#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwu s LYS 23 N 0.00 4.05 -0.46 -0.72 1.02 0.71 -4.96 119.74 119.39 1nwu s LYS 23 Ca 0.00 0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.58 1nwu s LYS 23 Cb 0.00 -3.20 0.13 0.00 -0.52 0.00 0.00 37.83 34.24 1nwu s LYS 23 CO 0.00 0.65 0.24 -1.17 -0.92 0.00 0.00 175.35 174.15 1nwu s LEU 24 N -1.18 3.11 -0.29 3.17 2.96 -1.26 -1.86 118.68 123.33 1nwu s LEU 24 Ca 0.27 -2.70 -0.22 0.00 -0.22 0.00 0.00 54.13 51.26 1nwu s LEU 24 Cb -0.18 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 1nwu s LEU 24 CO 0.17 -0.26 0.73 -0.69 -1.32 0.00 0.00 176.35 174.98 1nwu s VAL 25 N 0.21 4.86 -0.08 1.68 1.01 -0.42 -1.49 120.40 126.16 1nwu s VAL 25 Ca 0.17 1.13 0.04 0.00 0.00 0.00 0.00 61.98 63.32 1nwu s VAL 25 Cb -0.25 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1nwu s VAL 25 CO 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 175.10 174.70 1nwu s TYR 27 N 0.22 3.52 -0.05 0.00 1.51 -0.77 -0.30 117.35 121.48 1nwu s TYR 27 Ca -0.14 1.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.96 1nwu s TYR 27 Cb -0.16 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1nwu s TYR 27 CO 0.07 0.33 -0.11 -0.47 -1.11 0.00 0.00 175.55 174.26 1nwu s TYR 28 N -1.65 1.28 -0.15 2.71 5.04 -0.06 -0.66 117.35 123.85 1nwu s TYR 28 Ca 0.43 -0.43 -0.07 0.00 -2.44 0.00 0.00 57.07 54.56 1nwu s TYR 28 Cb -0.13 -0.95 -0.04 0.00 0.35 0.00 0.00 41.96 41.19 1nwu s TYR 28 CO 0.20 -0.23 0.09 0.95 -1.34 0.00 0.00 175.55 175.22 1nwu s THR 29 N 0.61 5.05 -0.61 4.34 -4.23 -1.26 -0.97 115.64 118.58 1nwu s THR 29 Ca -0.12 0.05 0.21 0.00 -1.18 0.00 0.00 61.69 60.64 1nwu s THR 29 Cb -0.14 -3.24 0.21 0.00 1.34 0.00 0.00 72.50 70.66 1nwu s THR 29 CO 0.03 0.53 1.63 -1.54 -0.54 0.00 0.00 174.62 174.72 1nwu n SER 30 N 2.85 0.48 -0.16 3.99 3.41 0.72 -2.64 113.62 122.27 1nwu n SER 30 Ca -0.18 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1nwu n SER 30 Cb 0.53 -0.72 0.18 0.00 -0.26 0.00 0.00 64.21 63.94 1nwu n SER 30 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1nwu n TRP 31 N -2.04 0.00 0.31 7.33 2.14 -1.26 -3.98 117.44 119.94 1nwu n TRP 31 Ca 0.02 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.75 1nwu n TRP 31 Cb 0.20 -0.12 0.71 0.00 -0.81 0.00 0.00 31.31 31.29 1nwu n TRP 31 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 1nwu h SER 32 N 0.79 0.00 -0.02 -0.67 4.64 -1.78 -2.69 113.55 113.81 1nwu h SER 32 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1nwu h SER 32 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1nwu h SER 32 CO 0.00 0.00 -0.09 0.06 -0.87 0.00 0.00 176.83 175.93 1nwu h GLN 33 N 0.00 0.25 0.00 4.77 3.07 -1.67 -2.13 115.11 119.40 1nwu h GLN 33 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1nwu h GLN 33 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1nwu h GLN 33 CO 0.00 0.35 0.00 0.66 0.09 0.00 0.00 178.83 179.93 1nwu n TYR 34 N -4.31 0.00 -2.19 0.06 4.01 -1.01 -4.42 117.16 109.30 1nwu n TYR 34 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 1nwu n TYR 34 Cb 0.24 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 1nwu n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nwu s ARG 35 N -2.61 4.39 0.77 -0.72 0.52 -1.08 -4.95 118.95 115.28 1nwu s ARG 35 Ca 0.26 2.12 -0.14 0.00 -0.52 0.00 0.00 55.73 57.45 1nwu s ARG 35 Cb 0.19 -3.07 0.06 0.00 0.52 0.00 0.00 34.95 32.65 1nwu s ARG 35 CO 0.44 -0.12 1.18 0.39 0.02 0.00 0.00 175.30 177.20 1nwu n GLU 36 N 0.83 0.38 0.00 3.54 1.02 -1.26 -2.10 120.64 123.05 1nwu n GLU 36 Ca -0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1nwu n GLU 36 Cb 0.43 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1nwu n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nwu n GLY 37 N 0.70 2.09 0.00 0.62 0.00 -1.26 -0.72 105.19 106.61 1nwu n GLY 37 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1nwu n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nwu n ASP 38 N -0.04 0.00 0.13 1.61 8.00 -1.26 -1.96 116.55 123.03 1nwu n ASP 38 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1nwu n ASP 38 Cb 0.00 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1nwu n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1nwu h GLY 39 N 1.02 0.00 -4.87 0.44 0.00 -1.15 -3.45 103.07 95.06 1nwu h GLY 39 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1nwu h GLY 39 CO 0.00 0.00 1.06 -0.45 0.00 0.00 0.00 176.54 177.15 1nwu s SER 40 N -6.57 6.45 -0.09 0.19 0.15 -0.83 -4.67 113.70 108.32 1nwu s SER 40 Ca 0.02 2.74 0.01 0.00 0.70 0.00 0.00 55.95 59.42 1nwu s SER 40 Cb 0.10 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1nwu s SER 40 CO 0.75 -0.97 -0.10 0.00 1.20 0.00 0.00 173.24 174.12 1nwu s PHE 42 N 1.18 2.52 0.41 0.00 0.40 -1.26 -3.08 117.98 118.15 1nwu s PHE 42 Ca -0.05 -0.27 0.22 0.00 -0.60 0.00 0.00 56.93 56.23 1nwu s PHE 42 Cb -0.14 -1.25 1.20 0.00 0.51 0.00 0.00 43.02 43.34 1nwu s PHE 42 CO -0.03 0.49 1.73 -1.35 0.70 0.00 0.00 175.22 176.76 1nwu h PRO 43 N 3.15 0.29 0.00 0.24 0.11 -1.90 0.11 132.00 133.99 1nwu h PRO 43 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nwu h PRO 43 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nwu h PRO 43 CO 0.51 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1nwu n ASP 44 N -4.63 0.48 -0.29 -2.05 5.75 -1.26 -1.48 116.55 113.07 1nwu n ASP 44 Ca 0.28 0.65 0.15 0.00 -0.01 0.00 0.00 54.79 55.86 1nwu n ASP 44 Cb 1.03 -0.74 0.67 0.00 -1.03 0.00 0.00 41.12 41.05 1nwu n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nwu n ALA 45 N -1.71 2.63 -2.21 2.12 0.00 0.38 -4.89 120.51 116.83 1nwu n ALA 45 Ca 0.01 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.75 1nwu n ALA 45 Cb 0.15 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1nwu n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nwu s LEU 46 N -2.04 4.33 -0.46 0.00 1.43 -0.55 -5.00 118.68 116.40 1nwu s LEU 46 Ca 0.41 1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 54.50 1nwu s LEU 46 Cb 0.21 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.99 1nwu s LEU 46 CO 0.36 0.05 1.00 -0.62 0.23 0.00 0.00 176.35 177.37 1nwu s ASP 47 N -1.71 6.57 0.60 2.29 -1.08 -1.26 -4.92 116.67 117.16 1nwu s ASP 47 Ca 0.41 0.30 0.38 0.00 -0.52 0.00 0.00 52.55 53.13 1nwu s ASP 47 Cb -0.16 -2.49 2.08 0.00 -1.46 0.00 0.00 42.92 40.90 1nwu s ASP 47 CO 0.20 -1.10 2.17 0.08 0.52 0.00 0.00 175.17 177.04 1nwu h ARG 48 N 9.06 0.00 -0.02 4.34 0.11 -1.96 -1.74 114.38 124.16 1nwu h ARG 48 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1nwu h ARG 48 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1nwu h ARG 48 CO 1.06 0.00 -0.18 1.19 0.10 0.00 0.00 179.97 182.14 1nwu n PHE 49 N -2.89 0.00 0.15 4.08 3.72 -1.26 -4.62 117.46 116.64 1nwu n PHE 49 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 1nwu n PHE 49 Cb 0.11 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 1nwu n PHE 49 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nwu h LEU 50 N 3.38 -0.33-10.01 4.37 5.85 -1.73 -3.46 115.31 113.39 1nwu h LEU 50 Ca 0.00 -0.17 -0.52 0.00 0.84 0.00 0.00 57.88 58.03 1nwu h LEU 50 Cb 0.81 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1nwu h LEU 50 CO 0.00 0.00 -0.45 0.00 -0.34 0.00 0.00 178.44 177.65 1nwu n THR 52 N -1.36 0.54 -3.77 0.00 -2.24 -0.56 -4.88 114.28 102.02 1nwu n THR 52 Ca 0.00 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1nwu n THR 52 Cb 0.62 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 1nwu n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nwu s HIS 53 N -3.22 -0.10 -0.12 4.78 3.76 -1.07 -1.58 115.29 117.74 1nwu s HIS 53 Ca -0.06 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 1nwu s HIS 53 Cb 0.11 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.70 1nwu s HIS 53 CO 0.86 -0.12 -0.22 0.42 -0.85 0.00 0.00 174.74 174.82 1nwu s ILE 54 N 0.94 2.16 -0.17 0.60 1.01 -0.53 -0.31 121.20 124.90 1nwu s ILE 54 Ca -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 1nwu s ILE 54 Cb -0.10 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1nwu s ILE 54 CO -0.04 0.55 -0.06 -0.63 0.00 0.00 0.00 174.94 174.76 1nwu s ILE 55 N 0.51 3.51 -0.10 2.92 1.01 0.59 -1.48 121.20 128.17 1nwu s ILE 55 Ca -0.14 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 1nwu s ILE 55 Cb -0.17 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1nwu s ILE 55 CO 0.05 0.48 0.68 -0.47 0.00 0.00 0.00 174.94 175.68 1nwu s TYR 56 N 0.69 3.53 -0.09 3.97 6.14 0.48 -0.88 117.35 131.19 1nwu s TYR 56 Ca -0.03 1.18 0.02 0.00 0.64 0.00 0.00 57.07 58.88 1nwu s TYR 56 Cb -0.15 -2.80 0.01 0.00 0.42 0.00 0.00 41.96 39.44 1nwu s TYR 56 CO 0.02 0.03 -0.16 -1.12 0.64 0.00 0.00 175.55 174.96 1nwu s SER 57 N 0.86 2.39 0.14 4.32 0.01 -0.14 -0.02 113.70 121.26 1nwu s SER 57 Ca 0.35 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1nwu s SER 57 Cb -0.17 -1.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 1nwu s SER 57 CO 0.16 0.06 -0.05 -0.36 0.41 0.00 0.00 173.24 173.46 1nwu s PHE 58 N 0.72 1.09 0.24 2.43 0.08 -1.26 -0.20 117.98 121.08 1nwu s PHE 58 Ca -0.12 -0.92 -0.00 0.00 0.12 0.00 0.00 56.93 56.00 1nwu s PHE 58 Cb -0.16 -0.61 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 1nwu s PHE 58 CO 0.03 -0.12 0.44 0.00 -0.10 0.00 0.00 175.22 175.46 1nwu s ALA 59 N -3.57 3.79 0.57 5.36 0.00 0.14 -4.46 121.76 123.58 1nwu s ALA 59 Ca 0.17 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1nwu s ALA 59 Cb 0.05 -2.03 0.07 0.00 0.00 0.00 0.00 23.12 21.21 1nwu s ALA 59 CO -0.00 0.31 0.60 1.21 0.00 0.00 0.00 175.76 177.88 1nwu s ASN 60 N -3.39 4.83 -0.17 0.00 2.47 0.45 -3.34 114.94 115.78 1nwu s ASN 60 Ca 0.39 -1.09 -0.03 0.00 0.42 0.00 0.00 52.86 52.55 1nwu s ASN 60 Cb -0.11 0.43 0.06 0.00 -1.45 0.00 0.00 41.25 40.18 1nwu s ASN 60 CO 0.30 -1.25 0.04 -0.63 -3.72 0.00 0.00 177.10 171.84 1nwu s ILE 61 N -2.74 0.41 -0.06 -5.21 1.01 -1.26 -1.09 121.20 112.26 1nwu s ILE 61 Ca 0.47 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1nwu s ILE 61 Cb -0.04 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 1nwu s ILE 61 CO 0.30 -0.16 -0.20 -0.44 0.00 0.00 0.00 174.94 174.44 1nwu s SER 62 N 1.91 2.54 -1.45 3.58 0.01 0.60 -4.68 113.70 116.22 1nwu s SER 62 Ca 0.00 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 1nwu s SER 62 Cb -0.16 -0.88 0.03 0.00 0.21 0.00 0.00 66.02 65.21 1nwu s SER 62 CO -0.08 0.16 0.48 0.59 0.41 0.00 0.00 173.24 174.81 1nwu n ASN 63 N 3.29 -5.19 -0.88 2.44 3.02 -1.26 -0.36 115.26 116.32 1nwu n ASN 63 Ca -0.19 -0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 53.98 1nwu n ASN 63 Cb 0.53 -4.24 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 1nwu n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nwu n ASP 64 N -2.36 -4.64 -4.42 6.41 8.00 -1.26 -4.96 116.55 113.32 1nwu n ASP 64 Ca -0.09 0.28 -0.31 0.00 0.71 0.00 0.00 54.79 55.38 1nwu n ASP 64 Cb 0.60 -3.15 -0.13 0.00 -0.02 0.00 0.00 41.12 38.42 1nwu n ASP 64 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nwu s HIS 65 N -2.34 2.51 0.36 1.24 3.76 0.51 -1.53 115.29 119.80 1nwu s HIS 65 Ca 0.00 -0.29 -0.26 0.00 -0.15 0.00 0.00 55.06 54.35 1nwu s HIS 65 Cb 0.00 -1.48 -0.09 0.00 1.11 0.00 0.00 32.58 32.12 1nwu s HIS 65 CO 0.00 0.19 1.16 -1.50 -0.85 0.00 0.00 174.74 173.74 1nwu s ILE 66 N -0.84 3.23 0.23 0.60 2.07 -1.26 -0.29 121.20 124.93 1nwu s ILE 66 Ca 0.13 1.09 -0.17 0.00 -1.41 0.00 0.00 60.65 60.29 1nwu s ILE 66 Cb -0.10 -3.64 0.02 0.00 0.13 0.00 0.00 42.46 38.87 1nwu s ILE 66 CO 0.03 0.15 0.55 -0.62 -1.91 0.00 0.00 174.94 173.14 1nwu s ASP 67 N -1.04 -0.21 0.88 4.50 2.15 -0.25 -4.83 116.67 117.88 1nwu s ASP 67 Ca 0.53 -0.65 -0.11 0.00 0.43 0.00 0.00 52.55 52.76 1nwu s ASP 67 Cb -0.31 0.61 0.12 0.00 -0.30 0.00 0.00 42.92 43.04 1nwu s ASP 67 CO 0.40 -1.14 1.10 0.42 -0.17 0.00 0.00 175.17 175.77 1nwu s THR 68 N -3.93 2.70 -0.01 1.71 -4.23 -1.26 -0.41 115.64 110.21 1nwu s THR 68 Ca 0.14 0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1nwu s THR 68 Cb -0.02 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1nwu s THR 68 CO 0.03 -0.30 -0.10 1.87 -0.54 0.00 0.00 174.62 175.59 1nwu n TRP 69 N -3.93 0.00 -2.85 3.99 -0.00 -1.26 -4.31 117.44 109.08 1nwu n TRP 69 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.26 1nwu n TRP 69 Cb 0.54 -0.18 -0.05 0.00 -0.00 0.00 0.00 31.31 31.61 1nwu n TRP 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1nwu s GLU 70 N -2.21 3.96 0.40 5.87 2.56 -1.26 -4.97 118.70 123.05 1nwu s GLU 70 Ca -0.09 0.74 0.08 0.00 0.00 0.00 0.00 54.97 55.70 1nwu s GLU 70 Cb 0.02 -2.32 0.85 0.00 2.00 0.00 0.00 34.13 34.68 1nwu