#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ji8 s GLU 8 N 0.00 3.90 0.23 5.55 2.12 -1.26 -5.04 118.70 124.21 2ji8 s GLU 8 Ca 0.00 0.27 0.08 0.00 0.36 0.00 0.00 54.97 55.68 2ji8 s GLU 8 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2ji8 s GLU 8 CO 0.00 0.61 0.09 -0.51 -0.54 0.00 0.00 175.26 174.91 2ji8 s LEU 9 N -0.74 3.51 0.31 2.70 1.43 -1.26 -1.93 118.68 122.70 2ji8 s LEU 9 Ca 0.21 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2ji8 s LEU 9 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2ji8 s LEU 9 CO 0.10 0.01 0.08 0.28 0.23 0.00 0.00 176.35 177.05 2ji8 s THR 10 N -2.09 0.92 0.28 5.49 -1.32 -0.51 -4.74 115.64 113.67 2ji8 s THR 10 Ca 0.31 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.80 2ji8 s THR 10 Cb -0.08 -2.69 -0.00 0.00 -1.51 0.00 0.00 72.50 68.22 2ji8 s THR 10 CO 0.22 0.00 0.02 -0.90 -2.21 0.00 0.00 174.62 171.75 2ji8 n ASP 11 N -0.70 2.37 -0.10 8.08 5.68 -1.26 -1.83 116.55 128.79 2ji8 n ASP 11 Ca -0.02 -2.28 -0.01 0.00 -0.50 0.00 0.00 54.79 51.98 2ji8 n ASP 11 Cb 0.66 0.31 0.25 0.00 -1.14 0.00 0.00 41.12 41.20 2ji8 n ASP 11 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2ji8 h GLY 12 N 0.77 0.80 0.78 6.12 0.00 0.85 -2.21 103.07 110.18 2ji8 h GLY 12 Ca -0.23 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2ji8 h GLY 12 CO 0.38 0.40 -0.18 0.74 0.00 0.00 0.00 176.54 177.87 2ji8 h PHE 13 N 0.74 -0.47 -0.18 5.60 0.04 -1.79 -2.51 116.94 118.38 2ji8 h PHE 13 Ca 0.17 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.80 2ji8 h PHE 13 Cb 0.20 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2ji8 h PHE 13 CO 0.01 -0.27 -0.51 0.45 -0.60 0.00 0.00 178.31 177.39 2ji8 h HIS 14 N -0.38 0.60 -0.60 -0.55 3.86 -1.86 -2.28 115.15 113.94 2ji8 h HIS 14 Ca 0.00 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 2ji8 h HIS 14 Cb 0.37 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2ji8 h HIS 14 CO -0.15 0.90 0.24 0.28 0.86 0.00 0.00 177.93 180.06 2ji8 h VAL 15 N 0.38 1.23 -0.02 2.45 2.07 -1.40 -1.55 116.25 119.41 2ji8 h VAL 15 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2ji8 h VAL 15 Cb 1.03 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2ji8 h VAL 15 CO 0.09 0.28 0.02 0.25 0.02 0.00 0.00 177.57 178.23 2ji8 h LEU 16 N 0.84 0.03 -0.28 2.57 5.85 -1.31 0.02 115.31 123.03 2ji8 h LEU 16 Ca 0.20 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2ji8 h LEU 16 Cb 0.20 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2ji8 h LEU 16 CO -0.02 0.04 -0.08 0.40 -0.34 0.00 0.00 178.44 178.44 2ji8 h ILE 17 N 0.02 0.69 -0.45 4.05 2.04 -1.33 0.61 117.51 123.13 2ji8 h ILE 17 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2ji8 h ILE 17 Cb 0.01 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2ji8 h ILE 17 CO -0.00 0.00 0.28 0.44 0.00 0.00 0.00 178.15 178.87 2ji8 h ASP 18 N -0.02 0.47 -0.65 1.72 3.32 -1.11 -0.75 116.42 119.38 2ji8 h ASP 18 Ca 0.14 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2ji8 h ASP 18 Cb 0.23 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2ji8 h ASP 18 CO -0.30 0.34 0.32 0.00 -1.72 0.00 0.00 179.24 177.88 2ji8 h ALA 19 N 1.18 0.84 -0.19 3.45 0.00 -0.70 -1.26 119.26 122.58 2ji8 h ALA 19 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ji8 h ALA 19 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2ji8 h ALA 19 CO -0.06 0.40 0.10 -0.07 0.00 0.00 0.00 179.25 179.62 2ji8 h LEU 20 N 0.90 0.24 -1.56 0.00 3.38 -0.63 -2.93 115.31 114.72 2ji8 h LEU 20 Ca 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2ji8 h LEU 20 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ji8 h LEU 20 CO -0.03 0.26 -0.02 0.11 0.09 0.00 0.00 178.44 178.85 2ji8 h LYS 21 N 0.21 0.26 0.00 1.13 1.57 -0.90 -2.29 116.57 116.54 2ji8 h LYS 21 Ca 0.07 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2ji8 h LYS 21 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2ji8 h LYS 21 CO -0.01 0.30 -0.32 1.98 -0.57 0.00 0.00 179.45 180.83 2ji8 h MET 22 N 0.25 0.00 -0.97 3.15 4.05 -1.08 -1.72 114.93 118.61 2ji8 h MET 22 Ca 0.06 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.15 2ji8 h MET 22 Cb 0.21 0.00 -0.19 0.00 -0.80 0.00 0.00 31.60 30.81 2ji8 h MET 22 CO 0.01 0.32 0.42 0.09 0.23 0.00 0.00 176.91 177.97 2ji8 n ASN 23 N -3.50 3.61 -1.88 1.39 3.02 -0.95 -4.79 115.26 112.17 2ji8 n ASN 23 Ca -0.00 -3.08 -0.19 0.00 -0.03 0.00 0.00 54.58 51.28 2ji8 n ASN 23 Cb 0.48 -0.73 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 2ji8 n ASN 23 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ji8 n ASP 24 N -0.54 -5.12 -4.65 6.41 8.00 -0.65 -4.98 116.55 115.03 2ji8 n ASP 24 Ca 0.40 0.30 -0.40 0.00 0.71 0.00 0.00 54.79 55.80 2ji8 n ASP 24 Cb 1.29 -4.45 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 2ji8 n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ji8 s ILE 25 N -2.72 5.02 0.00 0.53 -1.09 -0.90 -4.92 121.20 117.12 2ji8 s ILE 25 Ca 0.00 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 2ji8 s ILE 25 Cb 0.00 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2ji8 s ILE 25 CO 0.00 0.10 0.78 -0.90 -1.23 0.00 0.00 174.94 173.69 2ji8 n ASP 26 N 5.21 1.44 -3.77 3.58 5.68 -1.26 -3.93 116.55 123.50 2ji8 n ASP 26 Ca -0.02 -1.61 -0.13 0.00 -0.50 0.00 0.00 54.79 52.54 2ji8 n ASP 26 Cb 0.50 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.36 2ji8 n ASP 26 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2ji8 s THR 27 N -0.61 -0.00 0.07 2.12 2.01 -1.26 -1.67 115.64 116.30 2ji8 s THR 27 Ca 0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2ji8 s THR 27 Cb 0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2ji8 s THR 27 CO 0.00 0.00 -0.09 -0.04 -0.69 0.00 0.00 174.62 173.80 2ji8 s MET 28 N 0.23 0.70 -0.07 4.92 -1.94 -0.72 -4.48 119.30 117.94 2ji8 s MET 28 Ca -0.01 -0.98 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 2ji8 s MET 28 Cb -0.03 -0.42 -0.01 0.00 2.01 0.00 0.00 34.83 36.39 2ji8 s MET 28 CO -0.00 0.07 -0.23 0.71 -0.01 0.00 0.00 175.02 175.55 2ji8 s TYR 29 N -1.98 2.34 0.00 -0.03 1.51 -0.73 -1.02 117.35 117.44 2ji8 s TYR 29 Ca -0.02 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 2ji8 s TYR 29 Cb -0.06 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2ji8 s TYR 29 CO -0.00 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.58 2ji8 n GLY 30 N 3.16 1.07 2.95 0.71 0.00 0.30 -1.31 105.19 112.08 2ji8 n GLY 30 Ca -0.18 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 2ji8 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ji8 s VAL 31 N -2.27 -0.12 0.10 1.61 1.01 -1.12 -0.47 120.40 119.15 2ji8 s VAL 31 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2ji8 s VAL 31 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2ji8 s VAL 31 CO 0.00 0.09 0.14 1.33 0.00 0.00 0.00 175.10 176.66 2ji8 n VAL 32 N 4.50 0.00 0.00 2.92 0.24 -1.26 -4.31 118.33 120.42 2ji8 n VAL 32 Ca -0.21 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2ji8 n VAL 32 Cb 0.52 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 2ji8 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ji8 n GLY 33 N 4.01 1.70 3.74 7.63 0.00 -1.26 -4.87 105.19 116.14 2ji8 n GLY 33 Ca 0.02 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2ji8 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ji8 s ILE 34 N -1.39 2.28 -0.64 -0.61 1.01 -1.26 -0.80 121.20 119.78 2ji8 s ILE 34 Ca 0.00 0.22 0.16 0.00 0.00 0.00 0.00 60.65 61.03 2ji8 s ILE 34 Cb 0.00 -3.14 0.70 0.00 0.01 0.00 0.00 42.46 40.03 2ji8 s ILE 34 CO 0.00 0.03 1.62 -0.81 0.00 0.00 0.00 174.94 175.77 2ji8 n PRO 35 N 2.93 3.96 -0.07 2.79 -0.04 -1.26 -4.19 135.00 139.11 2ji8 n PRO 35 Ca 0.11 -2.93 0.05 0.00 -0.04 0.00 0.00 63.50 60.68 2ji8 n PRO 35 Cb 0.38 -1.98 0.08 0.00 -0.04 0.00 0.00 33.50 31.94 2ji8 n PRO 35 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2ji8 n ILE 36 N 0.63 0.47 -0.27 0.52 -6.64 0.02 -4.67 119.36 109.42 2ji8 n ILE 36 Ca 0.25 -0.74 0.04 0.00 -1.77 0.00 0.00 62.75 60.53 2ji8 n ILE 36 Cb 0.97 0.87 0.17 0.00 -1.44 0.00 0.00 39.64 40.22 2ji8 n ILE 36 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 2ji8 h THR 37 N 1.85 0.79 0.00 7.28 2.02 -1.67 -1.78 112.91 121.40 2ji8 h THR 37 Ca 0.00 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 2ji8 h THR 37 Cb 0.55 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2ji8 h THR 37 CO 0.00 0.11 -0.14 0.78 0.37 0.00 0.00 175.52 176.64 2ji8 h ASN 38 N 0.61 0.00 -0.07 4.18 2.35 -1.88 -1.17 115.58 119.59 2ji8 h ASN 38 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 2ji8 h ASN 38 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2ji8 h ASN 38 CO -0.31 0.14 0.00 0.25 -1.65 0.00 0.00 177.43 175.86 2ji8 h LEU 39 N 0.00 0.13 -0.24 1.61 5.85 -1.66 -1.88 115.31 119.12 2ji8 h LEU 39 Ca -0.00 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.48 2ji8 h LEU 39 Cb 0.93 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 2ji8 h LEU 39 CO 0.02 0.40 -0.17 0.00 -0.34 0.00 0.00 178.44 178.35 2ji8 h ALA 40 N 0.73 -0.01 -0.34 1.25 0.00 -1.04 -1.07 119.26 118.79 2ji8 h ALA 40 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2ji8 h ALA 40 Cb 0.33 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2ji8 h ALA 40 CO 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 179.25 178.80 2ji8 h ARG 41 N -0.16 0.28 -0.01 0.00 3.08 -1.24 -2.68 114.38 113.65 2ji8 h ARG 41 Ca 0.14 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2ji8 h ARG 41 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2ji8 h ARG 41 CO -0.34 0.19 -0.62 0.52 -1.07 0.00 0.00 179.97 178.65 2ji8 h MET 42 N 0.29 0.03 -0.31 0.04 2.86 -1.13 -0.00 114.93 116.70 2ji8 h MET 42 Ca 0.15 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2ji8 h MET 42 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2ji8 h MET 42 CO -0.14 0.64 0.00 2.35 1.06 0.00 0.00 176.91 180.82 2ji8 h TRP 43 N 0.02 -0.02 -0.18 -0.22 2.91 -1.01 -1.35 115.95 116.11 2ji8 h TRP 43 Ca -0.01 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 2ji8 h TRP 43 Cb 1.10 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 2ji8 h TRP 43 CO 0.00 -0.05 -0.05 1.96 -1.03 0.00 0.00 178.44 179.27 2ji8 h GLN 44 N 0.09 0.35 -0.99 2.65 4.20 -1.10 -2.62 115.11 117.69 2ji8 h GLN 44 Ca 0.15 -0.13 0.19 0.00 0.06 0.00 0.00 58.65 58.92 2ji8 h GLN 44 Cb 0.20 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.87 2ji8 h GLN 44 CO -0.25 0.62 0.61 -0.44 -0.67 0.00 0.00 178.83 178.70 2ji8 h ASP 45 N 0.05 0.71 0.96 1.46 3.32 -0.89 0.19 116.42 122.22 2ji8 h ASP 45 Ca 0.04 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2ji8 h ASP 45 Cb 0.49 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2ji8 h ASP 45 CO 0.02 0.26 -0.01 -0.78 -1.72 0.00 0.00 179.24 177.02 2ji8 h ASP 46 N 0.70 0.00 0.00 6.45 3.58 -1.13 -3.47 116.42 122.55 2ji8 h ASP 46 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 2ji8 h ASP 46 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2ji8 h ASP 46 CO -0.33 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.65 2ji8 n GLY 47 N -0.03 1.59 3.77 -0.78 0.00 0.05 -5.11 105.19 104.69 2ji8 n GLY 47 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2ji8 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ji8 s GLN 48 N -0.06 2.49 -0.07 1.61 -1.52 -1.00 -5.03 119.66 116.08 2ji8 s GLN 48 Ca 0.00 -1.47 -0.12 0.00 -1.95 0.00 0.00 55.36 51.82 2ji8 s GLN 48 Cb 0.00 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.47 2ji8 s GLN 48 CO 0.00 0.10 0.30 1.03 -0.25 0.00 0.00 175.29 176.47 2ji8 s ARG 49 N -3.90 3.82 -0.12 2.91 0.52 -0.67 -4.07 118.95 117.44 2ji8 s ARG 49 Ca 0.39 0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 55.77 2ji8 s ARG 49 Cb -0.04 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.21 2ji8 s ARG 49 CO 0.24 0.64 -0.07 0.12 0.02 0.00 0.00 175.30 176.24 2ji8 s PHE 50 N -0.78 1.53 -0.42 -0.53 5.36 -1.26 -1.76 117.98 120.11 2ji8 s PHE 50 Ca 0.19 -0.80 -0.15 0.00 -0.96 0.00 0.00 56.93 55.22 2ji8 s PHE 50 Cb -0.14 -1.25 0.03 0.00 -0.34 0.00 0.00 43.02 41.32 2ji8 s PHE 50 CO 0.08 -0.53 0.32 0.71 -1.46 0.00 0.00 175.22 174.34 2ji8 s TYR 51 N 1.69 3.24 -0.05 10.12 1.51 -0.19 -5.00 117.35 128.67 2ji8 s TYR 51 Ca 0.04 -0.71 -0.28 0.00 -1.01 0.00 0.00 57.07 55.12 2ji8 s TYR 51 Cb -0.13 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 38.98 2ji8 s TYR 51 CO -0.08 -0.65 0.90 -1.12 -1.11 0.00 0.00 175.55 173.49 2ji8 s SER 52 N 1.89 7.21 0.36 2.29 0.01 -1.26 -0.54 113.70 123.66 2ji8 s SER 52 Ca 0.05 1.47 0.04 0.00 1.31 0.00 0.00 55.95 58.82 2ji8 s SER 52 Cb -0.20 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.55 2ji8 s SER 52 CO 0.09 -0.27 0.33 0.49 0.41 0.00 0.00 173.24 174.29 2ji8 n PHE 53 N 4.20 -1.34 0.98 2.43 3.01 0.38 -4.90 117.46 122.22 2ji8 n PHE 53 Ca 0.05 -1.48 0.10 0.00 1.01 0.00 0.00 57.45 57.13 2ji8 n PHE 53 Cb 0.50 -0.31 -0.12 0.00 -0.01 0.00 0.00 39.48 39.55 2ji8 n PHE 53 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2ji8 n ARG 54 N -1.47 0.16 -3.68 -1.08 5.12 -1.26 -4.82 116.66 109.64 2ji8 n ARG 54 Ca 0.02 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.78 2ji8 n ARG 54 Cb 0.40 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 30.14 2ji8 n ARG 54 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ji8 s HIS 55 N -2.95 -0.42 -0.00 -1.55 2.46 -1.26 -5.06 115.29 106.50 2ji8 s HIS 55 Ca 0.08 0.82 0.19 0.00 0.47 0.00 0.00 55.06 56.61 2ji8 s HIS 55 Cb 0.16 0.21 0.49 0.00 -0.13 0.00 0.00 32.58 33.31 2ji8 s HIS 55 CO 0.85 -0.42 1.64 0.93 -2.47 0.00 0.00 174.74 175.27 2ji8 h GLU 56 N 4.05 0.00 -0.81 2.88 3.07 -1.90 -3.13 114.58 118.74 2ji8 h GLU 56 Ca -0.28 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.65 2ji8 h GLU 56 Cb 1.17 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.01 2ji8 h GLU 56 CO 0.34 0.36 0.48 0.37 -1.40 0.00 0.00 179.01 179.16 2ji8 h GLN 57 N 0.00 0.83 0.08 2.33 4.15 -1.91 0.21 115.11 120.81 2ji8 h GLN 57 Ca -0.00 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 59.11 2ji8 h GLN 57 Cb 1.05 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 2ji8 h GLN 57 CO 0.05 0.55 -1.17 0.45 -1.93 0.00 0.00 178.83 176.77 2ji8 h HIS 58 N 0.86 0.32 -0.89 3.99 3.86 -1.89 0.32 115.15 121.73 2ji8 h HIS 58 Ca 0.36 -0.24 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 2ji8 h HIS 58 Cb 0.23 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 2ji8 h HIS 58 CO -0.05 1.19 0.58 0.00 0.86 0.00 0.00 177.93 180.51 2ji8 h ALA 59 N 0.72 1.46 0.34 2.45 0.00 -1.47 -1.14 119.26 121.61 2ji8 h ALA 59 Ca -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ji8 h ALA 59 Cb 1.91 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2ji8 h ALA 59 CO 0.18 0.45 -0.16 0.78 0.00 0.00 0.00 179.25 180.49 2ji8 h GLY 60 N 1.09 -0.47 0.71 0.00 0.00 -0.21 -1.94 103.07 102.24 2ji8 h GLY 60 Ca 0.36 0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.99 2ji8 h GLY 60 CO -0.11 -0.17 0.51 -0.97 0.00 0.00 0.00 176.54 175.80 2ji8 h TYR 61 N -0.68 0.61 -0.17 5.60 0.05 -0.86 -1.00 116.97 120.51 2ji8 h TYR 61 Ca -0.05 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2ji8 h TYR 61 Cb 0.48 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2ji8 h TYR 61 CO 0.00 0.25 0.09 0.00 -1.05 0.00 0.00 178.16 177.45 2ji8 h ALA 62 N 1.63 0.22 -0.48 3.88 0.00 -1.11 -2.56 119.26 120.84 2ji8 h ALA 62 Ca 0.38 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.31 2ji8 h ALA 62 Cb 0.71 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2ji8 h ALA 62 CO -0.14 -0.24 0.08 0.00 0.00 0.00 0.00 179.25 178.96 2ji8 h ALA 63 N 0.98 0.53 -0.39 0.00 0.00 -0.41 -2.18 119.26 117.79 2ji8 h ALA 63 Ca 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ji8 h ALA 63 Cb 0.08 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2ji8 h ALA 63 CO -0.01 -0.32 0.24 0.66 0.00 0.00 0.00 179.25 179.82 2ji8 h SER 64 N 0.22 0.46 1.32 0.00 4.64 -1.13 -1.96 113.55 117.09 2ji8 h SER 64 Ca 0.24 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2ji8 h SER 64 Cb 0.33 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2ji8 h SER 64 CO -0.33 0.36 -0.40 -0.29 -0.87 0.00 0.00 176.83 175.31 2ji8 h ILE 65 N 0.51 0.75 -0.19 0.95 6.09 -1.32 -2.46 117.51 121.85 2ji8 h ILE 65 Ca 0.14 -1.82 -0.07 0.00 -1.37 0.00 0.00 64.86 61.74 2ji8 h ILE 65 Cb -0.02 2.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 2ji8 h ILE 65 CO -0.03 0.39 -0.18 0.00 -3.07 0.00 0.00 178.15 175.27 2ji8 h ALA 66 N 1.60 1.35 -0.05 0.18 0.00 -1.15 -0.91 119.26 120.29 2ji8 h ALA 66 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2ji8 h ALA 66 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ji8 h ALA 66 CO 0.05 0.44 -0.02 0.78 0.00 0.00 0.00 179.25 180.50 2ji8 h GLY 67 N 0.89 0.11 0.20 0.00 0.00 -0.99 -1.87 103.07 101.41 2ji8 h GLY 67 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2ji8 h GLY 67 CO 0.03 0.09 -0.51 -1.82 0.00 0.00 0.00 176.54 174.33 2ji8 h TYR 68 N -0.28 -1.45 -0.75 5.60 3.20 -1.28 0.30 116.97 122.31 2ji8 h TYR 68 Ca 0.01 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2ji8 h TYR 68 Cb 0.44 0.61 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 2ji8 h TYR 68 CO 0.06 -0.59 0.48 0.82 -1.64 0.00 0.00 178.16 177.29 2ji8 h ILE 69 N -0.76 1.13 0.00 1.81 2.04 -1.24 -3.22 117.51 117.26 2ji8 h ILE 69 Ca -0.01 -0.33 -0.17 0.00 1.00 0.00 0.00 64.86 65.36 2ji8 h ILE 69 Cb 0.76 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2ji8 h ILE 69 CO -0.26 0.17 -1.58 -0.62 0.00 0.00 0.00 178.15 175.87 2ji8 n GLU 70 N -4.61 0.63 -3.02 2.37 1.02 -0.70 -4.98 120.64 111.36 2ji8 n GLU 70 Ca 0.08 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 2ji8 n GLU 70 Cb 0.07 -1.74 0.04 0.00 -0.02 0.00 0.00 31.44 29.78 2ji8 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ji8 n GLY 71 N 1.42 0.07 3.46 0.62 0.00 0.11 -5.05 105.19 105.82 2ji8 n GLY 71 Ca -0.12 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 2ji8 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ji8 s LYS 72 N -5.61 0.83 -0.09 1.61 -2.85 -1.18 -5.06 119.74 107.38 2ji8 s LYS 72 Ca 0.30 0.42 -0.35 0.00 -1.00 0.00 0.00 55.97 55.33 2ji8 s LYS 72 Cb -0.13 0.39 -0.13 0.00 -2.06 0.00 0.00 37.83 35.90 2ji8 s LYS 72 CO 0.37 -0.20 1.80 -2.30 0.10 0.00 0.00 175.35 175.12 2ji8 n PRO 73 N 1.77 1.92 -1.96 1.78 -0.02 -1.26 -3.92 135.00 133.31 2ji8 n PRO 73 Ca -0.17 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2ji8 n PRO 73 Cb 0.56 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2ji8 n PRO 73 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2ji8 s GLY 74 N 3.46 2.37 -0.24 -1.23 0.00 -1.03 -4.77 107.32 105.87 2ji8 s GLY 74 Ca 0.92 1.39 -0.01 0.00 0.00 0.00 0.00 44.72 47.02 2ji8 s GLY 74 CO 0.53 2.31 -0.07 0.14 0.00 0.00 0.00 173.10 176.00 2ji8 s VAL 75 N -0.17 2.81 -0.15 1.40 1.01 -1.26 -0.18 120.40 123.86 2ji8 s VAL 75 Ca 0.59 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2ji8 s VAL 75 Cb -0.43 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2ji8 s VAL 75 CO 0.46 0.22 0.08 0.00 0.00 0.00 0.00 175.10 175.87 2ji8 s LEU 77 N -0.31 2.40 0.36 0.00 2.96 -0.43 -0.43 118.68 123.23 2ji8 s LEU 77 Ca 0.09 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2ji8 s LEU 77 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2ji8 s LEU 77 CO 0.01 0.05 0.15 0.42 -1.32 0.00 0.00 176.35 