#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ud8 n GLY 2 N 0.00 0.00 3.73 0.44 0.00 -1.26 -4.88 105.19 103.22 1ud8 n GLY 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ud8 n GLY 2 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ud8 s LEU 3 N 0.00 4.38 0.48 0.99 2.96 -1.26 -4.96 118.68 121.27 1ud8 s LEU 3 Ca 0.00 2.62 -0.24 0.00 -0.22 0.00 0.00 54.13 56.29 1ud8 s LEU 3 Cb 0.00 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1ud8 s LEU 3 CO 0.00 -0.75 1.35 0.20 -1.32 0.00 0.00 176.35 175.83 1ud8 s ASN 4 N 0.78 5.75 -0.01 3.68 0.02 -1.26 -4.99 114.94 118.90 1ud8 s ASN 4 Ca 0.65 2.75 -0.12 0.00 -1.02 0.00 0.00 52.86 55.12 1ud8 s ASN 4 Cb -0.42 -2.64 -0.05 0.00 0.02 0.00 0.00 41.25 38.16 1ud8 s ASN 4 CO 0.37 -1.24 0.34 -0.83 0.02 0.00 0.00 177.10 175.76 1ud8 s GLY 5 N -0.80 2.37 -0.05 0.66 0.00 -1.26 -4.89 107.32 103.35 1ud8 s GLY 5 Ca 0.64 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.98 1ud8 s GLY 5 CO 0.50 -0.05 0.09 -1.59 0.00 0.00 0.00 173.10 172.04 1ud8 s THR 6 N -1.13 -0.13 0.08 0.90 2.01 -1.26 -4.49 115.64 111.62 1ud8 s THR 6 Ca 0.24 0.33 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 1ud8 s THR 6 Cb -0.15 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1ud8 s THR 6 CO 0.12 0.14 0.24 -0.32 -0.69 0.00 0.00 174.62 174.11 1ud8 s MET 7 N 1.83 3.46 -0.06 4.92 1.75 -0.33 -0.98 119.30 129.89 1ud8 s MET 7 Ca -0.00 -0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.04 1ud8 s MET 7 Cb -0.12 -3.01 0.02 0.00 2.84 0.00 0.00 34.83 34.56 1ud8 s MET 7 CO -0.04 0.58 -0.08 1.41 -0.65 0.00 0.00 175.02 176.24 1ud8 s MET 8 N -2.60 1.22 -0.60 4.11 1.75 0.42 0.72 119.30 124.33 1ud8 s MET 8 Ca 0.36 -0.24 -0.25 0.00 -1.25 0.00 0.00 55.69 54.31 1ud8 s MET 8 Cb -0.13 -1.11 0.04 0.00 2.84 0.00 0.00 34.83 36.47 1ud8 s MET 8 CO 0.28 -0.05 1.06 -1.14 -0.65 0.00 0.00 175.02 174.52 1ud8 s GLN 9 N 0.87 3.32 -1.47 4.11 0.74 -0.48 0.01 119.66 126.75 1ud8 s GLN 9 Ca -0.12 -0.22 -0.09 0.00 0.05 0.00 0.00 55.36 54.98 1ud8 s GLN 9 Cb -0.15 -4.09 0.03 0.00 1.10 0.00 0.00 33.01 29.90 1ud8 s GLN 9 CO 0.01 -1.69 2.54 0.98 -0.55 0.00 0.00 175.29 176.59 1ud8 n TYR 10 N 8.04 2.70 0.00 1.67 9.36 -0.90 -2.19 117.16 135.85 1ud8 n TYR 10 Ca 0.03 -2.96 0.00 0.00 3.32 0.00 0.00 57.90 58.29 1ud8 n TYR 10 Cb 0.48 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 1ud8 n TYR 10 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1ud8 n TYR 11 N 3.40 0.00 -4.20 2.98 0.18 -1.26 -4.73 117.16 113.53 1ud8 n TYR 11 Ca 0.65 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 60.31 1ud8 n TYR 11 Cb 0.27 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.13 1ud8 n TYR 11 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1ud8 s GLU 12 N -2.00 1.02 0.19 -3.48 -1.05 -1.26 -4.36 118.70 107.76 1ud8 s GLU 12 Ca 0.00 -1.49 -0.12 0.00 -0.15 0.00 0.00 54.97 53.21 1ud8 s GLU 12 Cb 0.00 -0.05 0.15 0.00 -0.44 0.00 0.00 34.13 33.79 1ud8 s GLU 12 CO 0.00 -0.18 1.81 2.35 0.95 0.00 0.00 175.26 180.19 1ud8 h TRP 13 N 2.78 0.60 -0.69 4.83 2.91 -1.93 -3.06 115.95 121.39 1ud8 h TRP 13 Ca -0.36 0.02 -0.38 0.00 1.13 0.00 0.00 58.89 59.31 1ud8 h TRP 13 Cb 1.20 -0.19 -0.21 0.00 -0.51 0.00 0.00 29.16 29.45 1ud8 h TRP 13 CO 0.49 0.32 0.48 0.72 -1.03 0.00 0.00 178.44 179.42 1ud8 n HIS 14 N -4.80 2.13 -0.89 2.65 8.25 -1.26 -4.97 115.22 116.34 1ud8 n HIS 14 Ca 0.05 -1.59 -0.31 0.00 -0.26 0.00 0.00 57.72 55.61 1ud8 n HIS 14 Cb 0.11 -0.80 0.14 0.00 1.12 0.00 0.00 29.99 30.56 1ud8 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ud8 s LEU 15 N -2.33 2.93 0.30 2.41 1.43 -1.16 -4.82 118.68 117.43 1ud8 s LEU 15 Ca 0.40 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.33 1ud8 s LEU 15 Cb 0.33 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 1ud8 s LEU 15 CO 0.06 -2.79 1.10 -1.61 0.23 0.00 0.00 176.35 173.34 1ud8 s GLU 16 N -4.65 4.56 -0.98 1.70 0.41 -1.26 -4.93 118.70 113.56 1ud8 s GLU 16 Ca 0.66 1.79 -0.05 0.00 -0.41 0.00 0.00 54.97 56.96 1ud8 s GLU 16 Cb -0.22 -3.10 0.09 0.00 -1.78 0.00 0.00 34.13 29.12 1ud8 s GLU 16 CO 0.56 0.15 2.54 -1.71 -0.49 0.00 0.00 175.26 176.32 1ud8 n ASN 17 N 1.01 7.42 -1.07 -0.19 5.15 -1.26 -4.39 115.26 121.94 1ud8 n ASN 17 Ca -0.00 -3.16 0.11 0.00 -0.60 0.00 0.00 54.58 50.93 1ud8 n ASN 17 Cb 0.45 -1.31 0.19 0.00 -0.53 0.00 0.00 39.78 38.58 1ud8 n ASN 17 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1ud8 n ASP 18 N 1.39 3.30 -1.74 1.20 5.75 -1.26 -4.95 116.55 120.24 1ud8 n ASP 18 Ca 0.57 -1.96 -0.18 0.00 -0.01 0.00 0.00 54.79 53.20 1ud8 n ASP 18 Cb 0.37 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1ud8 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ud8 n GLY 19 N 1.38 1.22 0.57 6.12 0.00 -0.93 -4.83 105.19 108.72 1ud8 n GLY 19 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1ud8 n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ud8 n GLN 20 N -2.40 1.15 -0.16 1.61 1.13 -1.24 -3.62 117.38 113.86 1ud8 n GLN 20 Ca -0.19 -1.32 0.01 0.00 -1.94 0.00 0.00 57.00 53.56 1ud8 n GLN 20 Cb 0.62 -1.28 0.28 0.00 0.11 0.00 0.00 30.24 29.97 1ud8 n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ud8 h HIS 21 N 2.79 0.84 -0.59 1.08 2.76 -1.71 -1.41 115.15 118.91 1ud8 h HIS 21 Ca 0.00 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1ud8 h HIS 21 Cb 0.61 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1ud8 h HIS 21 CO 0.00 0.55 0.08 -1.49 -1.30 0.00 0.00 177.93 175.77 1ud8 h TRP 22 N 0.89 1.02 -0.25 5.26 -0.00 -1.37 -1.86 115.95 119.63 1ud8 h TRP 22 Ca 0.24 -0.13 -0.11 0.00 -0.00 0.00 0.00 58.89 58.88 1ud8 h TRP 22 Cb -0.06 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.81 1ud8 h TRP 22 CO 0.00 0.87 -0.32 -0.91 -0.00 0.00 0.00 178.44 178.09 1ud8 h ASN 23 N 0.90 0.54 -0.64 -3.49 2.35 -1.65 -1.87 115.58 111.72 1ud8 h ASN 23 Ca 0.18 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1ud8 h ASN 23 Cb 0.42 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1ud8 h ASN 23 CO 0.01 0.83 0.42 0.03 -1.65 0.00 0.00 177.43 177.07 1ud8 h ARG 24 N 0.45 0.84 -0.59 0.81 3.08 -0.80 -2.22 114.38 115.94 1ud8 h ARG 24 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ud8 h ARG 24 Cb 0.78 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1ud8 h ARG 24 CO 0.06 0.55 0.36 1.25 -1.07 0.00 0.00 179.97 181.13 1ud8 h LEU 25 N 0.86 0.71 -2.08 3.04 5.85 -0.97 0.26 115.31 122.98 1ud8 h LEU 25 Ca 0.24 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1ud8 h LEU 25 Cb -0.09 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 1ud8 h LEU 25 CO -0.06 0.56 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.80 1ud8 h HIS 26 N 0.80 0.00 0.02 1.25 2.76 -0.77 -2.22 115.15 116.99 1ud8 h HIS 26 Ca 0.21 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.05 1ud8 h HIS 26 Cb -0.03 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 1ud8 h HIS 26 CO -0.02 0.06 -2.04 -0.25 -1.30 0.00 0.00 177.93 174.37 1ud8 n ASP 27 N -4.09 0.90 0.00 3.26 8.00 -0.90 -4.06 116.55 119.66 1ud8 n ASP 27 Ca -0.03 0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.81 1ud8 n ASP 27 Cb 0.15 0.12 0.71 0.00 -0.02 0.00 0.00 41.12 42.07 1ud8 n ASP 27 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ud8 n ASP 28 N -3.04 0.00 0.00 -2.24 2.03 0.03 -4.31 116.55 109.02 1ud8 n ASP 28 Ca -0.27 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1ud8 n ASP 28 Cb 1.08 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1ud8 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ud8 n ALA 29 N -1.25 -0.10 -0.10 -1.67 0.00 -0.85 -0.57 120.51 115.97 1ud8 n ALA 29 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 1ud8 n ALA 29 Cb 0.21 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ud8 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ud8 h ALA 30 N -1.48 0.11 -0.65 0.00 0.00 -1.87 0.96 119.26 116.33 1ud8 h ALA 30 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1ud8 h ALA 30 Cb 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1ud8 h ALA 30 CO 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 179.25 178.77 1ud8 h ALA 31 N 1.17 0.70 -0.49 0.00 0.00 -1.76 0.37 119.26 119.25 1ud8 h ALA 31 Ca 0.18 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1ud8 h ALA 31 Cb 0.37 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1ud8 h ALA 31 CO -0.42 -0.37 0.14 -0.07 0.00 0.00 0.00 179.25 178.52 1ud8 h LEU 32 N 0.17 0.72 0.25 0.00 3.38 0.75 -0.91 115.31 119.66 1ud8 h LEU 32 Ca 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ud8 h LEU 32 Cb 0.57 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1ud8 h LEU 32 CO -0.52 0.75 -0.22 -1.28 0.09 0.00 0.00 178.44 177.26 1ud8 h SER 33 N 0.66 -0.60 -0.98 -0.43 0.87 0.56 -1.46 113.55 112.17 1ud8 h SER 33 Ca 0.16 0.05 0.22 0.00 -1.23 0.00 0.00 61.79 60.99 1ud8 h SER 33 Cb 0.29 0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.37 1ud8 h SER 33 CO -0.00 -0.34 0.63 -0.78 -0.53 0.00 0.00 176.83 175.81 1ud8 h ASP 34 N -0.50 0.54 1.29 6.23 1.82 -0.11 -0.40 116.42 125.29 1ud8 h ASP 34 Ca -0.01 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1ud8 h ASP 34 Cb 0.45 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1ud8 h ASP 34 CO -0.04 0.17 0.00 0.00 -1.61 0.00 0.00 179.24 177.76 1ud8 h ALA 35 N 1.62 1.00 0.00 -0.78 0.00 -0.73 -3.46 119.26 116.92 1ud8 h ALA 35 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1ud8 h ALA 35 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ud8 h ALA 35 CO -0.28 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1ud8 n GLY 36 N 0.71 1.29 3.67 0.00 0.00 -0.16 -4.28 105.19 106.41 1ud8 n GLY 36 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ud8 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud8 s ILE 37 N -2.00 4.89 -0.33 -0.61 -1.09 -0.59 -4.29 121.20 117.18 1ud8 s ILE 37 Ca 0.00 1.59 0.12 0.00 -2.23 0.00 0.00 60.65 60.13 1ud8 s ILE 37 Cb 0.00 -4.12 -0.16 0.00 -1.58 0.00 0.00 42.46 36.60 1ud8 s ILE 37 CO 0.00 0.02 0.41 0.35 -1.23 0.00 0.00 174.94 174.49 1ud8 n THR 38 N 4.79 0.00 -3.74 2.92 -2.24 -0.15 -4.01 114.28 111.85 1ud8 n THR 38 Ca 0.04 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1ud8 n THR 38 Cb 0.49 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 1ud8 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud8 s ALA 39 N -2.44 -0.82 -0.09 6.98 0.00 -1.08 -0.36 121.76 123.95 1ud8 s ALA 39 Ca 0.01 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1ud8 s ALA 39 Cb 0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1ud8 s ALA 39 CO 0.50 -0.19 -0.08 0.42 0.00 0.00 0.00 175.76 176.41 1ud8 s ILE 40 N 0.63 3.54 -0.35 0.00 -1.09 0.14 -0.43 121.20 123.64 1ud8 s ILE 40 Ca -0.04 -0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 57.76 1ud8 s ILE 40 Cb -0.05 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 1ud8 s ILE 40 CO -0.04 0.57 0.18 0.86 -1.23 0.00 0.00 174.94 175.28 1ud8 s TRP 41 N -0.40 3.22 0.37 3.97 -0.00 0.10 -1.05 118.94 125.16 1ud8 s TRP 41 Ca 0.05 -0.86 -0.08 0.00 -0.00 0.00 0.00 56.10 55.21 1ud8 s TRP 41 Cb -0.12 -2.40 -0.06 0.00 -0.00 0.00 0.00 33.47 30.89 1ud8 s TRP 41 CO 0.02 -0.59 0.71 0.96 -0.00 0.00 0.00 176.95 178.05 1ud8 s ILE 42 N 1.56 4.87 0.95 5.86 -4.36 -0.74 -2.11 121.20 127.23 1ud8 s ILE 42 Ca 0.03 0.42 -0.14 0.00 -0.26 0.00 0.00 60.65 60.70 1ud8 s ILE 42 Cb -0.18 -3.74 0.16 0.00 1.25 0.00 0.00 42.46 39.95 1ud8 s ILE 42 CO 0.06 -0.48 1.17 -2.16 0.24 0.00 0.00 174.94 173.77 1ud8 s PRO 43 N -3.82 0.80 -0.10 0.37 0.04 -1.26 -2.90 135.00 128.12 1ud8 s PRO 43 Ca 0.49 0.11 -0.37 0.00 0.04 0.00 0.00 61.00 61.27 1ud8 s PRO 43 Cb -0.10 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 1ud8 s PRO 43 CO 0.32 -2.40 1.72 -2.30 0.04 0.00 0.00 177.00 174.38 1ud8 n PRO 44 N -3.87 1.67 -0.36 0.56 -0.02 -1.26 -4.43 135.00 127.28 1ud8 n PRO 44 Ca 0.09 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1ud8 n PRO 44 Cb 0.59 -2.36 0.28 0.00 -0.02 0.00 0.00 33.50 31.99 1ud8 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ud8 n ALA 45 N 5.21 2.54 -2.62 3.55 0.00 -1.26 -4.71 120.51 123.22 1ud8 n ALA 45 Ca 0.23 -1.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.30 1ud8 n ALA 45 Cb 0.22 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 1ud8 n ALA 45 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ud8 s TYR 46 N -1.32 2.75 -0.12 0.00 -0.85 -1.26 -4.25 117.35 112.30 1ud8 s TYR 46 Ca 0.42 -0.27 -0.36 0.00 -0.52 0.00 0.00 57.07 56.34 1ud8 s TYR 46 Cb 0.23 -1.40 -0.13 0.00 0.38 0.00 0.00 41.96 41.04 1ud8 s TYR 46 CO 0.26 0.50 1.81 1.17 -1.52 0.00 0.00 175.55 177.77 1ud8 n LYS 47 N -1.03 1.86 -1.94 -3.49 3.00 0.22 -4.84 118.16 111.93 1ud8 n LYS 47 Ca -0.05 0.68 -0.11 0.00 -0.00 0.00 0.00 58.31 58.83 1ud8 n LYS 47 Cb 0.60 -2.47 0.04 0.00 0.00 0.00 0.00 35.03 33.20 1ud8 n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ud8 n GLY 48 N 4.23 1.59 0.31 3.14 0.00 -1.26 -0.21 105.19 112.99 1ud8 n GLY 48 Ca 0.23 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 44.27 1ud8 n GLY 48 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ud8 h ASN 49 N -0.05 -0.00 -5.58 1.61 -0.00 0.86 -3.41 115.58 108.99 1ud8 h ASN 49 Ca -0.15 0.21 -0.28 0.00 -0.00 0.00 0.00 56.30 56.07 1ud8 h ASN 49 Cb 0.66 0.28 -0.11 0.00 -0.00 0.00 0.00 38.32 39.15 1ud8 h ASN 49 CO 0.20 -0.18 -0.35 -0.94 -0.00 0.00 0.00 177.43 176.16 1ud8 s SER 50 N -5.05 0.76 0.20 1.15 1.04 -1.26 -4.84 113.70 105.70 1ud8 s SER 50 Ca -0.12 -1.44 -0.08 0.00 0.48 0.00 0.00 55.95 54.79 1ud8 s SER 50 Cb 0.27 0.56 0.13 0.00 0.10 0.00 0.00 66.02 67.08 1ud8 s SER 50 CO 0.77 -1.12 1.70 -0.61 0.98 0.00 0.00 173.24 174.96 1ud8 h GLN 51 N 2.25 1.09 0.00 4.02 4.15 -1.83 -2.56 115.11 122.23 1ud8 h GLN 51 Ca -0.29 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 58.84 1ud8 h GLN 51 Cb 1.24 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1ud8 h GLN 51 CO 0.41 1.00 0.00 0.00 -1.93 0.00 0.00 178.83 178.31 1ud8 n ALA 52 N -2.47 2.32 -1.80 3.38 0.00 -1.26 -2.57 120.51 118.11 1ud8 n ALA 52 Ca 0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1ud8 n ALA 52 Cb 0.30 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1ud8 n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ud8 s ASP 53 N -1.90 6.70 0.48 0.00 -1.08 -0.97 -4.90 116.67 115.01 1ud8 s ASP 53 Ca 0.29 2.72 0.31 0.00 -0.52 0.00 0.00 52.55 55.34 1ud8 s ASP 53 Cb 0.13 -2.65 1.16 0.00 -1.46 0.00 0.00 42.92 40.11 1ud8 s ASP 53 CO 0.22 -0.61 1.89 0.58 0.52 0.00 0.00 175.17 177.78 1ud8 h VAL 54 N 3.14 0.00 0.00 1.11 2.07 -1.89 -3.40 116.25 117.28 1ud8 h VAL 54 Ca -0.48 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1ud8 h VAL 54 Cb 1.23 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1ud8 h VAL 54 CO 0.68 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.88 1ud8 n GLY 55 N 0.20 1.37 0.08 2.17 0.00 -1.26 -4.38 105.19 103.38 1ud8 n GLY 55 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ud8 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ud8 n TYR 56 N 0.00 0.72 -1.41 1.61 4.01 -1.26 -3.24 117.16 117.59 1ud8 n TYR 56 Ca 0.00 0.21 -0.25 0.00 -0.16 0.00 0.00 57.90 57.70 1ud8 n TYR 56 Cb 0.00 -0.83 -0.06 0.00 -0.31 0.00 0.00 39.34 38.13 1ud8 n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ud8 n GLY 57 N 1.35 4.20 3.66 2.72 0.00 -1.26 -4.91 105.19 110.94 1ud8 n GLY 57 Ca 0.06 -1.77 -0.47 0.00 0.00 0.00 0.00 46.02 43.84 1ud8 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud8 n ALA 58 N 1.01 1.08 -0.02 4.61 0.00 -1.20 0.13 120.51 126.12 1ud8 n ALA 58 Ca 0.47 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 54.31 1ud8 n ALA 58 Cb 0.59 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 1ud8 n ALA 58 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ud8 n TYR 59 N 3.28 0.00 -3.65 0.00 9.36 0.71 -0.53 117.16 126.33 1ud8 n TYR 59 Ca 0.17 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.10 1ud8 n TYR 59 Cb 0.28 -0.23 -0.14 0.00 -0.63 0.00 0.00 39.34 38.62 1ud8 n TYR 59 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ud8 s ASP 60 N -5.84 3.63 0.00 2.98 2.15 -0.82 -4.85 116.67 113.93 1ud8 s ASP 60 Ca -0.10 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 50.82 1ud8 s ASP 60 Cb 0.03 -0.77 0.00 0.00 -0.30 0.00 0.00 42.92 41.88 1ud8 s ASP 60 CO 0.13 -0.35 0.80 0.18 -0.17 0.00 0.00 175.17 175.77 1ud8 n LEU 61 N 4.28 0.00 -0.08 -1.34 4.77 -1.26 -0.26 117.00 123.11 1ud8 n LEU 61 Ca 0.04 0.32 0.09 0.00 -0.03 0.00 0.00 56.01 56.43 1ud8 n LEU 61 Cb 0.38 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1ud8 n LEU 61 CO 0.16 -0.32 0.01 -1.22 -1.33 0.00 0.00 177.39 174.69 1ud8 n TYR 62 N -1.30 0.00 -3.25 -1.77 4.01 -1.26 -4.77 117.16 108.82 1ud8 n TYR 62 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 1ud8 n TYR 62 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1ud8 n TYR 62 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ud8 s ASP 63 N -2.62 6.75 -0.58 7.72 2.15 0.65 -4.92 116.67 125.82 1ud8 s ASP 63 Ca 0.08 -2.58 -0.04 0.00 0.43 0.00 0.00 52.55 50.44 1ud8 s ASP 63 Cb 0.14 -2.25 0.08 0.00 -0.30 0.00 0.00 42.92 40.59 1ud8 s ASP 63 CO 0.70 -0.67 2.69 0.18 -0.17 0.00 0.00 175.17 177.90 1ud8 n LEU 64 N 4.48 6.71 -2.03 -1.34 4.77 -1.26 0.70 117.00 129.03 1ud8 n LEU 64 Ca 0.16 -4.21 -0.10 0.00 -0.03 0.00 0.00 56.01 51.83 1ud8 n LEU 64 Cb 0.47 -1.24 0.04 0.00 -2.33 0.00 0.00 43.42 40.36 1ud8 n LEU 64 CO 0.37 1.78 0.09 0.61 -1.33 0.00 0.00 177.39 178.90 1ud8 n GLY 65 N 0.91 0.17 0.00 -0.72 0.00 -1.26 -2.23 105.19 102.06 1ud8 n GLY 65 Ca 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ud8 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ud8 n GLU 66 N -2.54 2.09 -5.08 1.61 2.13 -1.14 -1.71 120.64 116.00 1ud8 n GLU 66 Ca -0.06 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.45 1ud8 n GLU 66 Cb 0.55 -0.87 -0.15 0.00 0.27 0.00 0.00 31.44 31.24 1ud8 n GLU 66 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ud8 s PHE 67 N -1.59 2.36 -0.81 4.31 0.08 -1.25 -5.01 117.98 116.06 1ud8 s PHE 67 Ca 0.00 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 56.39 1ud8 s PHE 67 Cb 0.00 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1ud8 s PHE 67 CO 0.00 0.06 1.84 1.21 -0.10 0.00 0.00 175.22 178.23 1ud8 s ASN 68 N -0.94 5.37 0.01 1.36 3.84 -1.26 -4.16 114.94 119.17 1ud8 s ASN 68 Ca 0.11 -0.42 -0.02 0.00 0.21 0.00 0.00 52.86 52.75 1ud8 s ASN 68 Cb -0.10 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.04 1ud8 s ASN 68 CO 0.01 -2.46 0.01 -1.10 -2.79 0.00 0.00 177.10 170.77 1ud8 s GLN 69 N 6.76 0.30 -1.49 0.43 -0.21 0.19 -4.54 119.66 121.10 1ud8 s GLN 69 Ca 0.65 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 55.49 1ud8 s GLN 69 Cb -0.08 0.11 0.02 0.00 1.00 0.00 0.00 33.01 34.06 1ud8 s GLN 69 CO 0.06 -0.06 0.77 1.63 -2.12 0.00 0.00 175.29 175.58 1ud8 n LYS 70 N 1.79 -5.64 -0.89 2.91 4.76 -1.26 -2.21 118.16 117.63 1ud8 n LYS 70 Ca -0.22 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1ud8 n LYS 70 Cb 0.56 -5.75 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 1ud8 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ud8 n GLY 71 N -1.64 0.59 3.43 0.72 0.00 -1.26 -4.16 105.19 102.87 1ud8 n GLY 71 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1ud8 n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ud8 s THR 72 N -2.13 0.00 -0.26 2.61 -1.32 -0.94 -4.90 115.64 108.71 1ud8 s THR 72 Ca 0.00 -0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.33 1ud8 s THR 72 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 1ud8 s THR 72 CO 0.00 -0.00 -0.19 0.52 -2.21 0.00 0.00 174.62 172.74 1ud8 n VAL 73 N -0.17 1.54 -2.52 5.08 0.31 -1.26 0.53 118.33 121.84 1ud8 n VAL 73 Ca -0.17 -0.32 -0.27 0.00 -0.01 0.00 0.00 64.34 63.56 1ud8 n VAL 73 Cb 0.64 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.70 1ud8 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ud8 s ARG 74 N -2.48 3.29 0.77 5.55 1.70 -1.26 -2.88 118.95 123.64 1ud8 s ARG 74 Ca -0.36 0.12 -0.03 0.00 -0.47 0.00 0.00 55.73 55.00 1ud8 s ARG 74 Cb 0.12 -2.33 0.15 0.00 -0.57 0.00 0.00 34.95 32.32 1ud8 s ARG 74 CO 0.53 -0.42 1.06 0.95 -1.08 0.00 0.00 175.30 176.34 1ud8 s THR 75 N -2.85 2.08 0.57 4.99 -4.23 -0.64 -4.85 115.64 110.71 1ud8 s THR 75 Ca 0.50 -0.51 0.25 0.00 -1.18 0.00 0.00 61.69 60.76 1ud8 s THR 75 Cb -0.10 -2.57 0.33 0.00 1.34 0.00 0.00 72.50 71.50 1ud8 s THR 75 CO 0.45 0.00 2.22 0.50 -0.54 0.00 0.00 174.62 177.25 1ud8 h LYS 76 N -0.73 0.00 0.00 3.99 3.64 -1.72 -2.26 116.57 119.49 1ud8 h LYS 76 Ca -0.37 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1ud8 h LYS 76 Cb 1.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1ud8 h LYS 76 CO 0.38 0.00 -1.00 1.88 -2.27 0.00 0.00 179.45 178.44 1ud8 h TYR 77 N 0.00 0.00 0.00 1.91 0.05 -1.87 -2.48 116.97 114.57 1ud8 h TYR 77 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ud8 h TYR 77 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1ud8 h TYR 77 CO 0.00 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 177.85 1ud8 n GLY 78 N 1.27 0.83 3.95 3.88 0.00 -0.85 -1.10 105.19 113.16 1ud8 n GLY 78 Ca -0.03 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.90 1ud8 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ud8 s THR 79 N -2.34 2.91 0.14 2.61 -4.23 -1.26 -1.61 115.64 111.86 1ud8 s THR 79 Ca 0.00 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 59.96 1ud8 s THR 79 Cb 0.00 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1ud8 s THR 79 CO 0.00 -0.13 1.75 0.50 -0.54 0.00 0.00 174.62 176.20 1ud8 h LYS 80 N -0.14 0.57 -0.61 3.99 3.64 -0.86 -1.14 116.57 122.01 1ud8 h LYS 80 Ca -0.44 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1ud8 h LYS 80 Cb 1.29 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1ud8 h LYS 80 CO 0.57 0.45 0.36 0.00 -2.27 0.00 0.00 179.45 178.57 1ud8 h ALA 81 N 1.08 1.49 0.00 5.00 0.00 -1.86 -0.80 119.26 124.17 1ud8 h ALA 81 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1ud8 h ALA 81 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ud8 h ALA 81 CO -0.02 0.44 -0.63 1.96 0.00 0.00 0.00 179.25 181.00 1ud8 h GLN 82 N 0.84 0.00 -0.25 0.00 4.20 -1.81 -0.87 115.11 117.22 1ud8 h GLN 82 Ca 0.22 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.74 1ud8 h GLN 82 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ud8 h GLN 82 CO -0.04 0.63 -0.60 1.25 -0.67 0.00 0.00 178.83 179.40 1ud8 h LEU 83 N 0.00 0.96 -0.69 1.46 5.85 -0.30 -1.27 115.31 121.31 1ud8 h LEU 83 Ca -0.01 -0.56 -0.13 0.00 0.84 0.00 0.00 57.88 58.02 1ud8 h LEU 83 Cb 1.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1ud8 h LEU 83 CO 0.08 1.34 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.75 1ud8 h GLU 84 N 0.61 0.48 -0.46 1.25 5.08 -1.08 -0.01 114.58 120.46 1ud8 h GLU 84 Ca -0.00 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1ud8 h GLU 84 Cb 1.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1ud8 h GLU 84 CO 0.13 0.84 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.76 1ud8 h ARG 85 N 0.39 0.84 0.52 2.33 2.43 -1.09 -1.92 114.38 117.89 1ud8 h ARG 85 Ca 0.03 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 1ud8 h ARG 85 Cb 0.94 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1ud8 h ARG 85 CO 0.08 0.93 -0.25 0.00 -1.51 0.00 0.00 179.97 179.22 1ud8 h ALA 86 N 1.09 -0.70 -0.83 2.80 0.00 -0.83 -2.76 119.26 118.04 1ud8 h ALA 86 Ca 0.12 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1ud8 h ALA 86 Cb 0.64 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1ud8 h ALA 86 CO 0.04 -0.74 0.58 0.82 0.00 0.00 0.00 179.25 179.95 1ud8 h ILE 87 N -1.00 0.64 -0.31 0.00 2.04 -0.98 0.20 117.51 118.10 1ud8 h ILE 87 Ca -0.07 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1ud8 h ILE 87 Cb 0.62 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1ud8 h ILE 87 CO 0.12 0.03 -0.07 1.23 0.00 0.00 0.00 178.15 179.46 1ud8 h GLY 88 N 0.16 0.64 0.99 5.37 0.00 -1.26 -2.21 103.07 106.76 1ud8 h GLY 88 Ca 0.41 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1ud8 h GLY 88 CO -0.07 0.48 0.21 0.23 0.00 0.00 0.00 176.54 177.39 1ud8 h SER 89 N 0.37 0.36 -0.38 0.19 0.87 -0.34 -1.78 113.55 112.83 1ud8 h SER 89 Ca 0.08 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1ud8 h SER 89 Cb 0.55 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 1ud8 h SER 89 CO 0.03 0.26 0.09 -0.07 -0.53 0.00 0.00 176.83 176.61 1ud8 h LEU 90 N 0.44 0.03 -0.28 2.23 3.38 -1.21 -1.74 115.31 118.15 1ud8 h LEU 90 Ca 0.12 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1ud8 h LEU 90 Cb -0.04 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1ud8 h LEU 90 CO -0.03 0.05 0.01 0.11 0.09 0.00 0.00 178.44 178.67 1ud8 h LYS 91 N 0.22 0.09 0.00 1.13 1.79 -0.96 -0.20 116.57 118.64 1ud8 h LYS 91 Ca 0.18 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1ud8 h LYS 91 Cb 0.21 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1ud8 h LYS 91 CO -0.23 0.06 -0.03 0.77 -1.08 0.00 0.00 179.45 178.94 1ud8 h SER 92 N 0.09 0.00 -0.74 0.86 0.02 -0.81 -1.29 113.55 111.69 1ud8 h SER 92 Ca 0.14 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.69 1ud8 h SER 92 Cb 0.17 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.48 1ud8 h SER 92 CO -0.22 0.03 0.35 0.59 -1.14 0.00 0.00 176.83 176.44 1ud8 n ASN 93 N -3.70 3.38 -3.96 3.07 3.02 -0.29 -4.95 115.26 111.83 1ud8 n ASN 93 Ca -0.03 -3.69 -0.26 0.00 -0.03 0.00 0.00 54.58 50.57 1ud8 n ASN 93 Cb 0.12 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 1ud8 n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ud8 n ASP 94 N -1.13 -0.49 -4.03 6.41 8.00 -0.49 -4.71 116.55 120.12 1ud8 n ASP 94 Ca 0.49 -1.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.69 1ud8 n ASP 94 Cb 1.38 -3.08 -0.16 0.00 -0.02 0.00 0.00 41.12 39.24 1ud8 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ud8 s ILE 95 N -3.92 1.62 0.65 0.53 1.01 -0.24 -4.74 121.20 116.11 1ud8 s ILE 95 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1ud8 s ILE 95 Cb -0.02 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1ud8 s ILE 95 CO 0.89 0.47 1.11 0.20 0.00 0.00 0.00 174.94 177.60 1ud8 s ASN 96 N 1.46 5.19 -0.22 3.58 0.01 0.51 -3.86 114.94 121.61 1ud8 s ASN 96 Ca 0.05 1.99 0.01 0.00 -0.71 0.00 0.00 52.86 54.20 1ud8 s ASN 96 Cb -0.13 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.01 1ud8 s ASN 96 CO -0.11 -1.57 -0.14 -0.69 -1.51 0.00 0.00 177.10 173.08 1ud8 s VAL 97 N -2.32 2.31 -0.24 1.60 1.01 -1.26 -0.69 120.40 120.81 1ud8 s VAL 97 Ca 0.67 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ud8 s VAL 97 Cb -0.20 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1ud8 s VAL 97 CO 0.40 0.30 0.04 -0.31 0.00 0.00 0.00 175.10 175.54 1ud8 s TYR 98 N 1.25 3.06 0.18 5.22 2.02 -0.21 -0.73 117.35 128.13 1ud8 s TYR 98 Ca -0.00 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 55.96 1ud8 s TYR 98 Cb -0.16 -2.20 -0.08 0.00 -0.40 0.00 0.00 41.96 39.12 1ud8 s TYR 98 CO -0.09 -0.39 0.72 0.20 -1.57 0.00 0.00 175.55 174.43 1ud8 s GLY 99 N 1.55 2.74 -0.01 0.71 0.00 -0.56 -1.79 107.32 109.95 1ud8 s GLY 99 Ca 0.06 0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 1ud8 s GLY 99 CO 0.02 0.65 1.02 -0.35 0.00 0.00 0.00 173.10 174.44 1ud8 s ASP 100 N -1.38 7.30 -0.22 1.64 -1.08 -1.14 -0.94 116.67 120.85 1ud8 s ASP 100 Ca 0.38 1.68 0.01 0.00 -0.52 0.00 0.00 52.55 54.10 1ud8 s ASP 100 Cb -0.20 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 38.73 1ud8 s ASP 100 CO 0.23 -0.33 -0.14 -0.69 0.52 0.00 0.00 175.17 174.76 1ud8 s VAL 101 N 1.23 2.31 -0.46 1.11 1.01 -0.97 -4.56 120.40 120.08 1ud8 s VAL 101 Ca 0.52 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1ud8 s VAL 101 Cb -0.22 -2.12 0.11 0.00 0.00 0.00 0.00 36.38 34.16 1ud8 s VAL 101 CO 0.26 0.33 0.33 -0.69 0.00 0.00 0.00 175.10 175.32 1ud8 s VAL 102 N 1.26 4.21 -0.09 2.92 1.01 -1.26 -1.67 120.40 126.78 1ud8 s VAL 102 Ca 0.01 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.28 1ud8 s VAL 102 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1ud8 s VAL 102 CO -0.09 -0.72 0.35 0.23 0.00 0.00 0.00 175.10 174.87 1ud8 n MET 103 N 4.91 1.88 0.07 2.72 2.81 -1.26 -4.73 117.12 123.52 1ud8 n MET 103 Ca -0.08 -0.35 0.01 0.00 -1.81 0.00 0.00 57.70 55.47 1ud8 n MET 103 Cb 0.41 -0.84 0.36 0.00 -0.71 0.00 0.00 33.22 32.43 1ud8 n MET 103 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1ud8 h ASN 104 N 0.11 0.32 -1.54 7.83 -1.24 -1.90 -3.45 115.58 115.71 1ud8 h ASN 104 Ca 0.00 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 1ud8 h ASN 104 Cb 0.03 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 1ud8 h ASN 104 CO 0.00 0.45 0.02 0.00 -1.29 0.00 0.00 177.43 176.61 1ud8 n HIS 105 N -4.28 -0.99 -3.82 0.67 1.44 -1.26 -2.88 115.22 104.10 1ud8 n HIS 105 Ca 0.00 -0.32 -0.12 0.00 -2.01 0.00 0.00 57.72 55.27 1ud8 n HIS 105 Cb 0.26 0.12 -0.09 0.00 0.12 0.00 0.00 29.99 30.41 1ud8 n HIS 105 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1ud8 s LYS 106 N -2.05 0.62 0.04 -1.40 1.02 -0.83 -4.87 119.74 112.27 1ud8 s LYS 106 Ca 0.03 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 1ud8 s LYS 106 Cb -0.01 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.56 1ud8 s LYS 106 CO 0.02 -0.17 0.09 -1.64 -0.92 0.00 0.00 175.35 172.74 1ud8 s MET 107 N -1.77 0.59 0.00 1.68 -1.94 0.31 -0.89 119.30 117.29 1ud8 s MET 107 Ca -0.11 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1ud8 s MET 107 Cb -0.05 0.23 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1ud8 s MET 107 CO 0.01 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 1ud8 n GLY 108 N 0.75 0.86 3.59 -0.03 0.00 -1.26 -3.83 105.19 105.27 1ud8 n GLY 108 Ca -0.19 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 1ud8 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud8 n ALA 109 N -1.49 -0.24 0.16 4.61 0.00 -1.26 -4.91 120.51 117.38 1ud8 n ALA 109 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1ud8 n ALA 109 Cb 0.39 -2.07 0.08 0.00 0.00 0.00 0.00 19.45 17.85 1ud8 n ALA 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud8 h ASP 110 N 0.03 0.00 -4.93 0.00 3.32 -0.57 -3.48 116.42 110.80 1ud8 h ASP 110 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1ud8 h ASP 110 Cb 1.35 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.74 1ud8 h ASP 110 CO 0.48 0.43 0.24 0.72 -1.72 0.00 0.00 179.24 179.39 1ud8 s PHE 111 N -3.06 -0.57 0.79 4.55 -0.12 -1.13 -5.03 117.98 113.41 1ud8 s PHE 111 Ca 0.04 0.68 -0.10 0.00 -0.05 0.00 0.00 56.93 57.50 1ud8 s PHE 111 Cb 0.08 0.49 0.10 0.00 -0.63 0.00 0.00 43.02 43.06 1ud8 s PHE 111 CO 0.73 -0.70 1.13 0.95 -0.05 0.00 0.00 175.22 177.28 1ud8 s THR 112 N -2.46 2.12 -0.13 -4.49 -4.23 -1.26 -1.48 115.64 103.71 1ud8 s THR 112 Ca -0.04 -0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.19 1ud8 s THR 112 Cb -0.01 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.91 1ud8 s THR 112 CO -0.02 0.00 0.36 -1.61 -0.54 0.00 0.00 174.62 172.81 1ud8 s GLU 113 N -5.48 0.44 0.05 3.99 2.02 0.73 -4.75 118.70 115.69 1ud8 s GLU 113 Ca 0.64 0.45 -0.31 0.00 0.02 0.00 0.00 54.97 55.78 1ud8 s GLU 113 Cb -0.09 0.21 -0.07 0.00 0.10 0.00 0.00 34.13 34.28 1ud8 s GLU 113 CO 0.48 -0.06 1.49 0.00 0.02 0.00 0.00 175.26 177.18 1ud8 s ALA 114 N 0.09 3.62 -0.01 5.21 0.00 -1.26 -2.44 121.76 126.97 1ud8 s ALA 114 Ca -0.01 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1ud8 s ALA 114 Cb -0.03 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1ud8 s ALA 114 CO 0.01 -0.92 0.03 0.08 0.00 0.00 0.00 175.76 174.96 1ud8 s VAL 115 N 2.20 -0.01 0.02 0.00 1.01 0.22 -4.96 120.40 118.88 1ud8 s VAL 115 Ca 0.67 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1ud8 s VAL 115 Cb -0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1ud8 s VAL 115 CO 0.29 0.01 1.16 -1.10 0.00 0.00 0.00 175.10 175.46 1ud8 s GLN 116 N 0.15 4.43 0.09 2.72 -1.52 -1.26 -0.39 119.66 123.89 1ud8 s GLN 116 Ca -0.01 1.67 -0.06 0.00 -1.95 0.00 0.00 55.36 55.01 1ud8 s GLN 116 Cb -0.02 -3.43 -0.02 0.00 -0.22 0.00 0.00 33.01 29.33 1ud8 s GLN 116 CO -0.00 -0.27 0.13 0.00 -0.25 0.00 0.00 175.29 174.89 1ud8 s ALA 117 N 1.39 0.11 0.01 6.09 0.00 0.37 -0.16 121.76 129.56 1ud8 s ALA 117 Ca 0.57 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1ud8 s ALA 117 Cb -0.26 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1ud8 s ALA 117 CO 0.27 -0.49 -0.12 0.14 0.00 0.00 0.00 175.76 175.56 1ud8 s VAL 118 N -3.91 0.96 0.16 0.00 -7.23 -0.69 -0.83 120.40 108.86 1ud8 s VAL 118 Ca 0.09 -0.70 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 1ud8 s VAL 118 Cb 0.06 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 36.09 1ud8 s VAL 118 CO -0.08 0.13 0.90 -1.10 -0.31 0.00 0.00 175.10 174.64 1ud8 s GLN 119 N -0.65 4.71 0.36 4.82 -0.21 -1.26 -1.76 119.66 125.67 1ud8 s GLN 119 Ca 0.03 1.37 0.08 0.00 0.02 0.00 0.00 55.36 56.86 1ud8 s GLN 119 Cb -0.06 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.58 1ud8 s GLN 119 CO 0.00 0.39 0.11 0.14 -2.12 0.00 0.00 175.29 173.81 1ud8 s VAL 120 N -0.62 2.69 -0.25 1.09 -7.23 -0.73 0.96 120.40 116.31 1ud8 s VAL 120 Ca 0.42 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.52 1ud8 s VAL 120 Cb -0.24 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.79 1ud8 s VAL 120 CO 0.29 -0.14 0.98 0.21 -0.31 0.00 0.00 175.10 176.13 1ud8 s ASN 121 N -3.82 6.99 0.34 4.85 2.47 0.14 -4.58 114.94 121.33 1ud8 s ASN 121 Ca 0.38 1.22 0.11 0.00 0.42 0.00 0.00 52.86 54.99 1ud8 s ASN 121 Cb 0.00 -2.51 0.91 0.00 -1.45 0.00 0.00 41.25 38.20 1ud8 s ASN 121 CO 0.21 -0.65 1.75 -0.65 -3.72 0.00 0.00 177.10 174.05 1ud8 h PRO 122 N 7.61 0.56 -0.00 0.43 0.11 -1.93 0.49 132.00 139.27 1ud8 h PRO 122 Ca -0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1ud8 h PRO 122 Cb 1.07 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ud8 h PRO 122 