s GLU 70 CO 0.12 -0.02 2.02 0.11 -0.56 0.00 0.00 175.26 176.93 1nwu h TRP 71 N 1.62 0.57 -0.41 5.30 5.08 -2.00 -2.77 115.95 123.34 1nwu h TRP 71 Ca -0.48 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.48 1nwu h TRP 71 Cb 1.18 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 27.13 1nwu h TRP 71 CO 0.62 0.33 0.02 0.27 -1.28 0.00 0.00 178.44 178.40 1nwu n ASN 72 N -4.47 4.53 -0.22 0.11 6.94 -1.26 -4.71 115.26 116.17 1nwu n ASN 72 Ca 0.06 -3.05 0.01 0.00 -0.02 0.00 0.00 54.58 51.59 1nwu n ASN 72 Cb 0.15 -0.61 0.13 0.00 -2.36 0.00 0.00 39.78 37.08 1nwu n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nwu h ASP 73 N 2.56 0.28 -0.81 0.53 3.32 -1.89 -1.28 116.42 119.13 1nwu h ASP 73 Ca 0.03 0.08 0.15 0.00 0.02 0.00 0.00 57.03 57.31 1nwu h ASP 73 Cb 1.72 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 41.22 1nwu h ASP 73 CO 0.37 0.15 0.38 0.58 -1.72 0.00 0.00 179.24 179.00 1nwu h VAL 74 N 0.45 0.69 -0.02 -1.35 2.07 -1.85 0.98 116.25 117.21 1nwu h VAL 74 Ca 0.33 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1nwu h VAL 74 Cb 0.41 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1nwu h VAL 74 CO -0.31 0.10 0.00 0.74 0.02 0.00 0.00 177.57 178.11 1nwu h THR 75 N 0.53 1.24 -0.35 2.57 2.02 -1.64 -2.47 112.91 114.81 1nwu h THR 75 Ca 0.45 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1nwu h THR 75 Cb 0.66 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1nwu h THR 75 CO -0.39 0.19 0.04 -0.07 0.37 0.00 0.00 175.52 175.66 1nwu h LEU 76 N -0.25 0.49 -0.33 2.58 3.38 -0.16 -0.46 115.31 120.56 1nwu h LEU 76 Ca 0.01 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1nwu h LEU 76 Cb 0.31 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nwu h LEU 76 CO 0.00 0.53 0.12 1.88 0.09 0.00 0.00 178.44 181.06 1nwu h TYR 77 N 0.51 0.21 -0.73 1.13 0.05 0.11 0.53 116.97 118.78 1nwu h TYR 77 Ca 0.11 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 1nwu h TYR 77 Cb 0.28 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1nwu h TYR 77 CO 0.01 0.09 0.20 0.78 -1.05 0.00 0.00 178.16 178.19 1nwu h GLY 78 N 0.26 1.24 1.01 3.88 0.00 -0.91 0.16 103.07 108.71 1nwu h GLY 78 Ca 0.15 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1nwu h GLY 78 CO -0.15 0.71 0.62 1.98 0.00 0.00 0.00 176.54 179.70 1nwu h MET 79 N 1.09 1.28 -0.00 4.80 -1.53 -0.37 0.07 114.93 120.28 1nwu h MET 79 Ca 0.23 -0.09 -0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1nwu h MET 79 Cb 0.34 -0.28 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1nwu h MET 79 CO -0.00 0.86 -0.00 1.25 0.14 0.00 0.00 176.91 179.16 1nwu h LEU 80 N 1.31 0.00 -2.08 3.39 5.85 -0.53 -3.25 115.31 120.01 1nwu h LEU 80 Ca 0.35 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1nwu h LEU 80 Cb -0.12 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1nwu h LEU 80 CO -0.07 0.57 -0.01 0.78 -0.34 0.00 0.00 178.44 179.36 1nwu h ASN 81 N -0.56 0.00 0.00 1.25 2.35 -0.80 -2.05 115.58 115.77 1nwu h ASN 81 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1nwu h ASN 81 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1nwu h ASN 81 CO 0.00 0.01 -0.06 0.74 -1.65 0.00 0.00 177.43 176.47 1nwu h THR 82 N 0.00 1.11 -0.13 2.81 2.02 -1.01 -1.94 112.91 115.77 1nwu h THR 82 Ca -0.00 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1nwu h THR 82 Cb 0.31 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1nwu h THR 82 CO 0.00 0.15 0.21 -0.07 0.37 0.00 0.00 175.52 176.18 1nwu h LEU 83 N 0.15 0.00 -0.36 2.58 3.38 -1.49 -0.83 115.31 118.74 1nwu h LEU 83 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nwu h LEU 83 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nwu h LEU 83 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1nwu n LYS 84 N -3.52 0.20 -0.23 1.13 5.02 -0.73 -3.54 118.16 116.50 1nwu n LYS 84 Ca 0.01 0.31 -0.07 0.00 -2.02 0.00 0.00 58.31 56.54 1nwu n LYS 84 Cb 0.31 -1.81 0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1nwu n LYS 84 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1nwu h ASN 85 N 0.00 0.81 0.05 4.39 2.35 -1.32 -2.79 115.58 119.06 1nwu h ASN 85 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1nwu h ASN 85 Cb 0.51 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1nwu h ASN 85 CO 0.00 0.69 -0.30 0.54 -1.65 0.00 0.00 177.43 176.71 1nwu n ARG 86 N -4.52 1.34 -3.34 0.81 1.74 -1.24 -4.55 116.66 106.89 1nwu n ARG 86 Ca 0.05 -1.02 -0.26 0.00 -0.77 0.00 0.00 57.85 55.85 1nwu n ARG 86 Cb 0.11 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 1nwu n ARG 86 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nwu n ASN 87 N 0.06 -0.15 0.09 0.55 2.85 -1.08 -5.00 115.26 112.58 1nwu n ASN 87 Ca 0.12 -2.50 0.21 0.00 -0.11 0.00 0.00 54.58 52.29 1nwu n ASN 87 Cb 0.45 -0.58 0.73 0.00 1.24 0.00 0.00 39.78 41.62 1nwu n ASN 87 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1nwu h PRO 88 N 5.10 0.00 0.00 1.20 0.11 -1.74 -1.48 132.00 135.19 1nwu h PRO 88 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1nwu h PRO 88 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1nwu h PRO 88 CO 0.41 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.29 1nwu h ASN 89 N 0.00 0.00 -2.76 -2.05 4.21 -1.94 -3.45 115.58 109.58 1nwu h ASN 89 Ca 0.20 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.18 1nwu h ASN 89 Cb 1.16 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.39 1nwu h ASN 89 CO -0.00 0.00 0.93 -0.22 -1.29 0.00 0.00 177.43 176.85 1nwu s LEU 90 N -5.34 4.37 0.07 1.61 2.96 -0.56 -4.95 118.68 116.83 1nwu s LEU 90 Ca 0.09 2.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.56 1nwu s LEU 90 Cb 0.09 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1nwu s LEU 90 CO 0.63 -0.85 0.07 -0.54 -1.32 0.00 0.00 176.35 174.34 1nwu s LYS 91 N 1.90 2.87 0.03 1.98 3.01 -0.62 -4.91 119.74 124.01 1nwu s LYS 91 Ca 0.72 -0.68 0.05 0.00 -1.01 0.00 0.00 55.97 55.05 1nwu s LYS 91 Cb -0.41 -2.72 -0.02 0.00 -1.01 0.00 0.00 37.83 33.66 1nwu s LYS 91 CO 0.32 0.58 -0.15 0.99 0.51 0.00 0.00 175.35 177.59 1nwu s THR 92 N -1.34 1.20 0.05 2.17 2.01 -1.26 -1.45 115.64 117.01 1nwu s THR 92 Ca 0.28 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1nwu s THR 92 Cb -0.12 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1nwu s THR 92 CO 0.20 0.07 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.40 1nwu s LEU 93 N -1.05 2.42 -0.18 4.42 1.02 -0.55 -0.10 118.68 124.66 1nwu s LEU 93 Ca 0.03 -0.85 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 1nwu s LEU 93 Cb -0.08 0.08 -0.01 0.00 0.02 0.00 0.00 46.19 46.21 1nwu s LEU 93 CO 0.01 -0.47 -0.08 -0.22 0.02 0.00 0.00 176.35 175.62 1nwu s LEU 94 N -2.50 2.85 -0.10 1.79 2.96 -0.67 -0.39 118.68 122.63 1nwu s LEU 94 Ca 0.01 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.43 1nwu s LEU 94 Cb 0.02 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1nwu s LEU 94 CO -0.06 0.06 0.36 -0.55 -1.32 0.00 0.00 176.35 174.84 1nwu s SER 95 N 0.99 6.60 -0.13 3.68 0.15 0.98 -1.06 113.70 124.90 1nwu s SER 95 Ca -0.01 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1nwu s SER 95 Cb -0.15 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1nwu s SER 95 CO -0.00 0.18 -0.11 0.54 1.20 0.00 0.00 173.24 175.04 1nwu s VAL 96 N -0.11 3.20 0.00 4.45 0.11 -0.03 0.27 120.40 128.28 1nwu s VAL 96 Ca 0.21 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1nwu s VAL 96 Cb -0.15 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1nwu s VAL 96 CO 0.08 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1nwu n GLY 97 N 3.51 0.16 0.00 6.54 0.00 -1.21 -0.99 105.19 113.20 1nwu n GLY 97 Ca -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1nwu n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwu n GLY 98 N 0.00 1.29 0.37 -0.02 0.00 0.29 -4.32 105.19 102.80 1nwu n GLY 98 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.35 1nwu n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1nwu h TRP 99 N 0.00 0.97 -0.25 1.61 2.91 -1.90 -1.36 115.95 117.94 1nwu h TRP 99 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1nwu h TRP 99 Cb 0.00 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.35 1nwu h TRP 99 CO 0.00 0.28 0.01 0.09 -1.03 0.00 0.00 178.44 177.79 1nwu n ASN 100 N -4.66 3.04 -0.05 2.65 3.02 -1.26 -4.12 115.26 113.88 1nwu n ASN 100 Ca 0.21 -2.41 -0.21 0.00 -0.03 0.00 0.00 54.58 52.14 1nwu n ASN 100 Cb 0.53 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.99 1nwu n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1nwu h PHE 101 N 1.67 0.23 0.00 3.10 3.57 -1.43 -3.51 116.94 120.56 1nwu h PHE 101 Ca 0.01 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1nwu h PHE 101 Cb 1.16 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1nwu h PHE 101 CO 0.48 1.54 0.00 0.41 -2.23 0.00 0.00 178.31 178.50 1nwu n GLY 102 N 1.65 0.31 0.53 2.40 0.00 -1.26 -4.78 105.19 104.04 1nwu n GLY 102 Ca -0.28 -0.80 0.36 0.00 0.00 0.00 0.00 46.02 45.29 1nwu n GLY 102 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nwu h SER 103 N 0.00 0.10 0.07 1.61 4.64 -1.90 -0.71 113.55 117.37 1nwu h SER 103 Ca 0.00 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1nwu h SER 103 Cb 0.00 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1nwu h SER 103 CO 0.00 -0.00 -0.22 1.56 -0.87 0.00 0.00 176.83 177.30 1nwu h GLN 104 N 0.07 -0.37 -0.30 4.77 1.08 -1.93 0.12 115.11 118.55 1nwu h GLN 104 Ca 0.64 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1nwu h GLN 104 Cb 2.36 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.86 1nwu h GLN 104 CO -0.09 -0.25 0.19 0.00 -0.95 0.00 0.00 178.83 177.73 1nwu h ARG 105 N -0.39 0.40 -0.90 1.46 3.08 -1.43 -2.23 114.38 114.38 1nwu h ARG 105 Ca 0.04 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1nwu h ARG 105 Cb 0.43 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1nwu h ARG 105 CO -0.15 0.28 0.59 0.35 -1.07 0.00 0.00 179.97 179.96 1nwu h PHE 106 N 0.40 1.06 0.10 3.04 3.04 -1.38 -2.69 116.94 120.52 1nwu h PHE 106 Ca 0.11 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1nwu h PHE 106 Cb -0.03 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.13 1nwu h PHE 106 CO -0.05 0.59 -0.05 1.03 -2.02 0.00 0.00 178.31 177.81 1nwu h SER 107 N 1.07 -0.11 -0.95 0.41 0.87 -0.23 -1.62 113.55 112.99 1nwu h SER 107 Ca 0.37 -0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.96 1nwu h SER 107 Cb 0.11 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.02 1nwu h SER 107 CO -0.13 0.03 0.60 0.11 -0.53 0.00 0.00 176.83 176.91 1nwu h LYS 108 N -0.25 0.85 -0.14 2.24 1.57 -1.11 0.13 116.57 119.87 1nwu h LYS 108 Ca -0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1nwu h LYS 108 Cb 0.20 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nwu h LYS 108 CO 0.02 0.56 -0.30 0.82 -0.57 0.00 0.00 179.45 179.98 1nwu h ILE 109 N 0.87 1.37 0.00 1.86 2.04 -1.32 -2.74 117.51 119.59 1nwu h ILE 109 Ca 0.47 -1.58 -0.12 0.00 1.00 0.00 0.00 64.86 64.63 1nwu h ILE 109 Cb 0.56 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1nwu h ILE 109 CO -0.23 0.47 -0.57 0.00 0.00 0.00 0.00 178.15 177.81 1nwu h ALA 110 N 0.54 0.87 0.09 1.87 0.00 -0.79 -2.55 119.26 119.30 1nwu h ALA 110 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 54.91 54.13 1nwu h ALA 110 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nwu h ALA 110 CO 0.07 0.72 -1.21 0.66 0.00 0.00 0.00 179.25 179.49 1nwu h SER 111 N 0.00 0.30 -3.20 0.00 4.64 -0.83 -3.44 113.55 111.02 1nwu h SER 111 Ca -0.01 -0.33 -0.58 0.00 -0.47 0.00 0.00 61.79 60.41 1nwu h SER 111 Cb 1.14 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 1nwu h SER 111 CO 0.07 1.26 0.83 0.21 -0.87 0.00 0.00 176.83 178.33 1nwu s ASN 112 N -7.00 7.01 0.31 4.97 3.84 -1.03 -4.94 114.94 118.10 1nwu s ASN 112 Ca -0.03 1.20 0.04 0.00 0.21 0.00 0.00 52.86 54.29 1nwu s ASN 112 Cb 0.08 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.90 1nwu s ASN 112 CO 0.86 -0.78 1.85 0.74 -2.79 0.00 0.00 177.10 176.98 1nwu h THR 113 N 5.60 0.89 -0.04 -5.21 2.02 -1.85 -0.29 112.91 114.03 1nwu h THR 113 Ca -0.20 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 1nwu h THR 113 Cb 1.06 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1nwu h THR 113 CO 1.01 0.16 -0.20 1.56 0.37 0.00 0.00 175.52 178.42 1nwu h GLN 114 N 0.87 0.21 -0.81 6.66 7.50 -1.92 -2.95 115.11 124.68 1nwu h GLN 114 Ca 0.48 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.44 1nwu h GLN 114 Cb 0.58 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.10 1nwu h GLN 114 CO -0.24 0.82 0.47 0.77 -1.50 0.00 0.00 178.83 179.15 1nwu h