#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 4.08 -0.45 -0.72 1.02 0.76 -4.96 119.74 119.47 1nwu s LYS 23 Ca 0.00 0.60 0.02 0.00 0.02 0.00 0.00 55.97 56.61 1nwu s LYS 23 Cb 0.00 -3.19 0.13 0.00 -0.52 0.00 0.00 37.83 34.25 1nwu s LYS 23 CO 0.00 0.63 0.23 -1.17 -0.92 0.00 0.00 175.35 174.12 1nwu s LEU 24 N -1.23 3.13 -0.29 3.17 2.96 -1.26 -1.64 118.68 123.52 1nwu s LEU 24 Ca 0.29 -2.65 -0.21 0.00 -0.22 0.00 0.00 54.13 51.34 1nwu s LEU 24 Cb -0.18 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1nwu s LEU 24 CO 0.17 -0.27 0.67 -0.69 -1.32 0.00 0.00 176.35 174.91 1nwu s VAL 25 N 0.29 4.91 -0.08 1.68 1.01 -0.14 -1.51 120.40 126.57 1nwu s VAL 25 Ca 0.17 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.19 1nwu s VAL 25 Cb -0.24 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1nwu s VAL 25 CO -0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 175.10 174.74 1nwu s TYR 27 N 0.22 3.52 -0.05 0.00 2.02 -0.64 -0.34 117.35 122.08 1nwu s TYR 27 Ca -0.13 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.57 1nwu s TYR 27 Cb -0.16 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1nwu s TYR 27 CO 0.06 0.35 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.82 1nwu s TYR 28 N -1.63 1.22 -0.15 2.71 5.04 -0.04 -0.53 117.35 123.96 1nwu s TYR 28 Ca 0.42 -0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 54.58 1nwu s TYR 28 Cb -0.13 -0.92 -0.04 0.00 0.35 0.00 0.00 41.96 41.22 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 0.64 5.04 -0.52 4.34 -4.23 -1.26 -0.82 115.64 118.82 1nwu s THR 29 Ca -0.12 0.05 0.22 0.00 -1.18 0.00 0.00 61.69 60.66 1nwu s THR 29 Cb -0.14 -3.23 0.23 0.00 1.34 0.00 0.00 72.50 70.70 1nwu s THR 29 CO 0.02 0.53 1.68 -1.54 -0.54 0.00 0.00 174.62 174.77 1nwu n SER 30 N 2.81 0.59 -0.15 3.99 3.41 0.83 -2.68 113.62 122.41 1nwu n SER 30 Ca -0.18 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1nwu n SER 30 Cb 0.53 -0.77 0.20 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.16 0.00 0.32 7.33 2.14 -1.26 -3.95 117.44 119.86 1nwu n TRP 31 Ca 0.02 0.00 0.15 0.00 2.07 0.00 0.00 57.50 59.74 1nwu n TRP 31 Cb 0.21 -0.13 0.66 0.00 -0.81 0.00 0.00 31.31 31.23 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 0.74 0.00 0.11 -0.67 4.64 -1.78 -2.64 113.55 113.95 1nwu h SER 32 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 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 -0.18 0.06 -0.87 0.00 0.00 176.83 175.84 1nwu h GLN 33 N 0.00 0.15 0.00 4.77 3.07 -1.66 -2.00 115.11 119.44 1nwu h GLN 33 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1nwu h GLN 33 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1nwu h GLN 33 CO 0.00 0.34 0.00 0.66 0.09 0.00 0.00 178.83 179.92 1nwu n TYR 34 N -4.25 0.00 -2.20 0.06 4.01 -0.99 -4.43 117.16 109.36 1nwu n TYR 34 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1nwu n TYR 34 Cb 0.29 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 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 -2.58 4.42 0.77 -0.72 0.52 -1.10 -4.95 118.95 115.31 1nwu s ARG 35 Ca 0.28 2.12 -0.15 0.00 -0.52 0.00 0.00 55.73 57.46 1nwu s ARG 35 Cb 0.20 -3.10 0.05 0.00 0.52 0.00 0.00 34.95 32.61 1nwu s ARG 35 CO 0.45 -0.11 1.11 0.39 0.02 0.00 0.00 175.30 177.17 1nwu n GLU 36 N 0.99 0.38 0.00 3.54 1.02 -1.26 -2.06 120.64 123.25 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 0.42 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 0.79 2.04 0.00 0.62 0.00 -1.26 -0.75 105.19 106.63 1nwu n GLY 37 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.14 0.00 0.13 1.61 8.00 -1.26 -1.94 116.55 122.95 1nwu n ASP 38 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1nwu n ASP 38 Cb 0.00 -0.28 0.08 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.82 0.00 -4.84 0.44 0.00 -1.16 -3.45 103.07 94.87 1nwu h GLY 39 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1nwu h GLY 39 CO 0.00 0.00 1.05 -0.45 0.00 0.00 0.00 176.54 177.14 1nwu s SER 40 N -6.56 6.43 -0.09 0.19 0.15 -0.82 -4.68 113.70 108.33 1nwu s SER 40 Ca 0.02 2.77 0.01 0.00 0.70 0.00 0.00 55.95 59.44 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 1.24 2.52 0.41 0.00 0.40 -1.26 -3.09 117.98 118.20 1nwu s PHE 42 Ca -0.04 -0.27 0.22 0.00 -0.60 0.00 0.00 56.93 56.25 1nwu s PHE 42 Cb -0.14 -1.27 1.21 0.00 0.51 0.00 0.00 43.02 43.34 1nwu s PHE 42 CO -0.03 0.48 1.72 -1.35 0.70 0.00 0.00 175.22 176.74 1nwu h PRO 43 N 3.21 0.28 0.00 0.24 0.11 -1.90 0.14 132.00 134.07 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 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nwu h PRO 43 CO 0.50 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 1nwu n ASP 44 N -4.65 0.44 -0.29 -2.05 5.75 -1.26 -1.43 116.55 113.06 1nwu n ASP 44 Ca 0.29 0.64 0.15 0.00 -0.01 0.00 0.00 54.79 55.86 1nwu n ASP 44 Cb 1.06 -0.72 0.67 0.00 -1.03 0.00 0.00 41.12 41.09 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 -1.69 2.64 -2.23 2.12 0.00 0.48 -4.88 120.51 116.93 1nwu n ALA 45 Ca 0.01 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 1nwu n ALA 45 Cb 0.15 -1.29 -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 4.34 -0.45 0.00 1.43 -0.51 -4.99 118.68 116.46 1nwu s LEU 46 Ca 0.40 1.25 -0.27 0.00 -1.03 0.00 0.00 54.13 54.48 1nwu s LEU 46 Cb 0.21 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 43.03 1nwu s LEU 46 CO 0.36 0.07 1.01 -0.62 0.23 0.00 0.00 176.35 177.40 1nwu s ASP 47 N -1.68 6.60 0.58 2.29 -1.08 -1.26 -4.92 116.67 117.20 1nwu s ASP 47 Ca 0.40 0.37 0.38 0.00 -0.52 0.00 0.00 52.55 53.18 1nwu s ASP 47 Cb -0.16 -2.49 2.05 0.00 -1.46 0.00 0.00 42.92 40.86 1nwu s ASP 47 CO 0.20 -1.09 2.16 0.08 0.52 0.00 0.00 175.17 177.03 1nwu h ARG 48 N 8.99 0.00 -0.02 4.34 0.11 -1.96 -1.88 114.38 123.97 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 -2.84 0.00 0.14 4.08 3.72 -1.26 -4.62 117.46 116.67 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 0.08 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 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 3.31 -0.29 -9.96 4.37 5.85 -1.75 -3.46 115.31 113.37 1nwu h LEU 50 Ca 0.00 -0.18 -0.53 0.00 0.84 0.00 0.00 57.88 58.01 1nwu h LEU 50 Cb 0.79 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1nwu h LEU 50 CO 0.00 0.04 -0.47 0.00 -0.34 0.00 0.00 178.44 177.67 1nwu n THR 52 N -1.31 0.62 -3.78 0.00 -2.24 -0.57 -4.88 114.28 102.13 1nwu n THR 52 Ca -0.01 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 1nwu n THR 52 Cb 0.62 -0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.19 -0.08 -0.11 4.78 3.76 -1.06 -1.57 115.29 117.83 1nwu s HIS 53 Ca -0.06 0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.19 1nwu s HIS 53 Cb 0.11 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.69 1nwu s HIS 53 CO 0.85 -0.11 -0.23 0.42 -0.85 0.00 0.00 174.74 174.81 1nwu s ILE 54 N 0.87 2.06 -0.17 0.60 1.01 -0.57 -0.49 121.20 124.50 1nwu s ILE 54 Ca -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 1nwu s ILE 54 Cb -0.09 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1nwu s ILE 54 CO -0.04 0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 174.77 1nwu s ILE 55 N 0.47 3.46 -0.09 2.92 1.01 0.54 -1.53 121.20 127.98 1nwu s ILE 55 Ca -0.16 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 1nwu s ILE 55 Cb -0.17 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1nwu s ILE 55 CO 0.06 0.47 0.74 -0.47 0.00 0.00 0.00 174.94 175.74 1nwu s TYR 56 N 0.79 3.54 -0.09 3.97 6.14 0.40 -0.86 117.35 131.24 1nwu s TYR 56 Ca -0.02 1.26 0.03 0.00 0.64 0.00 0.00 57.07 58.97 1nwu s TYR 56 Cb -0.15 -2.86 0.01 0.00 0.42 0.00 0.00 41.96 39.38 1nwu s TYR 56 CO 0.02 0.00 -0.17 -1.12 0.64 0.00 0.00 175.55 174.92 1nwu s SER 57 N 0.91 2.43 0.15 4.32 0.01 0.00 -0.09 113.70 121.42 1nwu s SER 57 Ca 0.38 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1nwu s SER 57 Cb -0.18 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 1nwu s SER 57 CO 0.17 0.07 -0.04 -0.36 0.41 0.00 0.00 173.24 173.49 1nwu s PHE 58 N 0.67 1.14 0.20 2.43 0.08 -1.26 -0.12 117.98 121.12 1nwu s PHE 58 Ca -0.13 -0.92 -0.01 0.00 0.12 0.00 0.00 56.93 55.99 1nwu s PHE 58 Cb -0.16 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1nwu s PHE 58 CO 0.03 -0.12 0.39 0.00 -0.10 0.00 0.00 175.22 175.43 1nwu s ALA 59 N -3.56 3.82 0.56 5.36 0.00 0.13 -4.46 121.76 123.62 1nwu s ALA 59 Ca 0.19 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1nwu s ALA 59 Cb 0.05 -2.00 0.07 0.00 0.00 0.00 0.00 23.12 21.23 1nwu s ALA 59 CO 0.01 0.43 0.64 1.21 0.00 0.00 0.00 175.76 178.05 1nwu s ASN 60 N -3.16 4.95 -0.19 0.00 2.47 0.35 -3.35 114.94 116.01 1nwu s ASN 60 Ca 0.39 -0.98 -0.03 0.00 0.42 0.00 0.00 52.86 52.66 1nwu s ASN 60 Cb -0.11 0.30 0.06 0.00 -1.45 0.00 0.00 41.25 40.05 1nwu s ASN 60 CO 0.29 -1.23 0.03 -0.63 -3.72 0.00 0.00 177.10 171.84 1nwu s ILE 61 N -2.69 0.54 -0.07 -5.21 1.01 -1.26 -0.90 121.20 112.61 1nwu s ILE 61 Ca 0.52 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1nwu s ILE 61 Cb -0.05 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 1nwu s ILE 61 CO 0.32 -0.17 -0.21 -0.44 0.00 0.00 0.00 174.94 174.44 1nwu s SER 62 N 1.85 2.66 -1.45 3.58 0.01 0.60 -4.68 113.70 116.27 1nwu s SER 62 Ca -0.01 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 1nwu s SER 62 Cb -0.17 -0.95 0.03 0.00 0.21 0.00 0.00 66.02 65.14 1nwu s SER 62 CO -0.08 0.17 0.52 0.59 0.41 0.00 0.00 173.24 174.85 1nwu n ASN 63 N 3.29 -5.22 -0.88 2.44 3.02 -1.26 -0.35 115.26 116.30 1nwu n ASN 63 Ca -0.19 -0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 53.96 1nwu n ASN 63 Cb 0.52 -4.25 -0.05 0.00 -0.61 0.00 0.00 39.78 35.39 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 -2.40 -4.70 -4.41 6.41 8.00 -1.26 -4.96 116.55 113.22 1nwu n ASP 64 Ca -0.09 0.29 -0.31 0.00 0.71 0.00 0.00 54.79 55.39 1nwu n ASP 64 Cb 0.60 -3.22 -0.14 0.00 -0.02 0.00 0.00 41.12 38.34 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 -2.32 2.50 0.35 1.24 3.76 0.52 -1.56 115.29 119.78 1nwu s HIS 65 Ca 0.00 -0.30 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 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 0.17 1.18 -1.50 -0.85 0.00 0.00 174.74 173.74 1nwu s ILE 66 N -0.82 3.14 0.23 0.60 2.07 -1.26 -0.29 121.20 124.86 1nwu s ILE 66 Ca 0.13 1.05 -0.15 0.00 -1.41 0.00 0.00 60.65 60.26 1nwu s ILE 66 Cb -0.10 -3.63 0.01 0.00 0.13 0.00 0.00 42.46 38.87 1nwu s ILE 66 CO 0.03 0.17 0.50 -0.62 -1.91 0.00 0.00 174.94 173.12 1nwu s ASP 67 N -0.92 -0.15 0.90 4.50 2.15 -0.08 -4.83 116.67 118.24 1nwu s ASP 67 Ca 0.52 -0.74 -0.11 0.00 0.43 0.00 0.00 52.55 52.65 1nwu s ASP 67 Cb -0.33 0.59 0.13 0.00 -0.30 0.00 0.00 42.92 43.01 1nwu s ASP 67 CO 0.42 -1.11 1.09 0.42 -0.17 0.00 0.00 175.17 175.83 1nwu s THR 68 N -3.95 2.62 -0.00 1.71 -4.23 -1.26 -0.50 115.64 110.03 1nwu s THR 68 Ca 0.16 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1nwu s THR 68 Cb -0.01 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 1nwu s THR 68 CO 0.04 -0.26 -0.09 1.87 -0.54 0.00 0.00 174.62 175.64 1nwu n TRP 69 N -3.99 0.00 -2.85 3.99 -0.00 -1.26 -4.29 117.44 109.04 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 -0.17 -0.05 0.00 -0.00 0.00 0.00 31.31 31.63 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 -2.20 4.03 0.42 5.87 2.56 -1.26 -4.97 118.70 123.15 1nwu s GLU 70 Ca -0.08 0.84 0.10 0.00 0.00 0.00 0.00 54.97 55.83 1nwu s GLU 70 Cb 0.02 -2.29 0.93 0.00 2.00 0.00 0.00 34.13 34.79 1nwu s GLU 70 CO 0.11 -0.01 2.01 0.11 -0.56 0.00 0.00 175.26 176.92 1nwu h TRP 71 N 1.74 0.50 -0.40 5.30 5.08 -2.00 -2.69 115.95 123.48 1nwu h TRP 71 Ca -0.48 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 1nwu h TRP 71 Cb 1.18 