CO 0.95 0.37 -0.18 0.25 -0.21 0.00 0.00 178.00 179.19 1ud8 n THR 123 N -4.79 0.00 -2.92 -1.15 -2.24 -1.26 -4.48 114.28 97.44 1ud8 n THR 123 Ca 0.26 -0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1ud8 n THR 123 Cb 0.73 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1ud8 n THR 123 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ud8 s ASN 124 N -2.83 -1.01 0.00 3.42 2.47 0.10 -3.79 114.94 113.30 1ud8 s ASN 124 Ca 0.18 -1.76 0.00 0.00 0.42 0.00 0.00 52.86 51.70 1ud8 s ASN 124 Cb 0.19 1.57 0.00 0.00 -1.45 0.00 0.00 41.25 41.56 1ud8 s ASN 124 CO 0.56 -0.09 0.76 0.54 -3.72 0.00 0.00 177.10 175.15 1ud8 n ARG 125 N 3.19 0.00 0.09 0.43 3.00 -0.32 -0.36 116.66 122.69 1ud8 n ARG 125 Ca 0.18 0.29 -0.05 0.00 -0.01 0.00 0.00 57.85 58.26 1ud8 n ARG 125 Cb 0.55 -1.59 -0.01 0.00 0.00 0.00 0.00 32.46 31.41 1ud8 n ARG 125 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1ud8 h TRP 126 N 0.00 0.05 -3.54 -1.55 -0.00 -1.84 -3.44 115.95 105.62 1ud8 h TRP 126 Ca 0.00 -0.03 -0.62 0.00 -0.00 0.00 0.00 58.89 58.24 1ud8 h TRP 126 Cb 0.18 -0.00 -0.13 0.00 -0.00 0.00 0.00 29.16 29.21 1ud8 h TRP 126 CO 0.00 0.87 0.10 -1.14 -0.00 0.00 0.00 178.44 178.27 1ud8 s GLN 127 N -3.08 3.93 0.24 0.49 0.74 0.51 -5.01 119.66 117.48 1ud8 s GLN 127 Ca -0.00 0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 1ud8 s GLN 127 Cb 0.11 -3.71 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 1ud8 s GLN 127 CO 0.80 -0.52 0.95 -0.51 -0.55 0.00 0.00 175.29 175.47 1ud8 s ASP 128 N 1.61 7.62 0.00 6.67 1.11 -1.26 0.27 116.67 132.69 1ud8 s ASP 128 Ca 0.24 1.97 0.08 0.00 0.18 0.00 0.00 52.55 55.02 1ud8 s ASP 128 Cb -0.15 -2.61 0.07 0.00 1.07 0.00 0.00 42.92 41.30 1ud8 s ASP 128 CO 0.11 0.13 0.78 2.30 1.18 0.00 0.00 175.17 179.67 1ud8 n ILE 129 N 1.49 0.07 -3.81 0.77 -5.35 0.27 -4.81 119.36 108.00 1ud8 n ILE 129 Ca -0.02 -0.54 -0.10 0.00 -0.27 0.00 0.00 62.75 61.83 1ud8 n ILE 129 Cb 0.47 1.12 -0.05 0.00 -1.74 0.00 0.00 39.64 39.43 1ud8 n ILE 129 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ud8 s SER 130 N -0.68 -0.12 0.68 7.28 1.04 -1.13 -4.93 113.70 115.84 1ud8 s SER 130 Ca 0.10 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 1ud8 s SER 130 Cb 0.07 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1ud8 s SER 130 CO 0.10 -0.94 0.99 -0.83 0.98 0.00 0.00 173.24 173.54 1ud8 s GLY 131 N -2.90 1.67 0.29 7.32 0.00 -1.26 -4.06 107.32 108.38 1ud8 s GLY 131 Ca 0.11 -0.85 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1ud8 s GLY 131 CO -0.04 -0.47 1.27 0.00 0.00 0.00 0.00 173.10 173.86 1ud8 s ALA 132 N -3.20 3.49 0.19 3.20 0.00 -1.26 -4.51 121.76 119.68 1ud8 s ALA 132 Ca 0.59 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1ud8 s ALA 132 Cb -0.11 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.62 1ud8 s ALA 132 CO 0.45 -0.52 0.64 1.52 0.00 0.00 0.00 175.76 177.85 1ud8 s TYR 133 N -0.82 -0.43 -0.15 0.00 -0.85 -0.01 -4.91 117.35 110.18 1ud8 s TYR 133 Ca 0.50 0.14 -0.27 0.00 -0.52 0.00 0.00 57.07 56.92 1ud8 s TYR 133 Cb -0.38 0.61 -0.01 0.00 0.38 0.00 0.00 41.96 42.56 1ud8 s TYR 133 CO 0.47 -0.97 0.90 0.99 -1.52 0.00 0.00 175.55 175.42 1ud8 s THR 134 N -3.79 4.84 0.30 -3.49 2.01 -1.26 -0.48 115.64 113.77 1ud8 s THR 134 Ca 0.04 1.80 0.10 0.00 0.31 0.00 0.00 61.69 63.94 1ud8 s THR 134 Cb -0.03 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1ud8 s THR 134 CO -0.07 0.02 -0.09 0.27 -0.69 0.00 0.00 174.62 174.06 1ud8 s ILE 135 N 2.10 2.70 -0.56 1.82 -4.36 0.48 -4.90 121.20 118.49 1ud8 s ILE 135 Ca 0.42 -2.17 -0.04 0.00 -0.26 0.00 0.00 60.65 58.60 1ud8 s ILE 135 Cb -0.17 -2.59 0.15 0.00 1.25 0.00 0.00 42.46 41.10 1ud8 s ILE 135 CO 0.14 -0.32 0.38 -1.81 0.24 0.00 0.00 174.94 173.57 1ud8 s ASP 136 N -3.61 5.37 0.26 4.36 1.01 -1.26 -0.61 116.67 122.19 1ud8 s ASP 136 Ca 0.32 -2.51 -0.04 0.00 0.71 0.00 0.00 52.55 51.03 1ud8 s ASP 136 Cb -0.03 -1.88 -0.05 0.00 1.01 0.00 0.00 42.92 41.97 1ud8 s ASP 136 CO 0.17 -0.46 0.50 0.00 0.21 0.00 0.00 175.17 175.59 1ud8 s ALA 137 N 0.44 3.69 -1.10 5.23 0.00 -1.02 -0.95 121.76 128.06 1ud8 s ALA 137 Ca 0.13 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1ud8 s ALA 137 Cb -0.21 -2.20 0.15 0.00 0.00 0.00 0.00 23.12 20.86 1ud8 s ALA 137 CO -0.04 0.32 1.33 -1.58 0.00 0.00 0.00 175.76 175.79 1ud8 s TRP 138 N -2.00 3.29 -0.16 0.00 0.52 -1.26 -0.20 118.94 119.14 1ud8 s TRP 138 Ca 0.42 -1.78 0.02 0.00 0.02 0.00 0.00 56.10 54.78 1ud8 s TRP 138 Cb -0.11 -4.33 -0.01 0.00 -1.15 0.00 0.00 33.47 27.87 1ud8 s TRP 138 CO 0.29 -1.47 0.26 0.25 0.02 0.00 0.00 176.95 176.31 1ud8 n THR 139 N 5.10 0.00 -2.90 2.01 -2.24 -1.20 -4.44 114.28 110.61 1ud8 n THR 139 Ca 0.32 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1ud8 n THR 139 Cb 0.46 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 1ud8 n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ud8 s GLY 140 N -0.81 1.85 -0.15 3.38 0.00 -0.55 -3.52 107.32 107.53 1ud8 s GLY 140 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1ud8 s GLY 140 CO 0.06 1.75 -0.14 -1.36 0.00 0.00 0.00 173.10 173.40 1ud8 s PHE 141 N 2.64 2.18 -0.11 1.90 0.40 0.46 0.22 117.98 125.67 1ud8 s PHE 141 Ca 0.35 -1.22 0.04 0.00 -0.60 0.00 0.00 56.93 55.50 1ud8 s PHE 141 Cb -0.16 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1ud8 s PHE 141 CO 0.09 -0.67 0.14 -0.25 0.70 0.00 0.00 175.22 175.23 1ud8 n ASP 142 N 4.74 1.87 -3.86 1.36 8.00 -1.26 -2.21 116.55 125.19 1ud8 n ASP 142 Ca -0.17 -0.34 -0.30 0.00 0.71 0.00 0.00 54.79 54.69 1ud8 n ASP 142 Cb 0.50 1.08 -0.01 0.00 -0.02 0.00 0.00 41.12 42.67 1ud8 n ASP 142 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ud8 n PHE 143 N -1.34 -1.83 -0.28 1.24 3.72 -1.26 -4.82 117.46 112.90 1ud8 n PHE 143 Ca 0.00 0.68 -0.01 0.00 -0.05 0.00 0.00 57.45 58.07 1ud8 n PHE 143 Cb 0.08 -3.01 0.03 0.00 -0.94 0.00 0.00 39.48 35.65 1ud8 n PHE 143 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ud8 n SER 144 N -2.52 -0.47 0.31 4.37 7.64 -1.26 0.02 113.62 121.72 1ud8 n SER 144 Ca 0.04 1.27 0.19 0.00 1.01 0.00 0.00 58.87 61.38 1ud8 n SER 144 Cb 0.51 -0.29 1.02 0.00 -1.01 0.00 0.00 64.21 64.44 1ud8 n SER 144 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ud8 h GLY 145 N 0.00 0.00 1.83 0.23 0.00 -1.88 -2.56 103.07 100.69 1ud8 h GLY 145 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.40 1ud8 h GLY 145 CO -0.72 0.00 -0.84 -0.09 0.00 0.00 0.00 176.54 174.89 1ud8 h ARG 146 N 0.00 0.15 -1.62 4.80 2.43 -0.73 -3.42 114.38 115.98 1ud8 h ARG 146 Ca -0.00 -0.16 -0.26 0.00 -0.81 0.00 0.00 59.98 58.76 1ud8 h ARG 146 Cb 0.11 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1ud8 h ARG 146 CO 0.00 0.90 -0.31 -1.71 -1.51 0.00 0.00 179.97 177.34 1ud8 n ASN 147 N -3.66 -4.10 -0.55 -3.80 5.15 -0.97 -2.99 115.26 104.34 1ud8 n ASN 147 Ca -0.03 0.04 -0.07 0.00 -0.60 0.00 0.00 54.58 53.92 1ud8 n ASN 147 Cb 0.78 -3.20 -0.03 0.00 -0.53 0.00 0.00 39.78 36.80 1ud8 n ASN 147 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ud8 n ASN 148 N -0.38 -4.32 -4.77 1.20 3.02 -1.26 -4.99 115.26 103.76 1ud8 n ASN 148 Ca -0.15 0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1ud8 n ASN 148 Cb 0.58 -2.46 -0.01 0.00 -0.61 0.00 0.00 39.78 37.28 1ud8 n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud8 s ALA 149 N -2.12 3.39 0.00 5.41 0.00 -1.16 -2.88 121.76 124.41 1ud8 s ALA 149 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1ud8 s ALA 149 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1ud8 s ALA 149 CO 0.00 -0.79 0.00 0.66 0.00 0.00 0.00 175.76 175.63 1ud8 n TYR 150 N 0.43 0.00 -3.63 0.00 4.01 -1.26 -4.76 117.16 111.95 1ud8 n TYR 150 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.62 1ud8 n TYR 150 Cb 0.42 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.38 1ud8 n TYR 150 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ud8 s SER 151 N 0.00 -0.73 -0.00 7.72 0.15 -1.14 -5.02 113.70 114.68 1ud8 s SER 151 Ca 0.00 1.41 0.14 0.00 0.70 0.00 0.00 55.95 58.19 1ud8 s SER 151 Cb 0.00 1.42 0.39 0.00 -1.71 0.00 0.00 66.02 66.13 1ud8 s SER 151 CO 0.00 -0.24 1.33 -0.90 1.20 0.00 0.00 173.24 174.62 1ud8 n ASP 152 N 2.66 3.20 -4.72 5.45 5.75 -1.26 -4.32 116.55 123.32 1ud8 n ASP 152 Ca -0.14 -2.03 -0.42 0.00 -0.01 0.00 0.00 54.79 52.20 1ud8 n ASP 152 Cb 0.55 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1ud8 n ASP 152 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ud8 s PHE 153 N -1.05 3.35 0.07 2.11 2.19 -1.26 -5.02 117.98 118.37 1ud8 s PHE 153 Ca 0.30 1.16 0.08 0.00 0.33 0.00 0.00 56.93 58.80 1ud8 s PHE 153 Cb 0.16 -3.54 -0.03 0.00 -1.31 0.00 0.00 43.02 38.29 1ud8 s PHE 153 CO 0.20 -1.77 -0.21 0.15 1.83 0.00 0.00 175.22 175.42 1ud8 s LYS 154 N 0.92 1.86 -0.07 10.12 -0.14 -1.26 -5.00 119.74 126.18 1ud8 s LYS 154 Ca 0.61 -1.10 -0.04 0.00 -1.36 0.00 0.00 55.97 54.07 1ud8 s LYS 154 Cb -0.33 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 1ud8 s LYS 154 CO 0.31 0.51 0.11 -1.58 -0.76 0.00 0.00 175.35 173.93 1ud8 s TRP 155 N -0.98 3.44 0.21 3.18 0.52 -0.94 -4.96 118.94 119.42 1ud8 s TRP 155 Ca 0.15 0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.66 1ud8 s TRP 155 Cb -0.10 -1.85 -0.05 0.00 -1.15 0.00 0.00 33.47 30.32 1ud8 s TRP 155 CO 0.06 0.64 0.03 1.03 0.02 0.00 0.00 176.95 178.73 1ud8 s ARG 156 N -1.29 1.23 0.35 4.98 3.00 -1.23 -0.40 118.95 125.59 1ud8 s ARG 156 Ca 0.18 -1.63 0.11 0.00 0.00 0.00 0.00 55.73 54.39 1ud8 s ARG 156 Cb -0.12 -0.30 0.88 0.00 0.00 0.00 0.00 34.95 35.40 1ud8 s ARG 156 CO 0.08 -0.18 1.81 0.11 0.00 0.00 0.00 175.30 177.11 1ud8 h TRP 157 N 2.57 0.86 0.00 -0.53 5.08 -1.95 -1.66 115.95 120.31 1ud8 h TRP 157 Ca -0.37 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1ud8 h TRP 157 Cb 1.22 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 1ud8 h TRP 157 CO 0.51 0.20 0.00 1.97 -1.28 0.00 0.00 178.44 179.85 1ud8 n PHE 158 N -4.66 0.00 0.02 0.12 1.16 -1.26 -0.60 117.46 112.25 1ud8 n PHE 158 Ca 0.22 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.90 1ud8 n PHE 158 Cb 0.63 -0.01 -0.11 0.00 -1.61 0.00 0.00 39.48 38.38 1ud8 n PHE 158 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1ud8 n HIS 159 N -1.01 0.34 -3.15 2.97 8.25 -0.62 -4.94 115.22 117.06 1ud8 n HIS 159 Ca 0.06 0.10 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 1ud8 n HIS 159 Cb 0.03 -0.68 0.05 0.00 1.12 0.00 0.00 29.99 30.50 1ud8 n HIS 159 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ud8 s PHE 160 N -3.42 1.60 0.00 4.41 0.08 0.23 -1.04 117.98 119.85 1ud8 s PHE 160 Ca -0.06 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.29 1ud8 s PHE 160 Cb 0.12 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1ud8 s PHE 160 CO 0.87 -0.98 0.11 0.27 -0.10 0.00 0.00 175.22 175.39 1ud8 n ASN 161 N -2.13 0.00 -3.62 1.36 6.94 -0.35 -4.59 115.26 112.86 1ud8 n ASN 161 Ca 0.13 -1.00 -0.04 0.00 -0.02 0.00 0.00 54.58 53.65 1ud8 n ASN 161 Cb 0.62 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.00 1ud8 n ASN 161 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ud8 s GLY 162 N 0.00 -0.10 0.21 4.83 0.00 -1.25 0.31 107.32 111.32 1ud8 s GLY 162 Ca 0.00 2.28 -0.09 0.00 0.00 0.00 0.00 44.72 46.90 1ud8 s GLY 162 CO 0.00 0.87 0.34 -1.34 0.00 0.00 0.00 173.10 172.98 1ud8 s VAL 163 N -1.56 0.03 -0.38 1.40 -7.23 -0.83 -1.17 120.40 110.66 1ud8 s VAL 163 Ca 0.08 -1.49 0.13 0.00 -1.81 0.00 0.00 61.98 58.90 1ud8 s VAL 163 Cb -0.01 -2.10 0.36 0.00 0.56 0.00 0.00 36.38 35.19 1ud8 s VAL 163 CO -0.05 -0.12 1.28 -0.90 -0.31 0.00 0.00 175.10 175.00 1ud8 n ASP 164 N -0.30 3.14 -3.69 4.85 5.68 -1.25 -0.60 116.55 124.37 1ud8 n ASP 164 Ca -0.03 -2.60 -0.11 0.00 -0.50 0.00 0.00 54.79 51.54 1ud8 n ASP 164 Cb 0.63 -0.37 -0.12 0.00 -1.14 0.00 0.00 41.12 40.13 1ud8 n ASP 164 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1ud8 s TRP 165 N -2.07 -0.52 -0.33 2.11 -0.11 -1.25 -2.71 118.94 114.06 1ud8 s TRP 165 Ca 0.30 1.12 -0.09 0.00 1.22 0.00 0.00 56.10 58.64 1ud8 s TRP 165 Cb 0.22 0.16 0.01 0.00 -1.50 0.00 0.00 33.47 32.36 1ud8 s TRP 165 CO 0.09 -0.33 0.16 0.34 -4.62 0.00 0.00 176.95 172.58 1ud8 s ASP 166 N 1.69 5.52 0.48 5.86 2.15 -0.91 -4.62 116.67 126.84 1ud8 s ASP 166 Ca -0.07 -0.78 0.28 0.00 0.43 0.00 0.00 52.55 52.41 1ud8 s ASP 166 Cb -0.10 -1.98 0.87 0.00 -0.30 0.00 0.00 42.92 41.41 1ud8 s ASP 166 CO -0.11 -0.27 1.80 -0.61 -0.17 0.00 0.00 175.17 175.81 1ud8 h GLN 167 N 8.35 0.00 0.75 4.34 5.75 -1.36 0.15 115.11 133.09 1ud8 h GLN 167 Ca -0.29 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.18 1ud8 h GLN 167 Cb 1.12 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.68 1ud8 h GLN 167 CO 0.63 0.06 -0.36 -0.09 -2.65 0.00 0.00 178.83 176.42 1ud8 h ARG 168 N 0.00 -0.97 -0.03 1.69 2.43 -1.92 -3.25 114.38 112.33 1ud8 h ARG 168 Ca -0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ud8 h ARG 168 Cb 0.77 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1ud8 h ARG 168 CO 0.01 -0.63 -0.05 0.66 -1.51 0.00 0.00 179.97 178.44 1ud8 n TYR 169 N -5.46 0.00 -3.17 2.20 4.02 -1.25 -5.02 117.16 108.48 1ud8 n TYR 169 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.55 1ud8 n TYR 169 Cb 0.41 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.75 1ud8 n TYR 169 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ud8 n GLN 170 N 1.06 -2.09 -3.81 -0.72 6.02 0.49 -5.04 117.38 113.28 1ud8 n GLN 170 Ca 0.14 1.74 -0.09 0.00 -0.01 0.00 0.00 57.00 58.78 1ud8 n GLN 170 Cb 0.56 -4.13 -0.06 0.00 1.02 0.00 0.00 30.24 27.63 1ud8 n GLN 170 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ud8 s GLU 171 N -2.71 1.02 -0.14 -1.09 2.02 -1.04 -5.00 118.70 111.75 1ud8 s GLU 171 Ca 0.27 -0.94 -0.05 0.00 0.02 0.00 0.00 54.97 54.28 1ud8 s GLU 171 Cb -0.05 0.40 -0.03 0.00 0.10 0.00 0.00 34.13 34.54 1ud8 s GLU 171 CO 0.82 -0.37 0.02 -0.80 0.02 0.00 0.00 175.26 174.95 1ud8 s ASN 172 N -2.87 5.29 0.11 -0.19 -0.87 -1.26 -2.15 114.94 113.00 1ud8 s ASN 172 Ca 0.08 0.05 -0.25 0.00 -1.57 0.00 0.00 52.86 51.17 1ud8 s ASN 172 Cb 0.03 -1.77 0.07 0.00 -0.02 0.00 0.00 41.25 39.56 1ud8 s ASN 172 CO -0.08 0.24 0.64 -1.00 -2.57 0.00 0.00 177.10 174.33 1ud8 s HIS 173 N -0.05 -0.54 -0.55 2.20 3.76 -1.10 -5.01 115.29 114.00 1ud8 s HIS 173 Ca 0.04 0.45 -0.19 0.00 -0.15 0.00 0.00 55.06 55.21 1ud8 s HIS 173 Cb -0.13 0.53 0.08 0.00 1.11 0.00 0.00 32.58 34.18 1ud8 s HIS 173 CO 0.02 -0.79 0.66 0.42 -0.85 0.00 0.00 174.74 174.20 1ud8 s ILE 174 N -3.29 4.85 -0.18 0.60 -1.09 -1.26 -3.91 121.20 116.92 1ud8 s ILE 174 Ca -0.01 -0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 57.50 1ud8 s ILE 174 Cb -0.01 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1ud8 s ILE 174 CO -0.09 -0.98 0.32 -0.36 -1.23 0.00 0.00 174.94 172.60 1ud8 s PHE 175 N 2.65 3.42 -0.21 3.97 0.40 0.23 -1.78 117.98 126.66 1ud8 s PHE 175 Ca 0.13 0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 56.93 1ud8 s PHE 175 Cb -0.22 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.86 1ud8 s PHE 175 CO 0.09 0.14 0.13 0.50 0.70 0.00 0.00 175.22 176.78 1ud8 s ARG 176 N 0.80 4.15 0.28 0.44 3.52 -0.72 -1.96 118.95 125.46 1ud8 s ARG 176 Ca 0.17 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 1ud8 s ARG 176 Cb -0.14 -3.43 -0.11 0.00 -1.56 0.00 0.00 34.95 29.71 1ud8 s ARG 176 CO 0.05 0.25 1.54 -0.06 -0.81 0.00 0.00 175.30 176.27 1ud8 s PHE 177 N 0.50 2.83 0.34 5.12 0.40 0.15 -1.70 117.98 125.61 1ud8 s PHE 177 Ca 0.08 0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 57.00 1ud8 s PHE 177 Cb -0.12 -3.98 -0.11 0.00 0.51 0.00 0.00 43.02 39.32 1ud8 s PHE 177 CO -0.01 -3.25 1.42 0.00 0.70 0.00 0.00 175.22 174.08 1ud8 s ALA 178 N -0.07 3.57 -0.95 5.36 0.00 0.78 -2.59 121.76 127.85 1ud8 s ALA 178 Ca 0.61 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1ud8 s ALA 178 Cb -0.46 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1ud8 s ALA 178 CO 0.47 -0.86 0.00 0.09 0.00 0.00 0.00 175.76 175.46 1ud8 n ASN 179 N 0.93 -3.74 -4.13 0.00 5.03 -1.26 -4.92 115.26 107.17 1ud8 n ASN 179 Ca 0.02 0.10 -0.16 0.00 0.87 0.00 0.00 54.58 55.42 1ud8 n ASN 179 Cb 0.40 -2.62 -0.12 0.00 -1.02 0.00 0.00 39.78 36.43 1ud8 n ASN 179 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1ud8 s THR 180 N -2.45 0.86 0.19 3.41 -4.23 -1.07 -5.16 115.64 107.20 1ud8 s THR 180 Ca 0.00 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1ud8 s THR 180 Cb 0.00 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 1ud8 s THR 180 CO 0.00 -0.34 0.06 0.20 -0.54 0.00 0.00 174.62 174.00 1ud8 s ASN 181 N -1.79 5.04 0.41 3.99 -0.87 -1.26 -4.80 114.94 115.65 1ud8 s ASN 181 Ca -0.04 -0.33 -0.25 0.00 -1.57 0.00 0.00 52.86 50.67 1ud8 s ASN 181 Cb -0.09 -1.16 -0.08 0.00 -0.02 0.00 0.00 41.25 39.90 1ud8 s ASN 181 CO 0.01 0.06 1.23 0.26 -2.57 0.00 0.00 177.10 176.09 1ud8 s TRP 182 N -1.83 2.93 0.89 2.20 0.23 -1.26 -4.95 118.94 117.14 1ud8 s TRP 182 Ca 0.29 1.49 -0.14 0.00 -2.03 0.00 0.00 