#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwt s LYS 23 N 0.00 4.37 -0.52 -0.72 1.02 -0.17 -4.96 119.74 118.76 1nwt s LYS 23 Ca 0.00 0.97 0.04 0.00 0.02 0.00 0.00 55.97 56.99 1nwt s LYS 23 Cb 0.00 -3.09 0.15 0.00 -0.52 0.00 0.00 37.83 34.38 1nwt s LYS 23 CO 0.00 0.50 0.34 -1.17 -0.92 0.00 0.00 175.35 174.11 1nwt s LEU 24 N -1.51 3.20 -0.22 3.17 2.96 -1.26 -2.30 118.68 122.72 1nwt s LEU 24 Ca 0.38 -3.14 -0.29 0.00 -0.22 0.00 0.00 54.13 50.85 1nwt s LEU 24 Cb -0.20 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.36 1nwt s LEU 24 CO 0.23 -0.18 1.12 -0.69 -1.32 0.00 0.00 176.35 175.51 1nwt s VAL 25 N -0.34 4.52 -0.07 1.68 1.01 -0.77 -2.00 120.40 124.44 1nwt s VAL 25 Ca 0.23 1.83 0.05 0.00 0.00 0.00 0.00 61.98 64.09 1nwt s VAL 25 Cb -0.12 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1nwt s VAL 25 CO -0.10 -0.20 -0.24 0.00 0.00 0.00 0.00 175.10 174.57 1nwt s TYR 27 N 0.04 3.54 -0.05 0.00 2.02 -0.75 0.37 117.35 122.53 1nwt s TYR 27 Ca -0.09 0.73 0.02 0.00 -0.37 0.00 0.00 57.07 57.36 1nwt s TYR 27 Cb -0.15 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1nwt s TYR 27 CO 0.05 0.47 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.95 1nwt s TYR 28 N -1.51 1.08 -0.16 2.71 5.04 -0.08 -0.49 117.35 123.94 1nwt s TYR 28 Ca 0.37 -0.34 -0.08 0.00 -2.44 0.00 0.00 57.07 54.57 1nwt s TYR 28 Cb -0.13 -0.83 -0.04 0.00 0.35 0.00 0.00 41.96 41.30 1nwt s TYR 28 CO 0.20 -0.21 0.11 0.95 -1.34 0.00 0.00 175.55 175.27 1nwt s THR 29 N 0.66 5.24 -0.08 4.34 -4.23 -1.26 -0.76 115.64 119.55 1nwt s THR 29 Ca -0.11 0.12 0.29 0.00 -1.18 0.00 0.00 61.69 60.81 1nwt s THR 29 Cb -0.14 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.68 1nwt s THR 29 CO 0.02 0.52 1.88 0.77 -0.54 0.00 0.00 174.62 177.27 1nwt h SER 30 N 5.96 0.00 0.13 3.99 4.64 -1.03 -2.91 113.55 124.34 1nwt h SER 30 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nwt h SER 30 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nwt h SER 30 CO 0.67 0.00 -0.26 -2.67 -0.87 0.00 0.00 176.83 173.70 1nwt n TRP 31 N -2.59 0.00 0.37 4.77 2.14 -1.26 -4.02 117.44 116.85 1nwt n TRP 31 Ca -0.00 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.71 1nwt n TRP 31 Cb 0.17 -0.07 0.51 0.00 -0.81 0.00 0.00 31.31 31.11 1nwt n TRP 31 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 1nwt h SER 32 N 1.80 0.00 0.18 -0.67 4.64 -1.78 -2.97 113.55 114.75 1nwt h SER 32 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1nwt h SER 32 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nwt h SER 32 CO 0.00 0.00 -0.16 0.06 -0.87 0.00 0.00 176.83 175.86 1nwt h GLN 33 N 0.00 0.00 -0.05 4.77 3.07 -1.68 -2.04 115.11 119.18 1nwt h GLN 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1nwt h GLN 33 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1nwt h GLN 33 CO 0.00 0.16 0.00 0.66 0.09 0.00 0.00 178.83 179.74 1nwt n TYR 34 N -4.27 0.07 -2.60 0.06 4.01 -1.12 -4.41 117.16 108.89 1nwt n TYR 34 Ca -0.02 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 1nwt n TYR 34 Cb 0.23 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1nwt n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nwt s ARG 35 N -1.93 4.66 0.51 -0.72 0.52 -1.05 -4.94 118.95 116.00 1nwt s ARG 35 Ca 0.31 1.62 -0.19 0.00 -0.52 0.00 0.00 55.73 56.95 1nwt s ARG 35 Cb 0.15 -3.30 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 1nwt s ARG 35 CO 0.25 0.19 0.40 0.39 0.02 0.00 0.00 175.30 176.55 1nwt n GLU 36 N 2.26 0.43 0.00 3.54 1.02 -1.26 -1.34 120.64 125.29 1nwt n GLU 36 Ca 0.02 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1nwt n GLU 36 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1nwt n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nwt n GLY 37 N 1.93 1.42 0.00 0.62 0.00 -1.26 0.16 105.19 108.05 1nwt n GLY 37 Ca 0.11 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1nwt n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nwt n ASP 38 N 1.00 0.00 0.15 1.61 8.00 -1.26 -2.03 116.55 124.02 1nwt n ASP 38 Ca 0.00 0.29 0.02 0.00 0.71 0.00 0.00 54.79 55.81 1nwt n ASP 38 Cb 0.00 -0.36 0.17 0.00 -0.02 0.00 0.00 41.12 40.91 1nwt n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1nwt h GLY 39 N 1.41 0.00 -4.83 0.44 0.00 -0.47 -3.45 103.07 96.18 1nwt h GLY 39 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1nwt h GLY 39 CO 0.00 0.00 1.02 -0.45 0.00 0.00 0.00 176.54 177.11 1nwt s SER 40 N -6.55 6.48 -0.08 0.19 0.15 -0.45 -4.61 113.70 108.83 1nwt s SER 40 Ca 0.01 2.70 -0.00 0.00 0.70 0.00 0.00 55.95 59.36 1nwt s SER 40 Cb 0.10 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1nwt s SER 40 CO 0.73 -0.94 -0.05 0.00 1.20 0.00 0.00 173.24 174.18 1nwt s PHE 42 N 1.52 2.77 0.46 0.00 0.40 -1.26 -3.12 117.98 118.76 1nwt s PHE 42 Ca -0.00 -0.17 0.27 0.00 -0.60 0.00 0.00 56.93 56.43 1nwt s PHE 42 Cb -0.13 -1.35 1.32 0.00 0.51 0.00 0.00 43.02 43.37 1nwt s PHE 42 CO -0.04 0.52 1.77 -1.35 0.70 0.00 0.00 175.22 176.82 1nwt h PRO 43 N 2.77 0.20 0.00 0.24 0.11 -1.89 0.95 132.00 134.38 1nwt h PRO 43 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nwt h PRO 43 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nwt h PRO 43 CO 0.57 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1nwt n ASP 44 N -4.44 0.00 -0.54 -2.05 5.75 -1.26 -1.78 116.55 112.22 1nwt n ASP 44 Ca 0.26 0.02 0.13 0.00 -0.01 0.00 0.00 54.79 55.19 1nwt n ASP 44 Cb 1.08 -0.28 0.36 0.00 -1.03 0.00 0.00 41.12 41.24 1nwt n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nwt n ALA 45 N -1.28 2.73 -2.38 2.12 0.00 0.33 -4.91 120.51 117.12 1nwt n ALA 45 Ca 0.09 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 1nwt n ALA 45 Cb 0.15 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 1nwt n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nwt s LEU 46 N -2.13 4.46 -0.29 0.00 1.43 -0.74 -5.01 118.68 116.40 1nwt s LEU 46 Ca 0.32 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.42 1nwt s LEU 46 Cb 0.20 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1nwt s LEU 46 CO 0.38 0.12 1.43 -0.62 0.23 0.00 0.00 176.35 177.89 1nwt s ASP 47 N -0.42 6.52 0.53 2.29 -1.08 -1.26 -4.89 116.67 118.36 1nwt s ASP 47 Ca 0.33 1.30 0.36 0.00 -0.52 0.00 0.00 52.55 54.01 1nwt s ASP 47 Cb -0.19 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.53 1nwt s ASP 47 CO 0.20 -1.19 2.08 0.08 0.52 0.00 0.00 175.17 176.86 1nwt h ARG 48 N 10.00 0.00 -0.01 4.34 0.11 -1.96 -2.58 114.38 124.29 1nwt h ARG 48 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1nwt h ARG 48 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1nwt h ARG 48 CO 1.03 0.00 -0.56 1.19 0.10 0.00 0.00 179.97 181.73 1nwt n PHE 49 N -2.84 0.00 0.21 4.08 3.72 -1.26 -4.62 117.46 116.75 1nwt n PHE 49 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1nwt n PHE 49 Cb 0.13 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.59 1nwt n PHE 49 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nwt h LEU 50 N 1.55 -0.43-10.13 4.37 5.85 -1.87 -3.46 115.31 111.19 1nwt h LEU 50 Ca 0.00 -0.08 -0.52 0.00 0.84 0.00 0.00 57.88 58.13 1nwt h LEU 50 Cb 0.61 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1nwt h LEU 50 CO 0.00 -0.18 -0.39 0.00 -0.34 0.00 0.00 178.44 177.52 1nwt n THR 52 N -1.50 1.45 -3.92 0.00 -2.24 -0.85 -4.86 114.28 102.36 1nwt n THR 52 Ca 0.02 -0.83 -0.18 0.00 -2.27 0.00 0.00 64.05 60.79 1nwt n THR 52 Cb 0.63 -0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 68.05 1nwt n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nwt s HIS 53 N -2.51 0.39 -0.21 4.78 3.76 -1.13 -1.03 115.29 119.34 1nwt s HIS 53 Ca -0.10 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1nwt s HIS 53 Cb 0.07 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 33.28 1nwt s HIS 53 CO 0.82 -0.17 -0.11 0.42 -0.85 0.00 0.00 174.74 174.85 1nwt s ILE 54 N 1.20 2.65 -0.19 0.60 1.01 -0.55 0.45 121.20 126.38 1nwt s ILE 54 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1nwt s ILE 54 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1nwt s ILE 54 CO -0.02 0.38 0.08 -0.63 0.00 0.00 0.00 174.94 174.75 1nwt s ILE 55 N 1.34 4.93 -0.09 2.92 1.01 0.16 -2.39 121.20 129.07 1nwt s ILE 55 Ca 0.03 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.47 1nwt s ILE 55 Cb -0.15 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1nwt s ILE 55 CO -0.08 0.46 0.69 -0.47 0.00 0.00 0.00 174.94 175.54 1nwt s TYR 56 N 0.37 3.54 -0.08 3.97 5.04 0.23 -0.90 117.35 129.51 1nwt s TYR 56 Ca 0.04 1.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.90 1nwt s TYR 56 Cb -0.12 -2.81 0.01 0.00 0.35 0.00 0.00 41.96 39.39 1nwt s TYR 56 CO -0.00 0.04 -0.15 -1.12 -1.34 0.00 0.00 175.55 172.98 1nwt s SER 57 N 0.85 2.20 0.22 4.32 0.01 0.06 -0.43 113.70 120.94 1nwt s SER 57 Ca 0.36 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.26 1nwt s SER 57 Cb -0.17 -1.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 1nwt s SER 57 CO 0.17 0.05 0.04 -0.36 0.41 0.00 0.00 173.24 173.54 1nwt s PHE 58 N 0.73 1.45 0.19 2.43 0.08 -1.26 -0.29 117.98 121.30 1nwt s PHE 58 Ca -0.13 -1.06 -0.00 0.00 0.12 0.00 0.00 56.93 55.87 1nwt s PHE 58 Cb -0.16 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1nwt s PHE 58 CO 0.03 -0.21 0.37 0.00 -0.10 0.00 0.00 175.22 175.30 1nwt s ALA 59 N -3.63 3.86 0.59 5.36 0.00 0.12 -4.55 121.76 123.51 1nwt s ALA 59 Ca 0.31 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.49 1nwt s ALA 59 Cb 0.07 -1.95 0.09 0.00 0.00 0.00 0.00 23.12 21.32 1nwt s ALA 59 CO 0.09 0.46 0.73 -1.71 0.00 0.00 0.00 175.76 175.34 1nwt n ASN 60 N -0.62 2.29 -3.58 0.00 5.15 0.47 -3.71 115.26 115.27 1nwt n ASN 60 Ca -0.05 -2.65 -0.27 0.00 -0.60 0.00 0.00 54.58 51.01 1nwt n ASN 60 Cb 0.54 -0.35 -0.16 0.00 -0.53 0.00 0.00 39.78 39.28 1nwt n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1nwt s ILE 61 N -2.70 -0.07 -0.09 -1.44 1.01 -1.26 -1.30 121.20 115.35 1nwt s ILE 61 Ca 0.56 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1nwt s ILE 61 Cb -0.04 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 1nwt s ILE 61 CO 0.35 -0.48 -0.24 -0.44 0.00 0.00 0.00 174.94 174.13 1nwt s SER 62 N 2.12 3.09 -1.52 3.58 0.01 -0.20 -4.67 113.70 116.11 1nwt s SER 62 Ca 0.05 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 1nwt s SER 62 Cb -0.16 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.84 1nwt s SER 62 CO -0.21 0.18 0.65 0.59 0.41 0.00 0.00 173.24 174.87 1nwt n ASN 63 N 3.35 -5.93 -1.29 2.44 3.02 -1.26 -0.99 115.26 114.60 1nwt n ASN 63 Ca -0.19 -0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 53.88 1nwt n ASN 63 Cb 0.53 -4.78 -0.06 0.00 -0.61 0.00 0.00 39.78 34.85 1nwt n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nwt n ASP 64 N -2.55 -4.93 -4.36 6.41 8.00 -1.26 -4.93 116.55 112.92 1nwt n ASP 64 Ca -0.09 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 1nwt n ASP 64 Cb 0.61 -3.87 -0.15 0.00 -0.02 0.00 0.00 41.12 37.69 1nwt n ASP 64 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nwt s HIS 65 N -2.62 2.42 0.30 1.24 3.76 -0.17 -1.39 115.29 118.83 1nwt s HIS 65 Ca 0.00 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1nwt s HIS 65 Cb 0.00 -1.51 -0.10 0.00 1.11 0.00 0.00 32.58 32.08 1nwt s HIS 65 CO 0.00 0.05 1.21 -1.50 -0.85 0.00 0.00 174.74 173.64 1nwt s ILE 66 N -0.68 3.13 0.21 0.60 2.07 -1.26 -1.03 121.20 124.23 1nwt s ILE 66 Ca 0.11 1.12 -0.14 0.00 -1.41 0.00 0.00 60.65 60.32 1nwt s ILE 66 Cb -0.10 -3.71 0.01 0.00 0.13 0.00 0.00 42.46 38.79 1nwt s ILE 66 CO 0.00 0.26 0.47 -0.62 -1.91 0.00 0.00 174.94 173.14 1nwt s ASP 67 N -0.60 -0.14 0.93 4.50 2.15 -0.42 -4.86 116.67 118.23 1nwt s ASP 67 Ca 0.47 -0.71 -0.11 0.00 0.43 0.00 0.00 52.55 52.64 1nwt s ASP 67 Cb -0.36 0.56 0.15 0.00 -0.30 0.00 0.00 42.92 42.97 1nwt s ASP 67 CO 0.46 -1.06 1.10 0.42 -0.17 0.00 0.00 175.17 175.92 1nwt s THR 68 N -3.94 2.40 0.02 1.71 -4.23 -1.26 -0.39 115.64 109.94 1nwt s THR 68 Ca 0.15 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1nwt s THR 68 Cb -0.00 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 1nwt s THR 68 CO 0.02 -0.17 -0.05 1.87 -0.54 0.00 0.00 174.62 175.75 1nwt n TRP 69 N -4.17 0.00 -2.79 3.99 -0.00 -1.26 -4.25 117.44 108.96 1nwt n TRP 69 Ca 0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.27 1nwt n TRP 69 Cb 0.53 -0.10 -0.05 0.00 -0.00 0.00 0.00 31.31 31.70 1nwt n TRP 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1nwt s GLU 70 N -2.11 3.96 0.40 5.87 2.56 -1.26 -4.97 118.70 123.15 1nwt s GLU 70 Ca -0.05 0.77 0.07 0.00 0.00 0.00 0.00 54.97 55.76 1nwt s GLU 70 Cb 0.01 -2.29 0.84 0.00 2.00 0.00 0.00 34.13 34.69 1nwt s GLU 70 CO 0.06 -0.06 2.04 0.11 -0.56 0.00 0.00 175.26 176.85 1nwt h TRP 71 N 1.51 0.50 -0.43 5.30 5.08 -2.00 -2.78 115.95 123.13 1nwt h TRP 71 Ca -0.48 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.45 1nwt h TRP 71 Cb 1.18 -0.16 -0.03 0.00 -3.00 0.00 0.00 29.16 27.15 1nwt h TRP 71 CO 0.62 0.34 0.04 0.27 -1.28 0.00 0.00 178.44 178.43 1nwt n ASN 72 N -4.45 4.41 -0.13 0.11 6.94 -1.26 -4.72 115.26 116.16 1nwt n ASN 72 Ca 0.03 -3.10 -0.04 0.00 -0.02 0.00 0.00 54.58 51.45 1nwt n ASN 72 Cb 0.09 -0.62 0.03 0.00 -2.36 0.00 0.00 39.78 36.92 1nwt n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nwt h ASP 73 N 2.44 -0.29 -0.98 0.53 3.32 -1.89 -1.32 116.42 118.23 1nwt h ASP 73 Ca 0.06 0.12 0.19 0.00 0.02 0.00 0.00 57.03 57.42 1nwt h ASP 73 Cb 1.75 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 41.42 1nwt h ASP 73 CO 0.39 -0.10 0.57 0.58 -1.72 0.00 0.00 179.24 178.97 1nwt h VAL 74 N 0.06 0.68 -0.20 -1.35 2.07 -1.85 0.81 116.25 116.47 1nwt h VAL 74 Ca 0.21 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1nwt h VAL 74 Cb 0.32 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1nwt h VAL 74 CO -0.40 0.13 -0.14 0.74 0.02 0.00 0.00 177.57 177.92 1nwt h THR 75 N 0.71 1.32 -0.13 2.57 2.02 -1.64 -2.64 112.91 115.11 1nwt h THR 75 Ca 0.57 -1.