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.16 1nwu h TRP 71 CO 0.62 0.28 0.02 0.27 -1.28 0.00 0.00 178.44 178.34 1nwu n ASN 72 N -4.47 4.52 -0.19 0.11 6.94 -1.26 -4.72 115.26 116.18 1nwu n ASN 72 Ca 0.07 -3.04 -0.00 0.00 -0.02 0.00 0.00 54.58 51.59 1nwu n ASN 72 Cb 0.23 -0.61 0.10 0.00 -2.36 0.00 0.00 39.78 37.14 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 2.55 0.15 -0.76 0.53 3.32 -1.87 -1.38 116.42 118.96 1nwu h ASP 73 Ca 0.03 0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.32 1nwu h ASP 73 Cb 1.70 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 41.22 1nwu h ASP 73 CO 0.35 0.10 0.25 0.58 -1.72 0.00 0.00 179.24 178.80 1nwu h VAL 74 N 0.35 0.57 -0.01 -1.35 2.07 -1.85 1.03 116.25 117.06 1nwu h VAL 74 Ca 0.29 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1nwu h VAL 74 Cb 0.38 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1nwu h VAL 74 CO -0.32 0.06 0.00 0.74 0.02 0.00 0.00 177.57 178.08 1nwu h THR 75 N 0.35 1.19 -0.31 2.57 2.02 -1.66 -2.40 112.91 114.67 1nwu h THR 75 Ca 0.43 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1nwu h THR 75 Cb 0.72 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1nwu h THR 75 CO -0.47 0.15 0.01 -0.07 0.37 0.00 0.00 175.52 175.51 1nwu h LEU 76 N -0.23 0.44 -0.25 2.58 3.38 -0.21 -0.35 115.31 120.67 1nwu h LEU 76 Ca 0.00 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1nwu h LEU 76 Cb 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1nwu h LEU 76 CO 0.00 0.51 0.07 1.88 0.09 0.00 0.00 178.44 180.98 1nwu h TYR 77 N 0.46 0.12 -0.78 1.13 0.05 0.12 0.47 116.97 118.54 1nwu h TYR 77 Ca 0.10 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 1nwu h TYR 77 Cb 0.29 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1nwu h TYR 77 CO 0.01 0.05 0.30 0.78 -1.05 0.00 0.00 178.16 178.24 1nwu h GLY 78 N 0.17 1.27 1.04 3.88 0.00 -0.87 0.42 103.07 108.98 1nwu h GLY 78 Ca 0.11 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1nwu h GLY 78 CO -0.13 0.66 0.64 1.98 0.00 0.00 0.00 176.54 179.70 1nwu h MET 79 N 1.14 1.29 -0.01 4.80 -1.53 -0.37 0.09 114.93 120.36 1nwu h MET 79 Ca 0.26 -0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 1nwu h MET 79 Cb 0.24 -0.29 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 1nwu h MET 79 CO -0.02 0.86 -0.02 1.25 0.14 0.00 0.00 176.91 179.12 1nwu h LEU 80 N 1.33 0.04 -2.02 3.39 5.85 -0.43 -3.25 115.31 120.22 1nwu h LEU 80 Ca 0.36 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1nwu h LEU 80 Cb -0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1nwu h LEU 80 CO -0.08 0.62 0.00 0.78 -0.34 0.00 0.00 178.44 179.42 1nwu h ASN 81 N -0.55 0.00 0.15 1.25 2.35 -0.74 -2.10 115.58 115.95 1nwu h ASN 81 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1nwu h ASN 81 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1nwu h ASN 81 CO 0.00 0.00 -0.16 0.74 -1.65 0.00 0.00 177.43 176.36 1nwu h THR 82 N 0.00 1.13 -0.08 2.81 2.02 -1.01 -2.01 112.91 115.77 1nwu h THR 82 Ca 0.00 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.60 1nwu h THR 82 Cb 0.30 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1nwu h THR 82 CO 0.00 0.17 0.13 -0.07 0.37 0.00 0.00 175.52 176.13 1nwu h LEU 83 N 0.03 0.00 -0.33 2.58 3.38 -1.50 -0.91 115.31 118.56 1nwu h LEU 83 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nwu h LEU 83 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1nwu h LEU 83 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1nwu n LYS 84 N -3.55 0.18 -0.21 1.13 5.02 -0.75 -3.55 118.16 116.43 1nwu n LYS 84 Ca -0.01 0.30 -0.07 0.00 -2.02 0.00 0.00 58.31 56.51 1nwu n LYS 84 Cb 0.23 -1.78 0.03 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.79 0.04 4.39 2.35 -1.34 -2.83 115.58 119.00 1nwu h ASN 85 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1nwu h ASN 85 Cb 0.49 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1nwu h ASN 85 CO 0.00 0.72 -0.26 0.54 -1.65 0.00 0.00 177.43 176.77 1nwu n ARG 86 N -4.51 1.41 -3.32 0.81 1.74 -1.24 -4.55 116.66 107.00 1nwu n ARG 86 Ca 0.04 -1.06 -0.26 0.00 -0.77 0.00 0.00 57.85 55.79 1nwu n ARG 86 Cb 0.13 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.13 -0.18 0.06 0.55 2.85 -1.09 -5.00 115.26 112.59 1nwu n ASN 87 Ca 0.12 -2.51 0.21 0.00 -0.11 0.00 0.00 54.58 52.30 1nwu n ASN 87 Cb 0.45 -0.59 0.71 0.00 1.24 0.00 0.00 39.78 41.60 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 4.99 0.00 0.00 1.20 0.11 -1.74 -1.30 132.00 135.26 1nwu h PRO 88 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1nwu h PRO 88 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 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 -2.75 -2.05 4.21 -1.94 -3.46 115.58 109.59 1nwu h ASN 89 Ca 0.23 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.21 1nwu h ASN 89 Cb 1.29 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.53 1nwu h ASN 89 CO -0.00 0.00 0.94 -0.22 -1.29 0.00 0.00 177.43 176.86 1nwu s LEU 90 N -5.51 4.37 0.09 1.61 2.96 -0.49 -4.96 118.68 116.75 1nwu s LEU 90 Ca 0.08 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.59 1nwu s LEU 90 Cb 0.08 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1nwu s LEU 90 CO 0.64 -0.86 0.08 -0.54 -1.32 0.00 0.00 176.35 174.35 1nwu s LYS 91 N 1.85 2.88 0.03 1.98 3.01 -0.61 -4.91 119.74 123.98 1nwu s LYS 91 Ca 0.72 -0.71 0.04 0.00 -1.01 0.00 0.00 55.97 55.02 1nwu s LYS 91 Cb -0.42 -2.72 -0.02 0.00 -1.01 0.00 0.00 37.83 33.66 1nwu s LYS 91 CO 0.32 0.56 -0.13 0.99 0.51 0.00 0.00 175.35 177.59 1nwu s THR 92 N -1.42 1.06 0.07 2.17 2.01 -1.26 -1.52 115.64 116.75 1nwu s THR 92 Ca 0.29 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1nwu s THR 92 Cb -0.12 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1nwu s THR 92 CO 0.22 0.07 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.40 1nwu s LEU 93 N -0.92 2.43 -0.18 4.42 1.02 -0.58 -0.10 118.68 124.77 1nwu s LEU 93 Ca 0.02 -0.87 -0.02 0.00 0.02 0.00 0.00 54.13 53.28 1nwu s LEU 93 Cb -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 46.19 46.13 1nwu s LEU 93 CO 0.01 -0.44 -0.08 -0.22 0.02 0.00 0.00 176.35 175.64 1nwu s LEU 94 N -2.59 2.80 -0.11 1.79 2.96 -0.76 -0.45 118.68 122.33 1nwu s LEU 94 Ca 0.04 -0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 53.43 1nwu s LEU 94 Cb 0.02 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1nwu s LEU 94 CO -0.05 0.06 0.36 -0.55 -1.32 0.00 0.00 176.35 174.85 1nwu s SER 95 N 1.00 6.59 -0.14 3.68 0.15 0.87 -1.07 113.70 124.78 1nwu s SER 95 Ca -0.01 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.33 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 -0.01 0.15 -0.12 0.54 1.20 0.00 0.00 173.24 175.01 1nwu s VAL 96 N 0.02 3.16 0.00 4.45 0.11 0.03 0.21 120.40 128.39 1nwu s VAL 96 Ca 0.20 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1nwu s VAL 96 Cb -0.14 -2.34 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1nwu s VAL 96 CO 0.08 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1nwu n GLY 97 N 3.61 0.20 0.00 6.54 0.00 -1.21 -0.93 105.19 113.39 1nwu n GLY 97 Ca -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 1.45 0.37 -0.02 0.00 0.08 -4.32 105.19 102.75 1nwu n GLY 98 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 0.99 -0.25 1.61 2.91 -1.90 -1.31 115.95 118.01 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 -0.01 0.00 -0.51 0.00 0.00 29.16 28.34 1nwu h TRP 99 CO 0.00 0.29 0.01 0.09 -1.03 0.00 0.00 178.44 177.80 1nwu n ASN 100 N -4.67 2.98 -0.05 2.65 3.02 -1.26 -4.12 115.26 113.81 1nwu n ASN 100 Ca 0.21 -2.40 -0.21 0.00 -0.03 0.00 0.00 54.58 52.15 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 1.58 0.20 0.00 3.10 3.57 -1.42 -3.51 116.94 120.47 1nwu h PHE 101 Ca 0.01 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1nwu h PHE 101 Cb 1.15 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1nwu h PHE 101 CO 0.47 1.54 0.00 0.41 -2.23 0.00 0.00 178.31 178.50 1nwu n GLY 102 N 1.63 0.35 0.53 2.40 0.00 -1.26 -4.78 105.19 104.06 1nwu n GLY 102 Ca -0.29 -0.79 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 0.08 1.61 4.64 -1.89 -0.76 113.55 117.33 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 -0.23 1.56 -0.87 0.00 0.00 176.83 177.29 1nwu h GLN 104 N 0.07 -0.39 -0.30 4.77 1.08 -1.93 0.13 115.11 118.55 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 2.37 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.87 1nwu h GLN 104 CO -0.09 -0.26 0.20 0.00 -0.95 0.00 0.00 178.83 177.73 1nwu h ARG 105 N -0.40 0.40 -1.00 1.46 3.08 -1.44 -2.23 114.38 114.25 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 0.44 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1nwu h ARG 105 CO -0.15 0.27 0.65 0.35 -1.07 0.00 0.00 179.97 180.02 1nwu h PHE 106 N 0.41 1.21 0.12 3.04 3.04 -1.37 -2.68 116.94 120.71 1nwu h PHE 106 Ca 0.11 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1nwu h PHE 106 Cb -0.04 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.07 1nwu h PHE 106 CO -0.05 0.66 -0.06 1.03 -2.02 0.00 0.00 178.31 177.87 1nwu h SER 107 N 1.21 -0.13 -0.94 0.41 0.87 -0.21 -1.50 113.55 113.25 1nwu h SER 107 Ca 0.41 -0.04 0.13 0.00 -1.23 0.00 0.00 61.79 61.06 1nwu h SER 107 Cb 0.10 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 1nwu h SER 107 CO -0.15 -0.04 0.60 0.11 -0.53 0.00 0.00 176.83 176.82 1nwu h LYS 108 N -0.21 0.83 -0.14 2.24 1.57 -1.10 0.15 116.57 119.91 1nwu h LYS 108 Ca -0.02 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1nwu h LYS 108 Cb 0.17 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1nwu h LYS 108 CO 0.03 0.55 -0.33 0.82 -0.57 0.00 0.00 179.45 179.95 1nwu h ILE 109 N 0.86 1.36 0.00 1.86 2.04 -1.28 -2.72 117.51 119.64 1nwu h ILE 109 Ca 0.47 -1.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.60 1nwu h ILE 109 Cb 0.57 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1nwu h ILE 109 CO -0.23 0.48 -0.58 0.00 0.00 0.00 0.00 178.15 177.82 1nwu h ALA 110 N 0.54 0.84 0.09 1.87 0.00 -0.73 -2.53 119.26 119.35 1nwu h ALA 110 Ca -0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 54.91 54.12 1nwu h ALA 110 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1nwu h ALA 110 CO 0.07 0.73 -1.21 0.66 0.00 0.00 0.00 179.25 179.50 1nwu h SER 111 N 0.00 0.31 -3.20 0.00 4.64 -0.78 -3.44 113.55 111.07 1nwu h SER 111 Ca -0.01 -0.34 -0.57 0.00 -0.47 0.00 0.00 61.79 60.40 1nwu h SER 111 Cb 1.18 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 1nwu h SER 111 CO 0.08 1.27 0.84 0.21 -0.87 0.00 0.00 176.83 178.35 1nwu s ASN 112 N -7.01 6.98 0.32 4.97 3.84 -1.03 -4.94 114.94 118.08 1nwu s ASN 112 Ca -0.03 1.20 0.05 0.00 0.21 0.00 0.00 52.86 54.29 1nwu s ASN 112 Cb 0.08 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.94 1nwu s ASN 112 CO 0.87 -0.81 1.85 0.74 -2.79 0.00 0.00 177.10 176.96 1nwu h THR 113 N 5.63 0.87 -0.04 -5.21 2.02 -1.85 -0.28 112.91 114.05 1nwu h THR 113 Ca -0.20 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1nwu h THR 113 Cb 1.06 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1nwu h THR 113 CO 1.01 0.15 -0.20 1.56 0.37 0.00 0.00 175.52 178.41 1nwu h GLN 114 N 0.83 0.20 -0.85 6.66 7.50 -1.92 -2.96 115.11 124.57 1nwu h GLN 114 Ca 0.47 -0.17 -0.00 0.00 0.50 0.00 0.00 58.65 59.45 1nwu h GLN 114 Cb 0.62 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.15 1nwu h GLN 114 CO -0.24 0.83 0.52 0.77 -1.50 0.00 0.00 178.83 179.21 1nwu h SER 115 N -0.37 1.02 -0.67 1.46 0.02 -1.73 -1.63 113.55 111.65 1nwu h SER 115 Ca -0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1nwu h SER 115 Cb 0.87 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1nwu h SER 115 CO 0.04 0.78 0.37 -0.09 -1.14 0.00 0.00 176.83 