56.10 55.72 1ud8 s TRP 182 Cb -0.09 -3.51 0.02 0.00 0.03 0.00 0.00 33.47 29.92 1ud8 s TRP 182 CO 0.21 -1.69 0.49 0.09 0.96 0.00 0.00 176.95 177.01 1ud8 n ASN 183 N 0.02 -1.65 -3.62 2.95 3.02 -1.26 -5.04 115.26 109.69 1ud8 n ASN 183 Ca 0.04 0.41 -0.12 0.00 -0.03 0.00 0.00 54.58 54.89 1ud8 n ASN 183 Cb 0.45 -1.23 -0.07 0.00 -0.61 0.00 0.00 39.78 38.32 1ud8 n ASN 183 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1ud8 s TRP 184 N -2.26 -0.60 0.38 3.10 -0.11 -1.26 -4.47 118.94 113.71 1ud8 s TRP 184 Ca 0.60 1.42 -0.17 0.00 1.22 0.00 0.00 56.10 59.17 1ud8 s TRP 184 Cb -0.25 0.34 -0.10 0.00 -1.50 0.00 0.00 33.47 31.96 1ud8 s TRP 184 CO 0.64 -0.33 0.84 0.50 -4.62 0.00 0.00 176.95 173.98 1ud8 s ARG 185 N 0.08 4.08 0.22 5.86 3.52 -1.26 -4.73 118.95 126.72 1ud8 s ARG 185 Ca 0.00 0.86 -0.10 0.00 -0.13 0.00 0.00 55.73 56.37 1ud8 s ARG 185 Cb -0.04 -2.31 -0.01 0.00 -1.56 0.00 0.00 34.95 31.03 1ud8 s ARG 185 CO -0.02 0.05 0.37 0.14 -0.81 0.00 0.00 175.30 175.04 1ud8 s VAL 186 N -2.11 0.02 0.18 7.11 -7.23 -1.26 -0.16 120.40 116.94 1ud8 s VAL 186 Ca 0.58 -1.48 -0.33 0.00 -1.81 0.00 0.00 61.98 58.93 1ud8 s VAL 186 Cb -0.10 -2.15 -0.15 0.00 0.56 0.00 0.00 36.38 34.55 1ud8 s VAL 186 CO 0.17 -0.07 1.29 -0.67 -0.31 0.00 0.00 175.10 175.51 1ud8 n ASP 187 N -0.32 1.92 -1.16 4.85 2.03 -0.54 -4.77 116.55 118.55 1ud8 n ASP 187 Ca -0.03 1.13 0.02 0.00 0.52 0.00 0.00 54.79 56.44 1ud8 n ASP 187 Cb 0.63 -1.29 0.17 0.00 -0.72 0.00 0.00 41.12 39.91 1ud8 n ASP 187 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud8 n GLU 188 N 2.08 2.66 -2.80 -0.67 1.02 -1.26 -1.10 120.64 120.58 1ud8 n GLU 188 Ca 0.15 -1.41 -0.41 0.00 -0.02 0.00 0.00 57.16 55.47 1ud8 n GLU 188 Cb 0.26 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 1ud8 n GLU 188 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ud8 s GLU 189 N -1.76 4.64 -0.66 3.49 2.12 -1.26 -2.63 118.70 122.65 1ud8 s GLU 189 Ca 0.24 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1ud8 s GLU 189 Cb 0.19 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1ud8 s GLU 189 CO 0.07 0.23 0.00 0.09 -0.54 0.00 0.00 175.26 175.11 1ud8 n ASN 190 N 2.79 -3.09 0.00 -1.70 3.02 -1.25 -3.20 115.26 111.83 1ud8 n ASN 190 Ca 0.01 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1ud8 n ASN 190 Cb 0.49 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.68 1ud8 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ud8 n GLY 191 N -1.41 2.18 2.74 7.41 0.00 -1.08 -1.17 105.19 113.86 1ud8 n GLY 191 Ca -0.08 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1ud8 n GLY 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ud8 s ASN 192 N -1.03 2.04 -0.39 1.61 3.84 -1.25 -4.37 114.94 115.39 1ud8 s ASN 192 Ca 0.00 -0.35 0.03 0.00 0.21 0.00 0.00 52.86 52.75 1ud8 s ASN 192 Cb 0.00 -0.45 0.57 0.00 -0.55 0.00 0.00 41.25 40.81 1ud8 s ASN 192 CO 0.00 -0.25 1.80 0.00 -2.79 0.00 0.00 177.10 175.86 1ud8 n TYR 193 N 5.14 2.64 -0.23 0.43 4.19 -0.25 -4.46 117.16 124.62 1ud8 n TYR 193 Ca -0.07 -1.70 -0.07 0.00 3.31 0.00 0.00 57.90 59.37 1ud8 n TYR 193 Cb 0.49 -0.87 0.04 0.00 0.49 0.00 0.00 39.34 39.49 1ud8 n TYR 193 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1ud8 h ASP 194 N 0.90 0.88 -3.36 2.98 3.58 -1.80 -3.41 116.42 116.19 1ud8 h ASP 194 Ca 0.55 -0.17 -0.57 0.00 0.42 0.00 0.00 57.03 57.26 1ud8 h ASP 194 Cb 2.54 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 43.30 1ud8 h ASP 194 CO 0.97 0.81 0.18 -0.47 -2.88 0.00 0.00 179.24 177.85 1ud8 s TYR 195 N -5.55 3.53 0.07 0.28 5.04 -1.26 -4.78 117.35 114.68 1ud8 s TYR 195 Ca -0.13 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1ud8 s TYR 195 Cb 0.13 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.57 1ud8 s TYR 195 CO 0.80 -0.02 0.00 -0.11 -1.34 0.00 0.00 175.55 174.89 1ud8 n LEU 196 N 4.23 0.64 -3.76 6.97 7.94 -1.26 -5.13 117.00 126.62 1ud8 n LEU 196 Ca 0.01 0.11 -0.08 0.00 -1.11 0.00 0.00 56.01 54.93 1ud8 n LEU 196 Cb 0.51 -0.18 -0.02 0.00 0.53 0.00 0.00 43.42 44.26 1ud8 n LEU 196 CO 0.47 -0.66 0.46 -1.48 -1.11 0.00 0.00 177.39 175.07 1ud8 s LEU 197 N -6.25 -0.32 0.00 -1.96 2.34 -1.26 -5.04 118.68 106.19 1ud8 s LEU 197 Ca 0.00 -0.47 0.00 0.00 0.06 0.00 0.00 54.13 53.72 1ud8 s LEU 197 Cb 0.00 2.68 0.00 0.00 -0.56 0.00 0.00 46.19 48.31 1ud8 s LEU 197 CO 0.00 -1.25 0.00 0.61 -1.06 0.00 0.00 176.35 174.65 1ud8 n GLY 198 N -0.44 0.92 3.58 -3.48 0.00 -1.26 -4.37 105.19 100.14 1ud8 n GLY 198 Ca -0.07 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1ud8 n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ud8 s SER 199 N -4.00 6.58 -0.21 1.61 0.01 -0.06 -4.28 113.70 113.35 1ud8 s SER 199 Ca 0.00 0.33 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 1ud8 s SER 199 Cb 0.00 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1ud8 s SER 199 CO 0.00 -0.98 1.05 0.21 0.41 0.00 0.00 173.24 173.93 1ud8 s ASN 200 N 2.11 7.11 0.13 2.44 2.47 -0.32 -1.97 114.94 126.93 1ud8 s ASN 200 Ca 0.38 1.42 -0.31 0.00 0.42 0.00 0.00 52.86 54.77 1ud8 s ASN 200 Cb -0.11 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.08 1ud8 s ASN 200 CO 0.23 -0.64 1.29 -0.63 -3.72 0.00 0.00 177.10 173.64 1ud8 s ILE 201 N 3.03 3.51 -0.39 -5.21 1.01 -1.14 -1.21 121.20 120.80 1ud8 s ILE 201 Ca 0.45 1.14 -0.15 0.00 0.00 0.00 0.00 60.65 62.09 1ud8 s ILE 201 Cb -0.16 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1ud8 s ILE 201 CO 0.08 0.12 0.34 -0.62 0.00 0.00 0.00 174.94 174.86 1ud8 s ASP 202 N 0.77 6.14 0.00 3.58 -1.08 -0.20 -4.80 116.67 121.08 1ud8 s ASP 202 Ca 0.60 -0.63 0.30 0.00 -0.52 0.00 0.00 52.55 52.29 1ud8 s ASP 202 Cb -0.34 -2.18 1.52 0.00 -1.46 0.00 0.00 42.92 40.45 1ud8 s ASP 202 CO 0.33 -0.43 2.05 0.49 0.52 0.00 0.00 175.17 178.12 1ud8 n PHE 203 N 5.32 0.00 0.30 -5.34 3.01 -1.26 -3.59 117.46 115.90 1ud8 n PHE 203 Ca -0.10 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.55 1ud8 n PHE 203 Cb 0.48 -0.26 0.96 0.00 -0.01 0.00 0.00 39.48 40.65 1ud8 n PHE 203 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ud8 h SER 204 N 0.05 0.00 -3.15 4.37 4.64 -1.95 -3.41 113.55 114.09 1ud8 h SER 204 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1ud8 h SER 204 Cb 0.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 1ud8 h SER 204 CO 0.00 0.03 0.69 -1.00 -0.87 0.00 0.00 176.83 175.68 1ud8 s HIS 205 N -4.09 3.34 0.44 4.77 3.76 -1.24 -4.95 115.29 117.32 1ud8 s HIS 205 Ca -0.03 1.38 0.15 0.00 -0.15 0.00 0.00 55.06 56.41 1ud8 s HIS 205 Cb 0.12 -3.20 1.05 0.00 1.11 0.00 0.00 32.58 31.67 1ud8 s HIS 205 CO 0.49 -0.44 1.96 -1.35 -0.85 0.00 0.00 174.74 174.56 1ud8 h PRO 206 N 7.49 0.38 0.00 8.40 0.11 -1.94 -1.21 132.00 145.23 1ud8 h PRO 206 Ca -0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 1ud8 h PRO 206 Cb 1.07 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ud8 h PRO 206 CO 0.94 0.25 -0.06 1.05 -0.21 0.00 0.00 178.00 179.97 1ud8 h GLU 207 N 0.39 0.00 0.07 1.05 9.09 -1.94 -2.01 114.58 121.22 1ud8 h GLU 207 Ca 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.71 1ud8 h GLU 207 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1ud8 h GLU 207 CO -0.08 0.06 -0.03 0.28 0.05 0.00 0.00 179.01 179.29 1ud8 h VAL 208 N 0.00 0.59 -0.93 -1.06 2.07 -1.58 -2.71 116.25 112.64 1ud8 h VAL 208 Ca -0.00 -1.32 0.26 0.00 0.82 0.00 0.00 66.70 66.46 1ud8 h VAL 208 Cb 0.57 1.09 -0.14 0.00 -1.52 0.00 0.00 31.29 31.29 1ud8 h VAL 208 CO 0.01 0.19 0.41 1.56 0.02 0.00 0.00 177.57 179.75 1ud8 h GLN 209 N -0.99 0.32 0.04 1.57 4.20 -1.32 -0.10 115.11 118.83 1ud8 h GLN 209 Ca -0.01 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 1ud8 h GLN 209 Cb 0.38 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1ud8 h GLN 209 CO 0.02 0.21 -1.04 -0.44 -0.67 0.00 0.00 178.83 176.91 1ud8 h ASP 210 N 0.33 0.17 -0.29 1.46 3.32 -1.48 -2.71 116.42 117.22 1ud8 h ASP 210 Ca 0.61 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 1ud8 h ASP 210 Cb 1.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1ud8 h ASP 210 CO -0.59 1.10 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.91 1ud8 h GLU 211 N 0.04 0.53 -0.02 3.56 4.57 -0.71 0.51 114.58 123.06 1ud8 h GLU 211 Ca -0.05 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.81 1ud8 h GLU 211 Cb 1.76 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.30 1ud8 h GLU 211 CO 0.15 0.71 -0.59 -0.07 -1.18 0.00 0.00 179.01 178.03 1ud8 h LEU 212 N 0.31 0.09 0.01 1.64 3.38 -1.37 0.33 115.31 119.70 1ud8 h LEU 212 Ca 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ud8 h LEU 212 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ud8 h LEU 212 CO 0.02 0.66 -0.01 0.11 0.09 0.00 0.00 178.44 179.31 1ud8 h LYS 213 N 0.06 -0.02 -0.60 1.13 1.57 -1.27 0.13 116.57 117.57 1ud8 h LYS 213 Ca -0.01 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1ud8 h LYS 213 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 1ud8 h LYS 213 CO 0.08 0.40 0.32 -0.44 -0.57 0.00 0.00 179.45 179.25 1ud8 h ASP 214 N -0.44 0.47 0.27 0.86 3.32 0.21 -1.85 116.42 119.25 1ud8 h ASP 214 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1ud8 h ASP 214 Cb 0.43 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ud8 h ASP 214 CO 0.00 0.31 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.46 1ud8 h TRP 215 N 0.61 -0.33 -0.82 4.55 7.01 -0.26 -1.14 115.95 125.56 1ud8 h TRP 215 Ca 0.27 -0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.46 1ud8 h TRP 215 Cb 0.17 0.11 -0.13 0.00 -2.10 0.00 0.00 29.16 27.20 1ud8 h TRP 215 CO -0.09 -0.15 0.15 0.78 -2.79 0.00 0.00 178.44 176.35 1ud8 h GLY 216 N -0.44 1.14 0.82 2.65 0.00 -0.36 0.65 103.07 107.53 1ud8 h GLY 216 Ca -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1ud8 h GLY 216 CO 0.06 -0.32 -0.03 0.23 0.00 0.00 0.00 176.54 176.48 1ud8 h SER 217 N 0.19 0.40 -0.28 0.19 0.87 -1.15 0.87 113.55 114.64 1ud8 h SER 217 Ca 0.49 -0.35 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1ud8 h SER 217 Cb 0.92 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 1ud8 h SER 217 CO -0.64 0.65 -0.08 -0.25 -0.53 0.00 0.00 176.83 175.98 1ud8 h TRP 218 N 0.14 -0.18 0.41 2.24 7.01 0.54 -0.28 115.95 125.83 1ud8 h TRP 218 Ca 0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1ud8 h TRP 218 Cb 0.47 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.64 1ud8 h TRP 218 CO 0.05 -0.14 -0.38 0.35 -2.79 0.00 0.00 178.44 175.53 1ud8 h PHE 219 N -0.02 -1.05 -1.01 2.65 3.57 0.26 0.10 116.94 121.43 1ud8 h PHE 219 Ca 0.14 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.89 1ud8 h PHE 219 Cb 0.23 0.41 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 1ud8 h PHE 219 CO -0.28 -0.52 0.65 1.15 -2.23 0.00 0.00 178.31 177.08 1ud8 h THR 220 N -0.78 0.58 0.21 4.41 2.02 -0.51 -1.02 112.91 117.81 1ud8 h THR 220 Ca -0.05 -0.16 -0.32 0.00 0.77 0.00 0.00 66.41 66.66 1ud8 h THR 220 Cb 0.67 0.08 0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1ud8 h THR 220 CO -0.03 0.08 -1.39 0.44 0.37 0.00 0.00 175.52 174.99 1ud8 h ASP 221 N 0.45 0.75 -0.83 4.18 3.32 -0.83 -1.01 116.42 122.46 1ud8 h ASP 221 Ca 0.57 -0.78 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1ud8 h ASP 221 Cb 1.35 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1ud8 h ASP 221 CO -0.29 1.61 0.51 -0.08 -1.72 0.00 0.00 179.24 179.26 1ud8 h GLU 222 N 0.15 1.12 -0.01 3.56 4.57 0.16 -2.91 114.58 121.23 1ud8 h GLU 222 Ca -0.22 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1ud8 h GLU 222 Cb 2.09 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 1ud8 h GLU 222 CO 0.25 0.79 -0.77 1.28 -1.18 0.00 0.00 179.01 179.38 1ud8 n LEU 223 N -4.45 1.41 -3.52 1.64 4.77 -0.50 -4.99 117.00 111.36 1ud8 n LEU 223 Ca 0.08 -0.61 -0.21 0.00 -0.03 0.00 0.00 56.01 55.24 1ud8 n LEU 223 Cb 0.05 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1ud8 n LEU 223 CO 0.37 0.30 0.20 -0.67 -1.33 0.00 0.00 177.39 176.26 1ud8 n ASP 224 N -0.89 -4.88 -4.46 -1.43 4.64 -0.44 -4.96 116.55 104.14 1ud8 n ASP 224 Ca 0.06 -0.56 -0.30 0.00 -1.38 0.00 0.00 54.79 52.60 1ud8 n ASP 224 Cb 0.38 -5.04 0.21 0.00 -1.04 0.00 0.00 41.12 35.63 1ud8 n ASP 224 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1ud8 n LEU 225 N -4.68 -0.60 0.00 -2.67 4.77 -0.87 -4.91 117.00 108.03 1ud8 n LEU 225 Ca -0.09 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1ud8 n LEU 225 Cb 0.60 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1ud8 n LEU 225 CO 0.63 -3.08 0.34 0.47 -1.33 0.00 0.00 177.39 174.43 1ud8 n ASP 226 N -3.67 1.14 0.00 -1.43 8.00 0.09 -4.96 116.55 115.72 1ud8 n ASP 226 Ca 0.05 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1ud8 n ASP 226 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1ud8 n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud8 n GLY 227 N -0.23 -2.38 3.10 0.44 0.00 -1.20 -1.13 105.19 103.79 1ud8 n GLY 227 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1ud8 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ud8 s TYR 228 N -2.13 0.57 -0.52 1.61 1.51 -0.05 -1.50 117.35 116.83 1ud8 s TYR 228 Ca 0.00 -1.04 0.04 0.00 -1.01 0.00 0.00 57.07 55.06 1ud8 s TYR 228 Cb 0.00 -0.40 0.14 0.00 -0.11 0.00 0.00 41.96 41.58 1ud8 s TYR 228 CO 0.00 -0.34 0.28 0.50 -1.11 0.00 0.00 175.55 174.88 1ud8 s ARG 229 N -3.87 1.84 -0.12 -0.62 3.00 -0.12 -2.00 118.95 117.07 1ud8 s ARG 229 Ca 0.07 -2.55 -0.29 0.00 -1.00 0.00 0.00 55.73 51.96 1ud8 s ARG 229 Cb 0.07 -3.05 -0.05 0.00 0.00 0.00 0.00 34.95 31.93 1ud8 s ARG 229 CO -0.09 -1.15 1.77 -0.51 0.00 0.00 0.00 175.30 175.32 1ud8 s LEU 230 N -0.26 4.07 0.35 -0.88 1.43 -0.39 -2.28 118.68 120.71 1ud8 s LEU 230 Ca 0.18 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 55.12 1ud8 s LEU 230 Cb -0.22 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1ud8 s LEU 230 CO -0.02 -1.21 0.86 -0.62 0.23 0.00 0.00 176.35 175.59 1ud8 s ASP 231 N 4.51 6.98 0.00 2.29 2.15 -0.67 0.01 116.67 131.93 1ud8 s ASP 231 Ca 0.79 1.56 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1ud8 s ASP 231 Cb -0.32 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 1ud8 s ASP 231 CO 0.32 -0.21 0.00 0.00 -0.17 0.00 0.00 175.17 175.11 1ud8 n ALA 232 N -0.17 -0.92 0.00 3.66 0.00 -1.24 -4.73 120.51 117.10 1ud8 n ALA 232 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ud8 n ALA 232 Cb 0.53 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1ud8 n ALA 232 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ud8 n ILE 233 N -2.34 0.03 1.12 0.00 -5.35 -1.16 -0.72 119.36 110.94 1ud8 n ILE 233 Ca 0.00 0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.61 1ud8 n ILE 233 Cb 0.46 -1.01 0.26 0.00 -1.74 0.00 0.00 39.64 37.61 1ud8 n ILE 233 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1ud8 n LYS 234 N -0.92 0.50 0.00 6.28 2.85 -1.26 -3.58 118.16 122.03 1ud8 n LYS 234 Ca 0.00 -0.32 0.06 0.00 -1.05 0.00 0.00 58.31 57.00 1ud8 n LYS 234 Cb 0.00 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 32.88 1ud8 n LYS 234 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ud8 n HIS 235 N -0.97 0.00 -3.81 5.58 8.25 0.10 -1.47 115.22 122.90 1ud8 n HIS 235 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 1ud8 n HIS 235 Cb 0.35 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 1ud8 n HIS 235 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ud8 s ILE 236 N -1.61 5.10 -0.21 1.59 1.01 -1.23 -4.50 121.20 121.35 1ud8 s ILE 236 Ca 0.10 0.08 -0.42 0.00 0.00 0.00 0.00 60.65 60.41 1ud8 s ILE 236 Cb 0.10 -3.34 -0.19 0.00 0.01 0.00 0.00 42.46 39.04 1ud8 s ILE 236 CO 0.32 0.41 1.40 -0.81 0.00 0.00 0.00 174.94 176.26 1ud8 n PRO 237 N 3.88 0.32 -0.12 2.79 -0.04 -1.25 -4.78 135.00 135.80 1ud8 n PRO 237 Ca -0.16 0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1ud8 n PRO 237 Cb 0.52 -1.66 0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1ud8 n PRO 237 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ud8 h PHE 238 N 4.57 -0.03 -0.78 0.54 0.04 -0.84 -2.62 116.94 117.81 1ud8 h PHE 238 Ca -0.47 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.48 1ud8 h PHE 238 Cb 1.38 0.07 -0.10 0.00 2.20 0.00 0.00 35.95 39.50 1ud8 h PHE 238 CO 0.63 -0.08 0.32 0.11 -0.60 0.00 0.00 178.31 178.69 1ud8 h TRP 239 N 0.10 0.54 -0.50 -0.55 5.08 -1.87 -2.06 115.95 116.68 1ud8 h TRP 239 Ca 0.19 0.04 -0.09 0.00 1.08 0.00 0.00 58.89 60.11 1ud8 h TRP 239 Cb 0.27 -0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 26.29 1ud8 h TRP 239 CO -0.27 0.06 -0.03 -0.92 -1.28 0.00 0.00 178.44 176.00 1ud8 h TYR 240 N 0.45 0.94 -0.31 0.12 3.20 -1.83 0.35 116.97 119.90 1ud8 h TYR 240 Ca 0.43 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1ud8 h TYR 240 Cb 0.67 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1ud8 h TYR 240 CO -0.16 0.87 0.13 1.15 -1.64 0.00 0.00 178.16 178.51 1ud8 h THR 241 N 0.80 1.18 -0.81 1.81 2.02 -1.32 0.83 112.91 117.42 1ud8 h THR 241 Ca 0.15 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1ud8 