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 1nwt h THR 75 Cb 0.90 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1nwt h THR 75 CO -0.40 0.38 -0.33 -0.07 0.37 0.00 0.00 175.52 175.47 1nwt h LEU 76 N 0.14 0.26 0.38 2.58 3.38 -0.17 0.16 115.31 122.04 1nwt h LEU 76 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nwt h LEU 76 Cb 0.66 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1nwt h LEU 76 CO 0.04 0.59 -0.33 1.88 0.09 0.00 0.00 178.44 180.71 1nwt h TYR 77 N 0.23 -0.88 -0.85 1.13 0.05 0.64 0.68 116.97 117.97 1nwt h TYR 77 Ca 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1nwt h TYR 77 Cb 0.70 0.33 -0.04 0.00 1.01 0.00 0.00 36.73 38.74 1nwt h TYR 77 CO 0.01 -0.47 0.52 0.78 -1.05 0.00 0.00 178.16 177.95 1nwt h GLY 78 N -0.72 1.22 1.81 3.88 0.00 -1.27 0.96 103.07 108.96 1nwt h GLY 78 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1nwt h GLY 78 CO -0.03 0.48 0.05 1.98 0.00 0.00 0.00 176.54 179.02 1nwt h MET 79 N 1.16 0.24 0.03 4.80 -1.53 -0.42 -0.93 114.93 118.29 1nwt h MET 79 Ca 0.31 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.49 1nwt h MET 79 Cb -0.07 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 30.93 1nwt h MET 79 CO -0.06 0.22 -0.23 1.25 0.14 0.00 0.00 176.91 178.23 1nwt h LEU 80 N 0.25 0.10 -0.07 3.39 5.85 0.23 -3.33 115.31 121.74 1nwt h LEU 80 Ca 0.06 -0.97 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1nwt h LEU 80 Cb 0.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1nwt h LEU 80 CO -0.00 1.11 0.00 0.59 -0.34 0.00 0.00 178.44 179.79 1nwt n ASN 81 N -4.50 0.05 0.19 1.25 3.02 0.22 -1.65 115.26 113.85 1nwt n ASN 81 Ca -0.12 0.51 0.07 0.00 -0.03 0.00 0.00 54.58 55.01 1nwt n ASN 81 Cb 0.56 -0.52 0.30 0.00 -0.61 0.00 0.00 39.78 39.51 1nwt n ASN 81 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1nwt h THR 82 N 0.00 0.73 0.00 3.41 2.02 -1.27 -2.65 112.91 115.14 1nwt h THR 82 Ca 0.00 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1nwt h THR 82 Cb 0.20 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1nwt h THR 82 CO 0.00 0.33 0.00 -0.07 0.37 0.00 0.00 175.52 176.15 1nwt h LEU 83 N 0.00 0.00 -0.04 2.58 3.38 -1.48 -1.07 115.31 118.67 1nwt h LEU 83 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nwt h LEU 83 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nwt h LEU 83 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86 1nwt n LYS 84 N -2.93 0.14 0.38 1.13 5.02 -1.00 -3.63 118.16 117.27 1nwt n LYS 84 Ca -0.02 0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 1nwt n LYS 84 Cb 0.10 -1.67 -0.09 0.00 -0.02 0.00 0.00 35.03 33.35 1nwt n LYS 84 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1nwt h ASN 85 N 0.00 -0.79 0.47 4.39 2.35 -1.37 -2.98 115.58 117.65 1nwt h ASN 85 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1nwt h ASN 85 Cb 0.60 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1nwt h ASN 85 CO 0.00 -0.55 -0.09 0.54 -1.65 0.00 0.00 177.43 175.68 1nwt n ARG 86 N -5.48 0.53 -3.48 0.81 1.74 -1.26 -4.37 116.66 105.15 1nwt n ARG 86 Ca -0.14 -0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.53 1nwt n ARG 86 Cb 0.38 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 1nwt n ARG 86 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nwt s ASN 87 N -2.56 2.18 0.56 0.55 3.84 -1.14 -5.00 114.94 113.37 1nwt s ASN 87 Ca 0.27 -2.99 0.27 0.00 0.21 0.00 0.00 52.86 50.62 1nwt s ASN 87 Cb 0.20 -0.60 1.49 0.00 -0.55 0.00 0.00 41.25 41.79 1nwt s ASN 87 CO 0.49 -0.19 2.01 -0.65 -2.79 0.00 0.00 177.10 175.96 1nwt h PRO 88 N 5.90 0.00 0.00 0.43 0.11 -1.73 -2.42 132.00 134.29 1nwt h PRO 88 Ca 0.20 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.18 1nwt h PRO 88 Cb 0.90 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1nwt h PRO 88 CO 0.40 0.00 -0.63 -0.91 -0.21 0.00 0.00 178.00 176.65 1nwt h ASN 89 N 0.00 0.00 -2.14 -2.05 4.21 -1.94 -3.45 115.58 110.21 1nwt h ASN 89 Ca 0.19 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 57.10 1nwt h ASN 89 Cb 0.88 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.13 1nwt h ASN 89 CO -0.00 0.63 0.88 -0.11 -1.29 0.00 0.00 177.43 177.53 1nwt n LEU 90 N -3.55 3.10 -4.74 1.61 7.94 -0.91 -4.96 117.00 115.49 1nwt n LEU 90 Ca -0.00 1.05 -0.32 0.00 -1.11 0.00 0.00 56.01 55.63 1nwt n LEU 90 Cb 0.68 -1.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.17 1nwt n LEU 90 CO 0.42 -0.26 -0.28 -0.54 -1.11 0.00 0.00 177.39 175.61 1nwt s LYS 91 N 2.00 2.89 -0.00 1.96 3.01 -0.20 -4.91 119.74 124.47 1nwt s LYS 91 Ca 0.84 -0.61 0.05 0.00 -1.01 0.00 0.00 55.97 55.25 1nwt s LYS 91 Cb -0.71 -2.74 -0.01 0.00 -1.01 0.00 0.00 37.83 33.36 1nwt s LYS 91 CO 0.44 0.61 -0.17 0.99 0.51 0.00 0.00 175.35 177.72 1nwt s THR 92 N -1.22 1.36 0.06 2.17 2.01 -1.26 -1.49 115.64 117.27 1nwt s THR 92 Ca 0.24 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1nwt s THR 92 Cb -0.12 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1nwt s THR 92 CO 0.15 0.34 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.58 1nwt s LEU 93 N -0.52 2.32 -0.23 4.42 1.02 -1.01 0.65 118.68 125.34 1nwt s LEU 93 Ca 0.06 -0.67 -0.05 0.00 0.02 0.00 0.00 54.13 53.49 1nwt s LEU 93 Cb -0.07 -0.19 -0.01 0.00 0.02 0.00 0.00 46.19 45.94 1nwt s LEU 93 CO -0.00 -0.25 -0.01 -0.22 0.02 0.00 0.00 176.35 175.89 1nwt s LEU 94 N -1.96 3.09 -0.03 1.79 2.96 -0.12 -0.60 118.68 123.81 1nwt s LEU 94 Ca -0.04 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 1nwt s LEU 94 Cb -0.06 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1nwt s LEU 94 CO -0.00 -0.03 0.42 -0.55 -1.32 0.00 0.00 176.35 174.87 1nwt s SER 95 N 1.52 6.77 -0.11 3.68 0.15 0.43 -1.02 113.70 125.13 1nwt s SER 95 Ca 0.06 0.92 0.03 0.00 0.70 0.00 0.00 55.95 57.66 1nwt s SER 95 Cb -0.15 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1nwt s SER 95 CO -0.01 0.24 -0.21 0.54 1.20 0.00 0.00 173.24 175.00 1nwt s VAL 96 N -0.62 2.32 0.00 4.45 0.11 0.35 0.12 120.40 127.13 1nwt s VAL 96 Ca 0.24 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1nwt s VAL 96 Cb -0.16 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1nwt s VAL 96 CO 0.12 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1nwt n GLY 97 N 3.51 0.25 0.00 6.54 0.00 -1.24 -0.92 105.19 113.33 1nwt n GLY 97 Ca -0.19 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1nwt n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwt n GLY 98 N 0.00 0.78 0.13 -0.02 0.00 0.84 -4.28 105.19 102.62 1nwt n GLY 98 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 1nwt n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1nwt h TRP 99 N 0.00 0.33 0.00 1.61 2.91 -1.91 -2.83 115.95 116.06 1nwt h TRP 99 Ca 0.00 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1nwt h TRP 99 Cb 0.00 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 1nwt h TRP 99 CO 0.00 0.35 0.00 0.09 -1.03 0.00 0.00 178.44 177.85 1nwt n ASN 100 N -4.82 0.00 0.05 2.65 3.02 -1.26 -3.37 115.26 111.53 1nwt n ASN 100 Ca -0.03 -1.18 -0.20 0.00 -0.03 0.00 0.00 54.58 53.14 1nwt n ASN 100 Cb 0.12 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 1nwt n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1nwt h PHE 101 N 0.00 0.61 -0.42 3.10 3.57 -1.68 -3.50 116.94 118.62 1nwt h PHE 101 Ca 0.00 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1nwt h PHE 101 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1nwt h PHE 101 CO 0.00 1.31 0.00 0.41 -2.23 0.00 0.00 178.31 177.80 1nwt n GLY 102 N 1.55 -0.84 0.33 2.40 0.00 -1.22 -4.72 105.19 102.70 1nwt n GLY 102 Ca -0.13 -1.02 0.17 0.00 0.00 0.00 0.00 46.02 45.03 1nwt n GLY 102 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nwt h SER 103 N 0.00 0.00 -0.14 1.61 4.64 -1.89 -2.96 113.55 114.81 1nwt h SER 103 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1nwt h SER 103 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1nwt h SER 103 CO 0.00 0.00 -0.23 1.56 -0.87 0.00 0.00 176.83 177.29 1nwt h GLN 104 N 0.00 -0.27 -0.31 4.77 1.08 -1.93 0.14 115.11 118.59 1nwt h GLN 104 Ca 0.09 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1nwt h GLN 104 Cb 0.49 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1nwt h GLN 104 CO -0.00 -0.18 0.16 0.00 -0.95 0.00 0.00 178.83 177.85 1nwt h ARG 105 N -0.28 0.44 -0.74 1.46 3.08 -1.80 -2.86 114.38 113.67 1nwt h ARG 105 Ca 0.10 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1nwt h ARG 105 Cb 0.44 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 1nwt h ARG 105 CO -0.31 0.40 0.48 0.74 -1.07 0.00 0.00 179.97 180.21 1nwt h PHE 106 N 0.37 0.91 0.11 3.04 0.04 -1.58 -3.05 116.94 116.78 1nwt h PHE 106 Ca 0.11 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.91 1nwt h PHE 106 Cb 0.10 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1nwt h PHE 106 CO -0.02 0.55 -0.16 1.03 -0.60 0.00 0.00 178.31 179.10 1nwt h SER 107 N 0.97 -0.45 -0.36 2.17 0.87 -0.79 -1.61 113.55 114.35 1nwt h SER 107 Ca 0.28 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.98 1nwt h SER 107 Cb -0.05 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1nwt h SER 107 CO -0.08 -0.24 0.25 0.11 -0.53 0.00 0.00 176.83 176.34 1nwt h LYS 108 N -0.33 0.09 0.21 2.24 1.57 -1.42 0.30 116.57 119.23 1nwt h LYS 108 Ca 0.02 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 1nwt h LYS 108 Cb 0.34 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.66 1nwt h LYS 108 CO -0.08 0.06 -1.27 0.82 -0.57 0.00 0.00 179.45 178.41 1nwt h ILE 109 N 0.09 1.34 0.00 1.86 2.04 -1.37 -2.91 117.51 118.56 1nwt h ILE 109 Ca 0.17 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1nwt h ILE 109 Cb 0.55 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1nwt h ILE 109 CO -0.02 0.78 -0.27 0.00 0.00 0.00 0.00 178.15 178.64 1nwt h ALA 110 N 0.12 0.84 0.13 1.87 0.00 -0.97 -1.99 119.26 119.26 1nwt h ALA 110 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1nwt h ALA 110 Cb 1.