#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nws s LYS 23 N 0.00 4.40 -0.54 -0.72 1.02 0.53 -4.95 119.74 119.47 1nws s LYS 23 Ca 0.00 1.74 0.04 0.00 0.02 0.00 0.00 55.97 57.77 1nws s LYS 23 Cb 0.00 -2.91 0.16 0.00 -0.52 0.00 0.00 37.83 34.55 1nws s LYS 23 CO 0.00 0.01 0.37 -1.17 -0.92 0.00 0.00 175.35 173.64 1nws s LEU 24 N -1.97 3.27 -0.26 3.17 2.96 -1.26 -2.32 118.68 122.27 1nws s LEU 24 Ca 0.50 -3.28 -0.29 0.00 -0.22 0.00 0.00 54.13 50.85 1nws s LEU 24 Cb -0.29 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.26 1nws s LEU 24 CO 0.37 -0.16 1.22 -0.69 -1.32 0.00 0.00 176.35 175.77 1nws s VAL 25 N -0.51 4.31 -0.08 1.68 1.01 -0.82 -2.14 120.40 123.85 1nws s VAL 25 Ca 0.25 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1nws s VAL 25 Cb -0.08 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1nws s VAL 25 CO -0.12 -0.34 -0.17 0.00 0.00 0.00 0.00 175.10 174.46 1nws s TYR 27 N -0.14 3.66 -0.07 0.00 2.02 -0.85 0.39 117.35 122.37 1nws s TYR 27 Ca -0.02 0.77 0.04 0.00 -0.37 0.00 0.00 57.07 57.49 1nws s TYR 27 Cb -0.14 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1nws s TYR 27 CO 0.04 0.69 -0.20 -0.47 -1.57 0.00 0.00 175.55 174.03 1nws s TYR 28 N -1.07 2.10 -0.22 2.71 5.04 0.32 -0.55 117.35 125.68 1nws s TYR 28 Ca 0.20 -0.76 -0.07 0.00 -2.44 0.00 0.00 57.07 54.01 1nws s TYR 28 Cb -0.14 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.71 1nws s TYR 28 CO 0.09 -0.30 0.05 0.95 -1.34 0.00 0.00 175.55 175.01 1nws s THR 29 N 0.26 4.33 0.54 4.34 -4.23 -1.26 -0.90 115.64 118.72 1nws s THR 29 Ca -0.12 -0.18 0.22 0.00 -1.18 0.00 0.00 61.69 60.43 1nws s THR 29 Cb -0.15 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 70.99 1nws s THR 29 CO 0.05 0.39 2.18 0.77 -0.54 0.00 0.00 174.62 177.47 1nws h SER 30 N 7.68 0.00 0.52 3.99 4.64 -1.13 -1.73 113.55 127.52 1nws h SER 30 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1nws h SER 30 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nws h SER 30 CO 0.61 0.01 0.00 -2.67 -0.87 0.00 0.00 176.83 173.91 1nws n TRP 31 N -4.24 0.00 0.70 4.77 2.14 -1.26 -2.81 117.44 116.75 1nws n TRP 31 Ca -0.03 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.63 1nws n TRP 31 Cb 0.10 -0.34 0.42 0.00 -0.81 0.00 0.00 31.31 30.68 1nws n TRP 31 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 1nws n SER 32 N -1.34 0.00 0.14 -0.67 3.41 -0.65 -2.90 113.62 111.61 1nws n SER 32 Ca 0.10 0.39 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1nws n SER 32 Cb 0.20 -0.45 0.32 0.00 -0.26 0.00 0.00 64.21 64.02 1nws n SER 32 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1nws h GLN 33 N 0.00 0.12 -0.00 4.33 3.07 -1.45 -1.31 115.11 119.87 1nws h GLN 33 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1nws h GLN 33 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1nws h GLN 33 CO 0.00 0.45 -0.03 0.66 0.09 0.00 0.00 178.83 180.00 1nws n TYR 34 N -4.10 0.00 -1.73 0.06 4.01 -1.14 -4.27 117.16 109.98 1nws n TYR 34 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1nws n TYR 34 Cb 0.41 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1nws n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1nws n ARG 35 N -1.47 2.49 -1.13 -0.72 5.12 -1.15 -4.88 116.66 114.92 1nws n ARG 35 Ca 0.08 0.88 -0.35 0.00 -1.93 0.00 0.00 57.85 56.53 1nws n ARG 35 Cb 0.33 -2.61 0.10 0.00 -1.16 0.00 0.00 32.46 29.12 1nws n ARG 35 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1nws n GLU 36 N 1.73 0.17 0.00 5.56 1.02 -1.26 -1.09 120.64 126.77 1nws n GLU 36 Ca 0.08 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1nws n GLU 36 Cb 0.36 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1nws n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nws n GLY 37 N 1.18 1.80 0.13 0.62 0.00 -1.26 0.02 105.19 107.67 1nws n GLY 37 Ca 0.11 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1nws n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nws n ASP 38 N 0.03 0.43 -0.26 1.61 8.00 -1.26 -1.64 116.55 123.46 1nws n ASP 38 Ca 0.00 0.70 -0.05 0.00 0.71 0.00 0.00 54.79 56.14 1nws n ASP 38 Cb 0.00 -0.75 0.09 0.00 -0.02 0.00 0.00 41.12 40.44 1nws n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1nws h GLY 39 N 0.00 1.21 -5.61 0.44 0.00 -0.62 -3.44 103.07 95.06 1nws h GLY 39 Ca 0.00 -0.67 -0.68 0.00 0.00 0.00 0.00 47.33 45.98 1nws h GLY 39 CO 0.00 0.63 0.63 -1.26 0.00 0.00 0.00 176.54 176.54 1nws n SER 40 N -4.27 2.09 -3.95 0.19 2.88 -0.25 -4.69 113.62 105.62 1nws n SER 40 Ca 0.06 1.10 -0.23 0.00 -1.33 0.00 0.00 58.87 58.47 1nws n SER 40 Cb 0.20 -1.22 -0.17 0.00 -0.75 0.00 0.00 64.21 62.28 1nws n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nws s PHE 42 N 0.93 2.12 0.44 0.00 0.40 -1.26 -3.09 117.98 117.51 1nws s PHE 42 Ca -0.10 -0.39 0.26 0.00 -0.60 0.00 0.00 56.93 56.09 1nws s PHE 42 Cb -0.15 -1.13 1.30 0.00 0.51 0.00 0.00 43.02 43.55 1nws s PHE 42 CO 0.01 0.33 1.72 -1.35 0.70 0.00 0.00 175.22 176.62 1nws h PRO 43 N 3.78 0.21 0.00 0.24 0.11 -1.91 0.19 132.00 134.62 1nws h PRO 43 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nws h PRO 43 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nws h PRO 43 CO 0.41 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1nws n ASP 44 N -4.56 0.07 -0.83 -2.05 5.75 -1.26 -1.86 116.55 111.81 1nws n ASP 44 Ca 0.30 0.52 0.11 0.00 -0.01 0.00 0.00 54.79 55.71 1nws n ASP 44 Cb 1.16 -0.53 0.29 0.00 -1.03 0.00 0.00 41.12 41.01 1nws n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nws n ALA 45 N -1.53 2.47 -2.45 2.12 0.00 0.65 -4.92 120.51 116.86 1nws n ALA 45 Ca 0.03 -0.73 -0.37 0.00 0.00 0.00 0.00 53.44 52.37 1nws n ALA 45 Cb 0.16 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1nws n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nws s LEU 46 N -1.54 4.42 -0.36 0.00 1.43 -0.78 -5.00 118.68 116.86 1nws s LEU 46 Ca 0.35 1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1nws s LEU 46 Cb 0.20 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1nws s LEU 46 CO 0.29 0.23 1.26 -0.62 0.23 0.00 0.00 176.35 177.74 1nws s ASP 47 N -1.39 6.63 0.62 2.29 -1.08 -1.26 -4.91 116.67 117.56 1nws s ASP 47 Ca 0.30 0.95 0.36 0.00 -0.52 0.00 0.00 52.55 53.63 1nws s ASP 47 Cb -0.16 -2.54 2.06 0.00 -1.46 0.00 0.00 42.92 40.81 1nws s ASP 47 CO 0.17 -1.17 2.30 0.08 0.52 0.00 0.00 175.17 177.07 1nws h ARG 48 N 9.42 0.00 -0.01 4.34 0.11 -1.96 -2.39 114.38 123.89 1nws h ARG 48 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1nws h ARG 48 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1nws h ARG 48 CO 1.06 0.00 -0.73 1.19 0.10 0.00 0.00 179.97 181.59 1nws n PHE 49 N -3.55 0.00 0.12 4.08 3.72 -1.26 -4.60 117.46 115.97 1nws n PHE 49 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 1nws n PHE 49 Cb 0.08 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 1nws n PHE 49 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nws h LEU 50 N 1.24 -0.20 -9.75 4.37 5.85 -1.84 -3.46 115.31 111.52 1nws h LEU 50 Ca 0.00 -0.09 -0.57 0.00 0.84 0.00 0.00 57.88 58.06 1nws h LEU 50 Cb 0.63 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 1nws h LEU 50 CO 0.00 -0.04 -0.56 0.00 -0.34 0.00 0.00 178.44 177.50 1nws n THR 52 N -1.09 1.07 -4.05 0.00 -2.24 -0.91 -4.85 114.28 102.21 1nws n THR 52 Ca -0.03 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.89 1nws n THR 52 Cb 0.63 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 68.13 1nws n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nws s HIS 53 N -2.91 0.35 -0.11 4.78 3.76 -1.16 -0.80 115.29 119.19 1nws s HIS 53 Ca -0.05 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.82 1nws s HIS 53 Cb 0.09 -0.28 0.01 0.00 1.11 0.00 0.00 32.58 33.52 1nws s HIS 53 CO 0.83 -0.04 -0.15 0.42 -0.85 0.00 0.00 174.74 174.95 1nws s ILE 54 N 0.19 1.50 -0.16 0.60 1.01 -0.64 -0.25 121.20 123.44 1nws s ILE 54 Ca -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1nws s ILE 54 Cb -0.05 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1nws s ILE 54 CO -0.00 0.44 -0.02 -0.63 0.00 0.00 0.00 174.94 174.73 1nws s ILE 55 N 0.99 4.04 -0.14 2.92 1.01 0.16 -1.67 121.20 128.52 1nws s ILE 55 Ca -0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 1nws s ILE 55 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1nws s ILE 55 CO -0.02 0.48 0.58 -0.47 0.00 0.00 0.00 174.94 175.51 1nws s TYR 56 N 0.41 3.47 -0.08 3.97 6.14 0.01 -0.52 117.35 130.75 1nws s TYR 56 Ca -0.03 0.97 0.03 0.00 0.64 0.00 0.00 57.07 58.68 1nws s TYR 56 Cb -0.14 -2.70 0.01 0.00 0.42 0.00 0.00 41.96 39.55 1nws s TYR 56 CO 0.02 0.02 -0.17 -1.12 0.64 0.00 0.00 175.55 174.94 1nws s SER 57 N 0.90 2.32 0.16 4.32 0.01 -0.08 0.01 113.70 121.34 1nws s SER 57 Ca 0.29 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.18 1nws s SER 57 Cb -0.16 -1.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.97 1nws s SER 57 CO 0.12 0.09 -0.06 -0.36 0.41 0.00 0.00 173.24 173.44 1nws s PHE 58 N 0.51 1.23 0.02 2.43 0.08 -1.26 -0.42 117.98 120.58 1nws s PHE 58 Ca -0.16 -0.87 -0.02 0.00 0.12 0.00 0.00 56.93 56.00 1nws s PHE 58 Cb -0.17 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 1nws s PHE 58 CO 0.06 -0.04 0.20 0.00 -0.10 0.00 0.00 175.22 175.34 1nws s ALA 59 N -3.46 3.96 0.46 5.36 0.00 0.14 -4.47 121.76 123.76 1nws s ALA 59 Ca 0.19 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1nws s ALA 59 Cb 0.04 -1.89 0.08 0.00 0.00 0.00 0.00 23.12 21.35 1nws s ALA 59 CO 0.02 0.76 0.59 -1.71 0.00 0.00 0.00 175.76 175.42 1nws n ASN 60 N 0.74 1.28 -3.68 0.00 5.15 0.39 -2.82 115.26 116.32 1nws n ASN 60 Ca -0.09 -1.97 -0.25 0.00 -0.60 0.00 0.00 54.58 51.68 1nws n ASN 60 Cb 0.52 -0.33 -0.17 0.00 -0.53 0.00 0.00 39.78 39.27 1nws n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1nws s ILE 61 N -1.62 0.13 -0.06 -1.44 1.01 -1.26 -1.42 121.20 116.54 1nws s ILE 61 Ca 0.43 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.03 1nws s ILE 61 Cb -0.03 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1nws s ILE 61 CO 0.27 -0.08 -0.18 -0.44 0.00 0.00 0.00 174.94 174.52 1nws s SER 62 N 2.05 2.36 -1.46 3.58 0.01 -0.52 -4.68 113.70 115.05 1nws s SER 62 Ca 0.02 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1nws s SER 62 Cb -0.15 -0.88 0.04 0.00 0.21 0.00 0.00 66.02 65.25 1nws s SER 62 CO -0.07 0.13 0.78 0.59 0.41 0.00 0.00 173.24 175.08 1nws n ASN 63 N 3.40 -5.28 -3.03 2.44 3.02 -1.26 -0.98 115.26 113.56 1nws n ASN 63 Ca -0.20 -0.49 -0.22 0.00 -0.03 0.00 0.00 54.58 53.65 1nws n ASN 63 Cb 0.53 -4.25 0.03 0.00 -0.61 0.00 0.00 39.78 35.47 1nws n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nws n ASP 64 N -2.64 -5.72 -4.09 6.41 8.00 -1.26 -4.93 116.55 112.33 1nws n ASP 64 Ca -0.03 -0.28 -0.23 0.00 0.71 0.00 0.00 54.79 54.97 1nws n ASP 64 Cb 0.57 -4.64 -0.15 0.00 -0.02 0.00 0.00 41.12 36.87 1nws n ASP 64 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nws s HIS 65 N -3.12 1.32 0.23 1.24 3.76 -0.15 -1.16 115.29 117.40 1nws s HIS 65 Ca 0.30 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.58 1nws s HIS 65 Cb -0.14 -0.88 -0.11 0.00 1.11 0.00 0.00 32.58 32.56 1nws s HIS 65 CO 0.37 -0.08 1.59 -1.50 -0.85 0.00 0.00 174.74 174.26 1nws s ILE 66 N -0.08 2.32 0.13 0.60 1.10 -1.26 -1.43 121.20 122.57 1nws s ILE 66 Ca 0.00 0.25 -0.11 0.00 -0.51 0.00 0.00 60.65 60.28 1nws s ILE 66 Cb -0.08 -3.16 0.01 0.00 0.15 0.00 0.00 42.46 39.38 1nws s ILE 66 CO 0.00 0.03 0.29 -0.62 -2.11 0.00 0.00 174.94 172.53 1nws s ASP 67 N 0.79 -0.01 0.97 4.50 2.15 -0.51 -4.88 116.67 119.69 1nws s ASP 67 Ca 0.67 -0.64 -0.12 0.00 0.43 0.00 0.00 52.55 52.90 1nws s ASP 67 Cb -0.46 0.42 0.17 0.00 -0.30 0.00 0.00 42.92 42.75 1nws s ASP 67 CO 0.39 -0.83 1.09 0.42 -0.17 0.00 0.00 175.17 176.06 1nws s THR 68 N -3.88 2.39 0.04 1.71 -4.23 -1.26 -0.46 115.64 109.93 1nws s THR 68 Ca 0.09 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1nws s THR 68 Cb 0.03 -2.41 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 1nws s THR 68 CO -0.07 -0.16 -0.01 1.87 -0.54 0.00 0.00 174.62 175.70 1nws n TRP 69 N -4.21 0.00 -3.16 3.99 -0.00 -1.26 -4.24 117.44 108.56 1nws n TRP 69 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.18 1nws n TRP 69 Cb 0.54 -0.02 -0.06 0.00 -0.00 0.00 0.00 31.31 31.77 1nws n TRP 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1nws s GLU 70 N -2.02 4.34 0.53 5.87 2.56 -1.26 -4.95 118.70 123.77 1nws s GLU 70 Ca -0.01 0.87 0.39 0.00 0.00 0.00 0.00 54.97 56.22 1nws s GLU 70 Cb 0.00 -3.28 1.57 0.00 2.00 0.00 0.00 34.13 34.42 1nws s GLU 70 CO 0.01 0.53 1.72 