h THR 241 Cb 0.53 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1ud8 h THR 241 CO 0.03 0.19 0.53 -1.28 0.37 0.00 0.00 175.52 175.36 1ud8 h SER 242 N 0.36 0.91 0.48 4.18 0.87 -1.21 -0.36 113.55 118.79 1ud8 h SER 242 Ca 0.10 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1ud8 h SER 242 Cb 0.17 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1ud8 h SER 242 CO -0.01 0.65 -0.24 0.44 -0.53 0.00 0.00 176.83 177.14 1ud8 h ASP 243 N 1.08 -0.57 -0.48 6.23 5.19 -0.21 -2.16 116.42 125.49 1ud8 h ASP 243 Ca 0.31 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.82 1ud8 h ASP 243 Cb -0.09 0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.51 1ud8 h ASP 243 CO -0.08 -0.40 0.11 -0.25 -3.12 0.00 0.00 179.24 175.50 1ud8 h TRP 244 N -0.65 0.17 0.14 4.55 7.01 0.10 0.44 115.95 127.72 1ud8 h TRP 244 Ca -0.06 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.97 1ud8 h TRP 244 Cb 0.51 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1ud8 h TRP 244 CO -0.05 0.01 -0.17 0.28 -2.79 0.00 0.00 178.44 175.73 1ud8 h VAL 245 N 0.25 0.63 -0.61 2.65 2.07 -0.99 0.21 116.25 120.45 1ud8 h VAL 245 Ca 0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.79 1ud8 h VAL 245 Cb 0.31 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1ud8 h VAL 245 CO -0.30 0.00 0.37 0.03 0.02 0.00 0.00 177.57 177.69 1ud8 h ARG 246 N -0.35 0.70 -0.24 1.57 3.08 -1.03 -1.00 114.38 117.12 1ud8 h ARG 246 Ca 0.01 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ud8 h ARG 246 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ud8 h ARG 246 CO -0.06 0.47 0.14 1.25 -1.07 0.00 0.00 179.97 180.70 1ud8 h HIS 247 N 0.73 0.26 -0.34 3.04 2.76 -0.52 -1.43 115.15 119.66 1ud8 h HIS 247 Ca 0.25 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 1ud8 h HIS 247 Cb 0.03 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1ud8 h HIS 247 CO -0.06 0.16 0.13 1.96 -1.30 0.00 0.00 177.93 178.82 1ud8 h GLN 248 N 0.29 0.28 -0.31 5.26 1.08 -0.07 -2.13 115.11 119.51 1ud8 h GLN 248 Ca 0.09 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1ud8 h GLN 248 Cb -0.01 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1ud8 h GLN 248 CO -0.04 0.19 -0.02 0.00 -0.95 0.00 0.00 178.83 178.01 1ud8 h ARG 249 N 0.29 0.49 -0.31 1.46 3.08 -1.06 -2.23 114.38 116.09 1ud8 h ARG 249 Ca 0.15 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1ud8 h ARG 249 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1ud8 h ARG 249 CO -0.14 0.53 0.01 -0.97 -1.07 0.00 0.00 179.97 178.33 1ud8 h ASN 250 N 0.47 0.43 1.16 7.04 -0.73 -0.63 -3.03 115.58 120.29 1ud8 h ASN 250 Ca 0.10 -0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.11 1ud8 h ASN 250 Cb 0.33 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1ud8 h ASN 250 CO 0.01 0.49 -0.88 -0.33 -0.37 0.00 0.00 177.43 176.36 1ud8 h GLU 251 N 0.45 0.00 -5.68 6.67 4.39 -0.85 -3.47 114.58 116.10 1ud8 h GLU 251 Ca 0.10 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.13 1ud8 h GLU 251 Cb 0.28 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.85 1ud8 h GLU 251 CO 0.01 0.25 -0.51 0.00 -1.16 0.00 0.00 179.01 177.60 1ud8 s ALA 252 N -3.07 3.75 -0.05 3.43 0.00 -0.97 -5.01 121.76 119.84 1ud8 s ALA 252 Ca 0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 1ud8 s ALA 252 Cb 0.08 -1.89 -0.23 0.00 0.00 0.00 0.00 23.12 21.09 1ud8 s ALA 252 CO 0.77 0.58 1.06 -0.44 0.00 0.00 0.00 175.76 177.74 1ud8 h ASP 253 N 5.13 0.16 -4.20 0.00 3.32 -1.91 -3.46 116.42 115.46 1ud8 h ASP 253 Ca -0.53 -0.73 -0.53 0.00 0.02 0.00 0.00 57.03 55.26 1ud8 h ASP 253 Cb 1.22 -0.05 0.15 0.00 0.22 0.00 0.00 39.33 40.87 1ud8 h ASP 253 CO 0.58 0.86 0.36 0.00 -1.72 0.00 0.00 179.24 179.33 1ud8 s GLN 254 N -3.31 2.09 0.93 3.56 0.00 -1.26 -5.00 119.66 116.68 1ud8 s GLN 254 Ca -0.16 1.65 -0.12 0.00 -0.00 0.00 0.00 55.36 56.73 1ud8 s GLN 254 Cb 0.01 -1.84 0.15 0.00 0.00 0.00 0.00 33.01 31.33 1ud8 s GLN 254 CO 0.72 -1.85 1.09 -0.51 0.00 0.00 0.00 175.29 174.75 1ud8 s ASP 255 N -2.27 3.17 -0.29 12.60 1.01 -1.26 -5.04 116.67 124.58 1ud8 s ASP 255 Ca 0.71 1.39 -0.02 0.00 0.71 0.00 0.00 52.55 55.34 1ud8 s ASP 255 Cb -0.26 -2.06 0.12 0.00 1.01 0.00 0.00 42.92 41.72 1ud8 s ASP 255 CO 0.47 -2.81 0.22 -0.76 0.21 0.00 0.00 175.17 172.50 1ud8 s LEU 256 N -6.31 0.15 0.48 1.23 1.43 -1.26 -4.60 118.68 109.80 1ud8 s LEU 256 Ca 0.64 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 1ud8 s LEU 256 Cb -0.18 0.10 -0.07 0.00 0.03 0.00 0.00 46.19 46.07 1ud8 s LEU 256 CO 0.57 -0.41 1.24 0.12 0.23 0.00 0.00 176.35 178.11 1ud8 s PHE 257 N 2.19 2.68 -0.23 0.29 5.36 -0.28 -4.83 117.98 123.16 1ud8 s PHE 257 Ca 0.10 1.47 -0.04 0.00 -0.96 0.00 0.00 56.93 57.50 1ud8 s PHE 257 Cb -0.15 -3.55 0.10 0.00 -0.34 0.00 0.00 43.02 39.08 1ud8 s PHE 257 CO -0.33 -2.02 0.19 0.08 -1.46 0.00 0.00 175.22 171.68 1ud8 s VAL 258 N -1.43 -0.25 -0.19 3.12 1.01 -1.26 -0.87 120.40 120.52 1ud8 s VAL 258 Ca 0.65 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1ud8 s VAL 258 Cb -0.33 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1ud8 s VAL 258 CO 0.41 -0.37 -0.01 0.54 0.00 0.00 0.00 175.10 175.66 1ud8 s VAL 259 N 2.26 3.87 0.03 2.92 0.11 -0.85 -1.45 120.40 127.29 1ud8 s VAL 259 Ca 0.07 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1ud8 s VAL 259 Cb -0.15 -2.74 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1ud8 s VAL 259 CO -0.20 0.44 0.08 -0.83 -3.33 0.00 0.00 175.10 171.27 1ud8 s GLY 260 N 0.89 2.02 -0.79 6.54 0.00 -0.43 -1.27 107.32 114.29 1ud8 s GLY 260 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 1ud8 s GLY 260 CO 0.02 -0.84 0.77 1.85 0.00 0.00 0.00 173.10 174.90 1ud8 s GLU 261 N -1.99 3.49 -0.77 2.90 2.12 0.10 -2.63 118.70 121.92 1ud8 s GLU 261 Ca 0.26 -2.20 -0.10 0.00 0.36 0.00 0.00 54.97 53.28 1ud8 s GLU 261 Cb -0.12 -4.46 0.20 0.00 0.26 0.00 0.00 34.13 30.01 1ud8 s GLU 261 CO 0.17 -1.37 0.67 -0.47 -0.54 0.00 0.00 175.26 173.72 1ud8 s TYR 262 N 0.82 3.65 -0.99 5.30 6.14 -1.26 -2.97 117.35 128.05 1ud8 s TYR 262 Ca 0.17 -2.26 -0.23 0.00 0.64 0.00 0.00 57.07 55.38 1ud8 s TYR 262 Cb -0.13 -3.60 -0.00 0.00 0.42 0.00 0.00 41.96 38.64 1ud8 s TYR 262 CO -0.06 -0.93 1.72 -0.46 0.64 0.00 0.00 175.55 176.45 1ud8 s TRP 263 N 0.03 2.17 -0.16 4.97 -0.11 -1.26 -4.84 118.94 119.75 1ud8 s TRP 263 Ca 0.18 -0.12 -0.07 0.00 1.22 0.00 0.00 56.10 57.31 1ud8 s TRP 263 Cb -0.13 -4.36 0.06 0.00 -1.50 0.00 0.00 33.47 27.54 1ud8 s TRP 263 CO -0.07 -1.81 0.36 0.21 -4.62 0.00 0.00 176.95 171.03 1ud8 s LYS 264 N 5.97 0.31 -1.21 5.86 2.20 -1.26 -5.04 119.74 126.58 1ud8 s LYS 264 Ca 0.59 0.78 -0.17 0.00 -0.36 0.00 0.00 55.97 56.81 1ud8 s LYS 264 Cb -0.03 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1ud8 s LYS 264 CO -0.04 -0.19 2.07 -3.47 -0.36 0.00 0.00 175.35 173.36 1ud8 n ASP 265 N 4.61 3.51 -3.15 1.43 2.03 -1.26 -4.31 116.55 119.40 1ud8 n ASP 265 Ca -0.19 -2.79 0.05 0.00 0.52 0.00 0.00 54.79 52.38 1ud8 n ASP 265 Cb 0.53 -1.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.42 1ud8 n ASP 265 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud8 s ASP 266 N 4.05 -1.10 0.35 1.67 -1.08 -1.26 -4.95 116.67 114.34 1ud8 s ASP 266 Ca 0.52 0.49 0.10 0.00 -0.52 0.00 0.00 52.55 53.14 1ud8 s ASP 266 Cb 0.12 1.84 0.64 0.00 -1.46 0.00 0.00 42.92 44.06 1ud8 s ASP 266 CO 0.01 -0.20 1.80 1.62 0.52 0.00 0.00 175.17 178.91 1ud8 h VAL 267 N 5.66 1.26 -0.03 1.11 3.04 -1.82 -2.72 116.25 122.76 1ud8 h VAL 267 Ca -0.14 -1.26 0.01 0.00 -1.01 0.00 0.00 66.70 64.29 1ud8 h VAL 267 Cb 1.17 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1ud8 h VAL 267 CO 0.11 0.37 -0.01 1.23 -1.01 0.00 0.00 177.57 178.26 1ud8 h GLY 268 N 1.08 0.03 0.40 3.17 0.00 -1.96 0.41 103.07 106.20 1ud8 h GLY 268 Ca 0.02 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.45 1ud8 h GLY 268 CO 0.05 -0.01 0.24 0.00 0.00 0.00 0.00 176.54 176.82 1ud8 h ALA 269 N 1.03 0.81 -0.61 3.60 0.00 -1.90 0.18 119.26 122.37 1ud8 h ALA 269 Ca 0.02 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1ud8 h ALA 269 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ud8 h ALA 269 CO -0.03 -0.17 0.00 -0.07 0.00 0.00 0.00 179.25 178.97 1ud8 h LEU 270 N 0.43 1.05 -0.16 0.00 4.07 -1.10 -1.87 115.31 117.74 1ud8 h LEU 270 Ca 0.31 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1ud8 h LEU 270 Cb 0.38 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1ud8 h LEU 270 CO -0.30 1.10 0.08 -0.33 -1.08 0.00 0.00 178.44 177.91 1ud8 h GLU 271 N 0.98 0.23 -0.29 1.13 5.08 0.86 -0.71 114.58 121.86 1ud8 h GLU 271 Ca 0.17 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1ud8 h GLU 271 Cb 0.56 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 1ud8 h GLU 271 CO 0.03 0.27 -0.17 0.35 -1.00 0.00 0.00 179.01 178.49 1ud8 h PHE 272 N 0.13 -0.43 -0.85 4.33 -0.00 -0.55 0.01 116.94 119.57 1ud8 h PHE 272 Ca 0.05 0.04 0.03 0.00 -0.00 0.00 0.00 57.97 58.09 1ud8 h PHE 272 Cb 0.12 0.24 -0.05 0.00 -0.00 0.00 0.00 35.95 36.25 1ud8 h PHE 272 CO -0.03 -0.25 0.56 -0.92 -0.00 0.00 0.00 178.31 177.68 1ud8 h TYR 273 N -0.14 1.03 0.00 0.41 3.20 -1.06 -0.18 116.97 120.23 1ud8 h TYR 273 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1ud8 h TYR 273 Cb 0.37 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1ud8 h TYR 273 CO -0.36 0.60 0.00 -0.07 -1.64 0.00 0.00 178.16 176.69 1ud8 h LEU 274 N 1.07 0.00 0.32 2.82 3.38 0.48 -0.63 115.31 122.75 1ud8 h LEU 274 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1ud8 h LEU 274 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ud8 h LEU 274 CO -0.10 0.00 -0.15 0.44 0.09 0.00 0.00 178.44 178.72 1ud8 h ASP 275 N 0.00 -0.36 -0.05 -0.43 3.32 0.71 0.58 116.42 120.19 1ud8 h ASP 275 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ud8 h ASP 275 Cb 0.52 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ud8 h ASP 275 CO 0.00 0.09 0.07 -0.33 -1.72 0.00 0.00 179.24 177.36 1ud8 h GLU 276 N -0.97 0.00 0.00 3.56 4.39 -1.25 0.12 114.58 120.43 1ud8 h GLU 276 Ca -0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1ud8 h GLU 276 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1ud8 h GLU 276 CO 0.07 0.00 -0.57 0.52 -1.16 0.00 0.00 179.01 177.87 1ud8 h MET 277 N 0.00 0.00 -4.08 2.33 2.86 -0.97 -3.48 114.93 111.60 1ud8 h MET 277 Ca 0.02 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.43 1ud8 h MET 277 Cb 0.17 0.00 0.09 0.00 0.06 0.00 0.00 31.60 31.92 1ud8 h MET 277 CO -0.00 0.24 -0.44 -1.71 1.06 0.00 0.00 176.91 176.06 1ud8 n ASN 278 N -3.05 -3.84 -3.73 1.22 5.15 0.40 -3.47 115.26 107.95 1ud8 n ASN 278 Ca 0.00 -0.35 -0.21 0.00 -0.60 0.00 0.00 54.58 53.42 1ud8 n ASN 278 Cb 0.66 -3.32 -0.07 0.00 -0.53 0.00 0.00 39.78 36.52 1ud8 n ASN 278 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ud8 n TRP 279 N -3.69 -0.85 -0.98 1.20 7.02 0.02 -4.79 117.44 115.37 1ud8 n TRP 279 Ca -0.05 0.40 0.02 0.00 -1.02 0.00 0.00 57.50 56.85 1ud8 n TRP 279 Cb 0.56 -1.88 0.36 0.00 -2.42 0.00 0.00 31.31 27.92 1ud8 n TRP 279 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1ud8 n GLU 280 N -3.42 4.31 -3.55 -0.99 1.02 -1.23 -4.92 120.64 111.86 1ud8 n GLU 280 Ca -0.22 -3.13 -0.06 0.00 -0.02 0.00 0.00 57.16 53.73 1ud8 n GLU 280 Cb 0.47 -2.22 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 1ud8 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ud8 s MET 281 N -2.88 0.66 0.44 3.49 0.23 -1.26 -4.81 119.30 115.17 1ud8 s MET 281 Ca 0.54 -0.26 0.08 0.00 -1.03 0.00 0.00 55.69 55.02 1ud8 s MET 281 Cb 0.42 0.29 0.01 0.00 -1.53 0.00 0.00 34.83 34.03 1ud8 s MET 281 CO 0.14 -0.29 0.55 -1.12 -2.03 0.00 0.00 175.02 172.28 1ud8 s SER 282 N -2.43 5.41 0.03 -1.18 0.01 -0.52 -4.89 113.70 110.12 1ud8 s SER 282 Ca 0.07 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1ud8 s SER 282 Cb -0.01 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 1ud8 s SER 282 CO -0.07 -0.83 -0.07 -0.76 0.41 0.00 0.00 173.24 171.93 1ud8 s LEU 283 N -4.34 2.17 0.16 2.44 1.43 -0.96 -1.32 118.68 118.26 1ud8 s LEU 283 Ca 0.54 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1ud8 s LEU 283 Cb -0.08 -0.20 -0.11 0.00 0.03 0.00 0.00 46.19 45.84 1ud8 s LEU 283 CO 0.32 -0.11 1.72 -0.36 0.23 0.00 0.00 176.35 178.15 1ud8 s PHE 284 N -0.95 2.65 -1.02 0.29 0.08 -1.08 -1.97 117.98 115.98 1ud8 s PHE 284 Ca -0.06 0.28 -0.23 0.00 0.12 0.00 0.00 56.93 57.05 1ud8 s PHE 284 Cb -0.07 -4.09 -0.12 0.00 -0.57 0.00 0.00 43.02 38.16 1ud8 s PHE 284 CO 0.00 -4.27 1.92 -3.47 -0.10 0.00 0.00 175.22 169.31 1ud8 n ASP 285 N 4.68 2.83 0.21 1.36 -0.08 -0.78 -4.75 116.55 120.01 1ud8 n ASP 285 Ca 0.16 -2.69 0.04 0.00 -1.51 0.00 0.00 54.79 50.80 1ud8 n ASP 285 Cb 0.37 -1.50 0.46 0.00 2.34 0.00 0.00 41.12 42.79 1ud8 n ASP 285 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ud8 h VAL 286 N 5.57 1.17 -0.35 5.18 2.07 -1.88 -2.28 116.25 125.73 1ud8 h VAL 286 Ca 0.29 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1ud8 h VAL 286 Cb 0.84 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1ud8 h VAL 286 CO 1.49 0.23 -0.34 -0.65 0.02 0.00 0.00 177.57 178.32 1ud8 h PRO 287 N 0.01 0.78 -0.56 1.57 0.11 -1.86 -2.68 132.00 129.38 1ud8 h PRO 287 Ca -0.00 -0.38 0.02 0.00 0.11 0.00 0.00 66.00 65.75 1ud8 h PRO 287 Cb 0.41 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1ud8 h PRO 287 CO 0.03 1.00 0.35 1.25 -0.21 0.00 0.00 178.00 180.42 1ud8 h LEU 288 N 0.65 0.57 -0.63 2.35 5.85 -1.75 0.11 115.31 122.46 1ud8 h LEU 288 Ca 0.07 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.92 1ud8 h LEU 288 Cb 0.89 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1ud8 h LEU 288 CO 0.08 0.40 0.03 -1.13 -0.34 0.00 0.00 178.44 177.48 1ud8 h ASN 289 N 0.69 -0.22 1.51 1.25 -1.24 -1.13 0.17 115.58 116.60 1ud8 h ASN 289 Ca 0.22 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1ud8 h ASN 289 Cb -0.01 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1ud8 h ASN 289 CO -0.08 -0.10 0.00 1.88 -1.29 0.00 0.00 177.43 177.84 1ud8 h TYR 290 N 0.14 0.00 0.18 0.67 0.05 -1.05 -0.85 116.97 116.12 1ud8 h TYR 290 Ca 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.10 1ud8 h TYR 290 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1ud8 h TYR 290 CO -0.35 0.00 -0.09 -0.91 -1.05 0.00 0.00 178.16 175.77 1ud8 h ASN 291 N 0.00 -0.21 -0.42 3.88 2.35 0.18 -0.28 115.58 121.09 1ud8 h ASN 291 Ca 0.00 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 55.50 1ud8 h ASN 291 Cb 0.75 0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.12 1ud8 h ASN 291 CO 0.00 0.27 0.08 -0.26 -1.65 0.00 0.00 177.43 175.88 1ud8 h PHE 292 N -0.76 0.14 -0.21 1.19 0.04 -1.00 -1.00 116.94 115.33 1ud8 h PHE 292 Ca -0.02 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1ud8 h PHE 292 Cb 0.51 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.61 1ud8 h PHE 292 CO 0.07 0.01 -0.14 -0.92 -0.60 0.00 0.00 178.31 176.72 1ud8 h TYR 293 N 0.21 -0.36 -0.84 -0.55 3.20 -1.10 0.24 116.97 117.79 1ud8 h TYR 293 Ca 0.20 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.16 1ud8 h TYR 293 Cb 0.25 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1ud8 h TYR 293 CO -0.20 -0.21 0.51 0.00 -1.64 0.00 0.00 178.16 176.62 1ud8 h ARG 294 N -0.14 0.90 -0.84 1.82 3.08 -0.47 -1.28 114.38 117.46 1ud8 h ARG 294 Ca 0.12 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1ud8 h ARG 294 Cb 0.32 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1ud8 h ARG 294 CO -0.30 0.60 0.38 0.00 -1.07 0.00 0.00 179.97 179.59 1ud8 h ALA 295 N 1.40 1.10 -0.48 0.04 0.00 -0.19 -0.78 119.26 120.35 1ud8 h ALA 295 Ca 0.37 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1ud8 h ALA 295 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ud8 h ALA 295 CO -0.18 0.67 -0.09 1.03 0.00 0.00 0.00 179.25 180.68 1ud8 h SER 296 N 1.20 0.91 -0.08 0.00 0.87 -0.06 -2.22 113.55 114.17 1ud8 h SER 296 Ca 0.29 -0.35 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1ud8 h SER 296 Cb 0.14 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1ud8 h SER 296 CO -0.03 1.05 -0.27 1.56 -0.53 0.00 0.00 176.83 178.61 1ud8 h GLN 297 N 0.76 0.32 -0.54 2.24 1.08 -1.16 -3.35 115.11 114.46 1ud8 h GLN 297 Ca 0.12 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 56.97 1ud8 h GLN 297 Cb 0.64 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 1ud8 h GLN 297 CO 0.04 0.87 -0.11 0.37 -0.95 0.00 0.00 178.83 179.06 1ud8 h GLN 298 N -0.16 1.03 0.00 1.46 4.15 -1.19 -3.50 115.11 116.90 1ud8 h GLN 298 Ca -0.01 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1ud8 h GLN 298 Cb 0.90 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1ud8 h GLN 298 CO 0.06 1.07 0.00 0.41 -1.93 0.00 0.00 178.83 178.43 1ud8 n GLY 299 N -0.28 0.50 0.14 2.39 0.00 -0.84 -4.41 105.19 102.69 1ud8 n GLY 299 Ca 0.02 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.32 1ud8 n GLY 299 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ud8 h GLY 300 N 0.00 0.00 1.10 -0.02 