#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 4.36 -0.52 -0.72 1.02 0.06 -4.96 119.74 118.98 1nwt s LYS 23 Ca 0.00 0.95 0.03 0.00 0.02 0.00 0.00 55.97 56.98 1nwt s LYS 23 Cb 0.00 -3.07 0.15 0.00 -0.52 0.00 0.00 37.83 34.39 1nwt s LYS 23 CO 0.00 0.50 0.33 -1.17 -0.92 0.00 0.00 175.35 174.09 1nwt s LEU 24 N -1.54 3.17 -0.23 3.17 2.96 -1.26 -2.10 118.68 122.85 1nwt s LEU 24 Ca 0.38 -3.09 -0.29 0.00 -0.22 0.00 0.00 54.13 50.91 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 -0.19 1.09 -0.69 -1.32 0.00 0.00 176.35 175.46 1nwt s VAL 25 N -0.27 4.58 -0.07 1.68 1.01 -0.65 -1.98 120.40 124.70 1nwt s VAL 25 Ca 0.23 1.89 0.05 0.00 0.00 0.00 0.00 61.98 64.15 1nwt s VAL 25 Cb -0.13 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1nwt s VAL 25 CO -0.08 -0.21 -0.24 0.00 0.00 0.00 0.00 175.10 174.56 1nwt s TYR 27 N 0.04 3.55 -0.05 0.00 2.02 -0.66 0.45 117.35 122.71 1nwt s TYR 27 Ca -0.09 0.76 0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1nwt s TYR 27 Cb -0.15 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 1nwt s TYR 27 CO 0.05 0.48 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.95 1nwt s TYR 28 N -1.47 1.16 -0.16 2.71 5.04 -0.07 -0.68 117.35 123.88 1nwt s TYR 28 Ca 0.36 -0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 54.52 1nwt s TYR 28 Cb -0.13 -0.88 -0.04 0.00 0.35 0.00 0.00 41.96 41.25 1nwt s TYR 28 CO 0.19 -0.22 0.12 0.95 -1.34 0.00 0.00 175.55 175.26 1nwt s THR 29 N 0.64 5.31 0.00 4.34 -4.23 -1.26 -0.78 115.64 119.67 1nwt s THR 29 Ca -0.12 0.15 0.31 0.00 -1.18 0.00 0.00 61.69 60.85 1nwt s THR 29 Cb -0.14 -3.37 0.33 0.00 1.34 0.00 0.00 72.50 70.66 1nwt s THR 29 CO 0.02 0.52 1.93 0.77 -0.54 0.00 0.00 174.62 177.32 1nwt h SER 30 N 5.91 0.00 0.14 3.99 4.64 -0.96 -2.93 113.55 124.34 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 0.67 0.00 -0.25 -2.67 -0.87 0.00 0.00 176.83 173.71 1nwt n TRP 31 N -2.68 0.00 0.37 4.77 2.14 -1.26 -4.02 117.44 116.76 1nwt n TRP 31 Ca -0.00 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.71 1nwt n TRP 31 Cb 0.17 -0.08 0.51 0.00 -0.81 0.00 0.00 31.31 31.11 1nwt n TRP 31 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 1nwt h SER 32 N 1.72 0.00 0.18 -0.67 4.64 -1.79 -2.99 113.55 114.65 1nwt h SER 32 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1nwt h SER 32 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1nwt h SER 32 CO 0.00 0.00 -0.16 0.06 -0.87 0.00 0.00 176.83 175.86 1nwt h GLN 33 N 0.00 0.00 -0.05 4.77 3.07 -1.68 -2.05 115.11 119.17 1nwt h GLN 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1nwt h GLN 33 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1nwt h GLN 33 CO 0.00 0.16 0.00 0.66 0.09 0.00 0.00 178.83 179.74 1nwt n TYR 34 N -4.27 0.06 -2.59 0.06 4.01 -1.13 -4.41 117.16 108.90 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 0.23 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1nwt n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nwt s ARG 35 N -1.94 4.65 0.52 -0.72 0.52 -1.04 -4.94 118.95 116.00 1nwt s ARG 35 Ca 0.32 1.64 -0.19 0.00 -0.52 0.00 0.00 55.73 56.98 1nwt s ARG 35 Cb 0.16 -3.29 -0.11 0.00 0.52 0.00 0.00 34.95 32.23 1nwt s ARG 35 CO 0.26 0.17 0.39 0.39 0.02 0.00 0.00 175.30 176.53 1nwt n GLU 36 N 2.25 0.42 0.00 3.54 1.02 -1.26 -1.35 120.64 125.25 1nwt n GLU 36 Ca 0.02 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1nwt n GLU 36 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.46 0.00 0.62 0.00 -1.26 0.06 105.19 108.00 1nwt n GLY 37 Ca 0.11 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 0.99 0.00 0.15 1.61 8.00 -1.26 -2.04 116.55 123.99 1nwt n ASP 38 Ca 0.00 0.31 0.02 0.00 0.71 0.00 0.00 54.79 55.83 1nwt n ASP 38 Cb 0.00 -0.38 0.17 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 1.38 0.00 -4.79 0.44 0.00 -0.55 -3.45 103.07 96.11 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 -6.56 6.46 -0.08 0.19 0.15 -0.46 -4.61 113.70 108.79 1nwt s SER 40 Ca 0.01 2.74 -0.00 0.00 0.70 0.00 0.00 55.95 59.39 1nwt s SER 40 Cb 0.10 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1nwt s SER 40 CO 0.73 -0.94 -0.04 0.00 1.20 0.00 0.00 173.24 174.19 1nwt s PHE 42 N 1.56 2.80 0.46 0.00 0.40 -1.26 -3.14 117.98 118.80 1nwt s PHE 42 Ca 0.00 -0.16 0.27 0.00 -0.60 0.00 0.00 56.93 56.45 1nwt s PHE 42 Cb -0.13 -1.36 1.32 0.00 0.51 0.00 0.00 43.02 43.37 1nwt s PHE 42 CO -0.04 0.52 1.78 -1.35 0.70 0.00 0.00 175.22 176.82 1nwt h PRO 43 N 2.76 0.19 0.00 0.24 0.11 -1.89 0.10 132.00 133.52 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 32.27 1nwt h PRO 43 CO 0.57 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1nwt n ASP 44 N -4.44 0.00 -0.51 -2.05 5.75 -1.26 -1.74 116.55 112.30 1nwt n ASP 44 Ca 0.26 0.06 0.13 0.00 -0.01 0.00 0.00 54.79 55.23 1nwt n ASP 44 Cb 1.08 -0.30 0.38 0.00 -1.03 0.00 0.00 41.12 41.25 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 -1.30 2.74 -2.35 2.12 0.00 0.36 -4.90 120.51 117.18 1nwt n ALA 45 Ca 0.08 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 1nwt n ALA 45 Cb 0.15 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 4.47 -0.29 0.00 1.43 -0.71 -5.02 118.68 116.41 1nwt s LEU 46 Ca 0.32 1.31 -0.29 0.00 -1.03 0.00 0.00 54.13 54.44 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 0.14 1.42 -0.62 0.23 0.00 0.00 176.35 177.91 1nwt s ASP 47 N -0.50 6.51 0.54 2.29 -1.08 -1.26 -4.89 116.67 118.29 1nwt s ASP 47 Ca 0.33 1.28 0.36 0.00 -0.52 0.00 0.00 52.55 53.99 1nwt s ASP 47 Cb -0.20 -2.54 1.84 0.00 -1.46 0.00 0.00 42.92 40.57 1nwt s ASP 47 CO 0.20 -1.20 2.10 0.08 0.52 0.00 0.00 175.17 176.86 1nwt h ARG 48 N 10.03 0.00 -0.01 4.34 0.11 -1.96 -2.57 114.38 124.32 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 -0.54 1.19 0.10 0.00 0.00 179.97 181.75 1nwt n PHE 49 N -2.85 0.00 0.25 4.08 3.72 -1.26 -4.62 117.46 116.78 1nwt n PHE 49 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.23 1nwt n PHE 49 Cb 0.13 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.58 -0.51-10.15 4.37 5.85 -1.86 -3.46 115.31 111.13 1nwt h LEU 50 Ca 0.00 -0.05 -0.52 0.00 0.84 0.00 0.00 57.88 58.15 1nwt h LEU 50 Cb 0.61 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1nwt h LEU 50 CO 0.00 -0.26 -0.39 0.00 -0.34 0.00 0.00 178.44 177.45 1nwt n THR 52 N -1.53 1.44 -3.92 0.00 -2.24 -0.84 -4.86 114.28 102.34 1nwt n THR 52 Ca 0.02 -0.83 -0.18 0.00 -2.27 0.00 0.00 64.05 60.79 1nwt n THR 52 Cb 0.63 -0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 68.05 1nwt n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nwt s HIS 53 N -2.51 0.40 -0.21 4.78 3.76 -1.12 -1.04 115.29 119.34 1nwt s HIS 53 Ca -0.10 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1nwt s HIS 53 Cb 0.07 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.27 1nwt s HIS 53 CO 0.82 -0.17 -0.11 0.42 -0.85 0.00 0.00 174.74 174.85 1nwt s ILE 54 N 1.21 2.66 -0.19 0.60 1.01 -0.59 0.51 121.20 126.41 1nwt s ILE 54 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1nwt s ILE 54 Cb -0.13 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1nwt s ILE 54 CO -0.02 0.38 0.08 -0.63 0.00 0.00 0.00 174.94 174.75 1nwt s ILE 55 N 1.34 4.95 -0.07 2.92 1.01 0.17 -2.44 121.20 129.08 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 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1nwt s ILE 55 CO -0.07 0.45 0.70 -0.47 0.00 0.00 0.00 174.94 175.54 1nwt s TYR 56 N 0.42 3.57 -0.08 3.97 5.04 0.20 -0.89 117.35 129.57 1nwt s TYR 56 Ca 0.04 1.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.93 1nwt s TYR 56 Cb -0.12 -2.80 0.01 0.00 0.35 0.00 0.00 41.96 39.40 1nwt s TYR 56 CO -0.00 0.07 -0.14 -1.12 -1.34 0.00 0.00 175.55 173.02 1nwt s SER 57 N 0.81 2.07 0.23 4.32 0.01 0.04 -0.46 113.70 120.73 1nwt s SER 57 Ca 0.37 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.30 1nwt s SER 57 Cb -0.18 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.06 1nwt s SER 57 CO 0.18 0.04 0.04 -0.36 0.41 0.00 0.00 173.24 173.54 1nwt s PHE 58 N 0.74 1.48 0.18 2.43 0.08 -1.26 -0.20 117.98 121.43 1nwt s PHE 58 Ca -0.13 -1.04 0.00 0.00 0.12 0.00 0.00 56.93 55.88 1nwt s PHE 58 Cb -0.16 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1nwt s PHE 58 CO 0.03 -0.19 0.36 0.00 -0.10 0.00 0.00 175.22 175.31 1nwt s ALA 59 N -3.60 3.87 0.58 5.36 0.00 0.12 -4.54 121.76 123.55 1nwt s ALA 59 Ca 0.31 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.49 1nwt s ALA 59 Cb 0.07 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.33 1nwt s ALA 59 CO 0.10 0.48 0.74 1.21 0.00 0.00 0.00 175.76 178.28 1nwt s ASN 60 N -3.14 4.97 -0.22 0.00 2.47 0.49 -3.72 114.94 115.78 1nwt s ASN 60 Ca 0.37 -0.96 -0.04 0.00 0.42 0.00 0.00 52.86 52.65 1nwt s ASN 60 Cb -0.11 0.42 0.08 0.00 -1.45 0.00 0.00 41.25 40.18 1nwt s ASN 60 CO 0.29 -1.35 0.10 -0.63 -3.72 0.00 0.00 177.10 171.79 1nwt s ILE 61 N -2.72 -0.02 -0.09 -5.21 1.01 -1.26 -1.17 121.20 111.75 1nwt s ILE 61 Ca 0.57 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1nwt s ILE 61 Cb -0.05 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 1nwt s ILE 61 CO 0.36 -0.47 -0.24 -0.44 0.00 0.00 0.00 174.94 174.15 1nwt s SER 62 N 2.09 3.06 -1.51 3.58 0.01 -0.17 -4.67 113.70 116.08 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 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 64.86 1nwt s SER 62 CO -0.21 0.18 0.66 0.59 0.41 0.00 0.00 173.24 174.88 1nwt n ASN 63 N 3.35 -5.88 -1.29 2.44 3.02 -1.26 -1.00 115.26 114.64 1nwt n ASN 63 Ca -0.19 -0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 53.87 1nwt n ASN 63 Cb 0.53 -4.75 -0.06 0.00 -0.61 0.00 0.00 39.78 34.89 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 -2.56 -4.93 -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 55.46 1nwt n ASP 64 Cb 0.60 -3.87 -0.15 0.00 -0.02 0.00 0.00 41.12 37.69 1nwt n ASP 64 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nwt s HIS 65 N -2.62 2.41 0.29 1.24 3.76 -0.17 -1.46 115.29 118.75 1nwt s HIS 65 Ca 0.00 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1nwt s HIS 65 Cb 0.00 -1.52 -0.10 0.00 1.11 0.00 0.00 32.58 32.08 1nwt s HIS 65 CO 0.00 0.03 1.23 -1.50 -0.85 0.00 0.00 174.74 173.65 1nwt s ILE 66 N -0.67 3.10 0.21 0.60 2.07 -1.26 -1.00 121.20 124.25 1nwt s ILE 66 Ca 0.11 1.07 -0.14 0.00 -1.41 0.00 0.00 60.65 60.28 1nwt s ILE 66 Cb -0.10 -3.68 0.01 0.00 0.13 0.00 0.00 42.46 38.82 1nwt s ILE 66 CO -0.00 0.24 0.45 -0.62 -1.91 0.00 0.00 174.94 173.10 1nwt s ASP 67 N -0.50 -0.12 0.95 4.50 2.15 -0.32 -4.86 116.67 118.46 1nwt s ASP 67 Ca 0.48 -0.74 -0.11 0.00 0.43 0.00 0.00 52.55 52.61 1nwt s ASP 67 Cb -0.36 0.55 0.16 0.00 -0.30 0.00 0.00 42.92 42.97 1nwt s ASP 67 CO 0.46 -1.05 1.10 0.42 -0.17 0.00 0.00 175.17 175.93 1nwt s THR 68 N -3.95 2.36 0.03 1.71 -4.23 -1.26 -0.38 115.64 109.92 1nwt s THR 68 Ca 0.16 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1nwt s THR 68 Cb 0.00 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1nwt s THR 68 CO 0.02 -0.15 -0.04 1.87 -0.54 0.00 0.00 174.62 175.78 1nwt n TRP 69 N -4.22 0.00 -2.75 3.99 -0.00 -1.26 -4.23 117.44 108.97 1nwt n TRP 69 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.27 1nwt n TRP 69 Cb 0.53 -0.08 -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 -2.09 3.97 0.40 5.87 2.56 -1.26 -4.97 118.70 123.18 1nwt s GLU 70 Ca -0.04 0.79 0.07 0.00 0.00 0.00 0.00 54.97 55.79 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 -0.07 2.04 0.11 -0.56 0.00 0.00 175.26 176.83 1nwt h TRP 71 N 1.47 0.51 -0.42 5.30 5.08 -2.00 -2.78 115.95 123.11 1nwt h TRP 71 Ca -0.48 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.46 1nwt h TRP 71 Cb 1.18 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 27.15 1nwt h TRP 71 CO 0.62 0.35 0.03 0.27 -1.28 0.00 0.00 178.44 178.43 1nwt n ASN 72 N -4.45 4.46 -0.14 0.11 6.94 -1.26 -4.72 