SER 115 N -0.34 0.99 -0.67 1.46 0.02 -1.73 -1.67 113.55 111.61 1nwu h SER 115 Ca -0.01 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1nwu h SER 115 Cb 0.86 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1nwu h SER 115 CO 0.04 0.78 0.34 -0.09 -1.14 0.00 0.00 176.83 176.76 1nwu h ARG 116 N 1.12 0.94 -0.06 3.45 2.43 -0.61 -0.83 114.38 120.83 1nwu h ARG 116 Ca 0.29 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1nwu h ARG 116 Cb -0.01 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1nwu h ARG 116 CO -0.05 0.73 0.02 -0.09 -1.51 0.00 0.00 179.97 179.07 1nwu h ARG 117 N 0.92 0.09 -0.35 0.20 9.65 -1.27 -0.99 114.38 122.63 1nwu h ARG 117 Ca 0.23 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.15 1nwu h ARG 117 Cb 0.08 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.60 1nwu h ARG 117 CO -0.03 0.28 0.04 1.15 2.80 0.00 0.00 179.97 184.21 1nwu h THR 118 N -0.11 0.80 0.38 0.20 2.02 -1.15 0.47 112.91 115.52 1nwu h THR 118 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1nwu h THR 118 Cb 0.23 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1nwu h THR 118 CO -0.00 0.03 -0.22 0.15 0.37 0.00 0.00 175.52 175.85 1nwu h PHE 119 N 0.16 -0.57 -0.54 3.16 3.57 -0.08 -1.63 116.94 121.01 1nwu h PHE 119 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.71 1nwu h PHE 119 Cb 0.20 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1nwu h PHE 119 CO -0.21 -0.34 0.25 0.82 -2.23 0.00 0.00 178.31 176.60 1nwu h ILE 120 N -0.57 0.91 -0.45 1.41 2.04 -0.89 -2.15 117.51 117.80 1nwu h ILE 120 Ca -0.04 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1nwu h ILE 120 Cb 0.46 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1nwu h ILE 120 CO 0.06 0.09 0.13 0.50 0.00 0.00 0.00 178.15 178.92 1nwu h LYS 121 N 0.49 0.67 0.00 2.37 3.64 -0.79 -2.71 116.57 120.23 1nwu h LYS 121 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1nwu h LYS 121 Cb 0.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1nwu h LYS 121 CO -0.19 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 1nwu h SER 122 N 0.66 0.00 0.44 4.20 4.64 -0.64 -3.37 113.55 119.48 1nwu h SER 122 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1nwu h SER 122 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1nwu h SER 122 CO -0.01 0.00 -0.21 0.58 -0.87 0.00 0.00 176.83 176.32 1nwu h VAL 123 N 0.00 0.40 -0.47 0.95 2.07 -1.17 -3.06 116.25 114.97 1nwu h VAL 123 Ca 0.00 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 67.08 1nwu h VAL 123 Cb 0.62 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1nwu h VAL 123 CO 0.00 0.07 -0.09 -0.65 0.02 0.00 0.00 177.57 176.92 1nwu h PRO 124 N -0.97 0.02 -0.57 1.57 0.11 -1.73 -0.79 132.00 129.63 1nwu h PRO 124 Ca -0.06 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.09 1nwu h PRO 124 Cb 0.57 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 1nwu h PRO 124 CO 0.10 0.01 0.31 -1.35 -0.21 0.00 0.00 178.00 176.87 1nwu h PRO 125 N 0.02 0.59 -0.48 1.05 0.11 -1.77 -1.20 132.00 130.32 1nwu h PRO 125 Ca 0.23 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1nwu h PRO 125 Cb 0.35 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1nwu h PRO 125 CO -0.46 0.39 0.30 0.35 -0.21 0.00 0.00 178.00 178.36 1nwu h PHE 126 N 0.61 0.63 -0.41 0.65 3.57 -1.24 0.33 116.94 121.08 1nwu h PHE 126 Ca 0.25 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1nwu h PHE 126 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1nwu h PHE 126 CO -0.08 0.43 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.20 1nwu h LEU 127 N 0.64 0.85 -0.56 0.59 3.38 -0.88 -2.25 115.31 117.07 1nwu h LEU 127 Ca 0.17 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1nwu h LEU 127 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1nwu h LEU 127 CO -0.03 1.05 -0.06 0.03 0.09 0.00 0.00 178.44 179.52 1nwu h ARG 128 N 0.64 1.03 -0.16 1.13 2.47 -1.11 0.92 114.38 119.31 1nwu h ARG 128 Ca 0.09 -0.36 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 1nwu h ARG 128 Cb 0.71 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 1nwu h ARG 128 CO 0.05 1.05 -0.05 1.15 0.56 0.00 0.00 179.97 182.73 1nwu h THR 129 N 0.91 1.14 -0.47 2.04 2.02 -0.84 -2.99 112.91 114.73 1nwu h THR 129 Ca 0.15 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1nwu h THR 129 Cb 0.62 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1nwu h THR 129 CO 0.04 0.18 0.00 1.41 0.37 0.00 0.00 175.52 177.52 1nwu n HIS 130 N -4.35 0.62 -1.54 3.16 8.25 -0.86 -5.00 115.22 115.51 1nwu n HIS 130 Ca -0.01 -0.49 -0.02 0.00 -0.26 0.00 0.00 57.72 56.95 1nwu n HIS 130 Cb 0.21 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.30 1nwu n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nwu n GLY 131 N 0.88 0.41 3.88 -1.41 0.00 -0.49 -4.72 105.19 103.74 1nwu n GLY 131 Ca 0.16 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1nwu n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwu s PHE 132 N -2.08 3.46 -1.83 1.61 0.08 0.20 -4.91 117.98 114.51 1nwu s PHE 132 Ca 0.00 0.75 0.25 0.00 0.12 0.00 0.00 56.93 58.04 1nwu s PHE 132 Cb 0.00 -2.15 0.47 0.00 -0.57 0.00 0.00 43.02 40.77 1nwu s PHE 132 CO 0.00 0.36 1.39 -0.25 -0.10 0.00 0.00 175.22 176.62 1nwu n ASP 133 N 0.07 1.37 0.00 1.36 8.00 0.85 -4.50 116.55 123.70 1nwu n ASP 133 Ca -0.02 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1nwu n ASP 133 Cb 0.52 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1nwu n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nwu n GLY 134 N 1.37 -1.45 3.33 0.44 0.00 -1.08 -0.52 105.19 107.28 1nwu n GLY 134 Ca 0.11 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1nwu n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nwu s LEU 135 N 0.00 2.13 -0.19 0.99 2.96 0.62 -1.68 118.68 123.51 1nwu s LEU 135 Ca 0.00 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1nwu s LEU 135 Cb 0.00 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1nwu s LEU 135 CO 0.00 0.32 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.60 1nwu s ASP 136 N -0.60 3.70 -0.24 3.68 2.15 -0.23 -1.27 116.67 123.86 1nwu s ASP 136 Ca 0.09 -0.51 -0.20 0.00 0.43 0.00 0.00 52.55 52.37 1nwu s ASP 136 Cb -0.10 -1.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.90 1nwu s ASP 136 CO -0.01 0.02 0.60 -0.76 -0.17 0.00 0.00 175.17 174.85 1nwu s LEU 137 N 1.23 4.08 -0.56 -1.34 1.43 -0.44 -0.85 118.68 122.23 1nwu s LEU 137 Ca 0.03 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 1nwu s LEU 137 Cb -0.14 -2.82 0.29 0.00 0.03 0.00 0.00 46.19 43.55 1nwu s LEU 137 CO -0.06 -0.33 0.78 0.00 0.23 0.00 0.00 176.35 176.97 1nwu n ALA 138 N 5.49 3.85 -2.76 4.21 0.00 -0.16 -1.25 120.51 129.90 1nwu n ALA 138 Ca -0.02 -4.44 -0.43 0.00 0.00 0.00 0.00 53.44 48.56 1nwu n ALA 138 Cb 0.49 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 1nwu n ALA 138 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nwu s TRP 139 N -2.62 2.79 -0.60 0.00 -0.11 -1.26 -0.55 118.94 116.59 1nwu s TRP 139 Ca 0.42 -0.32 -0.04 0.00 1.22 0.00 0.00 56.10 57.39 1nwu s TRP 139 Cb 0.21 -4.07 0.16 0.00 -1.50 0.00 0.00 33.47 28.27 1nwu s TRP 139 CO -0.07 -1.41 0.43 -0.51 -4.62 0.00 0.00 176.95 170.76 1nwu s LEU 140 N 3.76 5.39 0.10 5.86 1.43 -1.26 -3.83 118.68 130.13 1nwu s LEU 140 Ca 0.25 -2.67 -0.08 0.00 -1.03 0.00 0.00 54.13 50.59 1nwu s LEU 140 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1nwu s LEU 140 CO 0.14 -0.43 0.19 -0.31 0.23 0.00 0.00 176.35 176.17 1nwu s TYR 141 N 0.21 0.23 0.85 0.29 1.51 -1.26 -4.26 117.35 114.92 1nwu s TYR 141 Ca 0.15 -0.65 -0.13 0.00 -1.01 0.00 0.00 57.07 55.43 1nwu s TYR 141 Cb -0.20 -0.09 0.08 0.00 -0.11 0.00 0.00 41.96 41.64 1nwu s TYR 141 CO -0.04 -0.56 0.98 -2.30 -1.11 0.00 0.00 175.55 172.53 1nwu n PRO 142 N -0.07 -0.06 -2.13 -1.71 -0.02 -1.25 -4.86 135.00 124.90 1nwu n PRO 142 Ca -0.14 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.28 1nwu n PRO 142 Cb 0.62 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1nwu n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwu n GLY 143 N 0.75 1.81 0.22 -1.23 0.00 -1.26 -4.58 105.19 100.90 1nwu n GLY 143 Ca 0.12 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 44.01 1nwu n GLY 143 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nwu h ARG 144 N 0.00 0.08 0.00 1.61 3.08 -1.94 -1.64 114.38 115.56 1nwu h ARG 144 Ca -0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1nwu h ARG 144 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1nwu h ARG 144 CO 0.23 0.27 0.00 0.07 -1.07 0.00 0.00 179.97 179.47 1nwu h ARG 145 N 0.08 0.00 -0.12 0.04 -0.00 -1.92 -3.25 114.38 109.21 1nwu h ARG 145 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 1nwu h ARG 145 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.35 1nwu h ARG 145 CO 0.03 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.75 1nwu n ASP 146 N -2.81 2.38 -0.17 0.08 8.00 -0.66 -4.69 116.55 118.68 1nwu n ASP 146 Ca 0.03 -1.68 -0.04 0.00 0.71 0.00 0.00 54.79 53.81 1nwu n ASP 146 Cb 0.38 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1nwu n ASP 146 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nwu h LYS 147 N 2.63 -0.11 -0.46 -1.24 3.64 -1.49 0.21 116.57 119.74 1nwu h LYS 147 Ca 0.00 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1nwu h LYS 147 Cb 0.62 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1nwu h LYS 147 CO 0.00 -0.07 -0.25 1.96 -2.27 0.00 0.00 179.45 178.82 1nwu h GLN 148 N -0.12 0.99 -0.98 1.90 7.50 -1.85 -2.73 115.11 119.82 1nwu h GLN 148 Ca 0.24 -0.44 0.02 0.00 0.50 0.00 0.00 58.65 58.97 1nwu h GLN 148 Cb 0.50 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.95 1nwu h GLN 148 CO -0.61 1.12 0.64 0.45 -1.50 0.00 0.00 178.83 178.93 1nwu h HIS 149 N 0.84 1.22 -0.50 2.96 3.86 -1.59 0.07 115.15 122.01 1nwu h HIS 149 Ca 0.10 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1nwu h HIS 149 Cb 0.83 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1nwu h HIS 149 CO 0.06 0.75 0.33 0.35 0.86 0.00 0.00 177.93 180.27 1nwu h PHE 150 N 1.30 0.63 -0.31 2.45 3.57 -0.47 0.15 116.94 124.25 1nwu h PHE 150 Ca 0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1nwu h PHE 150 Cb -0.11 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1nwu h PHE 150 CO -0.00 0.40 0.21 1.15 -2.23 0.00 0.00 178.31 177.83 1nwu h THR 151 N 0.67 1.09 -0.35 4.41 2.02 -1.00 -1.75 112.91 117.99 1nwu h THR 151 Ca 0.18 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1nwu h THR 151 Cb -0.07 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1nwu h THR 151 CO -0.04 0.08 0.19 0.74 0.37 0.00 0.00 175.52 176.86 1nwu h THR 152 N 0.42 1.15 -0.23 3.16 2.02 -0.58 -0.19 112.91 118.66 1nwu h THR 152 Ca 0.11 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.94 1nwu h THR 152 Cb -0.04 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1nwu h THR 152 CO -0.02 0.15 -0.08 0.25 0.37 0.00 0.00 175.52 176.19 1nwu h LEU 153 N 0.44 -0.27 -0.65 2.58 5.85 -0.51 0.82 115.31 123.57 1nwu h LEU 153 Ca 0.12 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1nwu h LEU 153 Cb 0.08 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1nwu h LEU 153 CO -0.02 -0.10 0.21 0.40 -0.34 0.00 0.00 178.44 178.59 1nwu h ILE 154 N -0.03 1.25 -0.13 4.05 2.04 -1.14 -0.39 117.51 123.15 1nwu h ILE 154 Ca 0.11 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1nwu h ILE 154 Cb 0.21 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1nwu h ILE 154 CO -0.25 0.33 0.06 0.50 0.00 0.00 0.00 178.15 178.78 1nwu h LYS 155 N 0.94 0.19 -0.05 2.37 3.64 -0.54 -2.30 116.57 120.83 1nwu h LYS 155 Ca 0.21 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1nwu h LYS 155 Cb 0.28 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1nwu h LYS 155 CO -0.01 0.27 -0.68 0.93 -2.27 0.00 0.00 179.45 177.70 1nwu h GLU 156 N 0.07 0.23 -0.51 1.90 5.08 -0.78 -2.39 114.58 118.17 1nwu h GLU 156 Ca 0.04 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1nwu h GLU 156 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1nwu h GLU 156 CO -0.00 0.82 0.13 1.98 -1.00 0.00 0.00 179.01 180.94 1nwu h MET 157 N 0.16 0.82 -0.49 2.33 4.05 -1.03 -1.36 114.93 119.42 1nwu h MET 157 Ca -0.02 -0.20 -0.07 0.00 -0.28 0.00 0.00 59.70 59.14 1nwu h MET 157 Cb 1.22 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 1nwu h MET 157 CO 0.10 0.79 0.04 -0.22 0.23 0.00 0.00 176.91 177.85 1nwu h LYS 158 N 0.71 0.79 -0.01 0.39 1.63 -1.37 -1.48 116.57 117.23 1nwu h LYS 158 Ca 0.16 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1nwu h LYS 158 Cb 0.33 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1nwu