cb 0.21 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 3f93 s ASP 497 CO 0.30 -0.85 -0.04 0.27 1.18 0.00 0.00 175.17 176.04 3f93 s ILE 498 N 0.70 1.02 -0.06 0.77 -4.36 -0.80 -4.93 121.20 113.54 3f93 s ILE 498 Ca 0.68 -2.03 0.09 0.00 -0.26 0.00 0.00 60.65 59.12 3f93 s ILE 498 Cb -0.45 -2.10 -0.13 0.00 1.25 0.00 0.00 42.46 41.02 3f93 s ILE 498 CO 0.37 -0.52 0.11 -0.62 0.24 0.00 0.00 174.94 174.52 3f93 n GLU 499 N -0.30 1.60 -5.07 0.37 -0.58 -1.26 -4.79 120.64 110.62 3f93 n GLU 499 Ca -0.07 -0.04 -0.32 0.00 -0.42 0.00 0.00 57.16 56.31 3f93 n GLU 499 Cb 0.62 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 30.10 3f93 n GLU 499 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3f93 s LEU 500 N -4.31 2.39 0.22 -4.62 2.01 -1.26 -5.01 118.68 108.10 3f93 s LEU 500 Ca -0.04 -0.38 0.24 0.00 0.01 0.00 0.00 54.13 53.96 3f93 s LEU 500 Cb 0.04 -1.47 0.47 0.00 0.01 0.00 0.00 46.19 45.24 3f93 s LEU 500 CO 0.41 0.27 1.50 -0.07 1.01 0.00 0.00 176.35 179.46 3f93 h LEU 501 N 5.91 0.00 -9.72 1.79 3.38 -1.95 -3.46 115.31 111.25 3f93 h LEU 501 Ca -0.36 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 3f93 h LEU 501 Cb 1.17 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.98 3f93 h LEU 501 CO 0.50 0.04 0.84 -0.70 0.09 0.00 0.00 178.44 179.20 3f93 s GLU 502 N -3.18 4.20 0.14 1.13 2.12 -1.26 -1.59 118.70 120.27 3f93 s GLU 502 Ca 0.07 2.42 -0.31 0.00 0.36 0.00 0.00 54.97 57.51 3f93 s GLU 502 Cb 0.11 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.33 3f93 s GLU 502 CO 0.68 -0.55 1.35 0.12 -0.54 0.00 0.00 175.26 176.32 3f93 s PHE 503 N 0.34 3.26 -1.51 5.30 5.36 -0.83 -3.60 117.98 126.30 3f93 s PHE 503 Ca 0.64 1.07 -0.08 0.00 -0.96 0.00 0.00 56.93 57.60 3f93 s PHE 503 Cb -0.45 -3.64 0.06 0.00 -0.34 0.00 0.00 43.02 38.66 3f93 s PHE 503 CO 0.41 -2.14 0.67 1.04 -1.46 0.00 0.00 175.22 173.74 3f93 n GLN 504 N 3.47 -3.89 -0.34 10.12 6.02 -1.26 -4.70 117.38 126.79 3f93 n GLN 504 Ca 0.09 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.67 3f93 n GLN 504 Cb 0.43 -4.96 0.32 0.00 1.02 0.00 0.00 30.24 27.05 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 -1.80 1.00 -0.06 1.08 2.76 -1.97 0.29 115.15 116.46 3f93 h HIS 505 Ca -0.61 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 57.43 3f93 h HIS 505 Cb 1.38 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 3f93 h HIS 505 CO 0.54 0.18 -0.68 0.93 -1.30 0.00 0.00 177.93 177.60 3f93 h GLU 506 N 0.69 0.28 0.00 5.26 3.07 -1.93 -3.39 114.58 118.56 3f93 h GLU 506 Ca 0.58 -0.22 -0.24 0.00 -0.50 0.00 0.00 59.36 58.98 3f93 h GLU 506 Cb 0.95 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.86 3f93 h GLU 506 CO -0.41 0.86 -1.92 0.25 -1.40 0.00 0.00 179.01 176.39 3f93 n THR 507 N -3.83 0.93 -2.28 1.13 -2.24 -0.56 -4.99 114.28 102.44 3f93 n THR 507 Ca -0.03 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3f93 n THR 507 Cb 0.67 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.89 -2.06 -0.06 -0.78 4.76 0.92 -4.90 118.16 113.15 3f93 n LYS 508 Ca -0.27 0.64 -0.08 0.00 -2.87 0.00 0.00 58.31 55.73 3f93 n LYS 508 Cb 0.83 -5.19 -0.01 0.00 -1.84 0.00 0.00 35.03 28.81 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 0.00 0.15 -0.64 2.13 -0.00 -1.94 -2.51 115.15 112.35 3f93 h HIS 509 Ca -0.30 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3f93 h HIS 509 Cb 1.17 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.52 3f93 h HIS 509 CO 0.64 0.07 0.39 0.00 -0.00 0.00 0.00 177.93 179.03 3f93 h ALA 510 N 1.16 0.82 -0.92 5.26 0.00 -1.96 -2.98 119.26 120.64 3f93 h ALA 510 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3f93 h ALA 510 Cb 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3f93 h ALA 510 CO -0.12 0.29 0.60 1.25 0.00 0.00 0.00 179.25 181.27 3f93 h LEU 511 N 0.87 1.03 -0.38 0.00 5.85 -1.87 0.11 115.31 120.92 3f93 h LEU 511 Ca 0.23 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3f93 h LEU 511 Cb -0.03 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3f93 h LEU 511 CO -0.04 0.73 0.13 0.00 -0.34 0.00 0.00 178.44 178.91 3f93 h ALA 512 N 1.44 0.44 -0.17 1.25 0.00 -1.31 0.21 119.26 121.12 3f93 h ALA 512 Ca 0.35 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3f93 h ALA 512 Cb -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3f93 h ALA 512 CO -0.09 -0.27 0.06 1.25 0.00 0.00 0.00 179.25 180.20 3f93 h LEU 513 N 0.28 0.24 -0.77 0.00 5.85 -1.00 0.80 115.31 120.71 3f93 h LEU 513 Ca 0.17 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3f93 h LEU 513 Cb 0.16 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3f93 h LEU 513 CO -0.18 0.36 0.43 -0.07 -0.34 0.00 0.00 178.44 178.64 3f93 h LEU 514 N 0.10 0.63 -0.34 2.25 3.38 -0.64 0.15 115.31 120.85 3f93 h LEU 514 Ca 0.06 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3f93 h LEU 514 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3f93 h LEU 514 CO -0.00 0.38 -0.17 0.11 0.09 0.00 0.00 178.44 178.85 3f93 h LYS 515 N 0.76 0.71 -0.86 1.13 1.57 0.03 -2.27 116.57 117.64 3f93 h LYS 515 Ca 0.36 -0.31 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 3f93 h LYS 515 Cb 0.28 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 3f93 h LYS 515 CO -0.22 0.92 0.49 0.37 -0.57 0.00 0.00 179.45 180.44 3f93 h GLN 516 N 0.48 0.77 0.00 3.15 4.15 0.12 -1.20 115.11 122.58 3f93 h GLN 516 Ca 0.07 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 3f93 h GLN 516 Cb 0.71 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3f93 h GLN 516 CO 0.05 0.51 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.89 3f93 h LEU 517 N 0.80 0.00 -0.09 -2.39 3.38 -0.82 -2.99 115.31 113.19 3f93 h LEU 517 Ca 0.43 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.29 3f93 h LEU 517 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3f93 h LEU 517 CO -0.27 0.50 -0.49 0.50 0.09 0.00 0.00 178.44 178.76 3f93 h LYS 518 N 0.00 0.00 -0.00 1.13 3.64 -0.79 -1.79 116.57 118.76 3f93 h LYS 518 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3f93 h LYS 518 Cb 1.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3f93 h LYS 518 CO 0.06 0.49 -0.62 0.00 -2.27 0.00 0.00 179.45 177.12 3f93 h ALA 519 N 1.51 0.97 -0.00 5.00 0.00 -1.10 -1.75 119.26 123.89 3f93 h ALA 519 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3f93 h ALA 519 Cb 1.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3f93 h ALA 519 CO 0.06 0.77 -0.06 -0.25 0.00 0.00 0.00 179.25 179.78 3f93 n ASP 520 N -3.81 0.36 -2.32 0.00 10.43 -1.19 -4.94 116.55 115.08 3f93 n ASP 520 Ca -0.01 -0.65 -0.16 0.00 2.57 0.00 0.00 54.79 56.53 3f93 n ASP 520 Cb 0.61 -0.09 0.03 0.00 1.84 0.00 0.00 41.12 43.51 3f93 n ASP 520 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3f93 n ASN 521 N -0.94 -4.90 -4.67 -2.24 5.15 -0.66 -5.02 115.26 101.98 3f93 n ASN 521 Ca 0.17 -0.24 -0.40 0.00 -0.60 0.00 0.00 54.58 53.51 3f93 n ASN 521 Cb 0.24 -3.70 -0.06 0.00 -0.53 0.00 0.00 39.78 35.74 3f93 n ASN 521 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3f93 s ILE 522 N -3.04 5.03 0.27 -1.44 1.01 -0.68 -5.03 121.20 117.32 3f93 s ILE 522 Ca 0.26 1.23 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 3f93 s ILE 522 Cb -0.11 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.28 3f93 s ILE 522 CO 0.32 0.15 1.58 -2.65 0.00 0.00 0.00 174.94 174.34 3f93 n PRO 523 N 4.75 2.59 -5.20 2.79 -0.02 -1.26 -4.34 135.00 134.31 3f93 n PRO 523 Ca -0.02 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 3f93 n PRO 523 Cb 0.50 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 3f93 n PRO 523 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3f93 s VAL 524 N 0.15 2.16 -0.24 -1.45 0.11 -1.26 -0.78 120.40 119.10 3f93 s VAL 524 Ca 0.66 -1.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 3f93 s VAL 524 Cb -0.53 -1.81 0.01 0.00 -1.53 0.00 0.00 36.38 32.52 3f93 s VAL 524 CO 0.46 0.56 -0.04 -0.69 -3.33 0.00 0.00 175.10 172.07 3f93 s VAL 525 N 0.10 3.20 -0.18 2.04 1.01 -0.11 -0.78 120.40 125.69 3f93 s VAL 525 Ca -0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3f93 s VAL 525 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3f93 s VAL 525 CO 0.06 0.29 0.22 -0.89 0.00 0.00 0.00 175.10 174.79 3f93 s THR 526 N 1.41 5.35 -0.29 3.92 2.01 0.10 0.23 115.64 128.38 3f93 s THR 526 Ca 0.03 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 3f93 s THR 526 Cb -0.16 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.80 3f93 s THR 526 CO -0.03 0.41 0.08 -0.69 -0.69 0.00 0.00 174.62 173.69 3f93 s VAL 527 N 0.46 3.97 -0.40 3.82 1.01 0.18 -0.44 120.40 128.99 3f93 s VAL 527 Ca 0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 3f93 s VAL 527 Cb -0.12 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3f93 s VAL 527 CO 0.01 0.10 0.28 0.12 0.00 0.00 0.00 175.10 175.62 3f93 s PHE 528 N 1.50 3.24 -0.29 5.22 5.36 0.22 -0.89 117.98 132.34 3f93 s PHE 528 Ca 0.03 -0.63 -0.19 0.00 -0.96 0.00 0.00 56.93 55.18 3f93 s PHE 528 Cb -0.17 -2.