#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 4.38 -0.52 -0.72 1.02 0.06 -4.96 119.74 119.00 1nwt s LYS 23 Ca 0.00 0.99 0.04 0.00 0.02 0.00 0.00 55.97 57.01 1nwt s LYS 23 Cb 0.00 -3.05 0.15 0.00 -0.52 0.00 0.00 37.83 34.41 1nwt s LYS 23 CO 0.00 0.48 0.34 -1.17 -0.92 0.00 0.00 175.35 174.08 1nwt s LEU 24 N -1.59 3.19 -0.23 3.17 2.96 -1.26 -2.16 118.68 122.76 1nwt s LEU 24 Ca 0.39 -3.14 -0.29 0.00 -0.22 0.00 0.00 54.13 50.87 1nwt s LEU 24 Cb -0.19 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.37 1nwt s LEU 24 CO 0.23 -0.18 1.11 -0.69 -1.32 0.00 0.00 176.35 175.49 1nwt s VAL 25 N -0.33 4.54 -0.07 1.68 1.01 -0.61 -2.02 120.40 124.60 1nwt s VAL 25 Ca 0.23 1.85 0.05 0.00 0.00 0.00 0.00 61.98 64.11 1nwt s VAL 25 Cb -0.12 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1nwt s VAL 25 CO -0.10 -0.22 -0.24 0.00 0.00 0.00 0.00 175.10 174.54 1nwt s TYR 27 N 0.04 3.54 -0.05 0.00 2.02 -0.63 0.45 117.35 122.73 1nwt s TYR 27 Ca -0.09 0.75 0.02 0.00 -0.37 0.00 0.00 57.07 57.38 1nwt s TYR 27 Cb -0.15 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 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 -1.50 1.09 -0.16 2.71 5.04 -0.03 -0.51 117.35 123.99 1nwt s TYR 28 Ca 0.36 -0.35 -0.08 0.00 -2.44 0.00 0.00 57.07 54.56 1nwt s TYR 28 Cb -0.13 -0.84 -0.04 0.00 0.35 0.00 0.00 41.96 41.29 1nwt s TYR 28 CO 0.20 -0.21 0.12 0.95 -1.34 0.00 0.00 175.55 175.26 1nwt s THR 29 N 0.67 5.29 0.13 4.34 -4.23 -1.26 -0.81 115.64 119.76 1nwt s THR 29 Ca -0.12 0.14 0.34 0.00 -1.18 0.00 0.00 61.69 60.87 1nwt s THR 29 Cb -0.14 -3.35 0.36 0.00 1.34 0.00 0.00 72.50 70.71 1nwt s THR 29 CO 0.02 0.53 2.01 0.77 -0.54 0.00 0.00 174.62 177.41 1nwt h SER 30 N 5.87 0.00 0.18 3.99 4.64 -0.99 -2.93 113.55 124.30 1nwt h SER 30 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1nwt h SER 30 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1nwt h SER 30 CO 0.66 0.00 -0.27 -2.67 -0.87 0.00 0.00 176.83 173.69 1nwt n TRP 31 N -2.82 0.00 0.39 4.77 2.14 -1.26 -3.99 117.44 116.66 1nwt n TRP 31 Ca -0.00 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.70 1nwt n TRP 31 Cb 0.18 -0.09 0.51 0.00 -0.81 0.00 0.00 31.31 31.10 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 1.51 0.00 0.24 -0.67 4.64 -1.79 -2.94 113.55 114.54 1nwt h SER 32 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1nwt h SER 32 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1nwt h SER 32 CO 0.00 0.00 -0.20 0.06 -0.87 0.00 0.00 176.83 175.82 1nwt h GLN 33 N 0.00 0.00 -0.05 4.77 3.07 -1.67 -1.91 115.11 119.31 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1nwt h GLN 33 CO 0.00 0.20 0.00 0.66 0.09 0.00 0.00 178.83 179.78 1nwt n TYR 34 N -4.18 0.07 -2.60 0.06 4.01 -1.11 -4.41 117.16 109.00 1nwt n TYR 34 Ca -0.02 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.28 1nwt n TYR 34 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 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 4.67 0.53 -0.72 0.52 -1.06 -4.94 118.95 116.00 1nwt s ARG 35 Ca 0.31 1.63 -0.19 0.00 -0.52 0.00 0.00 55.73 56.97 1nwt s ARG 35 Cb 0.15 -3.29 -0.11 0.00 0.52 0.00 0.00 34.95 32.23 1nwt s ARG 35 CO 0.25 0.19 0.39 0.39 0.02 0.00 0.00 175.30 176.54 1nwt n GLU 36 N 2.20 0.41 0.00 3.54 1.02 -1.26 -1.36 120.64 125.19 1nwt n GLU 36 Ca 0.01 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1nwt n GLU 36 Cb 0.47 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.94 1.37 0.00 0.62 0.00 -1.26 0.12 105.19 107.97 1nwt n GLY 37 Ca 0.11 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 0.93 0.00 0.15 1.61 8.00 -1.26 -1.98 116.55 124.00 1nwt n ASP 38 Ca 0.00 0.34 0.02 0.00 0.71 0.00 0.00 54.79 55.86 1nwt n ASP 38 Cb 0.00 -0.39 0.18 0.00 -0.02 0.00 0.00 41.12 40.89 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 1.24 0.00 -4.80 0.44 0.00 -0.51 -3.45 103.07 96.00 1nwt h GLY 39 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 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 -6.57 6.46 -0.08 0.19 0.15 -0.47 -4.61 113.70 108.78 1nwt s SER 40 Ca 0.01 2.73 -0.00 0.00 0.70 0.00 0.00 55.95 59.38 1nwt s SER 40 Cb 0.11 -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 -0.04 0.00 1.20 0.00 0.00 173.24 174.18 1nwt s PHE 42 N 1.55 2.79 0.48 0.00 0.40 -1.26 -3.13 117.98 118.81 1nwt s PHE 42 Ca -0.00 -0.16 0.29 0.00 -0.60 0.00 0.00 56.93 56.46 1nwt s PHE 42 Cb -0.13 -1.36 1.36 0.00 0.51 0.00 0.00 43.02 43.40 1nwt s PHE 42 CO -0.04 0.51 1.78 -1.35 0.70 0.00 0.00 175.22 176.83 1nwt h PRO 43 N 2.79 0.16 0.00 0.24 0.11 -1.89 0.11 132.00 133.52 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 32.28 1nwt h PRO 43 CO 0.57 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1nwt n ASP 44 N -4.39 0.00 -0.52 -2.05 5.75 -1.26 -1.80 116.55 112.28 1nwt n ASP 44 Ca 0.26 0.03 0.13 0.00 -0.01 0.00 0.00 54.79 55.20 1nwt n ASP 44 Cb 1.10 -0.29 0.37 0.00 -1.03 0.00 0.00 41.12 41.27 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 -1.29 2.74 -2.38 2.12 0.00 0.39 -4.90 120.51 117.19 1nwt n ALA 45 Ca 0.09 -0.50 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 1nwt n ALA 45 Cb 0.16 -1.06 -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 -2.15 4.46 -0.29 0.00 1.43 -0.75 -5.01 118.68 116.37 1nwt s LEU 46 Ca 0.32 1.30 -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 0.39 0.12 1.43 -0.62 0.23 0.00 0.00 176.35 177.90 1nwt s ASP 47 N -0.41 6.51 0.52 2.29 -1.08 -1.26 -4.89 116.67 118.34 1nwt s ASP 47 Ca 0.33 1.29 0.35 0.00 -0.52 0.00 0.00 52.55 53.99 1nwt s ASP 47 Cb -0.19 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.48 1nwt s ASP 47 CO 0.20 -1.21 2.05 0.08 0.52 0.00 0.00 175.17 176.81 1nwt h ARG 48 N 10.07 0.00 -0.01 4.34 0.11 -1.96 -2.60 114.38 124.33 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 -0.53 1.19 0.10 0.00 0.00 179.97 181.76 1nwt n PHE 49 N -2.79 0.00 0.22 4.08 3.72 -1.26 -4.62 117.46 116.81 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 1.60 -0.46-10.15 4.37 5.85 -1.87 -3.46 115.31 111.19 1nwt h LEU 50 Ca 0.00 -0.07 -0.52 0.00 0.84 0.00 0.00 57.88 58.13 1nwt h LEU 50 Cb 0.60 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1nwt h LEU 50 CO 0.00 -0.21 -0.39 0.00 -0.34 0.00 0.00 178.44 177.51 1nwt n THR 52 N -1.53 1.44 -3.91 0.00 -2.24 -0.86 -4.86 114.28 102.32 1nwt n THR 52 Ca 0.02 -0.84 -0.18 0.00 -2.27 0.00 0.00 64.05 60.79 1nwt n THR 52 Cb 0.63 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.36 -0.21 4.78 3.76 -1.13 -1.01 115.29 119.33 1nwt s HIS 53 Ca -0.10 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1nwt s HIS 53 Cb 0.06 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.30 1nwt s HIS 53 CO 0.82 -0.16 -0.12 0.42 -0.85 0.00 0.00 174.74 174.86 1nwt s ILE 54 N 1.17 2.63 -0.19 0.60 1.01 -0.58 0.35 121.20 126.19 1nwt s ILE 54 Ca -0.08 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1nwt s ILE 54 Cb -0.13 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1nwt s ILE 54 CO -0.02 0.39 0.08 -0.63 0.00 0.00 0.00 174.94 174.76 1nwt s ILE 55 N 1.34 4.93 -0.09 2.92 1.01 0.17 -2.40 121.20 129.08 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 0.45 0.70 -0.47 0.00 0.00 0.00 174.94 175.55 1nwt s TYR 56 N 0.41 3.55 -0.08 3.97 5.04 0.20 -0.85 117.35 129.58 1nwt s TYR 56 Ca 0.04 1.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.92 1nwt s TYR 56 Cb -0.12 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.38 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 0.86 2.15 0.22 4.32 0.01 0.01 -0.44 113.70 120.82 1nwt s SER 57 Ca 0.37 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.28 1nwt s SER 57 Cb -0.17 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1nwt s SER 57 CO 0.17 0.05 0.02 -0.36 0.41 0.00 0.00 173.24 173.53 1nwt s PHE 58 N 0.70 1.42 0.18 2.43 0.08 -1.26 -0.24 117.98 121.30 1nwt s PHE 58 Ca -0.13 -1.02 -0.01 0.00 0.12 0.00 0.00 56.93 55.89 1nwt s PHE 58 Cb -0.16 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 1nwt s PHE 58 CO 0.03 -0.17 0.37 0.00 -0.10 0.00 0.00 175.22 175.35 1nwt s ALA 59 N -3.59 3.85 0.58 5.36 0.00 0.11 -4.54 121.76 123.52 1nwt s ALA 59 Ca 0.29 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.52 1nwt s ALA 59 Cb 0.06 -1.98 0.08 0.00 0.00 0.00 0.00 23.12 21.29 1nwt s ALA 59 CO 0.08 0.48 0.75 1.21 0.00 0.00 0.00 175.76 178.28 1nwt s ASN 60 N -3.08 5.00 -0.23 0.00 2.47 0.40 -3.70 114.94 115.80 1nwt s ASN 60 Ca 0.38 -0.94 -0.04 0.00 0.42 0.00 0.00 52.86 52.68 1nwt s ASN 60 Cb -0.11 0.38 0.08 0.00 -1.45 0.00 0.00 41.25 40.14 1nwt s ASN 60 CO 0.29 -1.34 0.10 -0.63 -3.72 0.00 0.00 177.10 171.79 1nwt s ILE 61 N -2.70 0.04 -0.09 -5.21 1.01 -1.26 -1.18 121.20 111.81 1nwt s ILE 61 Ca 0.58 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1nwt s ILE 61 Cb -0.05 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 1nwt s ILE 61 CO 0.36 -0.48 -0.24 -0.44 0.00 0.00 0.00 174.94 174.15 1nwt s SER 62 N 2.06 3.12 -1.53 3.58 0.01 -0.23 -4.67 113.70 116.04 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 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.79 1nwt s SER 62 CO -0.21 0.18 0.66 0.59 0.41 0.00 0.00 173.24 174.87 1nwt n ASN 63 N 3.39 -6.01 -1.29 2.44 3.02 -1.26 -1.07 115.26 114.49 1nwt n ASN 63 Ca -0.19 -0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 53.88 1nwt n ASN 63 Cb 0.53 -4.85 -0.06 0.00 -0.61 0.00 0.00 39.78 34.79 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 -2.57 -4.92 -4.35 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 55.45 1nwt n ASP 64 Cb 0.61 -3.86 -0.15 0.00 -0.02 0.00 0.00 41.12 37.70 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 2.41 0.31 1.24 3.76 -0.23 -1.43 115.29 118.73 1nwt s HIS 65 Ca 0.00 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.24 1nwt s HIS 65 Cb 0.00 -1.52 -0.10 0.00 1.11 0.00 0.00 32.58 32.07 1nwt s HIS 65 CO 0.00 0.02 1.23 -1.50 -0.85 0.00 0.00 174.74 173.64 1nwt s ILE 66 N -0.65 3.03 0.21 0.60 2.07 -1.26 -1.07 121.20 124.12 1nwt s ILE 66 Ca 0.10 1.03 -0.14 0.00 -1.41 0.00 0.00 60.65 60.23 1nwt s ILE 66 Cb -0.10 -3.65 0.01 0.00 0.13 0.00 0.00 42.46 38.85 1nwt s ILE 66 CO -0.00 0.24 0.47 -0.62 -1.91 0.00 0.00 174.94 173.11 1nwt s ASP 67 N -0.60 -0.14 0.95 4.50 2.15 -0.32 -4.86 116.67 118.35 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 -0.37 0.56 0.16 0.00 -0.30 0.00 0.00 42.92 42.97 1nwt s ASP 67 CO 0.48 -1.06 1.10 0.42 -0.17 0.00 0.00 175.17 175.94 1nwt s THR 68 N -3.94 2.34 0.03 1.71 -4.23 -1.26 -0.45 115.64 109.85 1nwt s THR 68 Ca 0.15 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1nwt s THR 68 Cb -0.00 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1nwt s THR 68 CO 0.02 -0.15 -0.04 1.87 -0.54 0.00 0.00 174.62 175.79 1nwt n TRP 69 N -4.24 0.00 -2.77 3.99 -0.00 -1.26 -4.24 117.44 108.92 1nwt n TRP 69 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.26 1nwt n TRP 69 Cb 0.53 -0.07 -0.05 0.00 -0.00 0.00 0.00 31.31 31.72 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 -2.08 3.98 0.40 5.87 2.56 -1.26 -4.97 118.70 123.20 1nwt s GLU 70 Ca -0.03 0.81 0.07 0.00 0.00 0.00 0.00 54.97 55.81 1nwt s GLU 70 Cb 0.01 -2.27 0.83 0.00 2.00 0.00 0.00 34.13 34.70 1nwt s GLU 70 CO 0.05 -0.06 2.04 0.11 -0.56 0.00 0.00 175.26 176.84 1nwt h TRP 71 N 1.52 0.52 -0.44 5.30 5.08 -2.00 -2.76 115.95 123.17 1nwt h TRP 71 Ca -0.48 0.01 -0.06 0.00 1.08 0.00 0.00 58.89 59.44 1nwt h TRP 71 Cb 1.18 -0.17 -0.04 0.00 -3.00 0.00 0.00 29.16 27.13 1nwt h TRP 71 CO 0.62 0.35 0.05 0.27 -1.28 0.00 0.00 178.44 178.45 1nwt n ASN 72 N -4.46 4.35 -0.13 0.11 6.94 -1.26 -4.72 115.26 116.10 1nwt n ASN 72 Ca 0.03 -3.12 -0.04 0.00 -0.02 0.00 0.00 54.58 51.43 1nwt n ASN 72 Cb 0.07 -0.63 0.03 0.00 -2.36 0.00 0.00 39.78 36.89 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 2.38 -0.30 -0.94 0.53 3.32 -1.88 -1.41 116.42 118.12 1nwt h ASP 73 Ca 0.08 0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.43 1nwt h ASP 73 Cb 1.77 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 41.43 1nwt h ASP 73 CO 0.41 -0.10 0.52 0.58 -1.72 0.00 0.00 179.24 178.93 1nwt h VAL 74 N 0.04 0.65 -0.25 -1.35 2.07 -1.85 0.85 116.25 116.42 1nwt h VAL 74 Ca 0.20 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1nwt h VAL 74 Cb 0.31 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1nwt h VAL 74 CO -0.39 0.12 -0.12 0.74 0.02 0.00 0.00 177.57 177.94 1nwt h THR 75 N 0.64 1.30 -0.12 2.57 2.02 -1.66 -2.58 112.91 115.08 1nwt h THR 75 Ca 0.55 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 1nwt h THR 75 Cb 0.90 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1nwt h THR 75 CO -0.41 0.37 -0.38 -0.07 0.37 0.00 0.00 175.52 175.40 1nwt h LEU 76 N 0.24 0.26 0.40 2.58 3.38 -0.17 0.15 115.31 122.15 1nwt h LEU 76 Ca 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nwt h LEU 76 Cb 0.