115.26 116.20 1nwt n ASN 72 Ca 0.03 -3.08 -0.03 0.00 -0.02 0.00 0.00 54.58 51.47 1nwt n ASN 72 Cb 0.08 -0.62 0.04 0.00 -2.36 0.00 0.00 39.78 36.92 1nwt n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nwt h ASP 73 N 2.49 -0.29 -0.97 0.53 3.32 -1.89 -1.25 116.42 118.36 1nwt h ASP 73 Ca 0.05 0.12 0.18 0.00 0.02 0.00 0.00 57.03 57.41 1nwt h ASP 73 Cb 1.74 0.23 -0.11 0.00 0.22 0.00 0.00 39.33 41.42 1nwt h ASP 73 CO 0.39 -0.10 0.57 0.58 -1.72 0.00 0.00 179.24 178.95 1nwt h VAL 74 N 0.06 0.69 -0.22 -1.35 2.07 -1.85 0.82 116.25 116.47 1nwt h VAL 74 Ca 0.22 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1nwt h VAL 74 Cb 0.34 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1nwt h VAL 74 CO -0.42 0.13 -0.13 0.74 0.02 0.00 0.00 177.57 177.92 1nwt h THR 75 N 0.72 1.31 -0.10 2.57 2.02 -1.63 -2.64 112.91 115.17 1nwt h THR 75 Ca 0.56 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 1nwt h THR 75 Cb 0.87 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1nwt h THR 75 CO -0.39 0.38 -0.37 -0.07 0.37 0.00 0.00 175.52 175.44 1nwt h LEU 76 N 0.18 0.20 0.41 2.58 3.38 -0.17 0.01 115.31 121.91 1nwt h LEU 76 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1nwt h LEU 76 Cb 0.64 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1nwt h LEU 76 CO 0.04 0.56 -0.30 1.88 0.09 0.00 0.00 178.44 180.71 1nwt h TYR 77 N 0.17 -0.78 -0.83 1.13 0.05 0.67 0.38 116.97 117.75 1nwt h TYR 77 Ca 0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1nwt h TYR 77 Cb 0.73 0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.72 1nwt h TYR 77 CO 0.01 -0.44 0.50 0.78 -1.05 0.00 0.00 178.16 177.95 1nwt h GLY 78 N -0.70 1.20 1.82 3.88 0.00 -1.28 0.87 103.07 108.87 1nwt h GLY 78 Ca -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1nwt h GLY 78 CO 0.01 0.48 0.05 1.98 0.00 0.00 0.00 176.54 179.06 1nwt h MET 79 N 1.14 0.24 0.02 4.80 -1.53 -0.52 -0.91 114.93 118.17 1nwt h MET 79 Ca 0.30 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.50 1nwt h MET 79 Cb -0.04 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 30.96 1nwt h MET 79 CO -0.06 0.23 -0.17 1.25 0.14 0.00 0.00 176.91 178.30 1nwt h LEU 80 N 0.24 0.07 -0.08 3.39 5.85 0.12 -3.33 115.31 121.58 1nwt h LEU 80 Ca 0.06 -0.97 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1nwt h LEU 80 Cb 0.09 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1nwt h LEU 80 CO -0.00 1.08 0.00 0.59 -0.34 0.00 0.00 178.44 179.76 1nwt n ASN 81 N -4.53 0.05 0.19 1.25 3.02 0.20 -1.63 115.26 113.82 1nwt n ASN 81 Ca -0.11 0.52 0.07 0.00 -0.03 0.00 0.00 54.58 55.02 1nwt n ASN 81 Cb 0.54 -0.53 0.30 0.00 -0.61 0.00 0.00 39.78 39.48 1nwt n ASN 81 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1nwt h THR 82 N 0.00 0.73 0.00 3.41 2.02 -1.27 -2.67 112.91 115.13 1nwt h THR 82 Ca 0.00 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1nwt h THR 82 Cb 0.19 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1nwt h THR 82 CO 0.00 0.33 0.00 -0.07 0.37 0.00 0.00 175.52 176.15 1nwt h LEU 83 N 0.00 0.00 -0.04 2.58 3.38 -1.48 -1.09 115.31 118.67 1nwt h LEU 83 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nwt h LEU 83 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nwt h LEU 83 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86 1nwt n LYS 84 N -2.97 0.14 0.37 1.13 5.02 -1.00 -3.63 118.16 117.22 1nwt n LYS 84 Ca -0.02 0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 1nwt n LYS 84 Cb 0.09 -1.67 -0.09 0.00 -0.02 0.00 0.00 35.03 33.35 1nwt n LYS 84 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1nwt h ASN 85 N 0.00 -0.77 0.45 4.39 2.35 -1.37 -2.96 115.58 117.68 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 39.17 1nwt h ASN 85 CO 0.00 -0.53 -0.09 0.54 -1.65 0.00 0.00 177.43 175.70 1nwt n ARG 86 N -5.47 0.55 -3.47 0.81 1.74 -1.26 -4.38 116.66 105.19 1nwt n ARG 86 Ca -0.14 -0.15 -0.28 0.00 -0.77 0.00 0.00 57.85 56.52 1nwt n ARG 86 Cb 0.37 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 1nwt n ARG 86 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nwt s ASN 87 N -2.55 2.14 0.56 0.55 3.84 -1.13 -5.00 114.94 113.36 1nwt s ASN 87 Ca 0.27 -2.98 0.27 0.00 0.21 0.00 0.00 52.86 50.64 1nwt s ASN 87 Cb 0.20 -0.58 1.49 0.00 -0.55 0.00 0.00 41.25 41.81 1nwt s ASN 87 CO 0.48 -0.19 2.01 -0.65 -2.79 0.00 0.00 177.10 175.96 1nwt h PRO 88 N 5.90 0.00 0.00 0.43 0.11 -1.73 -2.41 132.00 134.30 1nwt h PRO 88 Ca 0.21 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 1nwt h PRO 88 Cb 0.90 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1nwt h PRO 88 CO 0.39 0.00 -0.65 -0.91 -0.21 0.00 0.00 178.00 176.63 1nwt h ASN 89 N 0.00 0.00 -2.13 -2.05 4.21 -1.94 -3.45 115.58 110.21 1nwt h ASN 89 Ca 0.19 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 57.09 1nwt h ASN 89 Cb 0.87 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.12 1nwt h ASN 89 CO -0.00 0.65 0.88 -0.11 -1.29 0.00 0.00 177.43 177.56 1nwt n LEU 90 N -3.55 3.11 -4.75 1.61 7.94 -0.91 -4.96 117.00 115.49 1nwt n LEU 90 Ca -0.00 1.05 -0.32 0.00 -1.11 0.00 0.00 56.01 55.63 1nwt n LEU 90 Cb 0.69 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 43.18 1nwt n LEU 90 CO 0.42 -0.26 -0.28 -0.54 -1.11 0.00 0.00 177.39 175.62 1nwt s LYS 91 N 2.03 2.91 -0.01 1.96 3.01 -0.20 -4.91 119.74 124.52 1nwt s LYS 91 Ca 0.84 -0.60 0.05 0.00 -1.01 0.00 0.00 55.97 55.25 1nwt s LYS 91 Cb -0.71 -2.75 -0.01 0.00 -1.01 0.00 0.00 37.83 33.34 1nwt s LYS 91 CO 0.44 0.61 -0.17 0.99 0.51 0.00 0.00 175.35 177.73 1nwt s THR 92 N -1.24 1.34 0.06 2.17 2.01 -1.26 -1.54 115.64 117.18 1nwt s THR 92 Ca 0.24 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1nwt s THR 92 Cb -0.12 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1nwt s THR 92 CO 0.16 0.36 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.60 1nwt s LEU 93 N -0.44 2.32 -0.23 4.42 1.02 -1.02 0.70 118.68 125.45 1nwt s LEU 93 Ca 0.06 -0.67 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 1nwt s LEU 93 Cb -0.07 -0.22 -0.02 0.00 0.02 0.00 0.00 46.19 45.90 1nwt s LEU 93 CO -0.01 -0.23 -0.00 -0.22 0.02 0.00 0.00 176.35 175.91 1nwt s LEU 94 N -1.95 3.10 -0.03 1.79 2.96 -0.15 -0.63 118.68 123.78 1nwt s LEU 94 Ca -0.03 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 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 -0.02 0.42 -0.55 -1.32 0.00 0.00 176.35 174.87 1nwt s SER 95 N 1.51 6.78 -0.11 3.68 0.15 0.39 -0.98 113.70 125.13 1nwt s SER 95 Ca 0.06 0.92 0.03 0.00 0.70 0.00 0.00 55.95 57.67 1nwt s SER 95 Cb -0.15 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1nwt s SER 95 CO -0.01 0.26 -0.22 0.54 1.20 0.00 0.00 173.24 175.01 1nwt s VAL 96 N -0.72 2.21 0.00 4.45 0.11 0.32 0.13 120.40 126.90 1nwt s VAL 96 Ca 0.24 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1nwt s VAL 96 Cb -0.16 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 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 3.58 0.27 0.00 6.54 0.00 -1.24 -0.97 105.19 113.36 1nwt n GLY 97 Ca -0.19 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.72 0.13 -0.02 0.00 0.74 -4.29 105.19 102.47 1nwt n GLY 98 Ca 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 0.35 0.00 1.61 2.91 -1.91 -2.78 115.95 116.13 1nwt h TRP 99 Ca 0.00 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1nwt h TRP 99 Cb 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.54 1nwt h TRP 99 CO 0.00 0.35 0.00 0.09 -1.03 0.00 0.00 178.44 177.85 1nwt n ASN 100 N -4.82 0.00 0.05 2.65 3.02 -1.26 -3.36 115.26 111.54 1nwt n ASN 100 Ca -0.03 -1.21 -0.20 0.00 -0.03 0.00 0.00 54.58 53.11 1nwt n ASN 100 Cb 0.11 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.60 -0.41 3.10 3.57 -1.67 -3.50 116.94 118.62 1nwt h PHE 101 Ca 0.00 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1nwt h PHE 101 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1nwt h PHE 101 CO 0.00 1.31 0.00 0.41 -2.23 0.00 0.00 178.31 177.80 1nwt n GLY 102 N 1.59 -0.80 0.34 2.40 0.00 -1.21 -4.72 105.19 102.78 1nwt n GLY 102 Ca -0.14 -1.03 0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.99 113.55 114.75 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 -0.24 1.56 -0.87 0.00 0.00 176.83 177.28 1nwt h GLN 104 N 0.00 -0.27 -0.32 4.77 1.08 -1.93 0.22 115.11 118.65 1nwt h GLN 104 Ca 0.11 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1nwt h GLN 104 Cb 0.53 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1nwt h GLN 104 CO -0.00 -0.18 0.16 0.00 -0.95 0.00 0.00 178.83 177.86 1nwt h ARG 105 N -0.28 0.46 -0.70 1.46 3.08 -1.81 -2.86 114.38 113.73 1nwt h ARG 105 Ca 0.11 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.12 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 0.42 0.45 0.74 -1.07 0.00 0.00 179.97 180.18 1nwt h PHE 106 N 0.39 0.85 0.09 3.04 0.04 -1.58 -3.05 116.94 116.72 1nwt h PHE 106 Ca 0.11 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.92 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 0.51 -0.17 1.03 -0.60 0.00 0.00 178.31 179.06 1nwt h SER 107 N 0.90 -0.46 -0.33 2.17 0.87 -0.78 -1.58 113.55 114.34 1nwt h SER 107 Ca 0.27 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.97 1nwt h SER 107 Cb -0.04 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1nwt h SER 107 CO -0.08 -0.24 0.23 0.11 -0.53 0.00 0.00 176.83 176.32 1nwt h LYS 108 N -0.32 0.04 0.21 2.24 1.57 -1.42 0.31 116.57 119.20 1nwt h LYS 108 Ca 0.03 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 1nwt h LYS 108 Cb 0.34 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.67 1nwt h LYS 108 CO -0.10 0.03 -1.31 0.82 -0.57 0.00 0.00 179.45 178.33 1nwt h ILE 109 N 0.04 1.30 0.00 1.86 2.04 -1.36 -2.93 117.51 118.47 1nwt h ILE 109 Ca 0.15 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1nwt h ILE 109 Cb 0.56 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1nwt h ILE 109 CO -0.01 0.78 -0.29 0.00 0.00 0.00 0.00 178.15 178.64 1nwt h ALA 110 N 0.11 0.84 0.13 1.87 0.00 -0.97 -2.02 119.26 119.23 1nwt h ALA 110 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 1nwt h ALA 110 Cb 1.99 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.79 1nwt h ALA 110 CO 0.22 0.00 -1.08 1.03 0.00 0.00 0.00 179.25 179.42 1nwt h SER 111 N 0.00 0.43 -3.09 0.00 0.87 -0.50 -3.45 113.55 107.81 1nwt h SER 111 Ca 0.00 -0.91 -0.57 0.00 -1.23 0.00 0.00 61.79 59.09 1nwt h SER 111 Cb 0.87 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.64 1nwt h SER 111 CO 0.00 1.49 0.75 0.21 -0.53 0.00 0.00 176.83 178.76 1nwt s ASN 112 N -7.01 7.10 0.43 6.23 3.84 -1.10 -4.94 114.94 119.49 1nwt s ASN 112 Ca -0.16 1.52 0.14 0.00 0.21 0.00 0.00 52.86 54.56 1nwt s ASN 112 Cb 0.02 -2.55 1.02 0.00 -0.55 0.00 0.00 41.25 39.20 1nwt s ASN 112 CO 0.80 -0.63 1.97 0.74 -2.79 0.00 0.00 177.10 177.19 1nwt h THR 113 N 5.33 0.88 -0.03 -5.21 2.02 -1.86 -1.48 112.91 112.56 1nwt h THR 113 Ca -0.25 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1nwt h THR 113 Cb 1.10 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1nwt h THR 113 CO 0.94 0.08 -0.27 1.56 0.37 0.00 0.00 175.52 178.20 1nwt h GLN 114 N 0.43 0.23 -0.61 6.66 7.50 -1.92 -3.12 115.11 124.28 1nwt h GLN 114 Ca 0.30 -0.21 -0.04 0.00 0.50 0.00 0.00 58.65 59.20 1nwt h GLN 114 Cb 0.59 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.14 1nwt h GLN 114 CO -0.09 0.89 0.24 0.77 -1.50 0.00 0.00 178.83 179.14 1nwt h SER 115 N -0.35 0.82 -0.63 1.46 0.02 -1.73 -1.53 113.55 111.62 1nwt h SER 115 Ca -0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1nwt h SER 115 Cb 0.96 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1nwt h SER 115 CO 0.05 0.74 0.41 -0.09 -1.14 0.00 0.00 176.83 176.81 1nwt h ARG 116 N 0.88 0.83 0.04 3.45 2.43 -0.49 0.69 114.38 122.21 1nwt h ARG 116 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1nwt h ARG 116 Cb 0.