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 3f93 s PHE 528 CO 0.02 -0.59 0.58 -0.51 -1.46 0.00 0.00 175.22 173.26 3f93 s LEU 529 N 1.66 4.12 0.16 6.12 1.43 0.53 -0.19 118.68 132.51 3f93 s LEU 529 Ca 0.05 0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 53.41 3f93 s LEU 529 Cb -0.19 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.33 3f93 s LEU 529 CO 0.09 -0.40 0.52 -0.94 0.23 0.00 0.00 176.35 175.86 3f93 s SER 530 N 1.59 -0.36 -0.09 2.29 1.04 -1.07 -1.17 113.70 115.94 3f93 s SER 530 Ca 0.23 -0.27 0.14 0.00 0.48 0.00 0.00 55.95 56.53 3f93 s SER 530 Cb -0.15 0.56 0.56 0.00 0.10 0.00 0.00 66.02 67.08 3f93 s SER 530 CO 0.10 -0.97 1.43 0.61 0.98 0.00 0.00 173.24 175.39 3f93 n GLY 531 N -0.32 2.11 3.61 7.32 0.00 -1.26 -3.10 105.19 113.55 3f93 n GLY 531 Ca -0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.78 0.30 0.54 1.61 1.70 -1.26 -1.14 118.95 118.91 3f93 s ARG 532 Ca 0.39 0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 55.48 3f93 s ARG 532 Cb 0.25 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 3f93 s ARG 532 CO 0.19 -0.10 1.38 -2.14 -1.08 0.00 0.00 175.30 173.55 3f93 s PRO 533 N -1.20 3.19 0.11 3.89 0.02 -1.26 -5.02 135.00 134.72 3f93 s PRO 533 Ca 0.05 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.40 3f93 s PRO 533 Cb -0.01 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 3f93 s PRO 533 CO -0.04 -1.17 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.84 3f93 s LEU 534 N -3.44 2.40 -0.29 -5.54 1.43 -1.26 -4.92 118.68 107.07 3f93 s LEU 534 Ca 0.70 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3f93 s LEU 534 Cb -0.41 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 3f93 s LEU 534 CO 0.50 -0.21 1.64 0.86 0.23 0.00 0.00 176.35 179.37 3f93 s TRP 535 N -2.31 2.05 -0.01 0.29 -0.00 -0.62 -4.68 118.94 113.65 3f93 s TRP 535 Ca 0.07 0.59 0.21 0.00 -0.00 0.00 0.00 56.10 56.97 3f93 s TRP 535 Cb -0.04 -4.08 0.35 0.00 -0.00 0.00 0.00 33.47 29.70 3f93 s TRP 535 CO 0.01 -2.78 1.14 1.33 -0.00 0.00 0.00 176.95 176.65 3f93 n VAL 536 N 6.86 0.12 -0.22 5.86 0.24 -1.26 -1.96 118.33 127.97 3f93 n VAL 536 Ca 0.20 -0.94 0.03 0.00 -2.04 0.00 0.00 64.34 61.59 3f93 n VAL 536 Cb 0.46 0.84 0.14 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.81 -0.04 -0.71 -1.34 4.21 -1.88 0.52 115.58 117.15 3f93 h ASN 537 Ca -0.18 0.13 0.05 0.00 1.21 0.00 0.00 56.30 57.51 3f93 h ASN 537 Cb 1.76 0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 39.10 3f93 h ASN 537 CO 0.08 -0.03 0.42 0.11 -1.29 0.00 0.00 177.43 176.72 3f93 h LYS 538 N 0.24 0.78 -0.32 0.81 1.57 -1.91 0.25 116.57 117.99 3f93 h LYS 538 Ca 0.36 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3f93 h LYS 538 Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3f93 h LYS 538 CO -0.47 0.51 -0.44 0.93 -0.57 0.00 0.00 179.45 179.42 3f93 h GLU 539 N 0.80 0.81 -0.28 3.15 3.07 -1.51 -2.76 114.58 117.86 3f93 h GLU 539 Ca 0.30 -0.45 0.02 0.00 -0.50 0.00 0.00 59.36 58.73 3f93 h GLU 539 Cb 0.11 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3f93 h GLU 539 CO -0.15 1.08 0.14 -0.07 -1.40 0.00 0.00 179.01 178.61 3f93 h LEU 540 N 0.65 0.20 -1.63 1.33 3.38 0.10 -2.17 115.31 117.17 3f93 h LEU 540 Ca 0.04 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3f93 h LEU 540 Cb 1.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3f93 h LEU 540 CO 0.10 0.16 0.28 0.78 0.09 0.00 0.00 178.44 179.84 3f93 h ASN 541 N 0.29 0.43 -0.40 -0.43 2.35 -0.47 -0.96 115.58 116.38 3f93 h ASN 541 Ca 0.12 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3f93 h ASN 541 Cb 0.04 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3f93 h ASN 541 CO -0.08 0.30 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 3f93 n ALA 542 N -2.49 3.02 -2.67 -0.83 0.00 -0.86 -4.84 120.51 111.84 3f93 n ALA 542 Ca 0.04 -1.06 -0.19 0.00 0.00 0.00 0.00 53.44 52.23 3f93 n ALA 542 Cb 0.11 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.69 1.27 -0.02 0.00 0.01 -0.37 -4.71 113.70 109.20 3f93 s SER 543 Ca 0.33 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 3f93 s SER 543 Cb 0.22 -0.11 -0.27 0.00 0.21 0.00 0.00 66.02 66.08 3f93 s SER 543 CO 0.14 0.06 0.78 0.44 0.41 0.00 0.00 173.24 175.08 3f93 h ASP 544 N 5.49 0.33 -4.30 2.44 5.19 -1.21 -3.46 116.42 120.91 3f93 h ASP 544 Ca -0.34 -0.51 -0.53 0.00 -0.62 0.00 0.00 57.03 55.04 3f93 h ASP 544 Cb 1.18 -0.11 -0.26 0.00 0.18 0.00 0.00 39.33 40.32 3f93 h ASP 544 CO 0.47 1.43 -0.82 0.00 -3.12 0.00 0.00 179.24 177.20 3f93 s ALA 545 N -2.61 1.49 -0.05 3.45 0.00 -1.02 -0.66 121.76 122.37 3f93 s ALA 545 Ca -0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 3f93 s ALA 545 Cb 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3f93 s ALA 545 CO 0.84 0.33 0.08 0.12 0.00 0.00 0.00 175.76 177.13 3f93 s PHE 546 N -0.72 -0.01 -0.14 0.00 5.36 0.27 0.00 117.98 122.74 3f93 s PHE 546 Ca 0.05 0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.38 3f93 s PHE 546 Cb -0.08 -0.37 0.01 0.00 -0.34 0.00 0.00 43.02 42.24 3f93 s PHE 546 CO 0.01 -0.19 -0.19 0.08 -1.46 0.00 0.00 175.22 173.46 3f93 s VAL 547 N 1.99 1.89 -0.61 3.12 1.01 0.41 -1.28 120.40 126.92 3f93 s VAL 547 Ca 0.02 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 3f93 s VAL 547 Cb -0.12 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.62 3f93 s VAL 547 CO -0.04 0.52 0.98 0.00 0.00 0.00 0.00 175.10 176.56 3f93 s ALA 548 N 0.97 3.10 -2.05 5.51 0.00 -0.46 0.70 121.76 129.53 3f93 s ALA 548 Ca -0.04 -1.50 0.26 0.00 0.00 0.00 0.00 51.96 50.67 3f93 s ALA 548 Cb -0.15 -3.84 0.65 0.00 0.00 0.00 0.00 23.12 19.78 3f93 s ALA 548 CO -0.04 -2.64 1.50 0.00 0.00 0.00 0.00 175.76 174.59 3f93 n ALA 549 N 7.76 3.01 -0.73 0.00 0.00 0.73 -2.17 120.51 129.11 3f93 n ALA 549 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3f93 n ALA 549 Cb 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.23 0.00 -3.72 0.00 7.02 -1.15 -3.65 117.44 115.71 3f93 n TRP 550 Ca 0.13 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 3f93 n TRP 550 Cb 0.39 0.04 -0.09 0.00 -2.42 0.00 0.00 31.31 29.22 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 5.25 0.00 -0.99 1.43 -1.18 -2.60 118.68 120.59 3f93 s LEU 551 Ca 0.00 -3.13 0.19 0.00 -1.03 0.00 0.00 54.13 50.16 3f93 s LEU 551 Cb 0.00 -1.85 0.84 0.00 0.03 0.00 0.00 46.19 45.21 3f93 s LEU 551 CO 0.00 -0.30 1.61 -0.81 0.23 0.00 0.00 176.35 177.08 3f93 n PRO 552 N 3.10 0.04 0.00 1.29 -0.04 -0.67 -0.75 135.00 137.97 3f93 n PRO 552 Ca 0.12 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3f93 n PRO 552 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3f93 n PRO 552 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f93 n GLY 553 N 0.45 -0.16 0.12 0.55 0.00 -0.76 -2.99 105.19 102.40 3f93 n GLY 553 Ca 0.05 -1.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 8.20 0.00 -1.76 1.61 4.64 -1.50 -3.40 113.55 121.34 3f93 h SER 554 Ca 0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 3f93 h SER 554 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 3f93 h SER 554 CO 0.00 0.64 1.69 -0.62 -0.87 0.00 0.00 176.83 177.67 3f93 n GLU 555 N -3.28 3.42 0.19 4.77 -0.58 -1.26 0.38 120.64 124.28 3f93 n GLU 555 Ca 0.01 -3.67 0.13 0.00 -0.42 0.00 0.00 57.16 53.22 3f93 n GLU 555 Cb 0.79 -3.05 0.67 0.00 -0.57 0.00 0.00 31.44 29.28 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 9.35 0.00 2.00 0.62 0.00 -1.08 -2.69 103.07 111.26 3f93 h GLY 556 Ca 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 3f93 h GLY 556 CO 1.40 0.00 -0.33 0.83 0.00 0.00 0.00 176.54 178.44 3f93 h GLU 557 N 0.00 0.00 -0.77 4.80 3.07 -1.79 -2.23 114.58 117.67 3f93 h GLU 557 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 3f93 h GLU 557 Cb 0.11 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 3f93 h GLU 557 CO 0.00 0.33 0.52 0.78 -1.40 0.00 0.00 179.01 179.24 3f93 h GLY 558 N 1.58 0.53 0.83 -3.84 0.00 -1.74 0.95 103.07 101.38 3f93 h GLY 558 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 3f93 h GLY 558 CO 0.04 0.03 -0.42 -2.08 0.00 0.00 0.00 176.54 174.11 3f93 h VAL 559 N 0.29 1.37 -0.98 4.60 2.07 -1.62 -3.03 116.25 118.95 3f93 h VAL 559 Ca 0.38 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 66.24 3f93 h VAL 559 Cb 1.07 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 32.93 3f93 h VAL 559 CO -0.10 0.52 0.63 0.00 0.02 0.00 0.00 177.57 178.64 3f93 h ALA 560 N 0.49 1.47 0.00 1.67 0.00 -1.22 -0.96 119.26 120.71 3f93 h ALA 560 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3f93 h ALA 560 Cb 1.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3f93 h ALA 560 CO 0.09 0.35 -0.05 -0.44 0.00 0.00 0.00 179.25 179.21 3f93 h ASP 561 N 1.08 0.00 0.02 0.00 3.32 -0.76 -0.97 116.42 119.11 3f93 h ASP 561 Ca 0.44 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.12 3f93 h ASP 561 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3f93 h ASP 561 CO -0.19 0.05 -2.07 0.52 -1.72 0.00 0.00 179.24 175.82 3f93 n VAL 562 N -4.21 1.56 0.08 -1.35 0.31 -0.87 -3.35 118.33 110.52 3f93 n VAL 562 Ca -0.03 -0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 3f93 n VAL 562 Cb 0.13 -1.83 0.21 0.00 -0.91 0.00 0.00 33.84 31.44 3f93 n VAL 562 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3f93 h LEU 563 N -0.68 0.28 -9.90 7.52 3.38 -1.08 -3.44 115.31 111.39 3f93 h LEU 563 Ca -0.54 -0.12 -0.60 0.00 0.09 0.00 0.00 57.88 56.71 3f93 h LEU 563 Cb 1.63 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 3f93 h LEU 563 CO -0.23 0.67 -0.40 -0.76 0.09 0.00 0.00 178.44 177.81 3f93 s LEU 564 N -8.27 4.32 0.89 1.67 1.02 -0.38 -0.13 118.68 117.81 3f93 s LEU 564 Ca -0.05 0.46 -0.12 0.00 0.02 0.00 0.00 54.13 54.44 3f93 s LEU 564 Cb 0.13 -3.04 0.13 0.00 0.02 0.00 0.00 46.19 43.43 3f93 s LEU 564 CO 0.78 0.14 1.14 0.42 0.02 0.00 0.00 176.35 178.85 3f93 s THR 565 N -1.53 2.03 0.81 5.49 -4.23 -0.55 -4.34 115.64 113.33 3f93 s THR 565 Ca 0.36 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 3f93 s THR 565 Cb -0.13 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.09 3f93 s THR 565 CO 0.24 -0.01 1.11 -0.46 -0.54 0.00 0.00 174.62 174.96 3f93 n ASN 566 N -3.67 0.22 -0.29 3.99 6.94 0.34 -4.16 115.26 118.63 3f93 n ASN 566 Ca 0.07 -1.48 0.16 0.00 -0.02 0.00 0.00 54.58 53.31 3f93 n ASN 566 Cb 0.60 -0.84 0.43 0.00 -2.36 0.00 0.00 39.78 37.61 3f93 n ASN 566 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 3f93 h LYS 567 N 0.00 0.55 0.00 -3.83 2.10 -1.90 -1.51 116.57 111.98 3f93 h LYS 567 Ca -0.36 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3f93 h LYS 567 Cb 1.02 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 3f93 h LYS 567 CO 0.27 0.37 0.00 1.04 -2.00 0.00 0.00 179.45 179.12 3f93 n GLN 568 N -4.61 0.01 -0.30 0.07 3.00 -1.26 -4.87 117.38 109.42 3f93 n GLN 568 Ca 0.21 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 3f93 n GLN 568 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.38 3f93 n GLN 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3f93 n GLY 569 N 0.96 0.73 3.88 1.08 0.00 -0.57 -5.08 105.19 106.19 3f93 n GLY 569 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3f93 n GLY 569 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f93 s LYS 570 N -0.70 3.78 0.18 1.61 2.47 -1.26 -4.77 119.74 121.04 3f93 s LYS 570 Ca 0.00 0.26 -0.33 0.00 -1.56 0.00 0.00 55.97 54.33 3f93 s LYS 570 Cb 0.00 -2.63 -0.14 0.00 -1.46 0.00 0.00 37.83 33.60 3f93 s LYS 570 CO 0.00 0.29 1.56 2.41 0.16 0.00 0.00 175.35 179.77 3f93 n THR 571 N -0.28 0.15 -0.10 3.43 -1.04 -1.26 -0.50 114.28 114.68 3f93 n THR 571 Ca 0.00 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.78 3f93 n THR 571 Cb 0.53 -1.56 -0.12 0.00 -1.82 0.00 0.00 70.33 67.35 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 3.22 0.67 -4.04 -2.82 10.64 -1.26 -4.83 117.38 118.97 3f93 n GLN 572 Ca 0.16 0.19 -0.14 0.00 -1.83 0.00 0.00 57.00 55.38 3f93 n GLN 572 Cb 0.30 -1.56 -0.14 0.00 -0.86 0.00 0.00 30.24 27.98 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 -2.52 0.30 0.49 2.61 0.08 -1.21 -5.07 117.98 112.65 3f93 s PHE 573 Ca -0.33 -0.11 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 3f93 s PHE 573 Cb 0.09 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.35 3f93 s PHE 573 CO 0.63 -0.02 0.74 0.34 -0.10 0.00 0.00 175.22 176.81 3f93 s ASP 574 N -0.24 5.79 0.32 1.36 -1.08 -1.26 -4.58 116.67 116.98 3f93 s ASP 574 Ca -0.00 0.45 -0.29 0.00 -0.52 0.00 0.00 52.55 52.19 3f93 s ASP 574 Cb -0.02 -1.63 -0.10 0.00 -1.46 0.00 0.00 42.92 39.71 3f93 s ASP 574 CO -0.00 -0.80 1.33 -0.36 0.52 0.00 0.00 175.17 175.86 3f93 s PHE 575 N -2.69 3.01 0.00 -5.34 0.40 -1.26 -4.91 117.98 107.18 3f93 s PHE 575 Ca 0.50 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 58.18 3f93 s PHE 575 Cb -0.10 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 39.71 3f93 s PHE 575 CO 0.40 -2.03 0.00 0.25 0.70 0.00 0.00 175.22 174.54 3f93 n THR 576 N 0.96 0.00 -1.62 0.64 -2.24 -1.26 -4.74 114.28 106.01 3f93 n THR 576 Ca 0.01 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.31 3f93 n THR 576 Cb 0.41 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 3f93 n THR 576 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f93 n GLY 577 N 1.04 0.50 3.20 3.38 0.00 -0.98 -4.90 105.19 107.44 3f93 n GLY 577 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 46.02 46.34 3f93 n GLY 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f93 s LYS 578 N -0.05 1.37 0.20 1.61 1.02 0.16 -4.55 119.74 119.51 3f93 s LYS 578 Ca 0.74 -0.79 -0.32 0.00 0.02 0.00 0.00 55.97 55.62 3f93 s LYS 578 Cb -0.78 -1.40 -0.13 0.00 -0.52 0.00 0.00 37.83 35.00 3f93 s LYS 578 CO 0.48 0.37 1.60 1.28 -0.92 0.00 0.00 175.35 178.16 3f93 n LEU 579 N 2.21 3.53 -0.35 3.17 4.32 0.64 -3.94 117.00 126.58 3f93 n LEU 579 Ca -0.16 1.09 0.04 0.00 -0.02 0.00 0.00 56.01 56.96 3f93 n LEU 579 Cb 0.54 -1.49 0.04 0.00 -1.62 0.00 0.00 43.42 40.89 3f93 n LEU 579 CO 0.23 -0.11 0.41 -1.54 -1.22 0.00 0.00 177.39 175.16 3f93 n SER 580 N 3.26 1.81 -3.86 -1.43 3.41 -1.26 -0.63 113.62 114.92 3f93 n SER 580 Ca 0.15 -1.43 -0.20 0.00 -0.26 0.00 0.00 58.87 57.13 3f93 n SER 580 Cb 0.32 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.72 0.64 0.28 7.33 0.08 -1.26 -2.33 117.98 122.00 3f93 s PHE 581 Ca 0.11 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.70 3f93 s PHE 581 Cb 0.07 -0.63 -0.12 0.00 -0.57 0.00 0.00 43.02 41.77 3f93 s PHE 581 CO 0.10 -0.20 1.57 0.43 -0.10 0.00 0.00 175.22 177.03 3f93 n SER 582 N 4.24 3.69 -4.76 1.36 7.64 -1.26 -4.69 113.62 119.84 3f93 n SER 582 Ca -0.22 1.14 -0.37 0.00 1.01 0.00 0.00 58.87 60.43 3f93 n SER 582 Cb 0.51 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 3f93 n SER 582 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3f93 s TRP 583 N 0.01 3.57 0.26 1.43 -0.11 0.30 -4.81 118.94 119.59 3f93 s TRP 583 Ca 0.65 0.84 -0.30 0.00 1.22 0.00 0.00 56.10 58.51 3f93 s TRP 583 Cb -0.52 -2.40 -0.09 0.00 -1.50 0.00 0.00 33.47 28.96 3f93 s TRP 583 CO 0.48 0.35 1.00 -1.25 -4.62 0.00 0.00 176.95 172.91 3f93 s PRO 584 N 0.01 4.77 -0.04 5.86 0.04 -1.26 -0.49 135.00 143.88 3f93 s PRO 584 Ca 0.22 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.91 3f93 s PRO 584 Cb -0.15 -3.23 -0.24 0.00 0.04 0.00 0.00 34.50 30.92 3f93 s PRO 584 CO 0.09 0.40 0.66 -0.22 0.04 0.00 0.00 177.00 177.98 3f93 h LYS 585 N 3.99 0.10 -6.22 4.56 3.64 -1.85 -3.39 116.57 117.40 3f93 h LYS 585 Ca -0.46 -0.18 -0.59 0.00 -1.27 0.00 0.00 60.65 58.15 3f93 h LYS 585 Cb 1.20 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 3f93 h LYS 585 CO 0.67 0.80 -0.72 0.71 -2.27 0.00 0.00 179.45 178.65 3f93 s TYR 586 N -2.60 2.45 -1.69 1.91 2.02 -1.26 -4.95 117.35 113.23 3f93 s TYR 586 Ca -0.09 -0.29 0.25 0.00 -0.37 0.00 0.00 57.07 56.57 3f93 s TYR 586 Cb 0.08 -1.08 1.37 0.00 -0.40 0.00 0.00 41.96 41.93 3f93 s TYR 586 CO 0.82 0.67 1.85 -0.40 -1.57 0.00 0.00 175.55 176.92 3f93 n ASP 587 N -0.69 0.00 -0.04 2.29 5.68 -1.26 -3.19 116.55 119.34 3f93 n ASP 587 Ca -0.06 -0.40 0.02 0.00 -0.50 0.00 0.00 54.79 53.85 3f93 n ASP 587 Cb 0.59 -0.15 0.03 0.00 -1.14 0.00 0.00 41.12 40.45 3f93 n ASP 587 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3f93 n ASP 588 N -1.15 1.80 -3.28 -1.12 5.68 -1.26 -3.70 116.55 113.52 3f93 n ASP 588 Ca 0.15 -2.16 -0.28 0.00 -0.50 0.00 0.00 54.79 52.00 3f93 n ASP 588 Cb 0.15 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 3f93 n ASP 588 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f93 n GLN 589 N -0.66 2.24 0.24 0.11 6.02 -1.19 -4.66 117.38 119.49 3f93 n GLN 589 Ca 0.04 -1.66 0.09 0.00 -0.01 0.00 0.00 57.00 55.46 3f93 n GLN 589 Cb 0.39 -2.60 0.61 0.00 1.02 0.00 0.00 30.24 29.65 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 6.36 0.00 -3.34 1.08 0.04 -1.90 -3.32 116.94 115.86 3f93 h PHE 590 Ca 0.54 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.67 3f93 h PHE 590 Cb 0.27 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.01 3f93 h PHE 590 CO 1.82 0.16 -0.65 0.95 -0.60 0.00 0.00 178.31 179.99 3f93 s THR 591 N -4.39 2.37 -0.31 -1.55 -4.23 -1.26 -3.25 115.64 103.02 3f93 s THR 591 Ca -0.03 -3.12 0.02 0.00 -1.18 0.00 0.00 61.69 57.38 3f93 s THR 591 Cb 0.14 -2.66 0.09 0.00 1.34 0.00 0.00 72.50 71.42 3f93 s THR 591 CO 0.64 -0.80 0.04 -0.22 -0.54 0.00 0.00 174.62 173.74 3f93 s LEU 592 N -0.10 3.81 0.01 4.79 2.96 -1.25 -5.10 118.68 123.80 3f93 s LEU 592 Ca 0.17 -1.86 0.01 0.00 -0.22 0.00 0.00 54.13 52.22 3f93 s LEU 592 Cb -0.25 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 3f93 s LEU 592 CO -0.01 -0.36 -0.03 0.20 -1.32 0.00 0.00 176.35 174.83 3f93 s ASN 593 N 1.15 0.38 0.17 3.68 0.01 -1.26 -4.33 114.94 114.74 3f93 s ASN 593 Ca 0.07 -0.16 -0.33 0.00 -0.71 0.00 0.00 52.86 51.74 3f93 s ASN 593 Cb -0.19 -0.01 -0.16 0.00 0.41 0.00 0.00 41.25 41.30 3f93 s ASN 593 CO -0.12 -0.03 1.14 -0.11 -1.51 0.00 0.00 177.10 176.47 3f93 n LEU 594 N 2.68 1.43 0.00 0.60 7.94 -1.26 -1.22 117.00 127.17 3f93 n LEU 594 Ca -0.15 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3f93 n LEU 594 Cb 0.58 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.33 3f93 n LEU 594 CO 0.24 -1.36 0.00 0.59 -1.11 0.00 0.00 177.39 175.75 3f93 n ASN 595 N 1.97 -1.16 -4.71 1.96 3.02 -1.26 -4.99 115.26 110.08 3f93 n ASN 595 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 3f93 n ASN 595 Cb 0.24 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.59 6.39 0.55 6.41 1.11 -0.36 -4.82 116.67 123.36 3f93 s ASP 596 Ca 0.00 2.84 0.42 0.00 0.18 0.00 0.00 52.55 55.99 3f93 s ASP 596 Cb 0.00 -2.59 1.63 0.00 1.07 0.00 0.00 42.92 43.02 3f93 s ASP 596 CO 0.00 -0.98 1.72 0.00 1.18 0.00 0.00 175.17 177.09 3f93 h ALA 597 N 7.16 3.41 -3.05 5.23 0.00 -1.94 -3.21 119.26 126.85 3f93 h ALA 597 Ca -0.44 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 3f93 h ALA 597 Cb 1.20 0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.71 3f93 h ALA 597 CO 0.96 -1.83 -0.76 0.34 0.00 0.00 0.00 179.25 177.95 3f93 s ASP 598 N -4.69 3.69 -0.27 0.00 -1.08 -1.26 -5.10 116.67 107.96 3f93 s ASP 598 Ca -0.05 -1.40 0.02 0.00 -0.52 0.00 0.00 52.55 50.60 3f93 s ASP 598 Cb 0.24 -0.65 0.07 0.00 -1.46 0.00 0.00 42.92 41.13 3f93 s ASP 598 CO 0.84 -0.41 -0.02 -0.47 0.52 0.00 0.00 175.17 175.63 3f93 s TYR 599 N 1.82 2.85 -0.49 -5.34 6.04 -1.22 -4.97 117.35 116.04 3f93 s TYR 599 Ca 0.08 -2.19 0.08 0.00 0.04 0.00 0.00 57.07 55.08 3f93 s TYR 599 Cb -0.17 -2.01 0.28 0.00 -1.04 0.00 0.00 41.96 39.02 3f93 s TYR 599 CO -0.27 -0.85 0.67 -3.47 -1.54 0.00 0.00 175.55 170.09 3f93 n ASP 600 N 4.53 1.88 -4.90 4.32 2.03 -1.26 -5.09 116.55 118.07 3f93 n ASP 600 Ca -0.07 -3.09 -0.28 0.00 0.52 0.00 0.00 54.79 51.87 3f93 n ASP 600 Cb 0.43 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.04 3.31 -0.01 -0.67 0.04 -1.26 -4.57 135.00 129.79 3f93 s PRO 601 Ca 0.39 0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.46 3f93 s PRO 601 Cb 0.20 -2.25 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 3f93 s PRO 601 CO -0.08 -0.50 1.28 1.25 0.04 0.00 0.00 177.00 178.99 3f93 h LEU 602 N -0.09 -0.09 -7.72 -3.56 5.85 -0.98 -3.44 115.31 105.28 3f93 h LEU 602 Ca -0.46 -0.36 -0.52 0.00 0.84 0.00 0.00 57.88 57.38 3f93 h LEU 602 Cb 1.22 0.02 -0.37 0.00 0.37 0.00 0.00 40.66 41.91 3f93 h LEU 602 CO 0.62 0.33 -0.80 -0.36 -0.34 0.00 0.00 178.44 177.88 3f93 s PHE 603 N -4.49 1.43 0.79 1.25 0.08 -1.19 -4.98 117.98 110.87 3f93 s PHE 603 Ca -0.15 -0.68 -0.11 0.00 0.12 0.00 0.00 56.93 56.11 3f93 s PHE 603 Cb 0.02 -1.19 0.06 0.00 -0.57 0.00 0.00 43.02 41.35 3f93 s PHE 603 CO 0.63 -0.48 1.09 0.00 -0.10 0.00 0.00 175.22 176.36 3f93 s ALA 604 N 1.60 2.18 0.27 5.36 0.00 -1.26 -0.54 121.76 129.37 3f93 s ALA 604 Ca 0.03 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 3f93 s ALA 604 Cb -0.13 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 3f93 s ALA 604 CO -0.07 -1.79 1.02 0.98 0.00 0.00 0.00 175.76 175.91 3f93 n TYR 605 N -3.52 1.25 -0.71 0.00 9.36 -1.26 -2.04 117.16 120.24 3f93 n TYR 605 Ca 0.08 0.70 0.00 0.00 3.32 0.00 0.00 57.90 62.00 3f93 n TYR 605 Cb 0.54 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 37.00 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 1.35 0.80 3.84 2.98 0.00 0.20 -4.96 105.19 109.40 3f93 n GLY 606 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.04 3.50 0.00 1.61 6.14 -0.87 -4.64 117.35 120.05 3f93 s TYR 607 Ca 0.00 1.22 0.00 0.00 0.64 0.00 0.00 57.07 58.93 3f93 s TYR 607 Cb 0.00 -2.52 0.00 0.00 0.42 0.00 0.00 41.96 39.86 3f93 s TYR 607 CO 0.00 0.24 0.00 0.41 0.64 0.00 0.00 175.55 176.84 3f93 n GLY 608 N 0.19 1.48 3.82 8.97 0.00 -1.26 -0.26 105.19 118.13 3f93 n GLY 608 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3f93 n GLY 608 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f93 s LEU 609 N 0.00 3.76 0.00 0.99 1.43 0.19 -4.89 118.68 120.15 3f93 s LEU 609 Ca 0.00 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 3f93 s LEU 609 Cb 0.00 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.68 3f93 s LEU 609 CO 0.00 -0.66 0.03 0.35 0.23 0.00 0.00 176.35 176.30 3f93 n THR 610 N -1.20 0.00 0.17 5.49 -2.24 -1.26 -4.06 114.28 111.17 3f93 n THR 610 Ca 0.08 -1.92 0.03 0.00 -2.27 0.00 0.00 64.05 59.97 3f93 n THR 610 Cb 0.53 0.45 0.25 0.00 -2.10 0.00 0.00 70.33 69.47 3f93 n THR 610 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3f93 