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1nwt h LEU 76 CO 0.04 0.62 -0.31 1.88 0.09 0.00 0.00 178.44 180.76 1nwt h TYR 77 N 0.22 -0.83 -0.93 1.13 0.05 0.74 0.60 116.97 117.95 1nwt h TYR 77 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1nwt h TYR 77 Cb 0.77 0.31 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 1nwt h TYR 77 CO 0.01 -0.46 0.60 0.78 -1.05 0.00 0.00 178.16 178.04 1nwt h GLY 78 N -0.71 1.33 1.86 3.88 0.00 -1.27 0.92 103.07 109.08 1nwt h GLY 78 Ca -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1nwt h GLY 78 CO -0.01 0.51 0.06 1.98 0.00 0.00 0.00 176.54 179.08 1nwt h MET 79 N 1.28 0.19 0.04 4.80 -1.53 -0.45 -0.88 114.93 118.37 1nwt h MET 79 Ca 0.34 -0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.51 1nwt h MET 79 Cb -0.11 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 30.90 1nwt h MET 79 CO -0.07 0.16 -0.36 1.25 0.14 0.00 0.00 176.91 178.03 1nwt h LEU 80 N 0.19 0.13 -0.03 3.39 5.85 0.27 -3.33 115.31 121.78 1nwt h LEU 80 Ca 0.05 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1nwt h LEU 80 Cb 0.04 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1nwt h LEU 80 CO -0.01 1.16 0.00 0.59 -0.34 0.00 0.00 178.44 179.84 1nwt n ASN 81 N -4.45 0.02 0.19 1.25 3.02 0.21 -1.69 115.26 113.82 1nwt n ASN 81 Ca -0.13 0.51 0.07 0.00 -0.03 0.00 0.00 54.58 55.00 1nwt n ASN 81 Cb 0.60 -0.51 0.31 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.65 0.00 3.41 2.02 -1.27 -2.67 112.91 115.06 1nwt h THR 82 Ca 0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 1nwt h THR 82 Cb 0.20 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1nwt h THR 82 CO 0.00 0.30 0.00 -0.07 0.37 0.00 0.00 175.52 176.12 1nwt h LEU 83 N 0.00 0.00 -0.03 2.58 3.38 -1.50 -1.13 115.31 118.61 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 -2.94 0.13 0.36 1.13 5.02 -1.00 -3.63 118.16 117.24 1nwt n LYS 84 Ca -0.02 0.13 -0.18 0.00 -2.02 0.00 0.00 58.31 56.22 1nwt n LYS 84 Cb 0.11 -1.66 -0.09 0.00 -0.02 0.00 0.00 35.03 33.37 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 -0.76 0.48 4.39 2.35 -1.38 -2.98 115.58 117.68 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 39.16 1nwt h ASN 85 CO 0.00 -0.52 -0.09 0.54 -1.65 0.00 0.00 177.43 175.71 1nwt n ARG 86 N -5.46 0.52 -3.47 0.81 1.74 -1.26 -4.38 116.66 105.16 1nwt n ARG 86 Ca -0.13 -0.13 -0.28 0.00 -0.77 0.00 0.00 57.85 56.54 1nwt n ARG 86 Cb 0.37 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.57 2.10 0.56 0.55 3.84 -1.13 -5.00 114.94 113.30 1nwt s ASN 87 Ca 0.27 -3.02 0.27 0.00 0.21 0.00 0.00 52.86 50.59 1nwt s ASN 87 Cb 0.20 -0.59 1.49 0.00 -0.55 0.00 0.00 41.25 41.80 1nwt s ASN 87 CO 0.49 -0.18 1.99 -0.65 -2.79 0.00 0.00 177.10 175.96 1nwt h PRO 88 N 5.84 0.00 0.00 0.43 0.11 -1.74 -2.37 132.00 134.28 1nwt h PRO 88 Ca 0.21 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 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 -0.66 -0.91 -0.21 0.00 0.00 178.00 176.62 1nwt h ASN 89 N 0.00 0.00 -2.11 -2.05 4.21 -1.94 -3.45 115.58 110.23 1nwt h ASN 89 Ca 0.20 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 57.10 1nwt h ASN 89 Cb 0.93 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.17 1nwt h ASN 89 CO -0.00 0.66 0.87 -0.11 -1.29 0.00 0.00 177.43 177.56 1nwt n LEU 90 N -3.55 3.05 -4.74 1.61 7.94 -0.89 -4.96 117.00 115.45 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 0.70 -1.37 -0.07 0.00 0.53 0.00 0.00 43.42 43.20 1nwt n LEU 90 CO 0.42 -0.29 -0.28 -0.54 -1.11 0.00 0.00 177.39 175.59 1nwt s LYS 91 N 2.03 2.87 -0.00 1.96 3.01 -0.18 -4.91 119.74 124.52 1nwt s LYS 91 Ca 0.85 -0.62 0.06 0.00 -1.01 0.00 0.00 55.97 55.24 1nwt s LYS 91 Cb -0.73 -2.73 -0.02 0.00 -1.01 0.00 0.00 37.83 33.35 1nwt s LYS 91 CO 0.44 0.60 -0.17 0.99 0.51 0.00 0.00 175.35 177.72 1nwt s THR 92 N -1.23 1.38 0.06 2.17 2.01 -1.26 -1.52 115.64 117.24 1nwt s THR 92 Ca 0.24 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1nwt s THR 92 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1nwt s THR 92 CO 0.16 0.33 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.57 1nwt s LEU 93 N -0.57 2.31 -0.24 4.42 1.02 -1.01 0.62 118.68 125.24 1nwt s LEU 93 Ca 0.06 -0.65 -0.05 0.00 0.02 0.00 0.00 54.13 53.51 1nwt s LEU 93 Cb -0.07 -0.18 -0.01 0.00 0.02 0.00 0.00 46.19 45.95 1nwt s LEU 93 CO -0.00 -0.25 0.01 -0.22 0.02 0.00 0.00 176.35 175.91 1nwt s LEU 94 N -1.91 3.21 -0.03 1.79 2.96 -0.20 -0.63 118.68 123.88 1nwt s LEU 94 Ca -0.05 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 1nwt s LEU 94 Cb -0.07 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1nwt s LEU 94 CO -0.00 -0.05 0.45 -0.55 -1.32 0.00 0.00 176.35 174.87 1nwt s SER 95 N 1.51 6.80 -0.11 3.68 0.15 0.41 -1.07 113.70 125.09 1nwt s SER 95 Ca 0.05 0.96 0.03 0.00 0.70 0.00 0.00 55.95 57.68 1nwt s SER 95 Cb -0.15 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1nwt s SER 95 CO -0.00 0.22 -0.20 0.54 1.20 0.00 0.00 173.24 174.99 1nwt s VAL 96 N -0.56 2.38 0.00 4.45 0.11 0.39 0.04 120.40 127.21 1nwt s VAL 96 Ca 0.25 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1nwt s VAL 96 Cb -0.17 -1.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1nwt s VAL 96 CO 0.13 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 173.06 1nwt n GLY 97 N 3.50 0.25 0.00 6.54 0.00 -1.24 -0.92 105.19 113.32 1nwt n GLY 97 Ca -0.19 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 0.77 0.13 -0.02 0.00 0.65 -4.28 105.19 102.44 1nwt n GLY 98 Ca 0.00 -1.87 -0.11 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 0.34 0.00 1.61 2.91 -1.91 -2.82 115.95 116.08 1nwt h TRP 99 Ca 0.00 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 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 0.38 0.00 0.09 -1.03 0.00 0.00 178.44 177.88 1nwt n ASN 100 N -4.80 0.00 0.04 2.65 3.02 -1.26 -3.36 115.26 111.55 1nwt n ASN 100 Ca -0.03 -1.19 -0.20 0.00 -0.03 0.00 0.00 54.58 53.13 1nwt n ASN 100 Cb 0.13 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.57 -0.39 3.10 3.57 -1.68 -3.50 116.94 118.60 1nwt h PHE 101 Ca 0.00 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.11 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 1.28 0.00 0.41 -2.23 0.00 0.00 178.31 177.77 1nwt n GLY 102 N 1.55 -0.72 0.33 2.40 0.00 -1.21 -4.72 105.19 102.81 1nwt n GLY 102 Ca -0.13 -1.04 0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.17 1.61 4.64 -1.89 -2.98 113.55 114.76 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 -0.26 -0.29 4.77 1.08 -1.93 0.11 115.11 118.58 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 0.46 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1nwt h GLN 104 CO -0.00 -0.17 0.15 0.00 -0.95 0.00 0.00 178.83 177.85 1nwt h ARG 105 N -0.27 0.42 -0.70 1.46 3.08 -1.81 -2.87 114.38 113.69 1nwt h ARG 105 Ca 0.11 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1nwt h ARG 105 Cb 0.45 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1nwt h ARG 105 CO -0.33 0.39 0.45 0.74 -1.07 0.00 0.00 179.97 180.14 1nwt h PHE 106 N 0.35 0.84 0.10 3.04 0.04 -1.58 -3.05 116.94 116.68 1nwt h PHE 106 Ca 0.10 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.91 1nwt h PHE 106 Cb 0.10 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 1nwt h PHE 106 CO -0.02 0.50 -0.17 1.03 -0.60 0.00 0.00 178.31 179.05 1nwt h SER 107 N 0.89 -0.46 -0.35 2.17 0.87 -0.81 -1.56 113.55 114.30 1nwt h SER 107 Ca 0.27 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.98 1nwt h SER 107 Cb -0.02 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1nwt h SER 107 CO -0.09 -0.24 0.25 0.11 -0.53 0.00 0.00 176.83 176.33 1nwt h LYS 108 N -0.32 0.07 0.21 2.24 1.57 -1.41 0.32 116.57 119.25 1nwt h LYS 108 Ca 0.02 -0.00 -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 32.67 1nwt h LYS 108 CO -0.09 0.05 -1.30 0.82 -0.57 0.00 0.00 179.45 178.35 1nwt h ILE 109 N 0.08 1.31 0.00 1.86 2.04 -1.36 -2.92 117.51 118.52 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 0.56 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1nwt h ILE 109 CO -0.01 0.78 -0.28 0.00 0.00 0.00 0.00 178.15 178.64 1nwt h ALA 110 N 0.12 0.84 0.12 1.87 0.00 -0.96 -1.98 119.26 119.26 1nwt h ALA 110 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1nwt h ALA 110 Cb 2.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.80 1nwt h ALA 110 CO 0.22 0.00 -0.96 1.03 0.00 0.00 0.00 179.25 179.55 1nwt h SER 111 N 0.00 0.40 -3.06 0.00 0.87 -0.48 -3.45 113.55 107.83 1nwt h SER 111 Ca 0.00 -0.91 -0.57 0.00 -1.23 0.00 0.00 61.79 59.08 1nwt h SER 111 Cb 0.88 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 1nwt h SER 111 CO 0.00 1.44 0.78 0.21 -0.53 0.00 0.00 176.83 178.73 1nwt s ASN 112 N -6.95 7.08 0.43 6.23 3.84 -1.10 -4.94 114.94 119.53 1nwt s ASN 112 Ca -0.16 1.52 0.15 0.00 0.21 0.00 0.00 52.86 54.58 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 -0.65 1.95 0.74 -2.79 0.00 0.00 177.10 177.15 1nwt h THR 113 N 5.37 0.85 -0.03 -5.21 2.02 -1.86 -1.43 112.91 112.63 1nwt h THR 113 Ca -0.24 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 1nwt h THR 113 Cb 1.09 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1nwt h THR 113 CO 0.95 0.08 -0.30 1.56 0.37 0.00 0.00 175.52 178.18 1nwt h GLN 114 N 0.42 0.25 -0.60 6.66 7.50 -1.91 -3.12 115.11 124.30 1nwt h GLN 114 Ca 0.32 -0.23 -0.04 0.00 0.50 0.00 0.00 58.65 59.20 1nwt h GLN 114 Cb 0.67 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.23 1nwt h GLN 114 CO -0.09 0.92 0.22 0.77 -1.50 0.00 0.00 178.83 179.14 1nwt h SER 115 N -0.34 0.81 -0.63 1.46 0.02 -1.72 -1.56 113.55 111.59 1nwt h SER 115 Ca -0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1nwt h SER 115 Cb 1.00 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1nwt h SER 115 CO 0.06 0.74 0.40 -0.09 -1.14 0.00 0.00 176.83 176.80 1nwt h ARG 116 N 0.86 0.84 0.08 3.45 2.43 -0.46 0.55 114.38 122.12 1nwt h ARG 116 Ca 0.20 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1nwt h ARG 116 Cb 0.