0.00 -1.86 -3.20 103.07 99.09 1ud8 h GLY 300 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1ud8 h GLY 300 CO 0.00 0.00 0.33 1.48 0.00 0.00 0.00 176.54 178.35 1ud8 h SER 301 N 0.00 0.05 -2.38 0.19 4.64 -1.89 -3.41 113.55 110.74 1ud8 h SER 301 Ca -0.01 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1ud8 h SER 301 Cb 1.36 -0.01 0.06 0.00 -0.31 0.00 0.00 62.40 63.50 1ud8 h SER 301 CO 0.07 0.03 0.78 0.00 -0.87 0.00 0.00 176.83 176.83 1ud8 n TYR 302 N -4.41 2.30 -2.60 4.77 9.36 -1.21 -4.88 117.16 120.49 1ud8 n TYR 302 Ca 0.08 0.28 -0.41 0.00 3.32 0.00 0.00 57.90 61.17 1ud8 n TYR 302 Cb 0.50 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.65 1ud8 n TYR 302 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ud8 s ASP 303 N 0.81 6.21 0.09 2.98 -1.08 -1.26 -4.84 116.67 119.58 1ud8 s ASP 303 Ca 0.76 -0.42 0.04 0.00 -0.52 0.00 0.00 52.55 52.42 1ud8 s ASP 303 Cb -0.66 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 38.47 1ud8 s ASP 303 CO 0.40 -1.72 0.97 0.23 0.52 0.00 0.00 175.17 175.56 1ud8 n MET 304 N 9.00 0.03 0.16 4.34 2.81 -0.29 -1.67 117.12 131.49 1ud8 n MET 304 Ca 0.03 0.39 0.03 0.00 -1.81 0.00 0.00 57.70 56.35 1ud8 n MET 304 Cb 0.49 -1.78 0.23 0.00 -0.71 0.00 0.00 33.22 31.44 1ud8 n MET 304 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ud8 h ARG 305 N 0.00 0.00 -0.64 0.03 3.08 -1.81 -3.06 114.38 111.98 1ud8 h ARG 305 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ud8 h ARG 305 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ud8 h ARG 305 CO 0.00 0.48 0.00 0.09 -1.07 0.00 0.00 179.97 179.47 1ud8 n ASN 306 N -3.52 4.39 -0.10 7.04 5.03 -0.67 -4.45 115.26 122.98 1ud8 n ASN 306 Ca -0.00 -2.50 -0.03 0.00 0.87 0.00 0.00 54.58 52.92 1ud8 n ASN 306 Cb 0.59 -0.57 0.20 0.00 -1.02 0.00 0.00 39.78 38.98 1ud8 n ASN 306 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1ud8 h ILE 307 N 3.44 1.23 -0.01 2.41 6.09 -1.68 -2.75 117.51 126.24 1ud8 h ILE 307 Ca 0.00 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.61 1ud8 h ILE 307 Cb 1.42 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.51 1ud8 h ILE 307 CO 0.27 0.32 -0.72 0.18 -3.07 0.00 0.00 178.15 175.12 1ud8 n LEU 308 N -4.25 1.23 -4.68 2.19 4.77 -1.26 -4.77 117.00 110.22 1ud8 n LEU 308 Ca 0.03 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 1ud8 n LEU 308 Cb 0.26 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1ud8 n LEU 308 CO 0.40 0.27 1.33 -0.60 -1.33 0.00 0.00 177.39 177.46 1ud8 s ARG 309 N -2.81 4.20 0.00 3.23 3.52 -1.04 -2.08 118.95 123.96 1ud8 s ARG 309 Ca 0.13 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1ud8 s ARG 309 Cb 0.17 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1ud8 s ARG 309 CO 0.73 -0.76 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1ud8 n GLY 310 N 4.02 3.21 3.61 8.12 0.00 -1.26 -5.01 105.19 117.88 1ud8 n GLY 310 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1ud8 n GLY 310 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ud8 n SER 311 N 0.02 -0.11 0.03 1.61 3.41 -0.89 -4.41 113.62 113.28 1ud8 n SER 311 Ca 0.00 0.44 -0.19 0.00 -0.26 0.00 0.00 58.87 58.86 1ud8 n SER 311 Cb 0.00 -1.42 -0.11 0.00 -0.26 0.00 0.00 64.21 62.42 1ud8 n SER 311 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ud8 h LEU 312 N -1.58 0.71 -1.28 1.04 5.85 -1.89 -3.27 115.31 114.90 1ud8 h LEU 312 Ca -0.44 -0.76 0.16 0.00 0.84 0.00 0.00 57.88 57.69 1ud8 h LEU 312 Cb 1.28 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.02 1ud8 h LEU 312 CO 0.41 1.38 0.59 1.62 -0.34 0.00 0.00 178.44 182.10 1ud8 h VAL 313 N 0.12 0.78 -0.04 1.05 3.04 -1.91 0.34 116.25 119.62 1ud8 h VAL 313 Ca -0.11 -0.22 0.01 0.00 -1.01 0.00 0.00 66.70 65.37 1ud8 h VAL 313 Cb 1.52 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1ud8 h VAL 313 CO 0.16 0.12 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.74 1ud8 h GLU 314 N 0.65 -0.02 -0.03 4.17 4.81 -1.80 -1.93 114.58 120.43 1ud8 h GLU 314 Ca 0.48 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.60 1ud8 h GLU 314 Cb 0.84 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.24 1ud8 h GLU 314 CO -0.23 -0.02 -0.39 0.00 -0.73 0.00 0.00 179.01 177.64 1ud8 h ALA 315 N 1.02 0.09 -2.18 2.92 0.00 -1.19 -3.41 119.26 116.51 1ud8 h ALA 315 Ca 0.03 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 1ud8 h ALA 315 Cb 0.06 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.47 1ud8 h ALA 315 CO -0.06 0.22 -1.02 0.72 0.00 0.00 0.00 179.25 179.11 1ud8 n HIS 316 N -4.38 -0.31 0.50 0.00 8.25 0.10 -4.97 115.22 114.41 1ud8 n HIS 316 Ca -0.09 -3.51 0.00 0.00 -0.26 0.00 0.00 57.72 53.86 1ud8 n HIS 316 Cb 0.56 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1ud8 n HIS 316 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ud8 n PRO 317 N 1.96 0.25 -0.01 -0.41 -0.04 -0.73 -1.69 135.00 134.34 1ud8 n PRO 317 Ca 0.25 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1ud8 n PRO 317 Cb 0.50 -1.00 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 1ud8 n PRO 317 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1ud8 n MET 318 N -0.48 0.67 -2.27 0.54 1.56 -1.26 -1.40 117.12 114.48 1ud8 n MET 318 Ca 0.00 -0.10 -0.19 0.00 -0.27 0.00 0.00 57.70 57.13 1ud8 n MET 318 Cb 0.00 -1.27 0.02 0.00 2.15 0.00 0.00 33.22 34.12 1ud8 n MET 318 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1ud8 n HIS 319 N -1.86 2.50 -4.54 1.12 8.25 -0.68 -4.90 115.22 115.12 1ud8 n HIS 319 Ca -0.02 -2.36 -0.23 0.00 -0.26 0.00 0.00 57.72 54.85 1ud8 n HIS 319 Cb 0.31 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 31.00 1ud8 n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ud8 s ALA 320 N -3.61 1.48 -0.34 -1.41 0.00 -1.21 -2.26 121.76 114.41 1ud8 s ALA 320 Ca 0.45 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1ud8 s ALA 320 Cb 0.39 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 23.34 1ud8 s ALA 320 CO -0.01 0.32 0.12 0.08 0.00 0.00 0.00 175.76 176.27 1ud8 s VAL 321 N -0.78 1.16 0.30 0.00 1.01 -0.83 -1.50 120.40 119.76 1ud8 s VAL 321 Ca 0.05 -1.73 -0.26 0.00 0.00 0.00 0.00 61.98 60.04 1ud8 s VAL 321 Cb -0.08 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 1ud8 s VAL 321 CO 0.01 -0.71 0.92 0.42 0.00 0.00 0.00 175.10 175.75 1ud8 s THR 322 N 1.30 4.22 0.24 3.92 -4.23 -0.42 -1.87 115.64 118.80 1ud8 s THR 322 Ca 0.11 1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 62.26 1ud8 s THR 322 Cb -0.19 -4.04 0.02 0.00 1.34 0.00 0.00 72.50 69.63 1ud8 s THR 322 CO -0.18 0.20 0.61 0.72 -0.54 0.00 0.00 174.62 175.42 1ud8 s PHE 323 N -1.54 -0.08 -0.18 3.99 -0.71 -1.26 0.11 117.98 118.31 1ud8 s PHE 323 Ca 0.48 -0.31 0.04 0.00 -1.04 0.00 0.00 56.93 56.10 1ud8 s PHE 323 Cb -0.19 0.50 -0.14 0.00 -1.21 0.00 0.00 43.02 41.98 1ud8 s PHE 323 CO 0.25 -1.07 -0.12 0.28 -1.34 0.00 0.00 175.22 173.21 1ud8 n VAL 324 N -0.40 1.09 -3.77 -2.49 0.31 -1.26 -4.58 118.33 107.22 1ud8 n VAL 324 Ca -0.06 -0.47 -0.06 0.00 -0.01 0.00 0.00 64.34 63.74 1ud8 n VAL 324 Cb 0.61 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.46 1ud8 n VAL 324 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ud8 s ASP 325 N -5.65 -0.25 0.18 4.52 1.01 -1.26 -4.70 116.67 110.52 1ud8 s ASP 325 Ca -0.22 -0.46 -0.03 0.00 0.71 0.00 0.00 52.55 52.55 1ud8 s ASP 325 Cb 0.06 0.61 0.01 0.00 1.01 0.00 0.00 42.92 44.61 1ud8 s ASP 325 CO 0.48 -1.11 0.29 -0.46 0.21 0.00 0.00 175.17 174.57 1ud8 n ASN 326 N -0.45 -0.81 0.23 0.27 0.23 -1.26 -4.64 115.26 108.83 1ud8 n ASN 326 Ca -0.06 -1.92 0.17 0.00 -0.53 0.00 0.00 54.58 52.24 1ud8 n ASN 326 Cb 0.60 1.45 0.85 0.00 -2.08 0.00 0.00 39.78 40.60 1ud8 n ASN 326 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1ud8 h HIS 327 N 1.51 0.00 0.09 -2.53 2.07 -1.96 -0.58 115.15 113.76 1ud8 h HIS 327 Ca -0.15 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.10 1ud8 h HIS 327 Cb 0.61 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 1ud8 h HIS 327 CO 0.00 0.00 -1.34 -0.44 -3.07 0.00 0.00 177.93 173.08 1ud8 h ASP 328 N 0.00 0.30 0.53 3.10 3.32 -1.96 -3.35 116.42 118.36 1ud8 h ASP 328 Ca 0.07 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ud8 h ASP 328 Cb 0.40 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ud8 h ASP 328 CO -0.00 1.30 -0.62 0.35 -1.72 0.00 0.00 179.24 178.55 1ud8 n THR 329 N -3.43 0.08 -1.76 0.35 -2.24 -0.68 -0.55 114.28 106.05 1ud8 n THR 329 Ca -0.10 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1ud8 n THR 329 Cb 1.02 0.22 0.05 0.00 -2.10 0.00 0.00 70.33 69.52 1ud8 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud8 s GLN 330 N -3.05 2.73 -0.15 -0.78 -2.07 -0.31 -1.66 119.66 114.38 1ud8 s GLN 330 Ca 0.09 1.50 -0.40 0.00 -1.82 0.00 0.00 55.36 54.73 1ud8 s GLN 330 Cb 0.16 -1.93 -0.19 0.00 -1.09 0.00 0.00 33.01 29.96 1ud8 s GLN 330 CO 0.73 -1.32 1.17 -2.30 -1.32 0.00 0.00 175.29 172.24 1ud8 n PRO 331 N -2.33 0.00 0.00 9.60 -0.02 -1.26 -1.90 135.00 139.09 1ud8 n PRO 331 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1ud8 n PRO 331 Cb 0.51 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1ud8 n PRO 331 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ud8 n GLY 332 N 2.15 2.59 3.95 -1.23 0.00 -1.26 -5.04 105.19 106.36 1ud8 n GLY 332 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1ud8 n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ud8 s GLU 333 N -0.31 0.82 0.14 1.61 0.41 -0.80 -5.00 118.70 115.57 1ud8 s GLU 333 Ca 0.00 -0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 53.72 1ud8 s GLU 333 Cb 0.00 -1.97 0.01 0.00 -1.78 0.00 0.00 34.13 30.38 1ud8 s GLU 333 CO 0.00 -2.22 1.73 0.66 -0.49 0.00 0.00 175.26 174.94 1ud8 h SER 334 N -1.38 -0.02 -0.84 -0.19 4.64 -1.86 -3.07 113.55 110.82 1ud8 h SER 334 Ca -0.42 0.05 -0.56 0.00 -0.47 0.00 0.00 61.79 60.39 1ud8 h SER 334 Cb 1.24 0.07 -0.31 0.00 -0.31 0.00 0.00 62.40 63.08 1ud8 h SER 334 CO 0.36 0.02 0.21 0.18 -0.87 0.00 0.00 176.83 176.73 1ud8 n LEU 335 N -5.11 6.30 -4.55 5.97 4.77 0.28 -5.02 117.00 119.64 1ud8 n LEU 335 Ca -0.01 -4.31 -0.50 0.00 -0.03 0.00 0.00 56.01 51.16 1ud8 n LEU 335 Cb 0.12 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1ud8 n LEU 335 CO 0.26 1.61 0.65 1.21 -1.33 0.00 0.00 177.39 179.79 1ud8 n GLU 336 N -0.90 0.92 -2.32 3.23 2.13 -0.71 -3.77 120.64 119.21 1ud8 n GLU 336 Ca 0.53 0.33 -0.03 0.00 0.66 0.00 0.00 57.16 58.65 1ud8 n GLU 336 Cb 0.89 -1.80 0.05 0.00 0.27 0.00 0.00 31.44 30.85 1ud8 n GLU 336 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ud8 n SER 337 N 1.99 -1.00 -4.70 4.31 3.41 -0.66 -4.93 113.62 112.03 1ud8 n SER 337 Ca 0.16 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.63 1ud8 n SER 337 Cb 0.22 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 64.77 1ud8 n SER 337 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1ud8 n TRP 338 N -0.62 2.65 -2.93 7.33 -0.00 -1.02 -4.67 117.44 118.18 1ud8 n TRP 338 Ca -0.13 -0.07 -0.41 0.00 -0.00 0.00 0.00 57.50 56.88 1ud8 n TRP 338 Cb 0.69 -2.71 -0.04 0.00 -0.00 0.00 0.00 31.31 29.25 1ud8 n TRP 338 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ud8 s VAL 339 N 2.19 4.92 0.82 5.87 1.01 -1.26 -4.94 120.40 129.01 1ud8 s VAL 339 Ca 0.80 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 64.25 1ud8 s VAL 339 Cb -0.50 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 31.86 1ud8 s VAL 339 CO 0.36 0.09 1.16 0.00 0.00 0.00 0.00 175.10 176.70 1ud8 s ALA 340 N 1.80 1.85 0.30 5.51 0.00 -1.26 -4.69 121.76 125.27 1ud8 s ALA 340 Ca 0.38 0.63 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1ud8 s ALA 340 Cb -0.17 -3.42 0.77 0.00 0.00 0.00 0.00 23.12 20.30 1ud8 s ALA 340 CO 0.14 -2.26 1.73 -0.44 0.00 0.00 0.00 175.76 174.94 1ud8 h ASP 341 N -1.17 0.59 -0.43 0.00 3.45 -1.99 -0.89 116.42 115.98 1ud8 h ASP 341 Ca -0.45 0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.11 1ud8 h ASP 341 Cb 1.27 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 40.06 1ud8 h ASP 341 CO 0.46 0.13 0.15 4.11 -1.57 0.00 0.00 179.24 182.52 1ud8 h TRP 342 N 0.58 0.67 0.00 4.55 5.08 -1.97 -3.17 115.95 121.69 1ud8 h TRP 342 Ca 0.59 -0.06 0.00 0.00 1.08 0.00 0.00 58.89 60.50 1ud8 h TRP 342 Cb 1.05 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 1ud8 h TRP 342 CO -0.05 0.60 -0.64 0.35 -1.28 0.00 0.00 178.44 177.42 1ud8 h PHE 343 N 0.55 0.00 -0.17 0.12 3.57 -1.83 -3.37 116.94 115.80 1ud8 h PHE 343 Ca 0.14 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1ud8 h PHE 343 Cb 0.23 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ud8 h PHE 343 CO 0.01 0.00 0.15 -0.22 -2.23 0.00 0.00 178.31 176.02 1ud8 h LYS 344 N 0.00 0.00 -0.17 1.11 3.64 -1.14 -0.93 116.57 119.09 1ud8 h LYS 344 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1ud8 h LYS 344 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1ud8 h LYS 344 CO 0.00 0.00 -0.71 -1.35 -2.27 0.00 0.00 179.45 175.12 1ud8 h PRO 345 N 0.00 0.71 -0.37 1.90 0.11 -1.72 -2.58 132.00 130.05 1ud8 h PRO 345 Ca 0.08 -0.54 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1ud8 h PRO 345 Cb 0.38 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1ud8 h PRO 345 CO -0.00 1.16 0.18 -0.07 -0.21 0.00 0.00 178.00 179.06 1ud8 h LEU 346 N 0.50 0.48 0.12 2.35 4.07 -1.45 -2.24 115.31 119.14 1ud8 h LEU 346 Ca -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1ud8 h LEU 346 Cb 1.32 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1ud8 h LEU 346 CO 0.14 0.46 -0.06 0.00 -1.08 0.00 0.00 178.44 177.91 1ud8 h ALA 347 N 1.04 -0.15 -0.86 1.53 0.00 -1.33 -1.87 119.26 117.61 1ud8 h ALA 347 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ud8 h ALA 347 Cb 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1ud8 h ALA 347 CO -0.02 -0.57 0.56 1.88 0.00 0.00 0.00 179.25 181.10 1ud8 h TYR 348 N -0.18 0.97 -0.62 0.00 0.05 -1.38 -1.24 116.97 114.58 1ud8 h TYR 348 Ca -0.02 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1ud8 h TYR 348 Cb 0.14 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 1ud8 h TYR 348 CO -0.06 0.51 0.24 0.00 -1.05 0.00 0.00 178.16 177.80 1ud8 h ALA 349 N 1.53 0.80 -0.61 3.88 0.00 -1.19 -0.14 119.26 123.54 1ud8 h ALA 349 Ca 0.37 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1ud8 h ALA 349 Cb 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1ud8 h ALA 349 CO -0.13 0.43 0.34 1.15 0.00 0.00 0.00 179.25 181.04 1ud8 h THR 350 N 0.87 1.00 0.00 0.00 2.02 -0.40 -1.23 112.91 115.17 1ud8 h THR 350 Ca 0.20 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1ud8 h THR 350 Cb 0.22 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1ud8 h THR 350 CO -0.01 0.12 -0.75 0.16 0.37 0.00 0.00 175.52 175.41 1ud8 h ILE 351 N 0.66 0.00 0.00 3.11 3.07 -1.28 -3.32 117.51 119.75 1ud8 h ILE 351 Ca 0.26 -0.65 -0.16 0.00 1.55 0.00 0.00 64.86 65.86 1ud8 h ILE 351 Cb 0.12 1.20 -0.03 0.00 -0.27 0.00 0.00 36.82 37.84 1ud8 h ILE 351 CO -0.15 0.00 -1.99 0.18 -1.05 0.00 0.00 178.15 175.14 1ud8 n LEU 352 N -2.29 0.19 -0.20 0.16 4.77 -0.08 -4.35 117.00 115.20 1ud8 n LEU 352 Ca 0.02 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1ud8 n LEU 352 Cb 0.47 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1ud8 n LEU 352 CO 0.38 0.20 0.14 0.35 -1.33 0.00 0.00 177.39 177.12 1ud8 n THR 353 N -2.57 0.00 -2.97 -5.08 -2.24 -0.48 -4.31 114.28 96.64 1ud8 n THR 353 Ca -0.15 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 1ud8 n THR 353 Cb 0.83 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 70.15 1ud8 n THR 353 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ud8 s ARG 354 N -1.97 3.56 0.21 -0.78 0.52 -1.25 -4.84 118.95 114.40 1ud8 s ARG 354 Ca 0.09 0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.42 1ud8 s ARG 354 Cb 0.11 -2.50 0.13 0.00 0.52 0.00 0.00 34.95 33.21 1ud8 s ARG 354 CO 0.44 -0.02 1.48 1.05 0.02 0.00 0.00 175.30 178.26 1ud8 h GLU 355 N 0.70 0.09 -7.54 3.54 4.11 -1.93 -3.47 114.58 110.09 1ud8 h GLU 355 Ca -0.48 -0.09 -0.46 0.00 0.07 0.00 0.00 59.36 58.41 1ud8 h GLU 355 Cb 1.20 0.02 0.13 0.00 0.50 0.00 0.00 28.75 30.61 1ud8 h GLU 355 CO 0.62 0.81 0.32 0.20 0.07 0.00 0.00 179.01 181.04 1ud8 s GLY 356 N -4.50 1.60 0.52 1.06 0.00 -1.26 -4.96 107.32 99.78 1ud8 s GLY 356 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1ud8 s GLY 356 CO 0.80 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 174.45 1ud8 n GLY 357 N -2.50 -2.78 3.22 0.20 0.00 -0.49 -4.79 105.19 98.04 1ud8 n GLY 357 Ca 0.08 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1ud8 n GLY 357 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ud8 s TYR 358 N -4.41 3.42 0.39 1.61 6.14 -0.56 -4.89 117.35 119.05 1ud8 s TYR 358 Ca 0.00 -1.85 -0.26 0.00 0.64 0.00 0.00 57.07 55.60 1ud8 s TYR 358 Cb 0.00 -3.39 -0.09 0.00 0.42 0.00 0.00 41.96 38.90 1ud8 s TYR 358 CO 0.00 -0.97 1.26 -1.25 0.64 0.00 0.00 175.55 175.23 1ud8 s PRO 359 N 1.36 4.04 -0.12 4.97 0.04 -1.26 -1.30 135.00 142.73 1ud8 s PRO 359 Ca 0.05 