176.79 1nwu h ARG 116 N 1.18 0.94 -0.04 3.45 2.43 -0.59 -0.96 114.38 120.78 1nwu h ARG 116 Ca 0.31 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1nwu h ARG 116 Cb -0.06 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1nwu h ARG 116 CO -0.06 0.71 0.01 -0.09 -1.51 0.00 0.00 179.97 179.03 1nwu h ARG 117 N 0.92 0.07 -0.36 0.20 9.65 -1.27 -0.79 114.38 122.80 1nwu h ARG 117 Ca 0.24 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1nwu h ARG 117 Cb 0.04 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 1nwu h ARG 117 CO -0.04 0.25 0.04 1.15 2.80 0.00 0.00 179.97 184.17 1nwu h THR 118 N -0.13 0.78 0.39 0.20 2.02 -1.13 0.60 112.91 115.64 1nwu h THR 118 Ca 0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1nwu h THR 118 Cb 0.21 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1nwu h THR 118 CO -0.00 0.03 -0.21 0.15 0.37 0.00 0.00 175.52 175.86 1nwu h PHE 119 N 0.15 -0.54 -0.52 3.16 3.57 -0.13 -1.46 116.94 121.17 1nwu h PHE 119 Ca 0.17 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1nwu h PHE 119 Cb 0.22 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1nwu h PHE 119 CO -0.21 -0.33 0.24 0.82 -2.23 0.00 0.00 178.31 176.60 1nwu h ILE 120 N -0.55 0.91 -0.51 1.41 2.04 -0.85 -2.16 117.51 117.79 1nwu h ILE 120 Ca -0.05 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1nwu h ILE 120 Cb 0.44 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1nwu h ILE 120 CO 0.07 0.08 0.19 0.50 0.00 0.00 0.00 178.15 178.99 1nwu h LYS 121 N 0.46 0.74 0.00 2.37 3.64 -0.76 -2.62 116.57 120.40 1nwu h LYS 121 Ca 0.24 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nwu h LYS 121 Cb 0.19 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1nwu h LYS 121 CO -0.19 0.62 0.00 0.66 -2.27 0.00 0.00 179.45 178.27 1nwu h SER 122 N 0.73 0.00 0.43 4.20 4.64 -0.62 -3.37 113.55 119.56 1nwu h SER 122 Ca 0.17 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1nwu h SER 122 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 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 0.39 -0.45 0.95 2.07 -1.15 -3.06 116.25 115.00 1nwu h VAL 123 Ca 0.00 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1nwu h VAL 123 Cb 0.57 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 1nwu h VAL 123 CO 0.00 0.07 -0.11 -0.65 0.02 0.00 0.00 177.57 176.91 1nwu h PRO 124 N -0.98 0.01 -0.56 1.57 0.11 -1.73 -0.79 132.00 129.62 1nwu h PRO 124 Ca -0.06 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.10 1nwu h PRO 124 Cb 0.56 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 1nwu h PRO 124 CO 0.10 0.00 0.29 -1.35 -0.21 0.00 0.00 178.00 176.83 1nwu h PRO 125 N 0.01 0.53 -0.53 1.05 0.11 -1.77 -1.13 132.00 130.26 1nwu h PRO 125 Ca 0.22 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1nwu h PRO 125 Cb 0.33 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1nwu h PRO 125 CO -0.46 0.35 0.33 0.35 -0.21 0.00 0.00 178.00 178.36 1nwu h PHE 126 N 0.55 0.69 -0.36 0.65 3.57 -1.26 0.52 116.94 121.30 1nwu h PHE 126 Ca 0.25 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 1nwu h PHE 126 Cb 0.16 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1nwu h PHE 126 CO -0.10 0.47 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.26 1nwu h LEU 127 N 0.72 0.72 -0.59 0.59 3.38 -0.85 -2.30 115.31 116.98 1nwu h LEU 127 Ca 0.19 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1nwu h LEU 127 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1nwu h LEU 127 CO -0.04 0.94 0.02 0.03 0.09 0.00 0.00 178.44 179.48 1nwu h ARG 128 N 0.50 1.03 -0.25 1.13 2.47 -1.10 0.91 114.38 119.08 1nwu h ARG 128 Ca 0.09 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 1nwu h ARG 128 Cb 0.64 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1nwu h ARG 128 CO 0.04 1.01 0.05 1.15 0.56 0.00 0.00 179.97 182.78 1nwu h THR 129 N 0.93 1.13 -0.47 2.04 2.02 -0.81 -2.95 112.91 114.80 1nwu h THR 129 Ca 0.17 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1nwu h THR 129 Cb 0.53 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1nwu h THR 129 CO 0.03 0.16 0.00 1.41 0.37 0.00 0.00 175.52 177.49 1nwu n HIS 130 N -4.38 0.67 -1.50 3.16 8.25 -0.87 -5.00 115.22 115.56 1nwu n HIS 130 Ca 0.01 -0.52 -0.02 0.00 -0.26 0.00 0.00 57.72 56.93 1nwu n HIS 130 Cb 0.17 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 0.85 0.43 3.88 -1.41 0.00 -0.53 -4.72 105.19 103.69 1nwu n GLY 131 Ca 0.16 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.10 3.47 -1.85 1.61 0.08 0.20 -4.91 117.98 114.48 1nwu s PHE 132 Ca 0.00 0.80 0.25 0.00 0.12 0.00 0.00 56.93 58.10 1nwu s PHE 132 Cb 0.00 -2.20 0.50 0.00 -0.57 0.00 0.00 43.02 40.75 1nwu s PHE 132 CO 0.00 0.35 1.41 -0.25 -0.10 0.00 0.00 175.22 176.63 1nwu n ASP 133 N 0.12 1.36 0.00 1.36 8.00 0.86 -4.49 116.55 123.76 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 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 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 -1.41 3.30 0.44 0.00 -1.09 -0.61 105.19 107.19 1nwu n GLY 134 Ca 0.11 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 2.05 -0.19 0.99 2.96 0.62 -1.83 118.68 123.28 1nwu s LEU 135 Ca 0.00 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1nwu s LEU 135 Cb 0.00 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.38 1nwu s LEU 135 CO 0.00 0.31 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.60 1nwu s ASP 136 N -0.62 3.71 -0.26 3.68 2.15 -0.23 -1.19 116.67 123.92 1nwu s ASP 136 Ca 0.10 -0.51 -0.21 0.00 0.43 0.00 0.00 52.55 52.36 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 0.01 0.65 -0.76 -0.17 0.00 0.00 175.17 174.89 1nwu s LEU 137 N 1.28 4.07 -0.59 -1.34 1.43 -0.27 -0.79 118.68 122.47 1nwu s LEU 137 Ca 0.03 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 53.91 1nwu s LEU 137 Cb -0.14 -2.89 0.28 0.00 0.03 0.00 0.00 46.19 43.47 1nwu s LEU 137 CO -0.07 -0.40 0.78 0.00 0.23 0.00 0.00 176.35 176.90 1nwu n ALA 138 N 5.76 4.01 -2.74 4.21 0.00 -0.10 -1.33 120.51 130.32 1nwu n ALA 138 Ca 0.00 -4.58 -0.43 0.00 0.00 0.00 0.00 53.44 48.43 1nwu n ALA 138 Cb 0.49 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.65 2.80 -0.60 0.00 -0.11 -1.26 -0.75 118.94 116.37 1nwu s TRP 139 Ca 0.42 -0.28 -0.04 0.00 1.22 0.00 0.00 56.10 57.42 1nwu s TRP 139 Cb 0.20 -4.05 0.16 0.00 -1.50 0.00 0.00 33.47 28.27 1nwu s TRP 139 CO -0.06 -1.39 0.42 -0.51 -4.62 0.00 0.00 176.95 170.79 1nwu s LEU 140 N 3.75 5.35 0.12 5.86 1.43 -1.26 -3.84 118.68 130.08 1nwu s LEU 140 Ca 0.25 -2.70 -0.07 0.00 -1.03 0.00 0.00 54.13 50.58 1nwu s LEU 140 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1nwu s LEU 140 CO 0.15 -0.42 0.19 -0.31 0.23 0.00 0.00 176.35 176.20 1nwu s TYR 141 N 0.17 0.36 0.83 0.29 1.51 -1.26 -4.25 117.35 115.01 1nwu s TYR 141 Ca 0.15 -0.77 -0.13 0.00 -1.01 0.00 0.00 57.07 55.32 1nwu s TYR 141 Cb -0.20 -0.13 0.10 0.00 -0.11 0.00 0.00 41.96 41.61 1nwu s TYR 141 CO -0.04 -0.60 1.18 -2.30 -1.11 0.00 0.00 175.55 172.68 1nwu n PRO 142 N -0.11 0.04 -2.19 -1.71 -0.02 -1.25 -4.86 135.00 124.90 1nwu n PRO 142 Ca -0.11 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 1nwu n PRO 142 Cb 0.63 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.51 1.75 0.23 -1.23 0.00 -1.26 -4.56 105.19 100.63 1nwu n GLY 143 Ca 0.13 -2.16 0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 0.01 0.00 1.61 3.08 -1.94 -1.39 114.38 115.76 1nwu h ARG 144 Ca -0.18 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1nwu h ARG 144 Cb 0.79 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1nwu h ARG 144 CO 0.24 0.19 0.00 0.07 -1.07 0.00 0.00 179.97 179.40 1nwu h ARG 145 N 0.01 0.00 -0.15 0.04 -0.00 -1.92 -3.26 114.38 109.10 1nwu h ARG 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1nwu h ARG 145 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1nwu h ARG 145 CO 0.02 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.74 1nwu n ASP 146 N -2.85 2.47 -0.15 0.08 8.00 -0.56 -4.69 116.55 118.85 1nwu n ASP 146 Ca 0.03 -1.71 -0.05 0.00 0.71 0.00 0.00 54.79 53.77 1nwu n ASP 146 Cb 0.40 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 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 2.64 -0.13 -0.45 -1.24 3.64 -1.50 0.20 116.57 119.73 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 0.64 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1nwu h LYS 147 CO 0.00 -0.09 -0.27 1.96 -2.27 0.00 0.00 179.45 178.78 1nwu h GLN 148 N -0.14 0.97 -0.86 1.90 7.50 -1.86 -2.72 115.11 119.90 1nwu h GLN 148 Ca 0.22 -0.44 0.02 0.00 0.50 0.00 0.00 58.65 58.95 1nwu h GLN 148 Cb 0.48 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.95 1nwu h GLN 148 CO -0.56 1.11 0.56 0.45 -1.50 0.00 0.00 178.83 178.89 1nwu h HIS 149 N 0.82 1.06 -0.46 2.96 3.86 -1.61 0.03 115.15 121.80 1nwu h HIS 149 Ca 0.09 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1nwu h HIS 149 Cb 0.86 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1nwu h HIS 149 CO 0.06 0.63 0.27 0.35 0.86 0.00 0.00 177.93 180.10 1nwu h PHE 150 N 1.12 0.50 -0.40 2.45 3.57 -0.49 0.18 116.94 123.87 1nwu h PHE 150 Ca 0.33 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1nwu h PHE 150 Cb -0.05 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1nwu h PHE 150 CO -0.02 0.29 0.26 1.15 -2.23 0.00 0.00 178.31 177.76 1nwu h THR 151 N 0.54 1.09 -0.32 4.41 2.02 -1.01 -1.55 112.91 118.08 1nwu h THR 151 Ca 0.19 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1nwu h THR 151 Cb 0.02 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1nwu h THR 151 CO -0.09 0.10 0.15 0.74 0.37 0.00 0.00 175.52 176.79 1nwu h THR 152 N 0.52 1.16 -0.19 3.16 2.02 -0.47 0.05 112.91 119.17 1nwu h THR 152 Ca 0.15 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1nwu h THR 152 Cb -0.04 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1nwu h THR 152 CO -0.04 0.17 -0.11 0.25 0.37 0.00 0.00 175.52 176.15 1nwu h LEU 153 N 0.38 -0.37 -0.58 2.58 5.85 -0.40 0.90 115.31 123.66 1nwu h LEU 153 Ca 0.11 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1nwu h LEU 153 Cb 0.13 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1nwu h LEU 153 CO -0.01 -0.15 0.23 0.40 -0.34 0.00 0.00 178.44 178.57 1nwu h ILE 154 N -0.11 1.23 -0.14 4.05 2.04 -1.14 -0.24 117.51 123.20 1nwu h ILE 154 Ca 0.11 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1nwu h ILE 154 Cb 0.27 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1nwu h ILE 154 CO -0.25 0.28 0.08 0.50 0.00 0.00 0.00 178.15 178.75 1nwu h LYS 155 N 0.81 0.20 -0.05 2.37 3.64 -0.50 -2.28 116.57 120.75 1nwu h LYS 155 Ca 0.19 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 1nwu h LYS 155 Cb 0.