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.78 1nwt h ALA 110 CO 0.23 0.00 -1.05 1.03 0.00 0.00 0.00 179.25 179.45 1nwt h SER 111 N 0.00 0.42 -3.08 0.00 0.87 -0.52 -3.45 113.55 107.78 1nwt h SER 111 Ca 0.00 -0.90 -0.57 0.00 -1.23 0.00 0.00 61.79 59.09 1nwt h SER 111 Cb 0.87 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.64 1nwt h SER 111 CO 0.00 1.48 0.76 0.21 -0.53 0.00 0.00 176.83 178.75 1nwt s ASN 112 N -6.98 7.09 0.43 6.23 3.84 -1.10 -4.94 114.94 119.52 1nwt s ASN 112 Ca -0.17 1.51 0.14 0.00 0.21 0.00 0.00 52.86 54.56 1nwt s ASN 112 Cb 0.02 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 39.21 1nwt s ASN 112 CO 0.80 -0.63 1.96 0.74 -2.79 0.00 0.00 177.10 177.17 1nwt h THR 113 N 5.35 0.87 -0.03 -5.21 2.02 -1.86 -1.50 112.91 112.55 1nwt h THR 113 Ca -0.24 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1nwt h THR 113 Cb 1.10 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1nwt h THR 113 CO 0.94 0.08 -0.27 1.56 0.37 0.00 0.00 175.52 178.20 1nwt h GLN 114 N 0.42 0.22 -0.61 6.66 7.50 -1.92 -3.13 115.11 124.26 1nwt h GLN 114 Ca 0.31 -0.21 -0.04 0.00 0.50 0.00 0.00 58.65 59.21 1nwt h GLN 114 Cb 0.63 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.18 1nwt h GLN 114 CO -0.09 0.90 0.24 0.77 -1.50 0.00 0.00 178.83 179.14 1nwt h SER 115 N -0.37 0.81 -0.61 1.46 0.02 -1.72 -1.56 113.55 111.58 1nwt h SER 115 Ca -0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1nwt h SER 115 Cb 0.97 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1nwt h SER 115 CO 0.05 0.74 0.40 -0.09 -1.14 0.00 0.00 176.83 176.79 1nwt h ARG 116 N 0.88 0.81 0.06 3.45 2.43 -0.48 0.77 114.38 122.30 1nwt h ARG 116 Ca 0.21 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1nwt h ARG 116 Cb 0.18 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nwt h ARG 116 CO -0.02 0.54 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.86 1nwt h ARG 117 N 0.83 -0.08 -0.16 0.20 9.65 -1.39 -0.48 114.38 122.96 1nwt h ARG 117 Ca 0.22 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.16 1nwt h ARG 117 Cb -0.09 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 1nwt h ARG 117 CO -0.05 0.12 -0.26 1.15 2.80 0.00 0.00 179.97 183.73 1nwt h THR 118 N -0.27 0.37 0.23 0.20 2.02 -1.01 0.35 112.91 114.80 1nwt h THR 118 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1nwt h THR 118 Cb 0.23 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1nwt h THR 118 CO 0.01 0.00 -0.42 0.15 0.37 0.00 0.00 175.52 175.64 1nwt h PHE 119 N -0.32 -1.16 -0.44 3.16 3.57 0.39 -1.39 116.94 120.75 1nwt h PHE 119 Ca 0.11 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1nwt h PHE 119 Cb 0.48 0.48 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 1nwt h PHE 119 CO -0.37 -0.54 0.09 0.82 -2.23 0.00 0.00 178.31 176.08 1nwt h ILE 120 N -0.72 0.76 -0.60 1.41 2.04 -0.80 -2.02 117.51 117.57 1nwt h ILE 120 Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1nwt h ILE 120 Cb 0.71 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1nwt h ILE 120 CO -0.18 0.04 0.37 0.50 0.00 0.00 0.00 178.15 178.89 1nwt h LYS 121 N 0.22 0.80 0.00 2.37 3.64 -0.70 -2.58 116.57 120.32 1nwt h LYS 121 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1nwt h LYS 121 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1nwt h LYS 121 CO -0.29 0.55 0.00 0.66 -2.27 0.00 0.00 179.45 178.10 1nwt h SER 122 N 0.82 0.00 0.26 4.20 4.64 -0.52 -3.37 113.55 119.58 1nwt h SER 122 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1nwt h SER 122 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1nwt h SER 122 CO -0.04 0.00 -0.12 0.58 -0.87 0.00 0.00 176.83 176.37 1nwt h VAL 123 N 0.00 0.76 -0.24 0.95 2.07 -1.17 -3.06 116.25 115.57 1nwt h VAL 123 Ca 0.00 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1nwt h VAL 123 Cb 0.67 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1nwt h VAL 123 CO 0.00 0.14 -0.20 -0.65 0.02 0.00 0.00 177.57 176.88 1nwt h PRO 124 N -0.76 -0.20 -0.28 1.57 0.11 -1.72 -0.80 132.00 129.92 1nwt h PRO 124 Ca -0.04 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.14 1nwt h PRO 124 Cb 0.50 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 1nwt h PRO 124 CO 0.06 -0.13 -0.04 -1.35 -0.21 0.00 0.00 178.00 176.33 1nwt h PRO 125 N -0.21 0.04 -0.90 1.05 0.11 -1.77 -0.68 132.00 129.64 1nwt h PRO 125 Ca 0.14 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.33 1nwt h PRO 125 Cb 0.41 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 1nwt h PRO 125 CO -0.36 0.03 0.55 0.35 -0.21 0.00 0.00 178.00 178.36 1nwt h PHE 126 N 0.04 1.01 -0.24 0.65 3.57 -1.35 0.27 116.94 120.90 1nwt h PHE 126 Ca 0.14 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1nwt h PHE 126 Cb 0.20 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1nwt h PHE 126 CO -0.24 0.45 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.82 1nwt h LEU 127 N 0.94 0.77 -0.44 0.59 3.38 -0.52 -2.49 115.31 117.55 1nwt h LEU 127 Ca 0.42 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1nwt h LEU 127 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1nwt h LEU 127 CO -0.22 1.15 -0.09 0.03 0.09 0.00 0.00 178.44 179.39 1nwt h ARG 128 N 0.41 0.83 -0.54 1.13 2.47 -0.70 0.10 114.38 118.09 1nwt h ARG 128 Ca 0.02 -0.31 0.03 0.00 -1.26 0.00 0.00 59.98 58.45 1nwt h ARG 128 Cb 1.00 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.24 1nwt h ARG 128 CO 0.09 0.94 0.36 1.15 0.56 0.00 0.00 179.97 183.07 1nwt h THR 129 N 0.66 1.08 -0.48 2.04 2.02 -0.48 -2.93 112.91 114.83 1nwt h THR 129 Ca 0.11 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1nwt h THR 129 Cb 0.62 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1nwt h THR 129 CO 0.04 0.12 0.00 1.41 0.37 0.00 0.00 175.52 177.46 1nwt n HIS 130 N -4.47 0.63 -1.75 3.16 8.25 -0.94 -4.99 115.22 115.11 1nwt n HIS 130 Ca 0.06 -0.45 -0.03 0.00 -0.26 0.00 0.00 57.72 57.04 1nwt n HIS 130 Cb 0.12 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 1nwt n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nwt n GLY 131 N 1.04 0.36 3.88 -1.41 0.00 -0.49 -4.67 105.19 103.90 1nwt n GLY 131 Ca 0.17 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1nwt n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwt s PHE 132 N -2.14 3.50 -0.84 1.61 0.08 0.24 -4.91 117.98 115.52 1nwt s PHE 132 Ca 0.00 0.70 0.24 0.00 0.12 0.00 0.00 56.93 57.98 1nwt s PHE 132 Cb 0.00 -2.11 0.25 0.00 -0.57 0.00 0.00 43.02 40.59 1nwt s PHE 132 CO 0.00 0.42 1.22 -0.25 -0.10 0.00 0.00 175.22 176.51 1nwt n ASP 133 N 0.29 0.62 -3.85 1.36 8.00 0.21 -4.51 116.55 118.67 1nwt n ASP 133 Ca -0.03 -0.29 0.04 0.00 0.71 0.00 0.00 54.79 55.22 1nwt n ASP 133 Cb 0.52 0.50 0.01 0.00 -0.02 0.00 0.00 41.12 42.13 1nwt n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nwt s GLY 134 N -3.28 -0.24 -0.00 0.44 0.00 -0.95 -0.69 107.32 102.59 1nwt s GLY 134 Ca 0.08 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.12 1nwt s GLY 134 CO 0.76 4.95 -0.17 -2.27 0.00 0.00 0.00 173.10 176.37 1nwt s LEU 135 N -3.69 2.63 -0.18 0.66 2.96 0.43 -0.94 118.68 120.54 1nwt s LEU 135 Ca 0.27 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1nwt s LEU 135 Cb 0.01 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1nwt s LEU 135 CO -0.03 0.30 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.49 1nwt s ASP 136 N -1.06 3.20 -0.29 3.68 2.15 -0.19 -1.45 116.67 122.71 1nwt s ASP 136 Ca 0.13 -0.63 -0.20 0.00 0.43 0.00 0.00 52.55 52.27 1nwt s ASP 136 Cb -0.11 -1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 41.01 1nwt s ASP 136 CO 0.03 0.01 0.64 -0.76 -0.17 0.00 0.00 175.17 174.91 1nwt s LEU 137 N 1.26 4.12 -0.59 -1.34 1.43 0.03 -0.50 118.68 123.09 1nwt s LEU 137 Ca 0.04 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 1nwt s LEU 137 Cb -0.13 -2.84 0.28 0.00 0.03 0.00 0.00 46.19 43.53 1nwt s LEU 137 CO -0.12 -0.46 0.80 0.00 0.23 0.00 0.00 176.35 176.80 1nwt n ALA 138 N 5.85 4.06 -2.79 4.21 0.00 -0.10 -1.32 120.51 130.43 1nwt n ALA 138 Ca -0.01 -4.60 -0.43 0.00 0.00 0.00 0.00 53.44 48.40 1nwt n ALA 138 Cb 0.49 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1nwt n ALA 138 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nwt s TRP 139 N -2.70 2.90 -0.50 0.00 -0.11 -1.26 -0.12 118.94 117.15 1nwt s TRP 139 Ca 0.42 -0.44 -0.05 0.00 1.22 0.00 0.00 56.10 57.26 1nwt s TRP 139 Cb 0.20 -3.90 0.13 0.00 -1.50 0.00 0.00 33.47 28.40 1nwt s TRP 139 CO -0.06 -1.28 0.33 -0.51 -4.62 0.00 0.00 176.95 170.81 1nwt s LEU 140 N 3.30 5.42 0.07 5.86 1.43 -1.26 -3.97 118.68 129.52 1nwt s LEU 140 Ca 0.20 -2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 50.94 1nwt s LEU 140 Cb -0.17 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1nwt s LEU 140 CO 0.13 -0.53 0.22 -0.31 0.23 0.00 0.00 176.35 176.09 1nwt s TYR 141 N 0.82 0.05 0.28 0.29 2.02 -1.26 -3.88 117.35 115.68 1nwt s TYR 141 Ca 0.10 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 1nwt s TYR 141 Cb -0.22 -0.01 -0.11 0.00 -0.40 0.00 0.00 41.96 41.22 1nwt s TYR 141 CO -0.03 -0.50 1.51 -2.14 -1.57 0.00 0.00 175.55 172.81 1nwt s PRO 142 N -3.18 4.19 0.54 -1.71 0.02 -1.25 -4.84 135.00 128.77 1nwt s PRO 142 Ca -0.00 2.45 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 1nwt s PRO 142 Cb 0.02 -3.06 0.13 0.00 0.02 0.00 0.00 34.50 31.61 1nwt s PRO 142 CO -0.07 -0.52 0.60 0.41 -0.33 0.00 0.00 177.00 177.09 1nwt n GLY 143 N 1.97 -1.93 0.27 0.52 0.00 -1.26 -4.13 105.19 100.63 1nwt n GLY 143 Ca 0.07 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.66 1nwt n GLY 143 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nwt h ARG 144 N 0.00 0.00 0.00 1.61 3.08 -1.93 -1.55 114.38 115.59 1nwt h ARG 144 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1nwt h ARG 144 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1nwt h ARG 144 CO 0.14 0.08 0.00 2.89 -1.07 0.00 0.00 179.97 182.01 1nwt n ARG 145 N -3.30 0.20 0.00 0.04 0.00 -1.26 -3.58 116.66 108.76 1nwt n ARG 145 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1nwt n ARG 145 Cb 0.28 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.24 1nwt n ARG 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nwt n ASP 146 N -1.39 1.11 -0.27 2.89 8.00 -0.62 -4.81 116.55 121.46 1nwt n ASP 146 Ca 0.10 -1.34 0.09 0.00 0.71 0.00 0.00 54.79 54.35 1nwt n ASP 146 Cb 0.28 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.61 1nwt n ASP 146 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nwt h LYS 147 N 0.00 0.23 0.03 -1.24 3.64 -1.53 0.87 116.57 118.57 1nwt h LYS 147 Ca 0.00 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.09 1nwt h LYS 147 Cb 0.34 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1nwt h LYS 147 CO 0.00 0.15 -1.10 1.96 -2.27 0.00 0.00 179.45 178.20 1nwt h GLN 148 N 0.24 0.69 -0.71 1.90 7.50 -1.86 -3.08 115.11 119.79 1nwt h GLN 148 Ca 0.48 -0.78 0.03 0.00 0.50 0.00 0.00 58.65 58.87 1nwt h GLN 148 Cb 0.89 0.23 -0.04 0.00 0.05 0.00 0.00 27.48 28.62 1nwt h GLN 148 CO -0.59 1.35 0.47 0.45 -1.50 0.00 0.00 178.83 179.01 1nwt h HIS 149 N 0.37 0.85 -0.64 2.96 3.86 -1.59 -0.21 115.15 120.75 1nwt h HIS 149 Ca -0.15 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1nwt h HIS 149 Cb 1.75 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.91 1nwt h HIS 149 CO 0.11 0.50 0.17 0.35 0.86 0.00 0.00 177.93 179.92 1nwt h PHE 150 N 0.89 1.03 -0.21 2.45 3.57 -0.88 0.06 116.94 123.84 1nwt h PHE 150 Ca 0.28 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1nwt h PHE 150 Cb 0.01 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1nwt h PHE 150 CO -0.00 0.84 -0.01 1.15 -2.23 0.00 0.00 178.31 178.06 1nwt h THR 151 N 0.95 1.26 -0.38 4.41 2.02 -1.08 -2.33 112.91 117.76 1nwt h THR 151 Ca 0.20 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1nwt h THR 151 Cb 0.32 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1nwt h THR 151 CO -0.00 0.28 0.25 0.74 0.37 0.00 0.00 175.52 177.16 1nwt h THR 152 N 0.14 1.09 -0.03 3.16 2.02 -0.81 0.26 112.91 118.74 1nwt h THR 152 Ca 0.06 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1nwt h THR 152 Cb 0.42 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1nwt h THR 152 CO 0.01 0.09 -0.22 0.25 0.37 0.00 0.00 175.52 176.02 1nwt h LEU 153 N 0.51 -0.66 -0.66 2.58 5.85 -0.93 0.56 115.31 122.56 1nwt h LEU 153 Ca 0.14 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1nwt h LEU 153 Cb -0.05 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1nwt h LEU 153 CO -0.03 -0.29 0.35 0.40 -0.34 0.00 0.00 178.44 178.53 1nwt h ILE 154 N -0.34 1.21 -0.15 4.05 2.04 -1.23 -0.04 117.51 123.04 1nwt h ILE 154 Ca 0.07 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1nwt h ILE 154 Cb 0.43 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1nwt h ILE 154 CO -0.22 0.24 0.10 0.50 0.00 0.00 0.00 178.15 178.76 1nwt h LYS 155 N 0.90 0.20 -0.13 2.37 3.64 -0.47 -2.36 116.57 120.71 1nwt h LYS 155 Ca 0.23 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 1nwt h LYS 155 Cb 0.06 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1nwt h LYS 155 CO -0.03 0.13 -0.65 0.93 -2.27 0.00 0.00 179.45 177.56 1nwt h GLU 156 N 0.21 0.50 -0.92 1.90 5.08 -0.78 -2.49 114.58 118.07 1nwt h GLU 156 Ca 0.06 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1nwt h GLU 156 Cb -0.02 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1nwt h GLU 156 CO -0.01 0.98 0.54 1.98 -1.00 0.00 0.00 179.01 181.50 1nwt h MET 157 N 0.36 1.26 -0.18 2.33 4.05 -0.90 0.08 114.93 121.93 1nwt h MET 157 Ca -0.02 -0.12 -0.15 0.00 -0.28 0.00 0.00 59.70 59.14 1nwt h MET 157 Cb 1.22 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 1nwt h MET 157 CO 0.12 0.89 -0.50 -0.22 0.23 0.00 0.00 176.91 177.43 1nwt h LYS 158 N 1.28 0.49 -0.12 0.39 1.63 -1.40 -1.88 116.57 116.95 1nwt h LYS 158 Ca 0.33 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1nwt h LYS 158 Cb -0.03 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1nwt h LYS 158 CO -0.06 0.88 0.08 0.00 -3.45 0.00 0.00 179.45 176.90 1nwt h ALA 159 N 1.07 0.16 -0.28 5.00 0.00 -0.81 -0.85 119.26 123.54 1nwt h ALA 159 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nwt h ALA 159 Cb 1.