h TYR 611 N 1.28 0.00 -0.02 4.78 0.99 -1.93 -2.92 116.97 119.14 3f93 h TYR 611 Ca -0.32 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.42 3f93 h TYR 611 Cb 1.01 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.74 3f93 h TYR 611 CO 0.00 0.47 0.02 1.96 -0.00 0.00 0.00 178.16 180.62 3f93 h GLN 612 N 0.00 0.00 -6.99 4.88 1.08 -1.97 -3.44 115.11 108.67 3f93 h GLN 612 Ca -0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.71 3f93 h GLN 612 Cb 1.02 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.48 3f93 h GLN 612 CO 0.06 0.00 0.42 -0.51 -0.95 0.00 0.00 178.83 177.85 3f93 s ASP 613 N -6.26 6.60 -0.49 1.46 1.01 -1.11 -5.00 116.67 112.88 3f93 s ASP 613 Ca -0.05 2.05 0.07 0.00 0.71 0.00 0.00 52.55 55.33 3f93 s ASP 613 Cb 0.15 -2.58 0.37 0.00 1.01 0.00 0.00 42.92 41.88 3f93 s ASP 613 CO 0.57 -0.61 0.96 0.59 0.21 0.00 0.00 175.17 176.89 3f93 n ASN 614 N -0.30 3.76 -4.20 0.27 3.02 -1.26 -4.95 115.26 111.59 3f93 n ASN 614 Ca 0.06 -3.52 -0.31 0.00 -0.03 0.00 0.00 54.58 50.78 3f93 n ASN 614 Cb 0.50 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 3f93 n ASN 614 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3f93 s ILE 615 N -4.36 1.99 -0.12 2.41 1.01 -1.26 -5.07 121.20 115.80 3f93 s ILE 615 Ca 0.46 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3f93 s ILE 615 Cb 0.34 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3f93 s ILE 615 CO -0.13 0.54 0.13 0.20 0.00 0.00 0.00 174.94 175.69 3f93 s ASN 616 N 0.37 6.32 -0.27 3.58 -0.87 -1.26 -4.54 114.94 118.27 3f93 s ASN 616 Ca -0.19 0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 51.42 3f93 s ASN 616 Cb -0.18 -2.04 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 3f93 s ASN 616 CO 0.08 0.41 0.31 -0.69 -2.57 0.00 0.00 177.10 174.64 3f93 s VAL 617 N -1.02 5.22 1.05 1.60 1.01 -1.26 -5.06 120.40 121.94 3f93 s VAL 617 Ca 0.15 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 3f93 s VAL 617 Cb -0.12 -3.64 0.22 0.00 0.00 0.00 0.00 36.38 32.84 3f93 s VAL 617 CO 0.04 0.20 1.07 -2.16 0.00 0.00 0.00 175.10 174.24 3f93 s PRO 618 N 1.91 0.04 0.12 2.72 0.04 -1.26 -4.94 135.00 133.63 3f93 s PRO 618 Ca 0.12 0.80 -0.33 0.00 0.04 0.00 0.00 61.00 61.64 3f93 s PRO 618 Cb -0.16 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.59 3f93 s PRO 618 CO 0.10 -3.07 1.73 0.28 0.04 0.00 0.00 177.00 176.07 3f93 n VAL 619 N -4.45 0.19 -3.07 -0.36 0.31 -1.26 -4.92 118.33 104.77 3f93 n VAL 619 Ca 0.05 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.15 3f93 n VAL 619 Cb 0.55 -1.84 0.01 0.00 -0.91 0.00 0.00 33.84 31.66 3f93 n VAL 619 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3f93 s LEU 620 N 1.96 3.67 0.25 7.52 1.02 -1.26 -5.08 118.68 126.76 3f93 s LEU 620 Ca 0.81 -0.15 -0.30 0.00 0.02 0.00 0.00 54.13 54.51 3f93 s LEU 620 Cb -0.59 -2.81 -0.09 0.00 0.02 0.00 0.00 46.19 42.71 3f93 s LEU 620 CO 0.39 -0.73 1.11 -0.55 0.02 0.00 0.00 176.35 176.59 3f93 s SER 621 N -4.29 7.24 0.00 2.29 0.15 -1.26 -4.93 113.70 112.90 3f93 s SER 621 Ca 0.51 2.23 0.14 0.00 0.70 0.00 0.00 55.95 59.54 3f93 s SER 621 Cb -0.10 -2.62 0.39 0.00 -1.71 0.00 0.00 66.02 61.98 3f93 s SER 621 CO 0.34 -0.19 1.32 -0.62 1.20 0.00 0.00 173.24 175.30 3f93 n GLU 622 N 1.59 2.77 -2.37 5.44 1.02 -1.26 -4.67 120.64 123.15 3f93 n GLU 622 Ca 0.00 -2.19 -0.41 0.00 -0.02 0.00 0.00 57.16 54.54 3f93 n GLU 622 Cb 0.45 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.01 4.51 0.08 3.49 2.47 -1.26 -4.97 119.74 123.05 3f93 s LYS 623 Ca 0.30 1.89 0.08 0.00 -1.56 0.00 0.00 55.97 56.68 3f93 s LYS 623 Cb 0.16 -3.22 -0.04 0.00 -1.46 0.00 0.00 37.83 33.27 3f93 s LYS 623 CO 0.21 -0.04 -0.17 0.95 0.16 0.00 0.00 175.35 176.45 3f93 s THR 624 N -0.34 2.89 0.45 3.43 -4.23 -1.26 -4.77 115.64 111.81 3f93 s THR 624 Ca 0.51 -1.31 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 3f93 s THR 624 Cb -0.33 -2.28 -0.10 0.00 1.34 0.00 0.00 72.50 71.13 3f93 s THR 624 CO 0.39 0.22 0.93 -0.94 -0.54 0.00 0.00 174.62 174.68 3f93 s SER 625 N -1.81 6.80 1.38 3.99 1.04 -1.26 -5.11 113.70 118.73 3f93 s SER 625 Ca 0.17 1.59 -0.20 0.00 0.48 0.00 0.00 55.95 57.98 3f93 s SER 625 Cb -0.11 -2.50 0.31 0.00 0.10 0.00 0.00 66.02 63.82 3f93 s SER 625 CO 0.08 -0.42 0.78 -0.81 0.98 0.00 0.00 173.24 173.85 3f93 n PRO 626 N -0.95 -4.15 0.00 4.02 -0.04 -1.26 -5.09 135.00 127.54 3f93 n PRO 626 Ca 0.06 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 3f93 n PRO 626 Cb 0.54 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3f93 n PRO 626 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3f93 n SER 634 N -5.25 0.00 -3.65 3.54 3.41 -1.26 -5.21 113.62 105.19 3f93 n SER 634 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.44 3f93 n SER 634 Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.79 0.86 0.23 7.33 5.65 -0.84 -4.99 115.29 121.75 3f93 s HIS 635 Ca 0.00 -1.04 -0.30 0.00 0.25 0.00 0.00 55.06 53.97 3f93 s HIS 635 Cb 0.00 -1.13 -0.09 0.00 -1.18 0.00 0.00 32.58 30.17 3f93 s HIS 635 CO 0.00 -0.75 1.36 -2.14 -0.65 0.00 0.00 174.74 172.57 3f93 s PRO 636 N 1.91 4.34 -0.16 2.88 0.02 -1.26 -1.73 135.00 140.99 3f93 s PRO 636 Ca 0.06 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.16 3f93 s PRO 636 Cb -0.17 -3.15 -0.07 0.00 0.02 0.00 0.00 34.50 31.14 3f93 s PRO 636 CO -0.23 -0.32 -0.22 1.28 -0.33 0.00 0.00 177.00 177.18 3f93 n LEU 637 N 2.35 1.23 -3.70 -5.54 4.77 0.19 -4.75 117.00 111.54 3f93 n LEU 637 Ca 0.06 0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 3f93 n LEU 637 Cb 0.42 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 3f93 n LEU 637 CO 0.59 0.29 -0.31 0.12 -1.33 0.00 0.00 177.39 176.74 3f93 s PHE 638 N -2.33 1.61 -0.35 -1.77 5.36 -0.20 -1.19 117.98 119.11 3f93 s PHE 638 Ca -0.23 -1.81 0.01 0.00 -0.96 0.00 0.00 56.93 53.94 3f93 s PHE 638 Cb 0.09 -1.64 0.11 0.00 -0.34 0.00 0.00 43.02 41.23 3f93 s PHE 638 CO 0.29 -0.85 0.11 0.08 -1.46 0.00 0.00 175.22 173.39 3f93 s VAL 639 N 1.37 1.41 0.00 3.12 1.01 -1.26 0.82 120.40 126.87 3f93 s VAL 639 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3f93 s VAL 639 Cb -0.19 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3f93 s VAL 639 CO -0.19 -0.70 0.00 0.54 0.00 0.00 0.00 175.10 174.75 3f93 n ARG 640 N 4.40 0.00 0.00 2.72 1.74 -1.25 -4.88 116.66 119.39 3f93 n ARG 640 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3f93 n ARG 640 Cb 0.40 -3.01 0.00 0.00 -1.02 0.00 0.00 32.46 28.83 3f93 n ARG 640 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3f93 n SER 641 N 0.00 0.00 -4.64 0.55 3.41 -1.26 -4.68 113.62 107.00 3f93 n SER 641 Ca 0.00 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.12 3f93 n SER 641 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3f93 n SER 641 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f93 n LEU 642 N 0.00 2.44 -4.66 1.04 4.77 -1.26 -4.56 117.00 114.76 3f93 n LEU 642 Ca 0.00 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 3f93 n LEU 642 Cb 0.00 -1.31 0.19 0.00 -2.33 0.00 0.00 43.42 39.97 3f93 n LEU 642 CO 0.00 -0.62 0.64 0.00 -1.33 0.00 0.00 177.39 176.08 3f93 s ALA 643 N 0.96 0.88 0.31 -1.18 0.00 -0.33 -4.90 121.76 117.51 3f93 s ALA 643 Ca 0.83 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.28 3f93 s ALA 643 Cb -0.82 -3.04 0.68 0.00 0.00 0.00 0.00 23.12 19.94 3f93 s ALA 643 CO 0.43 -3.03 1.84 0.87 0.00 0.00 0.00 175.76 175.88 3f93 h LYS 644 N -2.07 0.83 -0.55 0.00 1.79 -1.90 -1.52 116.57 113.14 3f93 h LYS 644 Ca -0.52 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 3f93 h LYS 644 Cb 1.32 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3f93 h LYS 644 CO 0.52 0.55 0.00 -1.71 -1.08 0.00 0.00 179.45 177.73 3f93 n ASN 645 N -4.62 3.96 -4.75 0.86 5.15 -1.26 -5.01 115.26 109.59 3f93 n ASN 645 Ca 0.19 -2.26 -0.36 0.00 -0.60 0.00 0.00 54.58 51.56 3f93 n ASN 645 Cb 0.43 -0.46 -0.08 0.00 -0.53 0.00 0.00 39.78 39.14 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 -1.48 3.13 0.12 1.20 -1.94 -0.57 0.11 119.30 119.86 3f93 s MET 646 Ca 0.42 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.12 3f93 s MET 646 Cb 0.25 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 3f93 s MET 646 CO 0.23 0.73 -0.11 -0.08 -0.01 0.00 0.00 175.02 175.78 3f93 s THR 647 N -0.95 1.11 0.37 2.05 -1.32 0.14 -4.73 115.64 112.32 3f93 s THR 647 Ca 0.14 -1.81 -0.14 0.00 -1.21 0.00 0.00 61.69 58.68 3f93 s THR 647 Cb -0.12 -1.57 -0.08 0.00 -1.51 0.00 0.00 72.50 69.22 3f93 s THR 647 CO 0.03 -0.59 0.79 0.26 -2.21 0.00 0.00 174.62 172.90 3f93 s TRP 648 N -2.69 3.41 -0.08 9.09 0.52 0.08 0.00 118.94 129.28 3f93 s TRP 648 Ca 0.10 1.21 0.00 0.00 0.02 0.00 0.00 56.10 57.44 3f93 s TRP 648 Cb -0.01 -2.55 0.02 0.00 -1.15 0.00 0.00 33.47 29.78 3f93 s TRP 648 CO 0.01 -0.03 -0.06 -0.65 0.02 0.00 0.00 176.95 176.24 3f93 s GLN 649 N -3.38 1.18 -0.25 4.98 -0.21 0.12 -0.10 119.66 122.00 3f93 s GLN 649 Ca 0.54 -0.17 -0.02 0.00 0.02 0.00 0.00 55.36 55.73 3f93 s GLN 649 Cb -0.10 -1.22 0.02 0.00 1.00 0.00 0.00 33.01 32.71 3f93 s GLN 649 CO 0.23 -0.16 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.69 3f93 s LEU 650 N 1.32 3.25 -0.22 2.90 1.43 -0.18 -0.95 118.68 126.24 3f93 s LEU 650 Ca -0.04 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 3f93 s LEU 650 Cb -0.14 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3f93 s LEU 650 CO -0.03 -0.13 -0.14 0.00 0.23 0.00 0.00 176.35 176.28 3f93 s ALA 651 N 1.36 2.36 0.60 4.21 0.00 -0.65 -0.48 121.76 129.17 3f93 s ALA 651 Ca 0.01 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.59 3f93 s ALA 651 Cb -0.17 -1.37 0.09 0.00 0.00 0.00 0.00 23.12 21.67 3f93 s ALA 651 CO -0.04 -0.80 0.83 0.16 0.00 0.00 0.00 175.76 175.91 3f93 s ASP 652 N 1.23 4.94 0.21 0.00 1.47 -1.26 -0.08 116.67 123.18 3f93 s ASP 652 Ca -0.02 -0.63 0.13 0.00 1.18 0.00 0.00 52.55 53.21 3f93 s ASP 652 Cb -0.17 0.06 -0.03 0.00 -0.34 0.00 0.00 42.92 42.45 3f93 s ASP 652 CO -0.09 -1.43 1.30 0.71 0.68 0.00 0.00 175.17 176.35 3f93 h THR 653 N 0.01 1.01 0.00 2.11 1.35 -1.97 -3.40 112.91 112.02 3f93 h THR 653 Ca -0.33 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 3f93 h THR 653 Cb 1.28 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3f93 h THR 653 CO 0.41 0.58 -0.05 0.28 -0.25 0.00 0.00 175.52 176.49 3f93 h SER 654 N 0.00 0.00 -1.40 5.36 0.02 -1.96 -3.49 113.55 112.08 3f93 h SER 654 Ca -0.03 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.46 3f93 h SER 654 Cb 