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1nwu h LYS 155 CO -0.02 0.21 -0.68 0.93 -2.27 0.00 0.00 179.45 177.62 1nwu h GLU 156 N 0.14 0.24 -0.52 1.90 5.08 -0.75 -2.45 114.58 118.22 1nwu h GLU 156 Ca 0.05 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1nwu h GLU 156 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nwu h GLU 156 CO -0.01 0.82 0.12 1.98 -1.00 0.00 0.00 179.01 180.92 1nwu h MET 157 N 0.16 0.83 -0.58 2.33 4.05 -0.98 -1.42 114.93 119.32 1nwu h MET 157 Ca -0.02 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 1nwu h MET 157 Cb 1.22 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1nwu h MET 157 CO 0.10 0.80 0.15 -0.22 0.23 0.00 0.00 176.91 177.98 1nwu h LYS 158 N 0.72 0.89 0.03 0.39 1.63 -1.37 -1.33 116.57 117.53 1nwu h LYS 158 Ca 0.16 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1nwu h LYS 158 Cb 0.35 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1nwu h LYS 158 CO 0.00 0.79 -0.03 0.00 -3.45 0.00 0.00 179.45 176.77 1nwu h ALA 159 N 1.30 -0.05 -0.55 5.00 0.00 -0.93 -0.86 119.26 123.17 1nwu h ALA 159 Ca 0.19 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1nwu h ALA 159 Cb 0.30 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1nwu h ALA 159 CO -0.00 -0.54 0.28 1.49 0.00 0.00 0.00 179.25 180.48 1nwu h GLU 160 N -0.07 0.51 -0.85 0.00 4.57 -0.92 -0.50 114.58 117.32 1nwu h GLU 160 Ca 0.00 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1nwu h GLU 160 Cb 0.07 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1nwu h GLU 160 CO -0.02 0.34 0.56 0.74 -1.18 0.00 0.00 179.01 179.46 1nwu h PHE 161 N 0.53 1.08 -0.50 0.92 -1.00 -0.85 0.14 116.94 117.26 1nwu h PHE 161 Ca 0.25 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 61.01 1nwu h PHE 161 Cb 0.16 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 1nwu h PHE 161 CO -0.10 0.68 0.15 0.82 -1.61 0.00 0.00 178.31 178.25 1nwu h ILE 162 N 1.16 1.23 0.26 -0.55 2.04 -0.50 -2.64 117.51 118.50 1nwu h ILE 162 Ca 0.31 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1nwu h ILE 162 Cb -0.13 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1nwu h ILE 162 CO -0.07 0.28 -0.13 0.50 0.00 0.00 0.00 178.15 178.74 1nwu h LYS 163 N 0.67 -0.34 -0.43 2.37 3.64 -0.58 -0.34 116.57 121.55 1nwu h LYS 163 Ca 0.16 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.69 1nwu h LYS 163 Cb 0.28 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1nwu h LYS 163 CO -0.00 -0.18 0.38 1.49 -2.27 0.00 0.00 179.45 178.87 1nwu h GLU 164 N -0.42 0.00 -0.01 1.90 4.22 -0.66 -0.33 114.58 119.27 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 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 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 -2.46 3.08 -0.31 2.92 0.00 -1.01 -4.63 120.51 118.11 1nwu n ALA 165 Ca 0.07 -0.58 0.16 0.00 0.00 0.00 0.00 53.44 53.09 1nwu n ALA 165 Cb 0.57 -0.62 0.34 0.00 0.00 0.00 0.00 19.45 19.74 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 2.35 0.15 -0.23 0.00 -0.00 0.74 0.16 115.11 118.27 1nwu h GLN 166 Ca 0.00 -0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.71 1nwu h GLN 166 Cb 0.64 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.08 1nwu h GLN 166 CO 0.00 0.10 0.18 -1.00 -0.00 0.00 0.00 178.83 178.11 1nwu h PRO 167 N 0.15 0.00 0.00 0.06 0.13 -1.82 -3.44 132.00 127.08 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 -0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.46 1nwu n GLY 168 N -1.53 -0.30 3.90 1.56 0.00 0.49 -5.16 105.19 104.15 1nwu n GLY 168 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.89 -0.57 1.61 1.02 -0.84 -4.97 119.74 117.87 1nwu s LYS 169 Ca 0.00 0.09 -0.27 0.00 0.02 0.00 0.00 55.97 55.80 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 -1.64 1.14 0.21 -0.92 0.00 0.00 175.35 174.13 1nwu s LYS 170 N -5.59 3.48 0.22 1.68 2.20 -1.26 -4.89 119.74 115.58 1nwu s LYS 170 Ca 0.63 0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 56.07 1nwu s LYS 170 Cb -0.11 -4.02 -0.15 0.00 -1.51 0.00 0.00 37.83 32.04 1nwu s LYS 170 CO 0.49 -1.63 1.11 0.94 -0.36 0.00 0.00 175.35 175.90 1nwu n GLN 171 N 8.22 1.28 -2.13 4.03 7.27 -1.26 -4.92 117.38 129.87 1nwu n GLN 171 Ca 0.07 0.45 -0.38 0.00 0.07 0.00 0.00 57.00 57.22 1nwu n GLN 171 Cb 0.49 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.23 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 0.59 4.03 0.25 1.69 1.43 -1.26 -4.98 118.68 120.42 1nwu s LEU 172 Ca 0.67 2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 56.11 1nwu s LEU 172 Cb -0.78 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.19 1nwu s LEU 172 CO 0.55 -1.02 0.62 -0.76 0.23 0.00 0.00 176.35 175.97 1nwu s LEU 173 N -2.98 4.17 -0.11 1.79 1.43 0.22 -4.93 118.68 118.27 1nwu s LEU 173 Ca 0.63 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.82 1nwu s LEU 173 Cb -0.33 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.17 1nwu s LEU 173 CO 0.40 -0.08 -0.06 -0.22 0.23 0.00 0.00 176.35 176.61 1nwu s LEU 174 N -2.69 1.09 0.39 1.79 2.96 -1.26 -0.28 118.68 120.68 1nwu s LEU 174 Ca 0.48 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1nwu s LEU 174 Cb -0.12 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1nwu s LEU 174 CO 0.20 -0.13 0.10 -0.94 -1.32 0.00 0.00 176.35 174.26 1nwu s SER 175 N 1.75 2.71 -0.17 3.68 1.04 -0.33 -0.06 113.70 122.33 1nwu s SER 175 Ca 0.05 -1.59 -0.13 0.00 0.48 0.00 0.00 55.95 54.75 1nwu s SER 175 Cb -0.13 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1nwu s SER 175 CO -0.08 -0.84 0.43 0.00 0.98 0.00 0.00 173.24 173.73 1nwu s ALA 176 N -3.23 -1.07 -0.33 5.32 0.00 -1.15 -1.12 121.76 120.18 1nwu s ALA 176 Ca 0.26 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 1nwu s ALA 176 Cb 0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1nwu s ALA 176 CO 0.14 -0.22 0.40 0.00 0.00 0.00 0.00 175.76 176.07 1nwu s ALA 177 N 0.57 3.51 0.11 0.00 0.00 -0.45 -0.85 121.76 124.66 1nwu s ALA 177 Ca -0.03 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.91 1nwu s ALA 177 Cb -0.05 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1nwu s ALA 177 CO -0.03 -1.02 -0.06 -0.51 0.00 0.00 0.00 175.76 174.13 1nwu s LEU 178 N 2.11 3.18 0.58 0.00 1.43 0.64 -4.60 118.68 122.02 1nwu s LEU 178 Ca 0.14 -0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 1nwu s LEU 178 Cb -0.16 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1nwu s LEU 178 CO 0.12 0.17 1.26 -0.55 0.23 0.00 0.00 176.35 177.57 1nwu s SER 179 N -2.33 5.20 0.00 2.29 0.15 -1.26 -0.79 113.70 116.96 1nwu s SER 179 Ca 0.23 2.53 0.23 0.00 0.70 0.00 0.00 55.95 59.64 1nwu s SER 179 Cb -0.11 -2.61 0.25 0.00 -1.71 0.00 0.00 66.02 61.84 1nwu s SER 179 CO 0.16 -1.59 1.27 0.00 1.20 0.00 0.00 173.24 174.27 1nwu n ALA 180 N -1.38 2.45 -2.69 5.45 0.00 -1.25 -4.64 120.51 118.45 1nwu n ALA 180 Ca 0.12 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1nwu n ALA 180 Cb 0.48 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.75 2.42 0.22 0.00 0.00 -1.26 -4.72 107.32 102.23 1nwu s GLY 181 Ca 0.30 0.26 -0.08 0.00 0.00 0.00 0.00 44.72 45.19 1nwu s GLY 181 CO 0.29 1.68 1.72 1.70 0.00 0.00 0.00 173.10 178.49 1nwu h LYS 182 N 7.06 0.33 -0.08 2.90 3.64 -1.92 0.59 116.57 129.08 1nwu h LYS 182 Ca -0.34 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1nwu h LYS 182 Cb 1.16 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1nwu h LYS 182 CO 0.81 0.22 -0.02 0.28 -2.27 0.00 0.00 179.45 178.47 1nwu h VAL 183 N 0.34 0.91 -0.53 2.00 2.07 -1.99 0.03 116.25 119.07 1nwu h VAL 183 Ca 0.34 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 1nwu h VAL 183 Cb 0.49 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1nwu h VAL 183 CO -0.38 0.00 0.21 0.74 0.02 0.00 0.00 177.57 178.16 1nwu h THR 184 N -0.01 1.22 -0.42 2.57 2.02 -1.84 -2.17 112.91 114.28 1nwu h THR 184 Ca 0.04 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1nwu h THR 184 Cb 0.07 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1nwu h THR 184 CO -0.09 0.26 0.25 0.40 0.37 0.00 0.00 175.52 176.71 1nwu h ILE 185 N 0.73 1.05 -0.43 3.11 2.04 -0.59 0.25 117.51 123.66 1nwu h ILE 185 Ca 0.18 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1nwu h ILE 185 Cb 0.21 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1nwu h ILE 185 CO -0.01 0.09 -0.02 0.44 0.00 0.00 0.00 178.15 178.65 1nwu h ASP 186 N 0.50 0.68 0.66 1.72 3.32 -0.81 -2.60 116.42 119.89 1nwu h ASP 186 Ca 0.17 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1nwu h ASP 186 Cb 0.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1nwu h ASP 186 CO -0.07 0.76 -1.46 -1.54 -1.72 0.00 0.00 179.24 175.21 1nwu n SER 187 N -4.22 0.79 -0.10 6.45 3.41 -0.83 -4.65 113.62 114.47 1nwu n SER 187 Ca 0.02 0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1nwu n SER 187 Cb 0.30 0.29 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.84 1.09 -4.54 4.04 7.64 0.86 -3.60 113.62 116.26 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 0.83 0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 64.43 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 -2.44 2.72 -0.85 1.43 2.02 -0.98 -4.18 117.35 115.06 1nwu s TYR 189 Ca -0.16 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1nwu s TYR 189 Cb 0.06 -1.49 0.24 0.00 -0.40 0.00 0.00 41.96 40.37 1nwu s TYR 189 CO 0.67 0.35 0.89 -3.47 -1.57 0.00 0.00 175.55 172.42 1nwu n ASP 190 N 1.26 4.43 -0.32 2.29 -0.08 -1.26 -4.79 116.55 118.08 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 3.69 0.08 -0.57 5.18 1.08 -1.92 -1.63 117.51 123.42 1nwu h ILE 191 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 1nwu h ILE 191 Cb 0.72 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 1nwu h ILE 191 CO 0.94 0.00 0.26 0.00 -0.69 0.00 0.00 178.15 178.66 1nwu h ALA 192 N 1.49 0.73 0.16 1.87 0.00 -1.79 -1.38 119.26 120.33 1nwu h ALA 192 Ca 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1nwu h ALA 192 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nwu h ALA 192 CO -0.89 -0.10 -0.08 -0.22 0.00 0.00 0.00 179.25 177.96 1nwu h LYS 193 N 0.50 -0.21 0.00 0.00 1.63 -1.67 -3.29 116.57 113.53 1nwu h LYS 193 Ca 0.26 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1nwu h LYS 193 Cb 0.22 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1nwu h LYS 193 CO -0.21 0.17 -0.27 -0.84 -3.45 0.00 0.00 179.45 174.85 1nwu h ILE 194 N -0.63 0.80 0.00 2.00 3.07 -1.36 -2.96 117.51 118.43 1nwu h ILE 194 Ca -0.02 -1.08 -0.00 0.00 1.55 0.00 0.00 64.86 65.30 1nwu h ILE 194 Cb 0.47 1.66 -0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1nwu h ILE 194 CO 0.04 0.26 -0.02 0.28 -1.05 0.00 0.00 178.15 177.66 1nwu h SER 195 N 0.00 0.00 -0.38 2.16 0.02 -1.32 -2.00 113.55 112.04 1nwu h SER 195 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1nwu h SER 195 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1nwu h SER 195 CO 0.03 0.02 -0.34 1.56 -1.14 0.00 0.00 176.83 176.96 1nwu h GLN 196 N 0.00 0.92 0.00 3.45 4.20 -1.63 -3.30 115.11 118.75 1nwu h GLN 196 Ca -0.00 -0.46 -0.11 0.00 0.06 0.00 0.00 58.65 58.14 1nwu h GLN 196 Cb 0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1nwu h GLN 196 CO 0.00 1.11 -0.90 0.45 -0.67 0.00 0.00 178.83 178.82 1nwu h HIS 197 N 0.76 0.00 -3.76 2.96 3.86 -1.56 -3.47 115.15 113.95 1nwu h HIS 197 Ca 0.07 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.80 1nwu h HIS 197 Cb 0.92 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1nwu h HIS 197 CO 0.06 0.44 0.25 -0.51 0.86 0.00 0.00 177.93 179.03 1nwu s LEU 198 N -6.03 4.34 0.30 2.43 1.43 -0.80 -4.90 118.68 115.44 1nwu s LEU 198 Ca 0.01 1.67 0.16 0.00 -1.03 0.00 0.00 54.13 54.94 1nwu s LEU 198 Cb 0.08 -3.85 0.16 0.00 0.03 0.00 0.00 46.19 42.61 1nwu s LEU 198 CO 0.77 -0.03 1.49 0.44 0.23 0.00 0.00 176.35 179.25 1nwu h ASP 199 N 3.27 0.00 -3.72 2.29 3.32 -0.80 -3.47 116.42 117.31 1nwu h ASP 199 Ca -0.47 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.72 1nwu h ASP 199 Cb 1.19 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 1nwu h ASP 199 CO 0.65 0.48 0.71 0.72 -1.72 0.00 0.00 179.24 180.08 1nwu s PHE 200 N -3.05 -0.24 -0.13 4.55 -0.12 -1.24 -4.84 117.98 112.92 1nwu s PHE 200 Ca 0.03 0.40 0.01 0.00 -0.05 0.00 0.00 56.93 57.33 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 0.73 -0.22 -0.15 0.42 -0.05 0.00 0.00 175.22 175.96 1nwu s ILE 201 N -1.07 2.87 -0.35 -4.49 1.01 0.12 -2.92 121.20 116.37 1nwu s ILE 201 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1nwu s ILE 201 Cb -0.01 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 1nwu s ILE 201 CO -0.02 0.53 0.22 -0.44 0.00 0.00 0.00 174.94 175.23 1nwu s SER 202 N 0.37 5.87 -0.21 3.58 0.01 -0.03 -0.03 113.70 123.26 1nwu s SER 202 Ca -0.12 