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nwt h ARG 116 CO -0.02 0.56 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.90 1nwt h ARG 117 N 0.85 -0.05 -0.19 0.20 9.65 -1.39 -0.49 114.38 122.98 1nwt h ARG 117 Ca 0.23 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.17 1nwt h ARG 117 Cb -0.08 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 1nwt h ARG 117 CO -0.05 0.16 -0.23 1.15 2.80 0.00 0.00 179.97 183.80 1nwt h THR 118 N -0.24 0.43 0.27 0.20 2.02 -0.99 0.40 112.91 115.00 1nwt h THR 118 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1nwt h THR 118 Cb 0.22 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1nwt h THR 118 CO 0.01 0.00 -0.39 0.15 0.37 0.00 0.00 175.52 175.66 1nwt h PHE 119 N -0.26 -1.08 -0.48 3.16 3.57 0.30 -1.39 116.94 120.76 1nwt h PHE 119 Ca 0.12 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1nwt h PHE 119 Cb 0.44 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1nwt h PHE 119 CO -0.36 -0.52 0.15 0.82 -2.23 0.00 0.00 178.31 176.18 1nwt h ILE 120 N -0.72 0.82 -0.60 1.41 2.04 -0.80 -2.07 117.51 117.58 1nwt h ILE 120 Ca -0.01 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1nwt h ILE 120 Cb 0.69 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1nwt h ILE 120 CO -0.14 0.06 0.34 0.50 0.00 0.00 0.00 178.15 178.91 1nwt h LYS 121 N 0.32 0.82 0.00 2.37 3.64 -0.71 -2.66 116.57 120.34 1nwt h LYS 121 Ca 0.23 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1nwt h LYS 121 Cb 0.25 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1nwt h LYS 121 CO -0.25 0.59 0.00 0.66 -2.27 0.00 0.00 179.45 178.18 1nwt h SER 122 N 0.83 0.00 0.26 4.20 4.64 -0.55 -3.37 113.55 119.57 1nwt h SER 122 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1nwt h SER 122 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1nwt h SER 122 CO -0.04 0.00 -0.13 0.58 -0.87 0.00 0.00 176.83 176.38 1nwt h VAL 123 N 0.00 0.74 -0.24 0.95 2.07 -1.18 -3.06 116.25 115.53 1nwt h VAL 123 Ca 0.00 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1nwt h VAL 123 Cb 0.65 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1nwt h VAL 123 CO 0.00 0.14 -0.21 -0.65 0.02 0.00 0.00 177.57 176.88 1nwt h PRO 124 N -0.77 -0.20 -0.25 1.57 0.11 -1.72 -0.83 132.00 129.91 1nwt h PRO 124 Ca -0.04 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.14 1nwt h PRO 124 Cb 0.50 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 1nwt h PRO 124 CO 0.06 -0.13 -0.07 -1.35 -0.21 0.00 0.00 178.00 176.30 1nwt h PRO 125 N -0.21 -0.01 -0.89 1.05 0.11 -1.77 -0.61 132.00 129.66 1nwt h PRO 125 Ca 0.14 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.34 1nwt h PRO 125 Cb 0.41 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.45 1nwt h PRO 125 CO -0.36 -0.01 0.54 0.35 -0.21 0.00 0.00 178.00 178.31 1nwt h PHE 126 N -0.01 0.98 -0.24 0.65 3.57 -1.36 0.29 116.94 120.82 1nwt h PHE 126 Ca 0.12 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 1nwt h PHE 126 Cb 0.20 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1nwt h PHE 126 CO -0.26 0.41 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.81 1nwt h LEU 127 N 0.89 0.73 -0.45 0.59 3.38 -0.52 -2.47 115.31 117.45 1nwt h LEU 127 Ca 0.43 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1nwt h LEU 127 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nwt h LEU 127 CO -0.24 1.10 -0.06 0.03 0.09 0.00 0.00 178.44 179.35 1nwt h ARG 128 N 0.37 0.84 -0.61 1.13 2.47 -0.67 0.76 114.38 118.68 1nwt h ARG 128 Ca 0.02 -0.30 0.03 0.00 -1.26 0.00 0.00 59.98 58.48 1nwt h ARG 128 Cb 0.94 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 1nwt h ARG 128 CO 0.08 0.93 0.40 1.15 0.56 0.00 0.00 179.97 183.09 1nwt h THR 129 N 0.68 1.08 -0.51 2.04 2.02 -0.44 -2.92 112.91 114.87 1nwt h THR 129 Ca 0.12 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1nwt h THR 129 Cb 0.59 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 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 -4.46 0.67 -1.76 3.16 8.25 -0.94 -4.99 115.22 115.15 1nwt n HIS 130 Ca 0.07 -0.46 -0.04 0.00 -0.26 0.00 0.00 57.72 57.03 1nwt n HIS 130 Cb 0.14 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 1.08 0.36 3.88 -1.41 0.00 -0.51 -4.67 105.19 103.92 1nwt n GLY 131 Ca 0.18 -0.79 -0.33 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 -2.17 3.50 -0.87 1.61 0.08 0.14 -4.91 117.98 115.38 1nwt s PHE 132 Ca 0.00 0.70 0.24 0.00 0.12 0.00 0.00 56.93 57.99 1nwt s PHE 132 Cb 0.00 -2.11 0.26 0.00 -0.57 0.00 0.00 43.02 40.61 1nwt s PHE 132 CO 0.00 0.43 1.23 -0.25 -0.10 0.00 0.00 175.22 176.54 1nwt n ASP 133 N 0.35 0.62 -3.85 1.36 8.00 0.22 -4.51 116.55 118.74 1nwt n ASP 133 Ca -0.04 -0.32 0.03 0.00 0.71 0.00 0.00 54.79 55.18 1nwt n ASP 133 Cb 0.52 0.49 0.01 0.00 -0.02 0.00 0.00 41.12 42.12 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 -3.23 -0.23 0.00 0.44 0.00 -0.95 -0.69 107.32 102.66 1nwt s GLY 134 Ca 0.08 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.12 1nwt s GLY 134 CO 0.75 4.92 -0.17 -2.27 0.00 0.00 0.00 173.10 176.33 1nwt s LEU 135 N -3.69 2.60 -0.18 0.66 2.96 0.31 -0.98 118.68 120.37 1nwt s LEU 135 Ca 0.27 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1nwt s LEU 135 Cb 0.01 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.20 1nwt s LEU 135 CO -0.03 0.30 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.49 1nwt s ASP 136 N -1.09 3.19 -0.29 3.68 2.15 -0.15 -1.45 116.67 122.71 1nwt s ASP 136 Ca 0.13 -0.64 -0.21 0.00 0.43 0.00 0.00 52.55 52.27 1nwt s ASP 136 Cb -0.10 -1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 41.01 1nwt s ASP 136 CO 0.03 -0.00 0.66 -0.76 -0.17 0.00 0.00 175.17 174.92 1nwt s LEU 137 N 1.30 4.11 -0.58 -1.34 1.43 0.24 -0.52 118.68 123.31 1nwt s LEU 137 Ca 0.05 0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1nwt s LEU 137 Cb -0.13 -2.87 0.29 0.00 0.03 0.00 0.00 46.19 43.51 1nwt s LEU 137 CO -0.12 -0.47 0.81 0.00 0.23 0.00 0.00 176.35 176.80 1nwt n ALA 138 N 5.88 4.08 -2.78 4.21 0.00 -0.14 -1.25 120.51 130.51 1nwt n ALA 138 Ca -0.00 -4.57 -0.43 0.00 0.00 0.00 0.00 53.44 48.43 1nwt n ALA 138 Cb 0.49 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.78 2.86 -0.49 0.00 -0.11 -1.26 -0.19 118.94 116.96 1nwt s TRP 139 Ca 0.43 -0.39 -0.05 0.00 1.22 0.00 0.00 56.10 57.31 1nwt s TRP 139 Cb 0.21 -3.97 0.13 0.00 -1.50 0.00 0.00 33.47 28.35 1nwt s TRP 139 CO -0.07 -1.33 0.32 -0.51 -4.62 0.00 0.00 176.95 170.74 1nwt s LEU 140 N 3.48 5.42 0.06 5.86 1.43 -1.26 -3.97 118.68 129.70 1nwt s LEU 140 Ca 0.22 -2.24 -0.10 0.00 -1.03 0.00 0.00 54.13 50.98 1nwt s LEU 140 Cb -0.17 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1nwt s LEU 140 CO 0.14 -0.54 0.23 -0.31 0.23 0.00 0.00 176.35 176.09 1nwt s TYR 141 N 0.85 0.04 0.29 0.29 2.02 -1.26 -3.87 117.35 115.72 1nwt s TYR 141 Ca 0.10 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 1nwt s TYR 141 Cb -0.23 0.00 -0.11 0.00 -0.40 0.00 0.00 41.96 41.23 1nwt s TYR 141 CO -0.03 -0.51 1.50 -2.14 -1.57 0.00 0.00 175.55 172.80 1nwt s PRO 142 N -3.14 4.19 0.52 -1.71 0.02 -1.25 -4.84 135.00 128.79 1nwt s PRO 142 Ca -0.01 2.45 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 1nwt s PRO 142 Cb 0.01 -3.05 0.12 0.00 0.02 0.00 0.00 34.50 31.61 1nwt s PRO 142 CO -0.07 -0.50 0.59 0.41 -0.33 0.00 0.00 177.00 177.10 1nwt n GLY 143 N 1.82 -1.82 0.27 0.52 0.00 -1.26 -4.13 105.19 100.59 1nwt n GLY 143 Ca 0.06 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.92 -1.48 114.38 115.67 1nwt h ARG 144 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1nwt h ARG 144 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 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 -3.28 0.19 0.00 0.04 0.00 -1.26 -3.59 116.66 108.76 1nwt n ARG 145 Ca -0.01 0.01 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 1.14 -0.27 2.89 8.00 -0.59 -4.81 116.55 121.51 1nwt n ASP 146 Ca 0.10 -1.35 0.09 0.00 0.71 0.00 0.00 54.79 54.34 1nwt n ASP 146 Cb 0.29 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 0.02 -1.24 3.64 -1.53 0.76 116.57 118.45 1nwt h LYS 147 Ca 0.00 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1nwt h LYS 147 Cb 0.32 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1nwt h LYS 147 CO 0.00 0.16 -1.07 1.96 -2.27 0.00 0.00 179.45 178.22 1nwt h GLN 148 N 0.24 0.67 -0.70 1.90 7.50 -1.86 -3.08 115.11 119.78 1nwt h GLN 148 Ca 0.48 -0.75 0.02 0.00 0.50 0.00 0.00 58.65 58.90 1nwt h GLN 148 Cb 0.88 0.22 -0.04 0.00 0.05 0.00 0.00 27.48 28.59 1nwt h GLN 148 CO -0.58 1.32 0.47 0.45 -1.50 0.00 0.00 178.83 178.98 1nwt h HIS 149 N 0.36 0.86 -0.66 2.96 3.86 -1.58 -0.39 115.15 120.57 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 1.73 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.88 1nwt h HIS 149 CO 0.10 0.52 0.20 0.35 0.86 0.00 0.00 177.93 179.96 1nwt h PHE 150 N 0.91 1.04 -0.19 2.45 3.57 -0.91 0.18 116.94 123.99 1nwt h PHE 150 Ca 0.27 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1nwt h PHE 150 Cb -0.04 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1nwt h PHE 150 CO -0.00 0.84 0.00 1.15 -2.23 0.00 0.00 178.31 178.07 1nwt h THR 151 N 0.98 1.25 -0.39 4.41 2.02 -1.11 -2.29 112.91 117.78 1nwt h THR 151 Ca 0.21 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1nwt h THR 151 Cb 0.29 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1nwt h THR 151 CO -0.01 0.26 0.25 0.74 0.37 0.00 0.00 175.52 177.14 1nwt h THR 152 N 0.09 1.09 -0.06 3.16 2.02 -0.83 0.19 112.91 118.58 1nwt h THR 152 Ca 0.05 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.09 1nwt h THR 152 Cb 0.38 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1nwt h THR 152 CO 0.01 0.09 -0.20 0.25 0.37 0.00 0.00 175.52 176.04 1nwt h LEU 153 N 0.52 -0.61 -0.63 2.58 5.85 -0.90 0.46 115.31 122.58 1nwt h LEU 153 Ca 0.15 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1nwt h LEU 153 Cb -0.05 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1nwt h LEU 153 CO -0.04 -0.26 0.31 0.40 -0.34 0.00 0.00 178.44 178.51 1nwt h ILE 154 N -0.29 1.22 -0.17 4.05 2.04 -1.22 -0.15 117.51 122.98 1nwt h ILE 154 Ca 0.08 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1nwt h ILE 154 Cb 0.40 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1nwt h ILE 154 CO -0.23 0.25 0.11 0.50 0.00 0.00 0.00 178.15 178.79 1nwt h LYS 155 N 0.87 0.22 -0.11 2.37 3.64 -0.52 -2.35 116.57 120.70 1nwt h LYS 155 Ca 0.22 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 1nwt h LYS 155 Cb 0.12 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1nwt h LYS 155 CO -0.03 0.15 -0.68 0.93 -2.27 0.00 0.00 179.45 177.55 1nwt h GLU 156 N 0.23 0.47 -0.84 1.90 5.08 -0.80 -2.50 114.58 118.11 1nwt h GLU 156 Ca 0.07 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1nwt h GLU 156 Cb -0.02 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1nwt h GLU 156 CO -0.02 0.98 0.46 1.98 -1.00 0.00 0.00 179.01 181.41 1nwt h MET 157 N 0.33 1.17 -0.15 2.33 4.05 -0.92 0.12 114.93 121.86 1nwt h MET 157 Ca -0.02 -0.13 -0.15 0.00 -0.28 0.00 0.00 59.70 59.12 1nwt h MET 157 Cb 1.25 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1nwt h MET 157 CO 0.12 0.85 -0.54 -0.22 0.23 0.00 0.00 176.91 177.35 1nwt h LYS 158 N 1.17 0.43 -0.15 0.39 1.63 -1.40 -1.88 116.57 116.77 1nwt h LYS 158 Ca 0.30 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1nwt h LYS 158 Cb 0.02 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1nwt h LYS 158 CO -0.05 0.86 0.09 0.00 -3.45 0.00 0.00 179.45 176.90 1nwt h ALA 159 N 1.09 0.19 -0.28 5.00 0.00 -0.81 -0.91 119.26 123.55 1nwt h ALA 159 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nwt h ALA 159 Cb 1.