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1nwt h ARG 116 CO -0.02 0.57 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.89 1nwt h ARG 117 N 0.85 -0.10 -0.22 0.20 9.65 -1.39 -0.47 114.38 122.91 1nwt h ARG 117 Ca 0.23 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.17 1nwt h ARG 117 Cb -0.07 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.46 1nwt h ARG 117 CO -0.05 0.11 -0.23 1.15 2.80 0.00 0.00 179.97 183.75 1nwt h THR 118 N -0.30 0.41 0.29 0.20 2.02 -1.02 0.52 112.91 115.03 1nwt h THR 118 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1nwt h THR 118 Cb 0.26 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1nwt h THR 118 CO 0.02 0.00 -0.41 0.15 0.37 0.00 0.00 175.52 175.65 1nwt h PHE 119 N -0.25 -1.12 -0.42 3.16 3.57 0.30 -1.40 116.94 120.78 1nwt h PHE 119 Ca 0.13 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1nwt h PHE 119 Cb 0.45 0.45 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 1nwt h PHE 119 CO -0.38 -0.54 0.08 0.82 -2.23 0.00 0.00 178.31 176.07 1nwt h ILE 120 N -0.75 0.77 -0.65 1.41 2.04 -0.78 -2.00 117.51 117.55 1nwt h ILE 120 Ca -0.01 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1nwt h ILE 120 Cb 0.71 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1nwt h ILE 120 CO -0.13 0.04 0.43 0.50 0.00 0.00 0.00 178.15 178.99 1nwt h LYS 121 N 0.21 0.85 0.00 2.37 3.64 -0.70 -2.58 116.57 120.36 1nwt h LYS 121 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1nwt h LYS 121 Cb 0.26 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1nwt h LYS 121 CO -0.27 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.13 1nwt h SER 122 N 0.88 0.00 0.30 4.20 4.64 -0.51 -3.37 113.55 119.69 1nwt h SER 122 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1nwt h SER 122 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1nwt h SER 122 CO -0.05 0.00 -0.14 0.58 -0.87 0.00 0.00 176.83 176.35 1nwt h VAL 123 N 0.00 0.69 -0.26 0.95 2.07 -1.16 -3.05 116.25 115.49 1nwt h VAL 123 Ca 0.00 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 66.91 1nwt h VAL 123 Cb 0.66 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1nwt h VAL 123 CO 0.00 0.13 -0.20 -0.65 0.02 0.00 0.00 177.57 176.87 1nwt h PRO 124 N -0.79 -0.18 -0.29 1.57 0.11 -1.72 -0.88 132.00 129.82 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 0.51 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 1nwt h PRO 124 CO 0.07 -0.12 -0.04 -1.35 -0.21 0.00 0.00 178.00 176.35 1nwt h PRO 125 N -0.19 0.04 -0.92 1.05 0.11 -1.77 -0.60 132.00 129.72 1nwt h PRO 125 Ca 0.14 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.34 1nwt h PRO 125 Cb 0.40 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.43 1nwt h PRO 125 CO -0.37 0.03 0.57 0.35 -0.21 0.00 0.00 178.00 178.37 1nwt h PHE 126 N 0.04 1.05 -0.24 0.65 3.57 -1.34 0.26 116.94 120.94 1nwt h PHE 126 Ca 0.14 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1nwt h PHE 126 Cb 0.20 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1nwt h PHE 126 CO -0.25 0.48 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.88 1nwt h LEU 127 N 0.98 0.72 -0.44 0.59 3.38 -0.51 -2.50 115.31 117.54 1nwt h LEU 127 Ca 0.43 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1nwt h LEU 127 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1nwt h LEU 127 CO -0.22 1.10 -0.07 0.03 0.09 0.00 0.00 178.44 179.37 1nwt h ARG 128 N 0.37 0.82 -0.64 1.13 2.47 -0.69 0.11 114.38 117.94 1nwt h ARG 128 Ca 0.02 -0.30 0.04 0.00 -1.26 0.00 0.00 59.98 58.49 1nwt h ARG 128 Cb 0.95 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.17 1nwt h ARG 128 CO 0.08 0.92 0.42 1.15 0.56 0.00 0.00 179.97 183.10 1nwt h THR 129 N 0.65 1.07 -0.51 2.04 2.02 -0.49 -2.92 112.91 114.77 1nwt h THR 129 Ca 0.12 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1nwt h THR 129 Cb 0.59 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1nwt h THR 129 CO 0.04 0.13 0.00 1.41 0.37 0.00 0.00 175.52 177.47 1nwt n HIS 130 N -4.47 0.67 -1.80 3.16 8.25 -0.94 -4.99 115.22 115.10 1nwt n HIS 130 Ca 0.08 -0.47 -0.03 0.00 -0.26 0.00 0.00 57.72 57.03 1nwt n HIS 130 Cb 0.16 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 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 1.05 0.34 3.89 -1.41 0.00 -0.50 -4.67 105.19 103.89 1nwt n GLY 131 Ca 0.17 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.16 3.49 -0.84 1.61 0.08 0.25 -4.91 117.98 115.51 1nwt s PHE 132 Ca 0.00 0.64 0.24 0.00 0.12 0.00 0.00 56.93 57.93 1nwt s PHE 132 Cb 0.00 -2.07 0.24 0.00 -0.57 0.00 0.00 43.02 40.62 1nwt s PHE 132 CO 0.00 0.44 1.21 -0.25 -0.10 0.00 0.00 175.22 176.52 1nwt n ASP 133 N 0.27 0.63 -3.84 1.36 8.00 0.20 -4.51 116.55 118.67 1nwt n ASP 133 Ca -0.04 -0.31 0.03 0.00 0.71 0.00 0.00 54.79 55.19 1nwt n ASP 133 Cb 0.52 0.52 0.01 0.00 -0.02 0.00 0.00 41.12 42.15 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 -3.27 -0.24 -0.01 0.44 0.00 -0.95 -0.68 107.32 102.61 1nwt s GLY 134 Ca 0.08 0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.12 1nwt s GLY 134 CO 0.76 4.81 -0.16 -2.27 0.00 0.00 0.00 173.10 176.24 1nwt s LEU 135 N -3.67 2.67 -0.19 0.66 2.96 0.40 -1.03 118.68 120.48 1nwt s LEU 135 Ca 0.27 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1nwt s LEU 135 Cb 0.01 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.17 1nwt s LEU 135 CO -0.03 0.30 -0.18 -0.62 -1.32 0.00 0.00 176.35 174.51 1nwt s ASP 136 N -1.05 3.28 -0.29 3.68 2.15 -0.23 -1.41 116.67 122.79 1nwt s ASP 136 Ca 0.13 -0.64 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 1nwt s ASP 136 Cb -0.11 -1.51 -0.01 0.00 -0.30 0.00 0.00 42.92 41.00 1nwt s ASP 136 CO 0.03 -0.01 0.66 -0.76 -0.17 0.00 0.00 175.17 174.92 1nwt s LEU 137 N 1.31 4.12 -0.59 -1.34 1.43 0.21 -0.46 118.68 123.35 1nwt s LEU 137 Ca 0.05 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1nwt s LEU 137 Cb -0.13 -2.88 0.28 0.00 0.03 0.00 0.00 46.19 43.49 1nwt s LEU 137 CO -0.12 -0.48 0.80 0.00 0.23 0.00 0.00 176.35 176.78 1nwt n ALA 138 N 5.91 4.11 -2.79 4.21 0.00 -0.09 -1.28 120.51 130.58 1nwt n ALA 138 Ca 0.00 -4.62 -0.43 0.00 0.00 0.00 0.00 53.44 48.38 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 -2.75 2.90 -0.51 0.00 -0.11 -1.26 -0.25 118.94 116.96 1nwt s TRP 139 Ca 0.43 -0.44 -0.05 0.00 1.22 0.00 0.00 56.10 57.27 1nwt s TRP 139 Cb 0.20 -3.88 0.13 0.00 -1.50 0.00 0.00 33.47 28.42 1nwt s TRP 139 CO -0.06 -1.26 0.34 -0.51 -4.62 0.00 0.00 176.95 170.83 1nwt s LEU 140 N 3.27 5.42 0.08 5.86 1.43 -1.26 -3.98 118.68 129.50 1nwt s LEU 140 Ca 0.20 -2.30 -0.10 0.00 -1.03 0.00 0.00 54.13 50.91 1nwt s LEU 140 Cb -0.17 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1nwt s LEU 140 CO 0.13 -0.52 0.21 -0.31 0.23 0.00 0.00 176.35 176.09 1nwt s TYR 141 N 0.77 0.09 0.27 0.29 2.02 -1.26 -3.91 117.35 115.62 1nwt s TYR 141 Ca 0.11 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 1nwt s TYR 141 Cb -0.22 -0.02 -0.10 0.00 -0.40 0.00 0.00 41.96 41.21 1nwt s TYR 141 CO -0.03 -0.52 1.48 -2.14 -1.57 0.00 0.00 175.55 172.76 1nwt s PRO 142 N -3.45 4.22 0.55 -1.71 0.02 -1.26 -4.84 135.00 128.54 1nwt s PRO 142 Ca 0.02 2.39 -0.09 0.00 0.02 0.00 0.00 61.00 63.33 1nwt s PRO 142 Cb 0.03 -3.08 0.13 0.00 0.02 0.00 0.00 34.50 31.61 1nwt s PRO 142 CO -0.09 -0.48 0.60 0.41 -0.33 0.00 0.00 177.00 177.12 1nwt n GLY 143 N 2.03 -1.99 0.27 0.52 0.00 -1.26 -4.11 105.19 100.66 1nwt n GLY 143 Ca 0.07 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.55 114.38 115.60 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1nwt h ARG 144 CO 0.14 0.07 0.00 2.89 -1.07 0.00 0.00 179.97 182.00 1nwt n ARG 145 N -3.27 0.18 0.00 0.04 0.00 -1.26 -3.57 116.66 108.78 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 -1.40 1.11 -0.27 2.89 8.00 -0.61 -4.81 116.55 121.45 1nwt n ASP 146 Ca 0.10 -1.33 0.09 0.00 0.71 0.00 0.00 54.79 54.36 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 0.24 0.03 -1.24 3.64 -1.53 0.80 116.57 118.52 1nwt h LYS 147 Ca 0.00 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.09 1nwt h LYS 147 Cb 0.32 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1nwt h LYS 147 CO 0.00 0.16 -1.09 1.96 -2.27 0.00 0.00 179.45 178.21 1nwt h GLN 148 N 0.25 0.64 -0.73 1.90 7.50 -1.86 -3.08 115.11 119.73 1nwt h GLN 148 Ca 0.48 -0.74 0.02 0.00 0.50 0.00 0.00 58.65 58.91 1nwt h GLN 148 Cb 0.89 0.22 -0.04 0.00 0.05 0.00 0.00 27.48 28.60 1nwt h GLN 148 CO -0.58 1.31 0.48 0.45 -1.50 0.00 0.00 178.83 179.00 1nwt h HIS 149 N 0.34 0.89 -0.63 2.96 3.86 -1.59 -0.31 115.15 120.67 1nwt h HIS 149 Ca -0.14 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1nwt h HIS 149 Cb 1.75 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.89 1nwt h HIS 149 CO 0.10 0.55 0.18 0.35 0.86 0.00 0.00 177.93 179.97 1nwt h PHE 150 N 0.95 1.00 -0.21 2.45 3.57 -0.90 0.29 116.94 124.09 1nwt h PHE 150 Ca 0.27 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1nwt h PHE 150 Cb -0.05 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1nwt h PHE 150 CO -0.00 0.81 -0.02 1.15 -2.23 0.00 0.00 178.31 178.02 1nwt h THR 151 N 0.93 1.27 -0.37 4.41 2.02 -1.12 -2.30 112.91 117.74 1nwt h THR 151 Ca 0.21 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1nwt h THR 151 Cb 0.29 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1nwt h THR 151 CO -0.01 0.29 0.25 0.74 0.37 0.00 0.00 175.52 177.16 1nwt h THR 152 N 0.12 1.10 -0.06 3.16 2.02 -0.80 0.32 112.91 118.77 1nwt h THR 152 Ca 0.06 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.09 1nwt h THR 152 Cb 0.44 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1nwt h THR 152 CO 0.01 0.10 -0.20 0.25 0.37 0.00 0.00 175.52 176.05 1nwt h LEU 153 N 0.51 -0.59 -0.59 2.58 5.85 -0.89 0.44 115.31 122.61 1nwt h LEU 153 Ca 0.14 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1nwt h LEU 153 Cb -0.05 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1nwt h LEU 153 CO -0.03 -0.26 0.30 0.40 -0.34 0.00 0.00 178.44 178.52 1nwt h ILE 154 N -0.28 1.20 -0.18 4.05 2.04 -1.22 -0.19 117.51 122.93 1nwt h ILE 154 Ca 0.08 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1nwt h ILE 154 Cb 0.39 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1nwt h ILE 154 CO -0.23 0.23 0.10 0.50 0.00 0.00 0.00 178.15 178.75 1nwt h LYS 155 N 0.81 0.20 -0.11 2.37 3.64 -0.49 -2.32 116.57 120.67 1nwt h LYS 155 Ca 0.21 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 1nwt h LYS 155 Cb 0.09 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1nwt h LYS 155 CO -0.03 0.13 -0.68 0.93 -2.27 0.00 0.00 179.45 177.53 1nwt h GLU 156 N 0.21 0.46 -0.83 1.90 5.08 -0.81 -2.52 114.58 118.07 1nwt h GLU 156 Ca 0.07 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1nwt h GLU 156 Cb 0.01 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1nwt h GLU 156 CO -0.04 0.97 0.44 1.98 -1.00 0.00 0.00 179.01 181.36 1nwt h MET 157 N 0.32 1.16 -0.17 2.33 4.05 -0.92 0.12 114.93 121.83 1nwt h MET 157 Ca -0.02 -0.14 -0.15 0.00 -0.28 0.00 0.00 59.70 59.11 1nwt h MET 157 Cb 1.25 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1nwt h MET 157 CO 0.12 0.86 -0.51 -0.22 0.23 0.00 0.00 176.91 177.39 1nwt h LYS 158 N 1.16 0.47 -0.16 0.39 1.63 -1.39 -1.85 116.57 116.81 1nwt h LYS 158 Ca 0.29 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1nwt h LYS 158 Cb 0.05 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1nwt h LYS 158 CO -0.04 0.87 0.10 0.00 -3.45 0.00 0.00 179.45 176.92 1nwt h ALA 159 N 1.08 0.20 -0.27 5.00 0.00 -0.83 -0.86 119.26 123.59 1nwt h ALA 159 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nwt h ALA 159 Cb 1.