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1ud8 s PRO 359 Cb -0.26 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1ud8 s PRO 359 CO -0.00 -0.40 -0.11 1.21 0.04 0.00 0.00 177.00 177.73 1ud8 s ASN 360 N -0.82 2.40 0.03 6.66 2.47 0.31 -1.19 114.94 124.80 1ud8 s ASN 360 Ca 0.56 -0.39 -0.26 0.00 0.42 0.00 0.00 52.86 53.18 1ud8 s ASN 360 Cb -0.36 -1.01 -0.05 0.00 -1.45 0.00 0.00 41.25 38.38 1ud8 s ASN 360 CO 0.46 -0.07 0.82 -0.69 -3.72 0.00 0.00 177.10 173.91 1ud8 s VAL 361 N 1.48 4.76 -0.14 -5.21 1.01 0.22 -4.41 120.40 118.11 1ud8 s VAL 361 Ca 0.03 1.74 -0.19 0.00 0.00 0.00 0.00 61.98 63.56 1ud8 s VAL 361 Cb -0.13 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1ud8 s VAL 361 CO -0.08 0.31 0.54 0.12 0.00 0.00 0.00 175.10 176.00 1ud8 s PHE 362 N 0.23 3.46 0.18 5.22 5.36 -1.26 -1.39 117.98 129.79 1ud8 s PHE 362 Ca 0.42 0.92 -0.13 0.00 -0.96 0.00 0.00 56.93 57.17 1ud8 s PHE 362 Cb -0.21 -2.66 0.18 0.00 -0.34 0.00 0.00 43.02 40.00 1ud8 s PHE 362 CO 0.24 0.03 1.71 -0.92 -1.46 0.00 0.00 175.22 174.83 1ud8 h TYR 363 N 7.04 0.14 -0.77 10.12 5.03 -1.64 -0.90 116.97 135.99 1ud8 h TYR 363 Ca -0.38 0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.17 1ud8 h TYR 363 Cb 1.17 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.42 1ud8 h TYR 363 CO 0.66 -0.01 0.54 0.78 -1.32 0.00 0.00 178.16 178.81 1ud8 h GLY 364 N 0.22 0.22 0.29 1.82 0.00 -1.83 -0.85 103.07 102.94 1ud8 h GLY 364 Ca 0.24 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 1ud8 h GLY 364 CO -0.32 0.00 -0.80 -0.55 0.00 0.00 0.00 176.54 174.87 1ud8 h ASP 365 N 0.11 0.20 0.07 0.19 3.32 -1.51 -0.97 116.42 117.83 1ud8 h ASP 365 Ca 0.38 -0.85 0.02 0.00 0.02 0.00 0.00 57.03 56.59 1ud8 h ASP 365 Cb 1.33 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1ud8 h ASP 365 CO -0.04 1.35 -0.19 0.22 -1.72 0.00 0.00 179.24 178.85 1ud8 h TYR 366 N -0.68 -0.51 -0.00 4.55 3.20 -0.58 0.65 116.97 123.59 1ud8 h TYR 366 Ca -0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1ud8 h TYR 366 Cb 1.40 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.88 1ud8 h TYR 366 CO 0.19 -0.28 -0.70 0.66 -1.64 0.00 0.00 178.16 176.39 1ud8 n TYR 367 N -5.32 0.00 0.00 -3.82 4.01 -0.39 -1.70 117.16 109.94 1ud8 n TYR 367 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1ud8 n TYR 367 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1ud8 n TYR 367 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ud8 n GLY 368 N 1.37 0.35 3.02 2.72 0.00 -0.38 -4.23 105.19 108.04 1ud8 n GLY 368 Ca 0.05 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1ud8 n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud8 s ILE 369 N -2.98 3.64 0.29 -0.61 1.01 -0.40 -4.67 121.20 117.49 1ud8 s ILE 369 Ca 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 60.65 56.75 1ud8 s ILE 369 Cb 0.00 -3.32 0.30 0.00 0.01 0.00 0.00 42.46 39.45 1ud8 s ILE 369 CO 0.00 -1.02 1.66 -0.65 0.00 0.00 0.00 174.94 174.93 1ud8 h PRO 370 N 5.87 0.27 -0.86 2.79 0.11 -1.90 -0.34 132.00 137.95 1ud8 h PRO 370 Ca 0.13 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.44 1ud8 h PRO 370 Cb 0.80 -0.06 -0.14 0.00 0.11 0.00 0.00 31.00 31.72 1ud8 h PRO 370 CO 0.78 0.18 0.23 -0.97 -0.21 0.00 0.00 178.00 178.01 1ud8 h ASN 371 N 0.28 0.02 -0.45 -2.05 -1.24 -1.92 -0.70 115.58 109.51 1ud8 h ASN 371 Ca 0.57 0.19 -0.05 0.00 0.71 0.00 0.00 56.30 57.71 1ud8 h ASN 371 Cb 1.14 0.25 -0.03 0.00 0.73 0.00 0.00 38.32 40.41 1ud8 h ASN 371 CO -0.61 -0.13 0.04 0.47 -1.29 0.00 0.00 177.43 175.92 1ud8 n ASP 372 N -5.20 4.58 -2.85 1.15 8.00 -0.20 -4.94 116.55 117.09 1ud8 n ASP 372 Ca 0.20 -3.08 -0.22 0.00 0.71 0.00 0.00 54.79 52.40 1ud8 n ASP 372 Cb 0.64 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 41.13 1ud8 n ASP 372 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ud8 n ASN 373 N -0.12 -5.89 -4.56 -2.24 5.03 -0.27 -4.95 115.26 102.26 1ud8 n ASN 373 Ca 0.28 -0.20 -0.41 0.00 0.87 0.00 0.00 54.58 55.12 1ud8 n ASN 373 Cb 1.09 -4.81 -0.08 0.00 -1.02 0.00 0.00 39.78 34.96 1ud8 n ASN 373 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ud8 s ILE 374 N -3.11 5.08 0.55 2.41 1.01 -0.82 -5.00 121.20 121.32 1ud8 s ILE 374 Ca 0.21 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 1ud8 s ILE 374 Cb -0.10 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1ud8 s ILE 374 CO 0.27 -0.12 1.21 -0.94 0.00 0.00 0.00 174.94 175.35 1ud8 s SER 375 N 1.73 5.47 -0.02 3.58 1.04 -1.26 -1.27 113.70 122.97 1ud8 s SER 375 Ca 0.16 2.39 -0.30 0.00 0.48 0.00 0.00 55.95 58.68 1ud8 s SER 375 Cb -0.16 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.31 1ud8 s SER 375 CO 0.12 -1.40 1.47 0.00 0.98 0.00 0.00 173.24 174.41 1ud8 s ALA 376 N -1.57 3.61 -1.21 5.32 0.00 -1.26 -4.38 121.76 122.27 1ud8 s ALA 376 Ca 0.73 0.89 0.13 0.00 0.00 0.00 0.00 51.96 53.72 1ud8 s ALA 376 Cb -0.30 -3.64 0.54 0.00 0.00 0.00 0.00 23.12 19.71 1ud8 s ALA 376 CO 0.34 -1.05 1.40 1.63 0.00 0.00 0.00 175.76 178.08 1ud8 n LYS 377 N 5.85 3.06 -0.37 0.00 4.76 0.23 -4.64 118.16 127.05 1ud8 n LYS 377 Ca 0.14 -2.11 0.03 0.00 -2.87 0.00 0.00 58.31 53.50 1ud8 n LYS 377 Cb 0.43 -1.75 0.09 0.00 -1.84 0.00 0.00 35.03 31.97 1ud8 n LYS 377 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1ud8 n LYS 378 N 0.76 -0.15 -0.03 1.97 4.81 -0.69 -1.60 118.16 123.22 1ud8 n LYS 378 Ca 0.19 1.53 -0.08 0.00 -0.87 0.00 0.00 58.31 59.07 1ud8 n LYS 378 Cb 0.70 -2.28 -0.02 0.00 0.02 0.00 0.00 35.03 33.45 1ud8 n LYS 378 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1ud8 h ASP 379 N 0.00 -0.44 -0.55 3.14 3.45 -1.88 0.10 116.42 120.25 1ud8 h ASP 379 Ca 0.41 0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.92 1ud8 h ASP 379 Cb 0.66 0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.63 1ud8 h ASP 379 CO -1.00 -0.18 0.19 -0.03 -1.57 0.00 0.00 179.24 176.66 1ud8 h MET 380 N -0.14 0.88 0.06 3.56 4.05 -1.67 -3.10 114.93 118.57 1ud8 h MET 380 Ca 0.11 -0.16 -0.24 0.00 -0.28 0.00 0.00 59.70 59.13 1ud8 h MET 380 Cb 0.30 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1ud8 h MET 380 CO -0.27 0.75 -1.07 0.82 0.23 0.00 0.00 176.91 177.37 1ud8 h ILE 381 N 0.86 1.50 -0.52 1.77 2.04 -0.99 -3.24 117.51 118.93 1ud8 h ILE 381 Ca 0.20 -2.88 -0.02 0.00 1.00 0.00 0.00 64.86 63.15 1ud8 h ILE 381 Cb 0.23 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1ud8 h ILE 381 CO -0.01 0.84 0.24 0.44 0.00 0.00 0.00 178.15 179.66 1ud8 h ASP 382 N 0.10 0.70 -0.79 1.72 3.32 -0.75 0.15 116.42 120.87 1ud8 h ASP 382 Ca -0.09 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 56.86 1ud8 h ASP 382 Cb 1.77 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 41.09 1ud8 h ASP 382 CO 0.17 0.65 0.52 -0.33 -1.72 0.00 0.00 179.24 178.53 1ud8 h GLU 383 N 0.70 0.89 -0.00 3.56 5.08 -1.63 0.41 114.58 123.59 1ud8 h GLU 383 Ca 0.18 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 1ud8 h GLU 383 Cb 0.15 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ud8 h GLU 383 CO -0.02 0.59 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.70 1ud8 h LEU 384 N 0.92 0.13 -0.80 1.33 3.38 -1.46 -0.77 115.31 118.05 1ud8 h LEU 384 Ca 0.33 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 1ud8 h LEU 384 Cb 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ud8 h LEU 384 CO -0.11 0.88 -0.39 -0.07 0.09 0.00 0.00 178.44 178.85 1ud8 h LEU 385 N 0.06 0.46 -0.34 1.67 3.38 0.11 0.07 115.31 120.72 1ud8 h LEU 385 Ca -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1ud8 h LEU 385 Cb 1.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1ud8 h LEU 385 CO 0.12 0.81 0.10 -0.78 0.09 0.00 0.00 178.44 178.77 1ud8 h ASP 386 N 0.37 0.50 0.29 -0.43 3.58 -0.05 0.23 116.42 120.92 1ud8 h ASP 386 Ca 0.04 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1ud8 h ASP 386 Cb 0.85 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 1ud8 h ASP 386 CO 0.07 0.58 -0.47 0.00 -2.88 0.00 0.00 179.24 176.54 1ud8 h ALA 387 N 0.94 -0.95 -0.87 -0.78 0.00 -0.57 0.15 119.26 117.18 1ud8 h ALA 387 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ud8 h ALA 387 Cb 0.26 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1ud8 h ALA 387 CO -0.00 -1.09 0.45 -0.09 0.00 0.00 0.00 179.25 178.52 1ud8 h ARG 388 N -0.82 1.23 -0.30 0.00 2.43 -0.88 0.60 114.38 116.63 1ud8 h ARG 388 Ca -0.02 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1ud8 h ARG 388 Cb 0.77 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1ud8 h ARG 388 CO -0.17 0.92 -0.42 0.37 -1.51 0.00 0.00 179.97 179.16 1ud8 h GLN 389 N 1.22 0.74 0.00 0.20 4.15 -0.30 -3.36 115.11 117.76 1ud8 h GLN 389 Ca 0.30 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1ud8 h GLN 389 Cb 0.07 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1ud8 h GLN 389 CO -0.04 1.02 -0.24 0.09 -1.93 0.00 0.00 178.83 177.72 1ud8 n ASN 390 N -4.03 0.63 0.00 -0.69 3.02 0.02 -4.72 115.26 109.49 1ud8 n ASN 390 Ca -0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1ud8 n ASN 390 Cb 0.55 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 1ud8 n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ud8 n TYR 391 N -1.12 0.00 -1.38 3.10 4.01 0.19 -4.07 117.16 117.89 1ud8 n TYR 391 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1ud8 n TYR 391 Cb 0.04 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.00 1ud8 n TYR 391 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ud8 n ALA 392 N -2.27 2.18 -2.30 -0.72 0.00 0.11 0.28 120.51 117.79 1ud8 n ALA 392 Ca 0.00 -3.03 -0.17 0.00 0.00 0.00 0.00 53.44 50.24 1ud8 n ALA 392 Cb 0.40 -3.58 -0.10 0.00 0.00 0.00 0.00 19.45 16.17 1ud8 n ALA 392 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ud8 s TYR 393 N 8.31 1.51 0.25 0.00 2.02 -1.26 -4.94 117.35 123.24 1ud8 s TYR 393 Ca 0.65 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 1ud8 s TYR 393 Cb 0.08 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 1ud8 s TYR 393 CO 0.17 -0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 1ud8 n GLY 394 N -0.49 -2.08 3.52 0.71 0.00 -1.25 -1.57 105.19 104.02 1ud8 n GLY 394 Ca 0.01 -1.28 -0.51 0.00 0.00 0.00 0.00 46.02 44.24 1ud8 n GLY 394 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ud8 n THR 395 N -3.32 0.89 -4.03 2.61 -1.04 -1.26 -4.35 114.28 103.78 1ud8 n THR 395 Ca -0.01 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.05 61.53 1ud8 n THR 395 Cb 0.40 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.44 1ud8 n THR 395 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ud8 s GLN 396 N -0.41 3.16 -0.11 -2.82 0.74 -1.26 -0.75 119.66 118.21 1ud8 s GLN 396 Ca 0.76 -0.81 -0.04 0.00 0.05 0.00 0.00 55.36 55.33 1ud8 s GLN 396 Cb -0.99 -2.77 0.06 0.00 1.10 0.00 0.00 33.01 30.41 1ud8 s GLN 396 CO 0.54 0.47 0.19 -1.01 -0.55 0.00 0.00 175.29 174.94 1ud8 s HIS 397 N -1.86 -0.25 0.24 1.67 3.76 0.04 -4.96 115.29 113.94 1ud8 s HIS 397 Ca 0.33 0.66 0.02 0.00 -0.15 0.00 0.00 55.06 55.91 1ud8 s HIS 397 Cb -0.10 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 1ud8 s HIS 397 CO 0.26 -0.33 0.41 -0.51 -0.85 0.00 0.00 174.74 173.72 1ud8 s ASP 398 N 2.33 6.34 -0.37 1.40 1.01 -1.26 -0.06 116.67 126.06 1ud8 s ASP 398 Ca 0.03 0.29 0.13 0.00 0.71 0.00 0.00 52.55 53.71 1ud8 s ASP 398 Cb -0.12 -1.96 0.39 0.00 1.01 0.00 0.00 42.92 42.24 1ud8 s ASP 398 CO -0.07 -0.10 0.94 -1.22 0.21 0.00 0.00 175.17 174.93 1ud8 n TYR 399 N -1.15 -0.22 -1.45 4.23 4.02 0.40 -4.93 117.16 118.05 1ud8 n TYR 399 Ca -0.06 -2.97 -0.34 0.00 -0.01 0.00 0.00 57.90 54.52 1ud8 n TYR 399 Cb 0.55 0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.96 1ud8 n TYR 399 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1ud8 n PHE 400 N 0.05 1.98 0.02 -0.72 3.01 -1.26 -3.00 117.46 117.54 1ud8 n PHE 400 Ca 0.13 -2.66 0.04 0.00 1.01 0.00 0.00 57.45 55.97 1ud8 n PHE 400 Cb 0.75 -2.08 -0.10 0.00 -0.01 0.00 0.00 39.48 38.04 1ud8 n PHE 400 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ud8 n ASP 401 N 2.70 0.51 -4.62 4.37 5.68 -1.26 -4.71 116.55 119.22 1ud8 n ASP 401 Ca 0.66 0.21 -0.24 0.00 -0.50 0.00 0.00 54.79 54.93 1ud8 n ASP 401 Cb 0.38 0.83 -0.08 0.00 -1.14 0.00 0.00 41.12 41.11 1ud8 n ASP 401 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1ud8 s HIS 402 N -3.12 2.68 -1.06 2.11 5.04 -1.24 -5.04 115.29 114.66 1ud8 s HIS 402 Ca -0.05 -0.22 0.28 0.00 -1.54 0.00 0.00 55.06 53.54 1ud8 s HIS 402 Cb 0.10 -1.22 1.25 0.00 0.04 0.00 0.00 32.58 32.75 1ud8 s HIS 402 CO 0.84 0.60 1.92 -2.67 -2.34 0.00 0.00 174.74 173.08 1ud8 n TRP 403 N -0.63 0.00 0.03 3.88 2.14 -1.26 -4.02 117.44 117.58 1ud8 n TRP 403 Ca -0.07 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.50 1ud8 n TRP 403 Cb 0.58 -0.47 0.00 0.00 -0.81 0.00 0.00 31.31 30.61 1ud8 n TRP 403 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1ud8 n ASP 404 N -1.47 0.57 -4.69 -0.67 8.00 -1.26 -1.14 116.55 115.88 1ud8 n ASP 404 Ca 0.08 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 1ud8 n ASP 404 Cb 0.32 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1ud8 n ASP 404 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ud8 s VAL 405 N -1.54 4.90 0.09 2.53 1.01 -1.26 -3.26 120.40 122.88 1ud8 s VAL 405 Ca 0.00 1.73 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 1ud8 s VAL 405 Cb 0.00 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1ud8 s VAL 405 CO 0.00 0.10 0.23 0.68 0.00 0.00 0.00 175.10 176.12 1ud8 s VAL 406 N 1.60 0.12 0.04 2.92 -7.23 -0.60 -3.59 120.40 113.66 1ud8 s VAL 406 Ca 0.42 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.53 1ud8 s VAL 406 Cb -0.18 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.52 1ud8 s VAL 406 CO 0.17 -0.56 0.21 0.61 -0.31 0.00 0.00 175.10 175.22 1ud8 n GLY 407 N 0.00 1.19 3.69 2.32 0.00 -1.16 -1.88 105.19 109.35 1ud8 n GLY 407 Ca -0.16 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 1ud8 n GLY 407 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ud8 s TRP 408 N -5.32 -0.23 0.07 1.61 -2.14 -0.12 -0.45 118.94 112.35 1ud8 s TRP 408 Ca 0.05 -0.07 -0.02 0.00 2.66 0.00 0.00 56.10 58.71 1ud8 s TRP 408 Cb -0.01 0.63 -0.03 0.00 -3.10 0.00 0.00 33.47 30.96 1ud8 s TRP 408 CO 0.01 -0.87 0.02 0.95 -2.66 0.00 0.00 176.95 174.40 1ud8 s THR 409 N -3.44 0.19 -0.11 0.66 -4.23 0.92 -0.20 115.64 109.43 1ud8 s THR 409 Ca 0.09 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1ud8 s THR 409 Cb -0.02 -1.56 0.04 0.00 1.34 0.00 0.00 72.50 72.30 1ud8 s THR 409 CO -0.01 -0.88 0.01 -0.13 -0.54 0.00 0.00 174.62 173.07 1ud8 s ARG 410 N -3.93 0.68 0.65 3.99 1.81 0.55 -0.78 118.95 121.93 1ud8 s ARG 410 Ca 0.09 -0.06 0.43 0.00 -1.72 0.00 0.00 55.73 54.47 1ud8 s ARG 410 Cb 0.07 -1.33 2.30 0.00 -0.45 0.00 0.00 34.95 35.54 1ud8 s ARG 410 CO -0.09 -0.39 2.33 0.93 -0.68 0.00 0.00 175.30 177.40 1ud8 h GLU 411 N 8.30 0.00 0.00 3.54 5.08 -1.05 0.67 114.58 131.12 1ud8 h GLU 411 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ud8 h GLU 411 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ud8 h GLU 411 CO 0.29 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 1ud8 n GLY 412 N -0.94 -0.16 3.28 -3.84 0.00 -0.61 -4.50 105.19 98.41 1ud8 n GLY 412 Ca -0.03 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1ud8 n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud8 s SER 413 N -2.20 2.76 0.65 1.61 1.04 -1.26 -3.95 113.70 112.36 1ud8 s SER 413 Ca 0.00 -0.48 0.42 0.00 0.48 0.00 0.00 55.95 56.37 1ud8 s SER 413 Cb 0.00 -0.28 2.30 0.00 0.10 0.00 0.00 66.02 68.14 1ud8 s SER 413 CO 0.00 0.25 2.34 0.77 0.98 0.00 0.00 173.24 177.59 1ud8 h SER 414 N 5.26 0.00 0.57 7.02 4.64 -2.00 -0.57 113.55 128.47 1ud8 h SER 414 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ud8 h SER 414 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ud8 h SER 414 CO 0.46 0.00 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.82 1ud8 n SER 415 N -3.22 0.17 -3.56 4.97 3.41 -1.26 -4.62 113.62 109.51 1ud8 n SER 415 Ca -0.03 -0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.12 1ud8 n SER 415 Cb 0.08 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1ud8 n SER 415 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ud8 s ARG 416 N -2.64 0.23 0.04 4.33 3.52 -0.22 -5.13 118.95 119.08 1ud8 s ARG 416 Ca 0.25 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 55.08 1ud8 s ARG 416 Cb 0.20 -1.24 -0.11 0.00 -1.56 0.00 0.00 34.95 32.24 1ud8 s ARG 416 CO 0.49 -1.01 0.53 -2.30 -0.81 0.00 0.00 175.30 172.20 1ud8 n PRO 417 N 5.22 0.00 -0.74 5.12 -0.02 -1.26 -1.90 135.00 141.41 1ud8 n PRO 417 Ca -0.06 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.40 1ud8 n PRO 417 Cb 0.42 -0.79 -0.01 0.00 -0.02 0.00 0.00 33.50 33.10 1ud8 n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ud8 n ASN 418 N 0.98 -1.09 -3.06 2.55 4.13 -1.26 -4.91 115.26 112.59 1ud8 n ASN 418 Ca 0.11 0.06 -0.08 0.00 1.68 0.00 0.00 54.58 56.36 1ud8 n ASN 418 Cb 0.08 -1.23 0.08 0.00 -1.54 