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 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 0.17 0.37 -0.84 0.00 4.57 -0.90 -0.98 114.58 116.97 1nwt h GLU 160 Ca 0.05 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1nwt h GLU 160 Cb 0.02 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.47 1nwt h GLU 160 CO -0.01 0.28 0.52 0.74 -1.18 0.00 0.00 179.01 179.36 1nwt h PHE 161 N 0.36 0.97 -0.31 0.92 -1.00 -1.13 0.16 116.94 116.91 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 -0.00 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.23 1nwt h PHE 161 CO -0.05 0.49 0.11 0.82 -1.61 0.00 0.00 178.31 178.08 1nwt h ILE 162 N 0.96 1.19 -0.12 -0.55 2.04 -0.77 -2.73 117.51 117.52 1nwt h ILE 162 Ca 0.37 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1nwt h ILE 162 Cb 0.16 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1nwt h ILE 162 CO -0.17 0.20 0.07 0.50 0.00 0.00 0.00 178.15 178.75 1nwt h LYS 163 N 0.34 0.14 -0.08 2.37 3.64 -0.44 -0.32 116.57 122.23 1nwt h LYS 163 Ca 0.10 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1nwt h LYS 163 Cb 0.21 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nwt h LYS 163 CO -0.01 0.09 0.13 1.49 -2.27 0.00 0.00 179.45 178.89 1nwt h GLU 164 N 0.14 0.00 -0.01 1.90 4.22 -0.59 -1.65 114.58 118.59 1nwt h GLU 164 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1nwt h GLU 164 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nwt h GLU 164 CO -0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 179.01 176.77 1nwt n ALA 165 N -2.21 2.55 -0.31 2.92 0.00 -0.93 -4.70 120.51 117.83 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 0.23 -0.40 0.32 0.00 0.00 0.00 0.00 19.45 19.59 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 0.16 0.00 0.00 -0.00 -0.06 0.12 115.11 117.52 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 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1nwt h GLN 166 CO 0.00 0.11 0.00 -1.00 -0.00 0.00 0.00 178.83 177.94 1nwt h PRO 167 N 0.16 0.00 0.00 0.06 0.13 -1.84 -3.44 132.00 127.07 1nwt h PRO 167 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.72 1nwt h PRO 167 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nwt h PRO 167 CO -0.70 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.48 1nwt n GLY 168 N -0.82 0.13 3.86 1.56 0.00 0.38 -5.15 105.19 105.15 1nwt n GLY 168 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1nwt n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nwt s LYS 169 N 0.00 2.11 -0.62 1.61 1.02 -0.95 -4.96 119.74 117.94 1nwt s LYS 169 Ca 0.00 0.34 -0.28 0.00 0.02 0.00 0.00 55.97 56.05 1nwt s LYS 169 Cb 0.00 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1nwt s LYS 169 CO 0.00 -1.54 1.22 0.21 -0.92 0.00 0.00 175.35 174.32 1nwt s LYS 170 N -5.39 3.43 0.15 1.68 2.20 -1.26 -4.88 119.74 115.67 1nwt s LYS 170 Ca 0.61 0.12 -0.33 0.00 -0.36 0.00 0.00 55.97 56.00 1nwt s LYS 170 Cb -0.12 -4.06 -0.16 0.00 -1.51 0.00 0.00 37.83 31.98 1nwt s LYS 170 CO 0.51 -1.81 1.13 0.94 -0.36 0.00 0.00 175.35 175.77 1nwt n GLN 171 N 8.70 0.99 -2.12 4.03 7.27 -1.26 -4.92 117.38 130.07 1nwt n GLN 171 Ca 0.07 0.35 -0.41 0.00 0.07 0.00 0.00 57.00 57.09 1nwt n GLN 171 Cb 0.49 -1.83 -0.02 0.00 2.41 0.00 0.00 30.24 31.29 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 0.72 4.41 0.34 1.69 1.43 -1.26 -4.99 118.68 121.02 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 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 1nwt s LEU 172 CO 0.52 -0.55 0.79 -0.76 0.23 0.00 0.00 176.35 176.59 1nwt s LEU 173 N -1.84 4.07 -0.13 1.79 1.43 0.13 -4.91 118.68 119.23 1nwt s LEU 173 Ca 0.49 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1nwt s LEU 173 Cb -0.39 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 41.73 1nwt s LEU 173 CO 0.52 -0.21 -0.05 -0.22 0.23 0.00 0.00 176.35 176.62 1nwt s LEU 174 N -2.89 1.21 0.31 1.79 2.96 -1.26 -0.53 118.68 120.28 1nwt s LEU 174 Ca 0.55 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1nwt s LEU 174 Cb -0.11 -0.79 -0.06 0.00 0.50 0.00 0.00 46.19 45.73 1nwt s LEU 174 CO 0.17 -0.16 0.06 -0.94 -1.32 0.00 0.00 176.35 174.16 1nwt s SER 175 N 1.73 2.23 -0.08 3.68 1.04 -0.53 -0.34 113.70 121.43 1nwt s SER 175 Ca 0.03 -1.37 -0.06 0.00 0.48 0.00 0.00 55.95 55.04 1nwt s SER 175 Cb -0.13 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 65.96 1nwt s SER 175 CO -0.08 -0.61 0.21 0.00 0.98 0.00 0.00 173.24 173.74 1nwt s ALA 176 N -3.35 -0.48 -0.35 5.32 0.00 -1.17 -0.60 121.76 121.13 1nwt s ALA 176 Ca 0.36 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1nwt s ALA 176 Cb 0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1nwt s ALA 176 CO 0.15 -0.14 0.47 0.00 0.00 0.00 0.00 175.76 176.23 1nwt s ALA 177 N 0.71 3.48 0.16 0.00 0.00 -0.38 -1.23 121.76 124.50 1nwt s ALA 177 Ca -0.05 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1nwt s ALA 177 Cb -0.06 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1nwt s ALA 177 CO -0.04 -1.21 0.06 -0.51 0.00 0.00 0.00 175.76 174.06 1nwt s LEU 178 N 2.27 3.56 0.59 0.00 1.43 0.33 -4.56 118.68 122.30 1nwt s LEU 178 Ca 0.16 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 1nwt s LEU 178 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1nwt s LEU 178 CO 0.13 0.09 1.16 -0.55 0.23 0.00 0.00 176.35 177.42 1nwt s SER 179 N -2.92 5.32 0.00 2.29 0.15 -1.26 -0.81 113.70 116.48 1nwt s SER 179 Ca 0.29 2.25 0.19 0.00 0.70 0.00 0.00 55.95 59.38 1nwt s SER 179 Cb -0.10 -2.59 0.21 0.00 -1.71 0.00 0.00 66.02 61.84 1nwt s SER 179 CO 0.21 -1.49 1.16 0.00 1.20 0.00 0.00 173.24 174.31 1nwt n ALA 180 N -1.65 2.44 -2.70 5.45 0.00 -1.25 -4.63 120.51 118.17 1nwt n ALA 180 Ca 0.12 -0.75 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 1nwt n ALA 180 Cb 0.50 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1nwt n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nwt s GLY 181 N -1.48 2.38 0.17 0.00 0.00 -1.26 -4.67 107.32 102.46 1nwt s GLY 181 Ca 0.25 -0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.78 1nwt s GLY 181 CO 0.24 1.26 1.64 1.70 0.00 0.00 0.00 173.10 177.95 1nwt h LYS 182 N 7.02 -0.11 -0.29 2.90 3.64 -1.92 0.11 116.57 127.92 1nwt h LYS 182 Ca -0.37 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1nwt h LYS 182 Cb 1.17 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1nwt h LYS 182 CO 0.77 -0.07 -0.04 0.28 -2.27 0.00 0.00 179.45 178.12 1nwt h VAL 183 N -0.11 0.74 -0.74 2.00 2.07 -1.99 0.11 116.25 118.34 1nwt h VAL 183 Ca 0.20 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1nwt h VAL 183 Cb 0.41 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1nwt h VAL 183 CO -0.47 0.01 0.21 0.74 0.02 0.00 0.00 177.57 178.08 1nwt h THR 184 N 0.03 1.26 -0.54 2.57 2.02 -1.84 -2.41 112.91 114.00 1nwt h THR 184 Ca 0.14 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1nwt h THR 184 Cb 0.20 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1nwt h THR 184 CO -0.27 0.37 0.25 0.40 0.37 0.00 0.00 175.52 176.64 1nwt h ILE 185 N 1.11 1.20 -0.29 3.11 2.04 -0.12 -0.12 117.51 124.44 1nwt h ILE 185 Ca 0.24 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1nwt h ILE 185 Cb 0.34 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1nwt h ILE 185 CO -0.00 0.23 -0.07 0.44 0.00 0.00 0.00 178.15 178.74 1nwt h ASP 186 N 0.73 0.45 0.40 1.72 3.32 -0.57 -2.33 116.42 120.14 1nwt h ASP 186 Ca 0.19 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nwt h ASP 186 Cb 0.13 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1nwt h ASP 186 CO -0.02 0.57 -1.51 -1.54 -1.72 0.00 0.00 179.24 175.03 1nwt n SER 187 N -4.24 0.40 -0.12 6.45 3.41 -0.93 -4.65 113.62 113.95 1nwt n SER 187 Ca 0.01 0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.50 1nwt n SER 187 Cb 0.28 1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.35 2.14 -4.70 4.04 7.64 -0.07 -3.19 113.62 117.13 1nwt n SER 188 Ca -0.02 -0.06 -0.31 0.00 1.01 0.00 0.00 58.87 59.50 1nwt n SER 188 Cb 0.54 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 1nwt n SER 188 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nwt s TYR 189 N -2.46 3.04 -0.76 1.43 2.02 -0.88 -4.23 117.35 115.52 1nwt s TYR 189 Ca -0.31 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1nwt s TYR 189 Cb 0.09 -1.58 0.26 0.00 -0.40 0.00 0.00 41.96 40.32 1nwt s TYR 189 CO 0.51 0.48 0.91 -3.47 -1.57 0.00 0.00 175.55 172.41 1nwt n ASP 190 N 0.77 4.37 -0.36 2.29 -0.08 -1.26 -4.77 116.55 117.50 1nwt n ASP 190 Ca -0.11 -3.41 0.04 0.00 -1.51 0.00 0.00 54.79 49.79 1nwt n ASP 190 Cb 0.52 -0.83 0.11 0.00 2.34 0.00 0.00 41.12 43.25 1nwt n ASP 190 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nwt h ILE 191 N 3.34 0.01 -0.50 5.18 1.08 -1.92 -1.29 117.51 123.41 1nwt h ILE 191 Ca 0.20 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.70 1nwt h ILE 191 Cb 0.66 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 1nwt h ILE 191 CO 0.95 0.00 0.27 0.00 -0.69 0.00 0.00 178.15 178.68 1nwt h ALA 192 N 1.79 0.64 0.37 1.87 0.00 -1.74 -2.06 119.26 120.12 1nwt h ALA 192 Ca 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1nwt h ALA 192 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nwt h ALA 192 CO -1.01 -0.06 -0.18 -0.22 0.00 0.00 0.00 179.25 177.79 1nwt h LYS 193 N 0.53 -0.47 0.00 0.00 1.63 -1.60 -3.27 116.57 113.40 1nwt h LYS 193 Ca 0.21 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1nwt h LYS 193 Cb 0.09 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1nwt h LYS 193 CO -0.13 -0.17 -0.01 -0.84 -3.45 0.00 0.00 179.45 174.85 1nwt h ILE 194 N -0.78 0.03 0.00 2.00 3.07 -1.45 -3.07 117.51 117.32 1nwt h ILE 194 Ca -0.05 -0.48 -0.04 0.00 1.55 0.00 0.00 64.86 65.85 1nwt h ILE 194 Cb 0.52 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 1nwt h ILE 194 CO 0.08 0.01 -0.17 0.28 -1.05 0.00 0.00 178.15 177.30 1nwt h SER 195 N 0.00 0.00 -0.38 2.16 0.02 -1.41 -1.96 113.55 111.98 1nwt h SER 195 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1nwt h SER 195 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1nwt h SER 195 CO 0.00 0.17 -0.29 1.56 -1.14 0.00 0.00 176.83 177.14 1nwt h GLN 196 N 0.00 0.86 0.00 3.45 4.20 -1.67 -3.29 115.11 118.66 1nwt h GLN 196 Ca -0.00 -0.42 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 1nwt h GLN 196 Cb 0.39 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1nwt h GLN 196 CO 0.02 1.07 -0.89 0.45 -0.67 0.00 0.00 178.83 178.81 1nwt h HIS 197 N 0.67 0.00 -3.66 2.96 3.86 -1.65 -3.46 115.15 113.86 1nwt h HIS 197 Ca 0.07 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.78 1nwt h HIS 197 Cb 0.87 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 1nwt h HIS 197 CO 0.06 0.65 0.22 -0.51 0.86 0.00 0.00 177.93 179.21 1nwt s LEU 198 N -6.33 4.43 0.26 2.43 1.43 -0.77 -4.86 118.68 115.27 1nwt s LEU 198 Ca 0.01 1.64 0.14 0.00 -1.03 0.00 0.00 54.13 54.89 1nwt s LEU 198 Cb 0.08 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.77 1nwt s LEU 198 CO 0.78 0.06 1.45 0.44 0.23 0.00 0.00 176.35 179.32 1nwt h ASP 199 N 3.65 0.00 -3.67 2.29 3.32 -1.00 -3.47 116.42 117.54 1nwt h ASP 199 Ca -0.47 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.70 1nwt h ASP 199 Cb 1.20 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.50 1nwt h ASP 199 CO 0.66 0.60 0.64 0.72 -1.72 0.00 0.00 179.24 180.14 1nwt s PHE 200 N -3.01 -0.29 -0.13 4.55 -0.12 -1.25 -4.83 117.98 112.89 1nwt s PHE 200 Ca 0.03 0.55 0.01 0.00 -0.05 0.00 0.00 56.93 57.46 1nwt s PHE 200 Cb 0.09 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1nwt s PHE 200 CO 0.75 -0.24 -0.16 0.42 -0.05 0.00 0.00 175.22 175.94 1nwt s ILE 201 N -0.85 2.80 -0.36 -4.49 1.01 0.18 -3.04 121.20 116.45 1nwt s ILE 201 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 1nwt s ILE 201 Cb -0.01 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1nwt s ILE 201 CO -0.02 0.53 0.21 -0.44 0.00 0.00 0.00 174.94 175.22 1nwt s SER 202 N 0.39 5.77 -0.25 3.58 0.01 -0.36 0.46 113.70 123.29 1nwt s SER 202 Ca -0.12 -0.79 -0.19 0.00 1.31 0.00 0.00 55.95 56.15 1nwt s SER 202 Cb -0.16 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1nwt s SER 202 CO 0.06 -0.33 0.58 -0.51 0.41 0.00 0.00 173.24 173.45 1nwt s ILE 203 N 1.61 5.03 -1.04 1.44 2.07 -0.41 -0.52 121.20 129.38 1nwt s ILE 203 Ca 0.04 1.02 -0.18 0.00 -1.41 0.00 0.00 60.65 60.12 1nwt s ILE 203 Cb -0.18 -3.89 -0.08 0.00 0.13 0.00 0.00 42.46 38.44 1nwt s ILE 203 CO 0.07 0.06 2.06 0.23 -1.91 0.00 0.00 174.94 175.46 1nwt n MET 204 N 5.55 2.05 -1.22 3.50 2.81 0.01 -1.28 117.12 128.54 1nwt n MET 204 Ca -0.02 -2.10 -0.36 0.00 -1.81 0.00 0.00 57.70 53.40 1nwt n MET 204 Cb 0.49 -3.03 -0.03 0.00 -0.71 0.00 0.00 33.22 29.95 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 5.55 3.01 -3.56 2.03 -2.24 -1.26 -3.85 114.28 113.97 1nwt n THR 205 Ca 0.51 -2.15 -0.05 0.00 -2.27 0.00 0.00 64.05 60.09 1nwt n THR 205 Cb 0.38 -2.42 0.02 0.00 -2.10 0.00 0.00 70.33 66.22 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 5.28 -1.76 -3.11 4.78 0.18 -1.26 -4.77 117.16 116.50 1nwt n TYR 206 Ca 0.56 -1.15 -0.23 0.00 1.88 0.00 0.00 57.90 58.96 1nwt n TYR 206 Cb 0.28 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 -1.30 -6.16 0.18 9.48 8.00 -0.67 -4.88 116.55 121.19 1nwt n ASP 207 Ca -0.05 -0.33 0.10 0.00 0.71 0.00 0.00 54.79 55.23 1nwt n ASP 207 Cb 0.39 -4.96 0.11 0.00 -0.02 0.00 0.00 41.12 36.63 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 -1.58 0.00 -3.86 1.24 0.04 -1.37 -3.45 116.94 107.96 1nwt h PHE 208 Ca -0.54 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.85 1nwt h PHE 208 Cb 1.37 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 39.22 1nwt h PHE 208 CO 0.53 0.07 -0.77 -1.58 -0.60 0.00 0.00 178.31 175.96 1nwt s HIS 209 N -3.21 0.72 0.06 -0.55 2.46 -1.26 -4.95 115.29 108.55 1nwt s HIS 209 Ca 0.05 -0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.44 1nwt s HIS 209 Cb 0.06 -0.51 -0.03 0.00 -0.13 0.00 0.00 32.58 31.98 1nwt s HIS 209 CO 0.71 -0.06 -0.08 0.20 -2.47 0.00 0.00 174.74 173.05 1nwt s GLY 210 N 0.09 0.59 0.49 1.59 0.00 -1.26 -4.63 107.32 104.18 1nwt s GLY 210 Ca -0.01 -0.93 0.34 0.00 0.00 0.00 0.00 44.72 44.12 1nwt s GLY 210 CO -0.00 -1.00 1.69 0.00 0.00 0.00 0.00 173.10 173.79 1nwt h ALA 211 N 4.07 3.01 -1.08 3.20 0.00 -1.88 0.29 119.26 126.86 1nwt h ALA 211 Ca -0.36 0.02 0.31 0.00 0.00 0.00 0.00 54.91 54.88 1nwt h ALA 211 Cb 1.19 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1nwt h ALA 211 CO 0.47 -1.50 0.77 0.11 0.00 0.00 0.00 179.25 179.10 1nwt h TRP 212 N 0.10 0.12 0.00 0.00 5.08 -1.95 0.67 115.95 119.97 1nwt h TRP 212 Ca 0.73 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.71 1nwt h TRP 212 Cb 2.56 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 28.68 1nwt h TRP 212 CO -0.00 0.01 0.00 0.00 -1.28 0.00 0.00 178.44 177.17 1nwt h ARG 213 N 0.07 0.00 0.00 0.12 3.08 -0.84 -3.46 114.38 113.35 1nwt h ARG 213 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1nwt h ARG 213 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1nwt h ARG 213 CO -0.06 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.25 1nwt n GLY 214 N -0.17 0.60 3.09 0.04 0.00 0.23 -5.01 105.19 103.97 1nwt n GLY 214 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1nwt n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwt s THR 215 N -2.54 0.21 0.39 2.61 -4.23 -1.26 -2.92 115.64 107.90 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 -1.46 -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 0.00 174.62 174.67 1nwt s THR 216 N -3.81 3.35 -0.28 3.99 -4.23 -0.20 -4.84 115.64 109.61 1nwt s THR 216 Ca 0.06 1.12 -0.24 0.00 -1.18 0.00 0.00 61.69 61.45 1nwt s THR 216 Cb 0.07 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.41 1nwt s THR 216 CO -0.10 0.09 1.05 -0.83 -0.54 0.00 0.00 174.62 174.30 1nwt s GLY 217 N -1.23 -0.11 0.06 3.99 0.00 -1.26 -1.23 107.32 107.53 1nwt s GLY 217 Ca 0.56 2.76 -0.31 0.00 0.00 0.00 0.00 44.72 47.73 1nwt s GLY 217 CO 0.36 1.89 1.25 -1.58 0.00 0.00 0.00 173.10 175.01 1nwt s HIS 218 N 0.28 3.33 -1.46 1.90 5.65 -1.26 -4.78 115.29 118.95 1nwt s HIS 218 Ca 0.03 1.18 0.29 0.00 0.25 0.00 0.00 55.06 56.81 1nwt s HIS 218 Cb -0.05 -3.49 1.46 0.00 -1.18 0.00 0.00 32.58 29.31 1nwt s HIS 218 CO -0.07 -1.60 1.99 -2.39 -0.65 0.00 0.00 174.74 172.02 1nwt n HIS 219 N 4.16 0.00 -2.99 3.88 -0.00 -1.26 -4.19 115.22 114.82 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 -0.27 0.02 0.00 -0.00 0.00 0.00 29.99 30.19 1nwt n HIS 219 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nwt n SER 220 N -1.27 -0.34 -4.80 4.39 2.88 -1.26 -0.99 113.62 112.23 1nwt n SER 220 Ca 0.14 -3.22 -0.34 0.00 -1.33 0.00 0.00 58.87 54.12 1nwt n SER 220 Cb 0.22 0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.44 3.77 -0.04 -1.46 0.04 -1.26 -4.91 135.00 129.70 1nwt s PRO 221 Ca 0.32 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 1nwt s PRO 221 Cb 0.34 -2.09 -0.25 0.00 0.04 0.00 0.00 34.50 32.53 1nwt s PRO 221 CO -0.06 -0.46 1.00 1.25 0.04 0.00 0.00 177.00 178.77 1nwt h LEU 222 N 1.49 0.33 -9.62 -3.56 5.85 -1.41 -1.39 115.31 106.99 1nwt h LEU 222 Ca -0.49 -0.83 -0.60 0.00 0.84 0.00 0.00 57.88 56.80 1nwt h LEU 222 Cb 1.22 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 1nwt h LEU 222 CO 0.59 1.12 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.87 1nwt s PHE 223 N -2.93 2.19 0.15 1.25 0.08 -1.24 -0.47 117.98 117.01 1nwt s PHE 223 Ca -0.15 -0.85 -0.14 0.00 0.12 0.00 0.00 56.93 55.91 1nwt s PHE 223 Cb 0.01 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1nwt s PHE 223 CO 0.78 0.24 1.68 -0.09 -0.10 0.00 0.00 175.22 177.72 1nwt h ARG 224 N 1.76 0.77 0.00 0.44 2.43 -1.91 -3.39 114.38 114.47 1nwt h ARG 224 Ca -0.43 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1nwt h ARG 224 Cb 1.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1nwt h ARG 224 CO 0.75 0.71 0.00 0.41 -1.51 0.00 0.00 179.97 180.33 1nwt n GLY 225 N -0.70 -1.30 3.34 2.80 0.00 -1.25 -4.74 105.19 103.34 1nwt n GLY 225 Ca 0.01 -1.33 -0.57 0.00 0.00 0.00 0.00 46.02 44.14 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 0.37 -0.26 1.61 7.27 -1.26 -4.78 117.38 120.33 1nwt n GLN 226 Ca 0.00 0.10 0.11 0.00 0.07 0.00 0.00 57.00 57.29 1nwt n GLN 226 Cb 0.00 -1.82 0.38 0.00 2.41 0.00 0.00 30.24 31.21 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 9.86 0.68 -0.83 3.69 4.22 -1.97 -2.28 114.58 127.95 1nwt h GLU 227 Ca -0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.20 1nwt h GLU 227 Cb 1.38 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1nwt h GLU 227 CO 1.06 0.45 0.44 -0.44 -2.18 0.00 0.00 179.01 178.34 1nwt h ASP 228 N 0.70 1.04 -0.92 1.04 3.32 -1.99 -3.29 116.42 116.32 1nwt h ASP 228 Ca 0.43 -0.11 -0.45 0.00 0.02 0.00 0.00 57.03 56.93 1nwt h ASP 228 Cb 0.68 -0.27 -0.27 0.00 0.22 0.00 0.00 39.33 39.70 1nwt h ASP 228 CO -0.19 0.85 0.55 0.00 -1.72 0.00 0.00 179.24 178.73 1nwt n ALA 229 N -2.39 5.36 -4.04 3.45 0.00 -0.86 -4.90 120.51 117.13 1nwt n ALA 229 Ca 0.08 -2.82 -0.32 0.00 0.00 0.00 0.00 53.44 50.38 1nwt n ALA 229 Cb 0.10 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.32 3.02 0.61 0.00 1.04 -1.23 -4.88 113.70 110.93 1nwt s SER 230 Ca 0.56 -0.60 0.39 0.00 0.48 0.00 0.00 55.95 56.77 1nwt s SER 230 Cb 0.47 -1.40 1.87 0.00 0.10 0.00 0.00 66.02 67.06 1nwt s SER 230 CO 0.11 -0.00 2.17 -0.65 0.98 0.00 0.00 173.24 175.84 1nwt h PRO 231 N 7.89 0.00 -4.10 4.02 0.11 -1.92 -3.43 132.00 134.57 1nwt h PRO 231 Ca -0.43 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.42 1nwt h PRO 231 Cb 1.14 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.99 1nwt h PRO 231 CO 0.60 0.00 -0.73 0.34 -0.21 0.00 0.00 178.00 178.00 1nwt s ASP 232 N -5.45 0.39 0.27 -2.05 -1.08 -1.26 -5.03 116.67 102.45 1nwt s ASP 232 Ca -0.02 -0.18 0.14 0.00 -0.52 0.00 0.00 52.55 51.97 1nwt s ASP 232 Cb 0.11 -0.01 0.12 0.00 -1.46 0.00 0.00 42.92 41.68 1nwt s ASP 232 CO 0.48 -0.05 1.46 0.08 0.52 0.00 0.00 175.17 177.67 1nwt h ARG 233 N 5.66 0.00 -0.06 4.34 0.11 -2.00 -3.35 114.38 119.09 1nwt h ARG 233 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1nwt h ARG 233 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1nwt h ARG 233 CO 0.48 0.57 0.00 1.19 0.10 0.00 0.00 179.97 182.31 1nwt n PHE 234 N -3.30 0.05 -1.91 4.08 3.72 -1.26 -4.77 117.46 114.07 1nwt n PHE 234 Ca 0.01 -0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1nwt n PHE 234 Cb 0.73 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.27 1nwt n PHE 234 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nwt n SER 235 N 1.04 6.79 -3.47 4.37 7.64 -1.26 -4.51 113.62 124.23 1nwt n SER 235 Ca 0.11 -2.97 -0.14 0.00 1.01 0.00 0.00 58.87 56.88 1nwt n SER 235 Cb 0.46 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.15 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 1.27 -0.58 0.12 6.43 2.20 -1.26 -4.81 114.94 118.31 1nwt s ASN 236 Ca 0.52 0.23 -0.25 0.00 -0.94 0.00 0.00 52.86 52.42 1nwt s ASN 236 Cb 0.15 0.57 -0.06 0.00 -2.00 0.00 0.00 41.25 39.91 1nwt s ASN 236 CO -0.06 -0.83 1.65 0.74 -2.94 0.00 0.00 177.10 175.66 1nwt h THR 237 N 2.39 0.48 -0.53 0.54 2.02 -1.30 -2.89 112.91 113.61 1nwt h THR 237 Ca -0.32 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.97 1nwt h THR 237 Cb 1.25 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 68.04 1nwt h THR 237 CO 0.39 0.00 -0.08 -0.78 0.37 0.00 0.00 175.52 175.42 1nwt h ASP 238 N -0.37 -0.39 0.22 4.18 3.58 -1.01 -1.21 116.42 121.41 1nwt h ASP 238 Ca 0.05 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1nwt h ASP 238 Cb 0.44 0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1nwt h ASP 238 CO -0.19 -0.14 -0.12 0.22 -2.88 0.00 0.00 179.24 176.13 1nwt h TYR 239 N 0.04 -0.30 -0.50 0.28 3.20 -1.81 -2.10 116.97 115.78 1nwt h TYR 239 Ca 0.26 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.21 1nwt h TYR 239 Cb 0.41 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 1nwt h TYR 239 CO -0.40 -0.19 0.13 0.00 -1.64 0.00 0.00 178.16 176.07 1nwt h ALA 240 N 0.47 0.59 0.54 1.82 0.00 -1.24 0.26 119.26 121.70 1nwt h ALA 240 Ca -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nwt h ALA 240 Cb 0.