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nwt h ALA 159 CO 0.09 -0.30 0.17 1.49 0.00 0.00 0.00 179.25 180.70 1nwt h GLU 160 N 0.19 0.36 -0.82 0.00 4.57 -0.90 -0.91 114.58 117.07 1nwt h GLU 160 Ca 0.06 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1nwt h GLU 160 Cb 0.01 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 1nwt h GLU 160 CO -0.01 0.26 0.50 0.74 -1.18 0.00 0.00 179.01 179.32 1nwt h PHE 161 N 0.35 0.93 -0.29 0.92 -1.00 -1.12 0.16 116.94 116.89 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 -0.01 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.24 1nwt h PHE 161 CO -0.05 0.48 0.12 0.82 -1.61 0.00 0.00 178.31 178.07 1nwt h ILE 162 N 0.92 1.17 -0.11 -0.55 2.04 -0.77 -2.70 117.51 117.52 1nwt h ILE 162 Ca 0.35 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1nwt h ILE 162 Cb 0.15 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1nwt h ILE 162 CO -0.17 0.18 0.03 0.50 0.00 0.00 0.00 178.15 178.70 1nwt h LYS 163 N 0.32 0.09 -0.09 2.37 3.64 -0.41 -0.34 116.57 122.15 1nwt h LYS 163 Ca 0.10 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1nwt h LYS 163 Cb 0.17 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nwt h LYS 163 CO -0.01 0.06 0.15 1.49 -2.27 0.00 0.00 179.45 178.87 1nwt h GLU 164 N 0.09 0.00 -0.01 1.90 4.22 -0.57 -1.52 114.58 118.68 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 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 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 -2.21 2.55 -0.31 2.92 0.00 -0.91 -4.70 120.51 117.85 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 0.24 -0.40 0.31 0.00 0.00 0.00 0.00 19.45 19.60 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 2.18 0.13 0.00 0.00 -0.00 0.02 0.14 115.11 117.58 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 27.93 1nwt h GLN 166 CO 0.00 0.09 0.00 -1.00 -0.00 0.00 0.00 178.83 177.92 1nwt h PRO 167 N 0.14 0.00 0.00 0.06 0.13 -1.84 -3.44 132.00 127.04 1nwt h PRO 167 Ca 0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.71 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 -0.73 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.45 1nwt n GLY 168 N -0.85 0.12 3.86 1.56 0.00 0.44 -5.15 105.19 105.17 1nwt n GLY 168 Ca -0.00 0.00 -0.30 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 2.18 -0.63 1.61 1.02 -0.94 -4.96 119.74 118.02 1nwt s LYS 169 Ca 0.00 0.35 -0.28 0.00 0.02 0.00 0.00 55.97 56.06 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 -1.49 1.22 0.21 -0.92 0.00 0.00 175.35 174.37 1nwt s LYS 170 N -5.39 3.41 0.15 1.68 2.20 -1.26 -4.87 119.74 115.67 1nwt s LYS 170 Ca 0.61 0.10 -0.34 0.00 -0.36 0.00 0.00 55.97 55.98 1nwt s LYS 170 Cb -0.12 -4.07 -0.16 0.00 -1.51 0.00 0.00 37.83 31.97 1nwt s LYS 170 CO 0.51 -1.83 1.14 0.94 -0.36 0.00 0.00 175.35 175.76 1nwt n GLN 171 N 8.73 1.01 -2.11 4.03 7.27 -1.26 -4.92 117.38 130.14 1nwt n GLN 171 Ca 0.07 0.36 -0.40 0.00 0.07 0.00 0.00 57.00 57.10 1nwt n GLN 171 Cb 0.49 -1.85 -0.02 0.00 2.41 0.00 0.00 30.24 31.28 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 0.71 4.36 0.33 1.69 1.43 -1.26 -4.99 118.68 120.95 1nwt s LEU 172 Ca 0.75 2.67 -0.17 0.00 -1.03 0.00 0.00 54.13 56.35 1nwt s LEU 172 Cb -0.90 -3.73 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 1nwt s LEU 172 CO 0.52 -0.62 0.78 -0.76 0.23 0.00 0.00 176.35 176.50 1nwt s LEU 173 N -1.99 4.09 -0.13 1.79 1.43 0.14 -4.91 118.68 119.09 1nwt s LEU 173 Ca 0.51 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1nwt s LEU 173 Cb -0.39 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 41.77 1nwt s LEU 173 CO 0.51 -0.20 -0.05 -0.22 0.23 0.00 0.00 176.35 176.63 1nwt s LEU 174 N -2.85 1.26 0.32 1.79 2.96 -1.26 -0.45 118.68 120.45 1nwt s LEU 174 Ca 0.54 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1nwt s LEU 174 Cb -0.11 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.71 1nwt s LEU 174 CO 0.17 -0.16 0.05 -0.94 -1.32 0.00 0.00 176.35 174.16 1nwt s SER 175 N 1.72 2.30 -0.09 3.68 1.04 -0.50 -0.38 113.70 121.47 1nwt s SER 175 Ca 0.03 -1.37 -0.06 0.00 0.48 0.00 0.00 55.95 55.03 1nwt s SER 175 Cb -0.14 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.95 1nwt s SER 175 CO -0.08 -0.60 0.22 0.00 0.98 0.00 0.00 173.24 173.76 1nwt s ALA 176 N -3.32 -0.52 -0.36 5.32 0.00 -1.17 -0.62 121.76 121.09 1nwt s ALA 176 Ca 0.36 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 1nwt s ALA 176 Cb 0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 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 -0.41 -1.31 121.76 124.40 1nwt s ALA 177 Ca -0.05 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.81 1nwt s ALA 177 Cb -0.07 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1nwt s ALA 177 CO -0.04 -1.27 0.08 -0.51 0.00 0.00 0.00 175.76 174.03 1nwt s LEU 178 N 2.28 3.67 0.59 0.00 1.43 0.30 -4.56 118.68 122.39 1nwt s LEU 178 Ca 0.16 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1nwt s LEU 178 Cb -0.16 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1nwt s LEU 178 CO 0.13 0.10 1.17 -0.55 0.23 0.00 0.00 176.35 177.43 1nwt s SER 179 N -2.88 5.33 0.00 2.29 0.15 -1.26 -0.81 113.70 116.52 1nwt s SER 179 Ca 0.29 2.27 0.19 0.00 0.70 0.00 0.00 55.95 59.41 1nwt s SER 179 Cb -0.10 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 61.80 1nwt s SER 179 CO 0.22 -1.49 1.14 0.00 1.20 0.00 0.00 173.24 174.31 1nwt n ALA 180 N -1.62 2.45 -2.70 5.45 0.00 -1.25 -4.64 120.51 118.20 1nwt n ALA 180 Ca 0.13 -0.70 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 1nwt n ALA 180 Cb 0.50 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.57 2.49 0.17 0.00 0.00 -1.26 -4.67 107.32 102.48 1nwt s GLY 181 Ca 0.24 0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.87 1nwt s GLY 181 CO 0.25 1.29 1.66 1.70 0.00 0.00 0.00 173.10 177.99 1nwt h LYS 182 N 6.92 -0.05 -0.22 2.90 3.64 -1.92 0.82 116.57 128.65 1nwt h LYS 182 Ca -0.38 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1nwt h LYS 182 Cb 1.18 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1nwt h LYS 182 CO 0.77 -0.03 -0.07 0.28 -2.27 0.00 0.00 179.45 178.13 1nwt h VAL 183 N -0.05 0.75 -0.75 2.00 2.07 -1.99 0.12 116.25 118.39 1nwt h VAL 183 Ca 0.19 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 1nwt h VAL 183 Cb 0.34 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1nwt h VAL 183 CO -0.42 0.00 0.27 0.74 0.02 0.00 0.00 177.57 178.18 1nwt h THR 184 N -0.01 1.26 -0.55 2.57 2.02 -1.86 -2.32 112.91 114.01 1nwt h THR 184 Ca 0.11 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1nwt h THR 184 Cb 0.18 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1nwt h THR 184 CO -0.24 0.34 0.26 0.40 0.37 0.00 0.00 175.52 176.66 1nwt h ILE 185 N 1.10 1.20 -0.31 3.11 2.04 -0.19 0.26 117.51 124.72 1nwt h ILE 185 Ca 0.25 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1nwt h ILE 185 Cb 0.26 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1nwt h ILE 185 CO -0.02 0.23 -0.06 0.44 0.00 0.00 0.00 178.15 178.74 1nwt h ASP 186 N 0.75 0.48 0.50 1.72 3.32 -0.51 -2.39 116.42 120.30 1nwt h ASP 186 Ca 0.19 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nwt h ASP 186 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1nwt h ASP 186 CO -0.02 0.60 -1.46 -1.54 -1.72 0.00 0.00 179.24 175.10 1nwt n SER 187 N -4.24 0.45 -0.12 6.45 3.41 -0.90 -4.64 113.62 114.03 1nwt n SER 187 Ca 0.01 0.14 -0.18 0.00 -0.26 0.00 0.00 58.87 58.58 1nwt n SER 187 Cb 0.28 1.17 -0.11 0.00 -0.26 0.00 0.00 64.21 65.30 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 -2.44 2.13 -4.68 4.04 7.64 0.06 -3.19 113.62 117.18 1nwt n SER 188 Ca -0.02 -0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.49 1nwt n SER 188 Cb 0.55 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.47 2.99 -0.76 1.43 2.02 -0.90 -4.22 117.35 115.45 1nwt s TYR 189 Ca -0.32 -0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1nwt s TYR 189 Cb 0.09 -1.56 0.26 0.00 -0.40 0.00 0.00 41.96 40.34 1nwt s TYR 189 CO 0.53 0.47 0.91 -3.47 -1.57 0.00 0.00 175.55 172.42 1nwt n ASP 190 N 0.77 4.39 -0.36 2.29 -0.08 -1.26 -4.77 116.55 117.52 1nwt n ASP 190 Ca -0.12 -3.42 0.04 0.00 -1.51 0.00 0.00 54.79 49.78 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 -0.38 0.12 0.00 0.00 177.20 176.94 1nwt n ILE 191 N 1.06 -0.45 -0.15 5.18 2.08 -1.26 -1.42 119.36 124.41 1nwt n ILE 191 Ca 0.28 2.29 -0.06 0.00 0.56 0.00 0.00 62.75 65.83 1nwt n ILE 191 Cb 0.39 -3.13 0.03 0.00 -0.75 0.00 0.00 39.64 36.17 1nwt n ILE 191 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nwt h ALA 192 N 1.82 0.58 0.44 -1.39 0.00 -1.72 -2.07 119.26 116.92 1nwt h ALA 192 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1nwt h ALA 192 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nwt h ALA 192 CO -1.01 -0.08 -0.21 -0.22 0.00 0.00 0.00 179.25 177.72 1nwt h LYS 193 N 0.50 -0.57 0.00 0.00 1.63 -1.58 -3.25 116.57 113.30 1nwt h LYS 193 Ca 0.19 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1nwt h LYS 193 Cb 0.06 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1nwt h LYS 193 CO -0.11 -0.27 -0.00 -0.84 -3.45 0.00 0.00 179.45 174.77 1nwt h ILE 194 N -0.82 0.01 0.00 2.00 3.07 -1.45 -3.06 117.51 117.26 1nwt h ILE 194 Ca -0.06 -0.45 -0.03 0.00 1.55 0.00 0.00 64.86 65.87 1nwt h ILE 194 Cb 0.55 1.44 -0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1nwt h ILE 194 CO 0.10 0.00 -0.17 0.28 -1.05 0.00 0.00 178.15 177.32 1nwt h SER 195 N 0.00 0.00 -0.34 2.16 0.02 -1.40 -2.01 113.55 111.98 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 0.17 -0.32 1.56 -1.14 0.00 0.00 176.83 177.09 1nwt h GLN 196 N 0.00 0.82 0.00 3.45 4.20 -1.67 -3.30 115.11 118.61 1nwt h GLN 196 Ca -0.00 -0.43 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 1nwt h GLN 196 Cb 0.38 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 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 0.60 0.00 -3.70 2.96 3.86 -1.65 -3.46 115.15 113.76 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 0.90 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.35 1nwt h HIS 197 CO 0.07 0.67 0.23 -0.51 0.86 0.00 0.00 177.93 179.24 1nwt s LEU 198 N -6.38 4.41 0.25 2.43 1.43 -0.78 -4.87 118.68 115.17 1nwt s LEU 198 Ca 0.02 1.66 0.13 0.00 -1.03 0.00 0.00 54.13 54.90 1nwt s LEU 198 Cb 0.08 -3.70 0.05 0.00 0.03 0.00 0.00 46.19 42.65 1nwt s LEU 198 CO 0.78 0.03 1.43 0.44 0.23 0.00 0.00 176.35 179.26 1nwt h ASP 199 N 3.53 0.00 -3.65 2.29 3.32 -1.03 -3.47 116.42 117.41 1nwt h ASP 199 Ca -0.47 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.69 1nwt h ASP 199 Cb 1.20 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 1nwt h ASP 199 CO 0.65 0.62 0.63 0.72 -1.72 0.00 0.00 179.24 180.14 1nwt s PHE 200 N -2.96 -0.30 -0.13 4.55 -0.12 -1.25 -4.84 117.98 112.93 1nwt s PHE 200 Ca 0.03 0.58 0.01 0.00 -0.05 0.00 0.00 56.93 57.49 1nwt s PHE 200 Cb 0.08 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1nwt s PHE 200 CO 0.76 -0.24 -0.15 0.42 -0.05 0.00 0.00 175.22 175.95 1nwt s ILE 201 N -0.79 2.83 -0.37 -4.49 1.01 0.19 -3.05 121.20 116.54 1nwt s ILE 201 Ca 0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1nwt s ILE 201 Cb -0.02 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1nwt s ILE 201 CO -0.03 0.53 0.22 -0.44 0.00 0.00 0.00 174.94 175.22 1nwt s SER 202 N 0.43 5.83 -0.25 3.58 0.01 -0.42 0.47 113.70 123.34 1nwt s SER 202 Ca -0.11 -0.81 -0.19 0.00 1.31 0.00 0.00 55.95 56.14 1nwt s SER 202 Cb -0.16 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1nwt s SER 202 CO 0.05 -0.35 0.58 -0.51 0.41 0.00 0.00 173.24 173.43 1nwt s ILE 203 N 1.62 5.02 -1.04 1.44 2.07 -0.34 -0.54 121.20 129.44 1nwt s ILE 203 Ca 0.04 1.04 -0.17 0.00 -1.41 0.00 0.00 60.65 60.15 1nwt s ILE 203 Cb -0.18 -3.89 -0.08 0.00 0.13 0.00 0.00 42.46 38.43 1nwt s ILE 203 CO 0.08 0.06 2.09 0.23 -1.91 0.00 0.00 174.94 175.50 1nwt n MET 204 N 5.54 2.09 -1.21 3.50 2.81 0.01 -1.26 117.12 128.60 1nwt n MET 204 Ca -0.02 -2.04 -0.36 0.00 -1.81 0.00 0.00 57.70 53.46 1nwt n MET 204 Cb 0.49 -2.