1.52 0.00 0.04 0.00 0.14 0.00 0.00 62.40 64.09 3f93 h SER 654 CO 0.08 0.34 -0.11 0.42 -1.14 0.00 0.00 176.83 176.42 3f93 s THR 655 N -1.42 2.48 0.56 -2.27 -4.23 -1.26 -5.09 115.64 104.41 3f93 s THR 655 Ca -0.01 -0.90 -0.19 0.00 -1.18 0.00 0.00 61.69 59.40 3f93 s THR 655 Cb 0.00 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.21 3f93 s THR 655 CO 0.02 0.00 1.15 -1.10 -0.54 0.00 0.00 174.62 174.15 3f93 s GLN 656 N -4.65 3.25 0.43 3.99 -0.21 -1.26 -4.45 119.66 116.76 3f93 s GLN 656 Ca 0.60 1.67 -0.25 0.00 0.02 0.00 0.00 55.36 57.40 3f93 s GLN 656 Cb -0.08 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 31.86 3f93 s GLN 656 CO 0.38 -0.94 1.25 0.36 -2.12 0.00 0.00 175.29 174.22 3f93 n LYS 657 N -1.38 1.86 -3.73 2.91 2.85 -1.26 -4.22 118.16 115.19 3f93 n LYS 657 Ca 0.12 0.66 -0.37 0.00 -1.05 0.00 0.00 58.31 57.68 3f93 n LYS 657 Cb 0.51 -2.37 -0.12 0.00 -0.65 0.00 0.00 35.03 32.40 3f93 n LYS 657 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3f93 s VAL 658 N -1.22 4.65 -0.16 0.58 1.01 0.37 -4.93 120.40 120.70 3f93 s VAL 658 Ca 0.62 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 3f93 s VAL 658 Cb -0.50 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3f93 s VAL 658 CO 0.57 0.32 0.85 -0.76 0.00 0.00 0.00 175.10 176.09 3f93 s LEU 659 N 1.55 4.18 -0.10 3.92 1.02 -1.26 -1.01 118.68 126.98 3f93 s LEU 659 Ca 0.06 1.21 0.04 0.00 0.02 0.00 0.00 54.13 55.47 3f93 s LEU 659 Cb -0.15 -3.27 0.00 0.00 0.02 0.00 0.00 46.19 42.79 3f93 s LEU 659 CO 0.06 -0.41 -0.23 0.00 0.02 0.00 0.00 176.35 175.78 3f93 s ALA 660 N 2.15 2.14 0.00 4.21 0.00 0.86 -4.98 121.76 126.14 3f93 s ALA 660 Ca 0.39 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3f93 s ALA 660 Cb -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3f93 s ALA 660 CO 0.13 0.27 0.68 -1.13 0.00 0.00 0.00 175.76 175.71 3f93 n SER 661 N 3.56 1.36 -0.87 0.00 3.41 -1.26 -0.74 113.62 119.08 3f93 n SER 661 Ca -0.19 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 3f93 n SER 661 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.18 2.93 0.15 5.00 0.00 -1.26 -4.91 105.19 106.92 3f93 n GLY 662 Ca 0.00 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.04 0.72 -2.59 4.61 0.00 -1.97 -3.47 119.26 116.54 3f93 h ALA 663 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3f93 h ALA 663 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 3f93 h ALA 663 CO 0.00 0.00 -0.59 -1.54 0.00 0.00 0.00 179.25 177.12 3f93 s SER 664 N -5.48 0.26 0.12 0.00 1.04 -1.26 -2.76 113.70 105.61 3f93 s SER 664 Ca 0.04 -0.64 -0.26 0.00 0.48 0.00 0.00 55.95 55.57 3f93 s SER 664 Cb 0.08 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.48 3f93 s SER 664 CO 0.73 -0.49 1.00 0.00 0.98 0.00 0.00 173.24 175.46 3f93 s ALA 665 N -2.72 -1.75 0.12 5.32 0.00 -0.61 -4.95 121.76 117.17 3f93 s ALA 665 Ca -0.04 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.25 3f93 s ALA 665 Cb -0.01 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 3f93 s ALA 665 CO -0.05 -1.02 -0.14 0.95 0.00 0.00 0.00 175.76 175.50 3f93 s THR 666 N -3.14 1.32 0.86 0.00 -4.23 -1.26 0.20 115.64 109.38 3f93 s THR 666 Ca 0.12 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 3f93 s THR 666 Cb -0.00 -1.51 0.11 0.00 1.34 0.00 0.00 72.50 72.44 3f93 s THR 666 CO 0.01 -0.40 1.11 -0.94 -0.54 0.00 0.00 174.62 173.85 3f93 s SER 667 N -2.40 3.64 0.50 3.99 1.04 0.97 -4.79 113.70 116.64 3f93 s SER 667 Ca 0.08 1.89 0.31 0.00 0.48 0.00 0.00 55.95 58.72 3f93 s SER 667 Cb -0.05 -2.48 1.41 0.00 0.10 0.00 0.00 66.02 65.00 3f93 s SER 667 CO 0.03 -2.60 1.79 1.23 0.98 0.00 0.00 173.24 174.67 3f93 h GLY 668 N -1.52 0.42 -0.17 7.32 0.00 -1.79 0.11 103.07 107.44 3f93 h GLY 668 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3f93 h GLY 668 CO 0.48 -0.06 -0.03 2.09 0.00 0.00 0.00 176.54 179.03 3f93 n ASP 669 N -4.34 1.23 -1.19 0.19 5.68 -1.26 -4.94 116.55 111.93 3f93 n ASP 669 Ca 0.26 -1.35 -0.15 0.00 -0.50 0.00 0.00 54.79 53.04 3f93 n ASP 669 Cb 1.14 0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 41.06 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 -0.08 -1.48 0.00 0.11 5.02 0.38 -4.72 118.16 117.38 3f93 n LYS 670 Ca 0.19 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 3f93 n LYS 670 Cb 0.32 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 3f93 n LYS 670 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3f93 n GLN 671 N -1.75 0.00 -0.02 1.97 6.02 -1.26 -4.96 117.38 117.39 3f93 n GLN 671 Ca -0.15 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.67 3f93 n GLN 671 Cb 0.61 -0.67 -0.09 0.00 1.02 0.00 0.00 30.24 31.11 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 0.68 -3.46 1.08 0.02 -1.89 -3.40 113.55 106.57 3f93 h SER 672 Ca 0.00 -0.66 -0.34 0.00 -0.84 0.00 0.00 61.79 59.95 3f93 h SER 672 Cb 0.48 -0.20 -0.35 0.00 0.14 0.00 0.00 62.40 62.47 3f93 h SER 672 CO 0.00 1.23 -0.74 -0.22 -1.14 0.00 0.00 176.83 175.96 3f93 s LEU 673 N -8.50 0.95 -0.02 5.07 2.96 -1.26 -0.77 118.68 117.11 3f93 s LEU 673 Ca -0.12 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3f93 s LEU 673 Cb 0.06 -0.18 0.00 0.00 0.50 0.00 0.00 46.19 46.57 3f93 s LEU 673 CO 0.84 -0.14 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.89 3f93 s LEU 674 N 1.27 1.82 -0.06 -0.68 1.43 -0.93 -0.02 118.68 121.52 3f93 s LEU 674 Ca -0.06 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3f93 s LEU 674 Cb -0.13 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 3f93 s LEU 674 CO -0.02 0.07 -0.21 -0.32 0.23 0.00 0.00 176.35 176.10 3f93 s MET 675 N 0.13 2.57 0.23 1.70 -2.45 0.13 -1.77 119.30 119.84 3f93 s MET 675 Ca -0.02 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 3f93 s MET 675 Cb -0.08 -2.26 -0.04 0.00 1.25 0.00 0.00 34.83 33.70 3f93 s MET 675 CO 0.00 0.46 0.13 -0.65 1.05 0.00 0.00 175.02 176.01 3f93 s GLN 676 N -0.33 1.33 0.04 4.11 -1.52 -0.57 -1.57 119.66 121.15 3f93 s GLN 676 Ca 0.02 -1.72 -0.14 0.00 -1.95 0.00 0.00 55.36 51.57 3f93 s GLN 676 Cb -0.13 0.07 -0.06 0.00 -0.22 0.00 0.00 33.01 32.67 3f93 s GLN 676 CO 0.02 -0.38 0.44 -1.54 -0.25 0.00 0.00 175.29 173.58 3f93 s SER 677 N -3.24 6.80 0.37 5.90 1.04 -1.11 -0.21 113.70 123.25 3f93 s SER 677 Ca 0.38 0.97 0.08 0.00 0.48 0.00 0.00 55.95 57.87 3f93 s SER 677 Cb 0.07 -2.25 -0.06 0.00 0.10 0.00 0.00 66.02 63.88 3f93 s SER 677 CO 0.14 0.27 0.01 0.68 0.98 0.00 0.00 173.24 175.31 3f93 s VAL 678 N -1.19 2.31 -0.32 5.02 -7.23 -0.78 -4.71 120.40 113.50 3f93 s VAL 678 Ca 0.28 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 3f93 s VAL 678 Cb -0.16 -2.84 0.07 0.00 0.56 0.00 0.00 36.38 34.01 3f93 s VAL 678 CO 0.15 -0.12 0.03 0.20 -0.31 0.00 0.00 175.10 175.05 3f93 s ASN 679 N -3.72 4.85 -0.11 4.85 0.01 -1.26 -1.71 114.94 117.85 3f93 s ASN 679 Ca 0.35 -1.63 -0.27 0.00 -0.71 0.00 0.00 52.86 50.61 3f93 s ASN 679 Cb 0.04 -1.68 -0.23 0.00 0.41 0.00 0.00 41.25 39.78 3f93 s ASN 679 CO 0.19 -0.33 0.85 0.25 -1.51 0.00 0.00 177.10 176.55 3f93 h LEU 680 N 7.88 -0.01 0.00 0.60 7.12 -1.94 -3.44 115.31 125.52 3f93 h LEU 680 Ca -0.16 -0.81 0.00 0.00 0.13 0.00 0.00 57.88 57.04 3f93 h LEU 680 Cb 1.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 3f93 h LEU 680 CO 0.55 0.83 0.00 -0.24 -0.13 0.00 0.00 178.44 179.45 3f93 n SER 681 N -4.69 -0.87 -4.81 1.25 2.88 -1.26 -4.98 113.62 101.15 3f93 n SER 681 Ca -0.09 0.50 -0.29 0.00 -1.33 0.00 0.00 58.87 57.66 3f93 n SER 681 Cb 0.40 0.99 0.12 0.00 -0.75 0.00 0.00 64.21 64.96 3f93 n SER 681 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3f93 s TYR 682 N -1.84 2.64 0.07 0.66 2.02 -1.26 -4.93 117.35 114.71 3f93 s TYR 682 Ca 0.00 0.88 -0.31 0.00 -0.37 0.00 0.00 57.07 57.27 3f93 s TYR 682 Cb 0.00 -3.36 -0.06 0.00 -0.40 0.00 0.00 41.96 38.13 3f93 s TYR 682 CO 0.00 -2.18 1.26 -0.65 -1.57 0.00 0.00 175.55 172.41 3f93 s GLN 683 N -5.31 4.40 -1.43 -0.62 -1.52 -1.26 -3.95 119.66 109.97 3f93 s GLN 683 Ca 0.63 1.86 -0.04 0.00 -1.95 0.00 0.00 55.36 55.87 3f93 s GLN 683 Cb -0.14 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.33 3f93 s GLN 683 CO 0.53 -0.32 0.47 0.39 -0.25 0.00 0.00 175.29 176.11 3f93 n GLU 684 N 3.97 -4.02 0.00 2.91 1.02 -1.24 -4.90 120.64 118.37 3f93 n GLU 684 Ca 0.10 0.83 0.13 0.00 -0.02 0.00 0.00 57.16 58.20 3f93 n GLU 684 Cb 0.45 -5.48 0.33 0.00 -0.02 0.00 0.00 31.44 26.72 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 -2.00 1.17 -4.50 1.62 5.75 -1.14 -4.85 116.55 112.59 3f93 n ASP 685 Ca -0.12 -0.99 -0.27 0.00 -0.01 0.00 0.00 54.79 53.40 3f93 n ASP 685 Cb 0.62 0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.79 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 -2.49 2.52 -0.04 6.12 0.00 -0.69 -3.92 107.32 108.81 3f93 s GLY 686 Ca 0.24 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.40 3f93 s GLY 686 CO 0.52 -1.98 -0.10 0.50 0.00 0.00 0.00 173.10 172.04 3f93 s ARG 687 N -3.80 1.22 0.09 2.90 1.81 0.29 -1.87 118.95 119.59 3f93 s ARG 687 Ca 0.27 -0.33 -0.03 0.00 -1.72 0.00 0.00 55.73 53.91 3f93 s ARG 687 Cb 0.06 -1.09 -0.05 0.00 -0.45 0.00 0.00 34.95 33.43 3f93 s ARG 687 CO 0.13 0.07 0.30 0.20 -0.68 0.00 0.00 175.30 175.32 3f93 s GLY 688 N 0.44 2.22 0.00 -3.53 0.00 0.70 -0.24 107.32 106.92 3f93 s GLY 688 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3f93 s GLY 688 CO 0.02 -0.58 -0.02 -1.36 0.00 0.00 0.00 173.10 171.15 3f93 s PHE 689 N -1.55 0.17 -0.14 1.90 0.08 -0.41 -1.51 117.98 116.52 3f93 s PHE 689 Ca 0.37 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 3f93 s PHE 689 Cb -0.13 -0.11 0.04 0.00 -0.57 0.00 0.00 43.02 42.25 3f93 s PHE 689 CO 0.24 -0.02 -0.06 -0.80 -0.10 0.00 0.00 175.22 174.48 3f93 s ASN 690 N -0.21 2.55 -0.10 1.36 0.02 -0.73 -1.91 114.94 115.91 3f93 s ASN 690 Ca -0.01 -0.51 -0.13 0.00 -1.02 0.00 0.00 52.86 51.18 3f93 s ASN 690 Cb -0.02 -0.87 -0.05 0.00 0.02 0.00 0.00 41.25 40.34 3f93 s ASN 690 CO -0.00 -0.16 0.32 0.26 0.02 0.00 0.00 177.10 177.54 3f93 s TRP 691 N 1.68 3.57 0.00 2.20 0.51 0.15 -2.18 118.94 124.87 3f93 s TRP 691 Ca 0.02 0.73 0.00 0.00 -2.12 0.00 0.00 56.10 54.74 3f93 s TRP 691 Cb -0.14 -2.28 0.00 0.00 -0.81 0.00 0.00 33.47 30.23 3f93 s TRP 691 CO -0.08 0.43 0.17 0.54 -0.51 0.00 0.00 176.95 177.50 3f93 n ARG 692 N 2.81 0.74 -3.80 4.98 1.74 0.05 -2.49 116.66 120.69 3f93 n ARG 692 Ca -0.13 -0.17 -0.06 0.00 -0.77 0.00 0.00 57.85 56.71 3f93 n ARG 692 Cb 0.52 -0.