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nwt h ALA 159 CO 0.09 -0.35 0.19 1.49 0.00 0.00 0.00 179.25 180.66 1nwt h GLU 160 N 0.16 0.38 -0.83 0.00 4.57 -0.90 -0.91 114.58 117.04 1nwt h GLU 160 Ca 0.05 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1nwt h GLU 160 Cb -0.01 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.43 1nwt h GLU 160 CO -0.01 0.26 0.52 0.74 -1.18 0.00 0.00 179.01 179.33 1nwt h PHE 161 N 0.38 0.96 -0.27 0.92 -1.00 -1.10 0.16 116.94 116.99 1nwt h PHE 161 Ca 0.10 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1nwt h PHE 161 Cb -0.04 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 1nwt h PHE 161 CO -0.06 0.50 0.10 0.82 -1.61 0.00 0.00 178.31 178.06 1nwt h ILE 162 N 0.95 1.18 -0.13 -0.55 2.04 -0.77 -2.74 117.51 117.49 1nwt h ILE 162 Ca 0.36 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1nwt h ILE 162 Cb 0.14 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1nwt h ILE 162 CO -0.16 0.18 0.06 0.50 0.00 0.00 0.00 178.15 178.73 1nwt h LYS 163 N 0.28 0.13 -0.07 2.37 3.64 -0.43 -0.30 116.57 122.19 1nwt h LYS 163 Ca 0.09 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1nwt h LYS 163 Cb 0.19 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1nwt h LYS 163 CO -0.01 0.08 0.12 1.49 -2.27 0.00 0.00 179.45 178.87 1nwt h GLU 164 N 0.13 0.00 -0.01 1.90 4.22 -0.59 -1.61 114.58 118.61 1nwt h GLU 164 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1nwt h GLU 164 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nwt h GLU 164 CO -0.05 0.00 -0.04 0.00 -2.18 0.00 0.00 179.01 176.74 1nwt n ALA 165 N -2.20 2.55 -0.31 2.92 0.00 -0.91 -4.70 120.51 117.87 1nwt n ALA 165 Ca -0.01 -0.57 0.15 0.00 0.00 0.00 0.00 53.44 53.01 1nwt n ALA 165 Cb 0.21 -0.40 0.31 0.00 0.00 0.00 0.00 19.45 19.57 1nwt n ALA 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1nwt h GLN 166 N 2.15 0.15 0.00 0.00 -0.00 -0.03 0.15 115.11 117.54 1nwt h GLN 166 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1nwt h GLN 166 Cb 0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 1nwt h GLN 166 CO 0.00 0.10 0.00 -1.00 -0.00 0.00 0.00 178.83 177.93 1nwt h PRO 167 N 0.16 0.00 0.00 0.06 0.13 -1.84 -3.44 132.00 127.07 1nwt h PRO 167 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.72 1nwt h PRO 167 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nwt h PRO 167 CO -0.71 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.47 1nwt n GLY 168 N -0.86 0.22 3.86 1.56 0.00 0.48 -5.15 105.19 105.30 1nwt n GLY 168 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1nwt n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nwt s LYS 169 N 0.00 2.14 -0.62 1.61 1.02 -0.93 -4.96 119.74 118.01 1nwt s LYS 169 Ca 0.00 0.33 -0.28 0.00 0.02 0.00 0.00 55.97 56.05 1nwt s LYS 169 Cb 0.00 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1nwt s LYS 169 CO 0.00 -1.51 1.23 0.21 -0.92 0.00 0.00 175.35 174.35 1nwt s LYS 170 N -5.40 3.43 0.16 1.68 2.20 -1.26 -4.88 119.74 115.68 1nwt s LYS 170 Ca 0.61 0.15 -0.33 0.00 -0.36 0.00 0.00 55.97 56.04 1nwt s LYS 170 Cb -0.12 -4.06 -0.16 0.00 -1.51 0.00 0.00 37.83 31.98 1nwt s LYS 170 CO 0.51 -1.80 1.16 0.94 -0.36 0.00 0.00 175.35 175.80 1nwt n GLN 171 N 8.67 1.09 -2.10 4.03 7.27 -1.26 -4.92 117.38 130.16 1nwt n GLN 171 Ca 0.07 0.39 -0.40 0.00 0.07 0.00 0.00 57.00 57.13 1nwt n GLN 171 Cb 0.49 -1.88 -0.02 0.00 2.41 0.00 0.00 30.24 31.24 1nwt n GLN 171 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nwt s LEU 172 N 0.68 4.35 0.31 1.69 1.43 -1.26 -4.99 118.68 120.89 1nwt s LEU 172 Ca 0.75 2.67 -0.17 0.00 -1.03 0.00 0.00 54.13 56.34 1nwt s LEU 172 Cb -0.88 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 41.51 1nwt s LEU 172 CO 0.52 -0.64 0.75 -0.76 0.23 0.00 0.00 176.35 176.46 1nwt s LEU 173 N -2.02 4.12 -0.13 1.79 1.43 0.13 -4.91 118.68 119.09 1nwt s LEU 173 Ca 0.52 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1nwt s LEU 173 Cb -0.39 -4.00 0.03 0.00 0.03 0.00 0.00 46.19 41.86 1nwt s LEU 173 CO 0.51 -0.16 -0.06 -0.22 0.23 0.00 0.00 176.35 176.65 1nwt s LEU 174 N -2.75 1.29 0.33 1.79 2.96 -1.26 -0.43 118.68 120.61 1nwt s LEU 174 Ca 0.52 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1nwt s LEU 174 Cb -0.12 -0.83 -0.06 0.00 0.50 0.00 0.00 46.19 45.68 1nwt s LEU 174 CO 0.18 -0.15 0.06 -0.94 -1.32 0.00 0.00 176.35 174.18 1nwt s SER 175 N 1.71 2.40 -0.09 3.68 1.04 -0.53 -0.41 113.70 121.50 1nwt s SER 175 Ca 0.03 -1.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.00 1nwt s SER 175 Cb -0.14 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 65.99 1nwt s SER 175 CO -0.08 -0.63 0.23 0.00 0.98 0.00 0.00 173.24 173.74 1nwt s ALA 176 N -3.29 -0.54 -0.36 5.32 0.00 -1.17 -0.79 121.76 120.93 1nwt s ALA 176 Ca 0.35 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 1nwt s ALA 176 Cb 0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1nwt s ALA 176 CO 0.15 -0.15 0.47 0.00 0.00 0.00 0.00 175.76 176.23 1nwt s ALA 177 N 0.74 3.47 0.15 0.00 0.00 -0.43 -1.22 121.76 124.47 1nwt s ALA 177 Ca -0.05 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1nwt s ALA 177 Cb -0.06 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1nwt s ALA 177 CO -0.04 -1.26 0.08 -0.51 0.00 0.00 0.00 175.76 174.03 1nwt s LEU 178 N 2.27 3.63 0.59 0.00 1.43 0.30 -4.56 118.68 122.34 1nwt s LEU 178 Ca 0.16 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 1nwt s LEU 178 Cb -0.16 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1nwt s LEU 178 CO 0.13 0.09 1.16 -0.55 0.23 0.00 0.00 176.35 177.42 1nwt s SER 179 N -2.93 5.32 0.00 2.29 0.15 -1.26 -0.76 113.70 116.51 1nwt s SER 179 Ca 0.29 2.25 0.19 0.00 0.70 0.00 0.00 55.95 59.38 1nwt s SER 179 Cb -0.10 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.83 1nwt s SER 179 CO 0.21 -1.49 1.14 0.00 1.20 0.00 0.00 173.24 174.30 1nwt n ALA 180 N -1.66 2.44 -2.69 5.45 0.00 -1.25 -4.63 120.51 118.17 1nwt n ALA 180 Ca 0.12 -0.74 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 1nwt n ALA 180 Cb 0.50 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 1nwt n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nwt s GLY 181 N -1.48 2.38 0.18 0.00 0.00 -1.26 -4.67 107.32 102.47 1nwt s GLY 181 Ca 0.24 0.02 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 1nwt s GLY 181 CO 0.24 1.31 1.64 1.70 0.00 0.00 0.00 173.10 177.99 1nwt h LYS 182 N 7.04 -0.07 -0.27 2.90 3.64 -1.92 0.78 116.57 128.67 1nwt h LYS 182 Ca -0.36 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1nwt h LYS 182 Cb 1.17 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1nwt h LYS 182 CO 0.78 -0.04 -0.04 0.28 -2.27 0.00 0.00 179.45 178.15 1nwt h VAL 183 N -0.07 0.76 -0.74 2.00 2.07 -1.99 0.11 116.25 118.39 1nwt h VAL 183 Ca 0.21 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 1nwt h VAL 183 Cb 0.39 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1nwt h VAL 183 CO -0.49 0.01 0.26 0.74 0.02 0.00 0.00 177.57 178.11 1nwt h THR 184 N 0.03 1.26 -0.56 2.57 2.02 -1.85 -2.42 112.91 113.95 1nwt h THR 184 Ca 0.13 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1nwt h THR 184 Cb 0.18 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1nwt h THR 184 CO -0.25 0.34 0.26 0.40 0.37 0.00 0.00 175.52 176.64 1nwt h ILE 185 N 1.08 1.21 -0.26 3.11 2.04 -0.19 0.12 117.51 124.61 1nwt h ILE 185 Ca 0.24 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1nwt h ILE 185 Cb 0.27 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1nwt h ILE 185 CO -0.01 0.24 -0.11 0.44 0.00 0.00 0.00 178.15 178.71 1nwt h ASP 186 N 0.76 0.41 0.44 1.72 3.32 -0.58 -2.36 116.42 120.13 1nwt h ASP 186 Ca 0.19 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1nwt h ASP 186 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nwt h ASP 186 CO -0.02 0.56 -1.54 -1.54 -1.72 0.00 0.00 179.24 174.98 1nwt n SER 187 N -4.23 0.39 -0.12 6.45 3.41 -0.93 -4.65 113.62 113.94 1nwt n SER 187 Ca 0.00 0.13 -0.18 0.00 -0.26 0.00 0.00 58.87 58.57 1nwt n SER 187 Cb 0.30 1.29 -0.10 0.00 -0.26 0.00 0.00 64.21 65.44 1nwt n SER 187 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nwt n SER 188 N -2.42 2.14 -4.70 4.04 7.64 0.02 -3.22 113.62 117.12 1nwt n SER 188 Ca -0.02 -0.06 -0.31 0.00 1.01 0.00 0.00 58.87 59.49 1nwt n SER 188 Cb 0.56 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.26 1nwt n SER 188 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nwt s TYR 189 N -2.46 3.04 -0.76 1.43 2.02 -0.89 -4.24 117.35 115.50 1nwt s TYR 189 Ca -0.32 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1nwt s TYR 189 Cb 0.09 -1.59 0.26 0.00 -0.40 0.00 0.00 41.96 40.31 1nwt s TYR 189 CO 0.52 0.48 0.91 -3.47 -1.57 0.00 0.00 175.55 172.41 1nwt n ASP 190 N 0.83 4.37 -0.36 2.29 -0.08 -1.26 -4.77 116.55 117.57 1nwt n ASP 190 Ca -0.12 -3.41 0.04 0.00 -1.51 0.00 0.00 54.79 49.79 1nwt n ASP 190 Cb 0.52 -0.83 0.11 0.00 2.34 0.00 0.00 41.12 43.26 1nwt n ASP 190 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nwt h ILE 191 N 3.34 0.01 -0.47 5.18 1.08 -1.92 -1.29 117.51 123.44 1nwt h ILE 191 Ca 0.20 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.70 1nwt h ILE 191 Cb 0.66 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 1nwt h ILE 191 CO 0.95 0.00 0.26 0.00 -0.69 0.00 0.00 178.15 178.67 1nwt h ALA 192 N 1.81 0.60 0.41 1.87 0.00 -1.79 -2.06 119.26 120.10 1nwt h ALA 192 Ca 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1nwt h ALA 192 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nwt h ALA 192 CO -1.00 -0.07 -0.20 -0.22 0.00 0.00 0.00 179.25 177.76 1nwt h LYS 193 N 0.51 -0.53 0.00 0.00 1.63 -1.61 -3.26 116.57 113.32 1nwt h LYS 193 Ca 0.20 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1nwt h LYS 193 Cb 0.06 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1nwt h LYS 193 CO -0.11 -0.24 0.00 -0.84 -3.45 0.00 0.00 179.45 174.81 1nwt h ILE 194 N -0.81 0.00 0.00 2.00 3.07 -1.45 -3.06 117.51 117.26 1nwt h ILE 194 Ca -0.06 -0.43 -0.04 0.00 1.55 0.00 0.00 64.86 65.88 1nwt h ILE 194 Cb 0.54 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 1nwt h ILE 194 CO 0.09 0.00 -0.18 0.28 -1.05 0.00 0.00 178.15 177.29 1nwt h SER 195 N 0.00 0.00 -0.35 2.16 0.02 -1.41 -2.01 113.55 111.96 1nwt h SER 195 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1nwt h SER 195 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1nwt h SER 195 CO 0.00 0.18 -0.31 1.56 -1.14 0.00 0.00 176.83 177.12 1nwt h GLN 196 N 0.00 0.82 0.00 3.45 4.20 -1.67 -3.29 115.11 118.62 1nwt h GLN 196 Ca -0.00 -0.42 -0.15 0.00 0.06 0.00 0.00 58.65 58.14 1nwt h GLN 196 Cb 0.41 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1nwt h GLN 196 CO 0.02 1.06 -0.85 0.45 -0.67 0.00 0.00 178.83 178.84 1nwt h HIS 197 N 0.61 0.00 -3.69 2.96 3.86 -1.66 -3.46 115.15 113.77 1nwt h HIS 197 Ca 0.06 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.77 1nwt h HIS 197 Cb 0.89 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 1nwt h HIS 197 CO 0.07 0.64 0.23 -0.51 0.86 0.00 0.00 177.93 179.21 1nwt s LEU 198 N -6.35 4.41 0.26 2.43 1.43 -0.78 -4.86 118.68 115.21 1nwt s LEU 198 Ca 0.02 1.65 0.14 0.00 -1.03 0.00 0.00 54.13 54.90 1nwt s LEU 198 Cb 0.08 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.67 1nwt s LEU 198 CO 0.78 0.04 1.43 0.44 0.23 0.00 0.00 176.35 179.27 1nwt h ASP 199 N 3.55 0.00 -3.71 2.29 3.32 -1.05 -3.47 116.42 117.35 1nwt h ASP 199 Ca -0.47 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.70 1nwt h ASP 199 Cb 1.20 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.50 1nwt h ASP 199 CO 0.65 0.59 0.64 0.72 -1.72 0.00 0.00 179.24 180.13 1nwt s PHE 200 N -2.96 -0.29 -0.13 4.55 -0.12 -1.25 -4.86 117.98 112.93 1nwt s PHE 200 Ca 0.03 0.53 0.01 0.00 -0.05 0.00 0.00 56.93 57.45 1nwt s PHE 200 Cb 0.08 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1nwt s PHE 200 CO 0.76 -0.25 -0.17 0.42 -0.05 0.00 0.00 175.22 175.93 1nwt s ILE 201 N -0.90 2.70 -0.36 -4.49 1.01 0.13 -3.03 121.20 116.25 1nwt s ILE 201 Ca 0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1nwt s ILE 201 Cb -0.01 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1nwt s ILE 201 CO -0.02 0.53 0.21 -0.44 0.00 0.00 0.00 174.94 175.22 1nwt s SER 202 N 0.43 5.78 -0.26 3.58 0.01 -0.36 0.33 113.70 123.21 