0.11 -0.56 0.00 0.00 175.26 177.08 1nws h TRP 71 N 4.82 0.10 -0.34 5.30 5.08 -2.03 0.18 115.95 129.07 1nws h TRP 71 Ca -0.48 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.41 1nws h TRP 71 Cb 1.21 -0.03 -0.05 0.00 -3.00 0.00 0.00 29.16 27.29 1nws h TRP 71 CO 0.66 -0.01 0.01 0.27 -1.28 0.00 0.00 178.44 178.09 1nws n ASN 72 N -4.19 3.44 -0.03 0.11 6.94 -1.26 -4.77 115.26 115.50 1nws n ASN 72 Ca 0.32 -3.30 -0.09 0.00 -0.02 0.00 0.00 54.58 51.49 1nws n ASN 72 Cb 1.47 -0.59 -0.02 0.00 -2.36 0.00 0.00 39.78 38.27 1nws n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nws h ASP 73 N 1.52 -0.74 -0.64 0.53 3.32 -1.34 -1.67 116.42 117.40 1nws h ASP 73 Ca 0.11 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.42 1nws h ASP 73 Cb 1.60 0.34 -0.10 0.00 0.22 0.00 0.00 39.33 41.40 1nws h ASP 73 CO 0.33 -0.28 0.05 0.58 -1.72 0.00 0.00 179.24 178.21 1nws h VAL 74 N -0.26 0.52 -0.24 -1.35 2.07 -1.86 0.90 116.25 116.02 1nws h VAL 74 Ca 0.12 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1nws h VAL 74 Cb 0.45 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1nws h VAL 74 CO -0.35 0.03 0.12 0.74 0.02 0.00 0.00 177.57 178.13 1nws h THR 75 N 0.17 1.00 -0.04 2.57 2.02 -1.79 -1.87 112.91 114.97 1nws h THR 75 Ca 0.34 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.35 1nws h THR 75 Cb 0.55 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1nws h THR 75 CO -0.51 0.05 -0.34 -0.07 0.37 0.00 0.00 175.52 175.02 1nws h LEU 76 N 0.26 0.07 0.20 2.58 3.38 -0.07 -1.85 115.31 119.88 1nws h LEU 76 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nws h LEU 76 Cb 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1nws h LEU 76 CO -0.07 0.41 -0.20 1.88 0.09 0.00 0.00 178.44 180.55 1nws h TYR 77 N 0.06 -0.53 -0.50 1.13 0.05 0.15 0.10 116.97 117.44 1nws h TYR 77 Ca 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1nws h TYR 77 Cb 0.64 0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1nws h TYR 77 CO 0.00 -0.30 0.15 0.78 -1.05 0.00 0.00 178.16 177.74 1nws h GLY 78 N -0.44 0.79 1.02 3.88 0.00 -1.21 0.24 103.07 107.35 1nws h GLY 78 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1nws h GLY 78 CO -0.05 0.40 0.46 1.98 0.00 0.00 0.00 176.54 179.33 1nws h MET 79 N 0.72 1.16 -0.04 4.80 -1.53 -0.79 -0.02 114.93 119.23 1nws h MET 79 Ca 0.17 -0.14 -0.03 0.00 -3.44 0.00 0.00 59.70 56.26 1nws h MET 79 Cb 0.22 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.04 1nws h MET 79 CO -0.01 0.86 -0.09 1.25 0.14 0.00 0.00 176.91 179.05 1nws h LEU 80 N 1.16 0.15 -1.70 3.39 5.85 -0.03 -3.28 115.31 120.85 1nws h LEU 80 Ca 0.29 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1nws h LEU 80 Cb 0.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1nws h LEU 80 CO -0.05 0.71 0.00 0.78 -0.34 0.00 0.00 178.44 179.54 1nws h ASN 81 N -0.39 0.00 0.00 1.25 2.35 -0.37 -2.54 115.58 115.87 1nws h ASN 81 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1nws h ASN 81 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1nws h ASN 81 CO 0.02 0.00 -0.10 0.74 -1.65 0.00 0.00 177.43 176.44 1nws h THR 82 N 0.00 1.15 -0.13 2.81 2.02 -1.06 -1.49 112.91 116.22 1nws h THR 82 Ca 0.00 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1nws h THR 82 Cb 0.36 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1nws h THR 82 CO 0.00 0.21 0.26 -0.07 0.37 0.00 0.00 175.52 176.29 1nws h LEU 83 N 0.21 0.00 -0.35 2.58 3.38 -1.60 0.56 115.31 120.10 1nws h LEU 83 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nws h LEU 83 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1nws h LEU 83 CO 0.02 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.66 1nws h LYS 84 N 0.00 0.00 0.80 1.13 1.57 -1.46 -3.25 116.57 115.36 1nws h LYS 84 Ca 0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1nws h LYS 84 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1nws h LYS 84 CO -0.00 0.00 -0.50 -0.91 -0.57 0.00 0.00 179.45 177.47 1nws h ASN 85 N 0.00 -1.27 1.22 0.86 2.35 -1.03 -2.81 115.58 114.90 1nws h ASN 85 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1nws h ASN 85 Cb 0.64 0.37 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1nws h ASN 85 CO 0.00 -0.76 0.00 0.54 -1.65 0.00 0.00 177.43 175.56 1nws n ARG 86 N -5.63 0.25 -3.67 0.81 1.74 -1.25 -4.37 116.66 104.54 1nws n ARG 86 Ca -0.15 0.30 -0.29 0.00 -0.77 0.00 0.00 57.85 56.94 1nws n ARG 86 Cb 0.51 -1.85 -0.13 0.00 -1.02 0.00 0.00 32.46 29.97 1nws n ARG 86 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nws s ASN 87 N -4.50 3.61 0.45 0.55 3.84 -1.07 -4.99 114.94 112.83 1nws s ASN 87 Ca 0.08 -2.35 0.15 0.00 0.21 0.00 0.00 52.86 50.95 1nws s ASN 87 Cb 0.11 -0.89 1.03 0.00 -0.55 0.00 0.00 41.25 40.95 1nws s ASN 87 CO 0.53 -0.30 2.00 -0.65 -2.79 0.00 0.00 177.10 175.88 1nws h PRO 88 N 7.06 0.00 0.00 0.43 0.11 -1.72 -2.94 132.00 134.94 1nws h PRO 88 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1nws h PRO 88 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1nws h PRO 88 CO 0.44 0.17 -0.36 -0.91 -0.21 0.00 0.00 178.00 177.14 1nws h ASN 89 N 0.00 0.00 -2.30 -2.05 4.21 -1.94 -3.44 115.58 110.06 1nws h ASN 89 Ca -0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1nws h ASN 89 Cb 0.31 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1nws h ASN 89 CO 0.02 0.36 1.11 -0.11 -1.29 0.00 0.00 177.43 177.52 1nws n LEU 90 N -3.49 3.82 -4.88 1.61 7.94 -1.11 -4.93 117.00 115.96 1nws n LEU 90 Ca -0.00 0.97 -0.32 0.00 -1.11 0.00 0.00 56.01 55.55 1nws n LEU 90 Cb 0.51 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.93 1nws n LEU 90 CO 0.36 0.07 -0.18 -0.75 -1.11 0.00 0.00 177.39 175.79 1nws s LYS 91 N 3.40 3.30 -0.02 1.96 2.47 0.02 -4.90 119.74 125.95 1nws s LYS 91 Ca 0.87 -0.47 0.03 0.00 -1.56 0.00 0.00 55.97 54.84 1nws s LYS 91 Cb -0.55 -2.97 -0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1nws s LYS 91 CO 0.43 0.62 -0.11 0.99 0.16 0.00 0.00 175.35 177.43 1nws s THR 92 N -1.42 0.92 0.09 3.43 2.01 -1.26 -1.62 115.64 117.80 1nws s THR 92 Ca 0.31 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1nws s THR 92 Cb -0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1nws s THR 92 CO 0.24 0.28 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.55 1nws s LEU 93 N 0.04 2.34 -0.18 4.42 1.02 -0.67 0.21 118.68 125.86 1nws s LEU 93 Ca -0.01 -0.72 -0.06 0.00 0.02 0.00 0.00 54.13 53.37 1nws s LEU 93 Cb -0.08 -0.47 -0.03 0.00 0.02 0.00 0.00 46.19 45.63 1nws s LEU 93 CO 0.00 -0.14 0.01 -0.22 0.02 0.00 0.00 176.35 176.03 1nws s LEU 94 N -2.11 3.46 -0.26 1.79 2.96 -0.13 -0.81 118.68 123.57 1nws s LEU 94 Ca 0.03 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1nws s LEU 94 Cb -0.07 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1nws s LEU 94 CO 0.02 0.13 0.20 -0.55 -1.32 0.00 0.00 176.35 174.83 1nws s SER 95 N 0.62 6.08 -0.12 3.68 0.15 0.10 0.02 113.70 124.23 1nws s SER 95 Ca 0.00 0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 1nws s SER 95 Cb -0.14 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1nws s SER 95 CO 0.02 -0.02 0.01 0.54 1.20 0.00 0.00 173.24 174.99 1nws s VAL 96 N 1.51 4.36 0.00 4.45 0.11 0.25 0.28 120.40 131.37 1nws s VAL 96 Ca 0.08 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1nws s VAL 96 Cb -0.15 -2.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1nws s VAL 96 CO 0.08 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 173.02 1nws n GLY 97 N 2.71 0.42 0.00 6.54 0.00 -1.13 -0.49 105.19 113.24 1nws n GLY 97 Ca -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1nws n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nws n GLY 98 N 0.00 0.94 0.16 -0.02 0.00 0.20 -4.30 105.19 102.18 1nws n GLY 98 Ca 0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.81 1nws n GLY 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nws h TRP 99 N 0.00 0.73 0.00 1.61 4.06 -1.87 -3.18 115.95 117.30 1nws h TRP 99 Ca 0.00 -0.36 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1nws h TRP 99 Cb 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.06 1nws h TRP 99 CO 0.00 1.17 0.00 0.09 -3.56 0.00 0.00 178.44 176.14 1nws n ASN 100 N -4.16 0.00 0.27 -3.49 3.02 -1.26 -3.87 115.26 105.78 1nws n ASN 100 Ca -0.09 -1.35 -0.11 0.00 -0.03 0.00 0.00 54.58 53.00 1nws n ASN 100 Cb 0.68 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.80 1nws n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1nws h PHE 101 N 0.00 -0.69 0.00 3.10 3.04 -1.74 -3.49 116.94 117.16 1nws h PHE 101 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1nws h PHE 101 Cb 0.00 0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1nws h PHE 101 CO 0.00 -0.43 0.00 0.41 -2.02 0.00 0.00 178.31 176.27 1nws n GLY 102 N -0.26 0.79 0.39 2.40 0.00 -1.25 -4.80 105.19 102.47 1nws n GLY 102 Ca -0.09 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.36 1nws n GLY 102 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nws h SER 103 N 0.00 0.00 0.35 1.61 4.64 -1.88 0.34 113.55 118.61 1nws h SER 103 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1nws h SER 103 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nws h SER 103 CO 0.00 0.00 -0.17 1.56 -0.87 0.00 0.00 176.83 177.35 1nws h GLN 104 N 0.00 -0.45 0.13 4.77 1.08 -1.93 0.56 115.11 119.26 1nws h GLN 104 Ca 0.15 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1nws h GLN 104 Cb 1.88 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 1nws h GLN 104 CO -0.00 -0.28 -0.06 0.00 -0.95 0.00 0.00 178.83 177.54 1nws h ARG 105 N -0.51 -0.17 -0.88 1.46 3.08 -0.64 -2.60 114.38 114.14 1nws h ARG 105 Ca -0.05 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.20 1nws h ARG 105 Cb 0.38 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1nws h ARG 105 CO 0.08 0.04 0.58 0.35 -1.07 0.00 0.00 179.97 179.95 1nws h PHE 106 N -0.36 0.56 0.48 3.04 3.04 -1.46 -1.09 116.94 121.16 1nws h PHE 106 Ca -0.02 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1nws h PHE 106 Cb 0.29 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1nws h PHE 106 CO -0.01 0.16 -0.23 1.03 -2.02 0.00 0.00 178.31 177.24 1nws h SER 107 N 0.44 -0.54 -0.12 0.41 0.87 -0.59 -1.93 113.55 112.09 1nws h SER 107 Ca 0.45 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 61.01 1nws h SER 107 Cb 1.08 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 63.12 1nws h SER 107 CO -0.17 -0.27 -0.28 0.11 -0.53 0.00 0.00 176.83 175.69 1nws h LYS 108 N -0.81 -0.35 -0.42 2.24 1.57 -0.89 0.58 116.57 118.49 1nws h LYS 108 Ca -0.07 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1nws h LYS 108 Cb 0.56 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 1nws h LYS 108 CO 0.11 -0.23 -0.10 0.82 -0.57 0.00 0.00 179.45 179.48 1nws h ILE 109 N -0.36 0.58 -0.06 1.86 2.04 -1.26 0.22 117.51 120.53 1nws h ILE 109 Ca 0.10 -0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 1nws h ILE 109 Cb 0.51 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1nws h ILE 109 CO -0.32 0.00 -0.64 0.00 0.00 0.00 0.00 178.15 177.19 1nws h ALA 110 N 1.42 0.81 -0.09 1.87 0.00 -0.84 -2.35 119.26 120.08 1nws h ALA 110 Ca 0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1nws h ALA 110 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nws h ALA 110 CO -0.43 0.75 -0.07 1.03 0.00 0.00 0.00 179.25 180.53 1nws h SER 111 N 0.16 0.22 -2.99 0.00 0.87 0.91 -3.44 113.55 109.28 1nws h SER 111 Ca -0.01 -0.46 -0.54 0.00 -1.23 0.00 0.00 61.79 59.55 1nws h SER 111 Cb 1.16 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1nws h SER 111 CO 0.10 0.64 0.75 0.21 -0.53 0.00 0.00 176.83 177.99 1nws s ASN 112 N -5.92 6.87 0.28 6.23 3.84 0.70 -4.94 114.94 122.00 1nws s ASN 112 Ca -0.15 2.19 -0.02 0.00 0.21 0.00 0.00 52.86 55.09 1nws s ASN 112 Cb 0.04 -2.57 0.38 0.00 -0.55 0.00 0.00 41.25 38.55 1nws s ASN 112 CO 0.72 -0.65 1.86 0.74 -2.79 0.00 0.00 177.10 176.98 1nws h THR 113 N 4.57 1.22 0.02 -5.21 2.02 -1.85 -1.13 112.91 112.54 1nws h THR 113 Ca -0.40 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1nws h THR 113 Cb 1.20 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1nws h THR 113 CO 0.87 0.28 -0.01 1.56 0.37 0.00 0.00 175.52 178.59 1nws h GLN 114 N 0.94 -0.02 -0.57 6.66 7.50 -1.92 -2.71 115.11 124.99 1nws h GLN 114 Ca 0.22 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.47 1nws h GLN 114 Cb 0.16 0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.62 1nws h GLN 114 CO -0.02 0.62 0.17 0.77 -1.50 0.00 0.00 178.83 178.87 1nws h SER 115 N -0.69 0.12 -0.27 1.46 0.02 -1.78 0.38 113.55 