175.67 2ji8 s THR 78 N 1.00 0.49 0.59 3.68 -4.23 -0.18 -2.81 115.64 114.18 2ji8 s THR 78 Ca -0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2ji8 s THR 78 Cb -0.15 -2.45 0.12 0.00 1.34 0.00 0.00 72.50 71.36 2ji8 s THR 78 CO -0.03 0.00 0.81 1.33 -0.54 0.00 0.00 174.62 176.19 2ji8 n VAL 79 N -0.76 0.00 -1.03 2.29 0.24 -1.26 -1.80 118.33 116.01 2ji8 n VAL 79 Ca -0.02 -1.35 -0.30 0.00 -2.04 0.00 0.00 64.34 60.63 2ji8 n VAL 79 Cb 0.65 -0.93 0.24 0.00 -1.47 0.00 0.00 33.84 32.33 2ji8 n VAL 79 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ji8 s SER 80 N -4.33 0.85 0.00 -1.34 1.04 -1.13 -0.74 113.70 108.05 2ji8 s SER 80 Ca 0.55 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2ji8 s SER 80 Cb -0.03 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2ji8 s SER 80 CO 0.36 -4.17 0.00 0.00 0.98 0.00 0.00 173.24 170.41 2ji8 n ALA 81 N -4.80 0.00 -0.30 5.32 0.00 -1.25 -1.30 120.51 118.18 2ji8 n ALA 81 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 2ji8 n ALA 81 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.11 2ji8 n ALA 81 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ji8 h PRO 82 N 0.00 1.17 0.18 0.00 0.13 -1.91 0.13 132.00 131.69 2ji8 h PRO 82 Ca 0.00 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2ji8 h PRO 82 Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 30.92 2ji8 h PRO 82 CO 0.00 0.90 -0.08 0.78 -0.23 0.00 0.00 178.00 179.36 2ji8 h GLY 83 N 1.15 -0.25 0.02 1.56 0.00 -1.37 -2.45 103.07 101.73 2ji8 h GLY 83 Ca 0.28 0.09 0.12 0.00 0.00 0.00 0.00 47.33 47.82 2ji8 h GLY 83 CO -0.04 -0.09 0.02 -2.75 0.00 0.00 0.00 176.54 173.68 2ji8 h PHE 84 N -0.39 -0.01 -0.39 5.60 3.57 -0.63 -2.42 116.94 122.27 2ji8 h PHE 84 Ca -0.02 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ji8 h PHE 84 Cb 0.30 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2ji8 h PHE 84 CO -0.02 -0.14 0.22 -0.07 -2.23 0.00 0.00 178.31 176.08 2ji8 h LEU 85 N 0.13 0.36 -0.34 0.59 3.38 -0.84 0.62 115.31 119.21 2ji8 h LEU 85 Ca 0.31 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.35 2ji8 h LEU 85 Cb 0.49 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2ji8 h LEU 85 CO -0.49 0.26 -0.06 0.78 0.09 0.00 0.00 178.44 179.02 2ji8 h ASN 86 N 0.45 -0.26 -0.34 -0.43 2.35 -1.08 -2.67 115.58 113.61 2ji8 h ASN 86 Ca 0.16 0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2ji8 h ASN 86 Cb 0.02 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2ji8 h ASN 86 CO -0.08 -0.09 0.02 1.23 -1.65 0.00 0.00 177.43 176.86 2ji8 h GLY 87 N 0.03 0.74 2.00 2.83 0.00 -0.94 -3.12 103.07 104.61 2ji8 h GLY 87 Ca 0.16 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2ji8 h GLY 87 CO -0.33 0.43 -0.31 -0.24 0.00 0.00 0.00 176.54 176.10 2ji8 h VAL 88 N 0.65 0.79 -0.89 4.60 3.04 -0.57 -1.18 116.25 122.71 2ji8 h VAL 88 Ca 0.13 -1.29 0.08 0.00 -1.01 0.00 0.00 66.70 64.62 2ji8 h VAL 88 Cb 0.38 1.80 -0.06 0.00 -2.01 0.00 0.00 31.29 31.40 2ji8 h VAL 88 CO 0.01 0.30 0.58 0.71 -1.01 0.00 0.00 177.57 178.16 2ji8 h THR 89 N 0.00 1.02 0.02 3.17 1.35 -1.43 -0.17 112.91 116.87 2ji8 h THR 89 Ca -0.00 -0.32 -0.27 0.00 -0.55 0.00 0.00 66.41 65.26 2ji8 h THR 89 Cb 0.78 -0.01 0.02 0.00 -1.73 0.00 0.00 68.15 67.21 2ji8 h THR 89 CO 0.04 0.17 -1.07 0.28 -0.25 0.00 0.00 175.52 174.69 2ji8 h SER 90 N 0.94 0.90 -0.88 5.36 0.02 -1.35 -2.95 113.55 115.58 2ji8 h SER 90 Ca 0.40 -0.73 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 2ji8 h SER 90 Cb 0.30 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 2ji8 h SER 90 CO -0.16 1.53 0.54 0.25 -1.14 0.00 0.00 176.83 177.85 2ji8 h LEU 91 N 0.38 0.81 -0.54 5.07 5.85 -1.02 -0.44 115.31 125.41 2ji8 h LEU 91 Ca -0.14 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2ji8 h LEU 91 Cb 1.72 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.60 2ji8 h LEU 91 CO 0.21 0.48 0.33 0.00 -0.34 0.00 0.00 178.44 179.12 2ji8 h ALA 92 N 1.45 0.69 -0.38 1.25 0.00 -0.99 -1.31 119.26 119.97 2ji8 h ALA 92 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ji8 h ALA 92 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ji8 h ALA 92 CO -0.22 0.17 0.25 1.25 0.00 0.00 0.00 179.25 180.70 2ji8 h HIS 93 N 0.73 0.49 -0.22 0.00 -0.00 -1.27 -2.10 115.15 112.78 2ji8 h HIS 93 Ca 0.19 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.62 2ji8 h HIS 93 Cb -0.02 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 2ji8 h HIS 93 CO -0.02 0.33 -0.06 0.00 -0.00 0.00 0.00 177.93 178.17 2ji8 h ALA 94 N 1.13 0.14 -0.73 5.26 0.00 -0.68 -1.70 119.26 122.68 2ji8 h ALA 94 Ca 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2ji8 h ALA 94 Cb -0.04 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2ji8 h ALA 94 CO -0.03 -0.48 0.29 1.15 0.00 0.00 0.00 179.25 180.19 2ji8 h THR 95 N -0.00 1.25 -0.24 0.00 2.02 -1.14 0.26 112.91 115.06 2ji8 h THR 95 Ca 0.11 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2ji8 h THR 95 Cb 0.17 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2ji8 h THR 95 CO -0.23 0.32 0.03 0.74 0.37 0.00 0.00 175.52 176.74 2ji8 h THR 96 N 1.05 1.13 0.00 3.16 2.02 -1.22 -3.02 112.91 116.03 2ji8 h THR 96 Ca 0.24 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2ji8 h THR 96 Cb 0.22 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2ji8 h THR 96 CO -0.02 0.17 -0.94 0.59 0.37 0.00 0.00 175.52 175.69 2ji8 n ASN 97 N -4.37 0.63 -0.61 4.18 3.02 -0.63 -4.88 115.26 112.60 2ji8 n ASN 97 Ca 0.00 -0.17 -0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2ji8 n ASN 97 Cb 0.18 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 2ji8 n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ji8 s PHE 99 N -3.00 3.07 0.17 0.00 0.08 -0.52 -4.39 117.98 113.40 2ji8 s PHE 99 Ca 0.00 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.43 2ji8 s PHE 99 Cb -0.00 -2.06 -0.09 0.00 -0.57 0.00 0.00 43.02 40.30 2ji8 s PHE 99 CO 0.01 -0.12 1.47 -1.25 -0.10 0.00 0.00 175.22 175.23 2ji8 s PRO 100 N 0.75 4.27 -0.10 0.24 0.04 -1.26 -3.55 135.00 135.38 2ji8 s PRO 100 Ca 0.00 2.24 -0.26 0.00 0.04 0.00 0.00 61.00 63.02 2ji8 s PRO 100 Cb -0.14 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.29 2ji8 s PRO 100 CO 0.02 -0.49 0.62 1.41 0.04 0.00 0.00 177.00 178.59 2ji8 s MET 101 N 0.73 0.92 -0.16 4.56 1.75 -1.12 -2.47 119.30 123.51 2ji8 s MET 101 Ca 0.65 0.37 0.01 0.00 -1.25 0.00 0.00 55.69 55.47 2ji8 s MET 101 Cb -0.41 0.43 0.02 0.00 2.84 0.00 0.00 34.83 37.72 2ji8 s MET 101 CO 0.34 -0.24 -0.17 0.42 -0.65 0.00 0.00 175.02 174.72 2ji8 s ILE 102 N -0.79 1.77 -0.40 10.11 1.01 0.74 -1.00 121.20 132.64 2ji8 s ILE 102 Ca -0.08 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 2ji8 s ILE 102 Cb -0.02 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2ji8 s ILE 102 CO 0.07 0.49 0.44 -0.22 0.00 0.00 0.00 174.94 175.72 2ji8 s LEU 103 N 1.39 4.73 -0.16 2.97 2.96 -0.54 -0.97 118.68 129.06 2ji8 s LEU 103 Ca 0.05 -0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 53.25 2ji8 s LEU 103 Cb -0.13 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2ji8 s LEU 103 CO -0.11 -0.54 0.47 -0.76 -1.32 0.00 0.00 176.35 174.08 2ji8 s LEU 104 N 2.16 4.21 -0.04 -0.68 1.43 0.42 -1.12 118.68 125.07 2ji8 s LEU 104 Ca 0.13 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2ji8 s LEU 104 Cb -0.17 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.43 2ji8 s LEU 104 CO 0.13 -0.06 -0.02 -0.44 0.23 0.00 0.00 176.35 176.19 2ji8 s SER 105 N 0.85 0.92 0.62 2.29 0.01 -1.11 -1.01 113.70 116.27 2ji8 s SER 105 Ca 0.24 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.22 2ji8 s SER 105 Cb -0.15 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 2ji8 s SER 105 CO 0.09 -0.09 0.97 0.61 0.41 0.00 0.00 173.24 175.24 2ji8 n GLY 106 N 4.26 -0.31 3.19 3.44 0.00 -0.75 -1.47 105.19 113.56 2ji8 n GLY 106 Ca -0.22 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2ji8 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ji8 s SER 107 N -1.31 0.21 0.00 1.61 1.04 -0.76 -2.83 113.70 111.66 2ji8 s SER 107 Ca 0.77 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2ji8 s SER 107 Cb -0.40 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2ji8 s SER 107 CO 0.46 -0.80 0.00 -1.20 0.98 0.00 0.00 173.24 172.68 2ji8 n SER 108 N -0.20 0.00 -4.63 7.02 7.64 -1.26 0.50 113.62 122.69 2ji8 n SER 108 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.44 2ji8 n SER 108 Cb 0.65 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 2ji8 n SER 108 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ji8 s GLU 109 N 1.66 3.94 0.20 1.43 0.41 -1.26 -4.33 118.70 120.75 2ji8 s GLU 109 Ca 0.00 1.09 -0.21 0.00 -0.41 0.00 0.00 54.97 55.44 2ji8 s GLU 109 Cb 0.00 -3.83 0.14 0.00 -1.78 0.00 0.00 34.13 28.66 2ji8 s GLU 109 CO 0.00 -1.08 1.57 -0.09 -0.49 0.00 0.00 175.26 175.17 2ji8 h ARG 110 N 8.87 -0.12 -0.51 1.61 9.65 -1.97 0.38 114.38 132.29 2ji8 h ARG 110 Ca -0.24 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.75 2ji8 h ARG 110 Cb 1.08 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 29.59 2ji8 h ARG 110 CO 1.05 -0.08 -0.12 0.93 2.80 0.00 0.00 179.97 184.55 2ji8 h GLU 111 N -0.13 0.01 0.08 0.20 5.08 -1.99 0.14 114.58 117.97 2ji8 h GLU 111 Ca 0.25 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 2ji8 h GLU 111 Cb 0.56 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.83 2ji8 h GLU 111 CO -0.77 0.00 -0.74 0.82 -1.00 0.00 0.00 179.01 177.33 2ji8 h ILE 112 N 0.01 1.47 -0.31 3.13 2.04 -1.77 -3.16 117.51 118.91 2ji8 h ILE 112 Ca 0.24 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.75 2ji8 h ILE 112 Cb 0.37 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 2ji8 h ILE 112 CO -0.51 0.67 0.18 0.58 0.00 0.00 0.00 178.15 179.07 2ji8 h VAL 113 N -0.25 1.12 0.00 1.67 2.07 -0.11 -2.44 116.25 118.32 2ji8 h VAL 113 Ca -0.12 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2ji8 h VAL 113 Cb 1.52 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2ji8 h VAL 113 CO 0.14 0.12 -0.10 0.44 0.02 0.00 0.00 177.57 178.20 2ji8 h ASP 114 N 0.39 0.00 -0.60 0.57 5.19 -0.82 0.04 116.42 121.20 2ji8 h ASP 114 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2ji8 h ASP 114 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2ji8 h ASP 114 CO -0.02 0.10 0.00 0.18 -3.12 0.00 0.00 179.24 176.38 2ji8 n LEU 115 N -3.90 3.61 -4.15 1.55 4.77 -1.12 -4.98 117.00 112.79 2ji8 n LEU 115 Ca -0.02 -1.81 -0.30 0.00 -0.03 0.00 0.00 56.01 53.84 2ji8 n LEU 115 Cb 0.19 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 2ji8 n LEU 115 CO 0.31 0.79 -0.27 0.00 -1.33 0.00 0.00 177.39 176.89 2ji8 n GLN 116 N 1.20 -2.42 0.03 3.23 6.02 0.00 -4.86 117.38 120.57 2ji8 n GLN 116 Ca 0.21 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 2ji8 n GLN 116 Cb 0.61 -4.36 0.28 0.00 1.02 0.00 0.00 30.24 27.79 2ji8 n GLN 116 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ji8 n GLN 117 N -4.43 0.12 0.00 -1.09 6.02 -1.02 -4.94 117.38 112.04 2ji8 n GLN 117 Ca -0.22 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2ji8 n GLN 117 Cb 0.64 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.32 2ji8 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ji8 n GLY 118 N 1.43 0.54 3.64 1.08 0.00 -1.26 -5.11 105.19 105.52 2ji8 n GLY 118 Ca 0.05 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2ji8 n GLY 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ji8 s ASP 119 N -1.04 2.19 0.08 1.61 2.15 -1.26 -4.95 116.67 115.44 2ji8 s ASP 119 Ca 0.00 1.15 -0.31 0.00 0.43 0.00 0.00 52.55 53.82 2ji8 s ASP 119 Cb 0.00 -1.79 -0.09 0.00 -0.30 0.00 0.00 42.92 40.73 2ji8 s ASP 119 CO 0.00 -3.40 1.83 -0.47 -0.17 0.00 0.00 175.17 172.97 2ji8 s TYR 120 N -2.91 1.94 -1.04 -5.34 5.04 -1.26 -3.38 117.35 110.40 2ji8 s TYR 120 Ca 0.66 -0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 55.03 2ji8 s TYR 120 Cb -0.19 -4.16 0.02 0.00 0.35 0.00 0.00 41.96 37.98 2ji8 s TYR 120 CO 0.58 -4.88 0.69 0.39 -1.34 0.00 0.00 175.55 170.99 2ji8 n GLU 121 N 6.24 -0.96 -2.72 4.97 1.02 -1.26 -4.71 120.64 123.22 2ji8 n GLU 121 Ca 0.18 0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 2ji8 n GLU 121 Cb 0.39 -3.06 -0.03 0.00 -0.02 0.00 0.00 31.44 28.72 2ji8 n GLU 121 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2ji8 s GLU 122 N -5.97 4.40 -0.19 3.49 2.12 -1.22 -3.77 118.70 117.56 2ji8 s GLU 122 Ca 0.30 1.33 -0.28 0.00 0.36 0.00 0.00 54.97 56.68 2ji8 s GLU 122 Cb -0.14 -3.55 0.12 0.00 0.26 0.00 0.00 34.13 30.82 2ji8 s GLU 122 CO 0.91 -0.32 0.96 1.41 -0.54 0.00 0.00 175.26 177.67 2ji8 s MET 123 N 2.04 0.63 -0.94 4.30 1.75 -1.26 -4.87 119.30 120.95 2ji8 s MET 123 Ca 0.47 0.35 -0.20 0.00 -1.25 0.00 0.00 55.69 55.06 2ji8 s MET 123 Cb -0.18 0.30 0.11 0.00 2.84 0.00 0.00 34.83 37.90 2ji8 s MET 123 CO 0.17 -0.16 1.21 0.34 -0.65 0.00 0.00 175.02 175.93 2ji8 s ASP 124 N -0.60 6.57 0.17 1.11 -1.08 -1.26 -4.83 116.67 116.75 2ji8 s ASP 124 Ca -0.01 -1.83 -0.05 0.00 -0.52 0.00 0.00 52.55 50.14 2ji8 s ASP 124 Cb -0.02 -2.45 0.04 0.00 -1.46 0.00 0.00 42.92 39.03 2ji8 s ASP 124 CO 0.00 -1.21 1.45 1.56 0.52 0.00 0.00 175.17 177.50 2ji8 h GLN 125 N 9.14 0.61 -0.56 4.34 4.20 -1.98 -1.56 115.11 129.29 2ji8 h GLN 125 Ca 0.15 -0.41 0.04 0.00 0.06 0.00 0.00 58.65 58.49 2ji8 h GLN 125 Cb 1.02 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 2ji8 h GLN 125 CO 1.20 1.03 0.31 1.98 -0.67 0.00 0.00 178.83 182.68 2ji8 h MET 126 N 0.45 0.58 -0.16 1.46 4.05 -1.91 -0.41 114.93 119.00 2ji8 h MET 126 Ca -0.00 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 2ji8 h MET 126 Cb 1.18 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2ji8 h MET 126 CO 0.12 0.38 -0.11 -0.97 0.23 0.00 0.00 176.91 176.56 2ji8 h ASN 127 N 0.60 0.37 0.08 1.39 -0.73 -1.93 -3.16 115.58 112.19 2ji8 h ASN 127 Ca 0.24 -0.44 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 2ji8 h ASN 127 Cb 0.11 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.60 2ji8 h ASN 127 CO -0.15 0.73 -0.05 0.58 -0.37 0.00 0.00 177.43 178.17 2ji8 h VAL 128 N 0.00 0.80 0.00 2.57 2.07 -1.08 -2.87 116.25 117.74 2ji8 h VAL 128 Ca 0.03 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2ji8 h VAL 128 Cb 0.61 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2ji8 h VAL 128 CO 0.03 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.65 2ji8 h ALA 129 N 1.95 1.00 -1.00 1.67 0.00 -1.03 -3.40 119.26 118.44 2ji8 h ALA 129 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ji8 h ALA 129 Cb 0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2ji8 h ALA 129 CO 0.01 0.02 0.66 0.00 0.00 0.00 0.00 179.25 179.94 2ji8 h ARG 130 N 0.00 1.29 0.00 0.00 3.08 -1.59 -0.15 114.38 117.01 2ji8 h ARG 130 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2ji8 h ARG 130 Cb 0.68 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2ji8 h ARG 130 CO 0.00 0.85 -0.03 -1.35 -1.07 0.00 0.00 179.97 178.37 2ji8 h PRO 131 N 1.33 0.00 -0.65 0.04 0.11 -1.83 -3.25 132.00 127.75 2ji8 h PRO 131 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2ji8 h PRO 131 Cb -0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2ji8 h PRO 131 CO -0.09 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 178.45 2ji8 n HIS 132 N -3.20 0.90 -3.93 0.65 8.25 -0.07 -4.97 115.22 112.84 2ji8 n HIS 132 Ca -0.01 -0.51 -0.08 0.00 -0.26 0.00 0.00 57.72 56.86 2ji8 n HIS 132 Cb 0.24 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 2ji8 n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ji8 h LYS 134 N 2.13 0.32 -3.05 0.00 1.57 -0.40 -3.47 116.57 113.67 2ji8 h LYS 134 Ca -0.23 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 2ji8 h LYS 134 Cb 1.25 0.02 -0.24 0.00 0.08 0.00 0.00 32.23 33.34 2ji8 h LYS 134 CO 0.29 0.77 -0.36 0.00 -0.57 0.00 0.00 179.45 179.59 2ji8 s ALA 135 N -4.10 -0.72 -0.22 3.86 0.00 -1.26 -5.07 121.76 114.26 2ji8 s ALA 135 Ca -0.14 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.50 2ji8 s ALA 135 Cb 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.88 2ji8 s ALA 135 CO 0.75 -0.17 -0.14 0.45 0.00 0.00 0.00 175.76 176.65 2ji8 s SER 136 N -0.26 3.76 0.32 0.00 0.15 -1.26 -1.61 113.70 114.80 2ji8 s SER 136 Ca -0.04 -1.03 0.09 0.00 0.70 0.00 0.00 55.95 55.67 2ji8 s SER 136 Cb -0.03 -1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 62.78 2ji8 s SER 136 CO 0.01 -0.12 0.05 -0.36 1.20 0.00 0.00 173.24 174.03 2ji8 s PHE 137 N 1.23 2.64 -0.06 3.44 0.08 0.75 -4.98 117.98 121.08 2ji8 s PHE 137 Ca -0.02 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 2ji8 s PHE 137 Cb -0.17 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 2ji8 s PHE 137 CO -0.08 0.47 -0.02 0.50 -0.10 0.00 0.00 175.22 175.99 2ji8 s ARG 138 N -3.74 0.68 -0.47 0.44 3.52 -1.26 -0.81 118.95 117.30 2ji8 s ARG 138 Ca 0.35 0.01 -0.20 0.00 -0.13 0.00 0.00 55.73 55.76 2ji8 s ARG 138 Cb -0.03 -0.87 0.04 0.00 -1.56 0.00 0.00 34.95 32.53 2ji8 s ARG 138 CO 0.21 -0.20 0.64 0.42 -0.81 0.00 0.00 175.30 175.56 2ji8 s ILE 139 N 1.44 4.84 -0.07 4.11 1.01 -0.91 -4.91 121.20 126.71 2ji8 s ILE 139 Ca -0.03 -0.17 0.14 0.00 0.00 0.00 0.00 60.65 60.59 2ji8 s ILE 139 Cb -0.13 -4.25 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 2ji8 s ILE 139 CO -0.03 -0.70 0.76 0.78 0.00 0.00 0.00 174.94 175.75 2ji8 h ASN 140 N 8.94 0.00 -4.32 3.58 4.21 -1.96 -3.39 115.58 122.64 2ji8 h ASN 140 Ca -0.26 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 56.76 2ji8 h ASN 140 Cb 1.10 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 38.06 2ji8 h ASN 140 CO 0.93 0.83 -0.81 -0.55 -1.29 0.00 0.00 177.43 176.54 2ji8 s SER 141 N -6.00 1.99 0.31 5.81 0.15 -1.26 -4.64 113.70 110.05 2ji8 s SER 141 Ca -0.04 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.08 2ji8 s SER 141 Cb 0.08 -0.12 0.49 0.00 -1.71 0.00 0.00 66.02 64.77 2ji8 s SER 141 CO 0.82 0.04 1.84 -0.29 1.20 0.00 0.00 173.24 176.85 2ji8 h ILE 142 N 4.35 1.21 0.00 6.45 2.10 -1.94 -2.06 117.51 127.63 2ji8 h ILE 142 Ca -0.41 -0.81 -0.00 0.00 1.08 0.00 0.00 64.86 64.71 2ji8 h ILE 142 Cb 1.18 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 37.73 2ji8 h ILE 142 CO 0.42 0.29 -0.00 0.07 -1.08 0.00 0.00 178.15 177.85 2ji8 h LYS 143 N 0.65 0.00 -0.04 2.19 2.10 -1.97 -3.02 116.57 116.49 2ji8 h LYS 143 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2ji8 h LYS 143 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2ji8 h LYS 143 CO 0.01 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 2ji8 n ASP 144 N -3.09 2.39 0.01 7.07 8.00 -0.77 -4.51 116.55 125.64 2ji8 n ASP 144 Ca -0.01 -1.80 -0.12 0.00 0.71 0.00 0.00 54.79 53.57 2ji8 n ASP 144 Cb 0.21 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 2ji8 n ASP 144 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2ji8 h ILE 145 N 3.72 1.14 -0.52 0.53 2.04 -1.61 0.31 117.51 123.13 2ji8 h ILE 145 Ca 0.00 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.52 2ji8 h ILE 145 Cb 0.79 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 2ji8 h ILE 145 CO 0.00 0.12 0.09 -0.65 0.00 0.00 0.00 178.15 177.70 2ji8 h PRO 146 N -0.12 0.21 -0.40 2.37 0.11 -1.83 -0.55 132.00 131.79 2ji8 h PRO 146 Ca 0.01 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2ji8 h PRO 146 Cb 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2ji8 h PRO 146 CO -0.00 0.14 -0.06 0.82 -0.21 0.00 0.00 178.00 178.69 2ji8 h ILE 147 N 0.22 1.27 -1.00 4.15 1.08 -1.80 -2.13 117.51 119.29 2ji8 h ILE 147 Ca 0.26 -1.13 0.08 0.00 -0.39 0.00 0.00 64.86 63.69 2ji8 h ILE 147 Cb 0.37 1.19 -0.07 0.00 -3.07 0.00 0.00 36.82 35.24 2ji8 h ILE 147 CO -0.36 0.38 0.64 1.23 -0.69 0.00 0.00 178.15 179.35 2ji8 h GLY 148 N 0.56 1.54 1.42 5.37 0.00 -0.07 -1.39 103.07 110.51 2ji8 h GLY 148 Ca 0.11 -0.46 -0.24 0.00 0.00 0.00 0.00 47.33 46.74 2ji8 h GLY 148 CO 0.03 0.28 -0.97 -2.22 0.00 0.00 0.00 176.54 173.67 2ji8 h ILE 149 N 1.11 1.36 -0.73 2.60 1.08 -0.99 -2.65 117.51 119.29 2ji8 h ILE 149 Ca 0.45 -2.36 0.07 0.00 -0.39 0.00 0.00 64.86 62.63 2ji8 h ILE 149 Cb 0.27 2.38 -0.06 0.00 -3.07 0.00 0.00 36.82 36.34 2ji8 h ILE 149 CO -0.20 0.71 0.41 0.00 -0.69 0.00 0.00 178.15 178.39 2ji8 h ALA 150 N 0.63 0.99 -0.65 1.87 0.00 -1.06 -1.40 119.26 119.64 2ji8 h ALA 150 Ca -0.09 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2ji8 h ALA 150 Cb 1.61 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2ji8 h ALA 150 CO 0.18 0.09 0.16 0.00 0.00 0.00 0.00 179.25 179.68 2ji8 h ARG 151 N 0.75 1.04 -0.17 0.00 3.08 -1.25 -1.36 114.38 116.47 2ji8 h ARG 151 Ca 0.33 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2ji8 h ARG 151 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2ji8 h ARG 151 CO -0.20 0.93 0.05 0.00 -1.07 0.00 0.00 179.97 179.69 2ji8 h ALA 152 N 1.06 0.23 -0.42 0.04 0.00 -1.15 -1.75 119.26 117.27 2ji8 h ALA 152 Ca 0.20 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2ji8 h ALA 152 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ji8 h ALA 152 CO 0.00 -0.15 0.05 0.28 0.00 0.00 0.00 179.25 179.44 2ji8 h VAL 153 N 0.10 1.25 -0.52 0.00 2.07 -1.23 -1.05 116.25 116.87 2ji8 h VAL 153 Ca 0.06 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 2ji8 h VAL 153 Cb 0.24 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2ji8 h VAL 153 CO -0.00 0.31 0.04 0.03 0.02 0.00 0.00 177.57 177.97 2ji8 h ARG 154 N 0.56 0.86 -0.17 1.57 3.08 -1.27 -2.13 114.38 116.87 2ji8 h ARG 154 Ca 0.13 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 2ji8 h ARG 154 Cb 0.40 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2ji8 h ARG 154 CO 0.01 0.84 -0.60 1.15 -1.07 0.00 0.00 179.97 180.30 2ji8 h THR 155 N 0.81 1.32 -0.56 2.04 2.02 -1.13 -1.05 112.91 116.36 2ji8 h THR 155 Ca 0.16 -1.87 -0.08 0.00 0.77 0.00 0.00 66.41 65.40 2ji8 h THR 155 Cb 0.43 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2ji8 h THR 155 CO 0.02 0.58 0.04 0.00 0.37 0.00 0.00 175.52 176.53 2ji8 h ALA 156 N 0.90 0.74 0.00 6.16 0.00 -1.07 -3.37 119.26 122.63 2ji8 h ALA 156 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2ji8 h ALA 156 Cb 1.