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.01 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 5.39 2.86 -3.55 2.03 -2.24 -1.26 -3.90 114.28 113.61 1nwt n THR 205 Ca 0.51 -2.09 -0.05 0.00 -2.27 0.00 0.00 64.05 60.16 1nwt n THR 205 Cb 0.36 -2.40 0.02 0.00 -2.10 0.00 0.00 70.33 66.21 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 5.51 -1.74 -3.11 4.78 0.18 -1.26 -4.77 117.16 116.74 1nwt n TYR 206 Ca 0.54 -1.14 -0.23 0.00 1.88 0.00 0.00 57.90 58.96 1nwt n TYR 206 Cb 0.29 0.57 0.04 0.00 -0.38 0.00 0.00 39.34 39.86 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 -6.13 0.16 9.48 8.00 -0.53 -4.89 116.55 121.35 1nwt n ASP 207 Ca -0.05 -0.32 0.08 0.00 0.71 0.00 0.00 54.79 55.21 1nwt n ASP 207 Cb 0.38 -4.94 0.07 0.00 -0.02 0.00 0.00 41.12 36.62 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 -1.55 0.00 -3.72 1.24 0.04 -1.13 -3.47 116.94 108.35 1nwt h PHE 208 Ca -0.54 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 59.97 1nwt h PHE 208 Cb 1.37 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.37 1nwt h PHE 208 CO 0.53 0.19 -0.69 -1.58 -0.60 0.00 0.00 178.31 176.16 1nwt s HIS 209 N -3.15 1.08 0.00 -0.55 2.46 -1.26 -4.93 115.29 108.95 1nwt s HIS 209 Ca 0.04 -0.93 0.00 0.00 0.47 0.00 0.00 55.06 54.64 1nwt s HIS 209 Cb 0.07 -0.61 0.00 0.00 -0.13 0.00 0.00 32.58 31.91 1nwt s HIS 209 CO 0.73 -0.13 0.00 0.41 -2.47 0.00 0.00 174.74 173.27 1nwt n GLY 210 N -0.15 0.85 0.00 1.59 0.00 -1.26 -4.65 105.19 101.57 1nwt n GLY 210 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1nwt n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwt n ALA 211 N -0.00 0.00 0.29 4.61 0.00 -1.26 0.09 120.51 124.24 1nwt n ALA 211 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1nwt n ALA 211 Cb 0.00 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.31 1nwt n ALA 211 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1nwt h TRP 212 N 0.00 0.00 0.00 0.00 5.08 -1.96 -1.71 115.95 117.37 1nwt h TRP 212 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1nwt h TRP 212 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1nwt h TRP 212 CO 0.00 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 177.70 1nwt n ARG 213 N -3.98 0.52 -0.87 0.12 1.74 0.11 -4.88 116.66 109.42 1nwt n ARG 213 Ca -0.03 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1nwt n ARG 213 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.58 0.21 3.09 -0.13 0.00 -0.64 -4.96 105.19 103.34 1nwt n GLY 214 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.54 0.21 0.40 2.61 -4.23 -1.26 -2.95 115.64 108.88 1nwt s THR 215 Ca 0.00 -1.74 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 1nwt s THR 215 Cb 0.00 -1.47 -0.09 0.00 1.34 0.00 0.00 72.50 72.29 1nwt s THR 215 CO 0.00 -0.96 1.13 0.42 -0.54 0.00 0.00 174.62 174.66 1nwt s THR 216 N -3.84 3.35 -0.28 3.99 -4.23 -0.31 -4.83 115.64 109.49 1nwt s THR 216 Ca 0.06 1.10 -0.24 0.00 -1.18 0.00 0.00 61.69 61.43 1nwt s THR 216 Cb 0.07 -3.60 0.13 0.00 1.34 0.00 0.00 72.50 70.44 1nwt s THR 216 CO -0.10 0.07 1.07 -0.83 -0.54 0.00 0.00 174.62 174.30 1nwt s GLY 217 N -1.28 -0.08 0.06 3.99 0.00 -1.26 -1.24 107.32 107.51 1nwt s GLY 217 Ca 0.57 2.81 -0.31 0.00 0.00 0.00 0.00 44.72 47.80 1nwt s GLY 217 CO 0.35 1.91 1.28 -1.58 0.00 0.00 0.00 173.10 175.05 1nwt s HIS 218 N 0.30 3.29 -1.43 1.90 5.65 -1.26 -4.73 115.29 119.00 1nwt s HIS 218 Ca 0.03 1.14 0.29 0.00 0.25 0.00 0.00 55.06 56.76 1nwt s HIS 218 Cb -0.05 -3.52 1.45 0.00 -1.18 0.00 0.00 32.58 29.28 1nwt s HIS 218 CO -0.08 -1.73 2.00 -2.39 -0.65 0.00 0.00 174.74 171.88 1nwt n HIS 219 N 4.20 0.00 -3.01 3.88 -0.00 -1.26 -4.20 115.22 114.84 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 -0.28 0.02 0.00 -0.00 0.00 0.00 29.99 30.17 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 -1.28 -0.29 -4.80 4.39 2.88 -1.26 -0.55 113.62 112.71 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 0.23 0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.48 3.78 -0.05 -1.46 0.04 -1.26 -4.89 135.00 129.69 1nwt s PRO 221 Ca 0.33 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 1nwt s PRO 221 Cb 0.33 -2.09 -0.25 0.00 0.04 0.00 0.00 34.50 32.53 1nwt s PRO 221 CO -0.07 -0.44 0.99 1.25 0.04 0.00 0.00 177.00 178.78 1nwt h LEU 222 N 1.46 0.32 -9.59 -3.56 5.85 -1.49 -0.94 115.31 107.36 1nwt h LEU 222 Ca -0.49 -0.83 -0.59 0.00 0.84 0.00 0.00 57.88 56.81 1nwt h LEU 222 Cb 1.22 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.01 1nwt h LEU 222 CO 0.59 1.11 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.86 1nwt s PHE 223 N -2.92 2.18 0.15 1.25 0.08 -1.24 -0.16 117.98 117.32 1nwt s PHE 223 Ca -0.15 -0.86 -0.14 0.00 0.12 0.00 0.00 56.93 55.90 1nwt s PHE 223 Cb 0.01 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1nwt s PHE 223 CO 0.77 0.22 1.69 -0.09 -0.10 0.00 0.00 175.22 177.71 1nwt h ARG 224 N 1.79 0.73 0.00 0.44 2.43 -1.91 -3.39 114.38 114.47 1nwt h ARG 224 Ca -0.42 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1nwt h ARG 224 Cb 1.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1nwt h ARG 224 CO 0.74 0.67 0.00 0.41 -1.51 0.00 0.00 179.97 180.28 1nwt n GLY 225 N -0.75 -1.38 3.47 2.80 0.00 -1.24 -4.72 105.19 103.36 1nwt n GLY 225 Ca 0.01 -1.34 -0.59 0.00 0.00 0.00 0.00 46.02 44.10 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 0.40 0.30 1.61 7.27 -1.26 -4.78 117.38 120.91 1nwt n GLN 226 Ca 0.00 0.13 0.16 0.00 0.07 0.00 0.00 57.00 57.35 1nwt n GLN 226 Cb 0.00 -1.79 0.94 0.00 2.41 0.00 0.00 30.24 31.80 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 8.56 0.00 -0.16 3.69 4.22 -1.92 -2.17 114.58 126.81 1nwt h GLU 227 Ca -0.26 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.00 1nwt h GLU 227 Cb 1.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.63 1nwt h GLU 227 CO 1.03 0.01 -0.61 -0.44 -2.18 0.00 0.00 179.01 176.83 1nwt h ASP 228 N 0.00 0.81 0.92 1.04 5.19 -1.99 -3.32 116.42 119.07 1nwt h ASP 228 Ca -0.00 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1nwt h ASP 228 Cb 0.04 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1nwt h ASP 228 CO 0.00 1.29 0.00 0.00 -3.12 0.00 0.00 179.24 177.41 1nwt n ALA 229 N -2.57 1.97 -3.40 3.45 0.00 -0.82 -4.75 120.51 114.39 1nwt n ALA 229 Ca -0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 1nwt n ALA 229 Cb 0.66 -1.39 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.73 3.08 -0.08 0.00 1.04 -1.20 -4.89 113.70 107.93 1nwt s SER 230 Ca 0.09 -0.57 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 1nwt s SER 230 Cb 0.12 -1.42 -0.25 0.00 0.10 0.00 0.00 66.02 64.57 1nwt s SER 230 CO 0.44 0.13 0.92 -0.65 0.98 0.00 0.00 173.24 175.06 1nwt h PRO 231 N 6.95 0.11 -5.46 4.02 0.11 -1.87 -3.44 132.00 132.43 1nwt h PRO 231 Ca -0.24 -0.15 -0.62 0.00 0.11 0.00 0.00 66.00 65.10 1nwt h PRO 231 Cb 1.22 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.25 1nwt h PRO 231 CO 0.50 0.97 0.11 0.34 -0.21 0.00 0.00 178.00 179.71 1nwt s ASP 232 N -6.34 6.49 0.00 -2.05 2.15 -1.26 -4.94 116.67 110.72 1nwt s ASP 232 Ca -0.17 0.47 0.19 0.00 0.43 0.00 0.00 52.55 53.47 1nwt s ASP 232 Cb -0.01 -2.32 0.97 0.00 -0.30 0.00 0.00 42.92 41.27 1nwt s ASP 232 CO 0.73 -0.42 1.58 -2.11 -0.17 0.00 0.00 175.17 174.78 1nwt n ARG 233 N 5.77 0.29 0.00 4.34 1.85 -1.26 -3.46 116.66 124.19 1nwt n ARG 233 Ca -0.02 0.10 0.06 0.00 -1.00 0.00 0.00 57.85 56.99 1nwt n ARG 233 Cb 0.49 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.41 1nwt n ARG 233 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nwt n PHE 234 N -1.27 0.00 -1.93 2.89 3.72 -1.26 -4.81 117.46 114.80 1nwt n PHE 234 Ca 0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.09 1nwt n PHE 234 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.01 6.80 -3.46 4.37 7.64 -1.22 -4.52 113.62 123.24 1nwt n SER 235 Ca 0.06 -2.99 -0.14 0.00 1.01 0.00 0.00 58.87 56.80 1nwt n SER 235 Cb 0.27 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 61.97 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 1.19 -0.60 0.12 6.43 2.20 -1.26 -4.78 114.94 118.23 1nwt s ASN 236 Ca 0.52 0.28 -0.27 0.00 -0.94 0.00 0.00 52.86 52.45 1nwt s ASN 236 Cb 0.15 0.57 -0.07 0.00 -2.00 0.00 0.00 41.25 39.91 1nwt s ASN 236 CO -0.06 -0.82 1.63 0.74 -2.94 0.00 0.00 177.10 175.65 1nwt h THR 237 N 2.41 0.37 -0.56 0.54 2.02 -1.24 -2.89 112.91 113.56 1nwt h THR 237 Ca -0.31 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.98 1nwt h THR 237 Cb 1.24 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.91 1nwt h THR 237 CO 0.39 0.00 -0.15 -0.78 0.37 0.00 0.00 175.52 175.35 1nwt h ASP 238 N -0.47 -0.54 0.25 4.18 3.58 -0.78 -1.25 116.42 121.40 1nwt h ASP 238 Ca 0.05 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1nwt h ASP 238 Cb 0.53 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1nwt h ASP 238 CO -0.21 -0.19 -0.16 0.22 -2.88 0.00 0.00 179.24 176.02 1nwt h TYR 239 N -0.01 -0.43 -0.56 0.28 3.20 -1.79 -2.00 116.97 115.67 1nwt h TYR 239 Ca 0.27 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.23 1nwt h TYR 239 Cb 0.41 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.77 1nwt h TYR 239 CO -0.47 -0.26 0.17 0.00 -1.64 0.00 0.00 178.16 175.96 1nwt h ALA 240 N 0.32 0.68 0.57 1.82 0.00 -1.23 0.30 119.26 121.73 1nwt h ALA 240 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nwt h ALA 240 Cb 0.34 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nwt h ALA 240 CO 0.02 -0.25 -0.28 0.28 0.00 0.00 0.00 179.25 179.02 1nwt h VAL 241 N 0.33 0.44 -0.97 0.00 2.07 -1.13 -0.16 116.25 116.83 1nwt h VAL 241 Ca 0.28 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1nwt h VAL 241 Cb 0.36 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1nwt h VAL 241 CO -0.32 0.00 0.62 1.23 0.02 0.00 0.00 177.57 179.12 1nwt h GLY 242 N -0.78 1.45 0.90 2.17 0.00 -1.04 -1.97 103.07 103.80 1nwt h GLY 242 Ca -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1nwt h GLY 242 CO 0.13 0.34 0.09 -1.82 0.00 0.00 0.00 176.54 175.28 1nwt h TYR 243 N 1.15 0.30 -0.08 5.60 3.20 -0.20 -1.78 116.97 125.16 1nwt h TYR 243 Ca 0.41 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.20 1nwt h TYR 243 Cb 0.13 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1nwt h TYR 243 CO -0.01 0.34 -0.23 1.98 -1.64 0.00 0.00 178.16 178.60 1nwt h MET 244 N 0.18 0.13 -0.18 1.82 4.05 -0.64 -1.17 114.93 119.11 1nwt h MET 244 Ca 0.07 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1nwt h MET 244 Cb 0.16 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1nwt h MET 244 CO -0.01 0.36 0.02 -0.07 0.23 0.00 0.00 176.91 177.45 1nwt h LEU 245 N 0.12 0.30 -1.47 3.39 3.38 -1.17 -2.40 115.31 117.45 1nwt h LEU 245 Ca 0.02 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 57.84 1nwt h LEU 245 Cb 0.48 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1nwt h LEU 245 CO 0.03 0.50 0.51 -0.09 0.09 0.00 0.00 178.44 179.48 1nwt h ARG 246 N 