112.79 1nws h SER 115 Ca -0.00 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1nws h SER 115 Cb 0.65 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1nws h SER 115 CO 0.00 0.08 0.08 -0.09 -1.14 0.00 0.00 176.83 175.76 1nws h ARG 116 N 0.33 0.19 0.02 3.45 2.43 -0.63 -1.23 114.38 118.93 1nws h ARG 116 Ca 0.29 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1nws h ARG 116 Cb 0.39 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1nws h ARG 116 CO -0.33 0.12 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.16 1nws h ARG 117 N 0.19 -0.02 0.03 0.20 9.65 -0.96 -0.70 114.38 122.77 1nws h ARG 117 Ca 0.12 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1nws h ARG 117 Cb 0.10 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.63 1nws h ARG 117 CO -0.13 0.00 -0.37 1.15 2.80 0.00 0.00 179.97 183.42 1nws h THR 118 N -0.04 0.23 -0.08 0.20 2.02 -0.76 0.38 112.91 114.86 1nws h THR 118 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1nws h THR 118 Cb 0.04 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 1nws h THR 118 CO 0.00 0.00 -0.14 0.15 0.37 0.00 0.00 175.52 175.91 1nws h PHE 119 N -0.54 -0.35 -0.62 3.16 3.57 0.10 -0.55 116.94 121.71 1nws h PHE 119 Ca 0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1nws h PHE 119 Cb 0.61 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 1nws h PHE 119 CO -0.37 -0.20 0.33 0.82 -2.23 0.00 0.00 178.31 176.66 1nws h ILE 120 N -0.19 0.95 0.00 1.41 2.04 -0.80 -1.79 117.51 119.14 1nws h ILE 120 Ca 0.08 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1nws h ILE 120 Cb 0.29 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1nws h ILE 120 CO -0.20 0.11 -0.24 0.50 0.00 0.00 0.00 178.15 178.33 1nws h LYS 121 N 0.62 0.00 0.00 2.37 3.64 -0.46 -2.75 116.57 119.99 1nws h LYS 121 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1nws h LYS 121 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1nws h LYS 121 CO -0.18 0.24 -0.10 -1.13 -2.27 0.00 0.00 179.45 176.01 1nws n SER 122 N -3.77 0.71 0.18 4.20 3.41 -0.26 -4.32 113.62 113.77 1nws n SER 122 Ca -0.01 0.49 -0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1nws n SER 122 Cb 0.34 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 1nws n SER 122 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1nws h VAL 123 N 0.00 0.31 -0.64 -3.33 2.07 -1.19 -3.11 116.25 110.35 1nws h VAL 123 Ca 0.00 -0.68 0.14 0.00 0.82 0.00 0.00 66.70 66.98 1nws h VAL 123 Cb 0.71 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 1nws h VAL 123 CO 0.00 0.07 0.02 -0.65 0.02 0.00 0.00 177.57 177.03 1nws h PRO 124 N -1.03 0.13 0.57 1.57 0.11 -1.75 -0.23 132.00 131.36 1nws h PRO 124 Ca -0.05 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1nws h PRO 124 Cb 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1nws h PRO 124 CO 0.09 0.09 -0.45 -1.35 -0.21 0.00 0.00 178.00 176.16 1nws h PRO 125 N 0.13 -0.95 -0.94 1.05 0.11 -1.79 -1.53 132.00 128.10 1nws h PRO 125 Ca 0.34 0.06 0.25 0.00 0.11 0.00 0.00 66.00 66.76 1nws h PRO 125 Cb 0.56 0.22 -0.13 0.00 0.11 0.00 0.00 31.00 31.75 1nws h PRO 125 CO -0.54 -0.63 0.45 0.35 -0.21 0.00 0.00 178.00 177.42 1nws h PHE 126 N -0.98 0.75 -0.09 0.65 3.04 -1.39 0.24 116.94 119.16 1nws h PHE 126 Ca -0.07 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1nws h PHE 126 Cb 0.82 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 1nws h PHE 126 CO -0.17 -0.08 -0.03 -0.07 -2.02 0.00 0.00 178.31 175.94 1nws h LEU 127 N 0.39 0.19 -0.71 0.59 3.38 -0.71 -2.13 115.31 116.31 1nws h LEU 127 Ca 0.62 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1nws h LEU 127 Cb 1.24 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1nws h LEU 127 CO -0.55 0.54 0.20 0.03 0.09 0.00 0.00 178.44 178.74 1nws h ARG 128 N -0.17 1.12 -0.81 1.13 2.47 -0.51 0.33 114.38 117.95 1nws h ARG 128 Ca 0.02 -0.26 0.05 0.00 -1.26 0.00 0.00 59.98 58.53 1nws h ARG 128 Cb 0.46 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.58 1nws h ARG 128 CO 0.01 0.98 0.53 1.15 0.56 0.00 0.00 179.97 183.20 1nws h THR 129 N 1.06 1.09 -0.39 2.04 2.02 -0.49 -2.94 112.91 115.30 1nws h THR 129 Ca 0.23 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1nws h THR 129 Cb 0.34 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1nws h THR 129 CO -0.00 0.17 0.00 1.41 0.37 0.00 0.00 175.52 177.47 1nws n HIS 130 N -4.47 0.51 -1.63 3.16 8.25 -0.81 -4.99 115.22 115.25 1nws n HIS 130 Ca 0.11 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1nws n HIS 130 Cb 0.16 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1nws n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nws n GLY 131 N 1.09 0.61 3.91 -1.41 0.00 -0.52 -4.70 105.19 104.18 1nws n GLY 131 Ca 0.16 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1nws n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nws s PHE 132 N -2.00 3.48 -0.84 1.61 0.08 -0.01 -4.90 117.98 115.39 1nws s PHE 132 Ca 0.00 0.47 0.23 0.00 0.12 0.00 0.00 56.93 57.75 1nws s PHE 132 Cb 0.00 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.63 1nws s PHE 132 CO 0.00 0.41 1.12 -0.25 -0.10 0.00 0.00 175.22 176.41 1nws n ASP 133 N -0.19 0.67 -3.92 1.36 8.00 0.13 -4.52 116.55 118.09 1nws n ASP 133 Ca -0.03 -0.43 0.04 0.00 0.71 0.00 0.00 54.79 55.08 1nws n ASP 133 Cb 0.52 0.67 0.01 0.00 -0.02 0.00 0.00 41.12 42.30 1nws n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nws s GLY 134 N -3.26 -0.26 0.06 0.44 0.00 -0.97 -0.56 107.32 102.77 1nws s GLY 134 Ca 0.07 0.30 0.06 0.00 0.00 0.00 0.00 44.72 45.15 1nws s GLY 134 CO 0.79 5.51 -0.13 -2.27 0.00 0.00 0.00 173.10 177.00 1nws s LEU 135 N -3.77 2.89 -0.14 0.66 2.96 0.93 -0.96 118.68 121.25 1nws s LEU 135 Ca 0.29 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1nws s LEU 135 Cb 0.01 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 45.03 1nws s LEU 135 CO -0.03 0.23 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.47 1nws s ASP 136 N -1.78 2.59 -0.31 3.68 2.15 0.10 -1.44 116.67 121.67 1nws s ASP 136 Ca 0.18 -0.45 -0.26 0.00 0.43 0.00 0.00 52.55 52.44 1nws s ASP 136 Cb -0.11 -1.12 0.01 0.00 -0.30 0.00 0.00 42.92 41.40 1nws s ASP 136 CO 0.09 -0.06 0.92 -0.76 -0.17 0.00 0.00 175.17 175.19 1nws s LEU 137 N 1.49 4.03 -0.55 -1.34 1.43 0.38 -0.58 118.68 123.54 1nws s LEU 137 Ca 0.04 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1nws s LEU 137 Cb -0.13 -3.29 0.35 0.00 0.03 0.00 0.00 46.19 43.15 1nws s LEU 137 CO -0.10 -0.73 0.97 0.00 0.23 0.00 0.00 176.35 176.72 1nws n ALA 138 N 6.50 4.68 -2.58 4.21 0.00 0.35 -1.40 120.51 132.27 1nws n ALA 138 Ca 0.08 -4.62 -0.42 0.00 0.00 0.00 0.00 53.44 48.48 1nws n ALA 138 Cb 0.48 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1nws n ALA 138 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nws s TRP 139 N -3.46 2.57 -0.52 0.00 -0.11 -1.26 -0.63 118.94 115.53 1nws s TRP 139 Ca 0.49 0.34 0.02 0.00 1.22 0.00 0.00 56.10 58.17 1nws s TRP 139 Cb 0.30 -4.52 0.13 0.00 -1.50 0.00 0.00 33.47 27.89 1nws s TRP 139 CO -0.15 -1.64 0.28 -0.51 -4.62 0.00 0.00 176.95 170.31 1nws s LEU 140 N 5.01 4.57 0.10 5.86 1.43 -1.26 -3.90 118.68 130.49 1nws s LEU 140 Ca 0.41 -2.88 -0.02 0.00 -1.03 0.00 0.00 54.13 50.62 1nws s LEU 140 Cb -0.08 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1nws s LEU 140 CO 0.24 -0.28 0.03 -0.31 0.23 0.00 0.00 176.35 176.26 1nws s TYR 141 N -0.11 0.68 1.04 0.29 1.51 -1.26 -4.64 117.35 114.86 1nws s TYR 141 Ca 0.16 -1.13 -0.12 0.00 -1.01 0.00 0.00 57.07 54.98 1nws s TYR 141 Cb -0.24 -0.42 0.21 0.00 -0.11 0.00 0.00 41.96 41.41 1nws s TYR 141 CO -0.02 -0.47 1.07 -2.14 -1.11 0.00 0.00 175.55 172.89 1nws s PRO 142 N -3.99 0.09 0.55 -1.71 0.02 -1.25 -4.83 135.00 123.88 1nws s PRO 142 Ca 0.16 1.01 0.06 0.00 0.02 0.00 0.00 61.00 62.25 1nws s PRO 142 Cb 0.07 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.98 1nws s PRO 142 CO -0.04 -3.09 0.42 0.20 -0.33 0.00 0.00 177.00 174.16 1nws s GLY 143 N -2.79 2.35 0.43 0.52 0.00 -1.26 -4.78 107.32 101.80 1nws s GLY 143 Ca 0.67 -1.28 0.10 0.00 0.00 0.00 0.00 44.72 44.21 1nws s GLY 143 CO 0.61 -1.93 2.05 3.21 0.00 0.00 0.00 173.10 177.04 1nws h ARG 144 N 0.72 0.42 0.00 2.90 3.08 -1.96 -1.22 114.38 118.33 1nws h ARG 144 Ca -0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1nws h ARG 144 Cb 1.30 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1nws h ARG 144 CO 0.56 0.28 0.00 2.89 -1.07 0.00 0.00 179.97 182.63 1nws n ARG 145 N -4.48 0.20 0.00 0.04 0.00 -1.26 -3.35 116.66 107.81 1nws n ARG 145 Ca 0.04 0.10 0.06 0.00 -0.00 0.00 0.00 57.85 58.04 1nws n ARG 145 Cb 0.14 -1.50 0.03 0.00 -0.00 0.00 0.00 32.46 31.13 1nws n ARG 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nws n ASP 146 N -1.37 1.65 -0.33 2.89 8.00 -0.46 -4.71 116.55 122.22 1nws n ASP 146 Ca 0.09 -1.32 0.17 0.00 0.71 0.00 0.00 54.79 54.43 1nws n ASP 146 Cb 0.21 0.22 0.34 0.00 -0.02 0.00 0.00 41.12 41.87 1nws n ASP 146 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nws h LYS 147 N 1.79 0.06 0.21 -1.24 3.64 -1.55 0.20 116.57 119.68 1nws h LYS 147 Ca 0.00 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1nws h LYS 147 Cb 0.43 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1nws h LYS 147 CO 0.00 0.04 -1.28 1.96 -2.27 0.00 0.00 179.45 177.90 1nws h GLN 148 N 0.06 0.45 -0.90 1.90 7.50 -1.87 -3.04 115.11 119.21 1nws h GLN 148 Ca 0.63 -0.77 0.08 0.00 0.50 0.00 0.00 58.65 59.10 1nws h GLN 148 Cb 1.38 0.28 -0.07 0.00 0.05 0.00 0.00 27.48 29.12 1nws h GLN 148 CO -0.82 1.37 0.55 0.45 -1.50 0.00 0.00 178.83 178.87 1nws h HIS 149 N -0.04 1.01 -0.67 2.96 3.86 -1.45 0.15 115.15 120.96 1nws h HIS 149 Ca -0.23 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1nws h HIS 149 Cb 1.98 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 30.10 1nws h HIS 149 CO 0.15 0.46 0.33 0.35 0.86 0.00 0.00 177.93 180.08 1nws h PHE 150 N 0.95 0.94 0.39 2.45 3.57 -0.74 0.64 116.94 125.14 1nws h PHE 150 Ca 0.41 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1nws h PHE 150 Cb 0.29 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1nws h PHE 150 CO -0.03 0.69 -0.19 1.15 -2.23 0.00 0.00 178.31 177.70 1nws h THR 151 N 0.95 0.57 -0.41 4.41 2.02 -0.83 -2.53 112.91 117.10 1nws h THR 151 Ca 0.23 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 67.03 1nws h THR 151 Cb 0.09 0.78 -0.09 0.00 -1.74 0.00 0.00 68.15 67.19 1nws h THR 151 CO -0.03 0.08 -0.25 0.74 0.37 0.00 0.00 175.52 176.43 1nws h THR 152 N -0.82 0.33 -0.03 3.16 2.02 -0.50 -0.15 112.91 116.93 1nws h THR 152 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1nws h THR 152 Cb 0.54 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 1nws h THR 152 CO 0.09 0.00 -0.46 0.25 0.37 0.00 0.00 175.52 175.76 1nws h LEU 153 N -0.17 -1.43 -0.77 2.58 5.85 -0.88 0.16 115.31 120.65 1nws h LEU 153 Ca 0.19 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1nws h LEU 153 Cb 0.48 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1nws h LEU 153 CO -0.51 -0.48 0.44 0.40 -0.34 0.00 0.00 178.44 177.95 1nws h ILE 154 N -0.59 0.95 0.24 4.05 2.04 -0.98 0.10 117.51 123.31 1nws h ILE 154 Ca 0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1nws h ILE 154 Cb 0.68 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1nws h ILE 154 CO -0.35 0.14 -0.11 0.50 0.00 0.00 0.00 178.15 178.32 1nws h LYS 155 N 0.77 -0.31 -0.28 2.37 3.64 -0.24 -2.31 116.57 120.21 1nws h LYS 155 Ca 0.35 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1nws h LYS 155 Cb 0.27 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1nws h LYS 155 CO -0.21 -0.17 -0.33 0.93 -2.27 0.00 0.00 179.45 177.40 1nws h GLU 156 N -0.37 0.61 -0.83 1.90 5.08 -0.45 -2.27 114.58 118.25 1nws h GLU 156 Ca -0.03 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1nws h GLU 156 Cb 0.