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2ji8 h ALA 156 CO 0.11 0.53 -2.04 1.33 0.00 0.00 0.00 179.25 179.19 2ji8 n VAL 157 N -4.30 0.31 -2.61 0.00 0.24 -0.81 -1.27 118.33 109.90 2ji8 n VAL 157 Ca 0.02 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.34 61.53 2ji8 n VAL 157 Cb 0.30 -0.10 0.03 0.00 -1.47 0.00 0.00 33.84 32.61 2ji8 n VAL 157 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ji8 s SER 158 N -4.63 5.43 0.54 -1.34 1.04 -0.40 -4.56 113.70 109.78 2ji8 s SER 158 Ca -0.08 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2ji8 s SER 158 Cb 0.12 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2ji8 s SER 158 CO 0.85 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2ji8 n GLY 159 N -2.42 2.20 3.63 7.32 0.00 -1.26 -3.82 105.19 110.84 2ji8 n GLY 159 Ca 0.05 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2ji8 n GLY 159 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ji8 s ARG 160 N 0.00 3.90 0.81 1.61 3.52 -1.26 -4.93 118.95 122.60 2ji8 s ARG 160 Ca 0.00 1.50 -0.11 0.00 -0.13 0.00 0.00 55.73 56.99 2ji8 s ARG 160 Cb 0.00 -3.94 0.08 0.00 -1.56 0.00 0.00 34.95 29.53 2ji8 s ARG 160 CO 0.00 -1.15 1.12 -2.14 -0.81 0.00 0.00 175.30 172.32 2ji8 s PRO 161 N 4.32 1.90 0.00 5.12 0.02 -1.25 -4.91 135.00 140.21 2ji8 s PRO 161 Ca 0.63 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2ji8 s PRO 161 Cb -0.21 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2ji8 s PRO 161 CO 0.25 -1.93 0.00 0.41 -0.33 0.00 0.00 177.00 175.40 2ji8 n GLY 162 N -0.65 -1.24 3.82 0.52 0.00 -0.39 -3.92 105.19 103.33 2ji8 n GLY 162 Ca 0.10 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2ji8 n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ji8 s GLY 163 N 0.00 2.61 -0.00 -0.02 0.00 -1.24 -2.79 107.32 105.87 2ji8 s GLY 163 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.94 2ji8 s GLY 163 CO 0.00 0.51 -0.20 0.14 0.00 0.00 0.00 173.10 173.56 2ji8 s VAL 164 N -1.51 1.55 -0.14 1.40 1.01 -0.17 0.36 120.40 122.89 2ji8 s VAL 164 Ca 0.42 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2ji8 s VAL 164 Cb -0.17 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2ji8 s VAL 164 CO 0.21 0.39 -0.03 -0.47 0.00 0.00 0.00 175.10 175.20 2ji8 s TYR 165 N -0.52 3.04 -0.22 5.22 5.04 -0.63 -1.46 117.35 127.82 2ji8 s TYR 165 Ca 0.07 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 2ji8 s TYR 165 Cb -0.08 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.34 2ji8 s TYR 165 CO -0.00 0.04 -0.13 0.08 -1.34 0.00 0.00 175.55 174.19 2ji8 s VAL 166 N 0.18 1.97 0.00 3.14 1.01 -0.28 -0.18 120.40 126.24 2ji8 s VAL 166 Ca -0.01 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 2ji8 s VAL 166 Cb -0.14 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2ji8 s VAL 166 CO 0.03 0.19 0.71 -0.62 0.00 0.00 0.00 175.10 175.41 2ji8 s ASP 167 N 1.25 7.10 -0.56 3.32 2.15 0.01 -2.73 116.67 127.21 2ji8 s ASP 167 Ca -0.03 1.32 0.04 0.00 0.43 0.00 0.00 52.55 54.31 2ji8 s ASP 167 Cb -0.17 -2.43 0.14 0.00 -0.30 0.00 0.00 42.92 40.16 2ji8 s ASP 167 CO -0.08 -0.01 0.33 -0.76 -0.17 0.00 0.00 175.17 174.48 2ji8 s LEU 168 N 0.19 4.10 0.39 -1.34 1.43 -0.54 -2.14 118.68 120.77 2ji8 s LEU 168 Ca 0.37 -3.22 -0.25 0.00 -1.03 0.00 0.00 54.13 50.00 2ji8 s LEU 168 Cb -0.19 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 44.42 2ji8 s LEU 168 CO 0.20 -0.19 1.04 -2.65 0.23 0.00 0.00 176.35 174.98 2ji8 n PRO 169 N 2.81 1.43 -0.35 1.29 -0.02 -1.26 -1.82 135.00 137.08 2ji8 n PRO 169 Ca 0.11 0.51 0.24 0.00 -2.02 0.00 0.00 63.50 62.34 2ji8 n PRO 169 Cb 0.34 -2.03 0.49 0.00 -0.02 0.00 0.00 33.50 32.27 2ji8 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ji8 h ALA 170 N 1.72 2.12 0.00 3.55 0.00 -0.14 -0.49 119.26 126.02 2ji8 h ALA 170 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ji8 h ALA 170 Cb 1.33 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2ji8 h ALA 170 CO 0.58 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.83 2ji8 n LYS 171 N -4.81 0.01 -0.18 0.00 5.02 -1.26 -3.26 118.16 113.68 2ji8 n LYS 171 Ca 0.29 0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.64 2ji8 n LYS 171 Cb 0.95 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 34.46 2ji8 n LYS 171 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ji8 h LEU 172 N 0.00 0.67 -0.67 -0.35 5.85 -1.34 -3.34 115.31 116.13 2ji8 h LEU 172 Ca 0.00 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 2ji8 h LEU 172 Cb 0.38 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2ji8 h LEU 172 CO 0.00 0.59 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.94 2ji8 h PHE 173 N 0.70 0.53 -0.00 1.25 0.04 -1.73 -2.84 116.94 114.89 2ji8 h PHE 173 Ca 0.18 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2ji8 h PHE 173 Cb 0.08 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2ji8 h PHE 173 CO -0.01 0.84 -0.08 0.41 -0.60 0.00 0.00 178.31 178.88 2ji8 n GLY 174 N 0.10 -0.89 3.76 -1.45 0.00 -1.25 -0.97 105.19 104.48 2ji8 n GLY 174 Ca -0.02 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2ji8 n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ji8 s GLN 175 N -2.37 3.19 0.36 1.61 -0.21 -1.07 -4.79 119.66 116.38 2ji8 s GLN 175 Ca 0.33 1.90 0.09 0.00 0.02 0.00 0.00 55.36 57.69 2ji8 s GLN 175 Cb 0.20 -2.11 -0.07 0.00 1.00 0.00 0.00 33.01 32.04 2ji8 s GLN 175 CO 0.44 -1.05 -0.06 0.95 -2.12 0.00 0.00 175.29 173.46 2ji8 s THR 176 N -1.52 2.24 -0.14 -0.19 -4.23 -1.26 -0.80 115.64 109.73 2ji8 s THR 176 Ca 0.73 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.81 2ji8 s THR 176 Cb -0.32 -2.74 0.12 0.00 1.34 0.00 0.00 72.50 70.91 2ji8 s THR 176 CO 0.36 -0.16 0.98 -0.51 -0.54 0.00 0.00 174.62 174.76 2ji8 s ILE 177 N -2.62 0.00 0.30 2.99 2.07 -0.76 -4.98 121.20 118.20 2ji8 s ILE 177 Ca 0.33 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.28 2ji8 s ILE 177 Cb 0.04 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.53 2ji8 s ILE 177 CO 0.17 0.00 1.33 -0.94 -1.91 0.00 0.00 174.94 173.59 2ji8 s SER 178 N -1.27 6.78 0.30 4.50 1.04 -1.26 -1.42 113.70 122.36 2ji8 s SER 178 Ca -0.01 2.64 0.05 0.00 0.48 0.00 0.00 55.95 59.11 2ji8 s SER 178 Cb -0.00 -2.64 0.75 0.00 0.10 0.00 0.00 66.02 64.22 2ji8 s SER 178 CO 0.01 -0.55 1.72 0.58 0.98 0.00 0.00 173.24 175.97 2ji8 h VAL 179 N 3.21 0.55 -0.92 5.02 2.07 -1.68 0.18 116.25 124.68 2ji8 h VAL 179 Ca -0.48 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2ji8 h VAL 179 Cb 1.22 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2ji8 h VAL 179 CO 0.69 0.09 0.59 -0.08 0.02 0.00 0.00 177.57 178.88 2ji8 h GLU 180 N 0.51 1.07 -0.15 1.57 4.81 -1.90 -1.47 114.58 119.02 2ji8 h GLU 180 Ca 0.57 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.62 2ji8 h GLU 180 Cb 1.04 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2ji8 h GLU 180 CO -0.48 0.71 -0.38 0.93 -0.73 0.00 0.00 179.01 179.06 2ji8 h GLU 181 N 1.10 0.52 -0.37 1.92 4.39 -1.46 -3.15 114.58 117.53 2ji8 h GLU 181 Ca 0.39 -0.36 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2ji8 h GLU 181 Cb 0.11 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 2ji8 h GLU 181 CO -0.15 0.98 0.02 0.00 -1.16 0.00 0.00 179.01 178.69 2ji8 h ALA 182 N 0.54 0.35 -0.76 3.43 0.00 -0.39 -0.97 119.26 121.46 2ji8 h ALA 182 Ca -0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ji8 h ALA 182 Cb 0.99 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2ji8 h ALA 182 CO 0.08 -0.38 0.50 -0.91 0.00 0.00 0.00 179.25 178.54 2ji8 h ASN 183 N 0.13 0.86 -0.92 0.00 -0.26 -1.36 0.60 115.58 114.63 2ji8 h ASN 183 Ca 0.18 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2ji8 h ASN 183 Cb 0.24 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.24 2ji8 h ASN 183 CO -0.28 0.62 0.51 0.50 -1.06 0.00 0.00 177.43 177.72 2ji8 h LYS 184 N 1.01 1.27 0.01 0.81 3.64 -1.43 -3.03 116.57 118.86 2ji8 h LYS 184 Ca 0.28 -0.14 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 2ji8 h LYS 184 Cb -0.09 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.46 2ji8 h LYS 184 CO -0.07 0.92 -0.92 -0.07 -2.27 0.00 0.00 179.45 177.04 2ji8 h LEU 185 N 1.28 0.13 -9.67 5.20 3.38 -0.43 -3.45 115.31 111.75 2ji8 h LEU 185 Ca 0.32 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.65 2ji8 h LEU 185 Cb 0.01 -0.04 0.04 0.00 0.09 0.00 0.00 40.66 40.76 2ji8 h LEU 185 CO -0.05 0.98 0.71 -0.76 0.09 0.00 0.00 178.44 179.41 2ji8 s LEU 186 N -7.14 4.40 0.19 1.67 1.43 0.13 -4.77 118.68 114.59 2ji8 s LEU 186 Ca -0.01 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 55.38 2ji8 s LEU 186 Cb 0.10 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.75 2ji8 s LEU 186 CO 0.82 -0.62 0.55 0.72 0.23 0.00 0.00 176.35 178.05 2ji8 s PHE 187 N 0.29 -0.24 -0.26 0.29 -0.71 -1.26 -4.94 117.98 111.15 2ji8 s PHE 187 Ca 0.59 -0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 56.38 2ji8 s PHE 187 Cb -0.39 0.45 0.02 0.00 -1.21 0.00 0.00 43.02 41.89 2ji8 s PHE 187 CO 0.38 -0.91 -0.04 0.21 -1.34 0.00 0.00 175.22 173.53 2ji8 s LYS 188 N -3.84 2.88 0.12 1.99 2.20 -1.26 -4.84 119.74 116.98 2ji8 s LYS 188 Ca 0.07 -0.96 -0.35 0.00 -0.36 0.00 0.00 55.97 54.37 2ji8 s LYS 188 Cb -0.01 -3.05 -0.17 0.00 -1.51 0.00 0.00 37.83 33.09 2ji8 s LYS 188 CO -0.05 -0.41 1.17 -2.30 -0.36 0.00 0.00 175.35 173.41 2ji8 n PRO 189 N 4.70 0.92 -2.83 4.03 -0.02 -1.26 -4.93 135.00 135.60 2ji8 n PRO 189 Ca -0.16 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 2ji8 n PRO 189 Cb 0.47 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 2ji8 n PRO 189 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ji8 s ILE 190 N 0.02 4.80 -1.00 4.25 -1.09 -1.26 -4.53 121.20 122.39 2ji8 s ILE 190 Ca 0.79 1.68 -0.06 0.00 -2.23 0.00 0.00 60.65 60.84 2ji8 s ILE 190 Cb -0.95 -4.16 -0.07 0.00 -1.58 0.00 0.00 42.46 35.70 2ji8 s ILE 190 CO 0.51 -0.10 0.87 -0.67 -1.23 0.00 0.00 174.94 174.33 2ji8 n ASP 191 N 6.09 -6.40 0.19 3.58 2.03 -1.26 -4.89 116.55 115.89 2ji8 n ASP 191 Ca 0.07 -0.67 0.14 0.00 0.52 0.00 0.00 54.79 54.85 2ji8 n ASP 191 Cb 0.47 -4.98 0.53 0.00 -0.72 0.00 0.00 41.12 36.42 2ji8 n ASP 191 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ji8 h PRO 192 N -1.03 0.00 -2.76 -0.67 0.13 -1.98 -3.30 132.00 122.39 2ji8 h PRO 192 Ca -0.58 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 63.94 2ji8 h PRO 192 Cb 1.29 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.02 2ji8 h PRO 192 CO 0.42 0.00 -0.72 0.00 -0.23 0.00 0.00 178.00 177.47 2ji8 n ALA 193 N -1.92 3.25 -1.80 -0.56 0.00 -1.26 -3.97 120.51 114.24 2ji8 n ALA 193 Ca 0.02 -4.05 -0.32 0.00 0.00 0.00 0.00 53.44 49.09 2ji8 n ALA 193 Cb 0.31 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2ji8 n ALA 193 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ji8 s PRO 194 N -1.03 3.74 0.39 0.00 0.04 -1.25 -5.02 135.00 131.87 2ji8 s PRO 194 Ca 0.29 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 2ji8 s PRO 194 Cb 0.00 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2ji8 s PRO 194 CO -0.17 -0.45 1.35 0.00 0.04 0.00 0.00 177.00 177.77 2ji8 s ALA 195 N -2.68 3.37 -0.15 8.56 0.00 -1.26 -4.95 121.76 124.65 2ji8 s ALA 195 Ca 0.59 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.88 2ji8 s ALA 195 Cb -0.11 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.52 2ji8 s ALA 195 CO 0.36 -0.87 -0.06 -0.65 0.00 0.00 0.00 175.76 174.55 2ji8 s GLN 196 N -2.14 1.42 -0.16 0.00 -1.52 -1.26 -4.99 119.66 111.01 2ji8 s GLN 196 Ca 0.55 -0.42 -0.06 0.00 -1.95 0.00 0.00 55.36 53.48 2ji8 s GLN 196 Cb -0.41 -1.86 -0.04 0.00 -0.22 0.00 0.00 33.01 30.49 2ji8 s GLN 196 CO 0.53 -0.38 0.06 0.42 -0.25 0.00 0.00 175.29 175.66 2ji8 s ILE 197 N 1.67 4.77 0.61 1.08 1.01 -1.26 -1.65 121.20 127.43 2ji8 s ILE 197 Ca 0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 2ji8 s ILE 197 Cb -0.14 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2ji8 s ILE 197 CO -0.08 0.51 1.03 -2.16 0.00 0.00 0.00 174.94 174.24 2ji8 s PRO 198 N -0.05 3.52 0.63 2.79 0.04 -1.24 -4.93 135.00 135.75 2ji8 s PRO 198 Ca 0.06 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 2ji8 s PRO 198 Cb -0.12 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2ji8 s PRO 198 CO 0.01 -0.63 1.08 0.00 0.04 0.00 0.00 177.00 177.49 2ji8 s ALA 199 N -3.00 2.62 0.24 8.56 0.00 -1.26 -4.91 121.76 124.01 2ji8 s ALA 199 Ca 0.57 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 2ji8 s ALA 199 Cb -0.12 -3.26 0.37 0.00 0.00 0.00 0.00 23.12 20.12 2ji8 s ALA 199 CO 0.49 -1.04 1.62 0.93 0.00 0.00 0.00 175.76 177.76 2ji8 h GLU 200 N 0.15 0.04 0.00 0.00 5.08 -2.00 -2.27 114.58 115.58 2ji8 h GLU 200 Ca -0.46 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2ji8 h GLU 200 Cb 1.23 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ji8 h GLU 200 CO 0.56 0.03 -0.11 0.38 -1.00 0.00 0.00 179.01 178.87 2ji8 h ASP 201 N 0.04 0.00 -0.32 1.42 2.03 -1.98 0.15 116.42 117.76 2ji8 h ASP 201 Ca 0.39 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.56 2ji8 h ASP 201 Cb 0.64 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 2ji8 h ASP 201 CO -0.73 0.11 -0.28 0.00 -1.03 0.00 0.00 179.24 177.31 2ji8 h ALA 202 N 1.89 0.47 -0.19 4.15 0.00 -1.76 -2.42 119.26 121.40 2ji8 h ALA 202 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2ji8 h ALA 202 Cb 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ji8 h ALA 202 CO 0.01 0.49 -0.10 0.82 0.00 0.00 0.00 179.25 180.47 2ji8 h ILE 203 N 0.53 1.31 -0.55 0.00 1.08 -1.20 -2.65 117.51 116.03 2ji8 h ILE 203 Ca 0.06 -1.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 2ji8 h ILE 203 Cb 0.85 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 2ji8 h ILE 203 CO 0.07 0.35 0.28 0.00 -0.69 0.00 0.00 178.15 178.16 2ji8 h ALA 204 N 0.68 1.45 -0.41 1.87 0.00 -0.77 0.19 119.26 122.27 2ji8 h ALA 204 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2ji8 h ALA 204 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2ji8 h ALA 204 CO 0.03 0.44 0.11 -0.09 0.00 0.00 0.00 179.25 179.74 2ji8 h ARG 205 N 0.77 0.65 -0.60 0.00 2.43 -1.43 -1.98 114.38 114.23 2ji8 h ARG 205 Ca 0.20 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2ji8 h ARG 205 Cb 0.06 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2ji8 h ARG 205 CO -0.03 0.66 0.26 0.00 -1.51 0.00 0.00 179.97 179.36 2ji8 h ALA 206 N 0.96 0.78 -0.49 2.80 0.00 -0.96 -2.30 119.26 120.05 2ji8 h ALA 206 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2ji8 h ALA 206 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ji8 h ALA 206 CO -0.00 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2ji8 h ALA 207 N 1.10 1.09 -0.09 0.00 0.00 -0.54 -1.86 119.26 118.97 2ji8 h ALA 207 Ca 0.20 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 2ji8 h ALA 207 Cb 0.16 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ji8 h ALA 207 CO -0.02 0.58 -0.82 -0.44 0.00 0.00 0.00 179.25 178.55 2ji8 h ASP 208 N 0.76 0.75 -0.27 0.00 3.32 -1.27 -0.01 116.42 119.71 2ji8 h ASP 208 Ca 0.15 -0.52 0.05 0.00 0.02 0.00 0.00 57.03 56.73 2ji8 h ASP 208 Cb 0.45 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 2ji8 h ASP 208 CO 0.02 1.30 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.72 2ji8 h LEU 209 N 0.41 -0.22 -0.30 1.55 3.38 -1.20 -2.39 115.31 116.53 2ji8 h LEU 209 Ca -0.06 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2ji8 h LEU 209 Cb 1.43 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2ji8 h LEU 209 CO 0.16 -0.08 0.09 0.40 0.09 0.00 0.00 178.44 179.10 2ji8 h ILE 210 N 0.01 1.20 -0.61 1.22 2.04 -1.25 -2.63 117.51 117.50 2ji8 h ILE 210 Ca 0.13 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.38 2ji8 h ILE 210 Cb 0.19 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2ji8 h ILE 210 CO -0.26 0.22 0.35 0.11 0.00 0.00 0.00 178.15 178.56 2ji8 h LYS 211 N 0.33 0.64 -0.17 2.37 1.57 -0.89 -2.08 116.57 118.34 2ji8 h LYS 211 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ji8 h LYS 211 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2ji8 h LYS 211 CO -0.00 0.43 0.00 0.09 -0.57 0.00 0.00 179.45 179.39 2ji8 n ASN 212 N -4.79 1.57 -4.77 0.86 3.02 -0.91 -4.90 115.26 105.34 2ji8 n ASN 212 Ca 0.07 -1.71 -0.39 0.00 -0.03 0.00 0.00 54.58 52.52 2ji8 n ASN 212 Cb 0.13 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2ji8 n ASN 212 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ji8 s ALA 213 N -1.79 3.13 -0.18 5.41 0.00 -0.79 -4.96 121.76 122.59 2ji8 s ALA 213 Ca 0.31 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.50 2ji8 s ALA 213 Cb 0.17 -3.45 -0.18 0.00 0.00 0.00 0.00 23.12 19.66 2ji8 s ALA 213 CO 0.25 -0.79 -0.03 1.63 0.00 0.00 0.00 175.76 176.82 2ji8 n LYS 214 