h LYS 158 CO 0.00 0.77 -0.01 0.00 -3.45 0.00 0.00 179.45 176.76 1nwu h ALA 159 N 1.30 0.00 -0.55 5.00 0.00 -0.93 -0.94 119.26 123.14 1nwu h ALA 159 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nwu h ALA 159 Cb 0.40 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1nwu h ALA 159 CO 0.01 -0.50 0.29 1.49 0.00 0.00 0.00 179.25 180.54 1nwu h GLU 160 N -0.01 0.54 -0.89 0.00 4.57 -0.92 -0.64 114.58 117.22 1nwu h GLU 160 Ca 0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1nwu h GLU 160 Cb 0.02 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1nwu h GLU 160 CO -0.02 0.36 0.57 0.74 -1.18 0.00 0.00 179.01 179.48 1nwu h PHE 161 N 0.55 1.15 -0.51 0.92 -1.00 -0.89 0.12 116.94 117.28 1nwu h PHE 161 Ca 0.24 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.98 1nwu h PHE 161 Cb 0.15 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 1nwu h PHE 161 CO -0.10 0.74 0.08 0.82 -1.61 0.00 0.00 178.31 178.25 1nwu h ILE 162 N 1.22 1.25 0.26 -0.55 2.04 -0.54 -2.68 117.51 118.51 1nwu h ILE 162 Ca 0.32 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1nwu h ILE 162 Cb -0.10 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1nwu h ILE 162 CO -0.07 0.33 -0.13 0.50 0.00 0.00 0.00 178.15 178.79 1nwu h LYS 163 N 0.71 -0.34 -0.49 2.37 3.64 -0.60 -0.49 116.57 121.36 1nwu h LYS 163 Ca 0.15 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.70 1nwu h LYS 163 Cb 0.40 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1nwu h LYS 163 CO 0.01 -0.15 0.42 1.49 -2.27 0.00 0.00 179.45 178.94 1nwu h GLU 164 N -0.46 0.00 -0.02 1.90 4.22 -0.72 -0.42 114.58 119.09 1nwu h GLU 164 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1nwu h GLU 164 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1nwu h GLU 164 CO 0.06 0.00 -0.28 0.00 -2.18 0.00 0.00 179.01 176.61 1nwu n ALA 165 N -2.51 3.09 -0.31 2.92 0.00 -1.02 -4.62 120.51 118.06 1nwu n ALA 165 Ca 0.09 -0.60 0.16 0.00 0.00 0.00 0.00 53.44 53.10 1nwu n ALA 165 Cb 0.62 -0.65 0.34 0.00 0.00 0.00 0.00 19.45 19.77 1nwu n ALA 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1nwu h GLN 166 N 2.49 0.19 -0.20 0.00 -0.00 0.63 0.14 115.11 118.36 1nwu h GLN 166 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.70 1nwu h GLN 166 Cb 0.67 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 28.10 1nwu h GLN 166 CO 0.00 0.12 0.17 -1.00 -0.00 0.00 0.00 178.83 178.12 1nwu h PRO 167 N 0.19 0.00 0.00 0.06 0.13 -1.82 -3.44 132.00 127.13 1nwu h PRO 167 Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.74 1nwu h PRO 167 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1nwu h PRO 167 CO -0.68 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.50 1nwu n GLY 168 N -1.51 -0.28 3.90 1.56 0.00 0.43 -5.16 105.19 104.12 1nwu n GLY 168 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1nwu n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nwu s LYS 169 N 0.00 1.88 -0.55 1.61 1.02 -0.84 -4.97 119.74 117.89 1nwu s LYS 169 Ca 0.00 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.81 1nwu s LYS 169 Cb 0.00 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1nwu s LYS 169 CO 0.00 -1.65 1.14 0.21 -0.92 0.00 0.00 175.35 174.13 1nwu s LYS 170 N -5.58 3.55 0.24 1.68 2.20 -1.26 -4.89 119.74 115.68 1nwu s LYS 170 Ca 0.63 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 1nwu s LYS 170 Cb -0.11 -3.99 -0.14 0.00 -1.51 0.00 0.00 37.83 32.08 1nwu s LYS 170 CO 0.49 -1.57 1.16 0.94 -0.36 0.00 0.00 175.35 176.02 1nwu n GLN 171 N 8.14 1.47 -2.10 4.03 7.27 -1.26 -4.93 117.38 129.99 1nwu n GLN 171 Ca 0.09 0.52 -0.38 0.00 0.07 0.00 0.00 57.00 57.30 1nwu n GLN 171 Cb 0.49 -2.01 0.00 0.00 2.41 0.00 0.00 30.24 31.14 1nwu n GLN 171 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nwu s LEU 172 N 0.37 4.01 0.20 1.69 1.43 -1.26 -4.98 118.68 120.13 1nwu s LEU 172 Ca 0.66 2.48 -0.13 0.00 -1.03 0.00 0.00 54.13 56.10 1nwu s LEU 172 Cb -0.74 -4.19 -0.07 0.00 0.03 0.00 0.00 46.19 41.22 1nwu s LEU 172 CO 0.55 -1.07 0.58 -0.76 0.23 0.00 0.00 176.35 175.88 1nwu s LEU 173 N -3.05 4.25 -0.11 1.79 1.43 0.32 -4.93 118.68 118.38 1nwu s LEU 173 Ca 0.64 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1nwu s LEU 173 Cb -0.33 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1nwu s LEU 173 CO 0.40 0.01 -0.08 -0.22 0.23 0.00 0.00 176.35 176.69 1nwu s LEU 174 N -2.36 1.20 0.42 1.79 2.96 -1.26 -0.27 118.68 121.16 1nwu s LEU 174 Ca 0.43 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1nwu s LEU 174 Cb -0.13 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 1nwu s LEU 174 CO 0.20 -0.11 0.10 -0.94 -1.32 0.00 0.00 176.35 174.28 1nwu s SER 175 N 1.68 2.98 -0.18 3.68 1.04 -0.40 -0.03 113.70 122.47 1nwu s SER 175 Ca 0.04 -1.65 -0.15 0.00 0.48 0.00 0.00 55.95 54.68 1nwu s SER 175 Cb -0.13 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1nwu s SER 175 CO -0.08 -0.90 0.47 0.00 0.98 0.00 0.00 173.24 173.71 1nwu s ALA 176 N -3.16 -1.17 -0.30 5.32 0.00 -1.15 -1.32 121.76 119.97 1nwu s ALA 176 Ca 0.22 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 1nwu s ALA 176 Cb 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1nwu s ALA 176 CO 0.13 -0.24 0.34 0.00 0.00 0.00 0.00 175.76 175.99 1nwu s ALA 177 N 0.55 3.53 0.12 0.00 0.00 -0.38 -0.82 121.76 124.76 1nwu s ALA 177 Ca -0.02 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1nwu s ALA 177 Cb -0.04 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1nwu s ALA 177 CO -0.03 -0.81 -0.10 -0.51 0.00 0.00 0.00 175.76 174.31 1nwu s LEU 178 N 2.01 3.03 0.57 0.00 1.43 0.82 -4.61 118.68 121.93 1nwu s LEU 178 Ca 0.13 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 1nwu s LEU 178 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1nwu s LEU 178 CO 0.11 0.16 1.26 -0.55 0.23 0.00 0.00 176.35 177.56 1nwu s SER 179 N -2.32 5.27 0.00 2.29 0.15 -1.26 -0.77 113.70 117.07 1nwu s SER 179 Ca 0.22 2.52 0.22 0.00 0.70 0.00 0.00 55.95 59.61 1nwu s SER 179 Cb -0.11 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.90 1nwu s SER 179 CO 0.14 -1.55 1.30 0.00 1.20 0.00 0.00 173.24 174.34 1nwu n ALA 180 N -1.31 2.43 -2.68 5.45 0.00 -1.25 -4.64 120.51 118.51 1nwu n ALA 180 Ca 0.12 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1nwu n ALA 180 Cb 0.48 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1nwu n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nwu s GLY 181 N -1.62 2.31 0.22 0.00 0.00 -1.26 -4.72 107.32 102.25 1nwu s GLY 181 Ca 0.32 0.20 -0.09 0.00 0.00 0.00 0.00 44.72 45.15 1nwu s GLY 181 CO 0.29 1.70 1.70 1.70 0.00 0.00 0.00 173.10 178.49 1nwu h LYS 182 N 7.15 0.26 -0.24 2.90 3.64 -1.92 0.44 116.57 128.80 1nwu h LYS 182 Ca -0.32 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1nwu h LYS 182 Cb 1.15 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1nwu h LYS 182 CO 0.83 0.17 0.09 0.28 -2.27 0.00 0.00 179.45 178.54 1nwu h VAL 183 N 0.27 0.94 -0.47 2.00 2.07 -1.99 0.14 116.25 119.21 1nwu h VAL 183 Ca 0.34 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 1nwu h VAL 183 Cb 0.51 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1nwu h VAL 183 CO -0.42 0.04 0.08 0.74 0.02 0.00 0.00 177.57 178.02 1nwu h THR 184 N 0.20 1.25 -0.31 2.57 2.02 -1.82 -2.25 112.91 114.57 1nwu h THR 184 Ca 0.10 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.39 1nwu h THR 184 Cb 0.07 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1nwu h THR 184 CO -0.10 0.32 0.17 0.40 0.37 0.00 0.00 175.52 176.68 1nwu h ILE 185 N 0.65 1.03 -0.47 3.11 2.04 -0.61 0.25 117.51 123.51 1nwu h ILE 185 Ca 0.14 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1nwu h ILE 185 Cb 0.38 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1nwu h ILE 185 CO 0.01 0.07 0.09 0.44 0.00 0.00 0.00 178.15 178.75 1nwu h ASP 186 N 0.36 0.67 0.62 1.72 3.32 -0.86 -2.58 116.42 119.67 1nwu h ASP 186 Ca 0.12 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1nwu h ASP 186 Cb 0.00 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1nwu h ASP 186 CO -0.06 0.68 -1.50 -1.54 -1.72 0.00 0.00 179.24 175.11 1nwu n SER 187 N -4.28 0.72 -0.09 6.45 3.41 -0.86 -4.65 113.62 114.32 1nwu n SER 187 Ca 0.03 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1nwu n SER 187 Cb 0.23 0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 1nwu n SER 187 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nwu n SER 188 N -2.81 1.19 -4.55 4.04 7.64 0.87 -3.64 113.62 116.37 1nwu n SER 188 Ca -0.10 -0.04 -0.31 0.00 1.01 0.00 0.00 58.87 59.43 1nwu n SER 188 Cb 0.81 0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 64.45 1nwu n SER 188 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nwu s TYR 189 N -2.43 2.74 -0.84 1.43 2.02 -0.97 -4.20 117.35 115.10 1nwu s TYR 189 Ca -0.15 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1nwu s TYR 189 Cb 0.06 -1.50 0.24 0.00 -0.40 0.00 0.00 41.96 40.36 1nwu s TYR 189 CO 0.65 0.35 0.88 -3.47 -1.57 0.00 0.00 175.55 172.40 1nwu n ASP 190 N 1.26 4.40 -0.31 2.29 -0.08 -1.26 -4.79 116.55 118.06 1nwu n ASP 190 Ca -0.15 -3.29 -0.00 0.00 -1.51 0.00 0.00 54.79 49.84 1nwu n ASP 190 Cb 0.52 -0.96 0.06 0.00 2.34 0.00 0.00 41.12 43.09 1nwu n ASP 190 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nwu h ILE 191 N 3.70 0.09 -0.46 5.18 1.08 -1.92 -1.53 117.51 123.66 1nwu h ILE 191 Ca 0.18 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.72 1nwu h ILE 191 Cb 0.72 0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 1nwu h ILE 191 CO 0.93 0.00 0.14 0.00 -0.69 0.00 0.00 178.15 178.53 1nwu h ALA 192 N 1.46 0.54 0.11 1.87 0.00 -1.80 -1.46 119.26 119.97 1nwu h ALA 192 Ca 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1nwu h ALA 192 Cb 0.60 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nwu h ALA 192 CO -0.88 -0.26 -0.05 -0.22 0.00 0.00 0.00 179.25 177.84 1nwu h LYS 193 N 0.29 -0.14 0.00 0.00 1.63 -1.66 -3.28 116.57 113.41 1nwu h LYS 193 Ca 0.22 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.98 1nwu h LYS 193 Cb 0.25 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1nwu h LYS 193 CO -0.25 0.22 -0.26 -0.84 -3.45 0.00 0.00 179.45 174.87 1nwu h ILE 194 N -0.52 0.70 0.00 2.00 3.07 -1.36 -3.01 117.51 118.40 1nwu h ILE 194 Ca -0.01 -1.12 -0.01 0.00 1.55 0.00 0.00 64.86 65.26 1nwu h ILE 194 Cb 0.42 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1nwu h ILE 194 CO 0.02 0.25 -0.06 0.28 -1.05 0.00 0.00 178.15 177.60 1nwu h SER 195 N 0.00 0.00 -0.33 2.16 0.02 -1.32 -2.04 113.55 112.03 1nwu h SER 195 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1nwu h SER 195 Cb 0.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1nwu h SER 195 CO 0.03 0.06 -0.32 1.56 -1.14 0.00 0.00 176.83 177.03 1nwu h GLN 196 N 0.00 0.86 0.00 3.45 4.20 -1.63 -3.29 115.11 118.70 1nwu h GLN 196 Ca -0.00 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.20 1nwu h GLN 196 Cb 0.11 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1nwu h GLN 196 CO 0.01 1.05 -0.94 0.45 -0.67 0.00 0.00 178.83 178.73 1nwu h HIS 197 N 0.72 0.00 -3.71 2.96 3.86 -1.58 -3.47 115.15 113.94 1nwu h HIS 197 Ca 0.08 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.79 1nwu h HIS 197 Cb 0.88 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 1nwu h HIS 197 CO 0.05 0.36 0.21 -0.51 0.86 0.00 0.00 177.93 178.91 1nwu s LEU 198 N -5.90 4.35 0.28 2.43 1.43 -0.81 -4.90 118.68 115.56 1nwu s LEU 198 Ca 0.00 1.61 0.15 0.00 -1.03 0.00 0.00 54.13 54.86 1nwu s LEU 198 Cb 0.08 -3.77 0.13 0.00 0.03 0.00 0.00 46.19 42.67 1nwu s LEU 198 CO 0.78 -0.01 1.47 0.44 0.23 0.00 0.00 176.35 179.26 1nwu h ASP 199 N 3.33 0.00 -3.88 2.29 3.32 -0.77 -3.47 116.42 117.23 1nwu h ASP 199 Ca -0.47 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.72 1nwu h ASP 199 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 1nwu h ASP 199 CO 0.65 0.53 0.67 0.72 -1.72 0.00 0.00 179.24 180.10 1nwu s PHE 200 N -3.03 -0.26 -0.12 4.55 -0.12 -1.24 -4.85 117.98 112.91 1nwu s PHE 200 Ca 0.03 0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.34 1nwu s PHE 200 Cb 0.08 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 1nwu s PHE 200 CO 0.74 -0.26 -0.17 0.42 -0.05 0.00 0.00 175.22 175.90 1nwu s ILE 201 N -1.29 2.70 -0.34 -4.49 1.01 0.60 -2.96 121.20 116.43 1nwu s ILE 201 Ca 0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1nwu s ILE 201 Cb -0.01 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1nwu s ILE 201 CO -0.02 0.54 0.19 -0.44 0.00 0.00 0.00 174.94 175.21 1nwu s SER 202 N 0.29 5.73 -0.21 3.58 0.01 -0.00 -0.26 113.70 122.84 1nwu s SER 