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1nws h GLU 156 CO 0.05 0.86 0.42 1.98 -1.00 0.00 0.00 179.01 181.32 1nws h MET 157 N 0.51 1.18 -0.31 2.33 4.05 -0.75 -1.40 114.93 120.54 1nws h MET 157 Ca 0.06 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 1nws h MET 157 Cb 0.82 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1nws h MET 157 CO 0.07 0.89 -0.16 -0.22 0.23 0.00 0.00 176.91 177.72 1nws h LYS 158 N 1.18 0.66 -0.30 0.39 1.63 -1.28 -2.29 116.57 116.56 1nws h LYS 158 Ca 0.29 -0.29 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1nws h LYS 158 Cb 0.08 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.62 1nws h LYS 158 CO -0.04 0.88 -0.28 0.00 -3.45 0.00 0.00 179.45 176.56 1nws h ALA 159 N 0.76 -0.16 -0.17 5.00 0.00 -0.85 -0.45 119.26 123.39 1nws h ALA 159 Ca 0.07 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nws h ALA 159 Cb 0.69 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1nws h ALA 159 CO 0.05 -0.70 -0.16 1.49 0.00 0.00 0.00 179.25 179.93 1nws h GLU 160 N -0.26 -0.17 -0.78 0.00 4.57 -1.20 0.32 114.58 117.05 1nws h GLU 160 Ca 0.15 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.46 1nws h GLU 160 Cb 0.50 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.05 1nws h GLU 160 CO -0.45 -0.12 0.39 0.74 -1.18 0.00 0.00 179.01 178.39 1nws h PHE 161 N -0.18 0.69 -0.31 0.92 -1.00 -0.73 0.18 116.94 116.51 1nws h PHE 161 Ca 0.11 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 1nws h PHE 161 Cb 0.35 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1nws h PHE 161 CO -0.30 0.21 0.11 0.82 -1.61 0.00 0.00 178.31 177.55 1nws h ILE 162 N 0.62 1.19 0.27 -0.55 2.04 -0.39 -2.57 117.51 118.12 1nws h ILE 162 Ca 0.40 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1nws h ILE 162 Cb 0.48 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1nws h ILE 162 CO -0.31 0.21 -0.19 0.50 0.00 0.00 0.00 178.15 178.36 1nws h LYS 163 N 0.35 -0.42 -1.77 2.37 3.64 0.18 0.18 116.57 121.10 1nws h LYS 163 Ca 0.10 0.03 0.52 0.00 -1.27 0.00 0.00 60.65 60.03 1nws h LYS 163 Cb 0.21 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 1nws h LYS 163 CO -0.01 -0.28 1.27 1.49 -2.27 0.00 0.00 179.45 179.65 1nws h GLU 164 N -0.43 0.00 -0.00 1.90 4.22 -0.69 0.88 114.58 120.45 1nws h GLU 164 Ca -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1nws h GLU 164 Cb 0.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1nws h GLU 164 CO 0.02 0.00 -0.79 0.00 -2.18 0.00 0.00 179.01 176.06 1nws n ALA 165 N -2.87 4.23 -0.35 2.92 0.00 -0.97 -4.57 120.51 118.90 1nws n ALA 165 Ca 0.40 -0.54 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1nws n ALA 165 Cb 1.82 -0.67 0.13 0.00 0.00 0.00 0.00 19.45 20.72 1nws n ALA 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1nws h GLN 166 N 0.37 -0.00 -0.98 0.00 -0.00 0.39 0.46 115.11 115.36 1nws h GLN 166 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 58.65 58.93 1nws h GLN 166 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.91 1nws h GLN 166 CO 0.00 -0.00 0.70 -1.00 -0.00 0.00 0.00 178.83 178.53 1nws h PRO 167 N -0.00 0.04 0.00 0.06 0.13 -1.81 -3.44 132.00 126.98 1nws h PRO 167 Ca 0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1nws h PRO 167 Cb 0.70 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1nws h PRO 167 CO -1.01 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 177.20 1nws n GLY 168 N -1.71 -0.11 3.95 1.56 0.00 0.16 -5.17 105.19 103.87 1nws n GLY 168 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1nws n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nws s LYS 169 N 0.00 1.76 -0.45 1.61 1.02 -0.80 -5.00 119.74 117.88 1nws s LYS 169 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 1nws s LYS 169 Cb 0.00 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1nws s LYS 169 CO 0.00 -1.50 1.12 0.21 -0.92 0.00 0.00 175.35 174.27 1nws s LYS 170 N -5.31 3.78 0.22 1.68 2.20 -1.26 -4.87 119.74 116.17 1nws s LYS 170 Ca 0.64 0.65 -0.32 0.00 -0.36 0.00 0.00 55.97 56.58 1nws s LYS 170 Cb -0.08 -3.88 -0.14 0.00 -1.51 0.00 0.00 37.83 32.22 1nws s LYS 170 CO 0.46 -1.30 1.37 0.94 -0.36 0.00 0.00 175.35 176.46 1nws n GLN 171 N 7.67 1.86 -2.06 4.03 7.27 -1.26 -4.93 117.38 129.96 1nws n GLN 171 Ca 0.12 0.66 -0.40 0.00 0.07 0.00 0.00 57.00 57.45 1nws n GLN 171 Cb 0.49 -2.30 -0.01 0.00 2.41 0.00 0.00 30.24 30.83 1nws n GLN 171 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nws s LEU 172 N 0.26 4.28 0.31 1.69 1.43 -1.26 -4.97 118.68 120.42 1nws s LEU 172 Ca 0.70 2.68 -0.21 0.00 -1.03 0.00 0.00 54.13 56.27 1nws s LEU 172 Cb -0.69 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 41.62 1nws s LEU 172 CO 0.49 -0.75 0.84 -0.76 0.23 0.00 0.00 176.35 176.40 1nws s LEU 173 N -2.22 4.21 -0.13 1.79 1.43 0.27 -4.92 118.68 119.12 1nws s LEU 173 Ca 0.54 1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 1nws s LEU 173 Cb -0.39 -4.00 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1nws s LEU 173 CO 0.51 -0.12 -0.05 -0.22 0.23 0.00 0.00 176.35 176.70 1nws s LEU 174 N -2.41 1.23 0.35 1.79 2.96 -1.26 -0.05 118.68 121.29 1nws s LEU 174 Ca 0.51 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1nws s LEU 174 Cb -0.15 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1nws s LEU 174 CO 0.20 -0.17 0.10 -0.94 -1.32 0.00 0.00 176.35 174.22 1nws s SER 175 N 1.74 2.32 -0.13 3.68 1.04 -0.52 -0.72 113.70 121.11 1nws s SER 175 Ca 0.03 -1.52 -0.14 0.00 0.48 0.00 0.00 55.95 54.80 1nws s SER 175 Cb -0.14 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1nws s SER 175 CO -0.07 -0.79 0.39 0.00 0.98 0.00 0.00 173.24 173.74 1nws s ALA 176 N -3.35 -0.96 -0.25 5.32 0.00 -1.18 -0.47 121.76 120.87 1nws s ALA 176 Ca 0.31 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1nws s ALA 176 Cb 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1nws s ALA 176 CO 0.15 -0.20 0.42 0.00 0.00 0.00 0.00 175.76 176.14 1nws s ALA 177 N 0.00 3.57 0.09 0.00 0.00 -0.50 -0.97 121.76 123.95 1nws s ALA 177 Ca -0.02 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.35 1nws s ALA 177 Cb -0.03 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1nws s ALA 177 CO 0.01 -0.60 -0.17 -0.51 0.00 0.00 0.00 175.76 174.49 1nws s LEU 178 N 1.96 2.71 0.48 0.00 1.43 0.81 -4.67 118.68 121.40 1nws s LEU 178 Ca 0.18 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1nws s LEU 178 Cb -0.15 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 1nws s LEU 178 CO 0.09 0.20 1.29 -0.55 0.23 0.00 0.00 176.35 177.62 1nws s SER 179 N -1.92 5.83 0.00 2.29 0.15 -1.26 -0.55 113.70 118.23 1nws s SER 179 Ca 0.17 2.61 0.23 0.00 0.70 0.00 0.00 55.95 59.66 1nws s SER 179 Cb -0.11 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.76 1nws s SER 179 CO 0.09 -1.18 1.23 0.00 1.20 0.00 0.00 173.24 174.59 1nws n ALA 180 N -0.54 2.46 -2.67 5.45 0.00 -1.25 -4.69 120.51 119.28 1nws n ALA 180 Ca 0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1nws n ALA 180 Cb 0.45 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1nws n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nws s GLY 181 N -1.92 2.47 0.22 0.00 0.00 -1.26 -4.71 107.32 102.11 1nws s GLY 181 Ca 0.27 0.44 -0.08 0.00 0.00 0.00 0.00 44.72 45.35 1nws s GLY 181 CO 0.29 1.89 1.73 1.70 0.00 0.00 0.00 173.10 178.71 1nws h LYS 182 N 7.05 0.37 -0.14 2.90 3.64 -1.91 -0.74 116.57 127.73 1nws h LYS 182 Ca -0.34 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1nws h LYS 182 Cb 1.17 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1nws h LYS 182 CO 0.83 0.24 -0.22 0.28 -2.27 0.00 0.00 179.45 178.32 1nws h VAL 183 N 0.38 0.46 -0.28 2.00 2.07 -2.00 -0.67 116.25 118.21 1nws h VAL 183 Ca 0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1nws h VAL 183 Cb 0.46 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1nws h VAL 183 CO -0.35 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.10 1nws h THR 184 N -0.27 1.16 -0.81 2.57 2.02 -1.83 -2.08 112.91 113.67 1nws h THR 184 Ca 0.10 -0.49 0.10 0.00 0.77 0.00 0.00 66.41 66.90 1nws h THR 184 Cb 0.42 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 1nws h THR 184 CO -0.30 0.17 0.45 0.40 0.37 0.00 0.00 175.52 176.61 1nws h ILE 185 N 0.31 0.88 -0.44 3.11 2.04 -0.79 0.31 117.51 122.94 1nws h ILE 185 Ca 0.10 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1nws h ILE 185 Cb 0.15 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1nws h ILE 185 CO -0.01 0.14 0.00 0.44 0.00 0.00 0.00 178.15 178.72 1nws h ASP 186 N 0.74 0.75 0.28 1.72 3.32 -0.89 -2.67 116.42 119.68 1nws h ASP 186 Ca 0.39 -0.30 -0.33 0.00 0.02 0.00 0.00 57.03 56.81 1nws h ASP 186 Cb 0.39 -0.20 0.04 0.00 0.22 0.00 0.00 39.33 39.77 1nws h ASP 186 CO -0.26 0.87 -1.44 0.77 -1.72 0.00 0.00 179.24 177.46 1nws h SER 187 N 0.61 0.82 0.00 6.45 4.64 -0.83 -3.41 113.55 121.83 1nws h SER 187 Ca 0.12 -0.87 -0.01 0.00 -0.47 0.00 0.00 61.79 60.57 1nws h SER 187 Cb 0.49 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1nws h SER 187 CO 0.02 1.68 -1.82 -1.20 -0.87 0.00 0.00 176.83 174.64 1nws n SER 188 N -3.71 0.95 -4.50 4.97 7.64 0.11 -4.20 113.62 114.87 1nws n SER 188 Ca -0.16 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.40 1nws n SER 188 Cb 1.09 1.78 -0.12 0.00 -1.01 0.00 0.00 64.21 65.95 1nws n SER 188 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nws s TYR 189 N -3.20 2.72 -0.78 1.43 2.02 -1.01 -4.20 117.35 114.34 1nws s TYR 189 Ca -0.07 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1nws s TYR 189 Cb 0.11 -1.59 0.29 0.00 -0.40 0.00 0.00 41.96 40.37 1nws s TYR 189 CO 0.73 0.25 1.08 -3.47 -1.57 0.00 0.00 175.55 172.57 1nws n ASP 190 N 1.94 4.93 -0.29 2.29 -0.08 -1.26 -4.75 116.55 119.32 1nws n ASP 190 Ca -0.16 -3.51 -0.00 0.00 -1.51 0.00 0.00 54.79 49.60 1nws n ASP 190 Cb 0.52 -0.85 0.04 0.00 2.34 0.00 0.00 41.12 43.17 1nws n ASP 190 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1nws n ILE 191 N 0.68 -0.40 0.01 5.18 2.08 -1.26 -1.50 119.36 124.14 1nws n ILE 191 Ca 0.31 1.79 -0.10 0.00 0.56 0.00 0.00 62.75 65.30 1nws n ILE 191 Cb 0.37 -2.37 -0.04 0.00 -0.75 0.00 0.00 39.64 36.85 1nws n ILE 191 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nws h ALA 192 N 1.10 -0.33 0.75 -1.39 0.00 -1.79 -0.92 119.26 116.67 1nws h ALA 192 Ca 0.28 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1nws h ALA 192 Cb 0.47 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1nws h ALA 192 CO -0.76 -0.77 -0.36 -0.22 0.00 0.00 0.00 179.25 177.14 1nws h LYS 193 N -0.38 -0.97 0.00 0.00 1.63 -1.61 -3.20 116.57 112.04 1nws h LYS 193 Ca 0.09 0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1nws h LYS 193 Cb 0.52 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1nws h LYS 193 CO -0.33 -0.64 -0.19 -0.84 -3.45 0.00 0.00 179.45 174.00 1nws h ILE 194 N -1.05 0.93 -0.01 2.00 3.07 -1.42 -2.64 117.51 118.39 1nws h ILE 194 Ca -0.10 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1nws h ILE 194 Cb 0.78 1.39 -0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1nws h ILE 194 CO 0.17 0.18 0.01 0.28 -1.05 0.00 0.00 178.15 177.75 1nws h SER 195 N 0.00 0.00 0.07 2.16 0.02 -1.15 -1.87 113.55 112.78 1nws h SER 195 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1nws h SER 195 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1nws h SER 195 CO 0.02 0.00 -0.03 1.56 -1.14 0.00 0.00 176.83 177.24 1nws h GLN 196 N 0.00 -0.09 -0.02 3.45 4.20 -1.56 -3.34 115.11 117.75 1nws h GLN 196 Ca 0.00 0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 1nws h GLN 196 Cb 0.03 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1nws h GLN 196 CO -0.00 0.40 -0.71 0.45 -0.67 0.00 0.00 178.83 178.30 1nws h HIS 197 N -0.63 0.15 -4.00 2.96 3.86 -1.57 -3.45 115.15 112.47 1nws h HIS 197 Ca -0.01 -0.07 -0.48 0.00 -1.16 0.00 0.00 60.37 58.65 1nws h HIS 197 Cb 0.53 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 28.99 1nws h HIS 197 CO 0.10 0.78 0.40 -0.51 0.86 0.00 0.00 177.93 179.56 1nws s LEU 198 N -7.57 4.05 0.12 2.43 1.43 -0.75 -4.90 118.68 113.49 1nws s LEU 198 Ca -0.02 1.98 0.13 0.00 -1.03 0.00 0.00 54.13 55.18 1nws s LEU 198 Cb 0.12 -4.31 -0.12 0.00 0.03 0.00 0.00 46.19 41.90 1nws s LEU 198 CO 0.79 -0.55 1.09 0.44 0.23 0.00 0.00 176.35 178.35 1nws h ASP 199 N 2.21 0.00 -4.35 2.29 3.32 -1.25 -3.48 116.42 115.16 1nws h ASP 199 Ca -0.49 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.64 1nws h ASP 199 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1nws h ASP 199 CO 0.61 0.76 0.50 0.72 -1.72 0.00 0.00 179.24 180.12 1nws s PHE 200 N -2.81 -0.38 -0.08 4.55 -0.12 -1.25 -4.82 117.98 113.08 1nws s PHE 200 Ca -0.00 0.55 0.05 0.00 -0.05 0.00 0.00 56.93 57.47 1nws s PHE 200 Cb 0.09 0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1nws s PHE 200 CO 0.80 -0.42 -0.22 0.42 -0.05 0.00 0.00 175.22 175.75 1nws s ILE 201 N -1.72 1.88 -0.36 -4.49 1.01 -0.13 -3.07 121.20 114.32 1nws s ILE 201 Ca -0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1nws s ILE 201 Cb -0.01 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1nws s ILE 201 CO -0.01 0.52 0.21 -0.44 0.00 0.00 0.00 174.94 175.22 1nws s SER 202 N 0.18 5.74 -0.40 3.58 0.01 -0.15 -0.35 113.70 122.31 1nws s SER 202 Ca -0.12 -0.88 -0.23 0.00 1.31 0.00 0.00 55.95 