0.09 0.53 0.00 1.13 2.43 -0.59 0.19 114.38 118.15 1nwt h ARG 246 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nwt h ARG 246 Cb 0.33 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1nwt h ARG 246 CO 0.01 0.35 0.00 1.28 -1.51 0.00 0.00 179.97 180.10 1nwt n LEU 247 N -4.50 0.00 0.00 3.80 4.77 -0.51 -4.89 117.00 115.66 1nwt n LEU 247 Ca 0.14 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1nwt n LEU 247 Cb 0.45 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nwt n LEU 247 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1nwt n GLY 248 N 1.13 1.86 3.48 -0.72 0.00 0.65 -2.93 105.19 108.65 1nwt n GLY 248 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 3.46 0.14 4.61 0.00 -0.94 -4.32 121.76 122.71 1nwt s ALA 249 Ca 0.00 -1.60 -0.35 0.00 0.00 0.00 0.00 51.96 50.01 1nwt s ALA 249 Cb 0.00 -2.94 -0.15 0.00 0.00 0.00 0.00 23.12 20.03 1nwt s ALA 249 CO 0.00 -1.47 1.48 -2.30 0.00 0.00 0.00 175.76 173.47 1nwt n PRO 250 N 5.33 1.77 -0.01 0.00 -0.02 -1.26 -4.51 135.00 136.30 1nwt n PRO 250 Ca -0.10 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1nwt n PRO 250 Cb 0.47 -2.35 0.57 0.00 -0.02 0.00 0.00 33.50 32.17 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 5.33 2.13 0.00 3.55 0.00 -1.93 0.18 119.26 128.53 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 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nwt h ALA 251 CO 0.84 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.71 1nwt n SER 252 N -4.46 0.34 -0.33 0.00 3.41 -1.26 -0.86 113.62 110.47 1nwt n SER 252 Ca 0.08 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.31 1nwt n SER 252 Cb 0.38 -0.66 0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.89 1.22 -3.71 4.33 5.02 0.60 -4.34 118.16 119.40 1nwt n LYS 253 Ca 0.03 -1.31 -0.37 0.00 -2.02 0.00 0.00 58.31 54.64 1nwt n LYS 253 Cb 0.19 -1.15 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.76 3.74 -0.18 -0.35 2.96 -1.00 0.57 118.68 123.66 1nwt s LEU 254 Ca 0.11 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1nwt s LEU 254 Cb 0.07 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 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 1.52 3.91 -0.23 1.68 1.01 0.18 -0.49 120.40 127.96 1nwt s VAL 255 Ca 0.06 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1nwt s VAL 255 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1nwt s VAL 255 CO 0.06 0.46 0.57 -0.32 0.00 0.00 0.00 175.10 175.87 1nwt s MET 256 N 0.75 4.14 0.15 2.72 1.75 -0.19 -1.19 119.30 127.43 1nwt s MET 256 Ca -0.01 0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.60 1nwt s MET 256 Cb -0.14 -3.61 -0.07 0.00 2.84 0.00 0.00 34.83 33.84 1nwt s MET 256 CO 0.02 -0.30 1.13 0.20 -0.65 0.00 0.00 175.02 175.43 1nwt s GLY 257 N 1.35 2.73 -0.09 2.11 0.00 -0.39 -0.45 107.32 112.59 1nwt s GLY 257 Ca 0.25 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.83 1nwt s GLY 257 CO 0.09 1.77 -0.15 -0.42 0.00 0.00 0.00 173.10 174.39 1nwt s ILE 258 N 0.09 1.39 0.18 0.90 1.01 0.18 -4.12 121.20 120.84 1nwt s ILE 258 Ca 0.52 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 1nwt s ILE 258 Cb -0.30 -1.27 -0.08 0.00 0.01 0.00 0.00 42.46 40.83 1nwt s ILE 258 CO 0.34 0.42 0.70 -2.16 0.00 0.00 0.00 174.94 174.23 1nwt s PRO 259 N 0.78 4.30 -0.14 2.79 0.04 -1.26 -2.64 135.00 138.88 1nwt s PRO 259 Ca -0.11 0.89 0.15 0.00 0.04 0.00 0.00 61.00 61.97 1nwt s PRO 259 Cb -0.16 -3.04 0.54 0.00 0.04 0.00 0.00 34.50 31.88 1nwt s PRO 259 CO 0.02 0.49 1.45 0.25 0.04 0.00 0.00 177.00 179.25 1nwt n THR 260 N 1.12 1.99 -4.26 1.26 -2.24 -0.70 -4.53 114.28 106.91 1nwt n THR 260 Ca -0.05 -1.54 -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 1.34 0.30 4.78 -0.71 -1.26 -1.28 117.98 118.86 1nwt s PHE 261 Ca 0.41 -0.72 0.11 0.00 -1.04 0.00 0.00 56.93 55.68 1nwt s PHE 261 Cb 0.30 -0.67 -0.05 0.00 -1.21 0.00 0.00 43.02 41.39 1nwt s PHE 261 CO 0.13 0.13 -0.15 0.20 -1.34 0.00 0.00 175.22 174.19 1nwt s GLY 262 N -3.17 1.96 -0.20 1.99 0.00 0.26 -4.63 107.32 103.52 1nwt s GLY 262 Ca 0.17 -1.92 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 1nwt s GLY 262 CO 0.02 -1.96 0.04 0.50 0.00 0.00 0.00 173.10 171.70 1nwt s ARG 263 N -3.56 3.78 0.28 2.90 1.81 -0.71 -2.39 118.95 121.06 1nwt s ARG 263 Ca 0.31 -0.43 0.08 0.00 -1.72 0.00 0.00 55.73 53.97 1nwt s ARG 263 Cb -0.03 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.24 1nwt s ARG 263 CO 0.16 0.09 0.14 -1.54 -0.68 0.00 0.00 175.30 173.47 1nwt s SER 264 N 0.85 5.07 0.05 0.23 1.04 -0.71 -1.64 113.70 118.59 1nwt s SER 264 Ca 0.03 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1nwt s SER 264 Cb -0.14 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.88 1nwt s SER 264 CO 0.02 -0.10 0.05 -0.36 0.98 0.00 0.00 173.24 173.83 1nwt s PHE 265 N -2.26 0.34 -0.38 5.02 0.08 0.10 -1.74 117.98 119.15 1nwt s PHE 265 Ca 0.34 -0.78 -0.09 0.00 0.12 0.00 0.00 56.93 56.52 1nwt s PHE 265 Cb -0.06 -0.24 0.05 0.00 -0.57 0.00 0.00 43.02 42.19 1nwt s PHE 265 CO 0.23 -0.40 0.20 0.99 -0.10 0.00 0.00 175.22 176.15 1nwt s THR 266 N -3.38 4.29 0.78 0.64 2.01 0.12 -1.57 115.64 118.53 1nwt s THR 266 Ca 0.02 -1.10 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 1nwt s THR 266 Cb 0.04 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 69.11 1nwt s THR 266 CO -0.08 -0.31 1.05 0.18 -0.69 0.00 0.00 174.62 174.77 1nwt n LEU 267 N 4.93 3.77 -0.04 4.42 4.77 0.93 -0.30 117.00 135.49 1nwt n LEU 267 Ca -0.11 0.61 0.01 0.00 -0.03 0.00 0.00 56.01 56.49 1nwt n LEU 267 Cb 0.45 -1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1nwt n LEU 267 CO 0.36 -1.95 0.10 0.00 -1.33 0.00 0.00 177.39 174.57 1nwt n ALA 268 N -2.96 2.38 -3.00 -1.18 0.00 -0.58 -4.46 120.51 110.72 1nwt n ALA 268 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1nwt n ALA 268 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.63 0.00 -0.24 0.00 3.41 -1.26 -5.01 113.62 109.88 1nwt n SER 269 Ca 0.01 -0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1nwt n SER 269 Cb 0.05 0.00 0.37 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 -0.09 1.03 -4.71 4.04 3.41 -1.26 -4.87 113.62 111.17 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 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.51 4.40 0.00 4.33 2.02 -1.26 -4.92 118.70 120.76 1nwt s GLU 271 Ca 0.24 1.82 0.00 0.00 0.02 0.00 0.00 54.97 57.05 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 -0.33 0.68 0.25 0.02 0.00 0.00 175.26 176.41 1nwt n THR 272 N 4.06 0.46 -2.00 3.63 -2.24 -1.26 -4.72 114.28 112.20 1nwt n THR 272 Ca 0.10 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.12 1nwt n THR 272 Cb 0.46 0.87 0.12 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.23 -0.57 3.70 3.38 0.00 -1.26 -4.94 105.19 105.27 1nwt n GLY 273 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.72 3.17 0.00 1.61 1.01 -1.26 -2.33 120.40 119.88 1nwt s VAL 274 Ca 0.52 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1nwt s VAL 274 Cb -0.02 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1nwt s VAL 274 CO 0.36 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1nwt n GLY 275 N 3.72 0.56 3.72 4.51 0.00 -0.37 -4.96 105.19 112.37 1nwt n GLY 275 Ca 0.14 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 2.05 0.35 4.61 0.00 -0.99 -4.46 121.76 121.04 1nwt s ALA 276 Ca 0.00 0.81 -0.28 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 -1.97 1.23 -2.14 0.00 0.00 0.00 175.76 172.88 1nwt s PRO 277 N -4.04 4.30 0.18 0.00 0.02 -1.26 -1.16 135.00 133.03 1nwt s PRO 277 Ca 0.73 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.83 1nwt s PRO 277 Cb -0.28 -2.96 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1nwt s PRO 277 CO 0.47 -0.17 -0.12 0.96 -0.33 0.00 0.00 177.00 177.81 1nwt s ILE 278 N -1.23 1.46 -1.52 2.83 -4.36 -1.15 -1.52 121.20 115.71 1nwt s ILE 278 Ca 0.51 -2.13 0.15 0.00 -0.26 0.00 0.00 60.65 58.92 1nwt s ILE 278 Cb -0.36 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.44 1nwt s ILE 278 CO 0.46 -0.67 0.86 -1.54 0.24 0.00 0.00 174.94 174.30 1nwt n SER 279 N -0.28 1.72 0.00 4.36 3.41 0.59 -4.75 113.62 118.68 1nwt n SER 279 Ca -0.09 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1nwt n SER 279 Cb 0.60 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 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 1.07 -0.28 3.62 5.00 0.00 -1.25 -4.99 105.19 108.36 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 0.39 0.85 1.61 0.04 -1.26 -0.71 135.00 133.93 1nwt s PRO 281 Ca 0.00 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 1nwt s PRO 281 Cb 0.00 -1.69 0.10 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 -2.81 1.60 0.31 0.56 0.00 -0.71 -3.44 107.32 102.83 1nwt s GLY 282 Ca 0.66 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 1nwt s GLY 282 CO 0.60 0.12 1.39 -0.42 0.00 0.00 0.00 173.10 174.79 1nwt s ILE 283 N -3.23 2.58 0.53 0.90 1.01 -1.26 -2.16 121.20 119.58 1nwt s ILE 283 Ca 0.62 0.55 -0.22 0.00 0.00 0.00 0.00 60.65 61.60 1nwt s ILE 283 Cb -0.14 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1nwt s ILE 283 CO 0.54 0.11 1.23 -2.65 0.00 0.00 0.00 174.94 174.17 1nwt n PRO 284 N 1.34 1.51 -2.17 2.79 -0.02 -1.26 -4.63 135.00 132.55 1nwt n PRO 284 Ca 0.03 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1nwt n PRO 284 Cb 0.41 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.93 2.14 0.39 -1.23 0.00 -1.25 -4.86 107.32 101.58 1nwt s GLY 285 Ca 0.71 0.36 0.07 0.00 0.00 0.00 0.00 44.72 45.86 1nwt s GLY 285 CO 0.50 0.67 1.99 -0.09 0.00 0.00 0.00 173.10 176.18 1nwt h ARG 286 N 0.65 0.63 0.00 2.90 2.43 -1.95 -1.41 114.38 117.64 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 1.21 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 1nwt h ARG 286 CO 0.59 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 0.37 2.20 3.72 -1.26 -4.51 117.46 113.54 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 0.19 -1.00 0.19 0.00 -0.94 0.00 0.00 39.48 37.91 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 -3.42 112.91 106.24 1nwt h THR 288 Ca -0.57 -0.76 -0.51 0.00 -0.55 0.00 0.00 66.41 64.02 1nwt h THR 288 Cb 1.96 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 69.90 1nwt h THR 288 CO -0.07 0.00 -0.85 0.29 -0.25 0.00 0.00 175.52 174.64 1nwt n LYS 289 N -2.58 -0.37 -3.42 4.72 5.02 -0.53 -4.89 118.16 116.11 1nwt n LYS 289 Ca 0.03 -0.03 -0.15 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 33.43 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 -7.09 0.28 0.10 1.97 2.12 -1.26 -4.92 118.70 109.91 1nwt s GLU 290 Ca 0.39 0.24 -0.36 0.00 0.36 0.00 0.00 54.97 55.60 1nwt s GLU 290 Cb -0.22 -0.81 -0.17 0.00 0.26 0.00 0.00 34.13 33.20 1nwt s GLU 290 CO 0.82 -0.75 1.29 0.00 -0.54 0.00 0.00 175.26 176.09 1nwt n ALA 291 N 5.33 -0.99 -0.63 6.30 0.00 -1.26 -0.80 120.51 128.47 1nwt n ALA 291 Ca -0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1nwt n ALA 291 Cb 0.49 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 2.38 0.85 3.13 0.00 0.00 -0.92 -4.80 105.19 105.84 1nwt n GLY 292 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.27 1.19 -0.12 2.61 2.01 0.02 -1.73 115.64 116.35 1nwt s THR 293 Ca 0.00 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 1nwt s THR 293 Cb 0.00 -1.01 0.05 0.00 0.01 0.00 0.00 72.50 71.56 1nwt s THR 293 CO 0.00 0.27 0.26 -0.76 -0.69 0.00 0.00 174.62 173.70 1nwt s LEU 294 N -0.53 0.07 0.68 4.42 1.43 -1.01 -3.87 118.68 119.88 1nwt s LEU 294 Ca 0.05 0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 53.59 1nwt s LEU 294 Cb -0.06 0.75 0.01 0.00 0.03 0.00 0.00 46.19 46.91 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 1.78 2.48 0.31 4.21 0.00 -1.26 -0.58 121.76 128.70 1nwt s ALA 295 Ca -0.05 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1nwt s ALA 295 Cb -0.11 -3.28 0.60 0.00 0.00 0.00 0.00 23.12 20.33 1nwt s ALA 295 CO -0.09 -1.33 1.89 -0.92 0.00 0.00 0.00 175.76 175.31 1nwt h TYR 296 N -0.28 1.01 0.00 0.00 3.20 0.38 0.38 116.97 121.66 1nwt h TYR 296 Ca -0.46 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 1nwt h TYR 296 Cb 1.23 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1nwt h TYR 296 CO 0.57 0.47 -0.33 0.10 -1.64 0.00 0.00 178.16 177.33 1nwt h TYR 297 N 0.94 0.00 -0.00 -3.82 -0.00 -1.80 -0.85 116.97 111.44 1nwt h TYR 297 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.98 1nwt h TYR 297 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.09 1nwt h TYR 297 CO -0.00 0.33 -0.79 0.93 -0.00 0.00 0.00 178.16 178.63 1nwt h GLU 298 N 0.00 0.07 -0.32 0.10 5.08 -1.33 -3.09 114.58 115.08 1nwt h GLU 298 Ca -0.00 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1nwt h GLU 298 Cb 0.