1nwt s SER 202 Ca -0.12 -0.82 -0.20 0.00 1.31 0.00 0.00 55.95 56.12 1nwt s SER 202 Cb -0.16 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1nwt s SER 202 CO 0.06 -0.34 0.59 -0.51 0.41 0.00 0.00 173.24 173.45 1nwt s ILE 203 N 1.60 5.01 -0.99 1.44 2.07 -0.35 -0.54 121.20 129.43 1nwt s ILE 203 Ca 0.03 1.03 -0.18 0.00 -1.41 0.00 0.00 60.65 60.12 1nwt s ILE 203 Cb -0.18 -3.91 -0.09 0.00 0.13 0.00 0.00 42.46 38.40 1nwt s ILE 203 CO 0.07 0.03 2.06 0.23 -1.91 0.00 0.00 174.94 175.42 1nwt n MET 204 N 5.68 1.98 -1.25 3.50 2.81 0.06 -1.17 117.12 128.72 1nwt n MET 204 Ca -0.02 -2.00 -0.37 0.00 -1.81 0.00 0.00 57.70 53.50 1nwt n MET 204 Cb 0.49 -2.96 -0.03 0.00 -0.71 0.00 0.00 33.22 30.02 1nwt n MET 204 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nwt n THR 205 N 5.49 2.95 -3.59 2.03 -2.24 -1.26 -3.87 114.28 113.79 1nwt n THR 205 Ca 0.51 -2.17 -0.05 0.00 -2.27 0.00 0.00 64.05 60.07 1nwt n THR 205 Cb 0.36 -2.42 0.02 0.00 -2.10 0.00 0.00 70.33 66.19 1nwt n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nwt n TYR 206 N 5.53 -1.74 -3.00 4.78 0.18 -1.26 -4.76 117.16 116.88 1nwt n TYR 206 Ca 0.55 -1.17 -0.22 0.00 1.88 0.00 0.00 57.90 58.94 1nwt n TYR 206 Cb 0.30 0.58 0.03 0.00 -0.38 0.00 0.00 39.34 39.88 1nwt n TYR 206 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1nwt n ASP 207 N -1.29 -6.10 0.18 9.48 8.00 -0.59 -4.87 116.55 121.36 1nwt n ASP 207 Ca -0.05 -0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.29 1nwt n ASP 207 Cb 0.40 -4.94 0.12 0.00 -0.02 0.00 0.00 41.12 36.69 1nwt n ASP 207 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1nwt h PHE 208 N -1.33 0.00 -3.92 1.24 0.04 -1.31 -3.46 116.94 108.20 1nwt h PHE 208 Ca -0.53 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.11 1nwt h PHE 208 Cb 1.37 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.35 1nwt h PHE 208 CO 0.53 0.00 -0.57 -1.58 -0.60 0.00 0.00 178.31 176.10 1nwt s HIS 209 N -3.25 0.28 -0.05 -0.55 2.46 -1.26 -4.93 115.29 107.98 1nwt s HIS 209 Ca 0.05 -0.64 -0.31 0.00 0.47 0.00 0.00 55.06 54.63 1nwt s HIS 209 Cb 0.06 -0.20 0.12 0.00 -0.13 0.00 0.00 32.58 32.44 1nwt s HIS 209 CO 0.70 -0.36 1.24 0.20 -2.47 0.00 0.00 174.74 174.05 1nwt s GLY 210 N -2.28 -0.37 0.49 1.59 0.00 -1.26 -4.49 107.32 101.00 1nwt s GLY 210 Ca -0.03 0.91 0.38 0.00 0.00 0.00 0.00 44.72 45.98 1nwt s GLY 210 CO -0.06 0.23 1.62 0.00 0.00 0.00 0.00 173.10 174.89 1nwt h ALA 211 N 2.00 3.16 0.00 3.20 0.00 -1.88 -0.40 119.26 125.34 1nwt h ALA 211 Ca -0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nwt h ALA 211 Cb 1.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1nwt h ALA 211 CO 0.27 -1.75 0.00 -2.67 0.00 0.00 0.00 179.25 175.10 1nwt n TRP 212 N -4.39 0.00 -0.02 0.00 4.27 -1.26 -1.30 117.44 114.73 1nwt n TRP 212 Ca 0.39 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.00 1nwt n TRP 212 Cb 1.62 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 31.57 1nwt n TRP 212 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1nwt n ARG 213 N -0.64 -0.77 -0.77 -2.67 1.74 -0.16 -5.02 116.66 108.36 1nwt n ARG 213 Ca 0.00 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1nwt n ARG 213 Cb 0.00 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1nwt n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nwt n GLY 214 N -0.03 0.44 3.09 -0.13 0.00 -0.42 -4.97 105.19 103.17 1nwt n GLY 214 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1nwt n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwt s THR 215 N -2.29 0.20 0.39 2.61 -4.23 -1.26 -3.19 115.64 107.87 1nwt s THR 215 Ca 0.00 -1.68 -0.26 0.00 -1.18 0.00 0.00 61.69 58.57 1nwt s THR 215 Cb 0.00 -1.41 -0.09 0.00 1.34 0.00 0.00 72.50 72.35 1nwt s THR 215 CO 0.00 -0.93 1.15 0.42 -0.54 0.00 0.00 174.62 174.72 1nwt s THR 216 N -3.72 3.23 -0.28 3.99 -4.23 -0.38 -4.82 115.64 109.43 1nwt s THR 216 Ca 0.05 1.05 -0.24 0.00 -1.18 0.00 0.00 61.69 61.36 1nwt s THR 216 Cb 0.06 -3.59 0.13 0.00 1.34 0.00 0.00 72.50 70.44 1nwt s THR 216 CO -0.09 0.11 1.05 -0.83 -0.54 0.00 0.00 174.62 174.32 1nwt s GLY 217 N -1.14 -0.11 0.06 3.99 0.00 -1.26 -1.58 107.32 107.27 1nwt s GLY 217 Ca 0.56 2.76 -0.31 0.00 0.00 0.00 0.00 44.72 47.73 1nwt s GLY 217 CO 0.38 1.89 1.27 -1.58 0.00 0.00 0.00 173.10 175.06 1nwt s HIS 218 N 0.29 3.30 -1.47 1.90 5.65 -1.26 -4.68 115.29 119.02 1nwt s HIS 218 Ca 0.03 1.16 0.29 0.00 0.25 0.00 0.00 55.06 56.78 1nwt s HIS 218 Cb -0.05 -3.51 1.48 0.00 -1.18 0.00 0.00 32.58 29.32 1nwt s HIS 218 CO -0.07 -1.67 2.01 -2.39 -0.65 0.00 0.00 174.74 171.96 1nwt n HIS 219 N 4.22 0.00 -3.00 3.88 -0.00 -1.26 -4.20 115.22 114.86 1nwt n HIS 219 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.68 1nwt n HIS 219 Cb 0.45 -0.26 0.02 0.00 -0.00 0.00 0.00 29.99 30.19 1nwt n HIS 219 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nwt n SER 220 N -1.26 -0.31 -4.80 4.39 2.88 -1.26 -0.87 113.62 112.39 1nwt n SER 220 Ca 0.14 -3.23 -0.34 0.00 -1.33 0.00 0.00 58.87 54.11 1nwt n SER 220 Cb 0.22 0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1nwt n SER 220 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nwt s PRO 221 N -1.46 3.81 -0.05 -1.46 0.04 -1.26 -4.89 135.00 129.73 1nwt s PRO 221 Ca 0.33 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.46 1nwt s PRO 221 Cb 0.33 -2.10 -0.25 0.00 0.04 0.00 0.00 34.50 32.53 1nwt s PRO 221 CO -0.07 -0.42 1.00 1.25 0.04 0.00 0.00 177.00 178.80 1nwt h LEU 222 N 1.51 0.29 -9.61 -3.56 5.85 -1.50 -0.01 115.31 108.27 1nwt h LEU 222 Ca -0.49 -0.82 -0.60 0.00 0.84 0.00 0.00 57.88 56.81 1nwt h LEU 222 Cb 1.22 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.03 1nwt h LEU 222 CO 0.59 1.07 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.82 1nwt s PHE 223 N -2.95 2.23 0.16 1.25 0.08 -1.25 0.23 117.98 117.74 1nwt s PHE 223 Ca -0.15 -0.82 -0.13 0.00 0.12 0.00 0.00 56.93 55.94 1nwt s PHE 223 Cb 0.01 -1.60 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1nwt s PHE 223 CO 0.76 0.26 1.70 -0.09 -0.10 0.00 0.00 175.22 177.75 1nwt h ARG 224 N 1.77 0.81 0.00 0.44 2.43 -1.91 -3.40 114.38 114.52 1nwt h ARG 224 Ca -0.43 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1nwt h ARG 224 Cb 1.26 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1nwt h ARG 224 CO 0.76 0.73 0.00 0.41 -1.51 0.00 0.00 179.97 180.36 1nwt n GLY 225 N -0.74 -1.33 3.46 2.80 0.00 -1.25 -4.78 105.19 103.35 1nwt n GLY 225 Ca 0.02 -1.32 -0.60 0.00 0.00 0.00 0.00 46.02 44.12 1nwt n GLY 225 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nwt n GLN 226 N 0.00 0.38 0.12 1.61 7.27 -1.26 -4.77 117.38 120.73 1nwt n GLN 226 Ca 0.00 0.12 0.17 0.00 0.07 0.00 0.00 57.00 57.36 1nwt n GLN 226 Cb 0.00 -1.77 0.73 0.00 2.41 0.00 0.00 30.24 31.61 1nwt n GLN 226 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nwt h GLU 227 N 8.51 0.00 -0.12 3.69 4.22 -1.95 -2.90 114.58 126.03 1nwt h GLU 227 Ca -0.26 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.14 1nwt h GLU 227 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1nwt h GLU 227 CO 1.03 0.00 -0.06 -0.44 -2.18 0.00 0.00 179.01 177.36 1nwt h ASP 228 N 0.00 0.26 -0.49 1.04 5.19 -1.99 -3.34 116.42 117.09 1nwt h ASP 228 Ca 0.15 -0.42 -0.19 0.00 -0.62 0.00 0.00 57.03 55.94 1nwt h ASP 228 Cb 0.67 -0.07 -0.12 0.00 0.18 0.00 0.00 39.33 39.99 1nwt h ASP 228 CO -0.00 0.63 0.25 0.00 -3.12 0.00 0.00 179.24 176.99 1nwt n ALA 229 N -2.37 3.95 -2.80 3.45 0.00 -1.09 -4.91 120.51 116.74 1nwt n ALA 229 Ca -0.06 -1.48 -0.15 0.00 0.00 0.00 0.00 53.44 51.75 1nwt n ALA 229 Cb 0.29 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 1nwt n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nwt s SER 230 N -0.38 0.60 -0.08 0.00 1.04 -1.25 -4.89 113.70 108.74 1nwt s SER 230 Ca 0.33 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1nwt s SER 230 Cb 0.27 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1nwt s SER 230 CO 0.07 -0.02 -0.04 1.55 0.98 0.00 0.00 173.24 175.78 1nwt h PRO 231 N 5.64 0.00 -7.28 4.02 0.13 -1.91 -3.47 132.00 129.13 1nwt h PRO 231 Ca -0.29 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.35 1nwt h PRO 231 Cb 1.20 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.50 1nwt h PRO 231 CO 0.48 0.00 0.20 -0.51 -0.23 0.00 0.00 178.00 177.93 1nwt s ASP 232 N -4.78 2.85 0.00 1.44 1.11 -1.26 -4.93 116.67 111.11 1nwt s ASP 232 Ca -0.04 1.70 0.00 0.00 0.18 0.00 0.00 52.55 54.39 1nwt s ASP 232 Cb 0.01 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1nwt s ASP 232 CO 0.05 -3.06 0.49 0.54 1.18 0.00 0.00 175.17 174.37 1nwt n ARG 233 N -4.18 -0.97 -0.00 8.23 1.74 -1.26 -4.63 116.66 115.59 1nwt n ARG 233 Ca 0.07 -0.49 0.02 0.00 -0.77 0.00 0.00 57.85 56.68 1nwt n ARG 233 Cb 0.54 -0.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 1nwt n ARG 233 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1nwt n PHE 234 N -0.00 0.00 -1.45 -1.55 3.72 -1.26 -4.82 117.46 112.10 1nwt n PHE 234 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1nwt n PHE 234 Cb 0.01 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 1nwt n PHE 234 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nwt n SER 235 N -1.21 7.94 -3.46 4.37 7.64 -1.26 -4.45 113.62 123.19 1nwt n SER 235 Ca 0.00 -2.67 -0.14 0.00 1.01 0.00 0.00 58.87 57.07 1nwt n SER 235 Cb 0.06 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 61.67 1nwt n SER 235 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nwt s ASN 236 N 2.14 -0.60 0.12 6.43 2.20 -1.26 -4.76 114.94 119.21 1nwt s ASN 236 Ca 0.65 0.28 -0.26 0.00 -0.94 0.00 0.00 52.86 52.58 1nwt s ASN 236 Cb 0.17 0.58 -0.07 0.00 -2.00 0.00 0.00 41.25 39.93 1nwt s ASN 236 CO -0.07 -0.83 1.64 0.74 -2.94 0.00 0.00 177.10 175.64 1nwt h THR 237 N 2.39 0.42 -0.59 0.54 2.02 -1.00 -2.90 112.91 113.79 1nwt h THR 237 Ca -0.31 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.99 1nwt h THR 237 Cb 1.24 0.42 -0.10 0.00 -1.74 0.00 0.00 68.15 67.97 1nwt h THR 237 CO 0.38 0.00 -0.04 -0.78 0.37 0.00 0.00 175.52 175.45 1nwt h ASP 238 N -0.43 -0.34 0.36 4.18 3.58 -0.45 -1.30 116.42 122.01 1nwt h ASP 238 Ca 0.05 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1nwt h ASP 238 Cb 0.49 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1nwt h ASP 238 CO -0.20 -0.13 -0.17 0.22 -2.88 0.00 0.00 179.24 176.08 1nwt h TYR 239 N 0.08 -0.44 -0.46 0.28 3.20 -1.79 -2.14 116.97 115.70 1nwt h TYR 239 Ca 0.30 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.24 1nwt h TYR 239 Cb 0.48 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.82 1nwt h TYR 239 CO -0.39 -0.28 0.03 0.00 -1.64 0.00 0.00 178.16 175.88 1nwt h ALA 240 N 0.17 0.45 0.48 1.82 0.00 -1.25 0.16 119.26 121.09 1nwt h ALA 240 Ca -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nwt h ALA 240 Cb 0.37 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nwt h ALA 240 CO 0.08 -0.37 -0.30 0.28 0.00 0.00 0.00 179.25 178.94 1nwt h VAL 241 N 0.14 0.38 -0.84 0.00 2.07 -1.18 -1.50 116.25 115.32 1nwt h VAL 241 Ca 0.23 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1nwt h VAL 241 Cb 0.33 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1nwt h VAL 241 CO -0.36 0.00 0.51 1.23 0.02 0.00 0.00 177.57 178.97 1nwt h GLY 242 N -0.75 1.26 1.00 2.17 0.00 -1.06 -1.78 103.07 103.92 1nwt h GLY 242 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1nwt h GLY 242 CO 0.05 0.24 0.02 -1.82 0.00 0.00 0.00 176.54 175.03 1nwt h TYR 243 N 0.93 0.04 -0.88 5.60 3.20 -0.46 -1.45 116.97 123.95 1nwt h TYR 243 Ca 0.37 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.28 1nwt h TYR 243 Cb 0.19 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 1nwt h TYR 243 CO -0.04 0.03 0.56 0.52 -1.64 0.00 0.00 178.16 177.59 1nwt h MET 244 N 0.04 1.04 -0.42 1.82 2.86 -0.89 0.20 114.93 119.59 1nwt h MET 244 Ca 0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1nwt h MET 244 Cb -0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1nwt h MET 244 CO -0.00 0.69 0.20 -0.07 1.06 0.00 0.00 176.91 178.78 1nwt h LEU 245 N 1.07 0.55 -1.35 1.22 3.38 -1.07 -1.81 115.31 117.30 1nwt h LEU 245 Ca 0.36 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1nwt h LEU 245 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nwt h LEU 245 CO -0.14 0.53 -0.15 -0.09 0.09 0.00 0.00 178.44 178.68 1nwt h ARG 246 N 0.53 0.25 0.00 1.13 2.43 -0.66 -1.45 114.38 116.62 1nwt h ARG 246 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1nwt h ARG 246 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1nwt h ARG 246 CO -0.02 0.41 0.00 1.28 -1.51 0.00 0.00 179.97 180.13 1nwt n LEU 247 N -4.25 0.50 0.00 3.80 4.77 0.00 -4.84 117.00 116.98 1nwt n LEU 247 Ca -0.01 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1nwt n LEU 247 Cb 0.28 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1nwt n LEU 247 CO 0.38 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1nwt n GLY 248 N -0.04 1.66 3.53 -0.72 0.00 -0.55 -3.38 105.19 105.70 1nwt n GLY 248 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1nwt n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwt s ALA 249 N -2.00 3.28 0.12 4.61 0.00 -0.73 -4.55 121.76 122.48 1nwt s ALA 249 Ca 0.00 -1.08 -0.35 0.00 0.00 0.00 0.00 51.96 50.53 1nwt s ALA 249 Cb 0.00 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1nwt s ALA 249 CO 0.00 -1.99 1.50 -2.30 0.00 0.00 0.00 175.76 172.97 1nwt n PRO 250 N 6.77 1.75 -0.09 0.00 -0.02 -1.26 -4.40 135.00 137.75 1nwt n PRO 250 Ca 0.02 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1nwt n PRO 250 Cb 0.48 -2.35 0.53 0.00 -0.02 0.00 0.00 33.50 32.13 1nwt n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nwt h ALA 251 N 5.51 2.10 0.00 3.55 0.00 -1.93 0.20 119.26 128.68 1nwt h ALA 251 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nwt h ALA 251 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nwt h ALA 251 CO 0.85 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1nwt n SER 252 N -4.46 0.39 -0.32 0.00 3.41 -1.26 -0.93 113.62 110.45 1nwt n SER 252 Ca 0.11 0.61 0.03 0.00 -0.26 0.00 0.00 58.87 59.36 1nwt n SER 252 Cb 0.44 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1nwt n SER 252 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nwt n LYS 253 N -1.95 1.05 -3.68 4.33 5.02 0.65 -4.34 118.16 119.25 1nwt n LYS 253 Ca 0.02 -1.26 -0.37 0.00 -2.02 0.00 0.00 58.31 54.68 1nwt n LYS 253 Cb 0.17 -1.