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.15 -1.39 -0.13 7.54 0.00 0.10 -4.85 121.76 122.88 3f93 s ALA 693 Ca 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 51.96 51.51 3f93 s ALA 693 Cb 0.00 0.78 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 3f93 s ALA 693 CO 0.00 -1.02 1.92 0.94 0.00 0.00 0.00 175.76 177.60 3f93 n GLN 694 N -0.45 2.03 -3.67 0.00 -0.06 -1.25 -4.45 117.38 109.52 3f93 n GLN 694 Ca -0.05 0.73 -0.11 0.00 -2.00 0.00 0.00 57.00 55.57 3f93 n GLN 694 Cb 0.60 -2.63 -0.05 0.00 -4.06 0.00 0.00 30.24 24.09 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 4.52 -0.86 -0.12 1.69 0.00 -0.74 -3.73 121.76 122.53 3f93 s ALA 695 Ca 0.95 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3f93 s ALA 695 Cb -0.71 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3f93 s ALA 695 CO 0.52 -0.58 -0.20 0.00 0.00 0.00 0.00 175.76 175.50 3f93 s ALA 696 N -3.46 2.03 -0.13 0.00 0.00 0.89 -2.44 121.76 118.65 3f93 s ALA 696 Ca 0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 3f93 s ALA 696 Cb 0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 3f93 s ALA 696 CO -0.09 0.06 0.25 -1.17 0.00 0.00 0.00 175.76 174.80 3f93 s LEU 697 N 0.71 4.31 -0.04 0.00 2.96 0.15 -1.63 118.68 125.15 3f93 s LEU 697 Ca -0.11 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3f93 s LEU 697 Cb -0.16 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.24 3f93 s LEU 697 CO 0.02 0.23 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.72 3f93 s SER 698 N -0.18 1.56 -0.30 3.68 0.01 -0.12 -0.28 113.70 118.06 3f93 s SER 698 Ca 0.16 -0.25 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 3f93 s SER 698 Cb -0.13 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3f93 s SER 698 CO 0.05 0.08 0.39 -0.22 0.41 0.00 0.00 173.24 173.95 3f93 s LEU 699 N 0.23 4.21 0.05 2.44 2.96 -0.54 0.13 118.68 128.15 3f93 s LEU 699 Ca -0.05 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3f93 s LEU 699 Cb -0.11 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 3f93 s LEU 699 CO 0.01 -0.28 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.20 3f93 s SER 700 N 1.69 1.47 0.17 3.68 0.01 0.10 -0.33 113.70 120.49 3f93 s SER 700 Ca 0.14 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 3f93 s SER 700 Cb -0.16 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 3f93 s SER 700 CO 0.11 -0.03 1.25 -0.31 0.41 0.00 0.00 173.24 174.67 3f93 s TYR 701 N -1.00 3.35 0.19 2.43 2.02 -0.17 0.25 117.35 124.42 3f93 s TYR 701 Ca -0.01 1.31 -0.12 0.00 -0.37 0.00 0.00 57.07 57.88 3f93 s TYR 701 Cb -0.08 -3.51 0.12 0.00 -0.40 0.00 0.00 41.96 38.09 3f93 s TYR 701 CO 0.01 -1.53 1.86 -0.07 -1.57 0.00 0.00 175.55 174.25 3f93 h LEU 702 N 5.54 0.76 -8.43 -1.29 3.38 0.40 -3.37 115.31 112.30 3f93 h LEU 702 Ca -0.44 -0.02 -0.67 0.00 0.09 0.00 0.00 57.88 56.84 3f93 h LEU 702 Cb 1.21 -0.19 -0.30 0.00 0.09 0.00 0.00 40.66 41.47 3f93 h LEU 702 CO 0.77 0.55 -0.81 -1.83 0.09 0.00 0.00 178.44 177.21 3f93 s GLU 703 N -6.14 3.23 -0.21 1.13 -1.05 -1.26 -5.08 118.70 109.31 3f93 s GLU 703 Ca -0.13 -0.76 -0.28 0.00 -0.15 0.00 0.00 54.97 53.65 3f93 s GLU 703 Cb 0.14 -2.56 -0.05 0.00 -0.44 0.00 0.00 34.13 31.22 3f93 s GLU 703 CO 0.76 0.10 2.13 -1.25 0.95 0.00 0.00 175.26 177.95 3f93 s PRO 704 N 0.60 3.26 0.01 -4.83 0.04 -1.26 -4.97 135.00 127.85 3f93 s PRO 704 Ca -0.09 1.99 0.03 0.00 0.04 0.00 0.00 61.00 62.96 3f93 s PRO 704 Cb -0.16 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 3f93 s PRO 704 CO 0.03 -1.96 -0.04 0.99 0.04 0.00 0.00 177.00 176.07 3f93 s THR 705 N 7.72 3.86 0.73 1.26 2.01 -1.06 -4.65 115.64 125.50 3f93 s THR 705 Ca 0.96 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 3f93 s THR 705 Cb -0.32 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 69.52 3f93 s THR 705 CO 0.35 0.37 1.13 -2.84 -0.69 0.00 0.00 174.62 172.94 3f93 s PRO 706 N -1.53 2.35 0.40 4.92 0.02 -1.26 -1.44 135.00 138.45 3f93 s PRO 706 Ca 0.19 1.42 -0.24 0.00 0.02 0.00 0.00 61.00 62.38 3f93 s PRO 706 Cb -0.11 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 3f93 s PRO 706 CO 0.09 -1.61 1.07 -1.17 -0.33 0.00 0.00 177.00 175.05 3f93 s LEU 707 N -5.38 4.15 0.38 -5.54 2.96 -1.26 -4.84 118.68 109.16 3f93 s LEU 707 Ca 0.67 2.09 -0.27 0.00 -0.22 0.00 0.00 54.13 56.39 3f93 s LEU 707 Cb -0.21 -4.15 -0.10 0.00 0.50 0.00 0.00 46.19 42.22 3f93 s LEU 707 CO 0.48 -0.52 1.40 -1.81 -1.32 0.00 0.00 176.35 174.57 3f93 s ASP 708 N -1.49 6.37 0.00 3.68 1.01 -1.26 -4.87 116.67 120.11 3f93 s ASP 708 Ca 0.57 2.86 0.17 0.00 0.71 0.00 0.00 52.55 56.87 3f93 s ASP 708 Cb -0.23 -2.66 1.03 0.00 1.01 0.00 0.00 42.92 42.07 3f93 s ASP 708 CO 0.29 -0.83 1.45 -1.54 0.21 0.00 0.00 175.17 174.75 3f93 n SER 709 N 0.37 0.00 -0.07 0.27 3.41 -1.26 -1.47 113.62 114.87 3f93 n SER 709 Ca 0.02 -0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 57.83 3f93 n SER 709 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.81 -0.63 4.33 3.64 -2.03 -3.29 116.57 119.40 3f93 h LYS 710 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3f93 h LYS 710 Cb 0.00 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3f93 h LYS 710 CO 0.00 1.12 0.00 1.19 -2.27 0.00 0.00 179.45 179.49 3f93 n PHE 711 N -4.01 1.45 0.04 1.91 3.72 -0.54 -4.48 117.46 115.54 3f93 n PHE 711 Ca -0.03 -0.62 -0.03 0.00 -0.05 0.00 0.00 57.45 56.72 3f93 n PHE 711 Cb 0.60 -0.24 0.20 0.00 -0.94 0.00 0.00 39.48 39.10 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 3.99 0.42 -0.72 4.37 4.64 -1.63 -1.51 113.55 123.11 3f93 h SER 712 Ca 0.00 -0.15 -0.34 0.00 -0.47 0.00 0.00 61.79 60.82 3f93 h SER 712 Cb 1.44 -0.12 -0.20 0.00 -0.31 0.00 0.00 62.40 63.21 3f93 h SER 712 CO 0.22 0.72 0.33 0.35 -0.87 0.00 0.00 176.83 177.58 3f93 n THR 713 N -4.09 2.92 -2.78 2.95 -2.24 -1.26 -4.14 114.28 105.64 3f93 n THR 713 Ca -0.01 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 3f93 n THR 713 Cb 0.44 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.98 7.05 3.19 3.38 0.00 -0.57 -4.91 105.19 112.35 3f93 n GLY 714 Ca 0.47 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 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 1.05 1.44 -0.19 1.61 2.02 0.78 -0.65 117.35 123.42 3f93 s TYR 715 Ca 0.00 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.18 3f93 s TYR 715 Cb 0.00 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 3f93 s TYR 715 CO 0.00 0.07 0.33 -1.17 -1.57 0.00 0.00 175.55 173.22 3f93 s LEU 716 N -1.30 4.18 0.06 -1.29 2.96 -0.40 -0.59 118.68 122.31 3f93 s LEU 716 Ca 0.03 0.46 0.10 0.00 -0.22 0.00 0.00 54.13 54.50 3f93 s LEU 716 Cb -0.09 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 3f93 s LEU 716 CO 0.02 -0.00 -0.26 -0.70 -1.32 0.00 0.00 176.35 174.08 3f93 s GLU 717 N 1.01 1.70 0.06 1.98 2.12 0.66 -0.28 118.70 125.94 3f93 s GLU 717 Ca 0.17 -1.15 -0.26 0.00 0.36 0.00 0.00 54.97 54.08 3f93 s GLU 717 Cb -0.14 -1.94 0.08 0.00 0.26 0.00 0.00 34.13 32.40 3f93 s GLU 717 CO 0.06 0.49 0.73 -0.48 -0.54 0.00 0.00 175.26 175.52 3f93 s LEU 718 N -1.40 -0.51 -0.05 2.70 2.34 -0.59 -1.18 118.68 119.99 3f93 s LEU 718 Ca 0.12 0.14 -0.04 0.00 0.06 0.00 0.00 54.13 54.41 3f93 s LEU 718 Cb -0.10 2.37 -0.04 0.00 -0.56 0.00 0.00 46.19 47.86 3f93 s LEU 718 CO 0.03 -0.77 0.14 -0.54 -1.06 0.00 0.00 176.35 174.15 3f93 s LYS 719 N -2.99 3.35 -0.11 1.48 1.02 0.11 0.60 119.74 123.19 3f93 s LYS 719 Ca 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 55.97 55.62 3f93 s LYS 719 Cb -0.01 -3.07 0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3f93 s LYS 719 CO -0.07 0.71 0.28 1.41 -0.92 0.00 0.00 175.35 176.76 3f93 s MET 720 N -1.54 0.28 -0.06 1.68 1.75 -0.43 -1.76 119.30 119.23 3f93 s MET 720 Ca 0.22 0.50 0.06 0.00 -1.25 0.00 0.00 55.69 55.22 3f93 s MET 720 Cb -0.12 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.55 3f93 s MET 720 CO 0.12 -0.11 -0.24 0.50 -0.65 0.00 0.00 175.02 174.64 3f93 s ARG 721 N 0.78 2.48 -0.38 4.11 3.52 -0.80 -1.33 118.95 127.33 3f93 s ARG 721 Ca -0.05 -0.88 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 3f93 s ARG 721 Cb -0.06 -2.10 0.08 0.00 -1.56 0.00 0.00 34.95 31.30 3f93 s ARG 721 CO -0.05 0.37 0.16 0.42 -0.81 0.00 0.00 175.30 175.39 3f93 s ILE 722 N -0.14 3.57 -0.00 4.11 1.01 -1.26 0.36 121.20 128.84 3f93 s ILE 722 Ca -0.04 -1.58 -0.20 0.00 0.00 0.00 0.00 60.65 58.83 3f93 s ILE 722 Cb -0.14 -3.22 -0.24 0.00 0.01 0.00 0.00 42.46 38.87 3f93 s ILE 722 CO 0.04 -0.44 1.08 0.44 0.00 0.00 0.00 174.94 176.06 3f93 h ASP 723 N 8.17 0.50 -3.30 3.58 3.32 -1.26 -3.38 116.42 124.05 3f93 h ASP 723 Ca -0.19 -0.78 -0.58 0.00 0.02 0.00 0.00 57.03 55.50 3f93 h ASP 723 Cb 1.07 -0.15 -0.37 0.00 0.22 0.00 0.00 39.33 40.09 3f93 h ASP 723 CO 0.67 1.22 -0.81 -0.75 -1.72 0.00 0.00 179.24 177.84 3f93 s LYS 724 N -3.14 1.82 0.19 3.56 2.20 -0.57 -4.98 119.74 118.83 3f93 s LYS 724 Ca -0.13 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.57 3f93 s LYS 724 Cb 0.03 -2.11 -0.09 0.00 -1.51 0.00 0.00 37.83 34.15 3f93 s LYS 724 CO 0.82 -0.37 1.42 0.00 -0.36 0.00 0.00 175.35 176.86 3f93 s ALA 725 N 1.53 3.62 -0.56 3.13 0.00 -1.26 -2.98 121.76 125.25 3f93 s ALA 725 Ca 0.01 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 3f93 s ALA 725 Cb -0.15 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3f93 s ALA 725 CO -0.09 -0.68 1.75 -1.25 0.00 0.00 0.00 175.76 175.50 3f93 s PRO 726 N 0.26 2.88 0.21 0.00 0.04 -1.26 -4.85 135.00 132.29 3f93 s PRO 726 Ca 0.62 0.