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1nwt h GLU 298 CO 0.04 0.82 -0.33 0.82 -1.00 0.00 0.00 179.01 179.37 1nwt h ILE 299 N 0.04 1.28 -0.29 3.13 2.04 -0.09 -2.23 117.51 121.39 1nwt h ILE 299 Ca -0.02 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.38 1nwt h ILE 299 Cb 1.39 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1nwt h ILE 299 CO 0.11 0.48 0.19 0.00 0.00 0.00 0.00 178.15 178.93 1nwt h ASP 301 N 0.38 -0.09 -0.93 0.00 3.32 -1.49 -3.15 116.42 114.46 1nwt h ASP 301 Ca 0.11 -0.41 0.19 0.00 0.02 0.00 0.00 57.03 56.94 1nwt h ASP 301 Cb -0.02 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1nwt h ASP 301 CO -0.02 0.39 0.49 0.15 -1.72 0.00 0.00 179.24 178.53 1nwt h PHE 302 N -0.60 0.85 0.00 4.55 3.57 -0.62 0.11 116.94 124.81 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 39.00 1nwt h PHE 302 CO 0.08 0.11 0.07 -0.07 -2.23 0.00 0.00 178.31 176.27 1nwt h LEU 303 N 0.59 0.00 -8.76 0.59 3.38 -0.45 -3.36 115.31 107.31 1nwt h LEU 303 Ca 0.55 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.97 1nwt h LEU 303 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1nwt h LEU 303 CO -0.43 0.00 1.28 -0.13 0.09 0.00 0.00 178.44 179.24 1nwt s ARG 304 N -3.91 3.17 0.00 1.13 0.52 0.38 -1.85 118.95 118.39 1nwt s ARG 304 Ca -0.04 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.34 1nwt s ARG 304 Cb 0.10 -4.23 0.00 0.00 0.52 0.00 0.00 34.95 31.34 1nwt s ARG 304 CO 0.31 -2.06 0.00 0.41 0.02 0.00 0.00 175.30 173.98 1nwt n GLY 305 N 5.46 0.62 3.74 -3.53 0.00 -1.26 -5.05 105.19 105.16 1nwt n GLY 305 Ca 0.22 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 3.43 -0.17 4.61 0.00 -0.77 -4.91 121.76 121.95 1nwt s ALA 306 Ca 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.28 1nwt s ALA 306 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1nwt s ALA 306 CO 0.00 0.19 0.05 0.99 0.00 0.00 0.00 175.76 176.99 1nwt s THR 307 N -2.28 4.71 -0.17 0.00 2.01 -0.59 -4.92 115.64 114.40 1nwt s THR 307 Ca 0.34 -0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.21 1nwt s THR 307 Cb -0.06 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 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 0.20 4.57 -0.09 3.82 1.01 -1.26 -1.39 120.40 127.26 1nwt s VAL 308 Ca 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1nwt s VAL 308 Cb -0.12 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1nwt s VAL 308 CO 0.01 0.47 -0.23 -1.00 0.00 0.00 0.00 175.10 174.35 1nwt s HIS 309 N 0.32 2.44 -0.18 5.22 3.76 -0.00 -4.97 115.29 121.88 1nwt s HIS 309 Ca 0.02 -0.96 -0.24 0.00 -0.15 0.00 0.00 55.06 53.72 1nwt s HIS 309 Cb -0.13 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1nwt s HIS 309 CO 0.01 -0.38 0.78 1.03 -0.85 0.00 0.00 174.74 175.33 1nwt s ARG 310 N 0.31 4.28 -0.58 1.40 1.81 -1.26 -1.61 118.95 123.29 1nwt s ARG 310 Ca -0.17 0.92 -0.25 0.00 -1.72 0.00 0.00 55.73 54.51 1nwt s ARG 310 Cb -0.17 -3.57 0.04 0.00 -0.45 0.00 0.00 34.95 30.79 1nwt s ARG 310 CO 0.08 -0.31 1.01 0.42 -0.68 0.00 0.00 175.30 175.83 1nwt s ILE 311 N 2.09 4.27 0.44 1.52 1.01 0.21 -4.99 121.20 125.74 1nwt s ILE 311 Ca 0.36 0.33 -0.25 0.00 0.00 0.00 0.00 60.65 61.09 1nwt s ILE 311 Cb -0.16 -4.62 -0.09 0.00 0.01 0.00 0.00 42.46 37.60 1nwt s ILE 311 CO 0.12 -1.25 1.32 0.18 0.00 0.00 0.00 174.94 175.31 1nwt n LEU 312 N 7.81 4.42 0.00 2.97 4.77 -1.26 -1.31 117.00 134.40 1nwt n LEU 312 Ca 0.02 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1nwt n LEU 312 Cb 0.48 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1nwt n LEU 312 CO 0.66 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1nwt n GLY 313 N 0.74 1.84 0.06 -0.72 0.00 -1.26 -4.39 105.19 101.46 1nwt n GLY 313 Ca 0.06 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 0.48 -1.67 1.61 6.02 -0.88 -3.66 117.38 119.27 1nwt n GLN 314 Ca 0.00 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 1nwt n GLN 314 Cb 0.00 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.53 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 -2.28 -1.31 -4.26 -1.09 1.13 -0.42 -1.21 117.38 107.94 1nwt n GLN 315 Ca 0.00 1.10 -0.16 0.00 -1.94 0.00 0.00 57.00 56.00 1nwt n GLN 315 Cb 0.50 -5.42 -0.10 0.00 0.11 0.00 0.00 30.24 25.33 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 -2.72 1.30 0.26 5.09 -7.23 -1.25 -4.62 120.40 111.23 1nwt s VAL 316 Ca 0.00 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1nwt s VAL 316 Cb 0.00 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1nwt s VAL 316 CO 0.00 -0.60 0.26 -2.16 -0.31 0.00 0.00 175.10 172.30 1nwt s PRO 317 N -3.29 3.05 0.01 4.82 0.04 -1.25 -0.62 135.00 137.76 1nwt s PRO 317 Ca 0.14 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1nwt s PRO 317 Cb -0.01 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1nwt s PRO 317 CO 0.02 0.36 -0.02 1.52 0.04 0.00 0.00 177.00 178.92 1nwt s TYR 318 N -2.12 0.20 0.09 0.56 -0.85 -0.63 -2.53 117.35 112.07 1nwt s TYR 318 Ca 0.35 -0.27 0.09 0.00 -0.52 0.00 0.00 57.07 56.72 1nwt s TYR 318 Cb -0.08 -0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1nwt s TYR 318 CO 0.26 -0.09 -0.23 0.00 -1.52 0.00 0.00 175.55 173.97 1nwt s ALA 319 N -0.75 2.47 -0.02 9.51 0.00 -0.24 -0.82 121.76 131.91 1nwt s ALA 319 Ca -0.08 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 1nwt s ALA 319 Cb -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1nwt s ALA 319 CO -0.00 0.56 0.06 -0.08 0.00 0.00 0.00 175.76 176.30 1nwt s THR 320 N -1.00 0.01 -0.24 0.00 -1.32 -0.49 -1.24 115.64 111.36 1nwt s THR 320 Ca 0.15 -0.10 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 1nwt s THR 320 Cb -0.10 -0.13 0.08 0.00 -1.51 0.00 0.00 72.50 70.84 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 0.54 6.54 7.08 2.20 -0.88 -1.55 119.74 133.53 1nwt s LYS 321 Ca -0.02 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1nwt s LYS 321 Cb -0.01 0.25 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 0.00 175.35 175.23 1nwt n GLY 322 N 4.65 3.10 1.58 5.54 0.00 -1.26 -1.64 105.19 117.15 1nwt n GLY 322 Ca -0.18 -0.30 0.01 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 2.34 4.27 -4.57 1.61 6.94 -1.26 -4.90 115.26 119.68 1nwt n ASN 323 Ca 0.00 -2.76 -0.32 0.00 -0.02 0.00 0.00 54.58 51.48 1nwt n ASN 323 Cb 0.00 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 36.66 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 -2.29 2.49 -0.05 -3.83 -1.52 -0.65 -0.05 119.66 113.76 1nwt s GLN 324 Ca 0.40 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 53.03 1nwt s GLN 324 Cb 0.31 -2.46 0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1nwt s GLN 324 CO 0.11 0.60 0.11 -0.46 -0.25 0.00 0.00 175.29 175.39 1nwt s TRP 325 N -0.98 -0.10 -0.02 0.91 -0.00 -0.61 -2.07 118.94 116.07 1nwt s TRP 325 Ca 0.16 0.36 -0.00 0.00 -0.00 0.00 0.00 56.10 56.62 1nwt s TRP 325 Cb -0.11 -0.13 0.03 0.00 -0.00 0.00 0.00 33.47 33.26 1nwt s TRP 325 CO 0.07 -0.14 0.04 0.54 -0.00 0.00 0.00 176.95 177.47 1nwt s VAL 326 N 1.09 -0.05 -0.22 5.86 0.11 -0.37 0.03 120.40 126.84 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 -0.11 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1nwt s VAL 326 CO -0.05 0.08 0.13 -0.83 -3.33 0.00 0.00 175.10 171.10 1nwt s GLY 327 N 0.97 1.98 0.12 6.54 0.00 -0.65 -1.07 107.32 115.20 1nwt s GLY 327 Ca -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1nwt s GLY 327 CO -0.03 0.28 0.16 1.58 0.00 0.00 0.00 173.10 175.10 1nwt n TYR 328 N 4.00 -0.77 -5.21 1.90 4.11 -1.05 -1.74 117.16 118.40 1nwt n TYR 328 Ca -0.16 -0.80 -0.30 0.00 -0.00 0.00 0.00 57.90 56.64 1nwt n TYR 328 Cb 0.52 0.19 -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 2.87 0.37 9.48 1.01 -1.26 -3.85 116.67 123.56 1nwt s ASP 329 Ca 0.10 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 52.92 1nwt s ASP 329 Cb -0.00 -0.49 -0.01 0.00 1.01 0.00 0.00 42.92 43.43 1nwt s ASP 329 CO 0.07 0.27 0.06 -0.90 0.21 0.00 0.00 175.17 174.89 1nwt n ASP 330 N 2.66 2.13 -0.34 0.27 5.68 -1.26 -4.94 116.55 120.75 1nwt n ASP 330 Ca -0.16 -2.80 0.12 0.00 -0.50 0.00 0.00 54.79 51.45 1nwt n ASP 330 Cb 0.52 0.58 0.30 0.00 -1.14 0.00 0.00 41.12 41.38 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 0.67 -0.24 0.11 4.20 -1.93 -1.16 115.11 116.78 1nwt h GLN 331 Ca -0.30 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1nwt h GLN 331 Cb 1.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1nwt h GLN 331 CO 0.49 0.45 -0.05 1.49 -0.67 0.00 0.00 178.83 180.53 1nwt h GLU 332 N 0.69 0.46 -0.31 1.46 4.81 -1.99 -2.74 114.58 116.95 1nwt h GLU 332 Ca 0.56 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1nwt h GLU 332 Cb 0.88 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1nwt h GLU 332 CO -0.40 0.68 -0.12 0.66 -0.73 0.00 0.00 179.01 179.11 1nwt h SER 333 N 0.20 0.65 0.14 1.04 4.64 -1.66 -2.80 113.55 115.76 1nwt h SER 333 Ca 0.06 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1nwt h SER 333 Cb 0.51 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1nwt h SER 333 CO 0.02 0.89 -0.12 -0.37 -0.87 0.00 0.00 176.83 176.38 1nwt h VAL 334 N 0.40 1.01 -0.12 0.95 -1.51 -1.30 -0.78 116.25 114.91 1nwt h VAL 334 Ca 0.07 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 1nwt h VAL 334 Cb 0.63 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1nwt h VAL 334 CO 0.04 0.12 0.03 0.50 -1.23 0.00 0.00 177.57 177.03 1nwt h LYS 335 N 0.00 0.19 -0.68 5.19 3.64 -1.30 -0.78 116.57 122.83 1nwt h LYS 335 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1nwt h LYS 335 Cb 0.23 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1nwt h LYS 335 CO 0.02 0.35 0.40 0.77 -2.27 0.00 0.00 179.45 178.71 1nwt h SER 336 N -0.00 0.83 -0.56 4.20 0.02 -1.11 -1.27 113.55 115.66 1nwt h SER 336 Ca 0.04 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1nwt h SER 336 Cb 0.24 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1nwt h SER 336 CO 0.00 0.66 0.32 0.11 -1.14 0.00 0.00 176.83 176.78 1nwt h LYS 337 N 0.93 0.79 -0.26 3.45 1.57 -0.91 0.08 116.57 122.22 1nwt h LYS 337 Ca 0.24 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1nwt h LYS 337 Cb -0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1nwt h LYS 337 CO -0.04 0.58 -0.18 0.28 -0.57 0.00 0.00 179.45 179.51 1nwt h VAL 338 