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 1nwt n LYS 253 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nwt s LEU 254 N -0.73 3.84 -0.18 -0.35 2.96 -0.98 0.18 118.68 123.41 1nwt s LEU 254 Ca 0.10 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1nwt s LEU 254 Cb 0.06 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1nwt s LEU 254 CO 0.09 -0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.40 1nwt s VAL 255 N 1.53 3.95 -0.24 1.68 1.01 0.15 -0.53 120.40 127.95 1nwt s VAL 255 Ca 0.07 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1nwt s VAL 255 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1nwt s VAL 255 CO 0.07 0.46 0.57 -0.32 0.00 0.00 0.00 175.10 175.88 1nwt s MET 256 N 0.70 4.13 0.13 2.72 1.75 -0.21 -1.22 119.30 127.31 1nwt s MET 256 Ca -0.01 0.46 -0.30 0.00 -1.25 0.00 0.00 55.69 54.59 1nwt s MET 256 Cb -0.14 -3.62 -0.07 0.00 2.84 0.00 0.00 34.83 33.83 1nwt s MET 256 CO 0.02 -0.32 1.17 0.20 -0.65 0.00 0.00 175.02 175.43 1nwt s GLY 257 N 1.40 2.63 -0.09 2.11 0.00 -0.32 -0.42 107.32 112.63 1nwt s GLY 257 Ca 0.25 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.85 1nwt s GLY 257 CO 0.09 1.86 -0.16 -0.42 0.00 0.00 0.00 173.10 174.47 1nwt s ILE 258 N 0.32 1.47 0.17 0.90 1.01 0.18 -4.10 121.20 121.15 1nwt s ILE 258 Ca 0.54 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 1nwt s ILE 258 Cb -0.30 -1.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.76 1nwt s ILE 258 CO 0.33 0.43 0.69 -2.16 0.00 0.00 0.00 174.94 174.23 1nwt s PRO 259 N 0.76 4.30 -0.14 2.79 0.04 -1.26 -2.64 135.00 138.84 1nwt s PRO 259 Ca -0.12 0.88 0.15 0.00 0.04 0.00 0.00 61.00 61.96 1nwt s PRO 259 Cb -0.16 -3.06 0.54 0.00 0.04 0.00 0.00 34.50 31.87 1nwt s PRO 259 CO 0.02 0.50 1.45 0.25 0.04 0.00 0.00 177.00 179.27 1nwt n THR 260 N 1.17 2.00 -4.27 1.26 -2.24 -0.69 -4.53 114.28 106.98 1nwt n THR 260 Ca -0.05 -1.53 -0.15 0.00 -2.27 0.00 0.00 64.05 60.04 1nwt n THR 260 Cb 0.50 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 1nwt n THR 260 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1nwt s PHE 261 N -2.28 1.36 0.30 4.78 -0.71 -1.26 -1.22 117.98 118.96 1nwt s PHE 261 Ca 0.41 -0.71 0.11 0.00 -1.04 0.00 0.00 56.93 55.69 1nwt s PHE 261 Cb 0.30 -0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 41.38 1nwt s PHE 261 CO 0.13 0.14 -0.12 0.20 -1.34 0.00 0.00 175.22 174.23 1nwt s GLY 262 N -3.18 1.97 -0.20 1.99 0.00 0.36 -4.63 107.32 103.64 1nwt s GLY 262 Ca 0.18 -1.93 -0.06 0.00 0.00 0.00 0.00 44.72 42.91 1nwt s GLY 262 CO 0.02 -1.95 0.03 0.50 0.00 0.00 0.00 173.10 171.70 1nwt s ARG 263 N -3.58 3.74 0.27 2.90 1.81 -0.69 -2.43 118.95 120.97 1nwt s ARG 263 Ca 0.31 -0.46 0.08 0.00 -1.72 0.00 0.00 55.73 53.95 1nwt s ARG 263 Cb -0.02 -3.16 -0.04 0.00 -0.45 0.00 0.00 34.95 31.28 1nwt s ARG 263 CO 0.16 0.07 0.13 -1.54 -0.68 0.00 0.00 175.30 173.44 1nwt s SER 264 N 0.89 5.13 0.05 0.23 1.04 -0.67 -1.61 113.70 118.76 1nwt s SER 264 Ca 0.02 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1nwt s SER 264 Cb -0.14 -1.16 -0.03 0.00 0.10 0.00 0.00 66.02 64.80 1nwt s SER 264 CO 0.02 -0.05 0.03 -0.36 0.98 0.00 0.00 173.24 173.85 1nwt s PHE 265 N -2.22 0.38 -0.38 5.02 0.08 0.99 -1.63 117.98 120.21 1nwt s PHE 265 Ca 0.33 -0.84 -0.10 0.00 0.12 0.00 0.00 56.93 56.45 1nwt s PHE 265 Cb -0.07 -0.27 0.05 0.00 -0.57 0.00 0.00 43.02 42.15 1nwt s PHE 265 CO 0.23 -0.38 0.21 0.99 -0.10 0.00 0.00 175.22 176.17 1nwt s THR 266 N -3.40 4.32 0.77 0.64 2.01 0.04 -1.57 115.64 118.45 1nwt s THR 266 Ca 0.02 -1.10 -0.15 0.00 0.31 0.00 0.00 61.69 60.78 1nwt s THR 266 Cb 0.04 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1nwt s THR 266 CO -0.08 -0.32 1.05 0.18 -0.69 0.00 0.00 174.62 174.76 1nwt n LEU 267 N 4.94 3.80 -0.05 4.42 4.77 0.89 -0.32 117.00 135.45 1nwt n LEU 267 Ca -0.11 0.62 0.01 0.00 -0.03 0.00 0.00 56.01 56.50 1nwt n LEU 267 Cb 0.45 -1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1nwt n LEU 267 CO 0.37 -1.93 0.11 0.00 -1.33 0.00 0.00 177.39 174.61 1nwt n ALA 268 N -2.88 2.42 -3.00 -1.18 0.00 -0.57 -4.46 120.51 110.83 1nwt n ALA 268 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1nwt n ALA 268 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1nwt n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nwt n SER 269 N -0.57 0.00 -0.24 0.00 3.41 -1.26 -5.01 113.62 109.94 1nwt n SER 269 Ca 0.01 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 1nwt n SER 269 Cb 0.06 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.37 1nwt n SER 269 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nwt n SER 270 N -0.14 1.03 -4.71 4.04 3.41 -1.26 -4.87 113.62 111.13 1nwt n SER 270 Ca 0.00 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 1nwt n SER 270 Cb 0.00 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1nwt n SER 270 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nwt s GLU 271 N -2.52 4.39 0.00 4.33 2.02 -1.26 -4.92 118.70 120.74 1nwt s GLU 271 Ca 0.24 1.84 0.00 0.00 0.02 0.00 0.00 54.97 57.06 1nwt s GLU 271 Cb 0.19 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1nwt s GLU 271 CO 0.53 -0.34 0.70 0.25 0.02 0.00 0.00 175.26 176.42 1nwt n THR 272 N 4.06 0.48 -2.00 3.63 -2.24 -1.26 -4.73 114.28 112.22 1nwt n THR 272 Ca 0.10 -0.57 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 1nwt n THR 272 Cb 0.45 0.85 0.11 0.00 -2.10 0.00 0.00 70.33 69.65 1nwt n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nwt n GLY 273 N -0.24 -0.48 3.70 3.38 0.00 -1.26 -4.94 105.19 105.35 1nwt n GLY 273 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1nwt n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwt s VAL 274 N -2.54 3.23 0.00 1.61 1.01 -1.26 -2.35 120.40 120.10 1nwt s VAL 274 Ca 0.48 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1nwt s VAL 274 Cb -0.02 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1nwt s VAL 274 CO 0.33 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1nwt n GLY 275 N 3.70 0.56 3.72 4.51 0.00 -0.61 -4.98 105.19 112.09 1nwt n GLY 275 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1nwt n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwt s ALA 276 N -2.28 2.02 0.36 4.61 0.00 -0.99 -4.47 121.76 121.00 1nwt s ALA 276 Ca 0.00 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.50 1nwt s ALA 276 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1nwt s ALA 276 CO 0.00 -2.02 1.22 -2.14 0.00 0.00 0.00 175.76 172.83 1nwt s PRO 277 N -4.08 4.23 0.17 0.00 0.02 -1.26 -1.24 135.00 132.85 1nwt s PRO 277 Ca 0.72 2.00 0.06 0.00 0.02 0.00 0.00 61.00 63.80 1nwt s PRO 277 Cb -0.28 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 1nwt s PRO 277 CO 0.48 -0.22 -0.11 0.96 -0.33 0.00 0.00 177.00 177.78 1nwt s ILE 278 N -1.26 1.37 -1.51 2.83 -4.36 -1.19 -1.51 121.20 115.56 1nwt s ILE 278 Ca 0.52 -2.11 0.15 0.00 -0.26 0.00 0.00 60.65 58.95 1nwt s ILE 278 Cb -0.35 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1nwt s ILE 278 CO 0.45 -0.67 0.85 -1.54 0.24 0.00 0.00 174.94 174.28 1nwt n SER 279 N -0.28 1.74 0.00 4.36 3.41 0.56 -4.74 113.62 118.68 1nwt n SER 279 Ca -0.09 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1nwt n SER 279 Cb 0.61 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1nwt n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwt n GLY 280 N 1.03 -0.25 3.62 5.00 0.00 -1.25 -4.99 105.19 108.34 1nwt n GLY 280 Ca 0.07 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1nwt n GLY 280 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nwt s PRO 281 N -2.00 0.38 0.86 1.61 0.04 -1.26 -0.78 135.00 133.85 1nwt s PRO 281 Ca 0.00 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1nwt s PRO 281 Cb 0.00 -1.69 0.11 0.00 0.04 0.00 0.00 34.50 32.96 1nwt s PRO 281 CO 0.00 -2.92 1.12 0.20 0.04 0.00 0.00 177.00 175.44 1nwt s GLY 282 N -2.84 1.59 0.29 0.56 0.00 -0.64 -3.44 107.32 102.84 1nwt s GLY 282 Ca 0.66 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1nwt s GLY 282 CO 0.60 0.10 1.37 -0.42 0.00 0.00 0.00 173.10 174.75 1nwt s ILE 283 N -3.24 2.71 0.51 0.90 1.01 -1.26 -2.22 121.20 119.60 1nwt s ILE 283 Ca 0.62 0.65 -0.22 0.00 0.00 0.00 0.00 60.65 61.70 1nwt s ILE 283 Cb -0.15 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 1nwt s ILE 283 CO 0.54 0.13 1.22 -2.65 0.00 0.00 0.00 174.94 174.17 1nwt n PRO 284 N 1.56 1.57 -2.13 2.79 -0.02 -1.26 -4.65 135.00 132.86 1nwt n PRO 284 Ca 0.03 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1nwt n PRO 284 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1nwt n PRO 284 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nwt s GLY 285 N -0.84 2.15 0.39 -1.23 0.00 -1.25 -4.86 107.32 101.67 1nwt s GLY 285 Ca 0.68 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.86 1nwt s GLY 285 CO 0.52 0.69 1.99 -0.09 0.00 0.00 0.00 173.10 176.22 1nwt h ARG 286 N 0.59 0.63 0.00 2.90 2.43 -1.95 -1.48 114.38 117.51 1nwt h ARG 286 Ca -0.47 -0.04 -0.39 0.00 -0.81 0.00 0.00 59.98 58.28 1nwt h ARG 286 Cb 1.22 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 1nwt h ARG 286 CO 0.58 0.42 -2.45 1.19 -1.51 0.00 0.00 179.97 178.20 1nwt n PHE 287 N -4.47 0.03 0.39 2.20 3.72 -1.26 -4.50 117.46 113.56 1nwt n PHE 287 Ca 0.08 0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.61 1nwt n PHE 287 Cb 0.20 -1.00 0.19 0.00 -0.94 0.00 0.00 39.48 37.92 1nwt n PHE 287 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1nwt h THR 288 N 0.00 0.00 -7.03 4.37 1.35 -1.93 -3.43 112.91 106.24 1nwt h THR 288 Ca -0.57 -0.74 -0.51 0.00 -0.55 0.00 0.00 66.41 64.04 1nwt h THR 288 Cb 1.97 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 69.87 1nwt h THR 288 CO -0.06 0.00 -0.85 0.29 -0.25 0.00 0.00 175.52 174.64 1nwt n LYS 289 N -2.54 -0.37 -3.42 4.72 5.02 -0.56 -4.89 118.16 116.12 1nwt n LYS 289 Ca 0.03 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1nwt n LYS 289 Cb 0.49 -1.97 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 1nwt n LYS 289 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nwt s GLU 290 N -7.08 0.28 0.12 1.97 2.12 -1.26 -4.92 118.70 109.92 1nwt s GLU 290 Ca 0.39 0.26 -0.35 0.00 0.36 0.00 0.00 54.97 55.62 1nwt s GLU 290 Cb -0.22 -0.82 -0.16 0.00 0.26 0.00 0.00 34.13 33.19 1nwt s GLU 290 CO 0.82 -0.73 1.32 0.00 -0.54 0.00 0.00 175.26 176.13 1nwt n ALA 291 N 5.34 -0.71 -0.55 6.30 0.00 -1.26 -0.80 120.51 128.83 1nwt n ALA 291 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1nwt n ALA 291 Cb 0.49 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1nwt n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwt n GLY 292 N 2.46 0.89 3.14 0.00 0.00 -0.94 -4.80 105.19 105.94 1nwt n GLY 292 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1nwt n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nwt