N -0.14 1.07 -3.17 0.00 4.76 -1.26 -4.76 118.16 114.65 2ji8 n LYS 214 Ca 0.05 0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.32 2ji8 n LYS 214 Cb 0.45 -1.41 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 2ji8 n LYS 214 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ji8 n ARG 215 N -2.78 1.29 -1.92 1.97 1.74 -1.26 -4.48 116.66 111.23 2ji8 n ARG 215 Ca -0.30 -3.61 -0.32 0.00 -0.77 0.00 0.00 57.85 52.86 2ji8 n ARG 215 Cb 0.98 -1.69 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 2ji8 n ARG 215 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2ji8 s PRO 216 N -2.26 3.39 -0.03 5.56 0.04 -1.26 -1.81 135.00 138.63 2ji8 s PRO 216 Ca 0.40 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 2ji8 s PRO 216 Cb 0.28 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.79 2ji8 s PRO 216 CO -0.09 -0.74 0.21 0.54 0.04 0.00 0.00 177.00 176.95 2ji8 s VAL 217 N -2.85 0.05 -0.21 -0.36 0.11 -0.37 -4.29 120.40 112.48 2ji8 s VAL 217 Ca 0.59 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 59.16 2ji8 s VAL 217 Cb -0.13 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2ji8 s VAL 217 CO 0.46 -0.25 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.26 2ji8 s ILE 218 N -0.97 3.02 -0.28 7.04 1.01 -0.50 -0.55 121.20 129.98 2ji8 s ILE 218 Ca -0.10 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2ji8 s ILE 218 Cb -0.05 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2ji8 s ILE 218 CO 0.02 0.45 0.29 -0.04 0.00 0.00 0.00 174.94 175.66 2ji8 s MET 219 N 1.43 3.93 -0.24 2.79 -1.94 0.93 -0.15 119.30 126.04 2ji8 s MET 219 Ca 0.06 -0.17 -0.09 0.00 -1.71 0.00 0.00 55.69 53.78 2ji8 s MET 219 Cb -0.14 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 2ji8 s MET 219 CO -0.06 -0.26 0.11 -0.51 -0.01 0.00 0.00 175.02 174.29 2ji8 s LEU 220 N 1.93 3.72 0.52 -0.03 1.43 0.44 -1.25 118.68 125.44 2ji8 s LEU 220 Ca 0.11 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 2ji8 s LEU 220 Cb -0.16 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.11 2ji8 s LEU 220 CO 0.11 0.01 0.60 -0.83 0.23 0.00 0.00 176.35 176.46 2ji8 s GLY 221 N 1.39 1.98 0.44 -3.19 0.00 -0.79 -0.45 107.32 106.70 2ji8 s GLY 221 Ca 0.06 -1.82 0.30 0.00 0.00 0.00 0.00 44.72 43.26 2ji8 s GLY 221 CO 0.05 -1.71 1.90 0.07 0.00 0.00 0.00 173.10 173.41 2ji8 h LYS 222 N 0.52 0.00 -0.95 2.90 2.10 -1.85 -0.75 116.57 118.54 2ji8 h LYS 222 Ca -0.35 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2ji8 h LYS 222 Cb 1.29 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.57 2ji8 h LYS 222 CO 0.48 0.00 0.59 0.78 -2.00 0.00 0.00 179.45 179.30 2ji8 h GLY 223 N 1.69 1.37 1.69 0.07 0.00 -1.61 0.17 103.07 106.45 2ji8 h GLY 223 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 2ji8 h GLY 223 CO 0.00 0.54 -0.49 0.00 0.00 0.00 0.00 176.54 176.59 2ji8 h ALA 224 N 1.33 0.93 -0.22 3.60 0.00 -1.24 -2.67 119.26 120.98 2ji8 h ALA 224 Ca 0.34 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2ji8 h ALA 224 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2ji8 h ALA 224 CO -0.07 0.66 -0.43 0.00 0.00 0.00 0.00 179.25 179.40 2ji8 h ALA 225 N 1.22 0.35 -0.24 0.00 0.00 -1.35 -3.17 119.26 116.07 2ji8 h ALA 225 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2ji8 h ALA 225 Cb 0.96 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ji8 h ALA 225 CO 0.08 0.48 0.16 -0.92 0.00 0.00 0.00 179.25 179.05 2ji8 h TYR 226 N 0.39 0.26 0.00 0.00 3.20 -0.58 -2.98 116.97 117.26 2ji8 h TYR 226 Ca 0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2ji8 h TYR 226 Cb 1.04 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2ji8 h TYR 226 CO 0.09 0.16 -0.03 0.00 -1.64 0.00 0.00 178.16 176.74 2ji8 h ALA 227 N 1.86 1.08 -6.02 1.82 0.00 -1.44 -3.46 119.26 113.09 2ji8 h ALA 227 Ca 0.09 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.59 2ji8 h ALA 227 Cb 0.03 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.92 2ji8 h ALA 227 CO -0.02 0.04 -0.89 1.04 0.00 0.00 0.00 179.25 179.41 2ji8 n GLN 228 N -3.24 -2.45 -2.99 0.00 6.02 -1.13 -4.91 117.38 108.68 2ji8 n GLN 228 Ca -0.02 0.59 -0.18 0.00 -0.01 0.00 0.00 57.00 57.38 2ji8 n GLN 228 Cb 0.19 -4.79 -0.02 0.00 1.02 0.00 0.00 30.24 26.64 2ji8 n GLN 228 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ji8 h ASP 230 N 2.97 0.65 0.42 0.00 3.32 -1.92 -2.37 116.42 119.50 2ji8 h ASP 230 Ca 0.08 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 56.79 2ji8 h ASP 230 Cb 0.93 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2ji8 h ASP 230 CO 0.58 0.70 -0.88 0.44 -1.72 0.00 0.00 179.24 178.35 2ji8 h ASP 231 N 0.66 0.42 -0.06 6.45 3.32 -1.93 -1.44 116.42 123.83 2ji8 h ASP 231 Ca 0.14 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 2ji8 h ASP 231 Cb 0.35 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2ji8 h ASP 231 CO 0.01 1.11 0.04 -0.33 -1.72 0.00 0.00 179.24 178.35 2ji8 h GLU 232 N 0.19 0.09 -0.58 3.56 4.39 -1.90 -0.22 114.58 120.10 2ji8 h GLU 232 Ca -0.06 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 2ji8 h GLU 232 Cb 1.51 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 2ji8 h GLU 232 CO 0.15 0.11 0.00 0.82 -1.16 0.00 0.00 179.01 178.93 2ji8 h ILE 233 N 0.04 1.26 -0.41 3.13 2.04 -1.42 -1.09 117.51 121.06 2ji8 h ILE 233 Ca 0.02 -1.12 -0.15 0.00 1.00 0.00 0.00 64.86 64.61 2ji8 h ILE 233 Cb 0.05 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2ji8 h ILE 233 CO -0.00 0.41 -0.34 -0.09 0.00 0.00 0.00 178.15 178.12 2ji8 h ARG 234 N 0.93 0.96 -0.27 2.37 2.43 -1.24 -2.47 114.38 117.09 2ji8 h ARG 234 Ca 0.17 -0.48 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 2ji8 h ARG 234 Cb 0.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2ji8 h ARG 234 CO 0.03 1.14 -0.08 0.00 -1.51 0.00 0.00 179.97 179.55 2ji8 h ALA 235 N 0.80 1.36 -0.27 2.80 0.00 -0.83 -1.31 119.26 121.81 2ji8 h ALA 235 Ca 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2ji8 h ALA 235 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2ji8 h ALA 235 CO 0.09 0.44 0.04 1.25 0.00 0.00 0.00 179.25 181.06 2ji8 h LEU 236 N 0.41 0.43 0.00 0.00 5.85 -1.09 -2.31 115.31 118.61 2ji8 h LEU 236 Ca 0.08 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2ji8 h LEU 236 Cb 0.40 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2ji8 h LEU 236 CO 0.02 0.59 -0.00 0.58 -0.34 0.00 0.00 178.44 179.29 2ji8 h VAL 237 N 0.26 1.07 0.00 1.05 2.07 -1.16 -2.78 116.25 116.76 2ji8 h VAL 237 Ca 0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2ji8 h VAL 237 Cb 0.35 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2ji8 h VAL 237 CO 0.01 0.06 0.00 -0.33 0.02 0.00 0.00 177.57 177.32 2ji8 h GLU 238 N -0.10 0.00 0.08 1.57 5.08 -1.27 -1.16 114.58 118.79 2ji8 h GLU 238 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2ji8 h GLU 238 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2ji8 h GLU 238 CO 0.00 0.00 -1.89 0.39 -1.00 0.00 0.00 179.01 176.51 2ji8 n GLU 239 N -2.77 0.71 0.13 2.33 1.02 -0.87 -4.14 120.64 117.05 2ji8 n GLU 239 Ca 0.02 0.28 0.01 0.00 -0.02 0.00 0.00 57.16 57.45 2ji8 n GLU 239 Cb 0.35 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2ji8 n GLU 239 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2ji8 h THR 240 N 0.05 0.92 -0.33 2.62 1.35 -1.51 -3.43 112.91 112.58 2ji8 h THR 240 Ca -0.37 -2.32 -0.14 0.00 -0.55 0.00 0.00 66.41 63.03 2ji8 h THR 240 Cb 2.03 2.44 -0.06 0.00 -1.73 0.00 0.00 68.15 70.83 2ji8 h THR 240 CO 0.09 0.52 -0.13 0.61 -0.25 0.00 0.00 175.52 176.36 2ji8 n GLY 241 N 1.25 0.91 3.73 5.82 0.00 -0.44 -0.74 105.19 115.71 2ji8 n GLY 241 Ca 0.01 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 2ji8 n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ji8 s ILE 242 N -2.23 4.84 0.32 -0.61 1.01 -1.20 -4.24 121.20 119.08 2ji8 s ILE 242 Ca 0.00 1.70 -0.28 0.00 0.00 0.00 0.00 60.65 62.07 2ji8 s ILE 242 Cb 0.00 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 2ji8 s ILE 242 CO 0.00 0.28 1.19 -2.65 0.00 0.00 0.00 174.94 173.76 2ji8 n PRO 243 N 3.34 1.83 -4.43 2.79 -0.02 -1.26 -4.80 135.00 132.44 2ji8 n PRO 243 Ca 0.00 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.91 2ji8 n PRO 243 Cb 0.51 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 2ji8 n PRO 243 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2ji8 s PHE 244 N -1.02 1.97 -0.11 6.00 -0.71 -0.60 -1.40 117.98 122.11 2ji8 s PHE 244 Ca 0.57 -0.70 -0.05 0.00 -1.04 0.00 0.00 56.93 55.72 2ji8 s PHE 244 Cb -0.62 -1.13 0.05 0.00 -1.21 0.00 0.00 43.02 40.11 2ji8 s PHE 244 CO 0.61 0.29 0.24 -0.51 -1.34 0.00 0.00 175.22 174.50 2ji8 s LEU 245 N -3.45 0.21 -0.02 -1.99 1.43 0.78 -0.65 118.68 114.99 2ji8 s LEU 245 Ca 0.30 0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2ji8 s LEU 245 Cb 0.04 0.66 -0.05 0.00 0.03 0.00 0.00 46.19 46.87 2ji8 s LEU 245 CO 0.12 -0.19 0.26 -2.16 0.23 0.00 0.00 176.35 174.61 2ji8 s PRO 246 N 1.63 3.59 0.96 1.29 0.04 -1.26 -0.42 135.00 140.83 2ji8 s PRO 246 Ca -0.06 -0.02 -0.14 0.00 0.04 0.00 0.00 61.00 60.82 2ji8 s PRO 246 Cb -0.11 -3.12 0.17 0.00 0.04 0.00 0.00 34.50 31.48 2ji8 s PRO 246 CO -0.08 0.68 1.18 -1.64 0.04 0.00 0.00 177.00 177.19 2ji8 s MET 247 N -1.50 0.75 0.23 4.56 -1.94 0.41 -4.76 119.30 117.05 2ji8 s MET 247 Ca 0.24 0.04 -0.09 0.00 -1.71 0.00 0.00 55.69 54.17 2ji8 s MET 247 Cb -0.13 -1.82 0.37 0.00 2.01 0.00 0.00 34.83 35.26 2ji8 s MET 247 CO 0.13 -2.41 1.64 0.78 -0.01 0.00 0.00 175.02 175.14 2ji8 h GLY 248 N -1.65 0.73 -1.33 -0.03 0.00 -1.99 0.50 103.07 99.30 2ji8 h GLY 248 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2ji8 h GLY 248 CO 0.52 -0.26 0.00 1.03 0.00 0.00 0.00 176.54 177.83 2ji8 n MET 249 N -5.35 2.04 0.00 4.80 2.81 -1.26 -3.67 117.12 116.49 2ji8 n MET 249 Ca 0.11 -1.53 0.13 0.00 -1.81 0.00 0.00 57.70 54.60 2ji8 n MET 249 Cb 0.42 -1.46 0.38 0.00 -0.71 0.00 0.00 33.22 31.84 2ji8 n MET 249 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ji8 n ALA 250 N 0.81 3.10 -1.67 3.04 0.00 0.14 -4.67 120.51 121.27 2ji8 n ALA 250 Ca 0.17 -0.39 -0.46 0.00 0.00 0.00 0.00 53.44 52.76 2ji8 n ALA 250 Cb 0.47 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 2ji8 n ALA 250 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ji8 n LYS 251 N -0.74 2.10 0.00 0.00 5.02 -1.02 -2.24 118.16 121.28 2ji8 n LYS 251 Ca 0.12 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2ji8 n LYS 251 Cb 0.34 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 2ji8 n LYS 251 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ji8 n GLY 252 N 3.18 1.64 0.43 0.72 0.00 -1.23 -4.50 105.19 105.43 2ji8 n GLY 252 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 2ji8 n GLY 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ji8 h LEU 253 N 0.00 -1.15 -9.93 0.99 5.85 -1.67 -2.19 115.31 107.21 2ji8 h LEU 253 Ca 0.00 0.10 -0.59 0.00 0.84 0.00 0.00 57.88 58.23 2ji8 h LEU 253 Cb 0.00 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2ji8 h LEU 253 CO 0.00 -0.57 -0.34 -0.76 -0.34 0.00 0.00 178.44 176.43 2ji8 s LEU 254 N -10.17 4.29 0.33 2.25 1.02 -1.26 -4.72 118.68 110.42 2ji8 s LEU 254 Ca -0.17 0.54 -0.29 0.00 0.02 0.00 0.00 54.13 54.23 2ji8 s LEU 254 Cb 0.05 -3.21 -0.12 0.00 0.02 0.00 0.00 46.19 42.93 2ji8 s LEU 254 CO 0.62 0.08 1.50 -2.65 0.02 0.00 0.00 176.35 175.92 2ji8 n PRO 255 N 0.20 2.57 0.26 1.29 -0.02 -1.26 -4.85 135.00 133.20 2ji8 n PRO 255 Ca -0.03 0.91 0.18 0.00 -2.02 0.00 0.00 63.50 62.53 2ji8 n PRO 255 Cb 0.52 -2.63 0.86 0.00 -0.02 0.00 0.00 33.50 32.22 2ji8 n PRO 255 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2ji8 h ASP 256 N 3.66 0.00 -0.56 2.55 5.19 -1.41 0.12 116.42 125.97 2ji8 h ASP 256 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2ji8 h ASP 256 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2ji8 h ASP 256 CO 0.70 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.36 2ji8 n ASN 257 N -2.84 3.10 -4.63 6.45 2.04 -1.26 -4.87 115.26 113.25 2ji8 n ASN 257 Ca -0.01 -1.99 -0.46 0.00 -0.44 0.00 0.00 54.58 51.68 2ji8 n ASN 257 Cb 0.16 -0.37 -0.03 0.00 -2.53 0.00 0.00 39.78 37.01 2ji8 n ASN 257 CO 0.00 0.00 0.00 1.57 -0.44 0.00 0.00 177.26 178.39 2ji8 n HIS 258 N 1.20 1.80 0.33 -2.53 -0.00 0.40 -4.86 115.22 111.56 2ji8 n HIS 258 Ca 0.19 0.55 0.22 0.00 0.46 0.00 0.00 57.72 59.14 2ji8 n HIS 258 Cb 0.50 -2.38 1.13 0.00 -0.12 0.00 0.00 29.99 29.12 2ji8 n HIS 258 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ji8 h PRO 259 N 3.57 0.00 -0.12 1.57 0.13 -1.93 -1.48 132.00 133.74 2ji8 h PRO 259 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2ji8 h PRO 259 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ji8 h PRO 259 CO 0.71 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.52 2ji8 n GLN 260 N -3.07 1.68 -2.44 0.86 6.02 -1.26 -4.89 117.38 114.28 2ji8 n GLN 260 Ca -0.02 -1.01 -0.43 0.00 -0.01 0.00 0.00 57.00 55.53 2ji8 n GLN 260 Cb 0.11 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 2ji8 n GLN 260 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ji8 s SER 261 N -1.68 6.98 -0.21 1.08 0.15 -0.56 -1.56 113.70 117.90 2ji8 s SER 261 Ca 0.34 1.72 0.14 0.00 0.70 0.00 0.00 55.95 58.85 2ji8 s SER 261 Cb 0.18 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.72 2ji8 s SER 261 CO 0.28 -0.71 1.68 0.00 1.20 0.00 0.00 173.24 175.70 2ji8 n ALA 262 N 6.18 3.73 -0.23 5.45 0.00 0.17 -4.65 120.51 131.16 2ji8 n ALA 262 Ca 0.13 -1.79 -0.06 0.00 0.00 0.00 0.00 53.44 51.72 2ji8 n ALA 262 Cb 0.45 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.84 2ji8 n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ji8 h ALA 263 N 3.96 0.83 0.00 0.00 0.00 -1.91 -2.21 119.26 119.93 2ji8 h ALA 263 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ji8 h ALA 263 Cb 1.85 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2ji8 h ALA 263 CO 0.44 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2ji8 n ALA 264 N -2.30 2.10 -2.75 0.00 0.00 -1.26 -2.73 120.51 113.57 2ji8 n ALA 264 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 2ji8 n ALA 264 Cb 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2ji8 n ALA 264 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ji8 n THR 265 N -1.18 1.38 -0.08 0.00 5.66 -0.84 -4.71 114.28 114.52 2ji8 n THR 265 Ca 0.11 -4.15 -0.11 0.00 -3.05 0.00 0.00 64.05 56.85 2ji8 n THR 265 Cb 0.12 -0.27 -0.04 0.00 -1.55 0.00 0.00 70.33 68.58 2ji8 n THR 265 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2ji8 h ARG 266 N 2.89 0.40 0.01 1.09 2.43 -1.43 -2.73 114.38 117.04 2ji8 h ARG 266 Ca 0.07 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2ji8 h ARG 266 Cb 0.99 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 2ji8 h ARG 266 CO 0.63 0.57 -0.21 0.00 -1.51 0.00 0.00 179.97 179.45 2ji8 h ALA 267 N 0.82 -0.28 -0.19 2.80 0.00 -1.90 -1.59 119.26 118.91 2ji8 h ALA 267 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ji8 h ALA 267 Cb 0.37 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2ji8 h ALA 267 CO 0.01 -0.71 -0.08 0.35 0.00 0.00 0.00 179.25 178.81 2ji8 h PHE 268 N -0.34 0.31 -0.10 0.00 3.57 -1.93 -0.16 116.94 118.29 2ji8 h PHE 268 Ca 0.06 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2ji8 h PHE 268 Cb 0.41 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2ji8 h PHE 268 CO -0.25 0.39 -0.16 0.00 -2.23 0.00 0.00 178.31 176.06 2ji8 h ALA 269 N 1.63 0.16 -0.20 2.41 0.00 -1.10 -1.81 119.26 120.34 2ji8 h ALA 269 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2ji8 h ALA 269 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ji8 h ALA 269 CO 0.02 0.06 -0.11 -0.07 0.00 0.00 0.00 179.25 179.15 2ji8 h LEU 270 N -0.15 0.44 -1.60 0.00 3.38 -1.20 -1.74 115.31 114.44 2ji8 h LEU 270 Ca 0.01 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2ji8 h LEU 270 Cb 0.73 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2ji8 h LEU 270 CO 0.04 0.76 0.30 0.00 0.09 0.00 0.00 178.44 179.63 2ji8 h ALA 271 N 0.69 1.76 0.00 1.53 0.00 -0.72 -3.28 119.26 119.25 2ji8 h ALA 271 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ji8 h ALA 271 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ji8 h ALA 271 CO 0.03 0.20 -0.63 1.04 0.00 0.00 0.00 179.25 179.89 2ji8 n GLN 272 N -4.48 2.71 -1.04 0.00 1.13 -0.68 -4.00 117.38 111.02 2ji8 n GLN 272 Ca 0.04 -0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.79 2ji8 n GLN 272 Cb 0.12 -1.11 0.12 0.00 0.11 0.00 0.00 30.24 29.48 2ji8 n GLN 272 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ji8 n ASP 274 N -3.73 2.00 -4.55 0.00 5.75 -0.75 -5.00 116.55 110.27 2ji8 n ASP 274 Ca 0.11 0.06 -0.34 0.00 -0.01 0.00 0.00 54.79 54.60 2ji8 n ASP 274 Cb 0.52 -0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 40.14 2ji8 n ASP 274 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ji8 s VAL 275 N -2.30 3.92 -0.15 2.12 1.01 -1.25 -1.80 120.40 121.94 2ji8 s VAL 275 Ca -0.21 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2ji8 s VAL 275 Cb 0.07 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2ji8 s VAL 275 CO 0.32 0.53 -0.11 0.00 0.00 0.00 0.00 175.10 175.84 2ji8 s VAL 277 N 1.55 5.14 -0.22 0.00 1.01 0.29 -1.61 120.40 126.56 2ji8 s VAL 277 Ca 0.04 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 2ji8 s VAL 277 Cb -0.14 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2ji8 s VAL 277 CO -0.09 -0.61 0.66 -0.76 0.00 0.00 0.00 175.10 174.30 2ji8 s LEU 278 N 1.91 4.10 -0.36 3.92 1.43 0.80 -0.05 118.68 130.43 2ji8 s LEU 278 Ca 0.07 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 2ji8 s LEU 278 Cb -0.22 -2.93 0.10 0.00 0.03 0.00 0.00 46.19 43.17 2ji8 s LEU 278 CO 0.08 -0.35 0.07 -0.63 0.23 0.00 0.00 176.35 175.76 2ji8 s ILE 279 N 2.28 2.27 -0.62 -0.59 1.01 -0.38 -0.84 121.20 124.33 2ji8 s ILE 279 Ca 0.29 -2.42 -0.02 0.00 0.00 0.00 0.00 60.65 58.50 2ji8 s ILE 279 Cb -0.16 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.64 2ji8 s ILE 279 CO 0.09 -0.62 0.27 0.61 0.00 0.00 0.00 174.94 175.29 2ji8 n GLY 280 N 4.16 0.22 2.81 6.18 0.00 -1.00 -1.88 105.19 115.67 2ji8 n GLY 280 Ca 0.04 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2ji8 n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ji8 s ALA 281 N -2.82 0.02 0.10 4.61 0.00 -1.26 -1.66 121.76 120.75 2ji8 s ALA 281 Ca 0.13 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2ji8 s ALA 281 Cb -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 2ji8 s ALA 281 CO 0.16 -0.10 0.45 1.03 0.00 0.00 0.00 175.76 177.30 2ji8 s ARG 282 N 0.97 3.83 -1.42 0.00 0.52 -1.26 -4.94 118.95 116.66 2ji8 s ARG 282 Ca -0.08 0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 55.34 2ji8 s ARG 282 Cb -0.11 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.39 2ji8 s ARG 282 CO -0.03 0.53 2.72 -0.11 0.02 0.00 0.00 175.30 178.43 2ji8 n LEU 283 N 0.86 8.32 0.00 2.53 7.94 -1.26 -4.63 117.00 130.75 2ji8 n LEU 283 Ca -0.07 -4.57 0.00 0.00 -1.11 0.00 0.00 56.01 50.27 2ji8 n LEU 283 Cb 0.52 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.01 2ji8 n LEU 283 CO 0.42 2.06 0.00 -0.46 -1.11 0.00 0.00 177.39 178.30 2ji8 n ASN 284 N 2.66 0.00 0.07 1.96 0.23 -1.26 -4.10 115.26 114.82 2ji8 n ASN 284 Ca 0.70 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.77 2ji8 n ASN 284 Cb 0.26 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.35 2ji8 n ASN 284 CO 0.00 0.00 0.00 4.11 -0.93 0.00 0.00 177.26 180.44 2ji8 h TRP 285 N 0.00 0.37 0.00 -2.53 5.08 -1.94 0.16 115.95 117.08 2ji8 h TRP 285 Ca 0.00 -0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.94 2ji8 h TRP 285 Cb 0.00 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 26.05 2ji8 h TRP 285 CO 0.00 0.38 -0.02 -0.07 -1.28 0.00 0.00 178.44 177.45 2ji8 h LEU 286 N 0.35 0.00 -3.17 0.11 3.38 -1.94 -1.34 115.31 112.70 2ji8 h LEU 286 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ji8 h LEU 286 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2ji8 h LEU 286 CO 0.01 0.02 -0.06 0.23 0.09 0.00 0.00 178.44 178.73 2ji8 n MET 287 N -3.51 2.06 -2.07 1.13 2.81 -0.68 -4.97 117.12 111.88 2ji8 n MET 287 Ca -0.03 -2.86 -0.18 0.00 -1.81 0.00 0.00 57.70 52.83 2ji8 n MET 287 Cb 0.12 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 30.89 2ji8 n MET 287 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2ji8 n GLN 288 N -0.99 -1.70 -1.97 0.03 3.00 -0.51 -1.97 117.38 113.28 2ji8 n GLN 288 Ca 0.22 0.93 -0.19 0.00 -0.01 0.00 0.00 57.00 57.94 2ji8 n GLN 288 Cb 0.82 -5.45 -0.05 0.00 0.00 0.00 0.00 30.24 25.56 2ji8 n GLN 288 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2ji8 n HIS 289 N -3.17 -0.58 -1.32 1.08 8.25 -0.04 -1.84 115.22 117.60 2ji8 n HIS 289 Ca -0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.15 2ji8 n HIS 289 Cb 0.63 -3.49 -0.05 0.00 1.12 0.00 0.00 29.99 28.20 2ji8 n HIS 289 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ji8 n GLY 290 N -0.66 1.21 3.39 -1.41 0.00 -0.83 -4.54 105.19 102.35 2ji8 n GLY 290 Ca -0.21 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2ji8 n GLY 290 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ji8 s LYS 291 N -2.93 1.45 0.31 1.61 -2.85 -0.77 -4.81 119.74 111.76 2ji8 s LYS 291 Ca 0.00 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.44 2ji8 s LYS 291 Cb 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 2ji8 s LYS 291 CO 0.00 -0.55 0.00 0.41 0.10 0.00 0.00 175.35 175.31 2ji8 n GLY 292 N -0.37 -1.79 0.37 0.59 0.00 -1.26 -4.46 105.19 98.27 2ji8 n GLY 292 Ca 0.01 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.26 2ji8 n GLY 292 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ji8 h LYS 293 N 0.00 0.55 0.00 1.61 2.10 -1.97 -1.16 116.57 117.70 2ji8 h LYS 293 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2ji8 h LYS 293 Cb 0.00 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 2ji8 h LYS 293 CO 0.00 0.36 0.00 1.79 -2.00 0.00 0.00 179.45 179.60 2ji8 h THR 294 N 0.57 0.00 -0.26 0.07 1.35 -1.96 -2.22 112.91 110.46 2ji8 h THR 294 Ca 0.39 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.77 2ji8 h THR 294 Cb 0.71 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2ji8 h THR 294 CO -0.15 0.00 -0.00 0.79 -0.25 0.00 0.00 175.52 175.91 2ji8 n TRP 295 N -2.63 0.91 -1.15 4.73 7.02 -1.03 -2.51 117.44 122.78 2ji8 n TRP 295 Ca 0.02 -1.00 -0.05 0.00 -1.02 0.00 0.00 57.50 55.46 2ji8 n TRP 295 Cb 0.32 -0.33 -0.02 0.00 -2.42 0.00 0.00 31.31 28.85 2ji8 n TRP 295 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2ji8 n GLY 296 N -0.67 0.76 3.79 6.99 0.00 -0.83 -3.43 105.19 111.79 2ji8 n GLY 296 Ca 0.23 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2ji8 n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ji8 n ASP 297 N 0.37 -5.30 -4.18 1.61 8.00 -0.47 -4.99 116.55 111.59 2ji8 n ASP 297 Ca -0.05 -0.69 -0.11 0.00 0.71 0.00 0.00 54.79 54.65 2ji8 n ASP 297 Cb 0.23 -4.21 -0.10 0.00 -0.02 0.00 0.00 41.12 37.02 2ji8 n ASP 297 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2ji8 s GLU 298 N -6.50 0.99 -0.31 -1.24 -1.05 -1.22 -5.00 118.70 104.36 2ji8 s GLU 298 Ca 0.63 -1.47 -0.19 0.00 -0.15 0.00 0.00 54.97 53.80 2ji8 s GLU 298 Cb -0.31 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.43 2ji8 s GLU 298 CO 0.78 -0.21 0.54 -1.17 0.95 0.00 0.00 175.26 176.15 2ji8 s LEU 299 N -3.09 4.20 0.67 1.83 2.96 -1.26 -4.89 118.68 119.09 2ji8 s LEU 299 Ca 0.24 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.29 2ji8 s LEU 299 Cb 0.07 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 2ji8 s LEU 299 CO 0.02 -0.43 1.05 -0.54 -1.32 0.00 0.00 176.35 175.14 2ji8 s LYS 300 N 2.44 3.15 -0.36 1.98 -0.14 -1.26 -5.01 119.74 120.54 2ji8 s LYS 300 Ca 0.21 0.78 -0.26 0.00 -1.36 0.00 0.00 55.97 55.35 2ji8 s LYS 300 Cb -0.15 -2.03 0.01 0.00 -1.68 0.00 0.00 37.83 33.98 2ji8 s LYS 300 CO 0.12 -0.90 0.93 0.15 -0.76 0.00 0.00 175.35 174.89 2ji8 s LYS 301 N -5.15 3.88 -0.17 1.68 1.02 -0.75 -4.86 119.74 115.40 2ji8 s LYS 301 Ca 0.57 0.64 -0.08 0.00 0.02 0.00 0.00 55.97 57.12 2ji8 s LYS 301 Cb -0.12 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 2ji8 s LYS 301 CO 0.54 -0.91 0.09 0.71 -0.92 0.00 0.00 175.35 174.86 2ji8 s TYR 302 N 3.44 3.34 -0.17 3.18 2.02 -1.26 -1.37 117.35 126.53 2ji8 s TYR 302 Ca 0.38 0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 57.21 2ji8 s TYR 302 Cb -0.12 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2ji8 s TYR 302 CO 0.18 0.29 0.14 0.08 -1.57 0.00 0.00 175.55 174.67 2ji8 s VAL 303 N 0.09 5.44 -0.05 0.71 1.01 -0.64 -1.04 120.40 125.93 2ji8 s VAL 303 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2ji8 s VAL 303 Cb -0.12 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2ji8 s VAL 303 CO 0.00 0.50 -0.03 -1.58 0.00 0.00 0.00 175.10 174.00 2ji8 s GLN 304 N -0.14 0.68 -0.26 2.72 0.74 -0.88 -0.14 119.66 122.38 2ji8 s GLN 304 Ca 0.11 -0.03 -0.07 0.00 0.05 0.00 0.00 55.36 55.42 2ji8 s GLN 304 Cb -0.11 -0.80 -0.02 0.00 1.10 0.00 0.00 33.01 33.18 2ji8 s GLN 304 CO 0.00 -0.14 0.06 0.42 -0.55 0.00 0.00 175.29 175.08 2ji8 s ILE 305 N 1.16 4.12 -0.03 -2.34 1.01 -0.02 -0.82 121.20 124.27 2ji8 s ILE 305 Ca -0.07 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 2ji8 s ILE 305 Cb -0.14 -2.97 0.05 0.00 0.01 0.00 0.00 42.46 39.41 2ji8 s ILE 305 CO -0.01 0.28 0.51 -0.62 0.00 0.00 0.00 174.94 175.10 2ji8 s ASP 306 N 1.57 -0.44 0.42 3.58 -1.08 -1.00 -2.37 116.67 117.36 2ji8 s ASP 306 Ca 0.05 0.42 0.23 0.00 -0.52 0.00 0.00 52.55 52.73 2ji8 s ASP 306 Cb -0.15 0.43 0.32 0.00 -1.46 0.00 0.00 42.92 42.05 2ji8 s ASP 306 CO 0.02 -0.54 1.58 -0.29 0.52 0.00 0.00 175.17 176.47 2ji8 h ILE 307 N 3.39 0.04 -3.34 4.11 2.10 -1.83 -1.79 117.51 120.20 2ji8 h ILE 307 Ca -0.28 -1.06 -0.72 0.00 1.08 0.00 0.00 64.86 63.88 2ji8 h ILE 307 Cb 1.16 2.01 -0.21 0.00 -1.09 0.00 0.00 36.82 38.69 2ji8 h ILE 307 CO 0.40 0.03 -0.21 -1.58 -1.08 0.00 0.00 178.15 175.70 2ji8 s GLN 308 N -3.20 3.04 0.21 2.19 2.00 -1.26 -4.58 119.66 118.05 2ji8 s GLN 308 Ca 0.07 -1.11 -0.09 0.00 -2.00 0.00 0.00 55.36 52.23 2ji8 s GLN 308 Cb 0.05 -4.09 0.25 0.00 0.80 0.00 0.00 33.01 30.03 2ji8 s GLN 308 CO 0.68 -1.04 1.80 0.00 -0.50 0.00 0.00 175.29 176.23 2ji8 h ALA 309 N 8.81 0.89 -0.05 1.58 0.00 -1.99 -2.17 119.26 126.32 2ji8 h ALA 309 Ca -0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ji8 h ALA 309 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ji8 h ALA 309 CO 0.88 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.41 2ji8 n ASN 310 N -4.82 0.35 0.19 0.00 6.94 -1.26 -2.55 115.26 114.12 2ji8 n ASN 310 Ca 0.09 -1.64 0.06 0.00 -0.02 0.00 0.00 54.58 53.06 2ji8 n ASN 310 Cb 0.19 -0.03 0.37 0.00 -2.36 0.00 0.00 39.78 37.95 2ji8 n ASN 310 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2ji8 h GLU 311 N 0.44 0.00 -6.95 -3.83 4.57 -1.82 -3.42 114.58 103.57 2ji8 h GLU 311 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 2ji8 h GLU 311 Cb 0.10 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 28.78 2ji8 h GLU 311 CO 0.00 0.36 0.64 -1.64 -1.18 0.00 0.00 179.01 177.19 2ji8 s MET 312 N -3.72 3.93 -1.08 1.92 -1.94 -1.06 -2.11 119.30 115.25 2ji8 s MET 312 Ca -0.00 2.23 0.00 0.00 -1.71 0.00 0.00 55.69 56.21 2ji8 s MET 312 Cb 0.12 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 34.20 2ji8 s MET 312 CO 0.68 -0.55 0.00 -0.25 -0.01 0.00 0.00 175.02 174.89 2ji8 n ASP 313 N 0.10 -5.69 0.26 3.03 8.00 -1.25 -4.86 116.55 116.14 2ji8 n ASP 313 Ca 0.04 0.25 0.10 0.00 0.71 0.00 0.00 54.79 55.89 2ji8 n ASP 313 Cb 0.43 -4.08 0.71 0.00 -0.02 0.00 0.00 41.12 38.15 2ji8 n ASP 313 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2ji8 h SER 314 N 0.00 0.00 0.00 -2.24 4.64 -1.67 -3.40 113.55 110.89 2ji8 h SER 314 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2ji8 h SER 314 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ji8 h SER 314 CO 0.30 0.08 -0.30 0.59 -0.87 0.00 0.00 176.83 176.63 2ji8 n ASN 315 N -4.07 0.02 -4.16 4.97 3.02 -1.26 -5.11 115.26 108.68 2ji8 n ASN 315 Ca -0.03 0.03 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 2ji8 n ASN 315 Cb 0.16 0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.23 2ji8 n ASN 315 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2ji8 s GLN 316 N -2.00 0.78 0.29 3.52 -1.52 -1.26 -5.01 119.66 114.46 2ji8 s GLN 316 Ca 0.00 -0.97 -0.29 0.00 -1.95 0.00 0.00 55.36 52.15 2ji8 s GLN 316 Cb 0.00 -0.69 -0.13 0.00 -0.22 0.00 0.00 33.01 31.97 2ji8 s GLN 316 CO 0.00 0.14 1.19 -2.30 -0.25 0.00 0.00 175.29 174.07 2ji8 n PRO 317 N 1.15 1.72 -3.73 2.91 -0.02 -1.26 -3.87 135.00 131.89 2ji8 n PRO 317 Ca -0.20 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 2ji8 n PRO 317 Cb 0.55 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 2ji8 n PRO 317 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ji8 s ILE 318 N -0.81 3.85 0.37 4.25 -1.09 -1.26 -4.67 121.20 121.85 2ji8 s ILE 318 Ca 0.61 -1.14 0.06 0.00 -2.23 0.00 0.00 60.65 57.94 2ji8 s ILE 318 Cb -0.66 -3.20 0.29 0.00 -1.58 0.00 0.00 42.46 37.31 2ji8 s ILE 318 CO 0.58 -0.21 1.98 0.00 -1.23 0.00 0.00 174.94 176.06 2ji8 h ALA 319 N 8.24 1.70 -2.68 9.38 0.00 -1.78 -3.37 119.26 130.74 2ji8 h ALA 319 Ca -0.23 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.06 2ji8 h ALA 319 Cb 1.08 -0.19 -0.39 0.00 0.00 0.00 0.00 17.79 18.29 2ji8 h ALA 319 CO 0.62 0.21 -0.83 0.00 0.00 0.00 0.00 179.25 179.25 2ji8 s ALA 320 N -5.64 1.51 -0.22 0.00 0.00 -0.21 -4.98 121.76 112.22 2ji8 s ALA 320 Ca -0.09 -2.28 -0.26 0.00 0.00 0.00 0.00 51.96 49.32 2ji8 s ALA 320 Cb 0.19 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 2ji8 s ALA 320 CO 0.76 -2.07 0.90 -1.25 0.00 0.00 0.00 175.76 174.11 2ji8 s PRO 321 N 0.55 4.24 -0.34 0.00 0.04 -1.26 -2.06 135.00 136.16 2ji8 s PRO 321 Ca 0.21 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 2ji8 s PRO 321 Cb -0.17 -3.63 0.05 0.00 0.04 0.00 0.00 34.50 30.79 2ji8 s PRO 321 CO -0.04 -0.51 0.09 0.08 0.04 0.00 0.00 177.00 176.66 2ji8 s VAL 322 N 2.80 3.54 -0.22 -0.36 1.01 0.00 -4.89 120.40 122.28 2ji8 s VAL 322 Ca 0.39 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2ji8 s VAL 322 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2ji8 s VAL 322 CO 0.08 -0.21 0.18 -0.69 0.00 0.00 0.00 175.10 174.46 2ji8 s VAL 323 N 1.34 5.35 -4.88 2.92 1.01 -1.26 -2.36 120.40 122.52 2ji8 s VAL 323 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2ji8 s VAL 323 Cb -0.20 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2ji8 s VAL 323 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ji8 n GLY 324 N 4.05 -2.65 3.77 4.51 0.00 -0.67 -3.67 105.19 110.52 2ji8 n GLY 324 Ca -0.14 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2ji8 n GLY 324 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ji8 s ASP 325 N -0.70 7.02 0.28 1.61 -4.77 -0.66 -2.71 116.67 116.74 2ji8 s ASP 325 Ca 0.00 2.26 -0.00 0.00 -3.30 0.00 0.00 52.55 51.50 2ji8 s ASP 325 Cb 0.00 -2.62 0.49 0.00 -1.09 0.00 0.00 42.92 39.70 2ji8 s ASP 325 CO 0.00 -0.32 1.88 0.40 0.70 0.00 0.00 175.17 177.83 2ji8 h ILE 326 N 2.79 1.04 0.17 2.11 2.04 -1.93 -1.43 117.51 122.29 2ji8 h ILE 326 Ca -0.47 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2ji8 h ILE 326 Cb 1.22 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2ji8 h ILE 326 CO 0.65 0.20 -0.08 0.50 0.00 0.00 0.00 178.15 179.42 2ji8 h LYS 327 N 1.09 -0.21 -0.51 2.37 3.64 -1.92 0.13 116.57 121.14 2ji8 h LYS 327 Ca 0.44 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 2ji8 h LYS 327 Cb 0.27 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2ji8 h LYS 327 CO -0.19 -0.13 0.29 0.77 -2.27 0.00 0.00 179.45 177.92 2ji8 h SER 328 N -0.24 0.64 -0.18 4.20 0.02 -1.76 -1.55 113.55 114.68 2ji8 h SER 328 Ca -0.02 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2ji8 h SER 328 Cb 0.18 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2ji8 h SER 328 CO 0.04 0.54 0.04 0.00 -1.14 0.00 0.00 176.83 176.31 2ji8 h ALA 329 N 1.13 0.23 -0.52 3.77 0.00 -1.18 -2.73 119.26 119.96 2ji8 h ALA 329 Ca 0.18 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2ji8 h ALA 329 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ji8 h ALA 329 CO -0.03 -0.13 0.01 0.28 0.00 0.00 0.00 179.25 179.37 2ji8 h VAL 330 N 0.09 1.26 -0.93 0.00 2.07 -0.69 0.10 116.25 118.17 2ji8 h VAL 330 Ca 0.06 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.52 2ji8 h VAL 330 Cb 0.26 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 2ji8 h VAL 330 CO 0.00 0.39 0.61 -1.28 0.02 0.00 0.00 177.57 177.30 2ji8 h SER 331 N 0.79 1.02 -0.19 0.57 0.87 -1.31 -0.67 113.55 114.63 2ji8 h SER 331 Ca 0.15 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 2ji8 h SER 331 Cb 0.52 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2ji8 h SER 331 CO 0.03 0.71 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.69 2ji8 h LEU 332 N 1.19 0.57 -1.47 2.23 3.38 -1.25 -2.95 115.31 117.01 2ji8 h LEU 332 Ca 0.36 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2ji8 h LEU 332 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2ji8 h LEU 332 CO -0.11 0.97 0.06 0.25 0.09 0.00 0.00 178.44 179.71 2ji8 h LEU 333 N 0.19 0.37 -0.41 1.67 5.85 -0.63 -2.06 115.31 120.28 2ji8 h LEU 333 Ca 0.02 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2ji8 h LEU 333 Cb 0.85 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2ji8 h LEU 333 CO 0.06 0.39 0.01 0.03 -0.34 0.00 0.00 178.44 178.59 2ji8 h ARG 334 N 0.41 0.71 -0.13 1.25 3.08 -1.13 -2.28 114.38 116.29 2ji8 h ARG 334 Ca 0.10 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 2ji8 h ARG 334 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2ji8 h ARG 334 CO -0.00 0.79 -0.40 0.87 -1.07 0.00 0.00 179.97 180.16 2ji8 h LYS 335 N 0.54 0.28 -0.06 0.04 1.57 -1.31 -2.55 116.57 115.08 2ji8 h LYS 335 Ca 0.12 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2ji8 h LYS 335 Cb 0.46 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2ji8 h LYS 335 CO 0.02 0.64 -0.44 0.00 -0.57 0.00 0.00 179.45 179.11 2ji8 h ALA 336 N 1.35 1.16 -0.02 3.86 0.00 -1.28 -3.20 119.26 121.12 2ji8 h ALA 336 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ji8 h ALA 336 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ji8 h ALA 336 CO 0.06 0.58 -0.10 1.28 0.00 0.00 0.00 179.25 181.08 2ji8 n LEU 337 N -4.01 2.30 -4.71 0.00 4.77 -0.87 -4.96 117.00 109.52 2ji8 n LEU 337 Ca -0.02 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 2ji8 n LEU 337 Cb 0.48 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2ji8 n LEU 337 CO 0.41 0.39 1.12 -0.75 -1.33 0.00 0.00 177.39 177.23 2ji8 s LYS 338 N -2.12 4.29 0.00 3.23 2.47 -0.98 -1.91 119.74 124.72 2ji8 s LYS 338 Ca 0.29 2.12 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 2ji8 s LYS 338 Cb 0.20 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.26 2ji8 s LYS 338 CO 0.37 -0.51 0.00 0.41 0.16 0.00 0.00 175.35 175.78 2ji8 n GLY 339 N 3.60 1.49 3.81 5.54 0.00 -1.26 -5.06 105.19 113.31 2ji8 n GLY 339 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2ji8 n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ji8 s ALA 340 N -2.45 2.84 0.68 4.61 0.00 -0.80 -5.01 121.76 121.62 2ji8 s ALA 340 Ca 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 2ji8 s ALA 340 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2ji8 s ALA 340 CO 0.00 -0.53 1.23 -2.14 0.00 0.00 0.00 175.76 174.32 2ji8 s PRO 341 N -3.74 2.41 0.78 0.00 0.02 -1.26 -4.96 135.00 128.26 2ji8 s PRO 341 Ca 0.64 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 2ji8 s PRO 341 Cb -0.15 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.57 2ji8 s PRO 341 CO 0.29 -1.65 1.10 0.15 -0.33 0.00 0.00 177.00 176.56 2ji8 s LYS 342 N -3.68 2.21 0.51 5.54 1.02 -1.26 -4.95 119.74 119.14 2ji8 s LYS 342 Ca 0.77 0.60 -0.21 0.00 0.02 0.00 0.00 55.97 57.15 2ji8 s LYS 342 Cb -0.31 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 2ji8 s LYS 342 CO 0.41 -1.52 0.97 0.00 -0.92 0.00 0.00 175.35 174.29 2ji8 n ALA 343 N -3.36 0.15 -1.66 5.17 0.00 0.08 -4.79 120.51 116.09 2ji8 n ALA 343 Ca 0.07 0.12 -0.51 0.00 0.00 0.00 0.00 53.44 53.12 2ji8 n ALA 343 Cb 0.56 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 2ji8 n ALA 343 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ji8 n ASP 344 N -0.02 2.59 -0.00 0.00 9.92 -1.26 -4.84 116.55 122.94 2ji8 n ASP 344 Ca 0.11 1.06 0.04 0.00 -0.53 0.00 0.00 54.79 55.48 2ji8 n ASP 344 Cb 0.43 -1.27 0.43 0.00 -0.64 0.00 0.00 41.12 40.07 2ji8 n ASP 344 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ji8 h ALA 345 N 6.67 1.72 0.00 2.24 0.00 -1.94 -1.93 119.26 126.01 2ji8 h ALA 345 Ca -0.47 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2ji8 h ALA 345 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2ji8 h ALA 345 CO 0.89 0.26 -0.36 0.93 0.00 0.00 0.00 179.25 180.98 2ji8 h GLU 346 N 0.55 0.00 0.01 0.00 4.39 -1.97 0.93 114.58 118.49 2ji8 h GLU 346 Ca 0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2ji8 h GLU 346 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2ji8 h GLU 346 CO -0.03 0.36 -0.00 2.35 -1.16 0.00 0.00 179.01 180.52 2ji8 h TRP 347 N 0.00 -0.01 -0.38 4.33 2.91 -1.68 -2.39 115.95 118.73 2ji8 h TRP 347 Ca -0.00 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 2ji8 h TRP 347 Cb 0.73 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.37 2ji8 h TRP 347 CO 0.00 0.79 -0.20 1.79 -1.03 0.00 0.00 178.44 179.79 2ji8 h THR 348 N -0.84 1.27 -0.30 2.65 1.35 -1.41 -2.23 112.91 113.40 2ji8 h THR 348 Ca -0.00 -1.29 -0.08 0.00 -0.55 0.00 0.00 66.41 64.48 2ji8 h THR 348 Cb 0.80 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 2ji8 h THR 348 CO 0.00 0.43 -0.17 1.23 -0.25 0.00 0.00 175.52 176.76 2ji8 h GLY 349 N 0.97 0.57 1.20 5.82 0.00 -0.94 -1.78 103.07 108.91 2ji8 h GLY 349 Ca 0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 2ji8 h GLY 349 CO 0.05 0.39 -0.31 0.00 0.00 0.00 0.00 176.54 176.68 2ji8 h ALA 350 N 1.34 0.69 -0.14 3.60 0.00 -1.16 -2.54 119.26 121.04 2ji8 h ALA 350 Ca 0.08 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 2ji8 h ALA 350 Cb 0.57 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ji8 h ALA 350 CO 0.04 0.67 -0.74 -0.07 0.00 0.00 0.00 179.25 179.14 2ji8 h LEU 351 N 0.75 0.90 -0.73 0.00 3.38 -1.36 -2.83 115.31 115.42 2ji8 h LEU 351 Ca 0.08 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.47 2ji8 h LEU 351 Cb 0.87 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2ji8 h LEU 351 CO 0.08 1.39 0.43 0.50 0.09 0.00 0.00 178.44 180.93 2ji8 h LYS 352 N 0.48 0.77 -0.80 1.13 1.63 -1.37 -0.43 116.57 117.97 2ji8 h LYS 352 Ca -0.05 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2ji8 h LYS 352 Cb 1.38 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 