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 3f93 s PRO 726 Cb -0.40 -4.30 0.30 0.00 0.04 0.00 0.00 34.50 30.13 3f93 s PRO 726 CO 0.37 -2.43 1.75 1.05 0.04 0.00 0.00 177.00 177.78 3f93 h GLU 727 N 13.73 0.44 -1.02 4.56 4.11 -1.91 -2.15 114.58 132.35 3f93 h GLU 727 Ca -0.27 -0.03 -0.53 0.00 0.07 0.00 0.00 59.36 58.60 3f93 h GLU 727 Cb 1.15 -0.10 -0.29 0.00 0.50 0.00 0.00 28.75 30.01 3f93 h GLU 727 CO 1.18 0.29 0.67 1.04 0.07 0.00 0.00 179.01 182.27 3f93 n GLN 728 N -4.97 2.28 0.00 1.06 6.02 -1.26 -5.03 117.38 115.49 3f93 n GLN 728 Ca 0.09 -2.89 0.00 0.00 -0.01 0.00 0.00 57.00 54.19 3f93 n GLN 728 Cb 0.28 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.40 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 -0.97 -2.69 3.09 1.08 0.00 -0.81 -4.79 105.19 100.10 3f93 n GLY 729 Ca 0.57 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.95 -0.15 -0.13 4.61 0.00 -1.26 -4.32 121.76 116.57 3f93 s ALA 730 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3f93 s ALA 730 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3f93 s ALA 730 CO 0.00 -0.25 -0.18 1.21 0.00 0.00 0.00 175.76 176.54 3f93 s ASN 731 N -1.74 3.59 -0.42 0.00 2.47 -0.66 -0.68 114.94 117.48 3f93 s ASN 731 Ca -0.10 -0.45 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 3f93 s ASN 731 Cb -0.05 -1.53 0.06 0.00 -1.45 0.00 0.00 41.25 38.28 3f93 s ASN 731 CO -0.02 0.14 0.30 -0.22 -3.72 0.00 0.00 177.10 173.58 3f93 s LEU 732 N 0.47 5.20 -0.11 3.21 2.96 0.30 -1.84 118.68 128.87 3f93 s LEU 732 Ca -0.12 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 52.42 3f93 s LEU 732 Cb -0.16 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 3f93 s LEU 732 CO 0.05 -0.53 0.26 -1.10 -1.32 0.00 0.00 176.35 173.72 3f93 s GLN 733 N 1.56 3.92 -0.11 1.98 -0.21 0.20 -0.28 119.66 126.72 3f93 s GLN 733 Ca 0.03 0.08 0.03 0.00 0.02 0.00 0.00 55.36 55.52 3f93 s GLN 733 Cb -0.22 -3.30 0.01 0.00 1.00 0.00 0.00 33.01 30.50 3f93 s GLN 733 CO 0.06 0.52 -0.19 0.08 -2.12 0.00 0.00 175.29 173.64 3f93 s VAL 734 N -0.38 1.71 -0.72 1.09 1.01 0.13 0.27 120.40 123.52 3f93 s VAL 734 Ca 0.17 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3f93 s VAL 734 Cb -0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3f93 s VAL 734 CO 0.06 0.48 0.64 0.23 0.00 0.00 0.00 175.10 176.51 3f93 n MET 735 N 3.94 -1.46 -3.41 2.72 2.81 -0.70 -1.47 117.12 119.54 3f93 n MET 735 Ca -0.20 0.88 -0.38 0.00 -1.81 0.00 0.00 57.70 56.19 3f93 n MET 735 Cb 0.52 -4.79 -0.06 0.00 -0.71 0.00 0.00 33.22 28.18 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 3.03 0.12 -0.24 0.00 3.41 -0.01 -0.85 113.62 119.07 3f93 n SER 737 Ca -0.10 -1.10 0.01 0.00 -0.26 0.00 0.00 58.87 57.42 3f93 n SER 737 Cb 0.52 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.50 3f93 n SER 737 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3f93 h GLU 738 N 0.00 -0.01 0.01 4.33 3.07 -1.97 -3.28 114.58 116.73 3f93 h GLU 738 Ca -0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3f93 h GLU 738 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3f93 h GLU 738 CO 0.03 -0.01 -0.01 0.66 -1.40 0.00 0.00 179.01 178.29 3f93 h SER 739 N -0.01 -0.02 0.00 1.42 4.64 -1.96 -3.50 113.55 114.12 3f93 h SER 739 Ca 0.34 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3f93 h SER 739 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3f93 h SER 739 CO -0.74 0.68 0.00 -3.20 -0.87 0.00 0.00 176.83 172.70 3f93 n ASN 740 N -4.76 0.00 -4.63 4.97 2.85 -1.24 -5.18 115.26 107.27 3f93 n ASN 740 Ca -0.09 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.04 3f93 n ASN 740 Cb 0.34 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.26 3f93 n ASN 740 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3f93 h LEU 742 N 6.21 0.00 -7.72 0.00 6.46 -1.19 -3.41 115.31 115.66 3f93 h LEU 742 Ca -0.40 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.11 3f93 h LEU 742 Cb 1.18 0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 40.82 3f93 h LEU 742 CO 0.64 0.13 -0.72 -0.13 -0.62 0.00 0.00 178.44 177.74 3f93 s ARG 743 N -3.56 0.03 -0.23 1.25 1.81 -0.54 -4.89 118.95 112.83 3f93 s ARG 743 Ca 0.02 0.01 -0.02 0.00 -1.72 0.00 0.00 55.73 54.02 3f93 s ARG 743 Cb 0.09 -0.06 0.07 0.00 -0.45 0.00 0.00 34.95 34.60 3f93 s ARG 743 CO 0.61 -0.01 0.05 0.34 -0.68 0.00 0.00 175.30 175.61 3f93 s ASP 744 N 0.13 3.27 -0.11 0.23 3.68 -1.26 -0.70 116.67 121.92 3f93 s ASP 744 Ca -0.01 -1.07 0.01 0.00 2.13 0.00 0.00 52.55 53.61 3f93 s ASP 744 Cb -0.02 -0.68 0.02 0.00 -1.45 0.00 0.00 42.92 40.79 3f93 s ASP 744 CO -0.00 -0.34 -0.11 -0.63 0.13 0.00 0.00 175.17 174.22 3f93 s ILE 745 N 1.79 1.23 0.05 4.11 1.01 0.61 -4.98 121.20 125.02 3f93 s ILE 745 Ca 0.02 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 3f93 s ILE 745 Cb -0.17 -1.18 -0.07 0.00 0.01 0.00 0.00 42.46 41.05 3f93 s ILE 745 CO -0.14 0.39 1.51 -1.81 0.00 0.00 0.00 174.94 174.90 3f93 s ASP 746 N 1.36 6.73 0.42 3.58 1.01 -1.26 0.11 116.67 128.62 3f93 s ASP 746 Ca -0.00 2.32 0.15 0.00 0.71 0.00 0.00 52.55 55.73 3f93 s ASP 746 Cb -0.14 -2.57 1.02 0.00 1.01 0.00 0.00 42.92 42.25 3f93 s ASP 746 CO -0.06 -0.78 1.91 -0.26 0.21 0.00 0.00 175.17 176.19 3f93 h PHE 747 N 7.81 0.53 0.00 4.23 -1.00 -1.26 -0.71 116.94 126.54 3f93 h PHE 747 Ca -0.41 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.39 3f93 h PHE 747 Cb 1.19 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.59 3f93 h PHE 747 CO 0.74 0.20 0.00 -1.13 -1.61 0.00 0.00 178.31 176.51 3f93 n SER 748 N -4.49 0.00 -0.46 2.17 3.41 -1.26 -1.60 113.62 111.39 3f93 n SER 748 Ca 0.15 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 3f93 n SER 748 Cb 0.53 -0.40 0.28 0.00 -0.26 0.00 0.00 64.21 64.36 3f93 n SER 748 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3f93 n SER 749 N -1.40 1.66 -0.09 4.04 3.41 -0.27 -4.18 113.62 116.79 3f93 n SER 749 Ca 0.04 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 3f93 n SER 749 Cb 0.13 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.03 0.00 -0.34 7.33 1.16 -0.89 -4.88 117.46 119.81 3f93 n PHE 750 Ca 0.13 -0.06 0.20 0.00 -1.87 0.00 0.00 57.45 55.86 3f93 n PHE 750 Cb 0.41 -0.02 0.44 0.00 -1.61 0.00 0.00 39.48 38.71 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 0.00 0.57 0.55 5.98 4.64 -1.46 -1.18 113.55 122.65 3f93 h SER 751 Ca 0.00 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 3f93 h SER 751 Cb 1.03 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3f93 h SER 751 CO 0.00 0.08 -0.17 -0.61 -0.87 0.00 0.00 176.83 175.26 3f93 h GLN 752 N 0.48 0.00 0.00 4.77 5.75 -1.89 -0.95 115.11 123.28 3f93 h GLN 752 Ca 0.64 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 59.07 3f93 h GLN 752 Cb 1.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 3f93 h GLN 752 CO -0.41 0.17 -0.34 1.25 -2.65 0.00 0.00 178.83 176.85 3f93 h LEU 753 N 0.00 0.00 -1.12 -2.39 7.12 -1.61 -3.31 115.31 114.00 3f93 h LEU 753 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3f93 h LEU 753 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 3f93 h LEU 753 CO 0.02 0.34 -0.08 0.23 -0.13 0.00 0.00 178.44 178.82 3f93 n MET 754 N -3.49 1.12 0.29 1.25 0.00 -0.44 -4.68 117.12 111.17 3f93 n MET 754 Ca -0.00 -0.89 0.19 0.00 0.00 0.00 0.00 57.70 57.00 3f93 n MET 754 Cb 0.49 -1.14 1.02 0.00 0.00 0.00 0.00 33.22 33.59 3f93 n MET 754 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3f93 h ALA 755 N 1.86 1.01 0.00 3.04 0.00 -1.43 -1.64 119.26 122.10 3f93 h ALA 755 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f93 h ALA 755 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3f93 h ALA 755 CO 0.00 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.84 3f93 n ASP 756 N -2.83 0.00 -1.91 0.00 5.68 -1.26 -4.88 116.55 111.35 3f93 n ASP 756 Ca -0.02 0.23 -0.18 0.00 -0.50 0.00 0.00 54.79 54.31 3f93 n ASP 756 Cb 0.07 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 39.64 3f93 n ASP 756 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3f93 n LYS 757 N -1.39 -1.39 -4.44 0.11 5.02 -0.62 -5.00 118.16 110.45 3f93 n LYS 757 Ca 0.08 0.92 -0.30 0.00 -2.02 0.00 0.00 58.31 56.98 3f93 n LYS 757 Cb 0.20 -5.37 -0.05 0.00 -0.02 0.00 0.00 35.03 29.79 3f93 n LYS 757 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3f93 n SER 758 N -1.32 3.24 -4.75 4.39 2.88 -1.26 -4.73 113.62 112.07 3f93 n SER 758 Ca -0.21 -3.10 -0.40 0.00 -1.33 0.00 0.00 58.87 53.83 3f93 n SER 758 Cb 0.65 0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 64.33 3f93 n SER 758 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3f93 s TRP 759 N -2.76 3.58 -0.02 0.66 0.52 -1.26 -4.28 118.94 115.39 3f93 s TRP 759 Ca 0.06 1.67 -0.02 0.00 0.02 0.00 0.00 56.10 57.83 3f93 s TRP 759 Cb -0.00 -3.29 0.01 0.00 -1.15 0.00 0.00 33.47 29.03 3f93 s TRP 759 CO 0.04 -0.58 0.06 -1.01 0.02 0.00 0.00 176.95 175.48 3f93 s HIS 760 N -0.97 -0.06 -0.18 -1.98 3.76 -0.44 -4.94 115.29 110.48 3f93 s HIS 760 Ca 0.46 0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 55.31 3f93 s HIS 760 Cb -0.32 0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.37 3f93 s HIS 760 CO 0.40 -0.03 0.62 0.99 -0.85 0.00 0.00 174.74 175.87 3f93 s THR 761 N 0.04 5.04 -0.16 1.30 2.01 -1.26 -1.32 115.64 121.29 3f93 s THR 761 Ca -0.00 1.18 -0.03 0.00 0.31 0.00 0.00 61.69 63.14 3f93 s THR 761 Cb -0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 3f93 s THR 761 CO 0.00 0.15 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.27 3f93 s LEU 762 N 1.67 3.19 -0.23 4.42 1.43 0.20 -0.68 118.68 128.69 3f93 s LEU 762 Ca 0.29 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3f93 s LEU 762 Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3f93 s LEU 762 CO 0.11 0.16 0.05 0.00 0.23 0.00 0.00 176.35 176.90 3f93 s ALA 763 N 0.42 3.16 -0.35 4.21 0.00 0.56 -1.54 121.76 128.22 3f93 s ALA 763 Ca -0.04 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.91 3f93 s ALA 763 Cb -0.14 -1.98 0.10 0.00 0.00 0.00 0.00 23.12 21.10 3f93 s ALA 763 CO 0.03 -0.30 0.07 0.42 0.00 0.00 0.00 175.76 175.98 3f93 s ILE 764 N 1.28 2.38 0.16 0.00 1.01 0.61 -0.41 121.20 126.24 3f93 s ILE 764 Ca 0.05 -2.37 -0.34 0.00 0.00 0.00 0.00 60.65 57.99 3f93 s ILE 764 Cb -0.15 -2.74 -0.14 0.00 0.01 0.00 0.00 42.46 39.44 3f93 s ILE 764 CO 0.03 -0.62 1.48 -0.81 0.00 0.00 0.00 174.94 175.02 3f93 n PRO 765 N 4.23 1.89 0.14 2.79 -0.04 -1.26 -1.27 135.00 141.48 3f93 n PRO 765 Ca 0.04 0.68 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 3f93 n PRO 765 Cb 0.42 -2.39 0.07 0.00 -0.04 0.00 0.00 33.50 31.55 3f93 n PRO 765 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3f93 h LEU 766 N 5.20 0.00 -8.13 1.53 3.38 -1.20 -3.45 115.31 112.63 3f93 h LEU 766 Ca -0.45 -0.01 -0.70 0.00 0.09 0.00 0.00 57.88 56.80 3f93 h LEU 766 Cb 1.28 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.74 3f93 h LEU 766 CO 0.83 0.00 -0.54 -2.28 0.09 0.00 0.00 178.44 176.54 3f93 s HIS 767 N -3.30 3.32 -0.05 1.13 5.04 -1.26 -4.88 115.29 115.29 3f93 s HIS 767 Ca 0.02 -1.56 0.03 0.00 -1.54 0.00 0.00 55.06 52.02 3f93 s HIS 767 Cb 0.08 -2.64 -0.05 0.00 0.04 0.00 0.00 32.58 30.01 3f93 s HIS 767 CO 0.75 -0.80 -0.01 0.00 -2.34 0.00 0.00 174.74 172.34 3f93 n GLN 776 N -2.34 0.00 -1.79 0.00 -0.06 -1.26 -4.73 117.38 107.19 3f93 n GLN 776 Ca -0.09 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.49 3f93 n GLN 776 Cb 0.64 -0.39 -0.03 0.00 -4.06 0.00 0.00 30.24 26.40 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 -2.00 3.35 0.06 3.69 0.04 -1.26 -4.03 135.00 134.85 3f93 s PRO 777 Ca 0.00 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3f93 s PRO 777 Cb 0.00 -4.