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.35 1nwu s SER 202 Cb -0.16 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 1nwu s SER 202 CO 0.06 -0.28 0.53 -0.51 0.41 0.00 0.00 173.24 173.46 1nwu s ILE 203 N 1.66 5.09 -1.42 1.44 2.07 -0.32 -0.26 121.20 129.46 1nwu s ILE 203 Ca 0.05 0.98 -0.15 0.00 -1.41 0.00 0.00 60.65 60.11 1nwu s ILE 203 Cb -0.18 -3.85 0.05 0.00 0.13 0.00 0.00 42.46 38.61 1nwu s ILE 203 CO 0.09 0.15 2.10 0.23 -1.91 0.00 0.00 174.94 175.59 1nwu n MET 204 N 4.96 2.94 -1.41 3.50 2.81 0.03 -0.85 117.12 129.10 1nwu n MET 204 Ca -0.04 -2.78 -0.40 0.00 -1.81 0.00 0.00 57.70 52.67 1nwu n MET 204 Cb 0.50 -3.35 -0.02 0.00 -0.71 0.00 0.00 33.22 29.64 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 5.45 3.18 -3.48 2.03 -2.24 -1.26 -3.81 114.28 114.15 1nwu n THR 205 Ca 0.51 -2.45 -0.03 0.00 -2.27 0.00 0.00 64.05 59.81 1nwu n THR 205 Cb 0.41 -2.50 0.01 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 5.65 -1.39 -2.70 4.78 0.18 -1.26 -4.74 117.16 117.68 1nwu n TYR 206 Ca 0.56 -0.78 -0.20 0.00 1.88 0.00 0.00 57.90 59.36 1nwu n TYR 206 Cb 0.33 0.39 0.01 0.00 -0.38 0.00 0.00 39.34 39.69 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 -1.13 -5.57 0.11 9.48 8.00 -0.46 -4.87 116.55 122.11 1nwu n ASP 207 Ca -0.03 -0.11 0.13 0.00 0.71 0.00 0.00 54.79 55.49 1nwu n ASP 207 Cb 0.28 -4.59 0.37 0.00 -0.02 0.00 0.00 41.12 37.17 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 -0.57 0.00 -4.03 1.24 0.04 -1.15 -3.46 116.94 109.02 1nwu h PHE 208 Ca -0.48 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.16 1nwu h PHE 208 Cb 1.34 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.37 1nwu h PHE 208 CO 0.58 0.00 -0.34 -1.58 -0.60 0.00 0.00 178.31 176.36 1nwu s HIS 209 N -3.11 0.63 0.00 -0.55 2.46 -1.26 -4.94 115.29 108.52 1nwu s HIS 209 Ca 0.10 -0.95 0.00 0.00 0.47 0.00 0.00 55.06 54.68 1nwu s HIS 209 Cb 0.12 -0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 1nwu s HIS 209 CO 0.61 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 172.50 1nwu n GLY 210 N -0.29 1.27 0.38 1.59 0.00 -1.26 -4.60 105.19 102.27 1nwu n GLY 210 Ca -0.02 -0.76 0.33 0.00 0.00 0.00 0.00 46.02 45.57 1nwu n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu n ALA 211 N -0.30 1.11 0.25 4.61 0.00 -1.26 -0.65 120.51 124.26 1nwu n ALA 211 Ca 0.00 0.77 0.18 0.00 0.00 0.00 0.00 53.44 54.39 1nwu n ALA 211 Cb 0.00 -0.90 0.87 0.00 0.00 0.00 0.00 19.45 19.42 1nwu n ALA 211 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1nwu h TRP 212 N 0.00 0.00 -0.00 0.00 5.08 -1.95 -0.96 115.95 118.13 1nwu h TRP 212 Ca 0.75 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.72 1nwu h TRP 212 Cb 2.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.48 1nwu h TRP 212 CO -0.01 0.00 -0.02 0.54 -1.28 0.00 0.00 178.44 177.68 1nwu n ARG 213 N -3.39 0.31 -0.91 0.12 1.74 0.17 -4.93 116.66 109.77 1nwu n ARG 213 Ca 0.01 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1nwu n ARG 213 Cb 0.36 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.35 1.10 3.17 -0.13 0.00 -0.36 -5.00 105.19 105.32 1nwu n GLY 214 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.82 0.10 0.38 2.61 -4.23 -1.26 -3.31 115.64 106.11 1nwu s THR 215 Ca 0.00 -1.84 -0.25 0.00 -1.18 0.00 0.00 61.69 58.42 1nwu s THR 215 Cb 0.00 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.75 1nwu s THR 215 CO 0.00 -0.46 1.04 0.42 -0.54 0.00 0.00 174.62 175.08 1nwu s THR 216 N -4.03 3.77 -0.19 3.99 -4.23 -0.43 -4.76 115.64 109.75 1nwu s THR 216 Ca 0.23 1.39 -0.28 0.00 -1.18 0.00 0.00 61.69 61.85 1nwu s THR 216 Cb 0.07 -3.73 0.11 0.00 1.34 0.00 0.00 72.50 70.28 1nwu s THR 216 CO 0.01 0.04 0.91 -0.83 -0.54 0.00 0.00 174.62 174.21 1nwu s GLY 217 N -1.53 -0.33 0.01 3.99 0.00 -1.26 -0.96 107.32 107.24 1nwu s GLY 217 Ca 0.56 2.11 -0.30 0.00 0.00 0.00 0.00 44.72 47.09 1nwu s GLY 217 CO 0.28 1.38 1.01 -1.58 0.00 0.00 0.00 173.10 174.18 1nwu s HIS 218 N -0.48 3.64 -1.32 1.90 5.65 -1.26 -4.69 115.29 118.73 1nwu s HIS 218 Ca -0.02 1.65 0.28 0.00 0.25 0.00 0.00 55.06 57.23 1nwu s HIS 218 Cb -0.02 -3.15 1.35 0.00 -1.18 0.00 0.00 32.58 29.57 1nwu s HIS 218 CO 0.01 -0.16 1.94 -2.39 -0.65 0.00 0.00 174.74 173.49 1nwu n HIS 219 N 3.88 0.00 -2.95 3.88 -0.00 -1.26 -4.18 115.22 114.59 1nwu n HIS 219 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.65 1nwu n HIS 219 Cb 0.50 -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 -0.59 113.62 112.95 1nwu n SER 220 Ca 0.12 -3.06 -0.35 0.00 -1.33 0.00 0.00 58.87 54.25 1nwu n SER 220 Cb 0.25 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.69 -0.03 -1.46 0.04 -1.26 -4.87 135.00 129.36 1nwu s PRO 221 Ca 0.32 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1nwu s PRO 221 Cb 0.36 -2.12 -0.25 0.00 0.04 0.00 0.00 34.50 32.54 1nwu s PRO 221 CO -0.05 -0.54 1.04 1.25 0.04 0.00 0.00 177.00 178.74 1nwu h LEU 222 N 1.55 0.40 -9.40 -3.56 5.85 -1.60 -0.55 115.31 108.00 1nwu h LEU 222 Ca -0.50 -0.80 -0.57 0.00 0.84 0.00 0.00 57.88 56.86 1nwu h LEU 222 Cb 1.23 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 42.00 1nwu h LEU 222 CO 0.59 1.15 -0.64 -0.36 -0.34 0.00 0.00 178.44 178.84 1nwu s PHE 223 N -3.05 2.26 0.22 1.25 0.08 -1.23 -0.01 117.98 117.49 1nwu s PHE 223 Ca -0.14 -0.68 -0.09 0.00 0.12 0.00 0.00 56.93 56.15 1nwu s PHE 223 Cb 0.02 -1.42 0.18 0.00 -0.57 0.00 0.00 43.02 41.23 1nwu s PHE 223 CO 0.79 0.37 1.86 -0.09 -0.10 0.00 0.00 175.22 178.06 1nwu h ARG 224 N 2.02 1.13 0.00 0.44 2.43 -1.91 -3.39 114.38 115.11 1nwu h ARG 224 Ca -0.42 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 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 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 180.39 1nwu n GLY 225 N -1.21 -1.24 3.29 2.80 0.00 -1.24 -4.76 105.19 102.83 1nwu n GLY 225 Ca 0.08 -1.26 -0.58 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 0.10 -0.20 1.61 7.27 -1.26 -4.74 117.38 120.16 1nwu n GLN 226 Ca 0.00 0.03 0.27 0.00 0.07 0.00 0.00 57.00 57.36 1nwu n GLN 226 Cb 0.00 -1.59 0.68 0.00 2.41 0.00 0.00 30.24 31.73 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 9.60 0.09 0.00 3.69 4.22 -1.95 -0.70 114.58 129.53 1nwu h GLU 227 Ca -0.11 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.20 1nwu h GLU 227 Cb 1.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1nwu h GLU 227 CO 1.11 0.06 -0.57 -0.44 -2.18 0.00 0.00 179.01 176.99 1nwu h ASP 228 N 0.09 0.00 -0.55 1.04 5.19 -1.98 -3.36 116.42 116.85 1nwu h ASP 228 Ca 0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1nwu h ASP 228 Cb 1.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.12 1nwu h ASP 228 CO -0.05 0.57 0.00 0.00 -3.12 0.00 0.00 179.24 176.64 1nwu n ALA 229 N -2.34 2.38 -4.03 3.45 0.00 -0.27 -4.87 120.51 114.82 1nwu n ALA 229 Ca -0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 53.44 51.98 1nwu n ALA 229 Cb 0.64 -0.84 -0.16 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.19 3.19 0.15 0.00 1.04 -1.23 -4.87 113.70 110.79 1nwu s SER 230 Ca 0.42 -0.75 -0.17 0.00 0.48 0.00 0.00 55.95 55.93 1nwu s SER 230 Cb 0.23 -1.29 0.06 0.00 0.10 0.00 0.00 66.02 65.12 1nwu s SER 230 CO 0.31 -0.09 1.73 -0.65 0.98 0.00 0.00 173.24 175.51 1nwu h PRO 231 N 7.98 0.16 -6.16 4.02 0.11 -1.91 -3.42 132.00 132.78 1nwu h PRO 231 Ca -0.34 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.27 1nwu h PRO 231 Cb 1.11 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1nwu h PRO 231 CO 0.52 0.11 -0.46 0.34 -0.21 0.00 0.00 178.00 178.31 1nwu s ASP 232 N -5.29 6.19 -0.01 -2.05 2.15 -1.26 -5.02 116.67 111.38 1nwu s ASP 232 Ca -0.13 0.05 0.18 0.00 0.43 0.00 0.00 52.55 53.08 1nwu s ASP 232 Cb 0.12 -1.80 -0.23 0.00 -0.30 0.00 0.00 42.92 40.72 1nwu s ASP 232 CO 0.70 -0.03 0.67 -2.11 -0.17 0.00 0.00 175.17 174.23 1nwu n ARG 233 N -1.14 0.84 0.01 4.34 1.85 -1.26 -4.50 116.66 116.81 1nwu n ARG 233 Ca -0.08 -0.05 0.11 0.00 -1.00 0.00 0.00 57.85 56.83 1nwu n ARG 233 Cb 0.56 -1.39 0.03 0.00 -1.05 0.00 0.00 32.46 30.61 1nwu n ARG 233 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nwu n PHE 234 N -1.64 0.14 -1.49 2.89 3.72 -1.26 -4.70 117.46 115.12 1nwu n PHE 234 Ca 0.01 0.04 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 1nwu n PHE 234 Cb 0.34 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1nwu n PHE 234 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nwu n SER 235 N -1.77 8.54 -3.55 4.37 7.64 -1.26 -4.52 113.62 123.07 1nwu n SER 235 Ca 0.03 -2.72 -0.14 0.00 1.01 0.00 0.00 58.87 57.05 1nwu n SER 235 Cb 0.39 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.04 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 1.72 -0.45 0.13 6.43 2.20 -1.26 -4.76 114.94 118.95 1nwu s ASN 236 Ca 0.66 0.14 -0.24 0.00 -0.94 0.00 0.00 52.86 52.47 1nwu s ASN 236 Cb 0.18 0.51 -0.02 0.00 -2.00 0.00 0.00 41.25 39.92 1nwu s ASN 236 CO -0.07 -0.76 1.64 0.74 -2.94 0.00 0.00 177.10 175.71 1nwu h THR 237 N 2.65 0.44 -0.53 0.54 2.02 -1.14 -2.83 112.91 114.06 1nwu h THR 237 Ca -0.31 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.97 1nwu h THR 237 Cb 1.23 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.00 1nwu h THR 237 CO 0.41 0.00 0.03 -0.78 0.37 0.00 0.00 175.52 175.55 1nwu h ASP 238 N -0.31 -0.17 -0.47 4.18 3.58 -0.67 -1.40 116.42 121.17 1nwu h ASP 238 Ca 0.09 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1nwu h ASP 238 Cb 0.44 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1nwu h ASP 238 CO -0.28 -0.06 0.28 0.22 -2.88 0.00 0.00 179.24 176.52 1nwu h TYR 239 N 0.15 0.62 -0.52 0.28 3.20 -1.78 -1.91 116.97 117.00 1nwu h TYR 239 Ca 0.27 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 1nwu h TYR 239 Cb 0.41 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1nwu h TYR 239 CO -0.30 0.44 0.31 0.00 -1.64 0.00 0.00 178.16 176.97 1nwu h ALA 240 N 1.13 0.67 0.23 1.82 0.00 -1.16 0.20 119.26 122.14 1nwu h ALA 240 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nwu h ALA 240 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nwu h ALA 240 CO -0.03 0.16 -0.11 0.28 0.00 0.00 0.00 179.25 179.55 1nwu h VAL 241 N 0.70 0.83 -0.90 0.00 2.07 -1.16 -0.78 116.25 117.00 1nwu h VAL 241 Ca 0.19 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1nwu h VAL 241 Cb -0.00 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1nwu h VAL 241 CO -0.03 0.06 0.57 1.23 0.02 0.00 0.00 177.57 179.42 1nwu h GLY 242 N -0.45 1.36 0.98 2.17 0.00 -1.21 -1.28 103.07 104.65 1nwu h GLY 242 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1nwu h GLY 242 CO 0.05 0.29 0.21 -1.82 0.00 0.00 0.00 176.54 175.27 1nwu h TYR 243 N 1.04 0.81 -0.28 5.60 3.20 -0.34 -0.64 116.97 126.36 1nwu h TYR 243 Ca 0.39 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 1nwu h TYR 243 Cb 0.16 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1nwu h TYR 243 CO -0.02 0.67 -0.26 1.98 -1.64 0.00 0.00 178.16 178.89 1nwu h MET 244 N 0.72 0.55 -0.71 1.82 4.05 -0.72 -1.32 114.93 119.32 1nwu h MET 244 Ca 0.18 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1nwu h MET 244 Cb 0.20 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1nwu h MET 244 CO -0.01 0.77 0.24 -0.07 0.23 0.00 0.00 176.91 178.06 1nwu h LEU 245 N 0.49 1.01 -1.24 3.39 3.38 -0.90 -2.27 115.31 119.17 1nwu h LEU 245 Ca 0.07 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1nwu h LEU 245 Cb 0.70 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1nwu h LEU 245 CO 0.05 0.94 -0.02 -0.09 0.09 0.00 0.00 178.44 179.41 1nwu h ARG 246 N 1.03 0.49 0.00 1.13 2.43 -0.57 -2.43 114.38 116.46 1nwu h ARG 246 Ca 0.23 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1nwu h ARG 246 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1nwu