2ji8 h LYS 352 CO 0.15 0.51 0.37 0.00 -3.45 0.00 0.00 179.45 177.04 2ji8 h ALA 353 N 1.36 1.04 -0.01 5.00 0.00 -1.42 -1.40 119.26 123.82 2ji8 h ALA 353 Ca 0.32 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2ji8 h ALA 353 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ji8 h ALA 353 CO -0.17 0.62 -0.73 0.87 0.00 0.00 0.00 179.25 179.83 2ji8 h LYS 354 N 1.14 0.08 -0.41 0.00 1.57 -1.21 -2.61 116.57 115.13 2ji8 h LYS 354 Ca 0.27 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2ji8 h LYS 354 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ji8 h LYS 354 CO -0.03 0.78 0.03 0.28 -0.57 0.00 0.00 179.45 179.93 2ji8 h VAL 355 N 0.05 1.25 -0.12 0.50 2.07 -0.90 -1.85 116.25 117.25 2ji8 h VAL 355 Ca -0.01 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2ji8 h VAL 355 Cb 1.29 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2ji8 h VAL 355 CO 0.10 0.33 0.06 0.44 0.02 0.00 0.00 177.57 178.52 2ji8 h ASP 356 N 0.54 0.15 -0.80 0.57 3.32 -1.19 -0.61 116.42 118.40 2ji8 h ASP 356 Ca 0.12 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2ji8 h ASP 356 Cb 0.43 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2ji8 h ASP 356 CO 0.02 0.21 0.35 1.23 -1.72 0.00 0.00 179.24 179.33 2ji8 h GLY 357 N 0.08 1.26 1.38 2.75 0.00 -1.50 -1.82 103.07 105.23 2ji8 h GLY 357 Ca 0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.57 2ji8 h GLY 357 CO -0.01 0.63 -0.39 3.43 0.00 0.00 0.00 176.54 180.20 2ji8 h ASN 358 N 1.15 0.72 -0.22 0.19 4.21 -1.23 -2.42 115.58 117.98 2ji8 h ASN 358 Ca 0.27 -0.32 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 2ji8 h ASN 358 Cb 0.17 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 2ji8 h ASN 358 CO -0.03 1.03 -0.10 0.11 -1.29 0.00 0.00 177.43 177.15 2ji8 h LYS 359 N 0.56 0.60 -0.40 0.81 1.57 -0.97 -2.37 116.57 116.36 2ji8 h LYS 359 Ca 0.05 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2ji8 h LYS 359 Cb 0.92 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2ji8 h LYS 359 CO 0.08 0.70 -0.04 0.00 -0.57 0.00 0.00 179.45 179.62 2ji8 h ALA 360 N 1.34 0.55 -0.82 3.86 0.00 -1.21 -1.87 119.26 121.11 2ji8 h ALA 360 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2ji8 h ALA 360 Cb 0.51 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2ji8 h ALA 360 CO 0.03 0.37 0.54 0.87 0.00 0.00 0.00 179.25 181.06 2ji8 h LYS 361 N 0.56 0.99 -0.34 0.00 1.57 -1.31 -2.66 116.57 115.39 2ji8 h LYS 361 Ca 0.11 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2ji8 h LYS 361 Cb 0.54 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2ji8 h LYS 361 CO 0.03 0.65 -0.34 1.25 -0.57 0.00 0.00 179.45 180.47 2ji8 h LEU 362 N 1.02 0.89 -0.94 2.94 5.85 -1.24 -3.06 115.31 120.77 2ji8 h LEU 362 Ca 0.32 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.65 2ji8 h LEU 362 Cb 0.03 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 2ji8 h LEU 362 CO -0.09 1.18 0.59 0.00 -0.34 0.00 0.00 178.44 179.77 2ji8 h ALA 363 N 0.74 1.32 -0.74 1.25 0.00 -1.07 -1.40 119.26 119.37 2ji8 h ALA 363 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ji8 h ALA 363 Cb 0.93 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2ji8 h ALA 363 CO 0.09 0.32 0.44 0.78 0.00 0.00 0.00 179.25 180.88 2ji8 h GLY 364 N 1.04 1.06 0.92 0.00 0.00 -1.42 -0.37 103.07 104.31 2ji8 h GLY 364 Ca 0.42 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2ji8 h GLY 364 CO -0.20 0.42 -0.09 0.50 0.00 0.00 0.00 176.54 177.18 2ji8 h LYS 365 N 1.01 0.65 -0.43 4.80 1.57 -1.20 -3.02 116.57 119.95 2ji8 h LYS 365 Ca 0.26 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2ji8 h LYS 365 Cb -0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2ji8 h LYS 365 CO -0.05 0.82 -0.17 0.52 -0.57 0.00 0.00 179.45 180.01 2ji8 h MET 366 N 0.43 0.82 0.00 3.15 2.86 -1.08 -3.08 114.93 118.03 2ji8 h MET 366 Ca 0.08 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 2ji8 h MET 366 Cb 0.59 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2ji8 h MET 366 CO 0.03 0.93 -0.22 1.15 1.06 0.00 0.00 176.91 179.86 2ji8 h THR 367 N 0.72 0.65 -3.98 2.22 2.02 -1.10 -3.36 112.91 110.07 2ji8 h THR 367 Ca 0.11 -0.98 -0.48 0.00 0.77 0.00 0.00 66.41 65.83 2ji8 h THR 367 Cb 0.68 1.63 0.16 0.00 -1.74 0.00 0.00 68.15 68.88 2ji8 h THR 367 CO 0.05 0.22 0.22 0.00 0.37 0.00 0.00 175.52 176.37 2ji8 s ALA 368 N -3.87 1.27 -0.06 6.16 0.00 -1.14 -5.04 121.76 119.07 2ji8 s ALA 368 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.91 2ji8 s ALA 368 Cb 0.12 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2ji8 s ALA 368 CO 0.63 -2.58 -0.16 -2.00 0.00 0.00 0.00 175.76 171.65 2ji8 s GLU 369 N -4.88 2.66 0.22 0.00 2.12 -1.26 -4.84 118.70 112.72 2ji8 s GLU 369 Ca 0.64 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 55.29 2ji8 s GLU 369 Cb -0.19 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 2ji8 s GLU 369 CO 0.58 0.51 -0.07 0.95 -0.54 0.00 0.00 175.26 176.68 2ji8 s THR 370 N -0.43 1.38 0.71 -1.70 -4.23 -1.26 -5.12 115.64 104.99 2ji8 s THR 370 Ca 0.05 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 2ji8 s THR 370 Cb -0.12 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2ji8 s THR 370 CO 0.02 -0.48 1.15 -2.84 -0.54 0.00 0.00 174.62 171.93 2ji8 s PRO 371 N -3.75 2.38 0.10 3.99 0.02 -1.26 -4.90 135.00 131.59 2ji8 s PRO 371 Ca 0.24 1.56 -0.31 0.00 0.02 0.00 0.00 61.00 62.51 2ji8 s PRO 371 Cb 0.03 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 2ji8 s PRO 371 CO 0.07 -1.60 1.68 0.45 -0.33 0.00 0.00 177.00 177.27 2ji8 s SER 372 N -2.37 6.55 0.00 2.53 0.15 -1.26 -1.11 113.70 118.19 2ji8 s SER 372 Ca 0.70 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.93 2ji8 s SER 372 Cb -0.24 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2ji8 s SER 372 CO 0.45 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2ji8 n GLY 373 N 4.01 0.83 2.54 9.45 0.00 0.12 -4.92 105.19 117.22 2ji8 n GLY 373 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 2ji8 n GLY 373 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ji8 n MET 374 N -2.16 1.95 -1.15 1.61 2.00 -0.26 -4.30 117.12 114.81 2ji8 n MET 374 Ca 0.00 -3.84 -0.32 0.00 0.00 0.00 0.00 57.70 53.54 2ji8 n MET 374 Cb 0.00 -1.76 0.11 0.00 0.00 0.00 0.00 33.22 31.57 2ji8 n MET 374 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2ji8 s MET 375 N -3.08 1.83 0.47 0.03 1.00 -1.07 -4.12 119.30 114.36 2ji8 s MET 375 Ca 0.39 1.50 0.05 0.00 0.00 0.00 0.00 55.69 57.63 2ji8 s MET 375 Cb 0.39 -1.82 0.05 0.00 0.00 0.00 0.00 34.83 33.45 2ji8 s MET 375 CO -0.07 -2.02 0.45 0.27 0.00 0.00 0.00 175.02 173.65 2ji8 n ASN 376 N -3.44 2.28 0.12 3.03 2.04 -1.26 0.11 115.26 118.14 2ji8 n ASN 376 Ca 0.11 -2.51 -0.02 0.00 -0.44 0.00 0.00 54.58 51.72 2ji8 n ASN 376 Cb 0.52 -0.14 0.18 0.00 -2.53 0.00 0.00 39.78 37.81 2ji8 n ASN 376 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 2ji8 h TYR 377 N 0.47 0.10 0.43 -2.53 0.05 -1.96 -3.03 116.97 110.50 2ji8 h TYR 377 Ca -0.28 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 2ji8 h TYR 377 Cb 1.07 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2ji8 h TYR 377 CO 0.00 0.64 -0.20 0.77 -1.05 0.00 0.00 178.16 178.32 2ji8 h SER 378 N 0.06 -0.48 0.51 3.88 0.02 -1.96 -2.24 113.55 113.34 2ji8 h SER 378 Ca -0.00 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 2ji8 h SER 378 Cb 1.04 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2ji8 h SER 378 CO 0.08 -0.06 -0.51 -0.55 -1.14 0.00 0.00 176.83 174.65 2ji8 h ASN 379 N -1.03 0.00 -0.04 3.07 -1.07 -1.72 0.24 115.58 115.04 2ji8 h ASN 379 Ca -0.06 -0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.30 2ji8 h ASN 379 Cb 0.54 -0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.79 2ji8 h ASN 379 CO 0.10 0.51 -0.02 0.77 0.07 0.00 0.00 177.43 178.86 2ji8 h SER 380 N 0.00 0.09 1.18 6.14 4.64 -1.66 -3.28 113.55 120.67 2ji8 h SER 380 Ca -0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ji8 h SER 380 Cb 0.90 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2ji8 h SER 380 CO 0.07 0.49 -0.07 0.18 -0.87 0.00 0.00 176.83 176.63 2ji8 n LEU 381 N -4.82 0.44 0.11 5.97 4.77 -0.84 -2.88 117.00 119.75 2ji8 n LEU 381 Ca -0.08 0.49 0.03 0.00 -0.03 0.00 0.00 56.01 56.43 2ji8 n LEU 381 Cb 0.24 -0.38 0.43 0.00 -2.33 0.00 0.00 43.42 41.38 2ji8 n LEU 381 CO 0.35 -0.08 0.97 1.23 -1.33 0.00 0.00 177.39 178.53 2ji8 h GLY 382 N 4.75 0.30 0.84 -0.72 0.00 -0.57 -1.26 103.07 106.42 2ji8 h GLY 382 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2ji8 h GLY 382 CO 0.00 0.15 -0.02 -2.08 0.00 0.00 0.00 176.54 174.59 2ji8 h VAL 383 N 0.28 1.26 -0.43 4.60 2.07 -1.62 -2.25 116.25 120.16 2ji8 h VAL 383 Ca 0.06 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 2ji8 h VAL 383 Cb 0.23 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2ji8 h VAL 383 CO 0.01 0.29 -0.07 0.58 0.02 0.00 0.00 177.57 178.40 2ji8 h VAL 384 N 0.18 1.25 -0.02 2.57 2.07 -1.60 -2.20 116.25 118.50 2ji8 h VAL 384 Ca 0.06 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2ji8 h VAL 384 Cb 0.44 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2ji8 h VAL 384 CO 0.02 0.37 -0.09 -0.09 0.02 0.00 0.00 177.57 177.80 2ji8 h ARG 385 N 0.69 -0.14 -0.46 1.57 2.43 -1.13 -1.14 114.38 116.20 2ji8 h ARG 385 Ca 0.12 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2ji8 h ARG 385 Cb 0.53 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2ji8 h ARG 385 CO 0.03 -0.09 0.19 -0.44 -1.51 0.00 0.00 179.97 178.15 2ji8 h ASP 386 N -0.14 0.63 -0.82 -3.80 3.32 -1.21 -1.98 116.42 112.42 2ji8 h ASP 386 Ca 0.04 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2ji8 h ASP 386 Cb 0.19 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2ji8 h ASP 386 CO -0.10 0.62 0.44 0.15 -1.72 0.00 0.00 179.24 178.63 2ji8 h PHE 387 N 0.60 1.15 0.00 4.55 3.57 -1.28 -2.29 116.94 123.24 2ji8 h PHE 387 Ca 0.15 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2ji8 h PHE 387 Cb 0.19 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2ji8 h PHE 387 CO 0.00 0.80 -0.11 0.52 -2.23 0.00 0.00 178.31 177.30 2ji8 h MET 388 N 1.17 0.00 -0.04 1.11 2.86 -0.95 0.84 114.93 119.92 2ji8 h MET 388 Ca 0.29 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.73 2ji8 h MET 388 Cb 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2ji8 h MET 388 CO -0.04 0.11 -0.82 -0.07 1.06 0.00 0.00 176.91 177.15 2ji8 h LEU 389 N 0.00 0.44 0.00 1.22 3.38 -0.97 -2.90 115.31 116.47 2ji8 h LEU 389 Ca -0.00 -0.32 -0.20 0.00 0.09 0.00 0.00 57.88 57.45 2ji8 h LEU 389 Cb 0.87 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2ji8 h LEU 389 CO 0.01 1.08 -1.10 0.00 0.09 0.00 0.00 178.44 178.52 2ji8 h ALA 390 N 0.90 0.55 -2.09 1.53 0.00 -1.27 -3.40 119.26 115.47 2ji8 h ALA 390 Ca -0.05 -0.92 -0.57 0.00 0.00 0.00 0.00 54.91 53.37 2ji8 h ALA 390 Cb 1.42 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.86 2ji8 h ALA 390 CO 0.14 1.15 -0.91 0.09 0.00 0.00 0.00 179.25 179.72 2ji8 n ASN 391 N -3.20 1.87 0.20 0.00 3.02 0.28 -4.98 115.26 112.45 2ji8 n ASN 391 Ca -0.04 -3.08 0.14 0.00 -0.03 0.00 0.00 54.58 51.56 2ji8 n ASN 391 Cb 0.91 -0.64 0.44 0.00 -0.61 0.00 0.00 39.78 39.88 2ji8 n ASN 391 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2ji8 h PRO 392 N 3.82 0.00 -2.35 3.52 0.13 -1.74 -3.35 132.00 132.03 2ji8 h PRO 392 Ca 0.12 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.75 2ji8 h PRO 392 Cb 0.78 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.82 2ji8 h PRO 392 CO 0.63 0.00 1.37 -3.47 -0.23 0.00 0.00 178.00 176.30 2ji8 n ASP 393 N -2.75 6.99 -3.85 1.44 2.03 -1.26 -4.59 116.55 114.56 2ji8 n ASP 393 Ca 0.03 -2.86 -0.13 0.00 0.52 0.00 0.00 54.79 52.35 2ji8 n ASP 393 Cb 0.38 -1.38 -0.14 0.00 -0.72 0.00 0.00 41.12 39.25 2ji8 n ASP 393 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ji8 s ILE 394 N -0.20 0.01 0.35 5.18 1.01 -1.26 -4.60 121.20 121.69 2ji8 s ILE 394 Ca 0.62 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 61.05 2ji8 s ILE 394 Cb 0.28 -0.04 -0.09 0.00 0.01 0.00 0.00 42.46 42.61 2ji8 s ILE 394 CO -0.10 0.03 1.06 -0.44 0.00 0.00 0.00 174.94 175.48 2ji8 s SER 395 N 0.24 6.99 -0.28 3.58 0.01 -1.01 -4.84 113.70 118.39 2ji8 s SER 395 Ca -0.02 2.11 0.02 0.00 1.31 0.00 0.00 55.95 59.37 2ji8 s SER 395 Cb -0.03 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.67 2ji8 s SER 395 CO -0.01 -0.33 -0.02 -0.22 0.41 0.00 0.00 173.24 173.07 2ji8 s LEU 396 N -2.15 3.47 0.03 2.44 2.96 -0.08 -0.96 118.68 124.37 2ji8 s LEU 396 Ca 0.52 -1.58 -0.18 0.00 -0.22 0.00 0.00 54.13 52.67 2ji8 s LEU 396 Cb -0.25 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 44.98 2ji8 s LEU 396 CO 0.32 -0.28 0.50 -0.69 -1.32 0.00 0.00 176.35 174.88 2ji8 s VAL 397 N 1.18 4.88 -0.21 1.68 1.01 -0.03 -0.45 120.40 128.45 2ji8 s VAL 397 Ca -0.00 1.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 2ji8 s VAL 397 Cb -0.19 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.44 2ji8 s VAL 397 CO -0.08 0.55 0.50 0.21 0.00 0.00 0.00 175.10 176.27 2ji8 s ASN 398 N -0.95 -0.62 0.16 3.32 3.04 -0.82 -0.41 114.94 118.67 2ji8 s ASN 398 Ca 0.27 1.13 -0.19 0.00 0.04 0.00 0.00 52.86 54.11 2ji8 s ASN 398 Cb -0.18 1.20 0.04 0.00 -1.54 0.00 0.00 41.25 40.77 2ji8 s ASN 398 CO 0.16 -0.22 0.51 -1.83 -3.04 0.00 0.00 177.10 172.68 2ji8 s GLU 399 N 1.88 1.26 0.00 0.43 -1.05 -1.07 -3.20 118.70 116.95 2ji8 s GLU 399 Ca -0.08 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2ji8 s GLU 399 Cb -0.09 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2ji8 s GLU 399 CO -0.15 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 175.94 2ji8 n GLY 400 N -0.32 0.83 0.00 -3.83 0.00 -1.26 -1.36 105.19 99.25 2ji8 n GLY 400 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2ji8 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ji8 n ALA 401 N -1.00 0.50 -0.15 4.61 0.00 -1.26 -4.28 120.51 118.94 2ji8 n ALA 401 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2ji8 n ALA 401 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 2ji8 n ALA 401 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ji8 h ASN 402 N 0.00 0.64 0.80 0.00 2.35 -1.87 -1.26 115.58 116.24 2ji8 h ASN 402 Ca 0.00 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2ji8 h ASN 402 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2ji8 h ASN 402 CO 0.00 0.43 -0.45 0.00 -1.65 0.00 0.00 177.43 175.76 2ji8 h ALA 403 N 1.63 0.98 0.06 -0.83 0.00 -1.87 -1.74 119.26 117.49 2ji8 h ALA 403 Ca 0.27 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ji8 h ALA 403 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ji8 h ALA 403 CO -0.08 0.56 -0.03 1.25 0.00 0.00 0.00 179.25 180.94 2ji8 h LEU 404 N 0.00 -0.07 -0.69 0.00 5.85 -1.64 -3.26 115.31 115.50 2ji8 h LEU 404 Ca -0.00 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2ji8 h LEU 404 Cb 0.97 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2ji8 h LEU 404 CO 0.06 0.54 0.26 0.44 -0.34 0.00 0.00 178.44 179.39 2ji8 h ASP 405 N -1.00 0.97 -0.23 1.25 3.32 -1.26 -1.38 116.42 118.08 2ji8 h ASP 405 Ca -0.01 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 2ji8 h ASP 405 Cb 0.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2ji8 h ASP 405 CO 0.01 0.89 -0.36 0.78 -1.72 0.00 0.00 179.24 178.84 2ji8 h ASN 406 N 0.99 0.80 -0.13 6.45 2.35 -1.52 -2.75 115.58 121.77 2ji8 h ASN 406 Ca 0.23 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2ji8 h ASN 406 Cb 0.23 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2ji8 h ASN 406 CO -0.02 1.08 -0.18 0.74 -1.65 0.00 0.00 177.43 177.40 2ji8 h THR 407 N 0.63 1.25 -0.57 2.81 2.02 -1.54 0.17 112.91 117.68 2ji8 h THR 407 Ca 0.06 -1.16 -0.11 0.00 0.77 0.00 0.00 66.41 65.97 2ji8 h THR 407 Cb 0.91 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2ji8 h THR 407 CO 0.08 0.38 -0.06 -0.09 0.37 0.00 0.00 175.52 176.20 2ji8 h ARG 408 N 0.48 1.04 -0.05 6.66 2.43 -1.18 -1.07 114.38 122.69 2ji8 h ARG 408 Ca 0.08 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 2ji8 h ARG 408 Cb 0.59 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2ji8 h ARG 408 CO 0.04 1.05 -0.11 1.98 -1.51 0.00 0.00 179.97 181.42 2ji8 h MET 409 N 0.93 0.17 0.03 0.20 4.05 -1.39 -3.40 114.93 115.51 2ji8 h MET 409 Ca 0.15 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 2ji8 h MET 409 Cb 0.63 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2ji8 h MET 409 CO 0.04 0.69 -0.56 0.82 0.23 0.00 0.00 176.91 178.14 2ji8 h ILE 410 N -0.34 1.47 -2.84 1.77 2.04 -0.97 -3.45 117.51 115.19 2ji8 h ILE 410 Ca 0.00 -2.34 -0.56 0.00 1.00 0.00 0.00 64.86 62.96 2ji8 h ILE 410 Cb 0.69 3.01 -0.09 0.00 -0.74 0.00 0.00 36.82 39.70 2ji8 h ILE 410 CO 0.02 0.56 0.92 -0.69 0.00 0.00 0.00 178.15 178.96 2ji8 s VAL 411 N -2.31 3.98 0.08 1.67 1.01 -0.41 -4.81 120.40 119.61 2ji8 s VAL 411 Ca -0.21 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2ji8 s VAL 411 Cb 0.00 -4.77 -0.07 0.00 0.00 0.00 0.00 36.38 31.54 2ji8 s VAL 411 CO 0.69 -1.51 1.39 -1.81 0.00 0.00 0.00 175.10 173.86 2ji8 s ASP 412 N 3.29 6.84 -0.17 3.32 1.01 -1.26 -4.82 116.67 124.87 2ji8 s ASP 412 Ca 0.37 2.25 -0.13 0.00 0.71 0.00 0.00 52.55 55.75 2ji8 s ASP 412 Cb -0.09 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2ji8 s ASP 412 CO 0.20 -0.67 0.25 -0.04 0.21 0.00 0.00 175.17 175.11 2ji8 s MET 413 N 1.55 4.24 0.00 8.23 -1.94 -1.26 -4.59 119.30 125.54 2ji8 s MET 413 Ca 0.64 0.01 0.13 0.00 -1.71 0.00 0.00 55.69 54.76 2ji8 s MET 413 Cb -0.35 -3.43 -0.13 0.00 2.01 0.00 0.00 34.83 32.94 2ji8 s MET 413 CO 0.29 0.25 0.60 1.28 -0.01 0.00 0.00 175.02 177.43 2ji8 n LEU 414 N 3.58 0.75 -4.31 -0.03 4.77 -1.26 -1.03 117.00 119.46 2ji8 n LEU 414 Ca -0.13 -0.54 -0.25 0.00 -0.03 0.00 0.00 56.01 55.06 2ji8 n LEU 414 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2ji8 n LEU 414 CO 0.39 0.18 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.55 2ji8 s LYS 415 N -2.19 1.22 0.43 3.23 1.02 -1.25 -4.35 119.74 117.86 2ji8 s LYS 415 Ca 0.06 -1.20 -0.19 0.00 0.02 0.00 0.00 55.97 54.67 2ji8 s LYS 415 Cb 0.10 -1.54 -0.10 0.00 -0.52 0.00 0.00 37.83 35.78 2ji8 s LYS 415 CO 0.52 0.36 0.92 -1.25 -0.92 0.00 0.00 175.35 174.98 2ji8 s PRO 416 N -1.89 4.11 -1.57 -1.68 0.04 -0.82 -4.07 135.00 129.13 2ji8 s PRO 416 Ca 0.08 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 2ji8 s PRO 416 Cb -0.10 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2ji8 s PRO 416 CO 0.04 -0.06 0.41 0.54 0.04 0.00 0.00 177.00 177.98 2ji8 n ARG 417 N -0.85 -3.83 -0.11 4.56 1.74 -1.26 -4.89 116.66 112.02 2ji8 n ARG 417 Ca 0.06 0.88 -0.18 0.00 -0.77 0.00 0.00 57.85 57.84 2ji8 n ARG 417 Cb 0.54 -5.67 -0.10 0.00 -1.02 0.00 0.00 32.46 26.21 2ji8 n ARG 417 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ji8 n LYS 418 N -3.69 0.55 -2.49 5.56 4.76 -1.26 -4.92 118.16 116.67 2ji8 n LYS 418 Ca -0.14 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 2ji8 n LYS 418 Cb 0.63 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 2ji8 n LYS 418 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2ji8 s ARG 419 N -2.45 4.28 -0.23 1.97 3.52 -1.26 -0.91 118.95 123.88 2ji8 s ARG 419 Ca -0.31 1.60 -0.00 0.00 -0.13 0.00 0.00 55.73 56.89 2ji8 s ARG 419 Cb 0.09 -3.67 0.06 0.00 -1.56 0.00 0.00 34.95 29.87 2ji8 s ARG 419 CO 0.49 -0.59 