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nwt h ALA 240 CO 0.04 -0.27 -0.27 0.28 0.00 0.00 0.00 179.25 179.02 1nwt h VAL 241 N 0.28 0.44 -0.70 0.00 2.07 -1.14 -0.63 116.25 116.58 1nwt h VAL 241 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1nwt h VAL 241 Cb 0.31 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1nwt h VAL 241 CO -0.30 0.00 0.41 1.23 0.02 0.00 0.00 177.57 178.93 1nwt h GLY 242 N -0.75 1.02 0.96 2.17 0.00 -1.09 -0.15 103.07 105.24 1nwt h GLY 242 Ca -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1nwt h GLY 242 CO 0.11 0.20 0.08 -1.82 0.00 0.00 0.00 176.54 175.12 1nwt h TYR 243 N 0.77 0.15 -0.55 5.60 3.20 -0.32 0.14 116.97 125.95 1nwt h TYR 243 Ca 0.30 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 1nwt h TYR 243 Cb 0.14 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1nwt h TYR 243 CO -0.06 0.09 0.12 1.98 -1.64 0.00 0.00 178.16 178.65 1nwt h MET 244 N 0.17 0.86 -0.45 1.82 4.05 -0.73 0.95 114.93 121.60 1nwt h MET 244 Ca 0.06 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1nwt h MET 244 Cb -0.00 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 1nwt h MET 244 CO -0.03 0.79 0.26 -0.07 0.23 0.00 0.00 176.91 178.08 1nwt h LEU 245 N 0.83 0.56 -1.01 3.39 3.38 -0.44 -2.17 115.31 119.84 1nwt h LEU 245 Ca 0.18 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nwt h LEU 245 Cb 0.33 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1nwt h LEU 245 CO 0.00 0.48 0.67 0.03 0.09 0.00 0.00 178.44 179.71 1nwt h ARG 246 N 0.60 1.32 0.00 1.13 3.08 -0.04 -1.98 114.38 118.49 1nwt h ARG 246 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1nwt h ARG 246 Cb 0.04 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 29.79 1nwt h ARG 246 CO -0.03 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 181.03 1nwt n LEU 247 N -4.38 0.00 0.00 3.04 4.77 0.26 -4.84 117.00 115.85 1nwt n LEU 247 Ca 0.12 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1nwt n LEU 247 Cb 0.01 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1nwt n LEU 247 CO 0.37 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1nwt n GLY 248 N -0.10 1.81 3.48 -0.72 0.00 -0.75 -3.32 105.19 105.59 1nwt n GLY 248 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 3.45 0.12 4.61 0.00 -0.85 -4.33 121.76 122.76 1nwt s ALA 249 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 51.96 50.03 1nwt s ALA 249 Cb 0.00 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 19.98 1nwt s ALA 249 CO 0.00 -1.54 1.51 -2.30 0.00 0.00 0.00 175.76 173.43 1nwt n PRO 250 N 5.45 1.80 -0.07 0.00 -0.02 -1.26 -4.46 135.00 136.43 1nwt n PRO 250 Ca -0.09 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 1nwt n PRO 250 Cb 0.47 -2.38 0.55 0.00 -0.02 0.00 0.00 33.50 32.13 1nwt n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nwt h ALA 251 N 5.57 2.15 0.00 3.55 0.00 -1.93 0.20 119.26 128.80 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 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nwt h ALA 251 CO 0.85 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 1nwt n SER 252 N -4.45 0.37 -0.33 0.00 3.41 -1.26 -0.96 113.62 110.40 1nwt n SER 252 Ca 0.10 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.35 1nwt n SER 252 Cb 0.45 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.92 1.15 -3.69 4.33 5.02 0.68 -4.34 118.16 119.39 1nwt n LYS 253 Ca 0.02 -1.29 -0.37 0.00 -2.02 0.00 0.00 58.31 54.65 1nwt n LYS 253 Cb 0.18 -1.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 1nwt n LYS 253 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nwt s LEU 254 N -0.75 3.79 -0.18 -0.35 2.96 -0.97 0.50 118.68 123.69 1nwt s LEU 254 Ca 0.11 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1nwt s LEU 254 Cb 0.06 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1nwt s LEU 254 CO 0.09 -0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.40 1nwt s VAL 255 N 1.55 3.98 -0.23 1.68 1.01 0.17 -0.56 120.40 128.00 1nwt s VAL 255 Ca 0.06 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 1nwt s VAL 255 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1nwt s VAL 255 CO 0.07 0.45 0.58 -0.32 0.00 0.00 0.00 175.10 175.88 1nwt s MET 256 N 0.73 4.14 0.16 2.72 1.75 -0.22 -1.29 119.30 127.29 1nwt s MET 256 Ca -0.00 0.48 -0.30 0.00 -1.25 0.00 0.00 55.69 54.62 1nwt s MET 256 Cb -0.14 -3.62 -0.07 0.00 2.84 0.00 0.00 34.83 33.83 1nwt s MET 256 CO 0.02 -0.31 1.15 0.20 -0.65 0.00 0.00 175.02 175.43 1nwt s GLY 257 N 1.37 2.73 -0.09 2.11 0.00 -0.40 -0.51 107.32 112.53 1nwt s GLY 257 Ca 0.25 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.86 1nwt s GLY 257 CO 0.09 1.78 -0.14 -0.42 0.00 0.00 0.00 173.10 174.41 1nwt s ILE 258 N -0.00 1.35 0.17 0.90 1.01 0.18 -4.14 121.20 120.67 1nwt s ILE 258 Ca 0.52 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 1nwt s ILE 258 Cb -0.30 -1.23 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 1nwt s ILE 258 CO 0.35 0.41 0.69 -2.16 0.00 0.00 0.00 174.94 174.22 1nwt s PRO 259 N 0.80 4.30 -0.14 2.79 0.04 -1.26 -2.63 135.00 138.90 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 -3.07 0.56 0.00 0.04 0.00 0.00 34.50 31.87 1nwt s PRO 259 CO 0.02 0.51 1.47 0.25 0.04 0.00 0.00 177.00 179.28 1nwt n THR 260 N 1.20 2.03 -4.27 1.26 -2.24 -0.69 -4.53 114.28 107.04 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 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.31 1.34 0.31 4.78 -0.71 -1.26 -1.26 117.98 118.86 1nwt s PHE 261 Ca 0.42 -0.73 0.11 0.00 -1.04 0.00 0.00 56.93 55.68 1nwt s PHE 261 Cb 0.31 -0.67 -0.06 0.00 -1.21 0.00 0.00 43.02 41.39 1nwt s PHE 261 CO 0.14 0.12 -0.14 0.20 -1.34 0.00 0.00 175.22 174.20 1nwt s GLY 262 N -3.19 2.01 -0.20 1.99 0.00 0.28 -4.63 107.32 103.58 1nwt s GLY 262 Ca 0.18 -1.96 -0.06 0.00 0.00 0.00 0.00 44.72 42.88 1nwt s GLY 262 CO 0.02 -1.98 0.03 0.50 0.00 0.00 0.00 173.10 171.66 1nwt s ARG 263 N -3.57 3.73 0.27 2.90 1.81 -0.67 -2.40 118.95 121.03 1nwt s ARG 263 Ca 0.31 -0.46 0.08 0.00 -1.72 0.00 0.00 55.73 53.94 1nwt s ARG 263 Cb -0.02 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 31.30 1nwt s ARG 263 CO 0.16 0.07 0.13 -1.54 -0.68 0.00 0.00 175.30 173.44 1nwt s SER 264 N 0.87 5.09 0.05 0.23 1.04 -0.71 -1.57 113.70 118.70 1nwt s SER 264 Ca 0.02 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 1nwt s SER 264 Cb -0.14 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.83 1nwt s SER 264 CO 0.02 -0.07 0.04 -0.36 0.98 0.00 0.00 173.24 173.85 1nwt s PHE 265 N -2.24 0.35 -0.39 5.02 0.08 0.10 -1.69 117.98 119.22 1nwt s PHE 265 Ca 0.33 -0.79 -0.10 0.00 0.12 0.00 0.00 56.93 56.50 1nwt s PHE 265 Cb -0.07 -0.25 0.05 0.00 -0.57 0.00 0.00 43.02 42.18 1nwt s PHE 265 CO 0.23 -0.38 0.21 0.99 -0.10 0.00 0.00 175.22 176.17 1nwt s THR 266 N -3.31 4.39 0.78 0.64 2.01 0.07 -1.56 115.64 118.66 1nwt s THR 266 Ca 0.01 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 60.81 1nwt s THR 266 Cb 0.03 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 69.06 1nwt s THR 266 CO -0.08 -0.32 1.04 0.18 -0.69 0.00 0.00 174.62 174.76 1nwt n LEU 267 N 4.96 3.70 -0.04 4.42 4.77 0.92 -0.35 117.00 135.38 1nwt n LEU 267 Ca -0.11 0.60 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1nwt n LEU 267 Cb 0.45 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 1nwt n LEU 267 CO 0.37 -1.98 0.10 0.00 -1.33 0.00 0.00 177.39 174.55 1nwt n ALA 268 N -2.97 2.40 -3.00 -1.18 0.00 -0.48 -4.45 120.51 110.83 1nwt n ALA 268 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nwt n ALA 268 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.62 0.00 -0.21 0.00 3.41 -1.26 -5.01 113.62 109.92 1nwt n SER 269 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1nwt n SER 269 Cb 0.05 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.00 0.97 -4.71 4.04 3.41 -1.26 -4.87 113.62 111.19 1nwt n SER 270 Ca 0.00 -0.80 -0.42 0.00 -0.26 0.00 0.00 58.87 57.39 1nwt n SER 270 Cb 0.00 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.60 4.38 0.00 4.33 2.02 -1.26 -4.92 118.70 120.66 1nwt s GLU 271 Ca 0.21 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.08 1nwt s GLU 271 Cb 0.19 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1nwt s GLU 271 CO 0.56 -0.34 0.70 0.25 0.02 0.00 0.00 175.26 176.45 1nwt n THR 272 N 4.02 0.49 -2.00 3.63 -2.24 -1.26 -4.73 114.28 112.19 1nwt n THR 272 Ca 0.10 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 1nwt n THR 272 Cb 0.45 0.84 0.11 0.00 -2.10 0.00 0.00 70.33 69.64 1nwt n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nwt n GLY 273 N -0.24 -0.49 3.70 3.38 0.00 -1.26 -4.94 105.19 105.34 1nwt n GLY 273 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1nwt n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwt s VAL 274 N -2.56 3.18 0.00 1.61 1.01 -1.26 -2.36 120.40 120.01 1nwt s VAL 274 Ca 0.49 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1nwt s VAL 274 Cb -0.02 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1nwt s VAL 274 CO 0.33 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1nwt n GLY 275 N 3.72 0.58 3.72 4.51 0.00 -0.36 -4.97 105.19 112.39 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 -2.32 2.04 0.34 4.61 0.00 -0.99 -4.47 121.76 120.96 1nwt s ALA 276 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 1nwt s ALA 276 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1nwt s ALA 276 CO 0.00 -1.99 1.23 -2.14 0.00 0.00 0.00 175.76 172.86 1nwt s PRO 277 N -4.07 4.34 0.17 0.00 0.02 -1.26 -1.04 135.00 133.17 1nwt s PRO 277 Ca 0.72 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.84 1nwt s PRO 277 Cb -0.27 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1nwt s PRO 277 CO 0.48 -0.13 -0.13 0.96 -0.33 0.00 0.00 177.00 177.85 1nwt s ILE 278 N -1.21 1.46 -1.57 2.83 -4.36 -1.15 -1.39 121.20 115.83 1nwt s ILE 278 Ca 0.50 -2.11 0.16 0.00 -0.26 0.00 0.00 60.65 58.94 1nwt s ILE 278 Cb -0.36 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.45 1nwt s ILE 278 CO 0.47 -0.65 0.88 -1.54 0.24 0.00 0.00 174.94 174.34 1nwt n SER 279 N -0.23 1.75 0.00 4.36 3.41 0.53 -4.75 113.62 118.70 1nwt n SER 279 Ca -0.10 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 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 1.09 -0.29 3.63 5.00 0.00 -1.25 -4.99 105.19 108.38 1nwt n GLY 280 Ca 0.07 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 0.45 0.88 1.61 0.04 -1.26 -0.75 135.00 133.97 1nwt s PRO 281 Ca 0.00 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1nwt s PRO 281 Cb 0.00 -1.70 0.12 0.00 0.04 0.00 0.00 34.50 32.96 1nwt s PRO 281 CO 0.00 -2.87 1.12 0.20 0.04 0.00 0.00 177.00 175.50 1nwt s GLY 282 N -2.87 1.59 0.30 0.56 0.00 -0.68 -3.44 107.32 102.78 1nwt s GLY 282 Ca 0.66 -0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.67 1nwt s GLY 282 CO 0.60 0.10 1.35 -0.42 0.00 0.00 0.00 173.10 174.73 1nwt s ILE 283 N -3.23 2.72 0.51 0.90 1.01 -1.26 -2.26 121.20 119.59 1nwt s ILE 283 Ca 0.63 0.68 -0.22 0.00 0.00 0.00 0.00 60.65 61.73 1nwt s ILE 283 Cb -0.15 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 1nwt s ILE 283 CO 0.54 0.14 1.23 -2.65 0.00 0.00 0.00 174.94 174.20 1nwt n PRO 284 N 1.37 1.57 -2.19 2.79 -0.02 -1.26 -4.64 135.00 132.62 1nwt n PRO 284 Ca 0.02 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1nwt n PRO 284 Cb 0.41 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.86 2.21 0.39 -1.23 0.00 -1.25 -4.85 107.32 101.73 1nwt s GLY 285 Ca 0.69 0.42 0.09 0.00 0.00 0.00 0.00 44.72 45.92 1nwt s GLY 285 CO 0.52 0.74 1.98 -0.09 0.00 0.00 0.00 173.10 176.25 1nwt h ARG 286 N 0.74 0.59 0.00 2.90 2.43 -1.95 -1.35 114.38 117.73 1nwt h ARG 286 Ca -0.47 -0.04 -0.38 0.00 -0.81 0.00 0.00 59.98 58.28 1nwt h ARG 286 Cb 1.22 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 1nwt h ARG 286 CO 0.58 0.39 -2.45 1.19 -1.51 0.00 0.00 179.97 178.17 1nwt n PHE 287 N -4.48 0.00 0.38 2.20 3.72 -1.26 -4.51 117.46 113.51 1nwt n PHE 287 Ca 0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.61 1nwt n PHE 287 Cb 0.26 -0.99 0.19 0.00 -0.94 0.00 0.00 39.48 37.99 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 -7.02 4.37 1.35 -1.93 -3.42 112.91 106.25 1nwt h THR 288 Ca -0.57 -0.74 -0.51 0.00 -0.55 0.00 0.00 66.41 64.04 1nwt h THR 288 Cb 1.96 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.86 1nwt h THR 288 CO -0.07 0.00 -0.84 0.29 -0.25 0.00 0.00 175.52 174.65 1nwt n LYS 289 N -2.55 -0.41 -3.43 4.72 5.02 -0.51 -4.89 118.16 116.12 1nwt n LYS 289 Ca 0.03 -0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1nwt n LYS 289 Cb 0.49 -1.98 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 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 -7.04 0.27 0.12 1.97 2.12 -1.26 -4.92 118.70 109.95 1nwt s GLU 290 Ca 0.37 0.25 -0.35 0.00 0.36 0.00 0.00 54.97 55.59 1nwt s GLU 290 Cb -0.20 -0.87 -0.16 0.00 0.26 0.00 0.00 34.13 33.16 1nwt s GLU 290 CO 0.81 -0.72 1.32 0.00 -0.54 0.00 0.00 175.26 176.13 1nwt n ALA 291 N 5.33 -0.70 -0.58 6.30 0.00 -1.26 -0.82 120.51 128.78 1nwt n ALA 291 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1nwt n ALA 291 Cb 0.49 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1nwt n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwt n GLY 292 N 2.46 0.88 3.14 0.00 0.00 -0.96 -4.80 105.19 105.92 1nwt n GLY 292 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1nwt n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nwt