56.04 1nws s SER 202 Cb -0.16 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1nws s SER 202 CO 0.06 -0.35 0.75 -0.51 0.41 0.00 0.00 173.24 173.60 1nws s ILE 203 N 1.58 4.73 -0.79 1.44 2.07 -0.24 -0.14 121.20 129.85 1nws s ILE 203 Ca 0.03 0.59 -0.22 0.00 -1.41 0.00 0.00 60.65 59.64 1nws s ILE 203 Cb -0.19 -4.24 -0.16 0.00 0.13 0.00 0.00 42.46 38.01 1nws s ILE 203 CO 0.07 -0.55 1.92 0.23 -1.91 0.00 0.00 174.94 174.70 1nws n MET 204 N 6.48 1.49 -1.72 3.50 2.81 0.28 -1.44 117.12 128.53 1nws n MET 204 Ca 0.02 -1.89 -0.42 0.00 -1.81 0.00 0.00 57.70 53.60 1nws n MET 204 Cb 0.48 -2.98 -0.00 0.00 -0.71 0.00 0.00 33.22 30.01 1nws n MET 204 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nws n THR 205 N 6.16 3.43 -3.77 2.03 -2.24 -1.26 -3.77 114.28 114.85 1nws n THR 205 Ca 0.49 -2.99 -0.04 0.00 -2.27 0.00 0.00 64.05 59.24 1nws n THR 205 Cb 0.41 -2.61 0.02 0.00 -2.10 0.00 0.00 70.33 66.05 1nws n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nws n TYR 206 N 6.12 -1.52 -2.82 4.78 0.18 -1.26 -4.78 117.16 117.87 1nws n TYR 206 Ca 0.52 -1.22 -0.20 0.00 1.88 0.00 0.00 57.90 58.88 1nws n TYR 206 Cb 0.39 0.60 0.02 0.00 -0.38 0.00 0.00 39.34 39.97 1nws n TYR 206 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1nws n ASP 207 N -1.26 -5.62 0.13 9.48 8.00 -0.36 -4.88 116.55 122.03 1nws n ASP 207 Ca -0.04 -0.21 0.13 0.00 0.71 0.00 0.00 54.79 55.38 1nws n ASP 207 Cb 0.49 -4.49 0.31 0.00 -0.02 0.00 0.00 41.12 37.40 1nws n ASP 207 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1nws h PHE 208 N -0.99 0.00 -3.98 1.24 0.04 -1.10 -3.46 116.94 108.69 1nws h PHE 208 Ca -0.47 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.19 1nws h PHE 208 Cb 1.33 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.33 1nws h PHE 208 CO 0.48 0.00 -0.52 -1.58 -0.60 0.00 0.00 178.31 176.09 1nws s HIS 209 N -3.14 0.30 0.19 -0.55 2.46 -1.26 -4.92 115.29 108.37 1nws s HIS 209 Ca 0.09 -0.76 -0.22 0.00 0.47 0.00 0.00 55.06 54.64 1nws s HIS 209 Cb 0.11 -0.20 0.07 0.00 -0.13 0.00 0.00 32.58 32.43 1nws s HIS 209 CO 0.64 -0.45 1.01 0.20 -2.47 0.00 0.00 174.74 173.66 1nws s GLY 210 N -2.77 0.07 0.62 1.59 0.00 -1.26 -4.61 107.32 100.96 1nws s GLY 210 Ca 0.04 -0.28 0.34 0.00 0.00 0.00 0.00 44.72 44.82 1nws s GLY 210 CO -0.10 1.76 2.28 0.00 0.00 0.00 0.00 173.10 177.05 1nws h ALA 211 N 2.00 1.38 0.00 3.20 0.00 -1.87 -2.45 119.26 121.51 1nws h ALA 211 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nws h ALA 211 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1nws h ALA 211 CO 0.34 -0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.91 1nws n TRP 212 N -3.60 0.00 -0.70 0.00 4.27 -1.26 -1.97 117.44 114.18 1nws n TRP 212 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1nws n TRP 212 Cb 0.09 -0.05 0.00 0.00 -1.36 0.00 0.00 31.31 29.99 1nws n TRP 212 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1nws n ARG 213 N 0.26 0.04 -0.75 -2.67 1.74 -0.92 -5.04 116.66 109.32 1nws n ARG 213 Ca 0.00 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1nws n ARG 213 Cb 0.12 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 1nws n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nws n GLY 214 N -0.04 0.26 3.08 -0.13 0.00 -0.83 -4.95 105.19 102.58 1nws n GLY 214 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1nws n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nws s THR 215 N -1.72 0.22 0.59 2.61 -4.23 -1.26 -3.25 115.64 108.59 1nws s THR 215 Ca 0.00 -1.76 -0.17 0.00 -1.18 0.00 0.00 61.69 58.59 1nws s THR 215 Cb 0.00 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 1nws s THR 215 CO 0.00 -0.97 1.09 0.42 -0.54 0.00 0.00 174.62 174.62 1nws s THR 216 N -3.77 3.49 -0.30 3.99 -4.23 -0.20 -4.81 115.64 109.82 1nws s THR 216 Ca 0.06 0.77 -0.24 0.00 -1.18 0.00 0.00 61.69 61.10 1nws s THR 216 Cb 0.07 -3.28 0.18 0.00 1.34 0.00 0.00 72.50 70.81 1nws s THR 216 CO -0.09 -0.35 1.38 -0.83 -0.54 0.00 0.00 174.62 174.18 1nws s GLY 217 N -2.41 0.31 0.14 3.99 0.00 -1.26 -1.64 107.32 106.46 1nws s GLY 217 Ca 0.67 3.45 -0.31 0.00 0.00 0.00 0.00 44.72 48.53 1nws s GLY 217 CO 0.34 2.00 1.31 -1.58 0.00 0.00 0.00 173.10 175.16 1nws s HIS 218 N 0.14 3.30 -1.50 1.90 5.65 -1.26 -4.72 115.29 118.79 1nws s HIS 218 Ca 0.06 1.16 0.28 0.00 0.25 0.00 0.00 55.06 56.81 1nws s HIS 218 Cb -0.05 -3.58 1.14 0.00 -1.18 0.00 0.00 32.58 28.91 1nws s HIS 218 CO -0.14 -1.88 1.81 -2.39 -0.65 0.00 0.00 174.74 171.49 1nws n HIS 219 N 3.30 0.00 -3.10 3.88 -0.00 -1.26 -4.29 115.22 113.75 1nws n HIS 219 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.63 1nws n HIS 219 Cb 0.43 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.99 30.18 1nws n HIS 219 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nws n SER 220 N -1.07 0.06 -4.82 4.39 2.88 -1.26 -0.50 113.62 113.30 1nws n SER 220 Ca 0.13 -3.08 -0.33 0.00 -1.33 0.00 0.00 58.87 54.26 1nws n SER 220 Cb 0.29 -0.12 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 1nws n SER 220 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nws s PRO 221 N -1.66 4.08 -0.07 -1.46 0.04 -1.26 -4.89 135.00 129.78 1nws s PRO 221 Ca 0.36 1.15 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 1nws s PRO 221 Cb 0.30 -2.15 -0.15 0.00 0.04 0.00 0.00 34.50 32.54 1nws s PRO 221 CO -0.09 -0.17 0.75 1.25 0.04 0.00 0.00 177.00 178.79 1nws h LEU 222 N 1.67 -0.15 -9.91 -3.56 5.85 -1.65 0.19 115.31 107.74 1nws h LEU 222 Ca -0.49 -0.38 -0.61 0.00 0.84 0.00 0.00 57.88 57.24 1nws h LEU 222 Cb 1.19 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 1nws h LEU 222 CO 0.61 0.45 -0.51 -0.36 -0.34 0.00 0.00 178.44 178.28 1nws s PHE 223 N -3.06 2.32 0.19 1.25 0.08 -1.24 0.96 117.98 118.48 1nws s PHE 223 Ca -0.12 -0.72 -0.09 0.00 0.12 0.00 0.00 56.93 56.12 1nws s PHE 223 Cb -0.00 -1.83 0.11 0.00 -0.57 0.00 0.00 43.02 40.73 1nws s PHE 223 CO 0.44 0.20 1.72 -0.09 -0.10 0.00 0.00 175.22 177.39 1nws h ARG 224 N 1.44 1.09 0.00 0.44 2.43 -1.91 -3.41 114.38 114.46 1nws h ARG 224 Ca -0.43 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1nws h ARG 224 Cb 1.27 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1nws h ARG 224 CO 0.73 0.95 0.00 0.41 -1.51 0.00 0.00 179.97 180.54 1nws n GLY 225 N -0.72 -1.67 3.55 2.80 0.00 -1.23 -4.83 105.19 103.09 1nws n GLY 225 Ca 0.05 -1.36 -0.64 0.00 0.00 0.00 0.00 46.02 44.07 1nws n GLY 225 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nws n GLN 226 N 0.00 0.06 -0.32 1.61 7.27 -1.26 -4.80 117.38 119.93 1nws n GLN 226 Ca 0.00 0.02 0.03 0.00 0.07 0.00 0.00 57.00 57.12 1nws n GLN 226 Cb 0.00 -1.54 0.17 0.00 2.41 0.00 0.00 30.24 31.28 1nws n GLN 226 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nws h GLU 227 N 6.78 0.93 0.22 3.69 4.22 -1.96 -2.95 114.58 125.52 1nws h GLU 227 Ca -0.30 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.09 1nws h GLU 227 Cb 1.39 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1nws h GLU 227 CO 1.02 0.61 -0.35 -0.44 -2.18 0.00 0.00 179.01 177.68 1nws h ASP 228 N 0.95 -0.99 0.00 1.04 3.32 -1.99 -3.20 116.42 115.56 1nws h ASP 228 Ca 0.41 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1nws h ASP 228 Cb 0.27 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1nws h ASP 228 CO -0.21 -0.46 0.00 0.00 -1.72 0.00 0.00 179.24 176.85 1nws n ALA 229 N -2.70 1.81 -2.71 3.45 0.00 -1.11 -4.83 120.51 114.41 1nws n ALA 229 Ca -0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1nws n ALA 229 Cb 0.35 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 1nws n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nws s SER 230 N -1.85 1.46 -0.00 0.00 1.04 -1.21 -4.90 113.70 108.23 1nws s SER 230 Ca 0.06 -0.51 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 1nws s SER 230 Cb 0.03 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 1nws s SER 230 CO 0.05 -0.05 0.20 1.55 0.98 0.00 0.00 173.24 175.97 1nws h PRO 231 N 4.68 -0.01 -7.38 4.02 0.13 -1.89 -3.47 132.00 128.07 1nws h PRO 231 Ca -0.38 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.26 1nws h PRO 231 Cb 1.19 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 1nws h PRO 231 CO 0.42 -0.01 0.33 -0.51 -0.23 0.00 0.00 178.00 178.01 1nws s ASP 232 N -2.89 4.54 0.00 1.44 1.11 -1.26 -4.95 116.67 114.67 1nws s ASP 232 Ca -0.00 1.42 0.11 0.00 0.18 0.00 0.00 52.55 54.26 1nws s ASP 232 Cb 0.00 -2.18 0.06 0.00 1.07 0.00 0.00 42.92 41.87 1nws s ASP 232 CO 0.00 -1.95 0.79 0.54 1.18 0.00 0.00 175.17 175.73 1nws n ARG 233 N -3.43 0.95 -0.00 8.23 1.74 -1.26 -4.56 116.66 118.32 1nws n ARG 233 Ca 0.07 -1.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.18 1nws n ARG 233 Cb 0.55 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.77 1nws n ARG 233 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1nws n PHE 234 N 0.38 0.00 -0.95 -1.55 3.72 -1.26 -4.82 117.46 112.98 1nws n PHE 234 Ca 0.06 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 1nws n PHE 234 Cb 0.26 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1nws n PHE 234 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nws n SER 235 N -1.73 5.06 -3.46 4.37 7.64 -1.26 -4.48 113.62 119.76 1nws n SER 235 Ca -0.01 -2.45 -0.14 0.00 1.01 0.00 0.00 58.87 57.28 1nws n SER 235 Cb 0.18 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 1nws n SER 235 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nws s ASN 236 N 3.48 -0.58 0.08 6.43 2.20 -1.26 -4.75 114.94 120.54 1nws s ASN 236 Ca 0.48 0.19 -0.36 0.00 -0.94 0.00 0.00 52.86 52.23 1nws s ASN 236 Cb 0.12 0.58 -0.18 0.00 -2.00 0.00 0.00 41.25 39.77 1nws s ASN 236 CO -0.02 -0.86 1.57 0.74 -2.94 0.00 0.00 177.10 175.59 1nws h THR 237 N 2.31 0.03 -0.78 0.54 2.02 -0.55 -3.01 112.91 113.48 1nws h THR 237 Ca -0.32 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.02 1nws h THR 237 Cb 1.26 0.03 -0.15 0.00 -1.74 0.00 0.00 68.15 67.55 1nws h THR 237 CO 0.39 0.00 -0.17 -0.78 0.37 0.00 0.00 175.52 175.33 1nws h ASP 238 N -1.04 -0.67 -0.01 4.18 3.58 0.37 -1.38 116.42 121.45 1nws h ASP 238 Ca -0.07 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1nws h ASP 238 Cb 0.89 0.47 -0.02 0.00 1.72 0.00 0.00 39.33 42.38 1nws h ASP 238 CO -0.02 -0.25 -0.11 0.22 -2.88 0.00 0.00 179.24 176.20 1nws h TYR 239 N 0.01 -0.28 -0.08 0.28 3.20 -1.78 -2.23 116.97 116.08 1nws h TYR 239 Ca 0.38 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.29 1nws h TYR 239 Cb 0.60 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1nws h TYR 239 CO -0.59 -0.17 -0.09 0.00 -1.64 0.00 0.00 178.16 175.67 1nws h ALA 240 N 0.79 -0.02 0.22 1.82 0.00 -1.15 0.37 119.26 121.28 1nws h ALA 240 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nws h ALA 240 Cb 0.24 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1nws h ALA 240 CO -0.12 -0.55 -0.47 0.28 0.00 0.00 0.00 179.25 178.39 1nws h VAL 241 N -0.11 0.08 -0.53 0.00 2.07 -1.25 0.11 116.25 116.62 1nws h VAL 241 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1nws h VAL 241 Cb 0.20 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1nws h VAL 241 CO -0.15 0.00 0.29 1.23 0.02 0.00 0.00 177.57 178.95 1nws h GLY 242 N -0.78 0.75 0.90 2.17 0.00 -1.23 0.12 103.07 105.00 1nws h GLY 242 Ca -0.01 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1nws h GLY 242 CO -0.21 0.14 0.47 -1.82 0.00 0.00 0.00 176.54 175.13 1nws h TYR 243 N 0.55 0.89 -0.28 5.60 3.20 0.09 -0.92 116.97 126.11 1nws h TYR 243 Ca 0.23 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 1nws h TYR 243 Cb 0.11 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1nws h TYR 243 CO -0.09 0.52 -0.35 1.98 -1.64 0.00 0.00 178.16 178.58 1nws h MET 244 N 0.93 0.61 -0.45 1.82 4.05 -0.13 -1.15 114.93 120.61 1nws h MET 244 Ca 0.29 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1nws h MET 244 Cb -0.01 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1nws h MET 244 CO -0.10 0.87 -0.05 -0.07 0.23 0.00 0.00 176.91 177.80 1nws h LEU 245 N 0.51 0.74 -0.54 3.39 3.38 -0.32 -2.23 115.31 120.24 1nws h LEU 245 Ca 0.05 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 1nws h LEU 245 Cb 0.85 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1nws h LEU 245 CO 0.07 0.84 -0.72 -0.09 0.09 0.00 0.00 178.44 178.62 1nws h ARG 246 N 0.70 0.08 0.00 1.13 2.43 -0.91 -2.82 114.38 114.99 1nws h ARG 246 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1nws h ARG 246 Cb 0.50 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1nws h ARG 246 CO 0.03 0.77 0.00 1.28 -1.51 0.00 0.00 179.97 180.53 1nws n LEU 247 N -3.72 0.00 0.00 