N 0.80 1.31 -0.36 0.50 2.07 -0.55 -1.64 116.25 118.38 1nwt h VAL 338 Ca 0.21 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.49 1nwt h VAL 338 Cb 0.01 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 1nwt h VAL 338 CO -0.03 0.41 -0.15 -0.61 0.02 0.00 0.00 177.57 177.21 1nwt h GLN 339 N 0.31 -0.08 -0.06 1.57 5.75 -0.50 0.34 115.11 122.45 1nwt h GLN 339 Ca 0.05 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1nwt h GLN 339 Cb 0.72 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.24 1nwt h GLN 339 CO 0.05 -0.05 -0.17 -0.92 -2.65 0.00 0.00 178.83 175.09 1nwt h TYR 340 N -0.08 -0.44 -0.37 3.99 3.20 -0.82 0.34 116.97 122.79 1nwt h TYR 340 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1nwt h TYR 340 Cb 0.35 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1nwt h TYR 340 CO -0.37 -0.24 0.12 1.37 -1.64 0.00 0.00 178.16 177.39 1nwt h LEU 341 N -0.25 0.48 -0.18 2.82 8.10 -0.58 -1.06 115.31 124.64 1nwt h LEU 341 Ca 0.07 -0.05 -0.12 0.00 0.11 0.00 0.00 57.88 57.89 1nwt h LEU 341 Cb 0.35 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1nwt h LEU 341 CO -0.20 0.46 -0.35 0.11 -4.11 0.00 0.00 178.44 174.35 1nwt h LYS 342 N 0.53 0.56 -0.03 0.17 1.57 -0.49 -0.67 116.57 118.19 1nwt h LYS 342 Ca 0.13 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1nwt h LYS 342 Cb 0.15 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nwt h LYS 342 CO -0.01 0.97 0.03 -0.44 -0.57 0.00 0.00 179.45 179.43 1nwt h ASP 343 N 0.21 0.00 0.55 0.86 3.32 -0.48 0.29 116.42 121.17 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 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 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 -4.07 0.05 -3.45 3.56 5.12 -0.44 -4.97 116.66 112.46 1nwt n ARG 344 Ca -0.02 -0.03 -0.20 0.00 -1.93 0.00 0.00 57.85 55.67 1nwt n ARG 344 Cb 0.13 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.01 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 -1.45 -6.96 -2.22 5.56 6.02 0.10 -4.97 117.38 113.47 1nwt n GLN 345 Ca 0.06 0.79 -0.27 0.00 -0.01 0.00 0.00 57.00 57.57 1nwt n GLN 345 Cb 0.34 -5.68 0.05 0.00 1.02 0.00 0.00 30.24 25.97 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 -6.57 2.95 0.49 1.08 1.43 -0.57 -4.17 118.68 113.33 1nwt s LEU 346 Ca 0.31 0.64 0.20 0.00 -1.03 0.00 0.00 54.13 54.25 1nwt s LEU 346 Cb -0.14 -3.35 1.26 0.00 0.03 0.00 0.00 46.19 43.98 1nwt s LEU 346 CO 0.69 -1.40 2.07 0.00 0.23 0.00 0.00 176.35 177.93 1nwt h ALA 347 N -0.48 1.62 0.00 4.21 0.00 0.12 -3.46 119.26 121.26 1nwt h ALA 347 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 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 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1nwt n GLY 348 N -1.05 0.08 3.54 0.00 0.00 -1.23 -0.76 105.19 105.77 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 2.85 -0.04 4.61 0.00 -0.92 -1.02 121.76 126.25 1nwt s ALA 349 Ca 0.00 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.51 1nwt s ALA 349 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1nwt s ALA 349 CO 0.00 0.45 -0.23 1.41 0.00 0.00 0.00 175.76 177.39 1nwt s MET 350 N -2.80 2.16 -0.09 0.00 0.00 0.40 -1.58 119.30 117.38 1nwt s MET 350 Ca 0.24 -0.84 0.04 0.00 0.00 0.00 0.00 55.69 55.12 1nwt s MET 350 Cb -0.09 -1.94 -0.01 0.00 0.00 0.00 0.00 34.83 32.79 1nwt s MET 350 CO 0.14 0.43 -0.21 0.08 0.00 0.00 0.00 175.02 175.45 1nwt s VAL 351 N -0.33 2.32 -0.24 10.11 1.01 0.12 0.52 120.40 133.90 1nwt s VAL 351 Ca 0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1nwt s VAL 351 Cb -0.11 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.44 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 0.15 1.71 0.10 5.22 -0.11 -1.08 -1.60 118.94 123.34 1nwt s TRP 352 Ca -0.12 -1.44 -0.01 0.00 1.22 0.00 0.00 56.10 55.75 1nwt s TRP 352 Cb -0.16 -1.44 -0.04 0.00 -1.50 0.00 0.00 33.47 30.33 1nwt s TRP 352 CO 0.06 -0.75 0.04 0.00 -4.62 0.00 0.00 176.95 171.69 1nwt s ALA 353 N 1.62 0.71 0.42 5.86 0.00 -1.26 -1.73 121.76 127.38 1nwt s ALA 353 Ca 0.01 -1.36 0.15 0.00 0.00 0.00 0.00 51.96 50.76 1nwt s ALA 353 Cb -0.18 0.67 1.02 0.00 0.00 0.00 0.00 23.12 24.63 1nwt s ALA 353 CO -0.12 -0.45 1.92 -0.07 0.00 0.00 0.00 175.76 177.04 1nwt h LEU 354 N 2.95 0.42 -0.26 0.00 3.38 -1.03 -0.27 115.31 120.49 1nwt h LEU 354 Ca -0.35 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1nwt h LEU 354 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nwt h LEU 354 CO 0.61 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 178.46 1nwt n ASP 355 N -4.48 0.39 -0.00 -0.43 5.68 -1.26 -3.00 116.55 113.45 1nwt n ASP 355 Ca 0.14 -1.38 0.06 0.00 -0.50 0.00 0.00 54.79 53.10 1nwt n ASP 355 Cb 0.50 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.57 0.21 -4.83 -2.12 4.77 -0.13 -4.90 117.00 109.42 1nwt n LEU 356 Ca 0.17 -0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 1nwt n LEU 356 Cb 0.14 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 1nwt n LEU 356 CO 0.13 0.05 0.76 -0.62 -1.33 0.00 0.00 177.39 176.38 1nwt s ASP 357 N -2.91 3.54 -1.29 -1.43 -1.08 -1.10 -0.87 116.67 111.53 1nwt s ASP 357 Ca -0.01 0.75 -0.17 0.00 -0.52 0.00 0.00 52.55 52.60 1nwt s ASP 357 Cb 0.08 -1.18 0.09 0.00 -1.46 0.00 0.00 42.92 40.45 1nwt s ASP 357 CO 0.50 -2.51 1.72 -0.67 0.52 0.00 0.00 175.17 174.73 1nwt n ASP 358 N -3.70 4.94 0.22 -0.34 2.03 -1.26 -4.58 116.55 113.86 1nwt n ASP 358 Ca 0.09 -2.93 0.09 0.00 0.52 0.00 0.00 54.79 52.57 1nwt n ASP 358 Cb 0.60 -1.71 0.51 0.00 -0.72 0.00 0.00 41.12 39.79 1nwt n ASP 358 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1nwt h PHE 359 N 7.39 0.00 0.01 -0.67 -0.00 -1.90 0.49 116.94 122.26 1nwt h PHE 359 Ca 0.43 0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 58.21 1nwt h PHE 359 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.79 1nwt h PHE 359 CO 1.37 0.24 -0.90 1.96 -0.00 0.00 0.00 178.31 180.98 1nwt h GLN 360 N 0.00 0.07 -0.04 6.09 1.08 -1.90 -3.40 115.11 117.01 1nwt h GLN 360 Ca -0.00 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1nwt h GLN 360 Cb 0.65 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1nwt h GLN 360 CO 0.03 0.92 -0.02 0.41 -0.95 0.00 0.00 178.83 179.22 1nwt n GLY 361 N 1.00 0.40 0.00 3.46 0.00 -0.91 -4.76 105.19 104.37 1nwt n GLY 361 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.21 0.83 0.04 1.61 3.41 -1.26 -3.41 113.62 114.63 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 0.52 -0.43 7.33 -1.00 -1.90 -3.37 116.94 118.10 1nwt h PHE 363 Ca 0.00 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.40 1nwt h PHE 363 Cb 0.46 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1nwt h PHE 363 CO 0.00 1.59 0.00 0.00 -1.61 0.00 0.00 178.31 178.29 1nwt n GLY 365 N 1.43 -1.99 3.69 0.00 0.00 -1.26 -4.89 105.19 102.17 1nwt n GLY 365 Ca 0.19 -1.38 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 -0.93 0.00 -0.75 1.61 1.13 -1.26 -3.69 117.38 113.48 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 0.06 -3.32 -0.01 0.00 0.11 0.00 0.00 30.24 27.07 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 -3.35 -4.73 1.08 8.00 -1.22 -4.89 116.55 111.44 1nwt n ASP 367 Ca 0.00 0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1nwt n ASP 367 Cb 0.00 -2.39 -0.05 0.00 -0.02 0.00 0.00 41.12 38.66 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 -0.84 4.38 0.20 0.64 2.96 -1.24 -4.85 118.68 119.93 1nwt s LEU 368 Ca 0.00 1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 55.11 1nwt s LEU 368 Cb 0.00 -3.15 -0.07 0.00 0.50 0.00 0.00 46.19 43.47 1nwt s LEU 368 CO 0.00 -0.05 0.56 -0.13 -1.32 0.00 0.00 176.35 175.40 1nwt s ARG 369 N 0.39 3.88 -1.28 1.98 0.52 -1.26 -4.15 118.95 119.02 1nwt s ARG 369 Ca 0.38 0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 55.87 1nwt s ARG 369 Cb -0.19 -2.75 -0.00 0.00 0.52 0.00 0.00 34.95 32.53 1nwt s ARG 369 CO 0.20 0.38 0.60 1.19 0.02 0.00 0.00 175.30 177.69 1nwt n PHE 370 N 0.24 -1.76 -0.16 -0.53 3.72 0.12 -4.77 117.46 114.31 1nwt n PHE 370 Ca -0.02 0.61 -0.03 0.00 -0.05 0.00 0.00 57.45 57.96 1nwt n PHE 370 Cb 0.52 -3.63 0.07 0.00 -0.94 0.00 0.00 39.48 35.50 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 -1.90 0.34 -0.10 -1.08 0.13 -1.75 0.24 132.00 127.89 1nwt h PRO 371 Ca -0.65 -0.02 -0.03 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 0.56 0.22 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.44 1nwt h LEU 372 N 0.35 0.20 -0.54 1.56 3.38 -1.94 -0.48 115.31 117.84 1nwt h LEU 372 Ca 0.25 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1nwt h LEU 372 Cb 0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1nwt h LEU 372 CO -0.26 0.56 0.16 0.74 0.09 0.00 0.00 178.44 179.73 1nwt h THR 373 N -0.16 1.24 -0.51 0.22 2.02 -1.91 -1.18 112.91 112.63 1nwt h THR 373 Ca 0.02 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1nwt h THR 373 Cb 0.48 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1nwt h THR 373 CO 0.01 0.30 0.10 0.78 0.37 0.00 0.00 175.52 177.08 1nwt h ASN 374 N 0.76 0.75 -0.81 4.18 2.35 -0.53 0.37 115.58 122.64 1nwt h ASN 374 Ca 0.17 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1nwt h ASN 374 Cb 0.29 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1nwt h ASN 374 CO -0.00 0.75 0.40 0.00 -1.65 0.00 0.00 177.43 176.93 1nwt h ALA 375 N 1.34 1.16 -0.29 -0.83 0.00 -0.60 0.95 119.26 121.00 1nwt h ALA 375 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1nwt h ALA 375 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nwt h ALA 375 CO 0.00 0.64 -0.09 0.82 0.00 0.00 0.00 179.25 180.63 1nwt h ILE 376 N 1.16 1.29 -0.04 0.00 2.04 -0.46 -1.86 117.51 119.64 1nwt h ILE 376 Ca 0.28 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1nwt h ILE 376 Cb 0.11 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1nwt h ILE 376 CO -0.04 0.36 -0.00 0.50 0.00 0.00 0.00 178.15 178.97 1nwt h LYS 377 N 0.32 0.01 -0.33 2.37 3.64 -0.53 -1.60 116.57 120.45 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 0.58 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1nwt h LYS 377 CO 0.03 0.01 0.08 -0.44 -2.27 0.00 0.00 179.45 176.86 1nwt h ASP 378 N 0.01 0.05 -0.82 4.20 3.32 -0.78 -2.25 116.42 120.14 1nwt h ASP 378 Ca 0.02 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1nwt h ASP 378 Cb 0.02 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1nwt h ASP 378 CO -0.03 0.06 0.54 0.00 -1.72 0.00 0.00 179.24 178.09 1nwt h ALA 379 N 1.23 1.49 -0.34 3.45 0.00 -1.09 -0.98 119.26 123.02 1nwt h ALA 379 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1nwt h ALA 379 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1nwt h ALA 379 CO -0.19 0.44 -0.08 -0.07 0.00 0.00 0.00 179.25 179.35 1nwt h LEU 380 N 1.03 0.55 0.00 0.00 3.38 -0.72 -2.86 115.31 116.69 1nwt h LEU 380 Ca 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1nwt h LEU 380 Cb 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1nwt h LEU 380 CO -0.09 0.67 -0.47 0.00 0.09 0.00 0.00 178.44 178.64 1nwt h ALA 381 N 1.39 0.78 -2.07 1.53 0.00 -1.00 -3.47 119.26 116.42 1nwt h ALA 381 Ca 0.10 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1nwt h ALA 381 Cb 0.46 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 s ALA 382 N -3.21 -0.86 0.00 0.00 0.00 -0.43 -5.11 121.76 112.14 1nwt s ALA 382 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1nwt s ALA 382 Cb 0.07 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1nwt s ALA 382 CO 0.73 -4.29 0.00 2.41 0.00 0.00 0.00 175.76 174.61