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.86 2ji8 s LEU 420 N 2.98 2.17 0.00 -0.88 1.43 0.40 -4.73 118.68 120.05 2ji8 s LEU 420 Ca 0.53 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2ji8 s LEU 420 Cb -0.21 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.02 2ji8 s LEU 420 CO 0.16 -0.27 0.00 -0.90 0.23 0.00 0.00 176.35 175.57 2ji8 n ASP 421 N 4.79 1.07 0.25 2.29 5.68 -1.26 -1.94 116.55 127.43 2ji8 n ASP 421 Ca -0.10 -0.94 0.13 0.00 -0.50 0.00 0.00 54.79 53.38 2ji8 n ASP 421 Cb 0.45 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.21 2ji8 n ASP 421 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ji8 h SER 422 N 0.00 0.00 -0.49 -1.12 0.02 -1.79 -3.48 113.55 106.69 2ji8 h SER 422 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ji8 h SER 422 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2ji8 h SER 422 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2ji8 n GLY 423 N -1.44 -1.29 0.29 -3.77 0.00 -1.26 -2.59 105.19 95.13 2ji8 n GLY 423 Ca -0.02 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.79 2ji8 n GLY 423 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ji8 h THR 424 N 0.00 1.07 -0.06 2.61 2.02 -1.92 -1.95 112.91 114.67 2ji8 h THR 424 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2ji8 h THR 424 Cb 0.00 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2ji8 h THR 424 CO 0.00 0.07 0.00 0.79 0.37 0.00 0.00 175.52 176.75 2ji8 n TRP 425 N -4.50 0.05 -3.76 3.16 8.01 -1.26 -4.96 117.44 114.18 2ji8 n TRP 425 Ca 0.01 -0.03 -0.26 0.00 -1.31 0.00 0.00 57.50 55.92 2ji8 n TRP 425 Cb 0.07 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.41 2ji8 n TRP 425 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ji8 n GLY 426 N 1.25 -0.43 3.66 6.99 0.00 -0.74 -4.89 105.19 111.03 2ji8 n GLY 426 Ca 0.17 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 2ji8 n GLY 426 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ji8 s VAL 427 N -3.42 3.79 -0.13 1.61 1.01 -1.07 -4.99 120.40 117.20 2ji8 s VAL 427 Ca 0.40 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 2ji8 s VAL 427 Cb -0.20 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2ji8 s VAL 427 CO 0.80 -0.10 0.93 -0.04 0.00 0.00 0.00 175.10 176.69 2ji8 s MET 428 N 3.92 4.37 0.00 2.72 -1.94 -1.26 -4.33 119.30 122.79 2ji8 s MET 428 Ca 0.68 1.23 0.00 0.00 -1.71 0.00 0.00 55.69 55.89 2ji8 s MET 428 Cb -0.29 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 32.99 2ji8 s MET 428 CO 0.25 -0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 2ji8 n GLY 429 N 3.23 0.75 0.00 -0.03 0.00 -1.26 -4.94 105.19 102.94 2ji8 n GLY 429 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 2ji8 n GLY 429 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ji8 n ILE 430 N 0.00 0.03 0.10 -0.61 -6.64 -1.26 -4.51 119.36 106.46 2ji8 n ILE 430 Ca 0.00 0.01 -0.08 0.00 -1.77 0.00 0.00 62.75 60.91 2ji8 n ILE 430 Cb 0.00 -0.51 -0.04 0.00 -1.44 0.00 0.00 39.64 37.64 2ji8 n ILE 430 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2ji8 h GLY 431 N 4.93 -1.03 1.81 3.28 0.00 -1.92 -1.49 103.07 108.65 2ji8 h GLY 431 Ca 0.00 0.48 -0.21 0.00 0.00 0.00 0.00 47.33 47.60 2ji8 h GLY 431 CO 0.00 -0.34 -0.94 -0.33 0.00 0.00 0.00 176.54 174.94 2ji8 h MET 432 N -0.40 0.16 -0.27 4.80 2.86 -1.82 -1.91 114.93 118.34 2ji8 h MET 432 Ca -0.02 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2ji8 h MET 432 Cb 0.36 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2ji8 h MET 432 CO -0.06 0.98 0.15 0.78 1.06 0.00 0.00 176.91 179.82 2ji8 h GLY 433 N 2.03 0.40 0.81 8.32 0.00 -1.78 -1.61 103.07 111.24 2ji8 h GLY 433 Ca -0.05 -0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.19 2ji8 h GLY 433 CO 0.14 0.17 0.56 -0.97 0.00 0.00 0.00 176.54 176.44 2ji8 h TYR 434 N 0.33 0.93 -0.29 5.60 -1.99 -1.09 -1.82 116.97 118.64 2ji8 h TYR 434 Ca 0.10 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 2ji8 h TYR 434 Cb 0.05 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 2ji8 h TYR 434 CO -0.04 0.45 0.06 0.00 -0.00 0.00 0.00 178.16 178.63 2ji8 h VAL 436 N 0.29 1.20 -0.09 0.00 2.07 -0.96 -1.67 116.25 117.10 2ji8 h VAL 436 Ca 0.09 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2ji8 h VAL 436 Cb 0.32 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2ji8 h VAL 436 CO 0.00 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.78 2ji8 h ALA 437 N 0.97 0.13 -0.75 1.67 0.00 -1.32 0.02 119.26 119.97 2ji8 h ALA 437 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2ji8 h ALA 437 Cb 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2ji8 h ALA 437 CO -0.01 -0.12 0.40 0.00 0.00 0.00 0.00 179.25 179.53 2ji8 h ALA 438 N 0.64 1.04 -0.06 0.00 0.00 -1.10 0.21 119.26 119.99 2ji8 h ALA 438 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ji8 h ALA 438 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ji8 h ALA 438 CO 0.01 0.02 0.01 0.00 0.00 0.00 0.00 179.25 179.29 2ji8 h ALA 439 N 1.43 0.08 -0.68 0.00 0.00 -1.25 -2.18 119.26 116.65 2ji8 h ALA 439 Ca 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ji8 h ALA 439 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2ji8 h ALA 439 CO -0.25 -0.27 0.41 0.00 0.00 0.00 0.00 179.25 179.14 2ji8 h ALA 440 N 0.76 0.86 0.00 0.00 0.00 -0.31 -1.07 119.26 119.50 2ji8 h ALA 440 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2ji8 h ALA 440 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2ji8 h ALA 440 CO 0.00 0.34 -1.29 -0.39 0.00 0.00 0.00 179.25 177.91 2ji8 h VAL 441 N 0.92 0.79 0.01 0.00 -1.51 -1.02 -3.35 116.25 112.09 2ji8 h VAL 441 Ca 0.24 -2.39 -0.31 0.00 -1.23 0.00 0.00 66.70 63.02 2ji8 h VAL 441 Cb -0.03 2.29 -0.05 0.00 -2.13 0.00 0.00 31.29 31.38 2ji8 h VAL 441 CO -0.05 0.45 -1.81 0.35 -1.23 0.00 0.00 177.57 175.29 2ji8 n THR 442 N -3.04 1.60 -1.66 7.19 -2.24 -0.82 -4.98 114.28 110.33 2ji8 n THR 442 Ca -0.08 -0.79 -0.15 0.00 -2.27 0.00 0.00 64.05 60.75 2ji8 n THR 442 Cb 0.89 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 2ji8 n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ji8 n GLY 443 N 1.62 1.11 3.52 3.38 0.00 -0.41 -5.00 105.19 109.41 2ji8 n GLY 443 Ca -0.20 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 2ji8 n GLY 443 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ji8 s LYS 444 N -3.67 1.79 0.73 1.61 1.02 -1.26 -5.10 119.74 114.87 2ji8 s LYS 444 Ca 0.00 -2.02 -0.13 0.00 0.02 0.00 0.00 55.97 53.83 2ji8 s LYS 444 Cb 0.00 -1.04 0.04 0.00 -0.52 0.00 0.00 37.83 36.31 2ji8 s LYS 444 CO 0.00 -0.21 1.13 -2.14 -0.92 0.00 0.00 175.35 173.21 2ji8 s PRO 445 N -3.83 2.34 0.02 -1.68 0.02 -1.26 -4.65 135.00 125.97 2ji8 s PRO 445 Ca 0.32 1.43 0.05 0.00 0.02 0.00 0.00 61.00 62.82 2ji8 s PRO 445 Cb 0.08 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 2ji8 s PRO 445 CO 0.15 -1.61 -0.15 0.08 -0.33 0.00 0.00 177.00 175.14 2ji8 s VAL 446 N -2.44 1.18 -0.07 3.83 1.01 -0.63 -2.40 120.40 120.89 2ji8 s VAL 446 Ca 0.67 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2ji8 s VAL 446 Cb -0.22 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2ji8 s VAL 446 CO 0.48 0.12 -0.19 -0.63 0.00 0.00 0.00 175.10 174.88 2ji8 s ILE 447 N -0.69 1.64 -0.14 2.22 1.01 -0.14 -1.45 121.20 123.66 2ji8 s ILE 447 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2ji8 s ILE 447 Cb -0.07 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 2ji8 s ILE 447 CO 0.01 0.47 -0.12 0.00 0.00 0.00 0.00 174.94 175.30 2ji8 s ALA 448 N 0.23 2.66 -0.42 9.38 0.00 -0.34 -0.85 121.76 132.41 2ji8 s ALA 448 Ca -0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2ji8 s ALA 448 Cb -0.15 -1.27 0.07 0.00 0.00 0.00 0.00 23.12 21.77 2ji8 s ALA 448 CO 0.05 0.19 0.27 0.08 0.00 0.00 0.00 175.76 176.35 2ji8 s VAL 449 N 0.44 4.49 -0.13 0.00 1.01 0.46 0.02 120.40 126.70 2ji8 s VAL 449 Ca -0.09 -1.22 -0.00 0.00 0.00 0.00 0.00 61.98 60.67 2ji8 s VAL 449 Cb -0.16 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2ji8 s VAL 449 CO 0.05 -0.46 -0.13 -1.61 0.00 0.00 0.00 175.10 172.94 2ji8 s GLU 450 N 1.49 3.36 0.67 2.72 0.41 -0.05 -2.60 118.70 124.71 2ji8 s GLU 450 Ca 0.03 -0.70 -0.15 0.00 -0.41 0.00 0.00 54.97 53.75 2ji8 s GLU 450 Cb -0.22 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 2ji8 s GLU 450 CO 0.04 0.19 1.11 0.20 -0.49 0.00 0.00 175.26 176.31 2ji8 s GLY 451 N 0.40 2.12 0.17 -1.39 0.00 -0.47 -0.55 107.32 107.61 2ji8 s GLY 451 Ca -0.11 0.52 -0.05 0.00 0.00 0.00 0.00 44.72 45.09 2ji8 s GLY 451 CO 0.05 0.88 1.47 1.29 0.00 0.00 0.00 173.10 176.79 2ji8 h ASP 452 N -0.05 0.70 0.13 1.64 2.03 -1.85 -0.21 116.42 118.81 2ji8 h ASP 452 Ca -0.47 -0.38 -0.01 0.00 -0.73 0.00 0.00 57.03 55.44 2ji8 h ASP 452 Cb 1.24 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2ji8 h ASP 452 CO 0.54 1.12 -0.06 -1.28 -1.03 0.00 0.00 179.24 178.53 2ji8 h SER 453 N 0.47 -0.15 -0.79 4.15 0.87 -1.92 -3.06 113.55 113.11 2ji8 h SER 453 Ca 0.00 -0.26 0.18 0.00 -1.23 0.00 0.00 61.79 60.48 2ji8 h SER 453 Cb 1.14 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 63.00 2ji8 h SER 453 CO 0.11 0.19 -0.08 0.00 -0.53 0.00 0.00 176.83 176.52 2ji8 h ALA 454 N 0.30 0.71 -0.57 6.23 0.00 -1.86 -1.28 119.26 122.77 2ji8 h ALA 454 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2ji8 h ALA 454 Cb 0.40 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2ji8 h ALA 454 CO 0.03 -0.43 0.38 0.35 0.00 0.00 0.00 179.25 179.58 2ji8 h PHE 455 N 0.05 0.72 0.00 0.00 3.57 -0.98 -2.77 116.94 117.53 2ji8 h PHE 455 Ca 0.42 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2ji8 h PHE 455 Cb 0.71 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2ji8 h PHE 455 CO -0.52 0.46 0.00 0.41 -2.23 0.00 0.00 178.31 176.43 2ji8 n GLY 456 N -1.44 -0.79 0.09 2.40 0.00 -0.48 -0.94 105.19 104.02 2ji8 n GLY 456 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2ji8 n GLY 456 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2ji8 h PHE 457 N 0.00 0.00 0.00 1.61 -1.00 -1.59 -3.37 116.94 112.60 2ji8 h PHE 457 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ji8 h PHE 457 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2ji8 h PHE 457 CO 0.00 0.79 -0.06 -1.13 -1.61 0.00 0.00 178.31 176.30 2ji8 n SER 458 N -3.27 1.16 -0.27 2.17 3.41 -0.87 -4.88 113.62 111.08 2ji8 n SER 458 Ca -0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2ji8 n SER 458 Cb 0.86 -0.09 0.13 0.00 -0.26 0.00 0.00 64.21 64.85 2ji8 n SER 458 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ji8 h GLY 459 N 0.00 1.14 1.71 5.00 0.00 -1.20 -1.39 103.07 108.33 2ji8 h GLY 459 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2ji8 h GLY 459 CO 0.00 0.18 0.14 1.98 0.00 0.00 0.00 176.54 178.84 2ji8 h MET 460 N 0.79 0.00 0.00 4.80 -1.53 -1.89 -0.76 114.93 116.33 2ji8 h MET 460 Ca 0.35 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.61 2ji8 h MET 460 Cb 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.28 2ji8 h MET 460 CO -0.20 0.00 0.00 0.39 0.14 0.00 0.00 176.91 177.24 2ji8 n GLU 461 N -3.08 0.06 -0.34 0.39 -0.58 -0.53 -2.48 120.64 114.08 2ji8 n GLU 461 Ca -0.02 0.21 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 2ji8 n GLU 461 Cb 0.20 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.83 2ji8 n GLU 461 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ji8 n LEU 462 N -1.44 -0.16 0.02 -4.62 4.32 -0.29 -1.09 117.00 113.73 2ji8 n LEU 462 Ca 0.05 1.67 -0.01 0.00 -0.02 0.00 0.00 56.01 57.70 2ji8 n LEU 462 Cb 0.16 -0.59 0.28 0.00 -1.62 0.00 0.00 43.42 41.66 2ji8 n LEU 462 CO 0.14 -1.67 0.88 -0.08 -1.22 0.00 0.00 177.39 175.43 2ji8 h GLU 463 N 0.00 0.48 -0.24 3.23 4.22 -1.74 -0.43 114.58 120.10 2ji8 h GLU 463 Ca 0.57 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.87 2ji8 h GLU 463 Cb 1.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2ji8 h GLU 463 CO -0.94 0.57 0.07 1.15 -2.18 0.00 0.00 179.01 177.68 2ji8 h THR 464 N 0.45 1.20 -1.00 0.32 2.02 -1.30 0.20 112.91 114.80 2ji8 h THR 464 Ca 0.09 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.65 2ji8 h THR 464 Cb 0.42 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 2ji8 h THR 464 CO 0.02 0.20 0.66 0.40 0.37 0.00 0.00 175.52 177.17 2ji8 h ILE 465 N 0.21 1.26 -0.22 3.11 2.04 -0.57 -2.34 117.51 121.00 2ji8 h ILE 465 Ca 0.08 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 2ji8 h ILE 465 Cb 0.25 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2ji8 h ILE 465 CO -0.00 0.25 -0.12 0.00 0.00 0.00 0.00 178.15 178.27 2ji8 h ARG 467 N 0.17 0.45 -0.38 0.00 2.43 -0.62 -0.51 114.38 115.92 2ji8 h ARG 467 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2ji8 h ARG 467 Cb 0.62 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2ji8 h ARG 467 CO 0.03 0.30 0.00 0.66 -1.51 0.00 0.00 179.97 179.45 2ji8 n TYR 468 N -4.47 0.49 -3.81 2.20 4.01 -0.91 -4.98 117.16 109.68 2ji8 n TYR 468 Ca 0.09 -0.24 -0.24 0.00 -0.16 0.00 0.00 57.90 57.34 2ji8 n TYR 468 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 2ji8 n TYR 468 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2ji8 n ASN 469 N 1.29 -1.07 -4.84 7.72 3.02 -0.20 -4.93 115.26 116.24 2ji8 n ASN 469 Ca 0.19 -0.92 -0.35 0.00 -0.03 0.00 0.00 54.58 53.47 2ji8 n ASN 469 Cb 0.55 -3.55 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 2ji8 n ASN 469 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ji8 s LEU 470 N -6.78 4.34 -1.20 3.41 1.43 -0.88 -4.74 118.68 114.26 2ji8 s LEU 470 Ca 0.04 1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 54.13 2ji8 s LEU 470 Cb -0.01 -3.25 -0.07 0.00 0.03 0.00 0.00 46.19 42.89 2ji8 s LEU 470 CO 0.85 0.11 2.44 -0.81 0.23 0.00 0.00 176.35 179.17 2ji8 n PRO 471 N 0.83 2.71 -4.63 1.29 -0.04 -1.26 -2.23 135.00 131.68 2ji8 n PRO 471 Ca -0.05 -1.79 -0.33 0.00 -0.04 0.00 0.00 63.50 61.28 2ji8 n PRO 471 Cb 0.52 -2.63 -0.14 0.00 -0.04 0.00 0.00 33.50 31.21 2ji8 n PRO 471 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ji8 s VAL 472 N 2.98 3.04 -0.31 0.52 1.01 -1.25 -1.60 120.40 124.79 2ji8 s VAL 472 Ca 0.52 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2ji8 s VAL 472 Cb 0.13 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2ji8 s VAL 472 CO -0.04 0.51 0.05 -0.89 0.00 0.00 0.00 175.10 174.73 2ji8 s THR 473 N 0.54 3.48 -0.32 3.92 2.01 -0.53 -0.91 115.64 123.83 2ji8 s THR 473 Ca -0.08 -1.12 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 2ji8 s THR 473 Cb -0.16 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2ji8 s THR 473 CO 0.04 -0.07 0.40 -0.69 -0.69 0.00 0.00 174.62 173.60 2ji8 s VAL 474 N 1.37 5.14 -0.33 3.82 1.01 -0.58 -1.20 120.40 129.62 2ji8 s VAL 474 Ca -0.02 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2ji8 s VAL 474 Cb -0.19 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2ji8 s VAL 474 CO 0.01 -0.04 0.20 -0.63 0.00 0.00 0.00 175.10 174.64 2ji8 s ILE 475 N 2.11 4.99 -0.24 2.22 1.01 0.10 -0.02 121.20 131.37 2ji8 s ILE 475 Ca 0.14 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.31 2ji8 s ILE 475 Cb -0.16 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2ji8 s ILE 475 CO 0.11 0.02 0.46 -0.63 0.00 0.00 0.00 174.94 174.90 2ji8 s ILE 476 N 1.67 5.13 -1.26 2.92 -1.09 -0.47 -0.87 121.20 127.23 2ji8 s ILE 476 Ca 0.05 0.78 -0.17 0.00 -2.23 0.00 0.00 60.65 59.09 2ji8 s ILE 476 Cb -0.17 -3.78 0.11 0.00 -1.58 0.00 0.00 42.46 37.04 2ji8 s ILE 476 CO 0.09 0.16 1.62 -0.04 -1.23 0.00 0.00 174.94 175.53 2ji8 s MET 477 N 1.91 4.02 -1.16 2.79 -1.94 0.29 -1.25 119.30 123.95 2ji8 s MET 477 Ca 0.20 -2.19 -0.20 0.00 -1.71 0.00 0.00 55.69 51.79 2ji8 s MET 477 Cb -0.15 -5.36 0.08 0.00 2.01 0.00 0.00 34.83 31.40 2ji8 s MET 477 CO 0.09 -2.08 1.57 1.21 -0.01 0.00 0.00 175.02 175.80 2ji8 s ASN 478 N 3.74 6.72 0.00 3.03 3.84 -0.28 -3.63 114.94 128.36 2ji8 s ASN 478 Ca 0.50 -2.10 0.24 0.00 0.21 0.00 0.00 52.86 51.71 2ji8 s ASN 478 Cb 0.01 -2.55 0.32 0.00 -0.55 0.00 0.00 41.25 38.48 2ji8 s ASN 478 CO 0.05 -1.25 1.30 -0.46 -2.79 0.00 0.00 177.10 173.94 2ji8 n ASN 479 N 8.23 1.78 -0.10 -4.21 6.94 -1.26 -1.85 115.26 124.78 2ji8 n ASN 479 Ca 0.40 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.60 2ji8 n ASN 479 Cb 0.48 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 2ji8 n ASN 479 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ji8 n GLY 480 N 1.37 0.97 0.00 4.83 0.00 -1.26 -3.44 105.19 107.66 2ji8 n GLY 480 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2ji8 n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ji8 n GLY 481 N -0.79 -2.24 3.59 -0.02 0.00 -1.26 -1.84 105.19 102.63 2ji8 n GLY 481 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2ji8 n GLY 481 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ji8 s ILE 482 N -2.35 4.78 0.00 -0.61 1.01 0.70 -4.42 121.20 120.30 2ji8 s ILE 482 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.53 2ji8 s ILE 482 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2ji8 s ILE 482 CO 0.00 -0.37 0.00 -1.22 0.00 0.00 0.00 174.94 173.35 2ji8 n TYR 483 N 6.29 0.00 -4.04 3.97 4.01 -1.26 -4.76 117.16 121.36 2ji8 n TYR 483 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 2ji8 n TYR 483 Cb 0.48 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.41 2ji8 n TYR 483 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2ji8 s LYS 484 N 0.00 0.47 -0.02 -0.72 1.02 -1.26 -3.88 119.74 115.35 2ji8 s LYS 484 Ca 0.00 -0.87 0.13 0.00 0.02 0.00 0.00 55.97 55.25 2ji8 s LYS 484 Cb 0.00 0.06 0.40 0.00 -0.52 0.00 0.00 37.83 37.77 2ji8 s LYS 484 CO 0.00 -0.05 1.33 0.41 -0.92 0.00 0.00 175.35 176.12 2ji8 n GLY 485 N 1.00 2.83 0.16 -3.33 0.00 -0.17 -4.19 105.19 101.48 2ji8 n GLY 485 Ca -0.20 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.36 2ji8 n GLY 485 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ji8 n ASN 486 N 0.64 1.55 -4.74 1.61 6.94 -1.26 -4.81 115.26 115.19 2ji8 n ASN 486 Ca 0.15 -2.51 -0.42 0.00 -0.02 0.00 0.00 54.58 51.78 2ji8 n ASN 486 Cb 0.52 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.63 2ji8 n ASN 486 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ji8 s GLU 487 N -1.68 4.23 0.53 -3.83 2.12 -1.26 -4.94 118.70 113.86 2ji8 s GLU 487 Ca 0.17 2.37 -0.20 0.00 0.36 0.00 0.00 54.97 57.67 2ji8 s GLU 487 Cb 0.15 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.37 2ji8 s GLU 487 CO 0.02 -0.51 1.15 0.00 -0.54 0.00 0.00 175.26 175.37 2ji8 s ALA 488 N 0.30 2.75 -0.06 6.30 0.00 -1.26 -4.67 121.76 125.13 2ji8 s ALA 488 Ca 0.63 0.87 -0.34 0.00 0.00 0.00 0.00 51.96 53.12 2ji8 s ALA 488 Cb -0.43 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.19 2ji8 s ALA 488 CO 0.41 -0.78 1.84 -0.25 0.00 0.00 0.00 175.76 176.98 2ji8 n ASP 489 N -1.13 3.39 0.04 0.00 9.92 -1.26 -4.47 116.55 123.04 2ji8 n ASP 489 Ca 0.11 0.99 -0.00 0.00 -0.53 0.00 0.00 54.79 55.35 2ji8 n ASP 489 Cb 0.50 -1.38 0.30 0.00 -0.64 0.00 0.00 41.12 39.90 2ji8 n ASP 489 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2ji8 h PRO 490 N 8.74 0.42 -5.31 -0.24 0.13 -1.89 -3.45 132.00 130.40 2ji8 h PRO 490 Ca -0.48 -0.11 -0.39 0.00 -0.87 0.00 0.00 66.00 64.15 2ji8 h PRO 490 Cb 1.27 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 2ji8 h PRO 490 CO 0.94 0.54 -0.73 -0.65 -0.23 0.00 0.00 178.00 177.87 2ji8 s GLN 491 N -4.74 1.16 -0.17 0.86 -1.52 -1.26 -5.06 119.66 108.93 2ji8 s GLN 491 Ca -0.07 -1.47 -0.35 0.00 -1.95 0.00 0.00 55.36 51.52 2ji8 s GLN 491 Cb 0.15 -0.86 -0.12 0.00 -0.22 0.00 0.00 33.01 31.96 2ji8 s GLN 491 CO 0.76 0.13 1.95 -2.30 -0.25 0.00 0.00 175.29 175.59 2ji8 n PRO 492 N -0.16 1.85 -1.23 2.91 -0.02 -1.26 -1.25 135.00 135.85 2ji8 n PRO 492 Ca -0.10 0.65 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 2ji8 n PRO 492 Cb 0.60 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2ji8 n PRO 492 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ji8 n GLY 493 N 4.88 0.92 3.41 -1.23 0.00 -1.26 -5.00 105.19 106.90 2ji8 n GLY 493 Ca 0.27 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2ji8 n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ji8 s VAL 494 N -2.07 4.03 0.20 1.61 1.01 -0.38 -5.09 120.40 119.72 2ji8 s VAL 494 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2ji8 s VAL 494 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 2ji8 s VAL 494 CO 0.00 0.37 1.14 -0.51 0.00 0.00 0.00 175.10 176.09 2ji8 s ILE 495 N 1.56 3.67 0.65 2.22 2.07 -1.26 -3.69 121.20 126.41 2ji8 s ILE 495 Ca 0.06 1.47 -0.17 0.00 -1.41 0.00 0.00 60.65 60.60 2ji8 s ILE 495 Cb -0.15 -3.94 -0.01 0.00 0.13 0.00 0.00 42.46 38.50 2ji8 s ILE 495 CO 0.02 0.27 1.25 -0.55 -1.91 0.00 0.00 174.94 174.01 2ji8 s SER 496 N -0.17 4.67 0.55 4.50 0.15 -1.26 -4.85 113.70 117.28 2ji8 s SER 496 Ca 0.50 2.49 0.35 0.00 0.70 0.00 0.00 55.95 59.98 2ji8 s SER 496 Cb -0.31 -2.61 1.48 0.00 -1.71 0.00 0.00 66.02 62.88 2ji8 s SER 496 CO 0.37 -1.95 2.02 0.00 1.20 0.00 0.00 173.24 174.88 2ji8 n THR 498 N -3.05 0.00 -2.56 0.00 -2.24 -1.26 -4.93 114.28 100.24 2ji8 n THR 498 Ca 0.00 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 2ji8 n THR 498 Cb 0.27 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 2ji8 n THR 498 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ji8 s ARG 499 N -2.75 4.67 0.09 -0.78 1.81 -1.03 -0.22 118.95 120.75 2ji8 s ARG 499 Ca 0.17 1.69 0.08 0.00 -1.72 0.00 0.00 55.73 55.95 2ji8 s ARG 499 Cb 0.18 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 2ji8 s ARG 499 CO 0.62 0.23 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.76 2ji8 s LEU 500 N -0.95 2.28 0.21 2.53 1.43 -0.77 -4.88 118.68 118.54 2ji8 s LEU 500 Ca 0.45 -0.66 -0.32 0.00 -1.03 0.00 0.00 54.13 52.58 2ji8 s LEU 500 Cb -0.29 -0.86 -0.13 0.00 0.03 0.00 0.00 46.19 44.94 2ji8 s LEU 500 CO 0.36 0.06 1.63 0.41 0.23 0.00 0.00 176.35 179.04 2ji8 n THR 501 N 1.21 0.25 -1.69 5.49 -1.04 -1.26 -4.30 114.28 112.94 2ji8 n THR 501 Ca -0.19 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 2ji8 n THR 501 Cb 0.54 -1.