3.80 4.77 -0.46 -4.82 117.00 116.57 1nws n LEU 247 Ca -0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1nws n LEU 247 Cb 0.70 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1nws n LEU 247 CO 0.44 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1nws n GLY 248 N 0.02 1.13 3.64 -0.72 0.00 -1.06 -3.16 105.19 105.04 1nws n GLY 248 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1nws n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 249 N -2.00 3.59 0.29 4.61 0.00 -0.86 -4.59 121.76 122.80 1nws s ALA 249 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1nws s ALA 249 Cb 0.00 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 1nws s ALA 249 CO 0.00 -1.22 1.53 -2.14 0.00 0.00 0.00 175.76 173.93 1nws s PRO 250 N 3.31 4.17 0.38 0.00 0.02 -1.26 -4.38 135.00 137.24 1nws s PRO 250 Ca 0.42 2.48 0.07 0.00 0.02 0.00 0.00 61.00 63.99 1nws s PRO 250 Cb -0.14 -3.05 0.80 0.00 0.02 0.00 0.00 34.50 32.13 1nws s PRO 250 CO 0.11 -0.55 1.98 0.00 -0.33 0.00 0.00 177.00 178.21 1nws h ALA 251 N 4.74 1.75 0.00 -1.55 0.00 -1.93 -0.52 119.26 121.75 1nws h ALA 251 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nws h ALA 251 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nws h ALA 251 CO 0.77 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.84 1nws h SER 252 N 0.67 0.00 -0.34 0.00 4.64 -1.90 -1.12 113.55 115.51 1nws h SER 252 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nws h SER 252 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1nws h SER 252 CO -0.08 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.17 1nws n LYS 253 N -2.69 2.45 -3.84 4.77 5.02 -0.23 -4.20 118.16 119.45 1nws n LYS 253 Ca 0.00 -1.99 -0.36 0.00 -2.02 0.00 0.00 58.31 53.94 1nws n LYS 253 Cb 0.20 -1.31 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 1nws n LYS 253 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nws s LEU 254 N -1.02 3.29 -0.18 -0.35 2.96 -0.84 -0.95 118.68 121.58 1nws s LEU 254 Ca 0.25 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1nws s LEU 254 Cb 0.14 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1nws s LEU 254 CO 0.18 -0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.48 1nws s VAL 255 N 1.48 3.76 -0.25 1.68 1.01 0.53 -0.92 120.40 127.68 1nws s VAL 255 Ca 0.05 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1nws s VAL 255 Cb -0.15 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1nws s VAL 255 CO 0.02 0.46 0.55 -0.32 0.00 0.00 0.00 175.10 175.80 1nws s MET 256 N 0.78 4.09 0.18 2.72 1.75 -0.32 -1.08 119.30 127.43 1nws s MET 256 Ca -0.01 0.40 -0.30 0.00 -1.25 0.00 0.00 55.69 54.53 1nws s MET 256 Cb -0.14 -3.64 -0.08 0.00 2.84 0.00 0.00 34.83 33.81 1nws s MET 256 CO 0.02 -0.34 1.13 0.20 -0.65 0.00 0.00 175.02 175.38 1nws s GLY 257 N 1.48 2.80 -0.07 2.11 0.00 -0.52 -0.17 107.32 112.95 1nws s GLY 257 Ca 0.23 0.86 0.03 0.00 0.00 0.00 0.00 44.72 45.84 1nws s GLY 257 CO 0.09 1.72 -0.17 -0.42 0.00 0.00 0.00 173.10 174.31 1nws s ILE 258 N -0.21 1.51 0.06 0.90 1.01 0.27 -4.17 121.20 120.56 1nws s ILE 258 Ca 0.50 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 1nws s ILE 258 Cb -0.31 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 1nws s ILE 258 CO 0.36 0.44 0.54 -2.16 0.00 0.00 0.00 174.94 174.11 1nws s PRO 259 N 0.44 4.15 -0.22 2.79 0.04 -1.26 -2.41 135.00 138.52 1nws s PRO 259 Ca -0.14 0.67 0.15 0.00 0.04 0.00 0.00 61.00 61.72 1nws s PRO 259 Cb -0.16 -3.24 0.79 0.00 0.04 0.00 0.00 34.50 31.94 1nws s PRO 259 CO 0.05 0.65 1.72 0.25 0.04 0.00 0.00 177.00 179.71 1nws n THR 260 N 1.75 2.65 -4.22 1.26 -2.24 -0.47 -4.49 114.28 108.53 1nws n THR 260 Ca -0.11 -1.44 -0.13 0.00 -2.27 0.00 0.00 64.05 60.11 1nws n THR 260 Cb 0.51 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 1nws n THR 260 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1nws s PHE 261 N -2.70 1.13 0.23 4.78 -0.71 -1.26 -0.95 117.98 118.49 1nws s PHE 261 Ca 0.53 -0.90 0.10 0.00 -1.04 0.00 0.00 56.93 55.62 1nws s PHE 261 Cb 0.40 -0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 41.54 1nws s PHE 261 CO 0.16 -0.09 -0.17 0.20 -1.34 0.00 0.00 175.22 173.97 1nws s GLY 262 N -3.13 1.61 -0.18 1.99 0.00 -0.14 -4.58 107.32 102.90 1nws s GLY 262 Ca 0.18 -1.73 -0.09 0.00 0.00 0.00 0.00 44.72 43.08 1nws s GLY 262 CO -0.00 -1.82 0.12 0.50 0.00 0.00 0.00 173.10 171.89 1nws s ARG 263 N -3.50 4.00 0.27 2.90 1.81 -0.76 -2.24 118.95 121.43 1nws s ARG 263 Ca 0.25 -0.23 0.08 0.00 -1.72 0.00 0.00 55.73 54.11 1nws s ARG 263 Cb -0.03 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 31.10 1nws s ARG 263 CO 0.10 0.39 0.13 -1.54 -0.68 0.00 0.00 175.30 173.70 1nws s SER 264 N 0.10 5.08 0.04 0.23 1.04 -0.01 -1.92 113.70 118.25 1nws s SER 264 Ca 0.08 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.02 1nws s SER 264 Cb -0.11 -1.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.88 1nws s SER 264 CO -0.01 -0.08 0.05 -0.36 0.98 0.00 0.00 173.24 173.83 1nws s PHE 265 N -2.24 0.28 -0.34 5.02 0.08 0.97 -1.69 117.98 120.06 1nws s PHE 265 Ca 0.33 -0.64 -0.09 0.00 0.12 0.00 0.00 56.93 56.65 1nws s PHE 265 Cb -0.07 -0.21 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 1nws s PHE 265 CO 0.23 -0.34 0.16 0.99 -0.10 0.00 0.00 175.22 176.16 1nws s THR 266 N -2.74 4.39 0.56 0.64 2.01 0.36 -1.42 115.64 119.44 1nws s THR 266 Ca -0.04 -0.74 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 1nws s THR 266 Cb -0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1nws s THR 266 CO -0.05 -0.09 1.36 -0.76 -0.69 0.00 0.00 174.62 174.39 1nws s LEU 267 N 1.54 3.81 0.00 4.42 1.43 0.82 -0.48 118.68 130.23 1nws s LEU 267 Ca 0.02 2.78 0.11 0.00 -1.03 0.00 0.00 54.13 56.02 1nws s LEU 267 Cb -0.18 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1nws s LEU 267 CO 0.05 -1.65 0.66 0.00 0.23 0.00 0.00 176.35 175.64 1nws n ALA 268 N -1.14 2.98 -3.00 4.21 0.00 -0.55 -4.57 120.51 118.44 1nws n ALA 268 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1nws n ALA 268 Cb 0.45 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1nws n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nws n SER 269 N -0.35 0.00 -0.15 0.00 3.41 -1.26 -5.01 113.62 110.26 1nws n SER 269 Ca 0.04 -0.62 0.15 0.00 -0.26 0.00 0.00 58.87 58.18 1nws n SER 269 Cb 0.23 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.88 1nws n SER 269 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nws n SER 270 N -1.38 0.52 -4.71 4.04 3.41 -1.26 -4.82 113.62 109.42 1nws n SER 270 Ca 0.00 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.34 1nws n SER 270 Cb 0.00 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1nws n SER 270 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nws s GLU 271 N -2.25 4.56 0.00 4.33 2.02 -1.26 -4.93 118.70 121.16 1nws s GLU 271 Ca 0.36 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.79 1nws s GLU 271 Cb 0.21 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1nws s GLU 271 CO 0.42 -0.04 0.82 0.25 0.02 0.00 0.00 175.26 176.72 1nws n THR 272 N 3.83 0.65 -2.33 3.63 -2.24 -1.26 -4.75 114.28 111.81 1nws n THR 272 Ca 0.06 -0.68 -0.21 0.00 -2.27 0.00 0.00 64.05 60.95 1nws n THR 272 Cb 0.51 0.70 0.12 0.00 -2.10 0.00 0.00 70.33 69.55 1nws n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nws n GLY 273 N -0.33 0.09 3.74 3.38 0.00 -1.26 -4.96 105.19 105.86 1nws n GLY 273 Ca 0.00 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1nws n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nws s VAL 274 N -2.77 2.26 0.00 1.61 1.01 -1.26 -2.23 120.40 119.03 1nws s VAL 274 Ca 0.57 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1nws s VAL 274 Cb -0.03 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1nws s VAL 274 CO 0.39 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1nws n GLY 275 N 2.55 0.70 3.78 4.51 0.00 -0.65 -4.95 105.19 111.13 1nws n GLY 275 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1nws n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 276 N -2.48 2.48 0.32 4.61 0.00 -0.94 -4.50 121.76 121.26 1nws s ALA 276 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 1nws s ALA 276 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1nws s ALA 276 CO 0.00 -1.34 1.37 -2.14 0.00 0.00 0.00 175.76 173.65 1nws s PRO 277 N -4.47 4.29 0.17 0.00 0.02 -1.26 -1.04 135.00 132.72 1nws s PRO 277 Ca 0.63 2.30 0.05 0.00 0.02 0.00 0.00 61.00 64.01 1nws s PRO 277 Cb -0.18 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1nws s PRO 277 CO 0.47 -0.30 -0.10 0.96 -0.33 0.00 0.00 177.00 177.70 1nws s ILE 278 N -0.89 1.29 -1.44 2.83 -4.36 -1.20 -1.49 121.20 115.94 1nws s ILE 278 Ca 0.52 -2.09 0.14 0.00 -0.26 0.00 0.00 60.65 58.95 1nws s ILE 278 Cb -0.41 -1.96 0.04 0.00 1.25 0.00 0.00 42.46 41.37 1nws s ILE 278 CO 0.53 -0.65 0.83 -1.54 0.24 0.00 0.00 174.94 174.34 1nws n SER 279 N -0.27 1.72 0.00 4.36 3.41 0.37 -4.72 113.62 118.49 1nws n SER 279 Ca -0.09 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1nws n SER 279 Cb 0.61 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1nws n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nws n GLY 280 N 0.95 -0.49 3.62 5.00 0.00 -1.25 -4.99 105.19 108.02 1nws n GLY 280 Ca 0.07 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1nws n GLY 280 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nws s PRO 281 N -1.97 0.42 0.87 1.61 0.04 -1.26 -0.49 135.00 134.21 1nws s PRO 281 Ca 0.00 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1nws s PRO 281 Cb 0.00 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.97 1nws s PRO 281 CO 0.00 -2.95 1.11 0.20 0.04 0.00 0.00 177.00 175.40 1nws s GLY 282 N -2.68 1.60 0.28 0.56 0.00 -0.68 -3.38 107.32 103.01 1nws s GLY 282 Ca 0.67 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 1nws s GLY 282 CO 0.60 0.22 1.45 -0.42 0.00 0.00 0.00 173.10 174.95 1nws s ILE 283 N -3.12 2.52 0.52 0.90 1.01 -1.26 -2.23 121.20 119.53 1nws s ILE 283 Ca 0.63 0.45 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 1nws s ILE 283 Cb -0.16 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 1nws s ILE 283 CO 0.55 0.08 0.88 -2.65 0.00 0.00 0.00 174.94 173.80 1nws n PRO 284 N 1.96 0.98 -2.22 2.79 -0.02 -1.26 -4.68 135.00 132.56 1nws n PRO 284 Ca 0.06 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 1nws n PRO 284 Cb 0.40 -2.00 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1nws n PRO 284 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nws s GLY 285 N -1.02 2.26 0.33 -1.23 0.00 -1.25 -4.86 107.32 101.55 1nws s GLY 285 Ca 0.69 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.91 1nws s GLY 285 CO 0.53 0.78 1.93 -0.09 0.00 0.00 0.00 173.10 176.25 1nws h ARG 286 N 0.82 0.84 0.00 2.90 2.43 -1.95 -2.10 114.38 117.32 1nws h ARG 286 Ca -0.48 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.41 1nws h ARG 286 Cb 1.22 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1nws h ARG 286 CO 0.58 0.56 -2.06 1.19 -1.51 0.00 0.00 179.97 178.72 1nws n PHE 287 N -4.49 0.00 0.79 2.20 3.01 -1.26 -4.54 117.46 113.16 1nws n PHE 287 Ca 0.13 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.70 1nws n PHE 287 Cb 0.24 -0.72 0.12 0.00 -0.01 0.00 0.00 39.48 39.11 1nws n PHE 287 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nws n THR 288 N -2.50 0.11 -3.49 4.37 -2.24 -1.23 -4.44 114.28 104.86 1nws n THR 288 Ca -0.21 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.25 1nws n THR 288 Cb 0.90 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1nws n THR 288 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nws n LYS 289 N -1.75 -1.11 -3.20 -0.78 5.02 -0.79 -4.87 118.16 110.67 1nws n LYS 289 Ca 0.04 0.51 0.04 0.00 -2.02 0.00 0.00 58.31 56.88 1nws n LYS 289 Cb 0.38 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1nws n LYS 289 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nws s GLU 290 N -4.34 0.45 0.20 1.97 2.12 -1.26 -4.93 118.70 112.91 1nws s GLU 290 Ca 0.02 0.84 -0.32 0.00 0.36 0.00 0.00 54.97 55.87 1nws s GLU 290 Cb -0.01 0.47 -0.15 0.00 0.26 0.00 0.00 34.13 34.70 1nws s GLU 290 CO 0.67 -0.45 1.13 0.00 -0.54 0.00 0.00 175.26 176.07 1nws n ALA 291 N 5.42 -0.62 -0.65 6.30 0.00 -1.26 -1.70 120.51 128.00 1nws n ALA 291 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1nws n ALA 291 Cb 0.52 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1nws n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nws n GLY 292 N 1.86 0.88 3.14 0.00 0.00 -0.95 -4.82 105.19 105.30 1nws n GLY 292 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1nws n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nws s THR 293 N -3.33 1.05 -0.16 2.61 2.01 -0.69 -0.83 115.64 116.30 1nws s THR 293 Ca 0.00 -1.