h ARG 246 CO -0.01 0.54 0.00 1.28 -1.51 0.00 0.00 179.97 180.27 1nwu n LEU 247 N -4.28 0.00 0.00 3.80 4.77 -0.55 -4.90 117.00 115.85 1nwu n LEU 247 Ca 0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1nwu n LEU 247 Cb 0.25 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nwu n LEU 247 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1nwu n GLY 248 N 1.00 1.17 3.65 -0.72 0.00 -0.92 -3.16 105.19 106.22 1nwu n GLY 248 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.68 0.28 4.61 0.00 -0.90 -4.59 121.76 122.83 1nwu s ALA 249 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 1nwu s ALA 249 Cb 0.00 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 1nwu s ALA 249 CO 0.00 -1.00 1.54 -2.14 0.00 0.00 0.00 175.76 174.15 1nwu s PRO 250 N 3.07 4.17 0.43 0.00 0.02 -1.26 -4.46 135.00 136.97 1nwu s PRO 250 Ca 0.41 2.48 0.14 0.00 0.02 0.00 0.00 61.00 64.04 1nwu s PRO 250 Cb -0.15 -3.05 1.02 0.00 0.02 0.00 0.00 34.50 32.33 1nwu s PRO 250 CO 0.06 -0.55 1.96 0.00 -0.33 0.00 0.00 177.00 178.14 1nwu h ALA 251 N 4.88 2.02 0.00 -1.55 0.00 -1.92 0.56 119.26 123.24 1nwu h ALA 251 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nwu h ALA 251 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nwu h ALA 251 CO 0.78 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 1nwu n SER 252 N -4.47 0.19 -0.29 0.00 3.41 -1.26 -1.30 113.62 109.90 1nwu n SER 252 Ca 0.11 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.31 1nwu n SER 252 Cb 0.40 -0.59 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 -1.72 0.11 -3.61 4.33 5.02 0.16 -4.38 118.16 118.07 1nwu n LYS 253 Ca 0.03 -0.96 -0.37 0.00 -2.02 0.00 0.00 58.31 54.98 1nwu n LYS 253 Cb 0.16 -1.14 -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 -0.61 4.11 -0.16 -0.35 2.96 -0.99 0.12 118.68 123.77 1nwu s LEU 254 Ca 0.09 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1nwu s LEU 254 Cb 0.06 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1nwu s LEU 254 CO 0.09 0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.35 1nwu s VAL 255 N 1.15 3.04 -0.20 1.68 1.01 0.96 -0.40 120.40 127.63 1nwu s VAL 255 Ca 0.09 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1nwu s VAL 255 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1nwu s VAL 255 CO 0.05 0.50 0.61 -0.32 0.00 0.00 0.00 175.10 175.95 1nwu s MET 256 N 0.70 4.21 0.19 2.72 1.75 -0.43 -1.17 119.30 127.26 1nwu s MET 256 Ca -0.06 0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 54.67 1nwu s MET 256 Cb -0.15 -3.58 -0.08 0.00 2.84 0.00 0.00 34.83 33.86 1nwu s MET 256 CO 0.02 -0.23 1.15 0.20 -0.65 0.00 0.00 175.02 175.51 1nwu s GLY 257 N 1.20 2.77 -0.07 2.11 0.00 -0.03 -0.38 107.32 112.93 1nwu s GLY 257 Ca 0.28 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.89 1nwu s GLY 257 CO 0.10 1.75 -0.07 -0.42 0.00 0.00 0.00 173.10 174.46 1nwu s ILE 258 N -0.19 0.79 0.24 0.90 1.01 0.11 -4.13 121.20 119.93 1nwu s ILE 258 Ca 0.51 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 1nwu s ILE 258 Cb -0.31 -0.80 -0.09 0.00 0.01 0.00 0.00 42.46 41.27 1nwu s ILE 258 CO 0.36 0.30 0.78 -2.16 0.00 0.00 0.00 174.94 174.22 1nwu s PRO 259 N 1.18 4.35 -0.17 2.79 0.04 -1.26 -2.62 135.00 139.32 1nwu s PRO 259 Ca -0.06 1.00 0.16 0.00 0.04 0.00 0.00 61.00 62.14 1nwu s PRO 259 Cb -0.14 -2.88 0.57 0.00 0.04 0.00 0.00 34.50 32.08 1nwu s PRO 259 CO -0.02 0.38 1.47 0.25 0.04 0.00 0.00 177.00 179.12 1nwu n THR 260 N 0.73 2.21 -4.23 1.26 -2.24 -0.50 -4.57 114.28 106.94 1nwu n THR 260 Ca -0.01 -1.67 -0.13 0.00 -2.27 0.00 0.00 64.05 59.96 1nwu n THR 260 Cb 0.51 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.57 1.17 0.33 4.78 -0.71 -1.26 -1.68 117.98 118.05 1nwu s PHE 261 Ca 0.43 -0.80 0.09 0.00 -1.04 0.00 0.00 56.93 55.61 1nwu s PHE 261 Cb 0.33 -0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 41.47 1nwu s PHE 261 CO 0.12 0.02 -0.01 0.20 -1.34 0.00 0.00 175.22 174.21 1nwu s GLY 262 N -3.14 2.04 -0.18 1.99 0.00 -0.10 -4.61 107.32 103.32 1nwu s GLY 262 Ca 0.16 -1.95 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 1nwu s GLY 262 CO -0.01 -1.91 -0.04 0.50 0.00 0.00 0.00 173.10 171.65 1nwu s ARG 263 N -3.69 3.56 0.24 2.90 1.81 -0.69 -2.46 118.95 120.63 1nwu s ARG 263 Ca 0.34 -0.56 0.08 0.00 -1.72 0.00 0.00 55.73 53.87 1nwu s ARG 263 Cb -0.01 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.50 1nwu s ARG 263 CO 0.19 0.08 0.08 -1.54 -0.68 0.00 0.00 175.30 173.43 1nwu s SER 264 N 0.79 5.02 0.04 0.23 1.04 -0.83 -1.67 113.70 118.31 1nwu s SER 264 Ca -0.01 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 1nwu s SER 264 Cb -0.15 -1.12 -0.03 0.00 0.10 0.00 0.00 66.02 64.83 1nwu s SER 264 CO 0.02 0.01 0.01 -0.36 0.98 0.00 0.00 173.24 173.90 1nwu s PHE 265 N -2.11 0.35 -0.27 5.02 0.08 0.92 -1.51 117.98 120.45 1nwu s PHE 265 Ca 0.31 -0.75 -0.10 0.00 0.12 0.00 0.00 56.93 56.51 1nwu s PHE 265 Cb -0.08 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1nwu s PHE 265 CO 0.22 -0.33 0.16 0.99 -0.10 0.00 0.00 175.22 176.16 1nwu s THR 266 N -2.90 5.04 0.47 0.64 2.01 -0.27 -1.76 115.64 118.87 1nwu s THR 266 Ca -0.02 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 1nwu s THR 266 Cb 0.01 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.05 1nwu s THR 266 CO -0.06 0.26 1.19 -0.76 -0.69 0.00 0.00 174.62 174.56 1nwu s LEU 267 N 1.72 3.99 0.00 4.42 1.43 0.12 -0.85 118.68 129.51 1nwu s LEU 267 Ca 0.07 2.35 0.18 0.00 -1.03 0.00 0.00 54.13 55.70 1nwu s LEU 267 Cb -0.16 -4.25 0.08 0.00 0.03 0.00 0.00 46.19 41.89 1nwu s LEU 267 CO 0.09 -0.99 1.00 0.00 0.23 0.00 0.00 176.35 176.67 1nwu n ALA 268 N -0.56 2.80 -3.00 4.21 0.00 -0.66 -4.56 120.51 118.74 1nwu n ALA 268 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1nwu n ALA 268 Cb 0.48 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 0.54 0.00 0.07 0.00 3.41 -1.26 -4.99 113.62 111.39 1nwu n SER 269 Ca 0.09 -0.70 0.13 0.00 -0.26 0.00 0.00 58.87 58.13 1nwu n SER 269 Cb 0.42 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.84 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 -1.03 0.49 -4.71 4.04 3.41 -1.26 -4.80 113.62 109.76 1nwu n SER 270 Ca 0.00 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1nwu n SER 270 Cb 0.00 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 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 -3.09 4.39 0.00 4.33 2.02 -1.26 -4.92 118.70 120.17 1nwu s GLU 271 Ca 0.11 1.89 0.00 0.00 0.02 0.00 0.00 54.97 56.99 1nwu s GLU 271 Cb 0.14 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1nwu s GLU 271 CO 0.53 -0.32 0.80 0.25 0.02 0.00 0.00 175.26 176.54 1nwu n THR 272 N 3.89 0.64 -2.02 3.63 -2.24 -1.26 -4.72 114.28 112.20 1nwu n THR 272 Ca 0.10 -0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 1nwu n THR 272 Cb 0.45 0.72 0.11 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.32 -0.42 3.72 3.38 0.00 -1.26 -4.95 105.19 105.34 1nwu n GLY 273 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.50 2.89 0.00 1.61 1.01 -1.26 -2.38 120.40 119.76 1nwu s VAL 274 Ca 0.48 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1nwu s VAL 274 Cb -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1nwu s VAL 274 CO 0.33 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1nwu n GLY 275 N 3.44 0.71 3.79 4.51 0.00 -0.13 -4.95 105.19 112.56 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 -2.03 2.62 0.40 4.61 0.00 -1.00 -4.57 121.76 121.79 1nwu s ALA 276 Ca 0.00 0.44 -0.26 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 -1.03 1.31 -2.14 0.00 0.00 0.00 175.76 173.91 1nwu s PRO 277 N -4.13 3.99 0.11 0.00 0.02 -1.26 -1.32 135.00 132.41 1nwu s PRO 277 Ca 0.65 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.88 1nwu s PRO 277 Cb -0.18 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 1nwu s PRO 277 CO 0.40 -0.49 -0.09 0.96 -0.33 0.00 0.00 177.00 177.45 1nwu s ILE 278 N -1.25 0.89 -1.38 2.83 -4.36 -1.21 -1.65 121.20 115.08 1nwu s ILE 278 Ca 0.56 -1.82 0.17 0.00 -0.26 0.00 0.00 60.65 59.31 1nwu s ILE 278 Cb -0.39 -1.55 -0.06 0.00 1.25 0.00 0.00 42.46 41.72 1nwu s ILE 278 CO 0.50 -0.70 0.86 -1.54 0.24 0.00 0.00 174.94 174.29 1nwu n SER 279 N 0.21 1.46 0.00 4.36 3.41 -0.03 -4.70 113.62 118.33 1nwu n SER 279 Ca -0.14 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1nwu n SER 279 Cb 0.59 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 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 1.27 -0.45 3.69 5.00 0.00 -1.25 -5.00 105.19 108.46 1nwu n GLY 280 Ca 0.06 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 1.12 0.89 1.61 0.04 -1.26 -1.11 135.00 134.28 1nwu s PRO 281 Ca 0.00 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 61.87 1nwu s PRO 281 Cb 0.00 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.88 1nwu s PRO 281 CO 0.00 -2.38 1.10 0.20 0.04 0.00 0.00 177.00 175.97 1nwu s GLY 282 N -3.23 1.60 0.23 0.56 0.00 -0.57 -3.35 107.32 102.55 1nwu s GLY 282 Ca 0.64 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 1nwu s GLY 282 CO 0.58 0.24 1.44 -0.42 0.00 0.00 0.00 173.10 174.93 1nwu s ILE 283 N -3.09 2.73 0.40 0.90 1.01 -1.26 -2.40 121.20 119.49 1nwu s ILE 283 Ca 0.63 0.60 -0.25 0.00 0.00 0.00 0.00 60.65 61.63 1nwu s ILE 283 Cb -0.16 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.81 1nwu s ILE 283 CO 0.55 0.09 1.02 -2.65 0.00 0.00 0.00 174.94 173.95 1nwu n PRO 284 N 2.58 1.38 -1.70 2.79 -0.02 -1.26 -4.68 135.00 134.08 1nwu n PRO 284 Ca 0.08 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 1nwu n PRO 284 Cb 0.40 -2.02 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.69 1.93 0.25 -1.23 0.00 -1.25 -4.83 107.32 101.49 1nwu s GLY 285 Ca 0.62 0.33 -0.06 0.00 0.00 0.00 0.00 44.72 45.61 1nwu s GLY 285 CO 0.58 0.66 1.90 3.21 0.00 0.00 0.00 173.10 179.44 1nwu h ARG 286 N -0.26 1.26 0.03 2.90 3.08 -1.96 -1.70 114.38 117.75 1nwu h ARG 286 Ca -0.45 -0.11 -0.38 0.00 0.07 0.00 0.00 59.98 59.10 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 0.88 -2.33 1.19 -1.07 0.00 0.00 179.97 179.20 1nwu n PHE 287 N -4.36 0.36 0.15 3.04 3.01 -1.26 -4.49 117.46 113.91 1nwu n PHE 287 Ca 0.10 0.08 0.04 0.00 1.01 0.00 0.00 57.45 58.68 1nwu n PHE 287 Cb 0.06 -1.05 0.04 0.00 -0.01 0.00 0.00 39.48 38.52 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 0.02 0.70 -6.74 4.37 1.35 -1.94 -3.42 112.91 107.24 1nwu h THR 288 Ca -0.53 -2.01 -0.55 0.00 -0.55 0.00 0.00 66.41 62.77 1nwu h THR 288 Cb 1.96 2.33 -0.08 0.00 -1.73 0.00 0.00 68.15 70.64 1nwu h THR 288 CO -0.03 0.40 -0.95 0.29 -0.25 0.00 0.00 175.52 174.98 1nwu n LYS 289 N -3.18 -1.59 -3.53 4.72 5.02 -0.64 -4.90 118.16 114.07 1nwu n LYS 289 Ca 0.02 0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 1nwu n LYS 289 Cb 0.71 -3.73 -0.14 0.00 -0.02 0.00 0.00 35.03 31.84 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 -6.94 0.15 0.15 1.97 2.12 -1.26 -4.90 118.70 110.00 1nwu s GLU 290 Ca 0.17 0.08 -0.34 0.00 0.36 0.00 0.00 54.97 55.25 1nwu s GLU 290 Cb -0.08 -1.39 -0.15 0.00 0.26 0.00 0.00 34.13 32.76 1nwu s GLU 290 CO 0.94 -0.68 1.31 0.00 -0.54 0.00 0.00 175.26 176.29 1nwu n ALA 291 N 5.30 -0.25 -0.38 6.30 0.00 -1.26 -1.48 120.51 128.75 1nwu n ALA 291 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1nwu n ALA 291 Cb 0.49 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.38 0.84 3.06 0.00 0.00 -1.01 -4.81 105.19 105.65 1nwu n GLY 292 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.83 0.79 -0.09 2.61 2.01 -0.55 -1.97 115.64 115.61 1nwu s THR 293 Ca 0.00 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1nwu s THR 293 Cb 0.00 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1nwu s THR 293 CO 0.00 0.04 