s THR 293 N -3.20 1.25 -0.11 2.61 2.01 -0.00 -1.74 115.64 116.45 1nwt s THR 293 Ca 0.00 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 1nwt s THR 293 Cb 0.00 -1.05 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1nwt s THR 293 CO 0.00 0.30 0.24 -0.76 -0.69 0.00 0.00 174.62 173.72 1nwt s LEU 294 N -0.50 0.11 0.70 4.42 1.43 -1.01 -3.84 118.68 119.99 1nwt s LEU 294 Ca 0.06 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 1nwt s LEU 294 Cb -0.06 0.68 0.02 0.00 0.03 0.00 0.00 46.19 46.85 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 2.44 0.30 4.21 0.00 -1.26 -0.55 121.76 128.67 1nwt s ALA 295 Ca -0.04 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1nwt s ALA 295 Cb -0.11 -3.28 0.56 0.00 0.00 0.00 0.00 23.12 20.29 1nwt s ALA 295 CO -0.08 -1.40 1.89 -0.92 0.00 0.00 0.00 175.76 175.25 1nwt h TYR 296 N -0.41 1.04 0.00 0.00 3.20 0.41 0.05 116.97 121.25 1nwt h TYR 296 Ca -0.45 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 1nwt h TYR 296 Cb 1.24 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1nwt h TYR 296 CO 0.57 0.51 -0.30 0.10 -1.64 0.00 0.00 178.16 177.39 1nwt h TYR 297 N 0.99 0.00 -0.00 -3.82 -0.00 -1.80 -0.78 116.97 111.56 1nwt h TYR 297 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.97 1nwt h TYR 297 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.01 1nwt h TYR 297 CO -0.00 0.30 -0.80 0.93 -0.00 0.00 0.00 178.16 178.59 1nwt h GLU 298 N 0.00 0.04 -0.31 0.10 5.08 -1.39 -3.10 114.58 115.00 1nwt h GLU 298 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1nwt h GLU 298 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1nwt h GLU 298 CO 0.04 0.81 -0.35 0.82 -1.00 0.00 0.00 179.01 179.33 1nwt h ILE 299 N 0.02 1.29 -0.32 3.13 2.04 -0.07 -2.24 117.51 121.37 1nwt h ILE 299 Ca -0.01 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.34 1nwt h ILE 299 Cb 1.41 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1nwt h ILE 299 CO 0.11 0.49 0.21 0.00 0.00 0.00 0.00 178.15 178.95 1nwt h ASP 301 N 0.43 -0.08 -0.93 0.00 3.32 -1.50 -3.16 116.42 114.50 1nwt h ASP 301 Ca 0.12 -0.42 0.19 0.00 0.02 0.00 0.00 57.03 56.94 1nwt h ASP 301 Cb -0.05 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.41 1nwt h ASP 301 CO -0.03 0.39 0.51 0.15 -1.72 0.00 0.00 179.24 178.55 1nwt h PHE 302 N -0.58 0.87 0.00 4.55 3.57 -0.64 0.73 116.94 125.45 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 0.49 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1nwt h PHE 302 CO 0.08 0.12 0.07 -0.07 -2.23 0.00 0.00 178.31 176.28 1nwt h LEU 303 N 0.60 0.00 -8.77 0.59 3.38 -0.47 -3.36 115.31 107.29 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 1.29 -0.13 0.09 0.00 0.00 178.44 179.26 1nwt s ARG 304 N -3.95 3.16 0.00 1.13 0.52 0.25 -1.79 118.95 118.26 1nwt s ARG 304 Ca -0.04 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1nwt s ARG 304 Cb 0.10 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1nwt s ARG 304 CO 0.32 -2.07 0.00 0.41 0.02 0.00 0.00 175.30 173.98 1nwt n GLY 305 N 5.47 0.62 3.75 -3.53 0.00 -1.26 -5.05 105.19 105.19 1nwt n GLY 305 Ca 0.22 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1nwt n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwt s ALA 306 N -2.00 3.48 -0.17 4.61 0.00 -0.74 -4.91 121.76 122.03 1nwt s ALA 306 Ca 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 51.96 50.28 1nwt s ALA 306 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1nwt s ALA 306 CO 0.00 0.17 0.04 0.99 0.00 0.00 0.00 175.76 176.96 1nwt s THR 307 N -2.28 4.61 -0.18 0.00 2.01 -0.60 -4.92 115.64 114.28 1nwt s THR 307 Ca 0.35 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1nwt s THR 307 Cb -0.06 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 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 0.26 4.61 -0.10 3.82 1.01 -1.26 -1.38 120.40 127.36 1nwt s VAL 308 Ca 0.02 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1nwt s VAL 308 Cb -0.13 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1nwt s VAL 308 CO 0.01 0.47 -0.23 -1.00 0.00 0.00 0.00 175.10 174.34 1nwt s HIS 309 N 0.37 2.48 -0.19 5.22 3.76 -0.05 -4.97 115.29 121.90 1nwt s HIS 309 Ca 0.02 -1.01 -0.25 0.00 -0.15 0.00 0.00 55.06 53.67 1nwt s HIS 309 Cb -0.13 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1nwt s HIS 309 CO 0.01 -0.41 0.82 1.03 -0.85 0.00 0.00 174.74 175.34 1nwt s ARG 310 N 0.35 4.26 -0.59 1.40 1.81 -1.26 -1.68 118.95 123.25 1nwt s ARG 310 Ca -0.18 0.97 -0.25 0.00 -1.72 0.00 0.00 55.73 54.54 1nwt s ARG 310 Cb -0.18 -3.59 0.04 0.00 -0.45 0.00 0.00 34.95 30.77 1nwt s ARG 310 CO 0.09 -0.37 1.05 0.42 -0.68 0.00 0.00 175.30 175.81 1nwt s ILE 311 N 2.30 4.20 0.44 1.52 1.01 0.23 -4.99 121.20 125.90 1nwt s ILE 311 Ca 0.37 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.17 1nwt s ILE 311 Cb -0.16 -4.65 -0.09 0.00 0.01 0.00 0.00 42.46 37.56 1nwt s ILE 311 CO 0.11 -1.30 1.31 0.18 0.00 0.00 0.00 174.94 175.24 1nwt n LEU 312 N 7.99 4.36 0.00 2.97 4.77 -1.26 -1.36 117.00 134.46 1nwt n LEU 312 Ca 0.03 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 40.04 1nwt n LEU 312 CO 0.67 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1nwt n GLY 313 N 0.76 1.85 0.05 -0.72 0.00 -1.26 -4.45 105.19 101.42 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 0.44 -1.74 1.61 6.02 -0.88 -3.76 117.38 119.07 1nwt n GLN 314 Ca 0.00 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.79 1nwt n GLN 314 Cb 0.00 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 29.56 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 -2.21 -1.36 -4.24 -1.09 1.13 -0.47 -1.03 117.38 108.11 1nwt n GLN 315 Ca 0.00 1.11 -0.15 0.00 -1.94 0.00 0.00 57.00 56.02 1nwt n GLN 315 Cb 0.49 -5.47 -0.10 0.00 0.11 0.00 0.00 30.24 25.27 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 -2.76 1.21 0.28 5.09 -7.23 -1.25 -4.62 120.40 111.12 1nwt s VAL 316 Ca 0.00 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1nwt s VAL 316 Cb 0.00 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1nwt s VAL 316 CO 0.00 -0.63 0.28 -2.16 -0.31 0.00 0.00 175.10 172.28 1nwt s PRO 317 N -3.33 3.00 0.01 4.82 0.04 -1.25 -0.60 135.00 137.69 1nwt s PRO 317 Ca 0.13 -1.05 -0.00 0.00 0.04 0.00 0.00 61.00 60.13 1nwt s PRO 317 Cb -0.00 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1nwt s PRO 317 CO 0.01 0.30 -0.01 1.52 0.04 0.00 0.00 177.00 178.86 1nwt s TYR 318 N -2.15 0.13 0.10 0.56 -0.85 -0.67 -2.53 117.35 111.94 1nwt s TYR 318 Ca 0.36 -0.26 0.10 0.00 -0.52 0.00 0.00 57.07 56.74 1nwt s TYR 318 Cb -0.08 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 1nwt s TYR 318 CO 0.27 -0.10 -0.23 0.00 -1.52 0.00 0.00 175.55 173.97 1nwt s ALA 319 N -0.73 2.50 -0.02 9.51 0.00 -0.27 -0.88 121.76 131.87 1nwt s ALA 319 Ca -0.08 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 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 0.07 -0.08 0.00 0.00 0.00 175.76 176.30 1nwt s THR 320 N -1.04 0.01 -0.24 0.00 -1.32 -0.48 -1.27 115.64 111.31 1nwt s THR 320 Ca 0.15 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1nwt s THR 320 Cb -0.10 -0.13 0.09 0.00 -1.51 0.00 0.00 72.50 70.84 1nwt s THR 320 CO 0.07 -0.05 0.56 -0.75 -2.21 0.00 0.00 174.62 172.24 1nwt s LYS 321 N -0.12 0.53 6.68 7.08 2.20 -0.87 -1.56 119.74 133.68 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 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1nwt s LYS 321 CO 0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nwt n GLY 322 N 4.70 3.06 1.69 5.54 0.00 -1.26 -1.68 105.19 117.24 1nwt n GLY 322 Ca -0.17 -0.29 -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 2.81 4.44 -4.56 1.61 6.94 -1.26 -4.90 115.26 120.34 1nwt n ASN 323 Ca 0.00 -2.86 -0.32 0.00 -0.02 0.00 0.00 54.58 51.38 1nwt n ASN 323 Cb 0.00 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 36.63 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 -2.43 2.44 -0.05 -3.83 -1.52 -0.68 -0.05 119.66 113.54 1nwt s GLN 324 Ca 0.43 -0.78 -0.02 0.00 -1.95 0.00 0.00 55.36 53.04 1nwt s GLN 324 Cb 0.34 -2.42 0.04 0.00 -0.22 0.00 0.00 33.01 30.74 1nwt s GLN 324 CO 0.11 0.59 0.11 -0.46 -0.25 0.00 0.00 175.29 175.39 1nwt s TRP 325 N -0.96 -0.10 -0.02 0.91 -0.00 -0.60 -2.05 118.94 116.12 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 -0.14 0.03 0.00 -0.00 0.00 0.00 33.47 33.25 1nwt s TRP 325 CO 0.06 -0.14 0.03 0.54 -0.00 0.00 0.00 176.95 177.45 1nwt s VAL 326 N 1.13 -0.06 -0.23 5.86 0.11 -0.39 0.01 120.40 126.83 1nwt s VAL 326 Ca -0.09 0.21 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1nwt s VAL 326 Cb -0.12 -0.08 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1nwt s VAL 326 CO -0.05 0.09 0.16 -0.83 -3.33 0.00 0.00 175.10 171.13 1nwt s GLY 327 N 1.03 2.01 0.11 6.54 0.00 -0.61 -1.11 107.32 115.27 1nwt s GLY 327 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 1nwt s GLY 327 CO -0.03 0.32 0.15 1.58 0.00 0.00 0.00 173.10 175.12 1nwt n TYR 328 N 4.04 -0.73 -5.15 1.90 4.11 -1.05 -1.66 117.16 118.62 1nwt n TYR 328 Ca -0.15 -0.72 -0.29 0.00 -0.00 0.00 0.00 57.90 56.73 1nwt n TYR 328 Cb 0.52 0.17 -0.16 0.00 -0.00 0.00 0.00 39.34 39.87 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 -1.66 2.76 0.37 9.48 1.01 -1.26 -3.84 116.67 123.52 1nwt s ASP 329 Ca 0.09 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1nwt s ASP 329 Cb -0.00 -0.52 -0.01 0.00 1.01 0.00 0.00 42.92 43.40 1nwt s ASP 329 CO 0.06 0.25 0.05 -0.90 0.21 0.00 0.00 175.17 174.85 1nwt n ASP 330 N 2.74 2.27 -0.35 0.27 5.68 -1.26 -4.94 116.55 120.95 1nwt n ASP 330 Ca -0.17 -2.77 0.13 0.00 -0.50 0.00 0.00 54.79 51.48 1nwt n ASP 330 Cb 0.52 0.53 0.32 0.00 -1.14 0.00 0.00 41.12 41.35 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 0.74 -0.22 0.11 4.20 -1.93 -1.24 115.11 116.78 1nwt h GLN 331 Ca -0.30 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 1nwt h GLN 331 Cb 1.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1nwt h GLN 331 CO 0.49 0.49 -0.08 1.49 -0.67 0.00 0.00 178.83 180.55 1nwt h GLU 332 N 0.77 0.44 -0.33 1.46 4.81 -1.99 -2.74 114.58 116.99 1nwt h GLU 332 Ca 0.58 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 1nwt h GLU 332 Cb 0.90 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1nwt h GLU 332 CO -0.38 0.70 -0.15 0.66 -0.73 0.00 0.00 179.01 179.12 1nwt h SER 333 N 0.16 0.70 0.16 1.04 4.64 -1.67 -2.77 113.55 115.80 1nwt h SER 333 Ca 0.05 -0.40 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1nwt h SER 333 Cb 0.56 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1nwt h SER 333 CO 0.03 0.95 -0.14 -0.37 -0.87 0.00 0.00 176.83 176.42 1nwt h VAL 334 N 0.45 1.06 -0.14 0.95 -1.51 -1.32 -0.71 116.25 115.04 1nwt h VAL 334 Ca 0.07 -0.50 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 1nwt h VAL 334 Cb 0.68 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1nwt h VAL 334 CO 0.05 0.14 0.04 0.50 -1.23 0.00 0.00 177.57 177.07 1nwt h LYS 335 N 0.00 0.22 -0.72 5.19 3.64 -1.30 -0.60 116.57 123.00 1nwt h LYS 335 Ca -0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1nwt h LYS 335 Cb 0.26 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1nwt h LYS 335 CO 0.02 0.36 0.40 0.77 -2.27 0.00 0.00 179.45 178.73 1nwt h SER 336 N 0.04 0.90 -0.60 4.20 0.02 -1.10 -1.32 113.55 115.69 1nwt h SER 336 Ca 0.05 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1nwt h SER 336 Cb 0.