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 1nws s THR 293 Cb 0.00 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.59 1nws s THR 293 CO 0.00 -0.06 0.39 -0.76 -0.69 0.00 0.00 174.62 173.50 1nws s LEU 294 N -1.25 -0.02 0.57 4.42 1.43 -0.95 -3.80 118.68 119.08 1nws s LEU 294 Ca 0.00 0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 53.78 1nws s LEU 294 Cb -0.08 1.26 -0.05 0.00 0.03 0.00 0.00 46.19 47.35 1nws s LEU 294 CO 0.01 -0.19 1.04 0.00 0.23 0.00 0.00 176.35 177.44 1nws s ALA 295 N 1.38 2.83 0.35 4.21 0.00 -1.26 -0.96 121.76 128.31 1nws s ALA 295 Ca -0.10 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.29 1nws s ALA 295 Cb -0.09 -3.20 0.85 0.00 0.00 0.00 0.00 23.12 20.68 1nws s ALA 295 CO -0.12 -0.66 1.84 -0.92 0.00 0.00 0.00 175.76 175.90 1nws h TYR 296 N 0.55 0.83 -0.09 0.00 3.20 0.73 0.22 116.97 122.42 1nws h TYR 296 Ca -0.47 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.32 1nws h TYR 296 Cb 1.21 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1nws h TYR 296 CO 0.60 0.25 -0.44 0.10 -1.64 0.00 0.00 178.16 177.04 1nws h TYR 297 N 0.66 0.25 -0.11 -3.82 -0.00 -1.82 -0.68 116.97 111.44 1nws h TYR 297 Ca 0.49 -0.07 -0.12 0.00 0.00 0.00 0.00 58.73 59.04 1nws h TYR 297 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 37.54 1nws h TYR 297 CO -0.00 0.61 -0.46 0.93 -0.00 0.00 0.00 178.16 179.24 1nws h GLU 298 N 0.17 0.26 -0.56 0.10 5.08 -1.01 -2.83 114.58 115.79 1nws h GLU 298 Ca 0.01 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1nws h GLU 298 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1nws h GLU 298 CO 0.07 0.67 -0.04 0.82 -1.00 0.00 0.00 179.01 179.53 1nws h ILE 299 N 0.21 1.27 -0.69 3.13 2.04 -0.08 -1.88 117.51 121.50 1nws h ILE 299 Ca 0.01 -1.18 0.12 0.00 1.00 0.00 0.00 64.86 64.81 1nws h ILE 299 Cb 0.89 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1nws h ILE 299 CO 0.07 0.42 0.46 0.00 0.00 0.00 0.00 178.15 179.10 1nws h ASP 301 N 0.46 0.59 -0.66 0.00 3.32 -1.39 -3.18 116.42 115.56 1nws h ASP 301 Ca 0.33 -0.59 0.07 0.00 0.02 0.00 0.00 57.03 56.86 1nws h ASP 301 Cb 0.65 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1nws h ASP 301 CO -0.10 1.07 0.35 0.15 -1.72 0.00 0.00 179.24 178.99 1nws h PHE 302 N 0.13 0.64 -0.45 4.55 3.57 0.19 -2.17 116.94 123.40 1nws h PHE 302 Ca -0.01 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1nws h PHE 302 Cb 1.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1nws h PHE 302 CO 0.10 0.29 0.33 -0.07 -2.23 0.00 0.00 178.31 176.73 1nws h LEU 303 N 0.64 0.00 -8.89 0.59 3.38 0.26 -3.35 115.31 107.95 1nws h LEU 303 Ca 0.30 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.71 1nws h LEU 303 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1nws h LEU 303 CO -0.20 0.00 1.48 -0.13 0.09 0.00 0.00 178.44 179.68 1nws s ARG 304 N -5.00 2.98 0.00 1.13 0.52 -0.82 -0.11 118.95 117.65 1nws s ARG 304 Ca -0.05 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 1nws s ARG 304 Cb 0.19 -4.38 0.00 0.00 0.52 0.00 0.00 34.95 31.28 1nws s ARG 304 CO 0.71 -2.28 0.00 0.41 0.02 0.00 0.00 175.30 174.16 1nws n GLY 305 N 5.75 0.76 4.02 -3.53 0.00 -1.26 -5.05 105.19 105.88 1nws n GLY 305 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 1nws n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 306 N -2.72 4.54 -0.13 4.61 0.00 0.85 -4.93 121.76 123.98 1nws s ALA 306 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 51.96 49.97 1nws s ALA 306 Cb 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1nws s ALA 306 CO 0.00 -0.86 -0.17 0.99 0.00 0.00 0.00 175.76 175.73 1nws s THR 307 N -2.69 1.66 -0.14 0.00 2.01 -0.42 -4.97 115.64 111.09 1nws s THR 307 Ca 0.61 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 1nws s THR 307 Cb -0.06 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1nws s THR 307 CO 0.39 0.47 0.21 -0.69 -0.69 0.00 0.00 174.62 174.31 1nws s VAL 308 N 1.07 5.37 -0.13 3.82 1.01 -1.26 -1.46 120.40 128.82 1nws s VAL 308 Ca -0.04 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1nws s VAL 308 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1nws s VAL 308 CO -0.04 0.50 -0.17 -1.00 0.00 0.00 0.00 175.10 174.38 1nws s HIS 309 N -0.22 2.25 -0.28 5.22 3.76 -0.12 -4.99 115.29 120.91 1nws s HIS 309 Ca 0.14 -1.13 -0.26 0.00 -0.15 0.00 0.00 55.06 53.66 1nws s HIS 309 Cb -0.13 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.98 1nws s HIS 309 CO 0.03 -0.56 0.93 1.03 -0.85 0.00 0.00 174.74 175.32 1nws s ARG 310 N 1.00 4.11 -0.71 1.40 1.81 -1.26 -1.81 118.95 123.49 1nws s ARG 310 Ca -0.05 0.97 -0.27 0.00 -1.72 0.00 0.00 55.73 54.66 1nws s ARG 310 Cb -0.15 -3.69 0.02 0.00 -0.45 0.00 0.00 34.95 30.69 1nws s ARG 310 CO -0.03 -0.69 1.34 0.42 -0.68 0.00 0.00 175.30 175.65 1nws s ILE 311 N 3.17 3.71 0.31 1.52 1.01 -0.19 -4.98 121.20 125.75 1nws s ILE 311 Ca 0.39 0.43 -0.29 0.00 0.00 0.00 0.00 60.65 61.18 1nws s ILE 311 Cb -0.14 -4.79 -0.12 0.00 0.01 0.00 0.00 42.46 37.41 1nws s ILE 311 CO 0.11 -1.71 1.42 0.18 0.00 0.00 0.00 174.94 174.94 1nws n LEU 312 N 9.66 3.85 0.00 2.97 4.77 -1.26 -1.88 117.00 135.11 1nws n LEU 312 Ca 0.05 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1nws n LEU 312 Cb 0.49 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1nws n LEU 312 CO 0.71 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nws n GLY 313 N 1.36 2.79 0.01 -0.72 0.00 -1.26 -4.59 105.19 102.78 1nws n GLY 313 Ca 0.07 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1nws n GLY 313 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nws n GLN 314 N 0.00 0.76 -1.27 1.61 6.02 -0.79 -3.54 117.38 120.17 1nws n GLN 314 Ca 0.00 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.79 1nws n GLN 314 Cb 0.00 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 1nws n GLN 314 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nws n GLN 315 N -1.90 -1.17 -4.32 -1.09 1.13 -0.80 -1.62 117.38 107.61 1nws n GLN 315 Ca -0.01 0.77 -0.21 0.00 -1.94 0.00 0.00 57.00 55.61 1nws n GLN 315 Cb 0.41 -4.88 -0.11 0.00 0.11 0.00 0.00 30.24 25.77 1nws n GLN 315 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1nws s VAL 316 N -2.09 1.73 0.23 5.09 -7.23 -1.26 -4.57 120.40 112.31 1nws s VAL 316 Ca 0.00 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1nws s VAL 316 Cb 0.00 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 1nws s VAL 316 CO 0.00 -0.36 0.26 -2.16 -0.31 0.00 0.00 175.10 172.53 1nws s PRO 317 N -2.87 3.16 0.04 4.82 0.04 -1.25 -1.03 135.00 137.91 1nws s PRO 317 Ca 0.15 -0.90 0.02 0.00 0.04 0.00 0.00 61.00 60.31 1nws s PRO 317 Cb -0.05 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1nws s PRO 317 CO 0.06 0.43 -0.07 1.52 0.04 0.00 0.00 177.00 178.98 1nws s TYR 318 N -2.02 0.57 0.07 0.56 -0.85 -0.75 -2.38 117.35 112.54 1nws s TYR 318 Ca 0.33 -0.49 0.08 0.00 -0.52 0.00 0.00 57.07 56.47 1nws s TYR 318 Cb -0.09 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.88 1nws s TYR 318 CO 0.27 -0.10 -0.20 0.00 -1.52 0.00 0.00 175.55 173.99 1nws s ALA 319 N -1.35 1.75 0.00 9.51 0.00 0.15 -0.95 121.76 130.88 1nws s ALA 319 Ca -0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1nws s ALA 319 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1nws s ALA 319 CO 0.00 0.37 0.01 -0.08 0.00 0.00 0.00 175.76 176.07 1nws s THR 320 N -0.94 0.05 -0.27 0.00 -1.32 -0.54 -1.06 115.64 111.56 1nws s THR 320 Ca 0.07 -0.44 -0.12 0.00 -1.21 0.00 0.00 61.69 59.98 1nws s THR 320 Cb -0.09 -0.17 0.10 0.00 -1.51 0.00 0.00 72.50 70.82 1nws s THR 320 CO 0.03 -0.24 0.63 -0.75 -2.21 0.00 0.00 174.62 172.07 1nws s LYS 321 N -0.73 0.60 5.78 7.08 2.20 -0.94 -1.30 119.74 132.43 1nws s LYS 321 Ca -0.08 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1nws s LYS 321 Cb -0.05 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1nws s LYS 321 CO -0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nws n GLY 322 N 4.83 2.74 1.56 5.54 0.00 -1.26 -2.08 105.19 116.52 1nws n GLY 322 Ca -0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1nws n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nws n ASN 323 N 1.11 3.99 -4.52 1.61 6.94 -1.26 -4.89 115.26 118.25 1nws n ASN 323 Ca 0.00 -2.77 -0.32 0.00 -0.02 0.00 0.00 54.58 51.47 1nws n ASN 323 Cb 0.00 -0.66 -0.12 0.00 -2.36 0.00 0.00 39.78 36.64 1nws n ASN 323 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1nws s GLN 324 N -2.20 2.42 -0.03 -3.83 -1.52 -0.89 -0.13 119.66 113.49 1nws s GLN 324 Ca 0.37 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 1nws s GLN 324 Cb 0.29 -2.38 0.03 0.00 -0.22 0.00 0.00 33.01 30.73 1nws s GLN 324 CO 0.10 0.60 0.01 -0.46 -0.25 0.00 0.00 175.29 175.28 1nws s TRP 325 N -0.87 0.22 -0.03 0.91 -0.00 -0.51 -2.22 118.94 116.44 1nws s TRP 325 Ca 0.14 0.04 -0.01 0.00 -0.00 0.00 0.00 56.10 56.27 1nws s TRP 325 Cb -0.11 -0.34 0.03 0.00 -0.00 0.00 0.00 33.47 33.05 1nws s TRP 325 CO 0.04 -0.11 0.06 0.54 -0.00 0.00 0.00 176.95 177.48 1nws s VAL 326 N 0.98 -0.08 -0.17 5.86 0.11 -0.23 -0.02 120.40 126.86 1nws s VAL 326 Ca -0.09 0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 59.11 1nws s VAL 326 Cb -0.13 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1nws s VAL 326 CO -0.02 0.11 0.17 -0.83 -3.33 0.00 0.00 175.10 171.19 1nws s GLY 327 N 1.35 2.11 0.07 6.54 0.00 -0.81 -0.67 107.32 115.91 1nws s GLY 327 Ca -0.06 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 1nws s GLY 327 CO -0.04 0.05 0.12 1.58 0.00 0.00 0.00 173.10 174.82 1nws n TYR 328 N 3.08 -0.98 -4.38 1.90 4.11 -1.00 -1.82 117.16 118.08 1nws n TYR 328 Ca -0.16 -0.37 -0.29 0.00 -0.00 0.00 0.00 57.90 57.08 1nws n TYR 328 Cb 0.53 0.14 -0.13 0.00 -0.00 0.00 0.00 39.34 39.88 1nws n TYR 328 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nws s ASP 329 N -1.38 3.43 0.33 9.48 1.01 -1.26 -3.81 116.67 124.47 1nws s ASP 329 Ca 0.04 -0.72 0.05 0.00 0.71 0.00 0.00 52.55 52.62 1nws s ASP 329 Cb -0.01 -0.28 -0.02 0.00 1.01 0.00 0.00 42.92 43.62 1nws s ASP 329 CO 0.03 0.18 0.33 1.51 0.21 0.00 0.00 175.17 177.42 1nws s ASP 330 N -2.12 1.47 0.22 0.27 1.47 -1.26 -4.94 116.67 111.78 1nws s ASP 330 Ca 0.15 -1.69 -0.17 0.00 1.18 0.00 0.00 52.55 52.03 1nws s ASP 330 Cb -0.10 0.58 0.24 0.00 -0.34 0.00 0.00 42.92 43.30 1nws s ASP 330 CO 0.07 -1.12 1.57 1.56 0.68 0.00 0.00 175.17 177.93 1nws h GLN 331 N 2.14 -0.05 -0.20 2.11 7.50 -1.92 0.58 115.11 125.26 1nws h GLN 331 Ca -0.26 0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.91 1nws h GLN 331 Cb 1.23 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 1nws h GLN 331 CO 0.37 -0.03 0.09 1.49 -1.50 0.00 0.00 178.83 179.25 1nws h GLU 332 N -0.05 0.20 -0.42 1.46 4.81 -1.99 -1.63 114.58 116.96 1nws h GLU 332 Ca 0.33 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1nws h GLU 332 Cb 0.59 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1nws h GLU 332 CO -0.86 0.13 -0.33 0.66 -0.73 0.00 0.00 179.01 177.89 1nws h SER 333 N 0.21 1.01 -0.13 1.04 4.64 -1.46 -2.39 113.55 116.47 1nws h SER 333 Ca 0.08 -0.44 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1nws h SER 333 Cb 0.02 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1nws h SER 333 CO -0.06 1.24 -0.07 -0.37 -0.87 0.00 0.00 176.83 176.70 1nws h VAL 334 N 0.80 1.20 -0.06 0.95 -1.51 -0.84 -0.52 116.25 116.26 1nws h VAL 334 Ca 0.08 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 1nws h VAL 334 Cb 0.92 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1nws h VAL 334 CO 0.09 0.28 0.04 0.50 -1.23 0.00 0.00 177.57 177.24 1nws h LYS 335 N 0.40 0.09 -0.67 5.19 3.64 -1.08 0.97 116.57 125.11 1nws h LYS 335 Ca 0.08 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1nws h LYS 335 Cb 0.38 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1nws h LYS 335 CO 0.02 0.08 0.42 0.77 -2.27 0.00 0.00 179.45 178.46 1nws h SER 336 N 0.07 0.68 -0.44 4.20 0.02 -0.92 0.23 113.55 117.40 1nws h SER 336 Ca 0.02 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1nws h SER 336 Cb 0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1nws h SER 336 CO -0.00 0.48 0.12 0.11 -1.14 0.00 0.00 176.83 176.39 1nws h LYS 337 N 0.82 0.77 -0.24 3.45 1.57 -0.58 0.11 116.57 122.46 1nws h LYS 337 Ca 0.27 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1nws h LYS 337 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nws h LYS 