0.20 -0.76 -0.69 0.00 0.00 174.62 173.41 1nwu s LEU 294 N -0.72 0.57 0.64 4.42 1.43 -1.03 -3.94 118.68 120.05 1nwu s LEU 294 Ca 0.01 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.39 1nwu s LEU 294 Cb -0.06 0.56 -0.02 0.00 0.03 0.00 0.00 46.19 46.70 1nwu s LEU 294 CO 0.00 -0.16 1.05 0.00 0.23 0.00 0.00 176.35 177.48 1nwu s ALA 295 N 1.20 2.76 0.29 4.21 0.00 -1.26 -0.93 121.76 128.03 1nwu s ALA 295 Ca -0.09 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1nwu s ALA 295 Cb -0.11 -3.19 0.54 0.00 0.00 0.00 0.00 23.12 20.36 1nwu s ALA 295 CO -0.07 -0.95 1.87 -0.92 0.00 0.00 0.00 175.76 175.68 1nwu h TYR 296 N -0.12 1.11 -0.13 0.00 3.20 0.09 0.09 116.97 121.21 1nwu h TYR 296 Ca -0.45 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.39 1nwu h TYR 296 Cb 1.21 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1nwu h TYR 296 CO 0.61 0.50 -0.20 0.10 -1.64 0.00 0.00 178.16 177.53 1nwu h TYR 297 N 1.02 0.24 -0.07 -3.82 -0.00 -1.80 -0.65 116.97 111.90 1nwu h TYR 297 Ca 0.45 -0.04 -0.16 0.00 0.00 0.00 0.00 58.73 58.99 1nwu h TYR 297 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 37.02 1nwu h TYR 297 CO -0.00 0.42 -0.65 0.93 -0.00 0.00 0.00 178.16 178.86 1nwu h GLU 298 N 0.21 0.26 -0.56 0.10 5.08 -1.40 -2.99 114.58 115.27 1nwu h GLU 298 Ca 0.04 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1nwu h GLU 298 Cb 0.48 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1nwu h GLU 298 CO 0.03 0.82 -0.06 0.82 -1.00 0.00 0.00 179.01 179.62 1nwu h ILE 299 N 0.19 1.26 -0.39 3.13 2.04 -0.12 -1.53 117.51 122.10 1nwu h ILE 299 Ca -0.01 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.69 1nwu h ILE 299 Cb 1.17 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1nwu h ILE 299 CO 0.10 0.43 0.26 0.00 0.00 0.00 0.00 178.15 178.94 1nwu h ASP 301 N 0.34 0.10 -0.97 0.00 3.32 -1.39 -3.19 116.42 114.64 1nwu h ASP 301 Ca 0.16 -0.61 0.17 0.00 0.02 0.00 0.00 57.03 56.77 1nwu h ASP 301 Cb 0.22 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.64 1nwu h ASP 301 CO -0.04 0.68 0.58 0.15 -1.72 0.00 0.00 179.24 178.89 1nwu h PHE 302 N -0.49 1.02 -0.11 4.55 3.57 -0.09 -0.82 116.94 124.57 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 0.67 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1nwu h PHE 302 CO 0.13 0.27 0.15 -0.07 -2.23 0.00 0.00 178.31 176.56 1nwu h LEU 303 N 0.78 0.00 -8.86 0.59 3.38 -0.10 -3.36 115.31 107.74 1nwu h LEU 303 Ca 0.54 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.94 1nwu h LEU 303 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1nwu h LEU 303 CO -0.35 0.00 1.33 -0.13 0.09 0.00 0.00 178.44 179.38 1nwu s ARG 304 N -4.52 3.22 0.00 1.13 0.52 -0.32 -1.14 118.95 117.85 1nwu s ARG 304 Ca -0.05 1.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1nwu s ARG 304 Cb 0.14 -4.25 0.00 0.00 0.52 0.00 0.00 34.95 31.36 1nwu s ARG 304 CO 0.50 -1.99 0.00 0.41 0.02 0.00 0.00 175.30 174.24 1nwu n GLY 305 N 5.52 0.71 3.89 -3.53 0.00 -1.26 -5.06 105.19 105.46 1nwu n GLY 305 Ca 0.24 0.00 -0.21 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 -2.17 3.94 -0.18 4.61 0.00 -0.29 -4.93 121.76 122.74 1nwu s ALA 306 Ca 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 1nwu s ALA 306 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1nwu s ALA 306 CO 0.00 0.00 -0.00 0.99 0.00 0.00 0.00 175.76 176.75 1nwu s THR 307 N -2.26 4.09 -0.15 0.00 2.01 -0.70 -4.95 115.64 113.67 1nwu s THR 307 Ca 0.42 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.09 1nwu s THR 307 Cb -0.07 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 1nwu s THR 307 CO 0.28 0.46 0.02 -0.69 -0.69 0.00 0.00 174.62 174.00 1nwu s VAL 308 N 0.60 4.41 -0.04 3.82 1.01 -1.26 -1.41 120.40 127.54 1nwu s VAL 308 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1nwu s VAL 308 Cb -0.14 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1nwu s VAL 308 CO 0.02 0.51 -0.22 -1.00 0.00 0.00 0.00 175.10 174.41 1nwu s HIS 309 N 0.06 2.07 -0.28 5.22 3.76 -0.40 -4.99 115.29 120.73 1nwu s HIS 309 Ca 0.03 -0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 54.21 1nwu s HIS 309 Cb -0.13 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.18 1nwu s HIS 309 CO 0.02 -0.15 0.53 1.03 -0.85 0.00 0.00 174.74 175.32 1nwu s ARG 310 N -0.20 3.96 -0.43 1.40 1.81 -1.26 -1.91 118.95 122.32 1nwu s ARG 310 Ca -0.00 0.23 -0.29 0.00 -1.72 0.00 0.00 55.73 53.95 1nwu s ARG 310 Cb -0.12 -3.69 0.02 0.00 -0.45 0.00 0.00 34.95 30.71 1nwu s ARG 310 CO 0.02 -0.44 1.26 0.42 -0.68 0.00 0.00 175.30 175.88 1nwu s ILE 311 N 2.37 4.09 0.33 1.52 1.01 0.05 -4.97 121.20 125.60 1nwu s ILE 311 Ca 0.21 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 1nwu s ILE 311 Cb -0.15 -4.40 -0.10 0.00 0.01 0.00 0.00 42.46 37.81 1nwu s ILE 311 CO 0.10 -0.85 1.37 -0.76 0.00 0.00 0.00 174.94 174.80 1nwu s LEU 312 N 4.83 4.40 0.00 2.97 1.43 -1.26 -1.12 118.68 129.93 1nwu s LEU 312 Ca 0.54 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.40 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 0.31 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1nwu n GLY 313 N 0.98 2.35 0.07 -3.19 0.00 -1.26 -4.42 105.19 99.72 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 0.58 -1.92 1.61 6.02 -1.04 -3.73 117.38 118.90 1nwu n GLN 314 Ca 0.00 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 1nwu n GLN 314 Cb 0.00 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.52 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 -2.45 -1.20 -4.16 -1.09 1.13 -0.27 -1.50 117.38 107.84 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 -5.20 -0.10 0.00 0.11 0.00 0.00 30.24 25.59 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 -2.71 0.71 0.22 5.09 -7.23 -1.25 -4.66 120.40 110.58 1nwu s VAL 316 Ca 0.00 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1nwu s VAL 316 Cb 0.00 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1nwu s VAL 316 CO 0.00 -0.78 0.31 -2.16 -0.31 0.00 0.00 175.10 172.16 1nwu s PRO 317 N -3.44 3.33 0.06 4.82 0.04 -1.24 -0.77 135.00 137.80 1nwu s PRO 317 Ca 0.08 -0.79 0.02 0.00 0.04 0.00 0.00 61.00 60.36 1nwu s PRO 317 Cb 0.02 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1nwu s PRO 317 CO -0.03 0.44 -0.08 1.52 0.04 0.00 0.00 177.00 178.89 1nwu s TYR 318 N -1.96 0.79 0.05 0.56 -0.85 -0.80 -2.05 117.35 113.08 1nwu s TYR 318 Ca 0.34 -0.62 0.06 0.00 -0.52 0.00 0.00 57.07 56.33 1nwu s TYR 318 Cb -0.09 -0.46 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 1nwu s TYR 318 CO 0.28 -0.09 -0.17 0.00 -1.52 0.00 0.00 175.55 174.05 1nwu s ALA 319 N -2.04 1.44 0.01 9.51 0.00 -0.09 -1.27 121.76 129.32 1nwu s ALA 319 Ca -0.03 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1nwu s ALA 319 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1nwu s ALA 319 CO -0.01 0.30 -0.01 -0.08 0.00 0.00 0.00 175.76 175.96 1nwu s THR 320 N -0.86 0.05 -0.28 0.00 -1.32 -0.50 -1.06 115.64 111.67 1nwu s THR 320 Ca 0.04 -0.42 -0.13 0.00 -1.21 0.00 0.00 61.69 59.98 1nwu s THR 320 Cb -0.08 -0.13 0.10 0.00 -1.51 0.00 0.00 72.50 70.88 1nwu s THR 320 CO 0.02 -0.23 0.64 -0.75 -2.21 0.00 0.00 174.62 172.09 1nwu s LYS 321 N -0.67 0.61 5.36 7.08 2.20 -0.70 -1.73 119.74 131.90 1nwu s LYS 321 Ca -0.07 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1nwu s LYS 321 Cb -0.05 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1nwu s LYS 321 CO -0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nwu n GLY 322 N 4.82 2.61 1.19 5.54 0.00 -1.26 -1.46 105.19 116.62 1nwu n GLY 322 Ca -0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 0.19 2.98 -4.52 1.61 6.94 -1.26 -4.87 115.26 116.33 1nwu n ASN 323 Ca 0.00 -2.45 -0.30 0.00 -0.02 0.00 0.00 54.58 51.81 1nwu n ASN 323 Cb 0.00 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 36.72 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 -1.53 2.14 -0.13 -3.83 -1.52 -0.54 0.15 119.66 114.40 1nwu s GLN 324 Ca 0.21 -0.97 -0.08 0.00 -1.95 0.00 0.00 55.36 52.57 1nwu s GLN 324 Cb 0.17 -2.27 0.05 0.00 -0.22 0.00 0.00 33.01 30.73 1nwu s GLN 324 CO 0.05 0.53 0.31 -0.46 -0.25 0.00 0.00 175.29 175.48 1nwu s TRP 325 N -1.06 -0.41 -0.07 0.91 -0.00 -0.72 -1.71 118.94 115.88 1nwu s TRP 325 Ca 0.18 0.95 -0.03 0.00 -0.00 0.00 0.00 56.10 57.19 1nwu s TRP 325 Cb -0.11 0.13 0.04 0.00 -0.00 0.00 0.00 33.47 33.53 1nwu s TRP 325 CO 0.09 -0.25 0.15 0.54 -0.00 0.00 0.00 176.95 177.48 1nwu s VAL 326 N 0.99 -0.04 -0.18 5.86 0.11 -0.23 -0.06 120.40 126.85 1nwu s VAL 326 Ca -0.07 0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.04 1nwu s VAL 326 Cb -0.07 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1nwu s VAL 326 CO -0.07 0.07 0.18 -0.83 -3.33 0.00 0.00 175.10 171.12 1nwu s GLY 327 N 1.08 2.11 0.13 6.54 0.00 -0.67 -0.91 107.32 115.60 1nwu s GLY 327 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 1nwu s GLY 327 CO -0.06 0.19 0.22 1.58 0.00 0.00 0.00 173.10 175.03 1nwu n TYR 328 N 3.39 -1.08 -5.23 1.90 4.11 -0.87 -1.70 117.16 117.70 1nwu n TYR 328 Ca -0.15 -0.79 -0.31 0.00 -0.00 0.00 0.00 57.90 56.65 1nwu n TYR 328 Cb 0.52 0.25 -0.16 0.00 -0.00 0.00 0.00 39.34 39.96 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 -1.77 3.23 0.36 9.48 1.01 -1.26 -3.69 116.67 124.02 1nwu s ASP 329 Ca 0.09 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.94 1nwu s ASP 329 Cb -0.01 -0.51 -0.01 0.00 1.01 0.00 0.00 42.92 43.40 1nwu s ASP 329 CO 0.06 0.31 0.07 -0.90 0.21 0.00 0.00 175.17 174.93 1nwu n ASP 330 N 2.50 1.94 -0.23 0.27 5.68 -1.26 -4.94 116.55 120.50 1nwu n ASP 330 Ca -0.16 -2.77 0.04 0.00 -0.50 0.00 0.00 54.79 51.39 1nwu n ASP 330 Cb 0.51 0.62 0.15 0.00 -1.14 0.00 0.00 41.12 41.26 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 0.17 -0.41 0.11 7.50 -1.93 -0.25 115.11 120.30 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 1.00 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.47 1nwu h GLN 331 CO 0.47 0.11 0.15 1.49 -1.50 0.00 0.00 178.83 179.55 1nwu h GLU 332 N 0.17 0.62 -0.23 1.46 4.81 -2.00 -2.45 114.58 116.97 1nwu h GLU 332 Ca 0.38 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 1nwu h GLU 332 Cb 0.65 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1nwu h GLU 332 CO -0.55 0.59 -0.54 0.66 -0.73 0.00 0.00 179.01 178.43 1nwu h SER 333 N 0.52 0.77 0.19 1.04 4.64 -1.60 -2.78 113.55 116.34 1nwu h SER 333 Ca 0.14 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1nwu h SER 333 Cb 0.