202 Ca -0.13 -0.68 -0.19 0.00 1.31 0.00 0.00 55.95 56.26 1nwu s SER 202 Cb -0.16 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1nwu s SER 202 CO 0.07 -0.28 0.54 -0.51 0.41 0.00 0.00 173.24 173.46 1nwu s ILE 203 N 1.62 5.09 -1.41 1.44 2.07 -0.35 -0.12 121.20 129.53 1nwu s ILE 203 Ca 0.04 0.98 -0.15 0.00 -1.41 0.00 0.00 60.65 60.11 1nwu s ILE 203 Cb -0.18 -3.86 0.04 0.00 0.13 0.00 0.00 42.46 38.60 1nwu s ILE 203 CO 0.07 0.15 2.12 0.23 -1.91 0.00 0.00 174.94 175.60 1nwu n MET 204 N 4.94 2.89 -1.44 3.50 2.81 0.05 -0.80 117.12 129.08 1nwu n MET 204 Ca -0.04 -2.73 -0.40 0.00 -1.81 0.00 0.00 57.70 52.72 1nwu n MET 204 Cb 0.50 -3.33 -0.02 0.00 -0.71 0.00 0.00 33.22 29.66 1nwu n MET 204 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nwu n THR 205 N 5.41 3.13 -3.62 2.03 -2.24 -1.26 -3.80 114.28 113.94 1nwu n THR 205 Ca 0.51 -2.47 -0.03 0.00 -2.27 0.00 0.00 64.05 59.78 1nwu n THR 205 Cb 0.41 -2.50 0.02 0.00 -2.10 0.00 0.00 70.33 66.15 1nwu n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nwu n TYR 206 N 5.83 -1.39 -2.61 4.78 0.18 -1.26 -4.73 117.16 117.97 1nwu n TYR 206 Ca 0.55 -0.93 -0.20 0.00 1.88 0.00 0.00 57.90 59.20 1nwu n TYR 206 Cb 0.34 0.46 0.00 0.00 -0.38 0.00 0.00 39.34 39.77 1nwu n TYR 206 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1nwu n ASP 207 N -1.15 -5.60 0.11 9.48 8.00 -0.59 -4.87 116.55 121.94 1nwu n ASP 207 Ca -0.03 -0.07 0.13 0.00 0.71 0.00 0.00 54.79 55.53 1nwu n ASP 207 Cb 0.36 -4.63 0.38 0.00 -0.02 0.00 0.00 41.12 37.21 1nwu n ASP 207 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1nwu h PHE 208 N -0.40 0.00 -3.89 1.24 0.04 -1.13 -3.46 116.94 109.34 1nwu h PHE 208 Ca -0.47 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.20 1nwu h PHE 208 Cb 1.34 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.36 1nwu h PHE 208 CO 0.58 0.00 -0.37 -1.58 -0.60 0.00 0.00 178.31 176.34 1nwu s HIS 209 N -3.11 0.32 -0.03 -0.55 2.46 -1.26 -4.93 115.29 108.18 1nwu s HIS 209 Ca 0.10 -0.72 -0.30 0.00 0.47 0.00 0.00 55.06 54.61 1nwu s HIS 209 Cb 0.12 -0.09 0.12 0.00 -0.13 0.00 0.00 32.58 32.59 1nwu s HIS 209 CO 0.61 -0.62 1.32 0.20 -2.47 0.00 0.00 174.74 173.77 1nwu s GLY 210 N -2.93 -0.33 0.55 1.59 0.00 -1.26 -4.55 107.32 100.40 1nwu s GLY 210 Ca 0.12 0.52 0.26 0.00 0.00 0.00 0.00 44.72 45.62 1nwu s GLY 210 CO -0.05 2.10 2.03 0.00 0.00 0.00 0.00 173.10 177.18 1nwu h ALA 211 N 2.00 2.21 0.00 3.20 0.00 -1.87 -1.92 119.26 122.88 1nwu h ALA 211 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nwu h ALA 211 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1nwu h ALA 211 CO 0.30 -0.49 0.04 -2.67 0.00 0.00 0.00 179.25 176.42 1nwu n TRP 212 N -4.13 0.00 0.67 0.00 4.27 -1.26 -1.31 117.44 115.67 1nwu n TRP 212 Ca 0.06 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.77 1nwu n TRP 212 Cb 0.48 -0.21 0.10 0.00 -1.36 0.00 0.00 31.31 30.32 1nwu n TRP 212 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1nwu n ARG 213 N -1.17 1.80 -0.57 -2.67 1.74 -0.72 -5.00 116.66 110.07 1nwu n ARG 213 Ca 0.00 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 1nwu n ARG 213 Cb 0.04 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1nwu n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nwu n GLY 214 N 1.10 1.04 3.16 -0.13 0.00 -0.43 -4.97 105.19 104.97 1nwu n GLY 214 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1nwu n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwu s THR 215 N -2.74 0.11 0.40 2.61 -4.23 -1.26 -3.47 115.64 107.05 1nwu s THR 215 Ca 0.00 -1.86 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 1nwu s THR 215 Cb 0.00 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 1nwu s THR 215 CO 0.00 -0.48 1.05 0.42 -0.54 0.00 0.00 174.62 175.06 1nwu s THR 216 N -4.03 3.73 -0.19 3.99 -4.23 -0.48 -4.80 115.64 109.62 1nwu s THR 216 Ca 0.22 1.33 -0.28 0.00 -1.18 0.00 0.00 61.69 61.78 1nwu s THR 216 Cb 0.07 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.34 1nwu s THR 216 CO 0.01 0.01 0.95 -0.83 -0.54 0.00 0.00 174.62 174.22 1nwu s GLY 217 N -1.56 -0.28 0.01 3.99 0.00 -1.26 -0.99 107.32 107.23 1nwu s GLY 217 Ca 0.58 2.15 -0.30 0.00 0.00 0.00 0.00 44.72 47.15 1nwu s GLY 217 CO 0.27 1.32 0.98 -1.58 0.00 0.00 0.00 173.10 174.09 1nwu s HIS 218 N -0.61 3.68 -1.33 1.90 5.65 -1.26 -4.70 115.29 118.62 1nwu s HIS 218 Ca -0.01 1.71 0.29 0.00 0.25 0.00 0.00 55.06 57.30 1nwu s HIS 218 Cb -0.02 -3.11 1.40 0.00 -1.18 0.00 0.00 32.58 29.67 1nwu s HIS 218 CO 0.00 0.02 1.98 -2.39 -0.65 0.00 0.00 174.74 173.70 1nwu n HIS 219 N 3.77 0.00 -2.94 3.88 -0.00 -1.26 -4.19 115.22 114.47 1nwu n HIS 219 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.64 1nwu n HIS 219 Cb 0.51 -0.34 0.02 0.00 -0.00 0.00 0.00 29.99 30.18 1nwu n HIS 219 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nwu n SER 220 N -1.34 0.03 -4.79 4.39 2.88 -1.26 -0.55 113.62 112.98 1nwu n SER 220 Ca 0.12 -3.05 -0.34 0.00 -1.33 0.00 0.00 58.87 54.26 1nwu n SER 220 Cb 0.25 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 1nwu n SER 220 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nwu s PRO 221 N -1.76 3.67 -0.03 -1.46 0.04 -1.26 -4.87 135.00 129.34 1nwu s PRO 221 Ca 0.32 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.59 1nwu s PRO 221 Cb 0.36 -2.08 -0.24 0.00 0.04 0.00 0.00 34.50 32.58 1nwu s PRO 221 CO -0.05 -0.56 1.05 1.25 0.04 0.00 0.00 177.00 178.73 1nwu h LEU 222 N 1.47 0.39 -9.40 -3.56 5.85 -1.55 -0.24 115.31 108.28 1nwu h LEU 222 Ca -0.50 -0.79 -0.57 0.00 0.84 0.00 0.00 57.88 56.87 1nwu h LEU 222 Cb 1.23 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 42.01 1nwu h LEU 222 CO 0.58 1.13 -0.64 -0.36 -0.34 0.00 0.00 178.44 178.81 1nwu s PHE 223 N -3.08 2.26 0.22 1.25 0.08 -1.24 0.06 117.98 117.53 1nwu s PHE 223 Ca -0.14 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.15 1nwu s PHE 223 Cb 0.02 -1.43 0.19 0.00 -0.57 0.00 0.00 43.02 41.23 1nwu s PHE 223 CO 0.79 0.38 1.85 -0.09 -0.10 0.00 0.00 175.22 178.05 1nwu h ARG 224 N 2.02 1.16 0.00 0.44 2.43 -1.90 -3.39 114.38 115.15 1nwu h ARG 224 Ca -0.42 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1nwu h ARG 224 Cb 1.24 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1nwu h ARG 224 CO 0.73 0.84 0.00 0.41 -1.51 0.00 0.00 179.97 180.44 1nwu n GLY 225 N -1.16 -1.16 3.31 2.80 0.00 -1.25 -4.78 105.19 102.96 1nwu n GLY 225 Ca 0.09 -1.24 -0.59 0.00 0.00 0.00 0.00 46.02 44.27 1nwu n GLY 225 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nwu n GLN 226 N 0.00 0.17 -0.11 1.61 7.27 -1.26 -4.76 117.38 120.29 1nwu n GLN 226 Ca 0.00 0.05 0.18 0.00 0.07 0.00 0.00 57.00 57.29 1nwu n GLN 226 Cb 0.00 -1.65 0.58 0.00 2.41 0.00 0.00 30.24 31.58 1nwu n GLN 226 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nwu h GLU 227 N 9.26 0.25 -0.34 3.69 4.22 -1.96 -2.03 114.58 127.67 1nwu h GLU 227 Ca -0.15 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.14 1nwu h GLU 227 Cb 1.40 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1nwu h GLU 227 CO 1.07 0.17 -0.34 -0.44 -2.18 0.00 0.00 179.01 177.29 1nwu h ASP 228 N 0.26 0.79 -0.35 1.04 3.32 -1.99 -3.32 116.42 116.17 1nwu h ASP 228 Ca 0.34 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nwu h ASP 228 Cb 0.95 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1nwu h ASP 228 CO -0.08 1.06 0.00 0.00 -1.72 0.00 0.00 179.24 178.50 1nwu n ALA 229 N -2.51 3.30 -2.62 3.45 0.00 -0.76 -4.91 120.51 116.44 1nwu n ALA 229 Ca -0.01 -1.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.08 1nwu n ALA 229 Cb 0.50 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 1nwu n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nwu s SER 230 N -0.50 1.38 -0.07 0.00 1.04 -1.24 -4.90 113.70 109.41 1nwu s SER 230 Ca 0.33 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.39 1nwu s SER 230 Cb 0.25 -0.15 -0.09 0.00 0.10 0.00 0.00 66.02 66.13 1nwu s SER 230 CO 0.10 0.13 0.52 -0.65 0.98 0.00 0.00 173.24 174.32 1nwu h PRO 231 N 5.77 -0.26 -6.55 4.02 0.11 -1.91 -3.47 132.00 129.72 1nwu h PRO 231 Ca -0.33 0.02 -0.43 0.00 0.11 0.00 0.00 66.00 65.37 1nwu h PRO 231 Cb 1.17 0.06 0.03 0.00 0.11 0.00 0.00 31.00 32.37 1nwu h PRO 231 CO 0.49 -0.01 -0.20 -0.51 -0.21 0.00 0.00 178.00 177.56 1nwu s ASP 232 N -5.34 5.60 -0.01 -2.05 1.01 -1.26 -4.99 116.67 109.63 1nwu s ASP 232 Ca -0.08 -0.25 0.18 0.00 0.71 0.00 0.00 52.55 53.12 1nwu s ASP 232 Cb 0.00 -0.83 -0.24 0.00 1.01 0.00 0.00 42.92 42.87 1nwu s ASP 232 CO 0.26 -0.83 0.57 0.54 0.21 0.00 0.00 175.17 175.92 1nwu n ARG 233 N -1.98 0.85 0.04 8.23 1.74 -1.26 -4.54 116.66 119.75 1nwu n ARG 233 Ca 0.07 -0.09 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 1nwu n ARG 233 Cb 0.59 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.54 1nwu n ARG 233 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1nwu h PHE 234 N 0.00 0.00 0.00 -1.55 0.04 -1.99 -3.42 116.94 110.02 1nwu h PHE 234 Ca 0.00 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.33 1nwu h PHE 234 Cb 0.63 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.79 1nwu h PHE 234 CO 0.00 0.88 2.57 0.43 -0.60 0.00 0.00 178.31 181.59 1nwu n SER 235 N -3.18 6.18 -3.56 2.17 7.64 -1.26 -4.42 113.62 117.18 1nwu n SER 235 Ca -0.06 -2.40 -0.14 0.00 1.01 0.00 0.00 58.87 57.29 1nwu n SER 235 Cb 0.93 -1.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1nwu n SER 235 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nwu s ASN 236 N 2.74 -0.44 0.13 6.43 2.20 -1.26 -4.73 114.94 120.00 1nwu s ASN 236 Ca 0.53 0.14 -0.24 0.00 -0.94 0.00 0.00 52.86 52.34 1nwu s ASN 236 Cb 0.16 0.50 -0.04 0.00 -2.00 0.00 0.00 41.25 39.87 1nwu s ASN 236 CO -0.04 -0.75 1.65 0.74 -2.94 0.00 0.00 177.10 175.76 1nwu h THR 237 N 2.69 0.49 -0.54 0.54 2.02 -1.04 -2.78 112.91 114.28 1nwu h THR 237 Ca -0.31 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.98 1nwu h THR 237 Cb 1.22 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 68.03 1nwu h THR 237 CO 0.41 0.00 0.01 -0.78 0.37 0.00 0.00 175.52 175.54 1nwu h ASP 238 N -0.31 -0.21 -0.31 4.18 3.58 -0.62 -1.38 116.42 121.36 1nwu h ASP 238 Ca 0.08 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1nwu h ASP 238 Cb 0.42 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1nwu h ASP 238 CO -0.23 -0.08 0.20 0.22 -2.88 0.00 0.00 179.24 176.47 1nwu h TYR 239 N 0.13 0.39 -0.36 0.28 3.20 -1.78 -2.14 116.97 116.69 1nwu h TYR 239 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1nwu h TYR 239 Cb 0.43 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1nwu h TYR 239 CO -0.32 0.26 0.21 0.00 -1.64 0.00 0.00 178.16 176.68 1nwu h ALA 240 N 1.10 0.46 0.40 1.82 0.00 -1.13 0.84 119.26 122.73 1nwu h ALA 240 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nwu h ALA 240 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nwu h ALA 240 CO -0.02 -0.13 -0.19 0.28 0.00 0.00 0.00 179.25 179.19 1nwu h VAL 241 N 0.44 0.61 -0.45 0.00 2.07 -1.19 -1.50 116.25 116.22 1nwu h VAL 241 Ca 0.14 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1nwu h VAL 241 Cb -0.00 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1nwu h VAL 241 CO -0.06 0.01 0.17 1.23 0.02 0.00 0.00 177.57 178.93 1nwu h GLY 242 N -0.56 0.60 0.76 2.17 0.00 -1.26 -1.64 103.07 103.13 1nwu h GLY 242 Ca -0.05 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1nwu h GLY 242 CO 0.09 0.03 0.28 -1.82 0.00 0.00 0.00 176.54 175.12 1nwu h TYR 243 N 0.35 0.52 -0.09 5.60 3.20 -0.67 -1.36 116.97 124.51 1nwu h TYR 243 Ca 0.21 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 1nwu h TYR 243 Cb 0.20 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1nwu h TYR 243 CO -0.15 0.27 -0.42 1.98 -1.64 0.00 0.00 178.16 178.20 1nwu h MET 244 N 0.55 0.21 -0.22 1.82 4.05 -0.82 -0.53 114.93 119.98 1nwu h MET 244 Ca 0.23 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1nwu h MET 244 Cb 0.11 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1nwu h MET 244 CO -0.14 0.59 0.04 -0.07 0.23 0.00 0.00 176.91 177.56 1nwu h LEU 245 N 0.17 0.35 -1.30 3.39 3.38 -0.95 -1.52 115.31 118.83 1nwu h LEU 245 Ca 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1nwu h LEU 245 Cb 0.81 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1nwu h LEU 245 CO 0.06 0.51 0.24 -0.09 0.09 0.00 0.00 178.44 179.26 1nwu h ARG 246 N 0.18 0.72 0.00 1.13 2.43 -0.96 -0.16 114.38 117.71 1nwu h ARG 246 Ca 0.07 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1nwu h ARG 246 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1nwu h ARG 246 CO 0.00 0.57 0.00 1.28 -1.51 0.00 0.00 179.97 180.31 1nwu n LEU 247 N -4.37 0.09 