337 CO -0.10 0.69 -0.17 0.28 -0.57 0.00 0.00 179.45 179.58 1nws h VAL 338 N 0.74 1.31 -0.46 0.50 2.07 -0.25 -1.66 116.25 118.50 1nws h VAL 338 Ca 0.17 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.48 1nws h VAL 338 Cb 0.27 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 1nws h VAL 338 CO -0.00 0.40 -0.17 -0.61 0.02 0.00 0.00 177.57 177.21 1nws h GLN 339 N 0.25 -0.07 -0.11 1.57 5.75 -0.40 0.02 115.11 122.12 1nws h GLN 339 Ca 0.05 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1nws h GLN 339 Cb 0.70 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.23 1nws h GLN 339 CO 0.05 -0.05 -0.11 -0.92 -2.65 0.00 0.00 178.83 175.15 1nws h TYR 340 N -0.07 -0.26 -0.66 3.99 3.20 -0.59 -1.02 116.97 121.56 1nws h TYR 340 Ca 0.22 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 1nws h TYR 340 Cb 0.41 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1nws h TYR 340 CO -0.44 -0.16 0.14 1.37 -1.64 0.00 0.00 178.16 177.42 1nws h LEU 341 N -0.13 0.99 -0.30 2.82 8.10 -0.42 -1.34 115.31 125.04 1nws h LEU 341 Ca 0.08 -0.21 -0.02 0.00 0.11 0.00 0.00 57.88 57.83 1nws h LEU 341 Cb 0.24 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.19 1nws h LEU 341 CO -0.19 0.97 0.10 0.11 -4.11 0.00 0.00 178.44 175.32 1nws h LYS 342 N 0.99 0.46 0.00 0.17 1.57 -0.86 0.52 116.57 119.43 1nws h LYS 342 Ca 0.21 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nws h LYS 342 Cb 0.38 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1nws h LYS 342 CO 0.00 0.49 0.00 -0.44 -0.57 0.00 0.00 179.45 178.94 1nws h ASP 343 N 0.33 0.00 0.03 0.86 3.32 -0.81 0.42 116.42 120.56 1nws h ASP 343 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1nws h ASP 343 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1nws h ASP 343 CO -0.00 0.00 -0.35 0.54 -1.72 0.00 0.00 179.24 177.70 1nws n ARG 344 N -2.89 1.33 -3.41 3.56 5.12 -0.33 -4.99 116.66 115.06 1nws n ARG 344 Ca -0.02 -1.05 -0.17 0.00 -1.93 0.00 0.00 57.85 54.67 1nws n ARG 344 Cb 0.08 -1.48 0.07 0.00 -1.16 0.00 0.00 32.46 29.98 1nws n ARG 344 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nws n GLN 345 N 0.08 -4.66 -3.27 5.56 6.02 0.15 -4.95 117.38 116.31 1nws n GLN 345 Ca 0.11 0.81 -0.21 0.00 -0.01 0.00 0.00 57.00 57.70 1nws n GLN 345 Cb 0.46 -5.71 0.00 0.00 1.02 0.00 0.00 30.24 26.02 1nws n GLN 345 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nws s LEU 346 N -6.06 3.85 0.53 1.08 1.43 -0.78 -4.05 118.68 114.67 1nws s LEU 346 Ca 0.18 0.10 0.21 0.00 -1.03 0.00 0.00 54.13 53.59 1nws s LEU 346 Cb -0.03 -2.99 1.42 0.00 0.03 0.00 0.00 46.19 44.62 1nws s LEU 346 CO 0.75 -0.52 2.15 0.00 0.23 0.00 0.00 176.35 178.95 1nws h ALA 347 N 0.67 1.73 0.00 4.21 0.00 0.21 -3.46 119.26 122.62 1nws h ALA 347 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nws h ALA 347 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nws h ALA 347 CO 0.56 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1nws n GLY 348 N -1.30 -0.07 3.60 0.00 0.00 -1.23 -0.35 105.19 105.84 1nws n GLY 348 Ca -0.03 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1nws n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 349 N -1.00 3.02 -0.05 4.61 0.00 -0.98 -1.18 121.76 126.18 1nws s ALA 349 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1nws s ALA 349 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1nws s ALA 349 CO 0.00 0.65 -0.18 1.41 0.00 0.00 0.00 175.76 177.64 1nws s MET 350 N -2.06 2.50 -0.10 0.00 0.00 0.77 -1.95 119.30 118.46 1nws s MET 350 Ca 0.21 -0.76 0.03 0.00 0.00 0.00 0.00 55.69 55.17 1nws s MET 350 Cb -0.11 -2.31 -0.01 0.00 0.00 0.00 0.00 34.83 32.40 1nws s MET 350 CO 0.13 0.55 -0.19 0.08 0.00 0.00 0.00 175.02 175.60 1nws s VAL 351 N -0.56 2.57 -0.24 10.11 1.01 0.50 0.95 120.40 134.75 1nws s VAL 351 Ca 0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1nws s VAL 351 Cb -0.11 -2.02 0.07 0.00 0.00 0.00 0.00 36.38 34.32 1nws s VAL 351 CO 0.01 0.55 0.03 0.86 0.00 0.00 0.00 175.10 176.55 1nws s TRP 352 N 0.11 1.56 0.12 5.22 -0.11 -1.01 -2.00 118.94 122.84 1nws s TRP 352 Ca -0.09 -1.33 -0.01 0.00 1.22 0.00 0.00 56.10 55.88 1nws s TRP 352 Cb -0.15 -1.37 -0.04 0.00 -1.50 0.00 0.00 33.47 30.41 1nws s TRP 352 CO 0.06 -0.73 0.05 0.00 -4.62 0.00 0.00 176.95 171.71 1nws s ALA 353 N 1.67 0.78 0.47 5.86 0.00 -1.26 -1.37 121.76 127.92 1nws s ALA 353 Ca 0.01 -1.41 0.19 0.00 0.00 0.00 0.00 51.96 50.75 1nws s ALA 353 Cb -0.18 0.79 1.19 0.00 0.00 0.00 0.00 23.12 24.92 1nws s ALA 353 CO -0.12 -0.48 1.98 -0.07 0.00 0.00 0.00 175.76 177.06 1nws h LEU 354 N 2.89 0.21 -0.14 0.00 3.38 -1.06 0.50 115.31 121.09 1nws h LEU 354 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nws h LEU 354 Cb 1.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nws h LEU 354 CO 0.60 0.12 0.00 -0.90 0.09 0.00 0.00 178.44 178.35 1nws n ASP 355 N -4.44 0.22 -0.00 -0.43 5.68 -1.26 -3.13 116.55 113.19 1nws n ASP 355 Ca 0.11 -1.08 0.07 0.00 -0.50 0.00 0.00 54.79 53.38 1nws n ASP 355 Cb 0.50 -0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.39 1nws n ASP 355 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1nws n LEU 356 N -0.82 0.49 -4.89 -2.12 4.77 0.15 -4.90 117.00 109.68 1nws n LEU 356 Ca 0.23 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.53 1nws n LEU 356 Cb 0.15 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1nws n LEU 356 CO 0.18 0.12 0.68 -0.62 -1.33 0.00 0.00 177.39 176.42 1nws s ASP 357 N -2.59 5.65 -1.16 -1.43 -1.08 -1.14 -1.00 116.67 113.93 1nws s ASP 357 Ca 0.03 1.07 -0.22 0.00 -0.52 0.00 0.00 52.55 52.91 1nws s ASP 357 Cb 0.10 -1.98 -0.06 0.00 -1.46 0.00 0.00 42.92 39.51 1nws s ASP 357 CO 0.56 -1.16 1.90 -0.62 0.52 0.00 0.00 175.17 176.38 1nws s ASP 358 N -4.30 5.27 0.25 -0.34 2.15 -1.26 -4.65 116.67 113.79 1nws s ASP 358 Ca 0.56 -1.63 0.25 0.00 0.43 0.00 0.00 52.55 52.17 1nws s ASP 358 Cb -0.11 -2.58 0.85 0.00 -0.30 0.00 0.00 42.92 40.78 1nws s ASP 358 CO 0.50 -2.80 1.76 2.19 -0.17 0.00 0.00 175.17 176.65 1nws h PHE 359 N 9.68 0.00 0.05 -5.34 -5.15 -1.91 0.12 116.94 114.39 1nws h PHE 359 Ca 0.23 0.00 -0.29 0.00 -0.20 0.00 0.00 57.97 57.71 1nws h PHE 359 Cb 0.94 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.08 1nws h PHE 359 CO 1.24 0.00 -1.56 1.96 -2.00 0.00 0.00 178.31 177.95 1nws h GLN 360 N 0.00 0.11 0.00 6.09 1.08 -1.91 -3.42 115.11 117.05 1nws h GLN 360 Ca 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1nws h GLN 360 Cb 0.64 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1nws h GLN 360 CO 0.00 0.85 0.00 0.41 -0.95 0.00 0.00 178.83 179.14 1nws n GLY 361 N 1.60 0.72 0.09 3.46 0.00 -1.11 -4.78 105.19 105.17 1nws n GLY 361 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1nws n GLY 361 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nws n SER 362 N 0.00 0.88 0.01 1.61 3.41 -1.26 -2.92 113.62 115.35 1nws n SER 362 Ca 0.00 0.41 -0.18 0.00 -0.26 0.00 0.00 58.87 58.84 1nws n SER 362 Cb 0.00 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1nws n SER 362 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1nws h PHE 363 N 0.00 0.52 -0.30 7.33 -1.00 -1.90 -3.33 116.94 118.26 1nws h PHE 363 Ca -0.23 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.23 1nws h PHE 363 Cb 1.83 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.35 1nws h PHE 363 CO 0.00 1.17 0.00 0.00 -1.61 0.00 0.00 178.31 177.87 1nws n GLY 365 N 0.82 -1.35 4.68 0.00 0.00 -1.25 -4.82 105.19 103.27 1nws n GLY 365 Ca 0.11 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1nws n GLY 365 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nws n GLN 366 N -0.85 0.00 -0.23 1.61 1.13 -1.26 -3.46 117.38 114.32 1nws n GLN 366 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nws n GLN 366 Cb 0.00 -3.60 0.00 0.00 0.11 0.00 0.00 30.24 26.75 1nws n GLN 366 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nws n ASP 367 N 0.00 0.00 -4.73 1.08 8.00 -1.15 -4.88 116.55 114.87 1nws n ASP 367 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1nws n ASP 367 Cb 0.00 -1.90 -0.02 0.00 -0.02 0.00 0.00 41.12 39.18 1nws n ASP 367 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nws s LEU 368 N 0.00 4.36 0.19 0.64 2.96 -1.22 -4.60 118.68 121.01 1nws s LEU 368 Ca 0.00 2.82 -0.10 0.00 -0.22 0.00 0.00 54.13 56.63 1nws s LEU 368 Cb 0.00 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1nws s LEU 368 CO 0.00 -0.88 0.52 -0.13 -1.32 0.00 0.00 176.35 174.54 1nws s ARG 369 N 0.30 3.82 -1.33 1.98 0.52 -1.26 -4.14 118.95 118.84 1nws s ARG 369 Ca 0.67 0.28 -0.10 0.00 -0.52 0.00 0.00 55.73 56.06 1nws s ARG 369 Cb -0.47 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1nws s ARG 369 CO 0.39 0.38 0.50 1.19 0.02 0.00 0.00 175.30 177.78 1nws n PHE 370 N 0.15 -1.63 -0.19 -0.53 3.72 0.38 -4.74 117.46 114.62 1nws n PHE 370 Ca -0.02 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.95 1nws n PHE 370 Cb 0.52 -3.43 0.10 0.00 -0.94 0.00 0.00 39.48 35.72 1nws n PHE 370 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nws h PRO 371 N -1.95 0.17 -0.03 -1.08 0.13 -1.77 0.32 132.00 127.79 1nws h PRO 371 Ca -0.65 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1nws h PRO 371 Cb 1.38 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1nws h PRO 371 CO 0.58 0.11 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.38 1nws h LEU 372 N 0.18 0.07 -0.37 1.56 3.38 -1.94 -1.26 115.31 116.92 1nws h LEU 372 Ca 0.31 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1nws h LEU 372 Cb 0.48 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1nws h LEU 372 CO -0.45 0.46 0.18 0.74 0.09 0.00 0.00 178.44 179.46 1nws h THR 373 N -0.32 1.17 -0.71 0.22 2.02 -1.87 -0.37 112.91 113.04 1nws h THR 373 Ca 0.01 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1nws h THR 373 Cb 0.43 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1nws h THR 373 CO 0.00 0.18 0.36 0.78 0.37 0.00 0.00 175.52 177.21 1nws h ASN 374 N 0.46 0.90 -0.45 4.18 2.35 -0.41 0.46 115.58 123.08 1nws h ASN 374 Ca 0.13 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1nws h ASN 374 Cb 0.11 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1nws h ASN 374 CO -0.02 0.75 0.27 0.00 -1.65 0.00 0.00 177.43 176.79 1nws h ALA 375 N 1.39 0.57 -0.44 -0.83 0.00 -0.61 0.11 119.26 119.46 1nws h ALA 375 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nws h ALA 375 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nws h ALA 375 CO -0.03 -0.04 0.23 0.82 0.00 0.00 0.00 179.25 180.22 1nws h ILE 376 N 0.55 1.17 -0.68 0.00 2.04 -0.10 -1.40 117.51 119.09 1nws h ILE 376 Ca 0.18 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1nws h ILE 376 Cb -0.00 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1nws h ILE 376 CO -0.07 0.19 0.39 0.50 0.00 0.00 0.00 178.15 179.15 1nws h LYS 377 N 0.58 0.93 0.06 2.37 3.64 -0.49 -1.68 116.57 121.98 1nws h LYS 377 Ca 0.15 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1nws h LYS 377 Cb 0.09 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1nws h LYS 377 CO -0.02 0.68 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.36 1nws h ASP 378 N 0.92 -0.07 -1.01 4.20 3.32 -0.48 -2.72 116.42 120.59 1nws h ASP 378 Ca 0.24 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.32 1nws h ASP 378 Cb 0.00 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.49 1nws h ASP 378 CO -0.04 0.04 0.64 0.00 -1.72 0.00 0.00 179.24 178.15 1nws h ALA 379 N 0.75 1.50 -0.47 3.45 0.00 -1.05 -0.07 119.26 123.38 1nws h ALA 379 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nws h ALA 379 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nws h ALA 379 CO 0.01 0.26 0.13 -0.07 0.00 0.00 0.00 179.25 179.58 1nws h LEU 380 N 1.02 0.64 0.00 0.00 3.38 -1.06 -2.67 115.31 116.62 1nws h LEU 380 Ca 0.49 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 1nws h LEU 380 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1nws h LEU 380 CO -0.25 0.62 -0.72 0.00 0.09 0.00 0.00 178.44 178.18 1nws h ALA 381 N 1.47 0.70 -2.11 1.53 0.00 -1.01 -3.48 119.26 116.36 1nws h ALA 381 Ca 0.16 -0.36 -0.48 0.00 0.00 0.00 0.00 54.91 54.22 1nws h ALA 381 Cb 0.23 0.04 0.21 0.00 0.00 0.00 0.00 17.79 18.27 1nws h ALA 381 CO -0.01 0.44 -0.19 0.00 0.00 0.00 0.00 179.25 179.50 1nws n ALA 382 N -2.23 -2.41 -0.63 0.00 0.00 -0.13 -5.12 120.51 110.00 1nws n ALA 382 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1nws n ALA 382 Cb 0.68 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1nws n ALA 382 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91