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1nwu h SER 333 CO -0.01 1.16 -0.24 -0.37 -0.87 0.00 0.00 176.83 176.51 1nwu h VAL 334 N 0.53 1.20 -0.26 0.95 -1.51 -1.04 -0.65 116.25 115.47 1nwu h VAL 334 Ca 0.01 -0.93 -0.01 0.00 -1.23 0.00 0.00 66.70 64.54 1nwu h VAL 334 Cb 1.12 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1nwu h VAL 334 CO 0.11 0.27 0.11 0.50 -1.23 0.00 0.00 177.57 177.34 1nwu h LYS 335 N 0.09 0.39 -0.61 5.19 3.64 -1.30 0.04 116.57 124.01 1nwu h LYS 335 Ca 0.01 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1nwu h LYS 335 Cb 0.47 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1nwu h LYS 335 CO 0.03 0.41 0.30 0.77 -2.27 0.00 0.00 179.45 178.70 1nwu h SER 336 N 0.28 0.79 -0.64 4.20 0.02 -1.13 -0.15 113.55 116.93 1nwu h SER 336 Ca 0.09 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1nwu h SER 336 Cb 0.16 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1nwu h SER 336 CO -0.01 0.69 0.26 0.11 -1.14 0.00 0.00 176.83 176.75 1nwu h LYS 337 N 0.84 0.98 -0.47 3.45 1.57 -0.84 -0.42 116.57 121.68 1nwu h LYS 337 Ca 0.21 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1nwu h LYS 337 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nwu h LYS 337 CO -0.03 0.80 -0.11 0.28 -0.57 0.00 0.00 179.45 179.82 1nwu h VAL 338 N 0.96 1.27 -0.90 0.50 2.07 -0.51 -1.18 116.25 118.46 1nwu h VAL 338 Ca 0.23 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1nwu h VAL 338 Cb 0.19 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1nwu h VAL 338 CO -0.02 0.43 0.56 -0.61 0.02 0.00 0.00 177.57 177.95 1nwu h GLN 339 N 0.76 0.96 -0.22 1.57 5.75 -0.39 -0.23 115.11 123.31 1nwu h GLN 339 Ca 0.12 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1nwu h GLN 339 Cb 0.67 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1nwu h GLN 339 CO 0.05 0.63 0.09 -0.92 -2.65 0.00 0.00 178.83 176.02 1nwu h TYR 340 N 0.99 0.34 -0.22 3.99 3.20 -0.65 -1.31 116.97 123.29 1nwu h TYR 340 Ca 0.40 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.15 1nwu h TYR 340 Cb 0.23 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1nwu h TYR 340 CO -0.03 0.38 -0.28 1.37 -1.64 0.00 0.00 178.16 177.96 1nwu h LEU 341 N 0.20 0.44 -0.43 2.82 8.10 -0.63 -1.91 115.31 123.91 1nwu h LEU 341 Ca 0.07 -0.15 -0.11 0.00 0.11 0.00 0.00 57.88 57.80 1nwu h LEU 341 Cb 0.19 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.27 1nwu h LEU 341 CO -0.01 0.71 -0.14 0.11 -4.11 0.00 0.00 178.44 175.00 1nwu h LYS 342 N 0.38 0.86 0.00 0.17 1.57 -0.94 -1.12 116.57 117.49 1nwu h LYS 342 Ca 0.05 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1nwu h LYS 342 Cb 0.69 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1nwu h LYS 342 CO 0.05 0.99 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.40 1nwu h ASP 343 N 0.69 0.00 0.02 0.86 3.32 -0.94 0.16 116.42 120.51 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 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1nwu h ASP 343 CO 0.05 0.08 -0.05 0.54 -1.72 0.00 0.00 179.24 178.15 1nwu n ARG 344 N -4.00 1.64 -3.70 3.56 5.12 -0.74 -4.96 116.66 113.57 1nwu n ARG 344 Ca -0.03 -1.05 -0.24 0.00 -1.93 0.00 0.00 57.85 54.61 1nwu n ARG 344 Cb 0.17 -1.48 0.05 0.00 -1.16 0.00 0.00 32.46 30.04 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 0.23 -6.01 -2.19 5.56 6.02 0.04 -4.95 117.38 116.09 1nwu n GLN 345 Ca 0.17 0.69 -0.28 0.00 -0.01 0.00 0.00 57.00 57.57 1nwu n GLN 345 Cb 0.39 -5.53 0.04 0.00 1.02 0.00 0.00 30.24 26.16 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 -6.95 3.10 0.57 1.08 1.43 -0.62 -4.10 118.68 113.19 1nwu s LEU 346 Ca 0.33 0.88 0.34 0.00 -1.03 0.00 0.00 54.13 54.64 1nwu s LEU 346 Cb -0.16 -3.69 1.74 0.00 0.03 0.00 0.00 46.19 44.11 1nwu s LEU 346 CO 0.79 -1.18 2.15 0.00 0.23 0.00 0.00 176.35 178.34 1nwu h ALA 347 N -0.37 1.15 0.00 4.21 0.00 0.63 -3.46 119.26 121.41 1nwu h ALA 347 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nwu h ALA 347 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nwu h ALA 347 CO 0.62 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1nwu n GLY 348 N -0.66 0.18 3.34 0.00 0.00 -1.23 -0.17 105.19 106.65 1nwu n GLY 348 Ca -0.02 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 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 2.10 -0.00 4.61 0.00 -0.65 -1.32 121.76 125.50 1nwu s ALA 349 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.61 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 0.38 -0.23 1.41 0.00 0.00 0.00 175.76 177.31 1nwu s MET 350 N -2.31 2.08 -0.11 0.00 0.00 0.49 -0.97 119.30 118.49 1nwu s MET 350 Ca 0.13 -0.95 0.03 0.00 0.00 0.00 0.00 55.69 54.90 1nwu s MET 350 Cb -0.09 -2.09 0.01 0.00 0.00 0.00 0.00 34.83 32.66 1nwu s MET 350 CO 0.06 0.55 -0.20 0.08 0.00 0.00 0.00 175.02 175.51 1nwu s VAL 351 N -0.72 1.85 -0.26 10.11 1.01 0.12 0.04 120.40 132.56 1nwu s VAL 351 Ca 0.11 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1nwu s VAL 351 Cb -0.10 -1.63 0.07 0.00 0.00 0.00 0.00 36.38 34.72 1nwu s VAL 351 CO 0.01 0.51 -0.01 0.86 0.00 0.00 0.00 175.10 176.47 1nwu s TRP 352 N 0.64 2.40 0.10 5.22 -0.11 -1.08 -1.61 118.94 124.50 1nwu s TRP 352 Ca -0.12 -1.88 -0.05 0.00 1.22 0.00 0.00 56.10 55.26 1nwu s TRP 352 Cb -0.16 -1.76 -0.02 0.00 -1.50 0.00 0.00 33.47 30.03 1nwu s TRP 352 CO 0.03 -0.81 0.13 0.00 -4.62 0.00 0.00 176.95 171.68 1nwu s ALA 353 N 1.39 0.18 0.28 5.86 0.00 -1.26 -1.41 121.76 126.81 1nwu s ALA 353 Ca -0.01 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1nwu s ALA 353 Cb -0.19 0.56 0.65 0.00 0.00 0.00 0.00 23.12 24.15 1nwu s ALA 353 CO -0.10 -0.50 1.75 -0.07 0.00 0.00 0.00 175.76 176.85 1nwu h LEU 354 N 2.83 0.59 0.00 0.00 3.38 -1.04 0.15 115.31 121.23 1nwu h LEU 354 Ca -0.34 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1nwu h LEU 354 Cb 1.19 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1nwu h LEU 354 CO 0.58 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.40 1nwu n ASP 355 N -4.87 0.00 -0.00 -0.43 5.68 -1.26 -2.62 116.55 113.05 1nwu n ASP 355 Ca 0.20 -0.54 0.08 0.00 -0.50 0.00 0.00 54.79 54.03 1nwu n ASP 355 Cb 0.53 -0.10 -0.10 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 -1.10 0.59 -4.89 -2.12 4.77 0.03 -4.87 117.00 109.41 1nwu n LEU 356 Ca 0.16 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 1nwu n LEU 356 Cb 0.12 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.34 1nwu n LEU 356 CO 0.16 0.15 0.80 -0.62 -1.33 0.00 0.00 177.39 176.55 1nwu s ASP 357 N -2.85 3.93 -1.32 -1.43 -1.08 -1.08 -0.57 116.67 112.27 1nwu s ASP 357 Ca 0.03 0.65 -0.16 0.00 -0.52 0.00 0.00 52.55 52.55 1nwu s ASP 357 Cb 0.12 -1.02 0.08 0.00 -1.46 0.00 0.00 42.92 40.64 1nwu s ASP 357 CO 0.67 -2.26 1.81 -0.67 0.52 0.00 0.00 175.17 175.24 1nwu n ASP 358 N -3.52 4.77 0.20 -0.34 2.03 -1.26 -4.55 116.55 113.88 1nwu n ASP 358 Ca 0.10 -2.92 0.04 0.00 0.52 0.00 0.00 54.79 52.53 1nwu n ASP 358 Cb 0.60 -1.70 0.42 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 7.12 0.00 -0.11 -0.67 -5.15 -1.90 0.64 116.94 116.87 1nwu h PHE 359 Ca 0.46 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 58.07 1nwu h PHE 359 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.98 1nwu h PHE 359 CO 1.39 0.31 -0.61 1.96 -2.00 0.00 0.00 178.31 179.36 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 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1nwu h GLN 360 Cb 0.58 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1nwu h GLN 360 CO 0.04 0.87 -0.00 0.41 -0.95 0.00 0.00 178.83 179.20 1nwu n GLY 361 N 0.31 0.47 0.00 3.46 0.00 -0.88 -4.77 105.19 103.78 1nwu n GLY 361 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 0.75 0.08 1.61 3.41 -1.26 -3.17 113.62 115.00 1nwu n SER 362 Ca -0.00 -0.78 -0.22 0.00 -0.26 0.00 0.00 58.87 57.60 1nwu n SER 362 Cb 0.03 1.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.71 -0.49 7.33 -1.00 -1.90 -3.35 116.94 118.23 1nwu h PHE 363 Ca 0.00 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.26 1nwu h PHE 363 Cb 0.37 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1nwu h PHE 363 CO 0.00 1.64 0.00 0.00 -1.61 0.00 0.00 178.31 178.34 1nwu n GLY 365 N 1.11 -1.09 4.37 0.00 0.00 -1.26 -4.83 105.19 103.51 1nwu n GLY 365 Ca 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.94 0.00 -0.62 1.61 1.13 -1.26 -3.76 117.38 113.54 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 -3.03 0.00 0.00 0.11 0.00 0.00 30.24 27.32 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 -1.84 -4.70 1.08 8.00 -1.19 -4.91 116.55 112.99 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 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.42 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 4.33 0.26 0.64 2.96 -1.25 -4.79 118.68 120.83 1nwu s LEU 368 Ca 0.00 1.82 -0.21 0.00 -0.22 0.00 0.00 54.13 55.52 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 -0.46 0.80 -0.13 -1.32 0.00 0.00 176.35 175.23 1nwu s ARG 369 N 1.54 4.34 -1.29 1.98 0.52 -1.26 -4.14 118.95 120.64 1nwu s ARG 369 Ca 0.55 1.00 -0.09 0.00 -0.52 0.00 0.00 55.73 56.68 1nwu s ARG 369 Cb -0.25 -2.82 -0.00 0.00 0.52 0.00 0.00 34.95 32.40 1nwu s ARG 369 CO 0.25 0.34 0.60 1.19 0.02 0.00 0.00 175.30 177.70 1nwu n PHE 370 N 0.60 -1.77 -0.26 -0.53 3.72 0.16 -4.78 117.46 114.60 1nwu n PHE 370 Ca -0.01 0.63 0.02 0.00 -0.05 0.00 0.00 57.45 58.04 1nwu n PHE 370 Cb 0.51 -3.69 0.15 0.00 -0.94 0.00 0.00 39.48 35.51 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 -1.88 0.61 -0.24 -1.08 0.13 -1.75 0.21 132.00 128.00 1nwu h PRO 371 Ca -0.64 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 1nwu h PRO 371 Cb 1.37 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nwu h PRO 371 CO 0.56 0.41 -0.36 -0.07 -0.23 0.00 0.00 178.00 178.31 1nwu h LEU 372 N 0.63 0.73 -0.84 1.56 3.38 -1.94 -1.50 115.31 117.33 1nwu h LEU 372 Ca 0.36 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1nwu h LEU 372 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1nwu h LEU 372 CO -0.27 1.11 -0.36 0.74 0.09 0.00 0.00 178.44 179.74 1nwu h THR 373 N 0.39 1.29 -0.15 0.22 2.02 -1.87 -1.82 112.91 112.98 1nwu h THR 373 Ca 0.02 -1.47 -0.16 0.00 0.77 0.00 0.00 66.41 65.57 1nwu h THR 373 Cb 0.94 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1nwu h THR 373 CO 0.08 0.46 -0.58 0.78 0.37 0.00 0.00 175.52 176.63 1nwu h ASN 374 N 0.36 0.55 -0.89 4.18 2.35 -0.95 -1.12 115.58 120.06 1nwu h ASN 374 Ca 0.04 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1nwu h ASN 374 Cb 0.81 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 1nwu h ASN 374 CO 0.07 1.01 0.57 0.00 -1.65 0.00 0.00 177.43 177.43 1nwu h ALA 375 N 1.00 1.13 -0.45 -0.83 0.00 -0.95 0.15 119.26 119.31 1nwu h ALA 375 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1nwu h ALA 375 Cb 1.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nwu h ALA 375 CO 0.10 0.56 -0.09 0.82 0.00 0.00 0.00 179.25 180.64 1nwu h ILE 376 N 1.22 1.27 0.16 0.00 2.04 -1.09 -1.75 117.51 119.36 1nwu h ILE 376 Ca 0.32 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1nwu h ILE 376 Cb -0.11 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1nwu h ILE 376 CO -0.07 0.41 -0.08 0.50 0.00 0.00 0.00 178.15 178.92 1nwu h LYS 377 N 0.69 -0.21 -0.94 2.37 3.64 -0.66 -1.40 116.57 120.07 1nwu h LYS 377 Ca 0.12 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1nwu h LYS 377 Cb 0.63 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 1nwu h LYS 377 CO 0.04 -0.03 0.61 -0.44 -2.27 0.00 0.00 179.45 177.37 1nwu h ASP 378 N -0.35 1.00 -0.17 4.20 3.32 -0.71 -1.86 116.42 121.85 1nwu h ASP 378 Ca -0.02 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1nwu h ASP 378 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1nwu h ASP 378 CO 0.04 0.67 -0.24 0.00 -1.72 0.00 0.00 179.24 177.99 1nwu h ALA 379 N 1.46 0.98 -0.12 3.45 0.00 -1.15 -0.51 119.26 123.38 1nwu h ALA 379 Ca 0.38 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1nwu h ALA 379 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nwu h ALA 379 CO -0.12 0.60 -0.34 -0.07 0.00 0.00 0.00 179.25 179.32 1nwu h LEU 380 N 0.55 0.23 0.00 0.00 3.38 -0.47 -2.94 115.31 116.07 1nwu h LEU 380 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nwu h LEU 380 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1nwu h LEU 380 CO 0.05 0.56 -0.76 0.00 0.09 0.00 0.00 178.44 178.38 1nwu h ALA 381 N 1.45 0.61 -2.16 1.53 0.00 -1.16 -3.47 119.26 116.07 1nwu h ALA 381 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.49 1nwu h ALA 381 Cb 0.70 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.70 1nwu h ALA 381 CO 0.05 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.34 1nwu s ALA 382 N -3.32 -0.28 0.00 0.00 0.00 -0.22 -5.10 121.76 112.83 1nwu s ALA 382 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1nwu s ALA 382 Cb 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1nwu s ALA 382 CO 0.76 -3.75 0.00 2.41 0.00 0.00 0.00 175.76 175.18