0.00 3.80 4.77 -0.23 -4.85 117.00 116.20 1nwu n LEU 247 Ca 0.04 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1nwu n LEU 247 Cb 0.13 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1nwu n LEU 247 CO 0.37 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1nwu n GLY 248 N -0.11 1.33 3.64 -0.72 0.00 -0.08 -3.38 105.19 105.88 1nwu n GLY 248 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1nwu n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 249 N -2.00 3.64 0.27 4.61 0.00 -0.60 -4.59 121.76 123.08 1nwu s ALA 249 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 1nwu s ALA 249 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1nwu s ALA 249 CO 0.00 -1.02 1.57 -2.14 0.00 0.00 0.00 175.76 174.17 1nwu s PRO 250 N 2.99 4.16 0.43 0.00 0.02 -1.26 -4.36 135.00 136.99 1nwu s PRO 250 Ca 0.37 2.50 0.15 0.00 0.02 0.00 0.00 61.00 64.05 1nwu s PRO 250 Cb -0.15 -3.06 1.05 0.00 0.02 0.00 0.00 34.50 32.37 1nwu s PRO 250 CO 0.08 -0.59 1.95 0.00 -0.33 0.00 0.00 177.00 178.11 1nwu h ALA 251 N 5.19 2.09 0.00 -1.55 0.00 -1.92 0.99 119.26 124.05 1nwu h ALA 251 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nwu h ALA 251 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nwu h ALA 251 CO 0.81 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 1nwu n SER 252 N -4.47 0.32 -0.32 0.00 3.41 -1.26 -1.32 113.62 109.98 1nwu n SER 252 Ca 0.12 0.59 0.04 0.00 -0.26 0.00 0.00 58.87 59.36 1nwu n SER 252 Cb 0.46 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1nwu n SER 252 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nwu n LYS 253 N -1.86 0.19 -3.54 4.33 5.02 0.31 -4.36 118.16 118.25 1nwu n LYS 253 Ca 0.02 -0.97 -0.37 0.00 -2.02 0.00 0.00 58.31 54.97 1nwu n LYS 253 Cb 0.17 -1.15 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 1nwu n LYS 253 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nwu s LEU 254 N -0.70 4.11 -0.17 -0.35 2.96 -0.99 -0.29 118.68 123.26 1nwu s LEU 254 Ca 0.09 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1nwu s LEU 254 Cb 0.07 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1nwu s LEU 254 CO 0.10 -0.02 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 1nwu s VAL 255 N 1.30 3.20 -0.20 1.68 1.01 0.64 -0.53 120.40 127.50 1nwu s VAL 255 Ca 0.12 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1nwu s VAL 255 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1nwu s VAL 255 CO 0.07 0.49 0.64 -0.32 0.00 0.00 0.00 175.10 175.98 1nwu s MET 256 N 0.77 4.21 0.20 2.72 1.75 -0.35 -1.21 119.30 127.39 1nwu s MET 256 Ca -0.04 0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 54.74 1nwu s MET 256 Cb -0.15 -3.58 -0.08 0.00 2.84 0.00 0.00 34.83 33.85 1nwu s MET 256 CO 0.01 -0.26 1.16 0.20 -0.65 0.00 0.00 175.02 175.49 1nwu s GLY 257 N 1.22 2.78 -0.06 2.11 0.00 0.02 -0.32 107.32 113.08 1nwu s GLY 257 Ca 0.29 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1nwu s GLY 257 CO 0.10 1.76 -0.05 -0.42 0.00 0.00 0.00 173.10 174.49 1nwu s ILE 258 N -0.30 0.63 0.23 0.90 1.01 0.97 -4.14 121.20 120.50 1nwu s ILE 258 Ca 0.51 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 1nwu s ILE 258 Cb -0.32 -0.67 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 1nwu s ILE 258 CO 0.37 0.27 0.76 -2.16 0.00 0.00 0.00 174.94 174.18 1nwu s PRO 259 N 1.21 4.34 -0.19 2.79 0.04 -1.26 -2.69 135.00 139.24 1nwu s PRO 259 Ca -0.06 0.97 0.16 0.00 0.04 0.00 0.00 61.00 62.11 1nwu s PRO 259 Cb -0.14 -2.92 0.60 0.00 0.04 0.00 0.00 34.50 32.08 1nwu s PRO 259 CO -0.02 0.40 1.50 0.25 0.04 0.00 0.00 177.00 179.18 1nwu n THR 260 N 0.82 2.40 -4.20 1.26 -2.24 -0.45 -4.55 114.28 107.32 1nwu n THR 260 Ca -0.02 -1.78 -0.12 0.00 -2.27 0.00 0.00 64.05 59.86 1nwu n THR 260 Cb 0.51 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1nwu n THR 260 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1nwu s PHE 261 N -2.82 1.06 0.33 4.78 -0.71 -1.26 -1.57 117.98 117.78 1nwu s PHE 261 Ca 0.45 -0.84 0.09 0.00 -1.04 0.00 0.00 56.93 55.59 1nwu s PHE 261 Cb 0.36 -0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 1nwu s PHE 261 CO 0.10 -0.04 0.00 0.20 -1.34 0.00 0.00 175.22 174.14 1nwu s GLY 262 N -3.08 2.02 -0.19 1.99 0.00 0.03 -4.61 107.32 103.49 1nwu s GLY 262 Ca 0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 1nwu s GLY 262 CO -0.02 -1.89 -0.05 0.50 0.00 0.00 0.00 173.10 171.64 1nwu s ARG 263 N -3.70 3.47 0.23 2.90 1.81 -0.65 -2.50 118.95 120.50 1nwu s ARG 263 Ca 0.34 -0.60 0.07 0.00 -1.72 0.00 0.00 55.73 53.82 1nwu s ARG 263 Cb -0.01 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 1nwu s ARG 263 CO 0.19 -0.00 0.11 -1.54 -0.68 0.00 0.00 175.30 173.38 1nwu s SER 264 N 0.97 5.17 0.04 0.23 1.04 -0.75 -1.71 113.70 118.70 1nwu s SER 264 Ca -0.00 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1nwu s SER 264 Cb -0.15 -1.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 1nwu s SER 264 CO 0.01 0.01 -0.02 -0.36 0.98 0.00 0.00 173.24 173.86 1nwu s PHE 265 N -2.04 0.40 -0.28 5.02 0.08 0.94 -1.40 117.98 120.70 1nwu s PHE 265 Ca 0.31 -0.84 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1nwu s PHE 265 Cb -0.08 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 1nwu s PHE 265 CO 0.22 -0.32 0.16 0.99 -0.10 0.00 0.00 175.22 176.18 1nwu s THR 266 N -3.00 4.97 0.44 0.64 2.01 -0.39 -1.68 115.64 118.64 1nwu s THR 266 Ca -0.02 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 1nwu s THR 266 Cb 0.01 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 1nwu s THR 266 CO -0.07 0.23 1.19 -0.76 -0.69 0.00 0.00 174.62 174.52 1nwu s LEU 267 N 1.70 4.08 0.00 4.42 1.43 0.16 -0.85 118.68 129.62 1nwu s LEU 267 Ca 0.06 2.37 0.19 0.00 -1.03 0.00 0.00 54.13 55.72 1nwu s LEU 267 Cb -0.16 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 41.96 1nwu s LEU 267 CO 0.09 -0.86 1.00 0.00 0.23 0.00 0.00 176.35 176.80 1nwu n ALA 268 N -0.28 3.04 -3.00 4.21 0.00 -0.65 -4.59 120.51 119.24 1nwu n ALA 268 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1nwu n ALA 268 Cb 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1nwu n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nwu n SER 269 N 0.30 0.00 0.06 0.00 3.41 -1.26 -5.00 113.62 111.13 1nwu n SER 269 Ca 0.09 -0.72 0.13 0.00 -0.26 0.00 0.00 58.87 58.10 1nwu n SER 269 Cb 0.42 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.85 1nwu n SER 269 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nwu n SER 270 N -1.12 0.44 -4.71 4.04 3.41 -1.26 -4.79 113.62 109.62 1nwu n SER 270 Ca 0.00 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 1nwu n SER 270 Cb 0.00 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 1nwu n SER 270 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nwu s GLU 271 N -3.08 4.38 0.00 4.33 2.02 -1.26 -4.93 118.70 120.17 1nwu s GLU 271 Ca 0.11 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.01 1nwu s GLU 271 Cb 0.14 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1nwu s GLU 271 CO 0.52 -0.33 0.83 0.25 0.02 0.00 0.00 175.26 176.54 1nwu n THR 272 N 3.90 0.68 -2.18 3.63 -2.24 -1.26 -4.72 114.28 112.09 1nwu n THR 272 Ca 0.10 -0.70 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 1nwu n THR 272 Cb 0.44 0.68 0.12 0.00 -2.10 0.00 0.00 70.33 69.47 1nwu n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nwu n GLY 273 N -0.34 -0.19 3.72 3.38 0.00 -1.26 -4.95 105.19 105.55 1nwu n GLY 273 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1nwu n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwu s VAL 274 N -2.64 2.76 0.00 1.61 1.01 -1.26 -2.28 120.40 119.60 1nwu s VAL 274 Ca 0.52 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1nwu s VAL 274 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1nwu s VAL 274 CO 0.36 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1nwu n GLY 275 N 3.37 0.71 3.79 4.51 0.00 -0.16 -4.96 105.19 112.45 1nwu n GLY 275 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1nwu n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 276 N -2.04 2.64 0.40 4.61 0.00 -0.96 -4.55 121.76 121.85 1nwu s ALA 276 Ca 0.00 0.45 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1nwu s ALA 276 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1nwu s ALA 276 CO 0.00 -0.98 1.33 -2.14 0.00 0.00 0.00 175.76 173.96 1nwu s PRO 277 N -4.09 4.02 0.12 0.00 0.02 -1.26 -1.38 135.00 132.42 1nwu s PRO 277 Ca 0.65 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.92 1nwu s PRO 277 Cb -0.18 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 1nwu s PRO 277 CO 0.39 -0.47 -0.09 0.96 -0.33 0.00 0.00 177.00 177.45 1nwu s ILE 278 N -1.23 0.97 -1.42 2.83 -4.36 -1.23 -1.63 121.20 115.14 1nwu s ILE 278 Ca 0.56 -1.92 0.16 0.00 -0.26 0.00 0.00 60.65 59.19 1nwu s ILE 278 Cb -0.39 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 1nwu s ILE 278 CO 0.51 -0.74 0.84 -1.54 0.24 0.00 0.00 174.94 174.26 1nwu n SER 279 N 0.04 1.55 0.00 4.36 3.41 -0.03 -4.70 113.62 118.26 1nwu n SER 279 Ca -0.12 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1nwu n SER 279 Cb 0.60 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1nwu n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwu n GLY 280 N 1.18 -0.42 3.67 5.00 0.00 -1.25 -5.00 105.19 108.36 1nwu n GLY 280 Ca 0.06 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1nwu n GLY 280 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nwu s PRO 281 N -2.00 0.87 0.90 1.61 0.04 -1.26 -1.26 135.00 133.89 1nwu s PRO 281 Ca 0.00 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 1nwu s PRO 281 Cb 0.00 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.92 1nwu s PRO 281 CO 0.00 -2.55 1.11 0.20 0.04 0.00 0.00 177.00 175.80 1nwu s GLY 282 N -3.12 1.59 0.20 0.56 0.00 -0.49 -3.40 107.32 102.66 1nwu s GLY 282 Ca 0.65 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.74 1nwu s GLY 282 CO 0.58 0.20 1.43 -0.42 0.00 0.00 0.00 173.10 174.89 1nwu s ILE 283 N -3.12 2.88 0.38 0.90 1.01 -1.26 -2.45 121.20 119.53 1nwu s ILE 283 Ca 0.63 0.69 -0.25 0.00 0.00 0.00 0.00 60.65 61.72 1nwu s ILE 283 Cb -0.16 -3.44 -0.12 0.00 0.01 0.00 0.00 42.46 38.75 1nwu s ILE 283 CO 0.55 0.09 0.99 -2.65 0.00 0.00 0.00 174.94 173.92 1nwu n PRO 284 N 3.00 1.35 -1.77 2.79 -0.02 -1.26 -4.69 135.00 134.40 1nwu n PRO 284 Ca 0.09 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1nwu n PRO 284 Cb 0.41 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.96 1nwu n PRO 284 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nwu s GLY 285 N -0.67 2.00 0.28 -1.23 0.00 -1.25 -4.83 107.32 101.61 1nwu s GLY 285 Ca 0.61 0.38 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 1nwu s GLY 285 CO 0.58 0.71 1.95 3.21 0.00 0.00 0.00 173.10 179.55 1nwu h ARG 286 N -0.09 1.19 0.02 2.90 3.08 -1.96 -1.51 114.38 118.01 1nwu h ARG 286 Ca -0.46 -0.07 -0.38 0.00 0.07 0.00 0.00 59.98 59.14 1nwu h ARG 286 Cb 1.23 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 1nwu h ARG 286 CO 0.55 0.79 -2.39 1.19 -1.07 0.00 0.00 179.97 179.04 1nwu n PHE 287 N -4.40 0.21 0.14 3.04 3.01 -1.26 -4.50 117.46 113.69 1nwu n PHE 287 Ca 0.11 0.05 0.03 0.00 1.01 0.00 0.00 57.45 58.64 1nwu n PHE 287 Cb 0.03 -1.03 0.03 0.00 -0.01 0.00 0.00 39.48 38.50 1nwu n PHE 287 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1nwu h THR 288 N 0.01 0.79 -6.69 4.37 1.35 -1.94 -3.43 112.91 107.37 1nwu h THR 288 Ca -0.55 -2.13 -0.54 0.00 -0.55 0.00 0.00 66.41 62.64 1nwu h THR 288 Cb 1.95 2.38 -0.06 0.00 -1.73 0.00 0.00 68.15 70.68 1nwu h THR 288 CO -0.05 0.45 -0.94 0.29 -0.25 0.00 0.00 175.52 175.01 1nwu n LYS 289 N -3.20 -1.72 -3.50 4.72 5.02 -0.57 -4.89 118.16 114.01 1nwu n LYS 289 Ca 0.02 0.27 -0.20 0.00 -2.02 0.00 0.00 58.31 56.37 1nwu n LYS 289 Cb 0.73 -3.82 -0.13 0.00 -0.02 0.00 0.00 35.03 31.79 1nwu n LYS 289 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nwu s GLU 290 N -6.84 0.18 0.14 1.97 2.12 -1.26 -4.90 118.70 110.10 1nwu s GLU 290 Ca 0.18 0.09 -0.35 0.00 0.36 0.00 0.00 54.97 55.26 1nwu s GLU 290 Cb -0.08 -1.26 -0.16 0.00 0.26 0.00 0.00 34.13 32.89 1nwu s GLU 290 CO 0.93 -0.71 1.35 0.00 -0.54 0.00 0.00 175.26 176.29 1nwu n ALA 291 N 5.31 -0.30 -0.21 6.30 0.00 -1.26 -1.38 120.51 128.97 1nwu n ALA 291 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1nwu n ALA 291 Cb 0.49 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1nwu n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwu n GLY 292 N 2.53 0.81 3.10 0.00 0.00 -1.03 -4.81 105.19 105.79 1nwu n GLY 292 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1nwu n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nwu