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 3f93 s PRO 777 CO 0.00 -1.84 1.02 0.42 0.04 0.00 0.00 177.00 176.64 3f93 s ILE 778 N 7.19 4.52 -0.24 0.56 -1.09 -0.52 -4.40 121.20 127.23 3f93 s ILE 778 Ca 0.90 1.91 -0.16 0.00 -2.23 0.00 0.00 60.65 61.07 3f93 s ILE 778 Cb -0.30 -4.22 -0.11 0.00 -1.58 0.00 0.00 42.46 36.25 3f93 s ILE 778 CO 0.35 0.21 -0.25 0.41 -1.23 0.00 0.00 174.94 174.42 3f93 n THR 779 N 3.44 1.52 -3.67 2.92 -1.04 -0.03 -2.56 114.28 114.86 3f93 n THR 779 Ca 0.05 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.05 61.50 3f93 n THR 779 Cb 0.49 -2.05 -0.11 0.00 -1.82 0.00 0.00 70.33 66.85 3f93 n THR 779 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3f93 s ASP 780 N -6.93 5.51 0.58 8.00 1.01 -0.83 -1.00 116.67 123.00 3f93 s ASP 780 Ca -0.33 -1.40 0.27 0.00 0.71 0.00 0.00 52.55 51.80 3f93 s ASP 780 Cb 0.10 -1.94 1.67 0.00 1.01 0.00 0.00 42.92 43.76 3f93 s ASP 780 CO 0.47 -0.46 2.18 0.00 0.21 0.00 0.00 175.17 177.57 3f93 h ALA 781 N 8.32 1.73 -2.51 5.23 0.00 -0.96 0.30 119.26 131.37 3f93 h ALA 781 Ca -0.22 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3f93 h ALA 781 Cb 1.08 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.62 3f93 h ALA 781 CO 0.70 -0.13 -0.23 -1.17 0.00 0.00 0.00 179.25 178.41 3f93 s LEU 782 N -7.90 -0.28 -0.05 0.00 1.98 -1.03 -1.73 118.68 109.66 3f93 s LEU 782 Ca -0.05 1.03 -0.02 0.00 -2.89 0.00 0.00 54.13 52.20 3f93 s LEU 782 Cb 0.16 1.56 0.03 0.00 0.66 0.00 0.00 46.19 48.60 3f93 s LEU 782 CO 0.57 -0.20 0.04 -0.60 -1.89 0.00 0.00 176.35 174.27 3f93 s ARG 783 N 1.48 0.18 -0.09 1.98 3.52 0.14 -1.47 118.95 124.69 3f93 s ARG 783 Ca -0.09 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 3f93 s ARG 783 Cb -0.08 -0.68 -0.00 0.00 -1.56 0.00 0.00 34.95 32.63 3f93 s ARG 783 CO -0.14 -0.32 -0.23 0.42 -0.81 0.00 0.00 175.30 174.22 3f93 s ILE 784 N 2.07 2.17 0.02 4.11 1.01 0.62 0.60 121.20 131.81 3f93 s ILE 784 Ca 0.05 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3f93 s ILE 784 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 3f93 s ILE 784 CO -0.04 0.56 -0.19 -0.89 0.00 0.00 0.00 174.94 174.38 3f93 s THR 785 N 0.24 1.49 -0.27 2.92 2.01 -0.76 0.31 115.64 121.57 3f93 s THR 785 Ca -0.15 -1.00 -0.35 0.00 0.31 0.00 0.00 61.69 60.49 3f93 s THR 785 Cb -0.17 -1.28 0.17 0.00 0.01 0.00 0.00 72.50 71.22 3f93 s THR 785 CO 0.08 0.25 1.35 -0.55 -0.69 0.00 0.00 174.62 175.06 3f93 s SER 786 N -0.88 -0.04 -0.14 3.53 0.15 -1.02 -1.66 113.70 113.65 3f93 s SER 786 Ca 0.06 0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 3f93 s SER 786 Cb -0.08 0.04 -0.25 0.00 -1.71 0.00 0.00 66.02 64.02 3f93 s SER 786 CO 0.01 -0.06 0.30 1.67 1.20 0.00 0.00 173.24 176.36 3f93 n GLN 787 N 0.16 0.73 -3.50 5.44 -0.06 -1.26 -1.79 117.38 117.10 3f93 n GLN 787 Ca 0.03 0.24 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 3f93 n GLN 787 Cb 0.57 -1.69 -0.03 0.00 -4.06 0.00 0.00 30.24 25.04 3f93 n GLN 787 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 3f93 s ASN 788 N -6.87 -1.19 -0.26 1.69 3.84 -1.26 -0.72 114.94 110.16 3f93 s ASN 788 Ca -0.23 1.35 -0.27 0.00 0.21 0.00 0.00 52.86 53.92 3f93 s ASN 788 Cb 0.07 2.24 0.16 0.00 -0.55 0.00 0.00 41.25 43.17 3f93 s ASN 788 CO 0.75 -0.23 1.25 -0.22 -2.79 0.00 0.00 177.10 175.86 3f93 s LEU 789 N 2.88 -0.19 -0.11 3.21 2.96 -1.04 -4.22 118.68 122.17 3f93 s LEU 789 Ca 0.02 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3f93 s LEU 789 Cb -0.13 1.41 0.04 0.00 0.50 0.00 0.00 46.19 48.01 3f93 s LEU 789 CO -0.19 -0.11 0.03 -0.55 -1.32 0.00 0.00 176.35 174.20 3f93 s SER 790 N -0.43 1.98 0.37 3.68 0.15 -1.16 0.33 113.70 118.63 3f93 s SER 790 Ca 0.05 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.44 3f93 s SER 790 Cb -0.03 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 3f93 s SER 790 CO -0.08 -0.25 0.21 0.00 1.20 0.00 0.00 173.24 174.32 3f93 n LEU 791 N 5.15 0.00 -4.12 3.45 -0.00 -0.80 -0.76 117.00 119.91 3f93 n LEU 791 Ca -0.07 -3.13 -0.15 0.00 -0.00 0.00 0.00 56.01 52.66 3f93 n LEU 791 Cb 0.49 1.32 -0.11 0.00 -0.00 0.00 0.00 43.42 45.11 3f93 n LEU 791 CO 0.11 -0.50 -0.42 0.00 -0.00 0.00 0.00 177.39 176.58 3f93 s ALA 792 N -3.21 0.88 -0.00 1.47 0.00 0.16 -1.29 121.76 119.76 3f93 s ALA 792 Ca 0.29 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3f93 s ALA 792 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 3f93 s ALA 792 CO 0.21 0.01 -0.02 0.42 0.00 0.00 0.00 175.76 176.37 3f93 s ILE 793 N -1.73 0.18 0.25 0.00 1.01 0.67 -1.91 121.20 119.66 3f93 s ILE 793 Ca -0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 3f93 s ILE 793 Cb -0.07 -0.16 0.03 0.00 0.01 0.00 0.00 42.46 42.27 3f93 s ILE 793 CO 0.00 0.04 0.68 0.00 0.00 0.00 0.00 174.94 175.67 3f93 s ALA 794 N -0.08 -1.28 -1.11 9.38 0.00 -0.72 -0.55 121.76 127.40 3f93 s ALA 794 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 3f93 s ALA 794 Cb -0.01 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 3f93 s ALA 794 CO -0.00 -0.97 0.79 -0.25 0.00 0.00 0.00 175.76 175.33 3f93 n ASP 795 N -0.44 -5.40 -4.56 0.00 10.43 -1.07 0.05 116.55 115.56 3f93 n ASP 795 Ca -0.07 -0.99 -0.41 0.00 2.57 0.00 0.00 54.79 55.89 3f93 n ASP 795 Cb 0.61 -3.35 -0.09 0.00 1.84 0.00 0.00 41.12 40.13 3f93 n ASP 795 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3f93 s VAL 796 N -3.43 5.14 0.09 2.53 1.01 0.24 -3.71 120.40 122.27 3f93 s VAL 796 Ca 0.45 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 3f93 s VAL 796 Cb -0.16 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3f93 s VAL 796 CO 0.86 -0.07 0.42 0.00 0.00 0.00 0.00 175.10 176.31 3f93 s ALA 797 N 2.10 -1.00 -0.09 5.51 0.00 -0.32 0.54 121.76 128.49 3f93 s ALA 797 Ca 0.14 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 3f93 s ALA 797 Cb -0.16 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3f93 s ALA 797 CO 0.12 -0.56 0.48 -0.51 0.00 0.00 0.00 175.76 175.28 3f93 s LEU 798 N -2.42 4.32 0.22 0.00 1.43 -0.71 -0.24 118.68 121.28 3f93 s LEU 798 Ca -0.01 0.87 0.10 0.00 -1.03 0.00 0.00 54.13 54.06 3f93 s LEU 798 Cb 0.01 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 3f93 s LEU 798 CO -0.07 0.06 -0.12 -0.89 0.23 0.00 0.00 176.35 175.56 3f93 s THR 799 N 0.27 2.98 -0.00 5.49 2.01 0.25 -1.99 115.64 124.65 3f93 s THR 799 Ca 0.26 -1.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.15 3f93 s THR 799 Cb -0.16 -2.51 -0.28 0.00 0.01 0.00 0.00 72.50 69.56 3f93 s THR 799 CO 0.11 -0.22 1.02 0.16 -0.69 0.00 0.00 174.62 175.00 3f93 h ILE 800 N 2.55 1.43 -4.34 1.82 3.07 -1.87 0.22 117.51 120.39 3f93 h ILE 800 Ca -0.45 -2.35 -0.62 0.00 1.55 0.00 0.00 64.86 63.00 3f93 h ILE 800 Cb 1.22 2.86 -0.28 0.00 -0.27 0.00 0.00 36.82 40.35 3f93 h ILE 800 CO 0.56 0.68 -0.86 -0.54 -1.05 0.00 0.00 178.15 176.94 3f93 s LYS 801 N -2.85 1.63 0.49 0.16 3.01 -1.26 -4.48 119.74 116.44 3f93 s LYS 801 Ca -0.12 -0.88 -0.20 0.00 -1.01 0.00 0.00 55.97 53.76 3f93 s LYS 801 Cb 0.03 -1.67 -0.08 0.00 -1.01 0.00 0.00 37.83 35.10 3f93 s LYS 801 CO 0.85 0.44 1.06 -1.25 0.51 0.00 0.00 175.35 176.96 3f93 s PRO 802 N -0.83 3.76 0.87 -1.68 0.04 -1.26 -5.00 135.00 130.89 3f93 s PRO 802 Ca 0.08 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 3f93 s PRO 802 Cb -0.09 -2.12 0.11 0.00 0.04 0.00 0.00 34.50 32.44 3f93 s PRO 802 CO 0.00 -0.48 1.10 -1.12 0.04 0.00 0.00 177.00 176.54 3f93 s SER 803 N -1.90 3.62 0.10 6.66 0.01 -1.26 -4.94 113.70 115.99 3f93 s SER 803 Ca 0.67 1.71 -0.23 0.00 1.31 0.00 0.00 55.95 59.42 3f93 s SER 803 Cb -0.18 -2.36 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 3f93 s SER 803 CO 0.22 -2.58 1.38 0.44 0.41 0.00 0.00 173.24 173.11 3f93 h ASP 804 N -1.51 -1.37 -0.02 2.44 3.32 -2.03 -2.71 116.42 114.55 3f93 h ASP 804 Ca -0.47 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3f93 h ASP 804 Cb 1.27 0.57 0.00 0.00 0.22 0.00 0.00 39.33 41.39 3f93 h ASP 804 CO 0.51 -0.25 0.00 0.47 -1.72 0.00 0.00 179.24 178.25 3f93 n ASP 805 N -4.58 0.62 -4.66 6.45 10.43 -1.26 -4.87 116.55 118.68 3f93 n ASP 805 Ca -0.01 -1.27 -0.37 0.00 2.57 0.00 0.00 54.79 55.71 3f93 n ASP 805 Cb 0.22 -0.01 0.06 0.00 1.84 0.00 0.00 41.12 43.23 3f93 n ASP 805 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3f93 n SER 806 N -0.49 1.35 -4.24 -2.24 7.64 -1.03 -4.52 113.62 110.09 3f93 n SER 806 Ca 0.21 0.82 -0.33 0.00 1.01 0.00 0.00 58.87 60.58 3f93 n SER 806 Cb 0.20 -1.46 -0.16 0.00 -1.01 0.00 0.00 64.21 61.78 3f93 n SER 806 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3f93 s ILE 807 N -1.46 2.38 -0.22 0.44 1.01 0.15 -4.90 121.20 118.60 3f93 s ILE 807 Ca 0.78 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 60.31 3f93 s ILE 807 Cb -0.40 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3f93 s ILE 807 CO 0.44 0.54 0.80 -0.55 0.00 0.00 0.00 174.94 176.17 3f93 s SER 808 N 0.64 6.83 -1.15 3.58 0.15 -1.26 -0.32 113.70 122.17 3f93 s SER 808 Ca -0.10 1.03 -0.17 0.00 0.70 0.00 0.00 55.95 57.40 3f93 s SER 808 Cb -0.16 -2.42 0.11 0.00 -1.71 0.00 0.00 66.02 61.84 3f93 s SER 808 CO 0.02 -0.45 1.47 -0.76 1.20 0.00 0.00 173.24 174.72 3f93 s LEU 809 N 2.56 4.43 0.90 3.45 1.43 0.46 -4.94 118.68 126.97 3f93 s LEU 809 Ca 0.34 -2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 50.93 3f93 s LEU 809 Cb -0.16 -2.48 0.13 0.00 0.03 0.00 0.00 46.19 43.72 3f93 s LEU 809 CO 0.09 -1.06 1.09 0.42 0.23 0.00 0.00 176.35 177.12 3f93 s THR 810 N 3.14 2.61 0.16 5.49 -4.23 -1.26 -4.33 115.64 117.22 3f93 s THR 810 Ca 0.45 0.20 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 3f93 s THR 810 Cb -0.01 -2.68 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 3f93 s THR 810 CO -0.01 -0.26 0.57 0.00 -0.54 0.00 0.00 174.62 174.38 3f93 n ALA 812 N 0.70 2.33 -2.43 0.00 0.00 -1.26 -4.85 120.51 114.99 3f93 n ALA 812 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 3f93 n ALA 812 Cb 0.52 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 3f93 n ALA 812 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3f93 s LYS 813 N 0.35 1.21 0.00 0.00 2.20 -1.26 -5.17 119.74 117.07 3f93 s LYS 813 Ca 0.00 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 3f93 s LYS 813 Cb 0.00 -1.12 0.00 0.00 -1.51 0.00 0.00 37.83 35.20 3f93 s LYS 813 CO 0.00 0.21 0.05 1.47 -0.36 0.00 0.00 175.35 176.72