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.24 2ji8 n THR 501 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2ji8 n ARG 502 N 3.33 2.94 -2.32 -2.82 3.00 -1.26 -4.84 116.66 114.69 2ji8 n ARG 502 Ca 0.15 -2.57 -0.27 0.00 -0.00 0.00 0.00 57.85 55.16 2ji8 n ARG 502 Cb 0.33 -3.24 0.04 0.00 0.00 0.00 0.00 32.46 29.59 2ji8 n ARG 502 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ji8 s GLY 503 N 3.08 1.63 -1.28 5.14 0.00 -1.26 -4.97 107.32 109.65 2ji8 s GLY 503 Ca 0.49 -0.73 -0.14 0.00 0.00 0.00 0.00 44.72 44.34 2ji8 s GLY 503 CO -0.09 -0.42 1.71 0.54 0.00 0.00 0.00 173.10 174.85 2ji8 n ARG 504 N -2.68 3.32 0.25 2.90 5.12 -1.26 -4.76 116.66 119.55 2ji8 n ARG 504 Ca 0.05 -3.48 0.09 0.00 -1.93 0.00 0.00 57.85 52.58 2ji8 n ARG 504 Cb 0.58 -3.15 0.65 0.00 -1.16 0.00 0.00 32.46 29.38 2ji8 n ARG 504 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2ji8 h TYR 505 N 6.77 0.00 -0.97 -1.55 0.05 -1.96 -1.05 116.97 118.26 2ji8 h TYR 505 Ca 0.40 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.24 2ji8 h TYR 505 Cb 0.79 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.46 2ji8 h TYR 505 CO 1.26 0.09 0.63 0.38 -1.05 0.00 0.00 178.16 179.47 2ji8 h ASP 506 N 0.00 1.01 -0.54 3.88 2.03 -1.86 -1.53 116.42 119.40 2ji8 h ASP 506 Ca -0.00 0.01 -0.12 0.00 -0.73 0.00 0.00 57.03 56.19 2ji8 h ASP 506 Cb 0.18 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.46 2ji8 h ASP 506 CO 0.01 0.65 -0.11 0.24 -1.03 0.00 0.00 179.24 179.00 2ji8 h MET 507 N 1.15 1.04 -0.27 4.15 2.86 -1.59 -2.26 114.93 120.00 2ji8 h MET 507 Ca 0.41 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2ji8 h MET 507 Cb 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2ji8 h MET 507 CO -0.16 1.08 0.18 1.98 1.06 0.00 0.00 176.91 181.05 2ji8 h MET 508 N 0.92 0.35 -0.62 1.72 -1.53 -1.29 -1.23 114.93 113.24 2ji8 h MET 508 Ca 0.14 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.43 2ji8 h MET 508 Cb 0.69 -0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.61 2ji8 h MET 508 CO 0.05 0.23 0.34 1.98 0.14 0.00 0.00 176.91 179.66 2ji8 h MET 509 N 0.37 0.62 0.00 0.39 -1.53 -1.17 -2.44 114.93 111.16 2ji8 h MET 509 Ca 0.10 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.29 2ji8 h MET 509 Cb -0.04 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 30.87 2ji8 h MET 509 CO -0.02 0.41 -0.14 0.93 0.14 0.00 0.00 176.91 178.23 2ji8 h GLU 510 N 0.64 0.00 -0.24 0.39 5.08 -1.23 -2.29 114.58 116.93 2ji8 h GLU 510 Ca 0.27 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2ji8 h GLU 510 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ji8 h GLU 510 CO -0.17 0.14 0.19 0.00 -1.00 0.00 0.00 179.01 178.18 2ji8 h ALA 511 N 1.86 2.09 -0.35 3.43 0.00 -0.71 -2.68 119.26 122.90 2ji8 h ALA 511 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ji8 h ALA 511 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2ji8 h ALA 511 CO 0.02 -0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.14 2ji8 n PHE 512 N -4.22 0.46 0.00 0.00 3.72 -1.00 -4.97 117.46 111.45 2ji8 n PHE 512 Ca 0.03 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2ji8 n PHE 512 Cb 0.34 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 2ji8 n PHE 512 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ji8 n GLY 513 N 0.73 0.69 3.95 1.37 0.00 -1.01 -4.72 105.19 106.19 2ji8 n GLY 513 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2ji8 n GLY 513 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ji8 s GLY 514 N -1.20 1.74 -0.18 -0.02 0.00 -0.89 -4.97 107.32 101.80 2ji8 s GLY 514 Ca 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 2ji8 s GLY 514 CO 0.00 -0.72 0.16 1.25 0.00 0.00 0.00 173.10 173.79 2ji8 s LYS 515 N -5.34 4.06 0.04 2.90 2.36 -0.47 -3.87 119.74 119.43 2ji8 s LYS 515 Ca 0.65 -0.14 0.05 0.00 -2.55 0.00 0.00 55.97 53.98 2ji8 s LYS 515 Cb -0.07 -3.38 -0.04 0.00 -1.05 0.00 0.00 37.83 33.29 2ji8 s LYS 515 CO 0.46 0.38 -0.08 0.20 1.55 0.00 0.00 175.35 177.86 2ji8 s GLY 516 N 0.10 1.75 0.02 5.54 0.00 -1.26 -0.45 107.32 113.02 2ji8 s GLY 516 Ca 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.75 2ji8 s GLY 516 CO 0.00 -1.00 -0.06 -0.19 0.00 0.00 0.00 173.10 171.85 2ji8 s TYR 517 N -1.06 0.54 -0.18 1.90 1.51 0.24 -4.94 117.35 115.36 2ji8 s TYR 517 Ca 0.18 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 2ji8 s TYR 517 Cb -0.11 -0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 2ji8 s TYR 517 CO 0.10 -0.06 -0.04 0.08 -1.11 0.00 0.00 175.55 174.51 2ji8 s VAL 518 N -0.90 3.71 -0.29 0.71 1.01 -1.26 0.05 120.40 123.43 2ji8 s VAL 518 Ca -0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2ji8 s VAL 518 Cb -0.07 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.72 2ji8 s VAL 518 CO 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 2ji8 s ALA 519 N 0.76 2.75 -0.56 5.51 0.00 -0.49 -4.92 121.76 124.81 2ji8 s ALA 519 Ca -0.02 -1.81 0.23 0.00 0.00 0.00 0.00 51.96 50.37 2ji8 s ALA 519 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2ji8 s ALA 519 CO 0.02 -1.28 0.99 0.09 0.00 0.00 0.00 175.76 175.58 2ji8 n ASN 520 N 4.55 0.60 -4.09 0.00 5.03 -1.26 -1.31 115.26 118.77 2ji8 n ASN 520 Ca -0.13 -0.19 -0.08 0.00 0.87 0.00 0.00 54.58 55.05 2ji8 n ASN 520 Cb 0.43 0.86 -0.10 0.00 -1.02 0.00 0.00 39.78 39.95 2ji8 n ASN 520 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2ji8 s THR 521 N -3.22 0.16 0.29 3.41 -4.23 -1.26 0.14 115.64 110.93 2ji8 s THR 521 Ca 0.03 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 2ji8 s THR 521 Cb 0.14 -1.74 0.29 0.00 1.34 0.00 0.00 72.50 72.53 2ji8 s THR 521 CO 0.81 -0.72 1.83 -0.65 -0.54 0.00 0.00 174.62 175.35 2ji8 h PRO 522 N 2.98 0.92 -0.73 3.99 0.11 -1.93 -0.21 132.00 137.12 2ji8 h PRO 522 Ca -0.34 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 2ji8 h PRO 522 Cb 1.17 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 2ji8 h PRO 522 CO 0.62 0.61 0.37 0.00 -0.21 0.00 0.00 178.00 179.39 2ji8 h ALA 523 N 1.56 0.94 -0.41 -0.75 0.00 -1.97 -0.29 119.26 118.33 2ji8 h ALA 523 Ca 0.51 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2ji8 h ALA 523 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ji8 h ALA 523 CO -0.28 0.48 -0.25 0.93 0.00 0.00 0.00 179.25 180.13 2ji8 h GLU 524 N 1.01 0.90 -0.56 0.00 5.08 -1.81 -2.29 114.58 116.92 2ji8 h GLU 524 Ca 0.25 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ji8 h GLU 524 Cb 0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ji8 h GLU 524 CO -0.04 1.06 0.35 1.25 -1.00 0.00 0.00 179.01 180.63 2ji8 h LEU 525 N 0.72 0.67 -0.25 1.33 5.85 -0.86 -2.26 115.31 120.52 2ji8 h LEU 525 Ca 0.09 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2ji8 h LEU 525 Cb 0.82 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2ji8 h LEU 525 CO 0.07 0.52 0.07 0.50 -0.34 0.00 0.00 178.44 179.26 2ji8 h LYS 526 N 0.76 0.39 -0.37 1.25 3.64 -0.95 -0.83 116.57 120.45 2ji8 h LYS 526 Ca 0.20 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2ji8 h LYS 526 Cb -0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2ji8 h LYS 526 CO -0.04 0.48 -0.19 0.00 -2.27 0.00 0.00 179.45 177.42 2ji8 h ALA 527 N 0.90 0.96 -0.36 5.00 0.00 -1.40 -1.52 119.26 122.85 2ji8 h ALA 527 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2ji8 h ALA 527 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ji8 h ALA 527 CO -0.00 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 2ji8 h ALA 528 N 1.16 0.48 -0.34 0.00 0.00 -1.29 -1.91 119.26 117.35 2ji8 h ALA 528 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2ji8 h ALA 528 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ji8 h ALA 528 CO 0.05 0.26 0.00 1.25 0.00 0.00 0.00 179.25 180.81 2ji8 h LEU 529 N 0.45 0.59 -0.59 0.00 5.85 -1.03 0.16 115.31 120.74 2ji8 h LEU 529 Ca 0.10 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2ji8 h LEU 529 Cb 0.48 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2ji8 h LEU 529 CO 0.02 0.75 0.33 -0.33 -0.34 0.00 0.00 178.44 178.88 2ji8 h GLU 530 N 0.41 0.82 -0.45 1.25 5.08 -1.29 -1.29 114.58 119.11 2ji8 h GLU 530 Ca 0.10 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 2ji8 h GLU 530 Cb 0.45 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ji8 h GLU 530 CO 0.02 0.62 -0.22 1.49 -1.00 0.00 0.00 179.01 179.92 2ji8 h GLU 531 N 0.80 0.94 -0.21 2.33 4.81 -1.23 -2.44 114.58 119.59 2ji8 h GLU 531 Ca 0.21 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2ji8 h GLU 531 Cb 0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2ji8 h GLU 531 CO -0.03 1.08 0.04 0.00 -0.73 0.00 0.00 179.01 179.36 2ji8 h ALA 532 N 0.84 0.27 -0.38 2.92 0.00 -0.48 -2.21 119.26 120.23 2ji8 h ALA 532 Ca 0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2ji8 h ALA 532 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ji8 h ALA 532 CO 0.07 -0.06 -0.12 0.28 0.00 0.00 0.00 179.25 179.42 2ji8 h VAL 533 N 0.14 1.28 -0.10 0.00 2.07 -1.29 -2.79 116.25 115.56 2ji8 h VAL 533 Ca 0.06 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2ji8 h VAL 533 Cb 0.31 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2ji8 h VAL 533 CO 0.00 0.41 0.04 0.00 0.02 0.00 0.00 177.57 178.04 2ji8 h ALA 534 N 0.82 1.89 0.00 1.67 0.00 -1.44 -3.05 119.26 119.15 2ji8 h ALA 534 Ca 0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2ji8 h ALA 534 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ji8 h ALA 534 CO 0.04 0.10 -0.55 0.66 0.00 0.00 0.00 179.25 179.50 2ji8 h SER 535 N 0.14 0.00 -1.16 0.00 4.64 -1.11 -3.47 113.55 112.59 2ji8 h SER 535 Ca 0.04 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.09 2ji8 h SER 535 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 2ji8 h SER 535 CO -0.00 0.55 -0.28 0.61 -0.87 0.00 0.00 176.83 176.83 2ji8 n GLY 536 N 0.18 0.73 3.61 -0.77 0.00 -1.15 -5.01 105.19 102.77 2ji8 n GLY 536 Ca -0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2ji8 n GLY 536 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ji8 s LYS 537 N -3.77 2.13 -0.06 1.61 3.01 -1.26 -4.03 119.74 117.37 2ji8 s LYS 537 Ca 0.00 -1.56 -0.30 0.00 -1.01 0.00 0.00 55.97 53.10 2ji8 s LYS 537 Cb 0.00 -2.03 -0.04 0.00 -1.01 0.00 0.00 37.83 34.74 2ji8 s LYS 537 CO 0.00 0.30 1.36 -1.25 0.51 0.00 0.00 175.35 176.27 2ji8 s PRO 538 N -3.66 4.27 0.14 -1.68 0.04 -0.95 -3.82 135.00 129.35 2ji8 s PRO 538 Ca 0.32 1.87 0.05 0.00 0.04 0.00 0.00 61.00 63.28 2ji8 s PRO 538 Cb -0.05 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 2ji8 s PRO 538 CO 0.19 -0.62 -0.12 0.00 0.04 0.00 0.00 177.00 176.49 2ji8 s LEU 540 N -2.88 1.09 -0.31 0.00 0.20 0.40 -1.52 118.68 115.65 2ji8 s LEU 540 Ca 0.14 -0.08 -0.09 0.00 0.69 0.00 0.00 54.13 54.78 2ji8 s LEU 540 Cb -0.01 -0.37 0.00 0.00 -0.43 0.00 0.00 46.19 45.38 2ji8 s LEU 540 CO 0.02 -0.10 0.14 -0.63 -0.29 0.00 0.00 176.35 175.48 2ji8 s ILE 541 N 1.21 4.42 -0.91 6.68 1.01 0.96 -0.59 121.20 133.99 2ji8 s ILE 541 Ca -0.07 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2ji8 s ILE 541 Cb -0.14 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.15 2ji8 s ILE 541 CO -0.02 0.04 1.20 0.21 0.00 0.00 0.00 174.94 176.37 2ji8 s ASN 542 N 1.58 6.52 -0.34 3.58 2.47 0.11 -1.37 114.94 127.49 2ji8 s ASN 542 Ca 0.04 -1.69 -0.26 0.00 0.42 0.00 0.00 52.86 51.37 2ji8 s ASN 542 Cb -0.17 -2.45 0.01 0.00 -1.45 0.00 0.00 41.25 37.18 2ji8 s ASN 542 CO 0.05 -1.26 0.91 0.00 -3.72 0.00 0.00 177.10 173.08 2ji8 s ALA 543 N 3.60 3.47 -0.50 1.71 0.00 -0.38 -1.40 121.76 128.25 2ji8 s ALA 543 Ca 0.35 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.70 2ji8 s ALA 543 Cb -0.05 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.62 2ji8 s ALA 543 CO -0.06 -1.44 0.99 -1.64 0.00 0.00 0.00 175.76 173.61 2ji8 s MET 544 N 3.33 3.49 -0.05 0.00 1.00 -0.43 -1.12 119.30 125.52 2ji8 s MET 544 Ca 0.38 0.10 -0.02 0.00 0.00 0.00 0.00 55.69 56.14 2ji8 s MET 544 Cb -0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 34.83 30.69 2ji8 s MET 544 CO 0.16 -1.38 0.08 0.42 0.00 0.00 0.00 175.02 174.30 2ji8 s ILE 545 N 4.05 4.86 -0.04 2.53 -1.09 -0.77 -2.58 121.20 128.16 2ji8 s ILE 545 Ca 0.37 -0.22 -0.34 0.00 -2.23 0.00 0.00 60.65 58.24 2ji8 s ILE 545 Cb -0.10 -3.16 -0.12 0.00 -1.58 0.00 0.00 42.46 37.49 2ji8 s ILE 545 CO 0.25 0.47 1.82 -0.67 -1.23 0.00 0.00 174.94 175.57 2ji8 n ASP 546 N 1.56 3.37 -0.20 3.58 -0.08 0.31 -4.19 116.55 120.89 2ji8 n ASP 546 Ca -0.16 1.00 0.28 0.00 -1.51 0.00 0.00 54.79 54.40 2ji8 n ASP 546 Cb 0.53 -1.38 0.71 0.00 2.34 0.00 0.00 41.12 43.32 2ji8 n ASP 546 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ji8 h PRO 547 N 8.51 0.04 -0.69 -0.67 0.11 -1.90 -1.60 132.00 135.80 2ji8 h PRO 547 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ji8 h PRO 547 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ji8 h PRO 547 CO 0.94 0.03 0.00 -3.47 -0.21 0.00 0.00 178.00 175.28 2ji8 n ASP 548 N -4.29 4.54 0.12 -2.05 2.03 -1.26 -1.00 116.55 114.64 2ji8 n ASP 548 Ca 0.19 -2.29 0.13 0.00 0.52 0.00 0.00 54.79 53.34 2ji8 n ASP 548 Cb 0.97 -0.56 0.40 0.00 -0.72 0.00 0.00 41.12 41.21 2ji8 n ASP 548 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ji8 h ALA 549 N 4.24 1.00 -2.07 -1.67 0.00 -1.62 -3.47 119.26 115.67 2ji8 h ALA 549 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2ji8 h ALA 549 Cb 1.30 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.14 2ji8 h ALA 549 CO 0.15 0.00 -0.00 0.20 0.00 0.00 0.00 179.25 179.60 2ji8 s GLY 550 N -3.64 1.64 0.33 0.00 0.00 -1.25 -4.79 107.32 99.61 2ji8 s GLY 550 Ca 0.10 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 43.87 2ji8 s GLY 550 CO 0.58 -0.80 -0.02 -1.34 0.00 0.00 0.00 173.10 171.52 2ji8 s VAL 551 N -2.74 2.65 -0.15 1.40 -7.23 -1.26 -4.87 120.40 108.20 2ji8 s VAL 551 Ca 0.52 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.37 2ji8 s VAL 551 Cb -0.10 -2.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 2ji8 s VAL 551 CO 0.40 -0.24 2.04 -0.70 -0.31 0.00 0.00 175.10 176.29 2ji8 s GLU 552 N -3.68 3.53 0.00 4.82 2.56 -1.26 -3.05 118.70 121.62 2ji8 s GLU 552 Ca 0.34 2.12 0.00 0.00 0.00 0.00 0.00 54.97 57.43 2ji8 s GLU 552 Cb -0.01 -4.26 0.00 0.00 2.00 0.00 0.00 34.13 31.86 2ji8 s GLU 552 CO 0.19 -1.64 0.00 0.43 -0.56 0.00 0.00 175.26 173.67 2ji8 n SER 553 N 9.95 -4.38 0.00 -1.70 7.64 -1.26 -3.89 113.62 119.99 2ji8 n SER 553 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ji8 n SER 553 Cb 0.44 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 2ji8 n SER 553 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ji8 n GLY 554 N -0.58 1.08 0.24 0.23 0.00 -1.17 -3.48 105.19 101.51 2ji8 n GLY 554 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 2ji8 n GLY 554 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ji8 h ARG 555 N 0.00 0.53 -1.62 1.61 2.47 -1.87 -3.22 114.38 112.28 2ji8 h ARG 555 Ca 0.00 -0.22 -0.41 0.00 -1.26 0.00 0.00 59.98 58.09 2ji8 h ARG 555 Cb 0.00 -0.02 -0.16 0.00 -1.65 0.00 0.00 29.97 28.14 2ji8 h ARG 555 CO 0.00 0.77 0.45 0.44 0.56 0.00 0.00 179.97 182.19 2ji8 n ILE 556 N -4.09 3.01 -0.06 2.04 -5.35 -1.23 -4.50 119.36 109.19 2ji8 n ILE 556 Ca -0.01 -2.16 -0.01 0.00 -0.27 0.00 0.00 62.75 60.30 2ji8 n ILE 556 Cb 0.44 -1.40 0.26 0.00 -1.74 0.00 0.00 39.64 37.20 2ji8 n ILE 556 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2ji8 h LYS 557 N 1.97 0.66 0.00 6.28 3.64 -1.67 -3.06 116.57 124.39 2ji8 h LYS 557 Ca 0.35 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2ji8 h LYS 557 Cb 0.84 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2ji8 h LYS 557 CO 0.87 0.62 0.00 0.66 -2.27 0.00 0.00 179.45 179.33 2ji8 h SER 558 N 0.64 0.00 1.15 4.20 4.64 -1.88 -2.97 113.55 119.33 2ji8 h SER 558 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2ji8 h SER 558 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2ji8 h SER 558 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2ji8 n LEU 559 N -2.74 0.41 -4.76 5.97 4.77 -1.16 -4.87 117.00 114.62 2ji8 n LEU 559 Ca 0.01 0.55 -0.35 0.00 -0.03 0.00 0.00 56.01 56.19 2ji8 n LEU 559 Cb 0.25 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2ji8 n LEU 559 CO 0.23 -0.14 0.80 0.20 -1.33 0.00 0.00 177.39 177.15 2ji8 s ASN 560 N -3.77 5.29 -0.19 -1.43 0.01 -1.13 -5.05 114.94 108.67 2ji8 s ASN 560 Ca 0.11 2.24 -0.04 0.00 -0.71 0.00 0.00 52.86 54.46 2ji8 s ASN 560 Cb 0.15 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 2ji8 s ASN 560 CO 0.53 -1.52 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.89 2ji8 s VAL 561 N -1.83 3.71 -2.22 1.60 1.01 -1.26 -5.13 120.40 116.28 2ji8 s VAL 561 Ca 0.74 -0.40 0.18 0.00 0.00 0.00 0.00 61.98 62.49 2ji8 s VAL 561 Cb -0.26 -2.66 0.14 0.00 0.00 0.00 0.00 36.38 33.60 2ji8 s VAL 561 CO 0.33 0.44 1.06 0.52 0.00 0.00 0.00 175.10 177.45