s THR 293 N -2.56 0.96 -0.08 2.61 2.01 -0.48 -1.80 115.64 116.30 1nwu s THR 293 Ca 0.00 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1nwu s THR 293 Cb 0.00 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.70 1nwu s THR 293 CO 0.00 0.10 0.19 -0.76 -0.69 0.00 0.00 174.62 173.46 1nwu s LEU 294 N -0.74 0.67 0.69 4.42 1.43 -1.04 -3.93 118.68 120.19 1nwu s LEU 294 Ca 0.02 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1nwu s LEU 294 Cb -0.06 0.54 0.01 0.00 0.03 0.00 0.00 46.19 46.71 1nwu s LEU 294 CO 0.00 -0.14 1.06 0.00 0.23 0.00 0.00 176.35 177.50 1nwu s ALA 295 N 1.08 2.70 0.28 4.21 0.00 -1.26 -0.79 121.76 127.98 1nwu s ALA 295 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1nwu s ALA 295 Cb -0.10 -3.15 0.43 0.00 0.00 0.00 0.00 23.12 20.30 1nwu s ALA 295 CO -0.06 -1.19 1.92 -0.92 0.00 0.00 0.00 175.76 175.50 1nwu h TYR 296 N -0.70 1.13 -0.09 0.00 3.20 0.19 -0.25 116.97 120.45 1nwu h TYR 296 Ca -0.44 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.39 1nwu h TYR 296 Cb 1.21 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1nwu h TYR 296 CO 0.61 0.64 -0.23 0.10 -1.64 0.00 0.00 178.16 177.63 1nwu h TYR 297 N 1.15 0.16 -0.04 -3.82 -0.00 -1.79 -0.71 116.97 111.91 1nwu h TYR 297 Ca 0.38 -0.02 -0.16 0.00 0.00 0.00 0.00 58.73 58.93 1nwu h TYR 297 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 36.73 1nwu h TYR 297 CO -0.00 0.37 -0.68 0.93 -0.00 0.00 0.00 178.16 178.79 1nwu h GLU 298 N 0.14 0.19 -0.54 0.10 5.08 -1.56 -3.02 114.58 114.97 1nwu h GLU 298 Ca 0.02 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1nwu h GLU 298 Cb 0.49 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1nwu h GLU 298 CO 0.03 0.79 -0.12 0.82 -1.00 0.00 0.00 179.01 179.54 1nwu h ILE 299 N 0.13 1.27 -0.32 3.13 2.04 -0.20 -1.52 117.51 122.04 1nwu h ILE 299 Ca -0.01 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.61 1nwu h ILE 299 Cb 1.21 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1nwu h ILE 299 CO 0.10 0.45 0.21 0.00 0.00 0.00 0.00 178.15 178.92 1nwu h ASP 301 N 0.26 0.18 -0.99 0.00 3.32 -1.39 -3.19 116.42 114.61 1nwu h ASP 301 Ca 0.13 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 56.71 1nwu h ASP 301 Cb 0.21 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.61 1nwu h ASP 301 CO -0.03 0.77 0.61 0.15 -1.72 0.00 0.00 179.24 179.02 1nwu h PHE 302 N -0.40 1.09 -0.10 4.55 3.57 -0.12 -1.16 116.94 124.36 1nwu h PHE 302 Ca -0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1nwu h PHE 302 Cb 0.75 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1nwu h PHE 302 CO 0.13 0.36 0.14 -0.07 -2.23 0.00 0.00 178.31 176.64 1nwu h LEU 303 N 0.89 0.00 -8.88 0.59 3.38 -0.16 -3.36 115.31 107.77 1nwu h LEU 303 Ca 0.52 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.91 1nwu h LEU 303 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1nwu h LEU 303 CO -0.31 0.00 1.33 -0.13 0.09 0.00 0.00 178.44 179.42 1nwu s ARG 304 N -4.52 3.26 0.00 1.13 0.52 -0.44 -1.10 118.95 117.80 1nwu s ARG 304 Ca -0.05 1.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 1nwu s ARG 304 Cb 0.14 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1nwu s ARG 304 CO 0.50 -1.95 0.00 0.41 0.02 0.00 0.00 175.30 174.28 1nwu n GLY 305 N 5.51 0.72 3.91 -3.53 0.00 -1.26 -5.05 105.19 105.49 1nwu n GLY 305 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1nwu n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 306 N -2.26 4.02 -0.16 4.61 0.00 -0.26 -4.93 121.76 122.79 1nwu s ALA 306 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 1nwu s ALA 306 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1nwu s ALA 306 CO 0.00 -0.02 -0.03 0.99 0.00 0.00 0.00 175.76 176.71 1nwu s THR 307 N -2.25 3.91 -0.15 0.00 2.01 -0.68 -4.95 115.64 113.53 1nwu s THR 307 Ca 0.43 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1nwu s THR 307 Cb -0.07 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1nwu s THR 307 CO 0.29 0.48 0.00 -0.69 -0.69 0.00 0.00 174.62 174.01 1nwu s VAL 308 N 0.48 4.25 -0.05 3.82 1.01 -1.26 -1.40 120.40 127.25 1nwu s VAL 308 Ca -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1nwu s VAL 308 Cb -0.14 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1nwu s VAL 308 CO 0.03 0.51 -0.21 -1.00 0.00 0.00 0.00 175.10 174.43 1nwu s HIS 309 N 0.09 2.05 -0.29 5.22 3.76 -0.42 -4.99 115.29 120.70 1nwu s HIS 309 Ca 0.02 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.14 1nwu s HIS 309 Cb -0.13 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 1nwu s HIS 309 CO 0.02 -0.18 0.58 1.03 -0.85 0.00 0.00 174.74 175.33 1nwu s ARG 310 N -0.07 3.93 -0.44 1.40 1.81 -1.26 -1.84 118.95 122.48 1nwu s ARG 310 Ca -0.03 0.26 -0.29 0.00 -1.72 0.00 0.00 55.73 53.95 1nwu s ARG 310 Cb -0.12 -3.71 0.02 0.00 -0.45 0.00 0.00 34.95 30.69 1nwu s ARG 310 CO 0.03 -0.50 1.30 0.42 -0.68 0.00 0.00 175.30 175.87 1nwu s ILE 311 N 2.47 4.03 0.33 1.52 1.01 0.07 -4.97 121.20 125.66 1nwu s ILE 311 Ca 0.23 1.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 1nwu s ILE 311 Cb -0.15 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.84 1nwu s ILE 311 CO 0.11 -0.86 1.37 -0.76 0.00 0.00 0.00 174.94 174.80 1nwu s LEU 312 N 5.04 4.39 0.00 2.97 1.43 -1.26 -1.17 118.68 130.08 1nwu s LEU 312 Ca 0.56 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 56.44 1nwu s LEU 312 Cb -0.11 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1nwu s LEU 312 CO 0.32 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1nwu n GLY 313 N 0.89 2.33 0.06 -3.19 0.00 -1.26 -4.49 105.19 99.53 1nwu n GLY 313 Ca 0.01 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1nwu n GLY 313 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwu n GLN 314 N 0.00 0.57 -2.00 1.61 6.02 -1.04 -3.82 117.38 118.72 1nwu n GLN 314 Ca 0.00 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 1nwu n GLN 314 Cb 0.00 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 29.56 1nwu n GLN 314 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nwu n GLN 315 N -2.40 -1.26 -4.14 -1.09 1.13 -0.32 -1.37 117.38 107.93 1nwu n GLN 315 Ca -0.01 0.91 -0.11 0.00 -1.94 0.00 0.00 57.00 55.85 1nwu n GLN 315 Cb 0.54 -5.25 -0.10 0.00 0.11 0.00 0.00 30.24 25.53 1nwu n GLN 315 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1nwu s VAL 316 N -2.75 0.63 0.21 5.09 -7.23 -1.25 -4.66 120.40 110.44 1nwu s VAL 316 Ca 0.00 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1nwu s VAL 316 Cb 0.00 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1nwu s VAL 316 CO 0.00 -0.77 0.31 -2.16 -0.31 0.00 0.00 175.10 172.17 1nwu s PRO 317 N -3.34 3.37 0.07 4.82 0.04 -1.24 -0.75 135.00 137.97 1nwu s PRO 317 Ca 0.07 -0.74 0.03 0.00 0.04 0.00 0.00 61.00 60.40 1nwu s PRO 317 Cb 0.02 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1nwu s PRO 317 CO -0.04 0.46 -0.09 1.52 0.04 0.00 0.00 177.00 178.89 1nwu s TYR 318 N -1.90 0.90 0.05 0.56 -0.85 -0.76 -2.12 117.35 113.22 1nwu s TYR 318 Ca 0.34 -0.60 0.06 0.00 -0.52 0.00 0.00 57.07 56.36 1nwu s TYR 318 Cb -0.10 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.70 1nwu s TYR 318 CO 0.28 -0.04 -0.18 0.00 -1.52 0.00 0.00 175.55 174.09 1nwu s ALA 319 N -1.98 1.53 0.01 9.51 0.00 -0.11 -1.30 121.76 129.42 1nwu s ALA 319 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1nwu s ALA 319 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1nwu s ALA 319 CO -0.00 0.32 -0.02 -0.08 0.00 0.00 0.00 175.76 175.98 1nwu s THR 320 N -0.89 0.06 -0.29 0.00 -1.32 -0.49 -1.08 115.64 111.64 1nwu s THR 320 Ca 0.05 -0.52 -0.13 0.00 -1.21 0.00 0.00 61.69 59.88 1nwu s THR 320 Cb -0.09 -0.16 0.11 0.00 -1.51 0.00 0.00 72.50 70.85 1nwu s THR 320 CO 0.02 -0.29 0.66 -0.75 -2.21 0.00 0.00 174.62 172.05 1nwu s LYS 321 N -0.84 0.63 5.64 7.08 2.20 -0.70 -1.69 119.74 132.06 1nwu s LYS 321 Ca -0.09 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1nwu s LYS 321 Cb -0.06 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1nwu s LYS 321 CO -0.01 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nwu n GLY 322 N 4.92 2.90 1.34 5.54 0.00 -1.26 -1.59 105.19 117.03 1nwu n GLY 322 Ca -0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 1nwu n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwu n ASN 323 N 0.79 3.28 -4.49 1.61 6.94 -1.26 -4.87 115.26 117.26 1nwu n ASN 323 Ca 0.00 -2.57 -0.31 0.00 -0.02 0.00 0.00 54.58 51.68 1nwu n ASN 323 Cb 0.00 -0.62 -0.12 0.00 -2.36 0.00 0.00 39.78 36.68 1nwu n ASN 323 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1nwu s GLN 324 N -1.70 2.09 -0.12 -3.83 -1.52 -0.62 0.36 119.66 114.33 1nwu s GLN 324 Ca 0.26 -0.98 -0.07 0.00 -1.95 0.00 0.00 55.36 52.62 1nwu s GLN 324 Cb 0.21 -2.22 0.04 0.00 -0.22 0.00 0.00 33.01 30.82 1nwu s GLN 324 CO 0.06 0.54 0.29 -0.46 -0.25 0.00 0.00 175.29 175.47 1nwu s TRP 325 N -0.98 -0.37 -0.06 0.91 -0.00 -0.68 -1.72 118.94 116.04 1nwu s TRP 325 Ca 0.16 0.86 -0.03 0.00 -0.00 0.00 0.00 56.10 57.10 1nwu s TRP 325 Cb -0.11 0.10 0.04 0.00 -0.00 0.00 0.00 33.47 33.50 1nwu s TRP 325 CO 0.07 -0.23 0.13 0.54 -0.00 0.00 0.00 176.95 177.46 1nwu s VAL 326 N 0.95 -0.05 -0.19 5.86 0.11 -0.24 -0.04 120.40 126.80 1nwu s VAL 326 Ca -0.07 0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 1nwu s VAL 326 Cb -0.07 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1nwu s VAL 326 CO -0.07 0.07 0.20 -0.83 -3.33 0.00 0.00 175.10 171.15 1nwu s GLY 327 N 1.13 2.09 0.19 6.54 0.00 -0.69 -0.93 107.32 115.65 1nwu s GLY 327 Ca -0.09 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.98 1nwu s GLY 327 CO -0.05 0.30 0.31 1.58 0.00 0.00 0.00 173.10 175.24 1nwu n TYR 328 N 3.68 -1.23 -5.11 1.90 4.11 -0.90 -1.64 117.16 117.96 1nwu n TYR 328 Ca -0.14 -1.13 -0.32 0.00 -0.00 0.00 0.00 57.90 56.31 1nwu n TYR 328 Cb 0.52 0.36 -0.15 0.00 -0.00 0.00 0.00 39.34 40.07 1nwu n TYR 328 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nwu s ASP 329 N -2.11 3.50 0.36 9.48 1.01 -1.26 -3.67 116.67 123.99 1nwu s ASP 329 Ca 0.13 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 53.06 1nwu s ASP 329 Cb -0.01 -0.59 -0.01 0.00 1.01 0.00 0.00 42.92 43.32 1nwu s ASP 329 CO 0.09 0.33 0.08 -0.90 0.21 0.00 0.00 175.17 174.98 1nwu n ASP 330 N 2.40 1.89 -0.25 0.27 5.68 -1.26 -4.94 116.55 120.34 1nwu n ASP 330 Ca -0.17 -2.78 0.06 0.00 -0.50 0.00 0.00 54.79 51.40 1nwu n ASP 330 Cb 0.52 0.64 0.18 0.00 -1.14 0.00 0.00 41.12 41.31 1nwu n ASP 330 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1nwu h GLN 331 N 0.00 0.22 -0.38 0.11 7.50 -1.93 -0.53 115.11 120.10 1nwu h GLN 331 Ca -0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 58.82 1nwu h GLN 331 Cb 1.01 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.47 1nwu h GLN 331 CO 0.47 0.14 0.12 1.49 -1.50 0.00 0.00 178.83 179.55 1nwu h GLU 332 N 0.22 0.58 -0.26 1.46 4.81 -2.00 -2.53 114.58 116.87 1nwu h GLU 332 Ca 0.41 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.35 1nwu h GLU 332 Cb 0.72 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1nwu h GLU 332 CO -0.54 0.59 -0.52 0.66 -0.73 0.00 0.00 179.01 178.47 1nwu h SER 333 N 0.46 0.81 0.16 1.04 4.64 -1.60 -2.74 113.55 116.32 1nwu h SER 333 Ca 0.12 -0.42 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 1nwu h SER 333 Cb 0.25 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nwu h SER 333 CO -0.00 1.17 -0.22 -0.37 -0.87 0.00 0.00 176.83 176.54 1nwu h VAL 334 N 0.57 1.19 -0.24 0.95 -1.51 -1.11 -0.58 116.25 115.52 1nwu h VAL 334 Ca 0.02 -0.88 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 1nwu h VAL 334 Cb 1.09 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1nwu h VAL 334 CO 0.11 0.26 0.09 0.50 -1.23 0.00 0.00 177.57 177.30 1nwu h LYS 335 N 0.10 0.36 -0.55 5.19 3.64 -1.31 0.11 116.57 124.12 1nwu h LYS 335 Ca 0.02 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1nwu h LYS 335 Cb 0.45 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1nwu h LYS 335 CO 0.03 0.41 0.29 0.77 -2.27 0.00 0.00 179.45 178.69 1nwu h SER 336 N 0.23 0.69 -0.80 4.20 0.02 -1.11 -0.45 113.55 116.33 1nwu h SER 336 Ca 0.08 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1nwu h SER 336 Cb 0.19 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1nwu h SER 336 CO -0.01 0.59 0.43 0.11 -1.14 0.00 0.00 176.83 176.81 1nwu h LYS 337 N 0.73 1.14 -0.51 3.45 1.57 -0.85 -0.39 116.57 121.70 1nwu h LYS 337 Ca 0.19 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1nwu h LYS 337 Cb 0.06 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1nwu h LYS 337 CO -0.03 0.84 -0.02 0.28 -0.57 0.00 0.00 179.45 179.95 1nwu h VAL 338 N 1.14 1.27 -0.99 0.50 2.07 -0.57 -1.20 116.25 118.46 1nwu h VAL 338 Ca 0.28 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1nwu h VAL 338 Cb 0.05 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1nwu h VAL 338 CO -0.04 0.40 0.63 -0.61 0.02 0.00 0.00 177.57 177.97 1nwu h GLN 339 N 0.79 1.11 -0.21 1.57 5.75 -0.38 -0.22 115.11 123.52 1nwu h GLN 339 Ca 0.14 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1nwu h GLN 339 Cb 0.56 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1nwu h GLN 339 CO 0.03 0.73 0.06 -0.92 -2.65 0.00 0.00 178.83 176.08 1nwu h TYR 340 N 1.14 0.35 -0.24 3.99 3.20 -0.62 -1.33 116.97 123.47 1nwu h TYR 340 Ca 0.43 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.16 1nwu h TYR 340 Cb 0.19 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1nwu h TYR 340 CO -0.01 0.44 -0.27 1.37 -1.64 0.00 0.00 178.16 178.06 1nwu h LEU 341 N 0.16 0.46 -0.44 2.82 8.10 -0.65 -1.85 115.31 123.92 1nwu h LEU 341 Ca 0.07 -0.16 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 1nwu h LEU 341 Cb 0.26 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.35 1nwu h LEU 341 CO 0.00 0.72 -0.18 0.11 -4.11 0.00 0.00 178.44 174.98 1nwu h LYS 342 N 0.40 0.90 0.00 0.17 1.57 -0.96 -1.12 116.57 117.53 1nwu h LYS 342 Ca 0.06 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1nwu h LYS 342 Cb 0.68 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1nwu h LYS 342 CO 0.05 1.03 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.43 1nwu h ASP 343 N 0.73 0.00 -0.00 0.86 3.32 -0.91 0.32 116.42 120.74 1nwu h ASP 343 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1nwu h ASP 343 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1nwu h ASP 343 CO 0.06 0.09 -0.03 0.54 -1.72 0.00 0.00 179.24 178.18 1nwu n ARG 344 N -3.80 1.76 -3.71 3.56 5.12 -0.72 -4.96 116.66 113.90 1nwu n ARG 344 Ca -0.02 -1.17 -0.24 0.00 -1.93 0.00 0.00 57.85 54.48 1nwu n ARG 344 Cb 0.19 -1.48 0.05 0.00 -1.16 0.00 0.00 32.46 30.07 1nwu n ARG 344 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nwu n GLN 345 N 0.40 -6.06 -2.14 5.56 6.02 0.10 -4.94 117.38 116.32 1nwu n GLN 345 Ca 0.17 0.69 -0.28 0.00 -0.01 0.00 0.00 57.00 57.58 1nwu n GLN 345 Cb 0.42 -5.54 0.05 0.00 1.02 0.00 0.00 30.24 26.19 1nwu n GLN 345 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nwu s LEU 346 N -6.98 2.96 0.55 1.08 1.43 -0.61 -4.12 118.68 112.99 1nwu s LEU 346 Ca 0.36 0.79 0.33 0.00 -1.03 0.00 0.00 54.13 54.58 1nwu s LEU 346 Cb -0.17 -3.53 1.57 0.00 0.03 0.00 0.00 46.19 44.09 1nwu s LEU 346 CO 0.79 -1.36 2.08 0.00 0.23 0.00 0.00 176.35 178.08 1nwu h ALA 347 N -0.52 1.11 0.00 4.21 0.00 0.51 -3.47 119.26 121.11 1nwu h ALA 347 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nwu h ALA 347 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nwu h ALA 347 CO 0.62 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1nwu n GLY 348 N -0.45 0.18 3.37 0.00 0.00 -1.23 -0.21 105.19 106.85 1nwu n GLY 348 Ca -0.01 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 1nwu n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 349 N -1.00 2.22 0.00 4.61 0.00 -0.78 -1.21 121.76 125.61 1nwu s ALA 349 Ca 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.54 1nwu s ALA 349 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1nwu s ALA 349 CO 0.00 0.37 -0.25 1.41 0.00 0.00 0.00 175.76 177.28 1nwu s MET 350 N -2.51 2.03 -0.12 0.00 0.00 0.56 -1.31 119.30 117.96 1nwu s MET 350 Ca 0.16 -0.98 0.03 0.00 0.00 0.00 0.00 55.69 54.90 1nwu s MET 350 Cb -0.08 -2.04 0.01 0.00 0.00 0.00 0.00 34.83 32.72 1nwu s MET 350 CO 0.07 0.55 -0.21 0.08 0.00 0.00 0.00 175.02 175.51 1nwu s VAL 351 N -0.69 1.94 -0.26 10.11 1.01 0.68 -0.02 120.40 133.18 1nwu s VAL 351 Ca 0.11 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1nwu s VAL 351 Cb -0.10 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.64 1nwu s VAL 351 CO 0.00 0.53 -0.01 0.86 0.00 0.00 0.00 175.10 176.48 1nwu s TRP 352 N 0.66 2.45 0.12 5.22 -0.11 -1.10 -1.84 118.94 124.34 1nwu s TRP 352 Ca -0.12 -1.90 -0.06 0.00 1.22 0.00 0.00 56.10 55.24 1nwu s TRP 352 Cb -0.16 -1.77 -0.02 0.00 -1.50 0.00 0.00 33.47 30.01 1nwu s TRP 352 CO 0.02 -0.81 0.16 0.00 -4.62 0.00 0.00 176.95 171.71 1nwu s ALA 353 N 1.37 0.18 0.27 5.86 0.00 -1.26 -1.34 121.76 126.84 1nwu s ALA 353 Ca -0.01 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1nwu s ALA 353 Cb -0.19 0.66 0.58 0.00 0.00 0.00 0.00 23.12 24.17 1nwu s ALA 353 CO -0.09 -0.53 1.77 -0.07 0.00 0.00 0.00 175.76 176.83 1nwu h LEU 354 N 2.76 0.60 0.00 0.00 3.38 -1.11 -0.13 115.31 120.81 1nwu h LEU 354 Ca -0.33 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nwu h LEU 354 Cb 1.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1nwu h LEU 354 CO 0.56 0.24 0.00 -0.90 0.09 0.00 0.00 178.44 178.43 1nwu n ASP 355 N -4.84 0.00 -0.00 -0.43 5.68 -1.26 -2.55 116.55 113.14 1nwu n ASP 355 Ca 0.18 -0.70 0.07 0.00 -0.50 0.00 0.00 54.79 53.85 1nwu n ASP 355 Cb 0.46 -0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 40.32 1nwu n ASP 355 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1nwu n LEU 356 N -1.03 0.56 -4.90 -2.12 4.77 -0.08 -4.88 117.00 109.31 1nwu n LEU 356 Ca 0.18 -0.41 -0.29 0.00 -0.03 0.00 0.00 56.01 55.46 1nwu n LEU 356 Cb 0.10 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1nwu n LEU 356 CO 0.15 0.14 0.81 -0.62 -1.33 0.00 0.00 177.39 176.53 1nwu s ASP 357 N -2.61 4.06 -1.31 -1.43 -1.08 -1.06 -0.59 116.67 112.66 1nwu s ASP 357 Ca 0.03 0.65 -0.17 0.00 -0.52 0.00 0.00 52.55 52.55 1nwu s ASP 357 Cb 0.11 -1.03 0.08 0.00 -1.46 0.00 0.00 42.92 40.62 1nwu s ASP 357 CO 0.60 -2.17 1.77 -0.67 0.52 0.00 0.00 175.17 175.22 1nwu n ASP 358 N -3.47 4.84 0.20 -0.34 2.03 -1.26 -4.54 116.55 114.01 1nwu n ASP 358 Ca 0.10 -2.92 0.05 0.00 0.52 0.00 0.00 54.79 52.54 1nwu n ASP 358 Cb 0.60 -1.71 0.43 0.00 -0.72 0.00 0.00 41.12 39.73 1nwu n ASP 358 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1nwu h PHE 359 N 7.28 0.00 -0.09 -0.67 -5.15 -1.90 0.62 116.94 117.04 1nwu h PHE 359 Ca 0.45 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 58.05 1nwu h PHE 359 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.00 1nwu h PHE 359 CO 1.39 0.32 -0.68 1.96 -2.00 0.00 0.00 178.31 179.30 1nwu h GLN 360 N 0.00 0.37 0.00 6.09 1.08 -1.89 -3.39 115.11 117.37 1nwu h GLN 360 Ca -0.00 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1nwu h GLN 360 Cb 0.63 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1nwu h GLN 360 CO 0.04 0.91 0.00 0.41 -0.95 0.00 0.00 178.83 179.25 1nwu n GLY 361 N 0.46 0.50 0.00 3.46 0.00 -0.91 -4.77 105.19 103.93 1nwu n GLY 361 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1nwu n GLY 361 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwu n SER 362 N -0.04 0.83 0.09 1.61 3.41 -1.26 -3.17 113.62 115.09 1nwu n SER 362 Ca 0.00 -0.72 -0.24 0.00 -0.26 0.00 0.00 58.87 57.65 1nwu n SER 362 Cb 0.02 1.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.94 1nwu n SER 362 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1nwu h PHE 363 N 0.00 0.79 -0.48 7.33 -1.00 -1.90 -3.35 116.94 118.34 1nwu h PHE 363 Ca 0.00 -0.58 0.00 0.00 2.81 0.00 0.00 57.97 60.20 1nwu h PHE 363 Cb 0.42 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1nwu h PHE 363 CO 0.00 1.66 0.00 0.00 -1.61 0.00 0.00 178.31 178.36 1nwu n GLY 365 N 1.12 -1.05 4.40 0.00 0.00 -1.26 -4.83 105.19 103.58 1nwu n GLY 365 Ca 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1nwu n GLY 365 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwu n GLN 366 N -0.86 0.00 -0.62 1.61 1.13 -1.26 -3.74 117.38 113.64 1nwu n GLN 366 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nwu n GLN 366 Cb 0.00 -3.04 0.00 0.00 0.11 0.00 0.00 30.24 27.31 1nwu n GLN 366 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nwu n ASP 367 N 0.00 -1.79 -4.70 1.08 8.00 -1.19 -4.91 116.55 113.04 1nwu n ASP 367 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1nwu n ASP 367 Cb 0.00 -2.67 -0.03 0.00 -0.02 0.00 0.00 41.12 38.40 1nwu n ASP 367 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nwu s LEU 368 N 0.00 4.31 0.29 0.64 2.96 -1.24 -4.79 118.68 120.85 1nwu s LEU 368 Ca 0.00 1.80 -0.21 0.00 -0.22 0.00 0.00 54.13 55.51 1nwu s LEU 368 Cb 0.00 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 1nwu s LEU 368 CO 0.00 -0.49 0.81 -0.13 -1.32 0.00 0.00 176.35 175.22 1nwu s ARG 369 N 1.70 4.29 -1.28 1.98 0.52 -1.26 -4.12 118.95 120.78 1nwu s ARG 369 Ca 0.55 0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 56.64 1nwu s ARG 369 Cb -0.24 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.52 1nwu s ARG 369 CO 0.24 0.27 0.59 1.19 0.02 0.00 0.00 175.30 177.62 1nwu n PHE 370 N 0.33 -1.74 -0.23 -0.53 3.72 0.16 -4.79 117.46 114.38 1nwu n PHE 370 Ca 0.01 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 1nwu n PHE 370 Cb 0.51 -3.58 0.12 0.00 -0.94 0.00 0.00 39.48 35.60 1nwu n PHE 370 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nwu h PRO 371 N -1.91 0.57 -0.24 -1.08 0.13 -1.75 0.21 132.00 127.93 1nwu h PRO 371 Ca -0.65 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.34 1nwu h PRO 371 Cb 1.37 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nwu h PRO 371 CO 0.56 0.38 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.37 1nwu h LEU 372 N 0.59 0.65 -0.87 1.56 3.38 -1.94 -1.49 115.31 117.19 1nwu h LEU 372 Ca 0.33 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1nwu h LEU 372 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1nwu h LEU 372 CO -0.25 1.00 -0.29 0.74 0.09 0.00 0.00 178.44 179.73 1nwu h THR 373 N 0.31 1.28 -0.16 0.22 2.02 -1.88 -1.87 112.91 112.83 1nwu h THR 373 Ca 0.03 -1.35 -0.16 0.00 0.77 0.00 0.00 66.41 65.70 1nwu h THR 373 Cb 0.83 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1nwu h THR 373 CO 0.06 0.43 -0.57 0.78 0.37 0.00 0.00 175.52 176.60 1nwu h ASN 374 N 0.43 0.56 -0.85 4.18 2.35 -0.95 -1.11 115.58 120.19 1nwu h ASN 374 Ca 0.06 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1nwu h ASN 374 Cb 0.73 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1nwu h ASN 374 CO 0.06 1.01 0.56 0.00 -1.65 0.00 0.00 177.43 177.40 1nwu h ALA 375 N 1.00 1.07 -0.52 -0.83 0.00 -0.94 0.14 119.26 119.19 1nwu h ALA 375 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1nwu h ALA 375 Cb 1.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1nwu h ALA 375 CO 0.10 0.48 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 1nwu h ILE 376 N 1.15 1.27 0.07 0.00 2.04 -1.08 -1.64 117.51 119.33 1nwu h ILE 376 Ca 0.31 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1nwu h ILE 376 Cb -0.13 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1nwu h ILE 376 CO -0.07 0.42 -0.04 0.50 0.00 0.00 0.00 178.15 178.97 1nwu h LYS 377 N 0.83 -0.10 -0.95 2.37 3.64 -0.65 -1.36 116.57 120.35 1nwu h LYS 377 Ca 0.14 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1nwu h LYS 377 Cb 0.63 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1nwu h LYS 377 CO 0.04 0.10 0.62 -0.44 -2.27 0.00 0.00 179.45 177.51 1nwu h ASP 378 N -0.28 1.05 -0.25 4.20 3.32 -0.71 -2.11 116.42 121.64 1nwu h ASP 378 Ca -0.01 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1nwu h ASP 378 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1nwu h ASP 378 CO 0.02 0.73 -0.20 0.00 -1.72 0.00 0.00 179.24 178.07 1nwu h ALA 379 N 1.43 0.96 -0.10 3.45 0.00 -1.14 -0.35 119.26 123.51 1nwu h ALA 379 Ca 0.37 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1nwu h ALA 379 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nwu h ALA 379 CO -0.10 0.61 -0.32 -0.07 0.00 0.00 0.00 179.25 179.36 1nwu h LEU 380 N 0.63 0.18 0.00 0.00 3.38 -0.61 -2.91 115.31 115.98 1nwu h LEU 380 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1nwu h LEU 380 Cb 0.68 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nwu h LEU 380 CO 0.05 0.50 -0.81 0.00 0.09 0.00 0.00 178.44 178.27 1nwu h ALA 381 N 1.51 0.61 -2.16 1.53 0.00 -1.15 -3.47 119.26 116.13 1nwu h ALA 381 Ca 0.02 -0.03 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 1nwu h ALA 381 Cb 0.65 0.01 0.21 0.00 0.00 0.00 0.00 17.79 18.66 1nwu h ALA 381 CO 0.05 0.04 0.03 0.00 0.00 0.00 0.00 179.25 179.37 1nwu s ALA 382 N -3.31 -0.27 0.00 0.00 0.00 -0.17 -5.10 121.76 112.91 1nwu s ALA 382 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1nwu s ALA 382 Cb 0.09 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1nwu s ALA 382 CO 0.77 -3.75 0.00 2.41 0.00 0.00 0.00 175.76 175.19