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1nwt h SER 336 CO -0.00 0.74 0.31 0.11 -1.14 0.00 0.00 176.83 176.85 1nwt h LYS 337 N 0.99 0.87 -0.27 3.45 1.57 -0.87 -0.17 116.57 122.14 1nwt h LYS 337 Ca 0.25 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1nwt h LYS 337 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1nwt h LYS 337 CO -0.04 0.67 -0.08 0.28 -0.57 0.00 0.00 179.45 179.70 1nwt h VAL 338 N 0.88 1.29 -0.40 0.50 2.07 -0.56 -1.59 116.25 118.43 1nwt h VAL 338 Ca 0.22 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.69 1nwt h VAL 338 Cb 0.07 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1nwt h VAL 338 CO -0.03 0.35 -0.15 -0.61 0.02 0.00 0.00 177.57 177.16 1nwt h GLN 339 N 0.28 -0.06 -0.02 1.57 5.75 -0.57 0.20 115.11 122.26 1nwt h GLN 339 Ca 0.07 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1nwt h GLN 339 Cb 0.57 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 1nwt h GLN 339 CO 0.03 -0.04 -0.19 -0.92 -2.65 0.00 0.00 178.83 175.05 1nwt h TYR 340 N -0.06 -0.51 -0.41 3.99 3.20 -0.84 0.24 116.97 122.58 1nwt h TYR 340 Ca 0.19 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1nwt h TYR 340 Cb 0.36 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1nwt h TYR 340 CO -0.39 -0.28 0.18 1.37 -1.64 0.00 0.00 178.16 177.40 1nwt h LEU 341 N -0.30 0.51 -0.19 2.82 8.10 -0.54 -1.02 115.31 124.69 1nwt h LEU 341 Ca 0.06 -0.05 -0.12 0.00 0.11 0.00 0.00 57.88 57.89 1nwt h LEU 341 Cb 0.39 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1nwt h LEU 341 CO -0.20 0.45 -0.34 0.11 -4.11 0.00 0.00 178.44 174.35 1nwt h LYS 342 N 0.57 0.56 0.00 0.17 1.57 -0.55 -0.63 116.57 118.26 1nwt h LYS 342 Ca 0.14 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1nwt h LYS 342 Cb 0.09 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nwt h LYS 342 CO -0.02 0.97 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.39 1nwt h ASP 343 N 0.23 0.00 0.50 0.86 3.32 -0.45 0.25 116.42 121.13 1nwt h ASP 343 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nwt h ASP 343 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1nwt h ASP 343 CO 0.08 0.00 -0.42 0.54 -1.72 0.00 0.00 179.24 177.71 1nwt n ARG 344 N -4.01 0.11 -3.47 3.56 5.12 -0.43 -4.97 116.66 112.58 1nwt n ARG 344 Ca -0.03 -0.06 -0.20 0.00 -1.93 0.00 0.00 57.85 55.63 1nwt n ARG 344 Cb 0.08 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 29.97 1nwt n ARG 344 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nwt n GLN 345 N -1.39 -7.04 -2.23 5.56 6.02 0.87 -4.97 117.38 114.20 1nwt n GLN 345 Ca 0.07 0.81 -0.27 0.00 -0.01 0.00 0.00 57.00 57.60 1nwt n GLN 345 Cb 0.34 -5.75 0.05 0.00 1.02 0.00 0.00 30.24 25.90 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 -6.64 2.95 0.49 1.08 1.43 -0.51 -4.17 118.68 113.31 1nwt s LEU 346 Ca 0.29 0.62 0.20 0.00 -1.03 0.00 0.00 54.13 54.20 1nwt s LEU 346 Cb -0.13 -3.33 1.24 0.00 0.03 0.00 0.00 46.19 44.00 1nwt s LEU 346 CO 0.70 -1.41 2.05 0.00 0.23 0.00 0.00 176.35 177.93 1nwt h ALA 347 N -0.48 1.57 0.00 4.21 0.00 0.10 -3.46 119.26 121.19 1nwt h ALA 347 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1nwt h ALA 347 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nwt h ALA 347 CO 0.61 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1nwt n GLY 348 N -0.97 0.07 3.52 0.00 0.00 -1.23 -0.76 105.19 105.82 1nwt n GLY 348 Ca -0.02 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 2.81 -0.04 4.61 0.00 -0.89 -1.06 121.76 126.19 1nwt s ALA 349 Ca 0.00 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.49 1nwt s ALA 349 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1nwt s ALA 349 CO 0.00 0.45 -0.23 1.41 0.00 0.00 0.00 175.76 177.39 1nwt s MET 350 N -2.79 2.14 -0.09 0.00 0.00 0.33 -1.64 119.30 117.26 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 -0.08 -1.94 -0.01 0.00 0.00 0.00 0.00 34.83 32.80 1nwt s MET 350 CO 0.13 0.43 -0.22 0.08 0.00 0.00 0.00 175.02 175.45 1nwt s VAL 351 N -0.34 2.30 -0.24 10.11 1.01 0.12 0.51 120.40 133.87 1nwt s VAL 351 Ca 0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1nwt s VAL 351 Cb -0.11 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.46 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 0.14 1.68 0.11 5.22 -0.11 -1.08 -1.65 118.94 123.26 1nwt s TRP 352 Ca -0.11 -1.42 -0.01 0.00 1.22 0.00 0.00 56.10 55.77 1nwt s TRP 352 Cb -0.16 -1.43 -0.04 0.00 -1.50 0.00 0.00 33.47 30.34 1nwt s TRP 352 CO 0.06 -0.74 0.04 0.00 -4.62 0.00 0.00 176.95 171.70 1nwt s ALA 353 N 1.63 0.77 0.42 5.86 0.00 -1.26 -1.71 121.76 127.48 1nwt s ALA 353 Ca 0.01 -1.40 0.14 0.00 0.00 0.00 0.00 51.96 50.71 1nwt s ALA 353 Cb -0.18 0.75 1.02 0.00 0.00 0.00 0.00 23.12 24.71 1nwt s ALA 353 CO -0.12 -0.47 1.94 -0.07 0.00 0.00 0.00 175.76 177.05 1nwt h LEU 354 N 2.92 0.40 -0.31 0.00 3.38 -1.13 -0.59 115.31 119.99 1nwt h LEU 354 Ca -0.35 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1nwt h LEU 354 Cb 1.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nwt h LEU 354 CO 0.60 0.23 0.00 -0.90 0.09 0.00 0.00 178.44 178.46 1nwt n ASP 355 N -4.48 0.47 -0.00 -0.43 5.68 -1.26 -3.01 116.55 113.52 1nwt n ASP 355 Ca 0.12 -1.40 0.06 0.00 -0.50 0.00 0.00 54.79 53.08 1nwt n ASP 355 Cb 0.45 -0.02 -0.09 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.53 0.20 -4.83 -2.12 4.77 -0.25 -4.90 117.00 109.34 1nwt n LEU 356 Ca 0.17 -0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1nwt n LEU 356 Cb 0.15 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.38 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 -3.04 3.57 -1.29 -1.43 -1.08 -1.10 -0.86 116.67 111.45 1nwt s ASP 357 Ca -0.02 0.78 -0.17 0.00 -0.52 0.00 0.00 52.55 52.62 1nwt s ASP 357 Cb 0.09 -1.23 0.09 0.00 -1.46 0.00 0.00 42.92 40.40 1nwt s ASP 357 CO 0.53 -2.49 1.70 -0.67 0.52 0.00 0.00 175.17 174.75 1nwt n ASP 358 N -3.70 4.97 0.22 -0.34 2.03 -1.26 -4.58 116.55 113.90 1nwt n ASP 358 Ca 0.09 -2.93 0.10 0.00 0.52 0.00 0.00 54.79 52.56 1nwt n ASP 358 Cb 0.60 -1.72 0.49 0.00 -0.72 0.00 0.00 41.12 39.77 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 7.48 0.00 0.01 -0.67 -0.00 -1.90 0.85 116.94 122.71 1nwt h PHE 359 Ca 0.43 0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 58.20 1nwt h PHE 359 Cb 0.87 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.80 1nwt h PHE 359 CO 1.38 0.23 -0.93 1.96 -0.00 0.00 0.00 178.31 180.95 1nwt h GLN 360 N 0.00 0.08 -0.05 6.09 1.08 -1.91 -3.40 115.11 117.00 1nwt h GLN 360 Ca -0.00 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1nwt h GLN 360 Cb 0.68 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1nwt h GLN 360 CO 0.03 0.95 -0.02 0.41 -0.95 0.00 0.00 178.83 179.25 1nwt n GLY 361 N 1.06 0.42 0.00 3.46 0.00 -0.94 -4.76 105.19 104.43 1nwt n GLY 361 Ca -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.17 0.82 0.04 1.61 3.41 -1.26 -3.43 113.62 114.63 1nwt n SER 362 Ca -0.01 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.60 1nwt n SER 362 Cb 0.18 1.08 -0.14 0.00 -0.26 0.00 0.00 64.21 65.08 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 0.51 -0.43 7.33 -1.00 -1.90 -3.37 116.94 118.07 1nwt h PHE 363 Ca 0.00 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.41 1nwt h PHE 363 Cb 0.44 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1nwt h PHE 363 CO 0.00 1.60 0.00 0.00 -1.61 0.00 0.00 178.31 178.30 1nwt n GLY 365 N 1.43 -1.98 3.66 0.00 0.00 -1.26 -4.89 105.19 102.15 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 -0.99 0.00 -0.76 1.61 1.13 -1.26 -3.71 117.38 113.41 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 -3.29 -0.01 0.00 0.11 0.00 0.00 30.24 27.11 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 -3.33 -4.73 1.08 8.00 -1.22 -4.90 116.55 111.45 1nwt n ASP 367 Ca 0.00 0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 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 -0.88 4.36 0.21 0.64 2.96 -1.24 -4.85 118.68 119.88 1nwt s LEU 368 Ca 0.00 1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.05 1nwt s LEU 368 Cb 0.00 -3.12 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 1nwt s LEU 368 CO 0.00 -0.07 0.58 -0.13 -1.32 0.00 0.00 176.35 175.41 1nwt s ARG 369 N 0.50 3.90 -1.29 1.98 0.52 -1.26 -4.16 118.95 119.14 1nwt s ARG 369 Ca 0.38 0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 55.92 1nwt s ARG 369 Cb -0.19 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.55 1nwt s ARG 369 CO 0.20 0.36 0.60 1.19 0.02 0.00 0.00 175.30 177.66 1nwt n PHE 370 N 0.20 -1.78 -0.17 -0.53 3.72 0.25 -4.77 117.46 114.39 1nwt n PHE 370 Ca -0.01 0.64 -0.02 0.00 -0.05 0.00 0.00 57.45 58.01 1nwt n PHE 370 Cb 0.52 -3.72 0.07 0.00 -0.94 0.00 0.00 39.48 35.42 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 -1.87 0.32 -0.11 -1.08 0.13 -1.75 0.25 132.00 127.89 1nwt h PRO 371 Ca -0.64 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.44 1nwt h PRO 371 Cb 1.37 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1nwt h PRO 371 CO 0.56 0.21 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.43 1nwt h LEU 372 N 0.33 0.23 -0.53 1.56 3.38 -1.94 -0.45 115.31 117.88 1nwt h LEU 372 Ca 0.26 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1nwt h LEU 372 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1nwt h LEU 372 CO -0.28 0.57 0.11 0.74 0.09 0.00 0.00 178.44 179.66 1nwt h THR 373 N -0.12 1.25 -0.48 0.22 2.02 -1.91 -1.31 112.91 112.59 1nwt h THR 373 Ca 0.03 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 1nwt h THR 373 Cb 0.48 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1nwt h THR 373 CO 0.01 0.33 0.07 0.78 0.37 0.00 0.00 175.52 177.08 1nwt h ASN 374 N 0.75 0.71 -0.81 4.18 2.35 -0.51 0.46 115.58 122.72 1nwt h ASN 374 Ca 0.16 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1nwt h ASN 374 Cb 0.37 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1nwt h ASN 374 CO 0.01 0.74 0.38 0.00 -1.65 0.00 0.00 177.43 176.90 1nwt h ALA 375 N 1.35 1.13 -0.27 -0.83 0.00 -0.64 0.81 119.26 120.81 1nwt h ALA 375 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nwt h ALA 375 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nwt h ALA 375 CO 0.01 0.65 -0.07 0.82 0.00 0.00 0.00 179.25 180.65 1nwt h ILE 376 N 1.17 1.28 -0.08 0.00 2.04 -0.50 -1.75 117.51 119.67 1nwt h ILE 376 Ca 0.28 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1nwt h ILE 376 Cb 0.14 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1nwt h ILE 376 CO -0.03 0.35 -0.00 0.50 0.00 0.00 0.00 178.15 178.96 1nwt h LYS 377 N 0.28 0.02 -0.37 2.37 3.64 -0.53 -1.34 116.57 120.65 1nwt h LYS 377 Ca 0.07 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1nwt h LYS 377 Cb 0.55 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1nwt h LYS 377 CO 0.03 0.02 0.15 -0.44 -2.27 0.00 0.00 179.45 176.93 1nwt h ASP 378 N 0.02 0.18 -0.83 4.20 3.32 -0.80 -2.29 116.42 120.22 1nwt h ASP 378 Ca 0.04 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1nwt h ASP 378 Cb 0.05 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1nwt h ASP 378 CO -0.07 0.14 0.55 0.00 -1.72 0.00 0.00 179.24 178.14 1nwt h ALA 379 N 1.23 1.44 -0.35 3.45 0.00 -1.02 -0.98 119.26 123.03 1nwt h ALA 379 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1nwt h ALA 379 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nwt h ALA 379 CO -0.16 0.50 -0.05 -0.07 0.00 0.00 0.00 179.25 179.48 1nwt h LEU 380 N 1.09 0.55 0.00 0.00 3.38 -0.70 -2.87 115.31 116.76 1nwt h LEU 380 Ca 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1nwt h LEU 380 Cb -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1nwt h LEU 380 CO -0.08 0.65 -0.47 0.00 0.09 0.00 0.00 178.44 178.63 1nwt h ALA 381 N 1.41 0.78 -2.07 1.53 0.00 -1.01 -3.47 119.26 116.43 1nwt h ALA 381 Ca 0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 54.91 54.50 1nwt h ALA 381 Cb 0.42 0.01 0.22 0.00 0.00 0.00 0.00 17.79 18.44 1nwt h ALA 381 CO 0.02 0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 1nwt s ALA 382 N -3.22 -0.85 0.00 0.00 0.00 -0.43 -5.11 121.76 112.15 1nwt s ALA 382 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.66 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 -4.27 0.00 2.41 0.00 0.00 0.00 175.76 174.63