s THR 293 N -3.15 1.23 -0.11 2.61 2.01 0.02 -1.67 115.64 116.58 1nwt s THR 293 Ca 0.00 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1nwt s THR 293 Cb 0.00 -1.03 0.05 0.00 0.01 0.00 0.00 72.50 71.54 1nwt s THR 293 CO 0.00 0.33 0.24 -0.76 -0.69 0.00 0.00 174.62 173.74 1nwt s LEU 294 N -0.41 0.14 0.69 4.42 1.43 -1.02 -3.85 118.68 120.08 1nwt s LEU 294 Ca 0.06 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 1nwt s LEU 294 Cb -0.06 0.67 0.01 0.00 0.03 0.00 0.00 46.19 46.84 1nwt s LEU 294 CO -0.00 -0.20 1.09 0.00 0.23 0.00 0.00 176.35 177.47 1nwt s ALA 295 N 1.74 2.48 0.30 4.21 0.00 -1.26 -0.48 121.76 128.75 1nwt s ALA 295 Ca -0.05 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1nwt s ALA 295 Cb -0.11 -3.27 0.56 0.00 0.00 0.00 0.00 23.12 20.30 1nwt s ALA 295 CO -0.08 -1.35 1.89 -0.92 0.00 0.00 0.00 175.76 175.29 1nwt h TYR 296 N -0.40 1.06 0.00 0.00 3.20 0.48 0.01 116.97 121.32 1nwt h TYR 296 Ca -0.45 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 1nwt h TYR 296 Cb 1.23 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1nwt h TYR 296 CO 0.57 0.50 -0.31 0.10 -1.64 0.00 0.00 178.16 177.39 1nwt h TYR 297 N 0.99 0.00 -0.00 -3.82 -0.00 -1.80 -0.80 116.97 111.54 1nwt h TYR 297 Ca 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.98 1nwt h TYR 297 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.04 1nwt h TYR 297 CO -0.00 0.31 -0.79 0.93 -0.00 0.00 0.00 178.16 178.60 1nwt h GLU 298 N 0.00 0.08 -0.36 0.10 5.08 -1.40 -3.10 114.58 114.98 1nwt h GLU 298 Ca -0.00 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1nwt h GLU 298 Cb 0.60 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1nwt h GLU 298 CO 0.04 0.83 -0.28 0.82 -1.00 0.00 0.00 179.01 179.42 1nwt h ILE 299 N 0.05 1.28 -0.28 3.13 2.04 -0.07 -2.19 117.51 121.46 1nwt h ILE 299 Ca -0.02 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1nwt h ILE 299 Cb 1.39 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1nwt h ILE 299 CO 0.11 0.47 0.18 0.00 0.00 0.00 0.00 178.15 178.91 1nwt h ASP 301 N 0.36 -0.06 -0.92 0.00 3.32 -1.49 -3.16 116.42 114.48 1nwt h ASP 301 Ca 0.10 -0.45 0.19 0.00 0.02 0.00 0.00 57.03 56.89 1nwt h ASP 301 Cb -0.03 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.43 1nwt h ASP 301 CO -0.02 0.43 0.49 0.15 -1.72 0.00 0.00 179.24 178.57 1nwt h PHE 302 N -0.57 0.85 0.00 4.55 3.57 -0.60 0.58 116.94 125.32 1nwt h PHE 302 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1nwt h PHE 302 Cb 0.50 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1nwt h PHE 302 CO 0.09 0.13 0.08 -0.07 -2.23 0.00 0.00 178.31 176.31 1nwt h LEU 303 N 0.60 0.00 -8.76 0.59 3.38 -0.45 -3.36 115.31 107.31 1nwt h LEU 303 Ca 0.54 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.95 1nwt h LEU 303 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1nwt h LEU 303 CO -0.42 0.00 1.28 -0.13 0.09 0.00 0.00 178.44 179.26 1nwt s ARG 304 N -3.94 3.15 0.00 1.13 0.52 0.19 -1.78 118.95 118.22 1nwt s ARG 304 Ca -0.04 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.34 1nwt s ARG 304 Cb 0.10 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1nwt s ARG 304 CO 0.31 -2.08 0.00 0.41 0.02 0.00 0.00 175.30 173.96 1nwt n GLY 305 N 5.47 0.63 3.75 -3.53 0.00 -1.26 -5.05 105.19 105.19 1nwt n GLY 305 Ca 0.22 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1nwt n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwt s ALA 306 N -2.00 3.46 -0.17 4.61 0.00 -0.73 -4.91 121.76 122.02 1nwt s ALA 306 Ca 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 51.96 50.28 1nwt s ALA 306 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1nwt s ALA 306 CO 0.00 0.18 0.04 0.99 0.00 0.00 0.00 175.76 176.97 1nwt s THR 307 N -2.28 4.61 -0.18 0.00 2.01 -0.60 -4.92 115.64 114.28 1nwt s THR 307 Ca 0.34 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.18 1nwt s THR 307 Cb -0.06 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1nwt s THR 307 CO 0.23 0.48 0.04 -0.69 -0.69 0.00 0.00 174.62 173.99 1nwt s VAL 308 N 0.22 4.55 -0.10 3.82 1.01 -1.26 -1.37 120.40 127.28 1nwt s VAL 308 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1nwt s VAL 308 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1nwt s VAL 308 CO 0.01 0.47 -0.23 -1.00 0.00 0.00 0.00 175.10 174.34 1nwt s HIS 309 N 0.38 2.50 -0.18 5.22 3.76 -0.02 -4.97 115.29 121.97 1nwt s HIS 309 Ca 0.01 -1.02 -0.25 0.00 -0.15 0.00 0.00 55.06 53.65 1nwt s HIS 309 Cb -0.13 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 1nwt s HIS 309 CO 0.01 -0.41 0.82 1.03 -0.85 0.00 0.00 174.74 175.34 1nwt s ARG 310 N 0.36 4.27 -0.58 1.40 1.81 -1.26 -1.63 118.95 123.33 1nwt s ARG 310 Ca -0.19 0.99 -0.25 0.00 -1.72 0.00 0.00 55.73 54.55 1nwt s ARG 310 Cb -0.18 -3.59 0.04 0.00 -0.45 0.00 0.00 34.95 30.77 1nwt s ARG 310 CO 0.09 -0.36 1.05 0.42 -0.68 0.00 0.00 175.30 175.81 1nwt s ILE 311 N 2.27 4.22 0.44 1.52 1.01 0.29 -4.99 121.20 125.95 1nwt s ILE 311 Ca 0.37 0.43 -0.25 0.00 0.00 0.00 0.00 60.65 61.20 1nwt s ILE 311 Cb -0.16 -4.64 -0.09 0.00 0.01 0.00 0.00 42.46 37.58 1nwt s ILE 311 CO 0.11 -1.27 1.33 0.18 0.00 0.00 0.00 174.94 175.30 1nwt n LEU 312 N 7.93 4.46 0.00 2.97 4.77 -1.26 -1.38 117.00 134.50 1nwt n LEU 312 Ca 0.03 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1nwt n LEU 312 Cb 0.48 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1nwt n LEU 312 CO 0.67 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1nwt n GLY 313 N 0.73 1.85 0.05 -0.72 0.00 -1.26 -4.54 105.19 101.30 1nwt n GLY 313 Ca 0.06 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1nwt n GLY 313 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwt n GLN 314 N 0.00 0.44 -1.67 1.61 6.02 -0.90 -3.95 117.38 118.94 1nwt n GLN 314 Ca 0.00 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1nwt n GLN 314 Cb 0.00 -1.65 -0.07 0.00 1.02 0.00 0.00 30.24 29.55 1nwt n GLN 314 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nwt n GLN 315 N -2.22 -1.32 -4.26 -1.09 1.13 -0.48 -1.23 117.38 107.91 1nwt n GLN 315 Ca 0.00 1.11 -0.16 0.00 -1.94 0.00 0.00 57.00 56.01 1nwt n GLN 315 Cb 0.49 -5.44 -0.10 0.00 0.11 0.00 0.00 30.24 25.30 1nwt n GLN 315 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1nwt s VAL 316 N -2.73 1.30 0.27 5.09 -7.23 -1.25 -4.62 120.40 111.23 1nwt s VAL 316 Ca 0.00 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1nwt s VAL 316 Cb 0.00 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1nwt s VAL 316 CO 0.00 -0.62 0.26 -2.16 -0.31 0.00 0.00 175.10 172.27 1nwt s PRO 317 N -3.37 3.01 0.01 4.82 0.04 -1.25 -0.55 135.00 137.71 1nwt s PRO 317 Ca 0.15 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1nwt s PRO 317 Cb -0.00 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1nwt s PRO 317 CO 0.02 0.34 -0.03 1.52 0.04 0.00 0.00 177.00 178.89 1nwt s TYR 318 N -2.13 0.24 0.10 0.56 -0.85 -0.64 -2.54 117.35 112.08 1nwt s TYR 318 Ca 0.35 -0.28 0.09 0.00 -0.52 0.00 0.00 57.07 56.72 1nwt s TYR 318 Cb -0.08 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1nwt s TYR 318 CO 0.26 -0.08 -0.23 0.00 -1.52 0.00 0.00 175.55 173.98 1nwt s ALA 319 N -0.75 2.49 -0.02 9.51 0.00 -0.25 -0.84 121.76 131.90 1nwt s ALA 319 Ca -0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 1nwt s ALA 319 Cb -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1nwt s ALA 319 CO -0.00 0.56 0.06 -0.08 0.00 0.00 0.00 175.76 176.29 1nwt s THR 320 N -1.02 0.01 -0.24 0.00 -1.32 -0.47 -1.23 115.64 111.37 1nwt s THR 320 Ca 0.15 -0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.42 1nwt s THR 320 Cb -0.10 -0.12 0.08 0.00 -1.51 0.00 0.00 72.50 70.85 1nwt s THR 320 CO 0.06 -0.05 0.56 -0.75 -2.21 0.00 0.00 174.62 172.23 1nwt s LYS 321 N -0.14 0.53 6.63 7.08 2.20 -0.86 -1.55 119.74 133.63 1nwt s LYS 321 Ca -0.02 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1nwt s LYS 321 Cb -0.01 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1nwt s LYS 321 CO 0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nwt n GLY 322 N 4.65 3.15 1.63 5.54 0.00 -1.26 -1.67 105.19 117.22 1nwt n GLY 322 Ca -0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 1nwt n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwt n ASN 323 N 2.44 4.28 -4.55 1.61 6.94 -1.26 -4.90 115.26 119.81 1nwt n ASN 323 Ca 0.00 -2.81 -0.32 0.00 -0.02 0.00 0.00 54.58 51.43 1nwt n ASN 323 Cb 0.00 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 36.64 1nwt n ASN 323 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1nwt s GLN 324 N -2.33 2.48 -0.04 -3.83 -1.52 -0.67 -0.08 119.66 113.66 1nwt s GLN 324 Ca 0.41 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 53.05 1nwt s GLN 324 Cb 0.32 -2.44 0.03 0.00 -0.22 0.00 0.00 33.01 30.71 1nwt s GLN 324 CO 0.11 0.60 0.09 -0.46 -0.25 0.00 0.00 175.29 175.38 1nwt s TRP 325 N -0.93 -0.08 -0.03 0.91 -0.00 -0.61 -2.03 118.94 116.17 1nwt s TRP 325 Ca 0.15 0.32 -0.01 0.00 -0.00 0.00 0.00 56.10 56.56 1nwt s TRP 325 Cb -0.11 -0.15 0.03 0.00 -0.00 0.00 0.00 33.47 33.24 1nwt s TRP 325 CO 0.06 -0.13 0.05 0.54 -0.00 0.00 0.00 176.95 177.47 1nwt s VAL 326 N 1.08 -0.05 -0.23 5.86 0.11 -0.37 -0.01 120.40 126.79 1nwt s VAL 326 Ca -0.09 0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1nwt s VAL 326 Cb -0.12 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 1nwt s VAL 326 CO -0.04 0.08 0.15 -0.83 -3.33 0.00 0.00 175.10 171.12 1nwt s GLY 327 N 1.01 1.99 0.12 6.54 0.00 -0.63 -1.09 107.32 115.26 1nwt s GLY 327 Ca -0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 1nwt s GLY 327 CO -0.03 0.31 0.16 1.58 0.00 0.00 0.00 173.10 175.12 1nwt n TYR 328 N 4.06 -0.76 -5.18 1.90 4.11 -1.05 -1.71 117.16 118.53 1nwt n TYR 328 Ca -0.15 -0.81 -0.30 0.00 -0.00 0.00 0.00 57.90 56.64 1nwt n TYR 328 Cb 0.52 0.18 -0.16 0.00 -0.00 0.00 0.00 39.34 39.88 1nwt n TYR 328 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nwt s ASP 329 N -1.74 2.85 0.36 9.48 1.01 -1.26 -3.83 116.67 123.53 1nwt s ASP 329 Ca 0.10 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 52.91 1nwt s ASP 329 Cb -0.00 -0.60 -0.00 0.00 1.01 0.00 0.00 42.92 43.32 1nwt s ASP 329 CO 0.07 0.25 0.05 -0.90 0.21 0.00 0.00 175.17 174.85 1nwt n ASP 330 N 2.80 2.30 -0.34 0.27 5.68 -1.26 -4.94 116.55 121.05 1nwt n ASP 330 Ca -0.17 -2.69 0.13 0.00 -0.50 0.00 0.00 54.79 51.56 1nwt n ASP 330 Cb 0.52 0.48 0.33 0.00 -1.14 0.00 0.00 41.12 41.31 1nwt n ASP 330 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1nwt h GLN 331 N 0.00 0.75 -0.23 0.11 4.20 -1.93 -1.26 115.11 116.76 1nwt h GLN 331 Ca -0.29 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 1nwt h GLN 331 Cb 0.96 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1nwt h GLN 331 CO 0.47 0.50 -0.11 1.49 -0.67 0.00 0.00 178.83 180.51 1nwt h GLU 332 N 0.77 0.49 -0.29 1.46 4.81 -1.99 -2.81 114.58 117.01 1nwt h GLU 332 Ca 0.55 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1nwt h GLU 332 Cb 0.85 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1nwt h GLU 332 CO -0.34 0.76 -0.16 0.66 -0.73 0.00 0.00 179.01 179.20 1nwt h SER 333 N 0.20 0.65 0.11 1.04 4.64 -1.67 -2.81 113.55 115.71 1nwt h SER 333 Ca 0.05 -0.42 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1nwt h SER 333 Cb 0.61 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1nwt h SER 333 CO 0.03 0.92 -0.11 -0.37 -0.87 0.00 0.00 176.83 176.44 1nwt h VAL 334 N 0.37 1.05 -0.19 0.95 -1.51 -1.33 -0.72 116.25 114.88 1nwt h VAL 334 Ca 0.06 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 1nwt h VAL 334 Cb 0.68 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1nwt h VAL 334 CO 0.05 0.11 0.04 0.50 -1.23 0.00 0.00 177.57 177.04 1nwt h LYS 335 N 0.00 0.30 -0.65 5.19 3.64 -1.33 -0.66 116.57 123.05 1nwt h LYS 335 Ca -0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1nwt h LYS 335 Cb 0.19 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1nwt h LYS 335 CO 0.01 0.44 0.31 0.77 -2.27 0.00 0.00 179.45 178.71 1nwt h SER 336 N 0.11 0.86 -0.61 4.20 0.02 -1.11 -1.40 113.55 115.62 1nwt h SER 336 Ca 0.06 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1nwt h SER 336 Cb 0.27 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1nwt h SER 336 CO 0.00 0.75 0.34 0.11 -1.14 0.00 0.00 176.83 176.89 1nwt h LYS 337 N 0.91 0.87 -0.28 3.45 1.57 -0.90 -0.15 116.57 122.04 1nwt h LYS 337 Ca 0.22 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1nwt h LYS 337 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1nwt h LYS 337 CO -0.03 0.64 -0.11 0.28 -0.57 0.00 0.00 179.45 