0.00 0.00 39.78 37.17 1ud8 n ASN 418 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ud8 n SER 419 N 1.23 -2.51 0.00 6.41 3.41 -0.80 -4.37 113.62 117.00 1ud8 n SER 419 Ca -0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1ud8 n SER 419 Cb 0.12 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1ud8 n SER 419 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ud8 n GLY 420 N -1.45 1.48 3.71 5.00 0.00 0.14 -4.65 105.19 109.43 1ud8 n GLY 420 Ca 0.04 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 1ud8 n GLY 420 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ud8 s LEU 421 N -0.11 -0.02 -0.14 0.99 0.05 0.23 -4.22 118.68 115.45 1ud8 s LEU 421 Ca 0.00 -0.68 -0.04 0.00 0.05 0.00 0.00 54.13 53.46 1ud8 s LEU 421 Cb 0.00 2.32 0.06 0.00 -2.05 0.00 0.00 46.19 46.52 1ud8 s LEU 421 CO 0.00 -1.23 0.14 0.00 -0.55 0.00 0.00 176.35 174.71 1ud8 s ALA 422 N -3.94 0.06 -0.16 1.48 0.00 -0.40 -0.33 121.76 118.48 1ud8 s ALA 422 Ca 0.14 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.11 1ud8 s ALA 422 Cb -0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1ud8 s ALA 422 CO 0.06 -0.93 0.27 0.99 0.00 0.00 0.00 175.76 176.15 1ud8 s THR 423 N 2.23 5.31 0.02 0.00 2.01 0.72 -1.50 115.64 124.45 1ud8 s THR 423 Ca 0.04 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.57 1ud8 s THR 423 Cb -0.14 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1ud8 s THR 423 CO -0.08 0.41 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.68 1ud8 s ILE 424 N 0.34 0.49 0.14 1.82 1.10 -0.54 -0.95 121.20 123.61 1ud8 s ILE 424 Ca 0.16 -0.72 -0.25 0.00 -0.51 0.00 0.00 60.65 59.33 1ud8 s ILE 424 Cb -0.13 -0.50 0.07 0.00 0.15 0.00 0.00 42.46 42.05 1ud8 s ILE 424 CO 0.04 -0.17 0.81 0.00 -2.11 0.00 0.00 174.94 173.50 1ud8 s MET 425 N -0.97 1.25 -0.16 3.50 0.23 -0.78 -0.54 119.30 121.82 1ud8 s MET 425 Ca -0.05 -0.60 -0.12 0.00 -1.03 0.00 0.00 55.69 53.90 1ud8 s MET 425 Cb -0.07 0.49 0.05 0.00 -1.53 0.00 0.00 34.83 33.77 1ud8 s MET 425 CO 0.00 -0.56 0.42 0.45 -2.03 0.00 0.00 175.02 173.30 1ud8 s SER 426 N -2.77 -0.48 0.00 -1.18 0.15 -0.74 -1.56 113.70 107.11 1ud8 s SER 426 Ca 0.08 0.88 0.22 0.00 0.70 0.00 0.00 55.95 57.82 1ud8 s SER 426 Cb -0.02 0.82 0.54 0.00 -1.71 0.00 0.00 66.02 65.65 1ud8 s SER 426 CO -0.03 -0.17 1.45 -0.46 1.20 0.00 0.00 173.24 175.23 1ud8 n ASN 427 N 3.57 2.73 -0.07 5.45 6.94 -1.20 -1.60 115.26 131.08 1ud8 n ASN 427 Ca -0.18 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 1ud8 n ASN 427 Cb 0.56 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 1ud8 n ASN 427 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ud8 n GLY 428 N 1.35 5.10 3.55 4.83 0.00 -1.26 -3.82 105.19 114.93 1ud8 n GLY 428 Ca 0.18 -1.44 -0.55 0.00 0.00 0.00 0.00 46.02 44.21 1ud8 n GLY 428 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ud8 n PRO 429 N 0.00 0.66 -0.25 1.61 -0.02 -1.26 -1.72 135.00 134.01 1ud8 n PRO 429 Ca 0.00 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.50 1ud8 n PRO 429 Cb 0.00 -1.81 0.21 0.00 -0.02 0.00 0.00 33.50 31.88 1ud8 n PRO 429 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ud8 n GLY 430 N 2.08 -3.34 0.00 -1.23 0.00 -1.25 -4.73 105.19 96.71 1ud8 n GLY 430 Ca 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1ud8 n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ud8 n GLY 431 N -3.79 -0.76 3.24 -0.02 0.00 0.70 -4.82 105.19 99.75 1ud8 n GLY 431 Ca 0.10 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1ud8 n GLY 431 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud8 s SER 432 N -4.00 0.17 -0.21 1.61 1.04 -1.26 -0.27 113.70 110.78 1ud8 s SER 432 Ca 0.00 -1.15 -0.16 0.00 0.48 0.00 0.00 55.95 55.11 1ud8 s SER 432 Cb 0.00 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1ud8 s SER 432 CO 0.00 -0.83 0.54 -0.75 0.98 0.00 0.00 173.24 173.18 1ud8 s LYS 433 N -4.06 0.60 -0.36 4.02 2.20 -0.17 -4.97 119.74 117.00 1ud8 s LYS 433 Ca 0.26 0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 56.46 1ud8 s LYS 433 Cb 0.06 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1ud8 s LYS 433 CO 0.05 -0.11 0.93 -1.58 -0.36 0.00 0.00 175.35 174.28 1ud8 s TRP 434 N 0.77 3.09 0.06 4.03 0.52 -1.26 -2.01 118.94 124.14 1ud8 s TRP 434 Ca -0.04 0.81 0.07 0.00 0.02 0.00 0.00 56.10 56.96 1ud8 s TRP 434 Cb -0.05 -3.64 -0.03 0.00 -1.15 0.00 0.00 33.47 28.61 1ud8 s TRP 434 CO -0.06 -0.81 -0.18 -1.64 0.02 0.00 0.00 176.95 174.28 1ud8 s MET 435 N 3.47 1.13 0.37 4.98 -1.94 -0.89 -4.99 119.30 121.43 1ud8 s MET 435 Ca 0.39 -0.93 -0.22 0.00 -1.71 0.00 0.00 55.69 53.21 1ud8 s MET 435 Cb -0.12 -1.23 -0.10 0.00 2.01 0.00 0.00 34.83 35.38 1ud8 s MET 435 CO 0.18 0.30 0.91 -0.47 -0.01 0.00 0.00 175.02 175.93 1ud8 s TYR 436 N -0.94 3.46 0.00 -0.03 5.04 -1.26 -2.83 117.35 120.78 1ud8 s TYR 436 Ca 0.04 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 1ud8 s TYR 436 Cb -0.09 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.40 1ud8 s TYR 436 CO 0.02 0.04 0.49 1.33 -1.34 0.00 0.00 175.55 176.10 1ud8 n VAL 437 N -0.14 0.00 0.00 3.14 0.24 -0.33 -4.75 118.33 116.49 1ud8 n VAL 437 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1ud8 n VAL 437 Cb 0.52 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1ud8 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ud8 n GLY 438 N 0.00 1.33 0.12 7.63 0.00 -1.23 -4.24 105.19 108.80 1ud8 n GLY 438 Ca 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 45.02 1ud8 n GLY 438 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ud8 n ARG 439 N 2.47 0.08 0.00 1.61 0.63 -1.26 -0.80 116.66 119.40 1ud8 n ARG 439 Ca 0.00 0.54 0.14 0.00 -0.92 0.00 0.00 57.85 57.62 1ud8 n ARG 439 Cb 0.00 -1.92 0.66 0.00 0.45 0.00 0.00 32.46 31.65 1ud8 n ARG 439 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ud8 n GLN 440 N -1.94 0.26 -0.55 -0.14 0.00 -1.26 -3.21 117.38 110.53 1ud8 n GLN 440 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 57.00 57.04 1ud8 n GLN 440 Cb 0.17 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.19 1ud8 n GLN 440 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ud8 n ASN 441 N -1.35 4.09 -4.76 2.61 3.02 0.02 -5.01 115.26 113.89 1ud8 n ASN 441 Ca 0.11 -3.07 -0.38 0.00 -0.03 0.00 0.00 54.58 51.21 1ud8 n ASN 441 Cb 0.29 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1ud8 n ASN 441 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud8 s ALA 442 N -2.86 2.95 0.00 5.41 0.00 -1.20 -2.56 121.76 123.50 1ud8 s ALA 442 Ca 0.45 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1ud8 s ALA 442 Cb 0.36 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1ud8 s ALA 442 CO 0.09 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1ud8 n GLY 443 N 0.61 2.21 3.82 0.00 0.00 0.47 -4.95 105.19 107.35 1ud8 n GLY 443 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ud8 n GLY 443 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ud8 s GLN 444 N -0.30 3.87 -0.22 1.61 -0.21 -1.06 -4.76 119.66 118.60 1ud8 s GLN 444 Ca 0.00 1.11 -0.00 0.00 0.02 0.00 0.00 55.36 56.49 1ud8 s GLN 444 Cb 0.00 -2.12 0.03 0.00 1.00 0.00 0.00 33.01 31.92 1ud8 s GLN 444 CO 0.00 -0.34 -0.12 0.99 -2.12 0.00 0.00 175.29 173.70 1ud8 s THR 445 N -2.38 2.50 -0.05 -0.19 2.01 -1.26 -0.30 115.64 115.96 1ud8 s THR 445 Ca 0.62 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1ud8 s THR 445 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1ud8 s THR 445 CO 0.26 0.30 0.12 0.26 -0.69 0.00 0.00 174.62 174.87 1ud8 s TRP 446 N 1.29 3.45 0.13 4.92 0.52 0.20 -4.49 118.94 124.96 1ud8 s TRP 446 Ca 0.01 0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.53 1ud8 s TRP 446 Cb -0.16 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1ud8 s TRP 446 CO -0.08 0.63 -0.12 0.95 0.02 0.00 0.00 176.95 178.36 1ud8 s THR 447 N -1.14 1.17 -0.42 2.01 -4.23 -0.96 -1.70 115.64 110.37 1ud8 s THR 447 Ca 0.21 -1.83 -0.28 0.00 -1.18 0.00 0.00 61.69 58.60 1ud8 s THR 447 Cb -0.12 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1ud8 s THR 447 CO 0.11 -0.58 1.51 -0.62 -0.54 0.00 0.00 174.62 174.50 1ud8 s ASP 448 N -2.72 6.18 0.59 3.99 -1.08 -1.26 -1.69 116.67 120.68 1ud8 s ASP 448 Ca 0.11 0.84 0.29 0.00 -0.52 0.00 0.00 52.55 53.27 1ud8 s ASP 448 Cb -0.02 -2.54 1.79 0.00 -1.46 0.00 0.00 42.92 40.70 1ud8 s ASP 448 CO 0.01 -1.55 2.24 -0.07 0.52 0.00 0.00 175.17 176.32 1ud8 h LEU 449 N 12.75 0.00 0.00 -1.34 3.38 -1.63 -2.28 115.31 126.18 1ud8 h LEU 449 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1ud8 h LEU 449 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1ud8 h LEU 449 CO 1.09 0.00 -0.97 0.71 0.09 0.00 0.00 178.44 179.36 1ud8 h THR 450 N 0.00 0.23 -0.12 0.22 1.35 -1.90 -3.47 112.91 109.21 1ud8 h THR 450 Ca 0.01 -1.41 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 1ud8 h THR 450 Cb 0.04 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1ud8 h THR 450 CO -0.00 0.13 -0.03 0.61 -0.25 0.00 0.00 175.52 175.98 1ud8 n GLY 451 N 1.24 0.41 0.85 5.82 0.00 -0.86 -4.92 105.19 107.73 1ud8 n GLY 451 Ca -0.02 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.18 1ud8 n GLY 451 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ud8 n ASN 452 N 1.76 2.61 -3.65 1.61 3.02 -1.26 -4.82 115.26 114.52 1ud8 n ASN 452 Ca -0.01 -1.85 -0.04 0.00 -0.03 0.00 0.00 54.58 52.65 1ud8 n ASN 452 Cb 0.25 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1ud8 n ASN 452 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ud8 s ASN 453 N -1.80 -0.91 0.00 6.41 3.84 -1.26 -4.61 114.94 116.61 1ud8 s ASN 453 Ca 0.34 1.42 0.32 0.00 0.21 0.00 0.00 52.86 55.14 1ud8 s ASN 453 Cb 0.21 1.94 1.85 0.00 -0.55 0.00 0.00 41.25 44.70 1ud8 s ASN 453 CO 0.31 -0.22 2.20 0.61 -2.79 0.00 0.00 177.10 177.21 1ud8 n GLY 454 N 5.27 -1.04 3.53 1.21 0.00 -1.26 -4.31 105.19 108.59 1ud8 n GLY 454 Ca -0.13 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1ud8 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud8 n ALA 455 N -1.04 -0.64 -3.82 4.61 0.00 -1.26 -4.94 120.51 113.41 1ud8 n ALA 455 Ca 0.23 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1ud8 n ALA 455 Cb 0.13 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.51 1ud8 n ALA 455 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ud8 s SER 456 N -0.89 4.06 -0.06 0.00 0.15 -1.26 -4.41 113.70 111.28 1ud8 s SER 456 Ca 0.64 -2.47 -0.29 0.00 0.70 0.00 0.00 55.95 54.53 1ud8 s SER 456 Cb -0.57 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 1ud8 s SER 456 CO 0.56 -0.30 0.97 -0.69 1.20 0.00 0.00 173.24 174.98 1ud8 s VAL 457 N 0.51 4.84 -0.14 4.45 1.01 -0.69 -4.86 120.40 125.52 1ud8 s VAL 457 Ca 0.15 2.00 -0.04 0.00 0.00 0.00 0.00 61.98 64.09 1ud8 s VAL 457 Cb -0.23 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1ud8 s VAL 457 CO -0.05 0.09 0.00 -0.89 0.00 0.00 0.00 175.10 174.24 1ud8 s THR 458 N 1.52 4.29 -0.21 3.92 2.01 -1.26 0.61 115.64 126.53 1ud8 s THR 458 Ca 0.49 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1ud8 s THR 458 Cb -0.19 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1ud8 s THR 458 CO 0.22 0.52 1.03 -0.63 -0.69 0.00 0.00 174.62 175.07 1ud8 s ILE 459 N -0.00 4.70 0.68 1.82 -1.09 0.59 -4.63 121.20 123.27 1ud8 s ILE 459 Ca 0.03 2.02 -0.11 0.00 -2.23 0.00 0.00 60.65 60.36 1ud8 s ILE 459 Cb -0.13 -4.31 0.17 0.00 -1.58 0.00 0.00 42.46 36.61 1ud8 s ILE 459 CO 0.02 -0.14 0.67 -0.46 -1.23 0.00 0.00 174.94 173.80 1ud8 n ASN 460 N 6.06 -1.24 0.26 3.58 0.23 0.72 0.18 115.26 125.04 1ud8 n ASN 460 Ca 0.11 -0.98 0.11 0.00 -0.53 0.00 0.00 54.58 53.29 1ud8 n ASN 460 Cb 0.47 -0.59 0.70 0.00 -2.08 0.00 0.00 39.78 38.27 1ud8 n ASN 460 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ud8 h GLY 461 N -1.61 0.00 -0.42 4.83 0.00 -1.95 -2.16 103.07 101.77 1ud8 h GLY 461 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ud8 h GLY 461 CO 0.16 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.92 1ud8 n ASP 462 N -3.80 1.32 0.00 0.19 8.00 -1.26 -4.89 116.55 116.11 1ud8 n ASP 462 Ca -0.02 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1ud8 n ASP 462 Cb 0.23 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1ud8 n ASP 462 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud8 n GLY 463 N 1.10 0.49 3.70 0.44 0.00 -0.81 -4.23 105.19 105.89 1ud8 n GLY 463 Ca 0.18 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1ud8 n GLY 463 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ud8 s TRP 464 N -2.00 3.03 -0.02 1.61 0.52 -1.26 -1.19 118.94 119.63 1ud8 s TRP 464 Ca 0.00 -0.00 -0.16 0.00 0.02 0.00 0.00 56.10 55.95 1ud8 s TRP 464 Cb 0.00 -1.56 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1ud8 s TRP 464 CO 0.00 0.49 0.35 0.20 0.02 0.00 0.00 176.95 178.00 1ud8 s GLY 465 N -2.30 -0.19 -0.26 0.98 0.00 -1.13 -0.20 107.32 104.22 1ud8 s GLY 465 Ca 0.26 0.43 -0.08 0.00 0.00 0.00 0.00 44.72 45.33 1ud8 s GLY 465 CO 0.19 0.20 0.10 1.85 0.00 0.00 0.00 173.10 175.44 1ud8 s GLU 466 N -1.30 3.72 -0.04 2.90 2.12 -1.26 -2.10 118.70 122.74 1ud8 s GLU 466 Ca -0.13 -0.44 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 1ud8 s GLU 466 Cb -0.05 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1ud8 s GLU 466 CO 0.05 -0.19 0.01 -0.06 -0.54 0.00 0.00 175.26 174.53 1ud8 s PHE 467 N 1.65 3.14 0.28 5.30 0.08 -0.85 -4.78 117.98 122.80 1ud8 s PHE 467 Ca 0.06 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.35 1ud8 s PHE 467 Cb -0.15 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1ud8 s PHE 467 CO 0.05 0.48 0.06 -0.06 -0.10 0.00 0.00 175.22 175.65 1ud8 s PHE 468 N -1.01 2.75 -0.17 0.36 0.40 -1.26 -1.00 117.98 118.04 1ud8 s PHE 468 Ca 0.17 -0.25 -0.22 0.00 -0.60 0.00 0.00 56.93 56.03 1ud8 s PHE 468 Cb -0.11 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.14 1ud8 s PHE 468 CO 0.07 0.54 0.59 -0.08 0.70 0.00 0.00 175.22 177.04 1ud8 s THR 469 N -2.33 0.01 0.83 0.64 -1.32 0.63 -4.76 115.64 109.33 1ud8 s THR 469 Ca 0.33 -0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1ud8 s THR 469 Cb -0.06 -0.85 0.18 0.00 -1.51 0.00 0.00 72.50 70.27 1ud8 s THR 469 CO 0.21 -0.02 1.13 0.59 -2.21 0.00 0.00 174.62 174.32 1ud8 n ASN 470 N 2.27 0.58 -4.76 8.08 3.02 -1.26 -0.21 115.26 122.97 1ud8 n ASN 470 Ca -0.15 -1.71 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 1ud8 n ASN 470 Cb 0.56 -0.82 0.02 0.00 -0.61 0.00 0.00 39.78 38.93 1ud8 n ASN 470 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ud8 s GLY 471 N -5.43 2.77 -1.09 7.41 0.00 -1.26 -3.56 107.32 106.17 1ud8 s GLY 471 Ca 0.68 1.04 -0.15 0.00 0.00 0.00 0.00 44.72 46.28 1ud8 s GLY 471 CO 0.47 1.47 0.28 0.61 0.00 0.00 0.00 173.10 175.93 1ud8 n GLY 472 N 0.50 -0.39 3.50 0.20 0.00 -0.63 -4.78 105.19 103.59 1ud8 n GLY 472 Ca 0.11 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 1ud8 n GLY 472 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ud8 s SER 473 N -3.96 0.85 -0.13 1.61 0.15 -0.65 -4.96 113.70 106.61 1ud8 s SER 473 Ca 0.21 -1.46 -0.10 0.00 0.70 0.00 0.00 55.95 55.30 1ud8 s SER 473 Cb -0.12 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1ud8 s SER 473 CO 0.78 -1.29 0.34 0.54 1.20 0.00 0.00 173.24 174.81 1ud8 s VAL 474 N -3.09 -0.01 0.13 4.45 0.11 -1.26 -1.78 120.40 118.95 1ud8 s VAL 474 Ca 0.30 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.47 1ud8 s VAL 474 Cb -0.00 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1ud8 s VAL 474 CO 0.20 0.02 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.35 1ud8 s SER 475 N 0.56 2.54 -0.35 3.54 0.01 0.29 -4.74 113.70 115.55 1ud8 s SER 475 Ca -0.03 -0.78 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 1ud8 s SER 475 Cb -0.05 -0.14 0.12 0.00 0.21 0.00 0.00 66.02 66.17 1ud8 s SER 475 CO -0.03 -0.01 0.18 -0.69 0.41 0.00 0.00 173.24 173.10 1ud8 s VAL 476 N -1.69 0.52 0.20 3.43 1.01 -1.26 -1.47 120.40 121.14 1ud8 s VAL 476 Ca 0.11 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 1ud8 s VAL 476 Cb -0.07 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 1ud8 s VAL 476 CO 0.05 -0.86 1.01 -0.31 0.00 0.00 0.00 175.10 175.00 1ud8 s TYR 477 N 1.23 3.78 0.13 5.22 1.51 -0.56 -1.49 117.35 127.16 1ud8 s TYR 477 Ca 0.14 1.77 -0.09 0.00 -1.01 0.00 0.00 57.07 57.89 1ud8 s TYR 477 Cb -0.21 -3.13 -0.00 0.00 -0.11 0.00 0.00 41.96 38.51 1ud8 s TYR 477 CO -0.12 -0.05 0.24 0.14 -1.11 0.00 0.00 175.55 174.66 1ud8 s VAL 478 N -0.67 0.10 -1.27 0.71 -7.23 -0.68 -1.27 120.40 110.09 1ud8 s VAL 478 Ca 0.45 -1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 59.17 1ud8 s VAL 478 Cb -0.27 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1ud8 s VAL 478 CO 0.34 -0.46 1.86 -3.20 -0.31 0.00 0.00 175.10 173.32 1ud8 n ASN 479 N -0.14 4.26 -0.40 4.85 4.05 -1.26 -2.27 115.26 124.35 1ud8 n ASN 479 Ca -0.11 -2.85 0.05 0.00 0.45 0.00 0.00 54.58 52.12 1ud8 n ASN 479 Cb 0.63 -1.70 0.04 0.00 1.23 0.00 0.00 39.78 39.98 1ud8 n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21