179.67 1nwt h VAL 338 N 0.87 1.29 -0.40 0.50 2.07 -0.66 -1.52 116.25 118.41 1nwt h VAL 338 Ca 0.22 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.66 1nwt h VAL 338 Cb 0.03 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1nwt h VAL 338 CO -0.04 0.37 -0.13 -0.61 0.02 0.00 0.00 177.57 177.18 1nwt h GLN 339 N 0.30 -0.05 0.01 1.57 5.75 -0.56 0.29 115.11 122.43 1nwt h GLN 339 Ca 0.06 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1nwt h GLN 339 Cb 0.60 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 1nwt h GLN 339 CO 0.03 -0.03 -0.20 -0.92 -2.65 0.00 0.00 178.83 175.07 1nwt h TYR 340 N -0.05 -0.51 -0.44 3.99 3.20 -0.85 0.23 116.97 122.54 1nwt h TYR 340 Ca 0.19 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1nwt h TYR 340 Cb 0.34 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1nwt h TYR 340 CO -0.38 -0.28 0.22 1.37 -1.64 0.00 0.00 178.16 177.45 1nwt h LEU 341 N -0.32 0.54 -0.19 2.82 8.10 -0.55 -0.96 115.31 124.75 1nwt h LEU 341 Ca 0.05 -0.04 -0.12 0.00 0.11 0.00 0.00 57.88 57.89 1nwt h LEU 341 Cb 0.39 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1nwt h LEU 341 CO -0.17 0.45 -0.35 0.11 -4.11 0.00 0.00 178.44 174.37 1nwt h LYS 342 N 0.61 0.57 0.00 0.17 1.57 -0.55 -0.65 116.57 118.29 1nwt h LYS 342 Ca 0.16 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1nwt h LYS 342 Cb 0.05 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1nwt h LYS 342 CO -0.02 0.97 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.39 1nwt h ASP 343 N 0.24 0.00 0.50 0.86 3.32 -0.45 0.30 116.42 121.18 1nwt h ASP 343 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nwt h ASP 343 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1nwt h ASP 343 CO 0.08 0.00 -0.41 0.54 -1.72 0.00 0.00 179.24 177.73 1nwt n ARG 344 N -4.02 0.15 -3.48 3.56 5.12 -0.41 -4.97 116.66 112.61 1nwt n ARG 344 Ca -0.03 -0.08 -0.20 0.00 -1.93 0.00 0.00 57.85 55.61 1nwt n ARG 344 Cb 0.08 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 29.97 1nwt n ARG 344 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nwt n GLN 345 N -1.36 -7.12 -2.21 5.56 6.02 0.10 -4.97 117.38 113.41 1nwt n GLN 345 Ca 0.07 0.80 -0.27 0.00 -0.01 0.00 0.00 57.00 57.60 1nwt n GLN 345 Cb 0.34 -5.74 0.06 0.00 1.02 0.00 0.00 30.24 25.91 1nwt n GLN 345 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nwt s LEU 346 N -6.69 2.93 0.49 1.08 1.43 -0.56 -4.15 118.68 113.20 1nwt s LEU 346 Ca 0.33 0.61 0.20 0.00 -1.03 0.00 0.00 54.13 54.24 1nwt s LEU 346 Cb -0.14 -3.31 1.24 0.00 0.03 0.00 0.00 46.19 44.01 1nwt s LEU 346 CO 0.70 -1.44 2.05 0.00 0.23 0.00 0.00 176.35 177.89 1nwt h ALA 347 N -0.51 1.55 0.00 4.21 0.00 0.11 -3.46 119.26 121.16 1nwt h ALA 347 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1nwt h ALA 347 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nwt h ALA 347 CO 0.61 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1nwt n GLY 348 N -0.96 0.08 3.52 0.00 0.00 -1.23 -1.00 105.19 105.61 1nwt n GLY 348 Ca -0.02 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1nwt n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwt s ALA 349 N -1.00 2.80 -0.04 4.61 0.00 -0.97 -1.04 121.76 126.12 1nwt s ALA 349 Ca 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.50 1nwt s ALA 349 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1nwt s ALA 349 CO 0.00 0.45 -0.24 1.41 0.00 0.00 0.00 175.76 177.39 1nwt s MET 350 N -2.77 2.17 -0.09 0.00 0.00 0.44 -1.84 119.30 117.21 1nwt s MET 350 Ca 0.23 -0.85 0.04 0.00 0.00 0.00 0.00 55.69 55.11 1nwt s MET 350 Cb -0.08 -1.96 -0.01 0.00 0.00 0.00 0.00 34.83 32.77 1nwt s MET 350 CO 0.13 0.44 -0.21 0.08 0.00 0.00 0.00 175.02 175.46 1nwt s VAL 351 N -0.35 2.38 -0.24 10.11 1.01 0.85 0.51 120.40 134.67 1nwt s VAL 351 Ca 0.03 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1nwt s VAL 351 Cb -0.11 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.42 1nwt s VAL 351 CO 0.01 0.56 0.03 0.86 0.00 0.00 0.00 175.10 176.56 1nwt s TRP 352 N 0.12 1.59 0.12 5.22 -0.11 -1.08 -1.80 118.94 122.99 1nwt s TRP 352 Ca -0.10 -1.37 -0.01 0.00 1.22 0.00 0.00 56.10 55.84 1nwt s TRP 352 Cb -0.16 -1.39 -0.04 0.00 -1.50 0.00 0.00 33.47 30.38 1nwt s TRP 352 CO 0.06 -0.74 0.05 0.00 -4.62 0.00 0.00 176.95 171.70 1nwt s ALA 353 N 1.66 0.80 0.43 5.86 0.00 -1.26 -1.71 121.76 127.55 1nwt s ALA 353 Ca 0.01 -1.43 0.15 0.00 0.00 0.00 0.00 51.96 50.69 1nwt s ALA 353 Cb -0.18 0.78 1.04 0.00 0.00 0.00 0.00 23.12 24.77 1nwt s ALA 353 CO -0.13 -0.47 1.96 -0.07 0.00 0.00 0.00 175.76 177.04 1nwt h LEU 354 N 2.91 0.37 -0.35 0.00 3.38 -1.01 -0.37 115.31 120.23 1nwt h LEU 354 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nwt h LEU 354 Cb 1.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1nwt h LEU 354 CO 0.60 0.21 0.00 -0.90 0.09 0.00 0.00 178.44 178.44 1nwt n ASP 355 N -4.47 0.53 -0.00 -0.43 5.68 -1.26 -3.04 116.55 113.56 1nwt n ASP 355 Ca 0.12 -1.44 0.06 0.00 -0.50 0.00 0.00 54.79 53.03 1nwt n ASP 355 Cb 0.44 -0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.31 1nwt n ASP 355 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1nwt n LEU 356 N -0.47 0.23 -4.85 -2.12 4.77 -0.17 -4.90 117.00 109.50 1nwt n LEU 356 Ca 0.16 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1nwt n LEU 356 Cb 0.16 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1nwt n LEU 356 CO 0.13 0.06 0.77 -0.62 -1.33 0.00 0.00 177.39 176.39 1nwt s ASP 357 N -2.89 3.73 -1.29 -1.43 -1.08 -1.09 -0.82 116.67 111.79 1nwt s ASP 357 Ca -0.01 0.77 -0.17 0.00 -0.52 0.00 0.00 52.55 52.61 1nwt s ASP 357 Cb 0.08 -1.21 0.09 0.00 -1.46 0.00 0.00 42.92 40.42 1nwt s ASP 357 CO 0.51 -2.39 1.69 -0.62 0.52 0.00 0.00 175.17 174.88 1nwt s ASP 358 N -4.38 6.88 0.44 -0.34 2.15 -1.26 -4.58 116.67 115.57 1nwt s ASP 358 Ca 0.65 -2.53 0.23 0.00 0.43 0.00 0.00 52.55 51.32 1nwt s ASP 358 Cb -0.11 -2.55 0.95 0.00 -0.30 0.00 0.00 42.92 40.91 1nwt s ASP 358 CO 0.52 -1.11 1.85 2.19 -0.17 0.00 0.00 175.17 178.45 1nwt h PHE 359 N 7.51 0.00 0.01 -5.34 -0.00 -1.91 0.93 116.94 118.14 1nwt h PHE 359 Ca 0.43 0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 58.20 1nwt h PHE 359 Cb 0.87 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.80 1nwt h PHE 359 CO 1.38 0.25 -0.91 1.96 -0.00 0.00 0.00 178.31 180.99 1nwt h GLN 360 N 0.00 0.08 -0.03 6.09 1.08 -1.90 -3.40 115.11 117.02 1nwt h GLN 360 Ca -0.00 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1nwt h GLN 360 Cb 0.70 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1nwt h GLN 360 CO 0.03 0.93 -0.01 0.41 -0.95 0.00 0.00 178.83 179.24 1nwt n GLY 361 N 1.01 0.39 0.00 3.46 0.00 -0.95 -4.76 105.19 104.33 1nwt n GLY 361 Ca -0.02 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1nwt n GLY 361 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwt n SER 362 N -0.23 0.83 0.04 1.61 3.41 -1.26 -3.41 113.62 114.61 1nwt n SER 362 Ca -0.01 -0.78 -0.20 0.00 -0.26 0.00 0.00 58.87 57.62 1nwt n SER 362 Cb 0.18 1.11 -0.14 0.00 -0.26 0.00 0.00 64.21 65.10 1nwt n SER 362 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1nwt h PHE 363 N 0.00 0.53 -0.43 7.33 -1.00 -1.90 -3.37 116.94 118.10 1nwt h PHE 363 Ca 0.00 -0.39 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1nwt h PHE 363 Cb 0.47 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1nwt h PHE 363 CO 0.00 1.61 0.00 0.00 -1.61 0.00 0.00 178.31 178.31 1nwt n GLY 365 N 1.42 -1.99 3.70 0.00 0.00 -1.26 -4.89 105.19 102.18 1nwt n GLY 365 Ca 0.19 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1nwt n GLY 365 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwt n GLN 366 N -0.90 0.00 -0.78 1.61 1.13 -1.26 -3.68 117.38 113.50 1nwt n GLN 366 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1nwt n GLN 366 Cb 0.05 -3.35 -0.01 0.00 0.11 0.00 0.00 30.24 27.04 1nwt n GLN 366 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nwt n ASP 367 N 0.00 -3.37 -4.73 1.08 8.00 -1.22 -4.90 116.55 111.42 1nwt n ASP 367 Ca 0.00 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 1nwt n ASP 367 Cb 0.00 -2.43 -0.05 0.00 -0.02 0.00 0.00 41.12 38.62 1nwt n ASP 367 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nwt s LEU 368 N -0.95 4.36 0.21 0.64 2.96 -1.24 -4.85 118.68 119.81 1nwt s LEU 368 Ca 0.00 1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.05 1nwt s LEU 368 Cb 0.00 -3.11 -0.07 0.00 0.50 0.00 0.00 46.19 43.51 1nwt s LEU 368 CO 0.00 -0.06 0.57 -0.13 -1.32 0.00 0.00 176.35 175.41 1nwt s ARG 369 N 0.47 3.89 -1.28 1.98 0.52 -1.26 -4.16 118.95 119.11 1nwt s ARG 369 Ca 0.37 0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 55.89 1nwt s ARG 369 Cb -0.19 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.55 1nwt s ARG 369 CO 0.19 0.36 0.62 1.19 0.02 0.00 0.00 175.30 177.68 1nwt n PHE 370 N 0.21 -1.78 -0.16 -0.53 3.72 0.28 -4.77 117.46 114.42 1nwt n PHE 370 Ca -0.01 0.62 -0.03 0.00 -0.05 0.00 0.00 57.45 57.98 1nwt n PHE 370 Cb 0.52 -3.67 0.07 0.00 -0.94 0.00 0.00 39.48 35.46 1nwt n PHE 370 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nwt h PRO 371 N -1.88 0.34 -0.09 -1.08 0.13 -1.75 0.23 132.00 127.89 1nwt h PRO 371 Ca -0.64 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1nwt h PRO 371 Cb 1.37 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1nwt h PRO 371 CO 0.55 0.22 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.45 1nwt h LEU 372 N 0.35 0.19 -0.55 1.56 3.38 -1.94 -0.47 115.31 117.83 1nwt h LEU 372 Ca 0.25 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1nwt h LEU 372 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1nwt h LEU 372 CO -0.26 0.53 0.13 0.74 0.09 0.00 0.00 178.44 179.67 1nwt h THR 373 N -0.16 1.25 -0.52 0.22 2.02 -1.91 -1.27 112.91 112.53 1nwt h THR 373 Ca 0.02 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 1nwt h THR 373 Cb 0.45 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1nwt h THR 373 CO 0.01 0.32 0.09 0.78 0.37 0.00 0.00 175.52 177.09 1nwt h ASN 374 N 0.77 0.77 -0.82 4.18 2.35 -0.56 0.45 115.58 122.73 1nwt h ASN 374 Ca 0.17 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1nwt h ASN 374 Cb 0.35 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1nwt h ASN 374 CO 0.00 0.79 0.42 0.00 -1.65 0.00 0.00 177.43 176.98 1nwt h ALA 375 N 1.31 1.18 -0.28 -0.83 0.00 -0.63 0.11 119.26 120.12 1nwt h ALA 375 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nwt h ALA 375 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nwt h ALA 375 CO 0.01 0.64 -0.10 0.82 0.00 0.00 0.00 179.25 180.62 1nwt h ILE 376 N 1.17 1.29 -0.05 0.00 2.04 -0.49 -1.81 117.51 119.65 1nwt h ILE 376 Ca 0.29 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1nwt h ILE 376 Cb 0.08 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1nwt h ILE 376 CO -0.04 0.37 -0.01 0.50 0.00 0.00 0.00 178.15 178.97 1nwt h LYS 377 N 0.31 0.01 -0.35 2.37 3.64 -0.51 -1.47 116.57 120.56 1nwt h LYS 377 Ca 0.07 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1nwt h LYS 377 Cb 0.59 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1nwt h LYS 377 CO 0.03 0.00 0.11 -0.44 -2.27 0.00 0.00 179.45 176.89 1nwt h ASP 378 N 0.01 0.11 -0.84 4.20 3.32 -0.76 -2.28 116.42 120.17 1nwt h ASP 378 Ca 0.02 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1nwt h ASP 378 Cb 0.03 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1nwt h ASP 378 CO -0.05 0.10 0.56 0.00 -1.72 0.00 0.00 179.24 178.12 1nwt h ALA 379 N 1.23 1.46 -0.32 3.45 0.00 -1.05 -1.00 119.26 123.03 1nwt h ALA 379 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nwt h ALA 379 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1nwt h ALA 379 CO -0.18 0.47 -0.09 -0.07 0.00 0.00 0.00 179.25 179.38 1nwt h LEU 380 N 1.07 0.51 0.00 0.00 3.38 -0.71 -2.85 115.31 116.70 1nwt h LEU 380 Ca 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1nwt h LEU 380 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1nwt h LEU 380 CO -0.09 0.64 -0.50 0.00 0.09 0.00 0.00 178.44 178.58 1nwt h ALA 381 N 1.42 0.77 -2.07 1.53 0.00 -1.01 -3.47 119.26 116.42 1nwt h ALA 381 Ca 0.10 -0.11 -0.42 0.00 0.00 0.00 0.00 54.91 54.48 1nwt h ALA 381 Cb 0.45 0.01 0.22 0.00 0.00 0.00 0.00 17.79 18.48 1nwt h ALA 381 CO 0.02 0.14 -0.07 0.00 0.00 0.00 0.00 179.25 179.34 1nwt n ALA 382 N -2.16 -3.68 -0.79 0.00 0.00 -0.44 -5.11 120.51 108.33 1nwt n ALA 382 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1nwt n ALA 382 Cb 0.58 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1nwt n ALA 382 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91