#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wra s ASN 31 N 0.00 2.16 0.04 1.61 0.01 -1.26 -4.67 114.94 112.83 1wra s ASN 31 Ca 0.00 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1wra s ASN 31 Cb 0.00 -0.86 -0.03 0.00 0.41 0.00 0.00 41.25 40.77 1wra s ASN 31 CO 0.00 -0.10 -0.06 -0.54 -1.51 0.00 0.00 177.10 174.90 1wra s LYS 32 N 1.57 0.52 -0.12 -0.60 1.02 -0.36 -0.64 119.74 121.13 1wra s LYS 32 Ca 0.03 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1wra s LYS 32 Cb -0.13 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1wra s LYS 32 CO -0.07 -0.01 -0.14 -1.50 -0.92 0.00 0.00 175.35 172.71 1wra s ILE 33 N -2.08 1.47 -0.33 2.17 2.07 -0.51 -1.16 121.20 122.83 1wra s ILE 33 Ca -0.06 -0.61 -0.09 0.00 -1.41 0.00 0.00 60.65 58.47 1wra s ILE 33 Cb -0.05 -1.37 0.01 0.00 0.13 0.00 0.00 42.46 41.18 1wra s ILE 33 CO -0.02 0.44 0.16 -1.00 -1.91 0.00 0.00 174.94 172.60 1wra s HIS 34 N 1.17 3.20 -0.42 3.50 3.76 0.13 -1.53 115.29 125.11 1wra s HIS 34 Ca -0.03 -0.82 -0.21 0.00 -0.15 0.00 0.00 55.06 53.86 1wra s HIS 34 Cb -0.14 -2.36 0.02 0.00 1.11 0.00 0.00 32.58 31.20 1wra s HIS 34 CO -0.04 -0.56 0.64 -0.06 -0.85 0.00 0.00 174.74 173.87 1wra s PHE 35 N 1.56 3.08 0.23 1.40 0.08 0.58 -0.95 117.98 123.96 1wra s PHE 35 Ca 0.03 0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.81 1wra s PHE 35 Cb -0.18 -3.30 -0.12 0.00 -0.57 0.00 0.00 43.02 38.85 1wra s PHE 35 CO 0.06 -0.81 1.70 0.42 -0.10 0.00 0.00 175.22 176.48 1wra s ILE 36 N 2.80 2.01 0.19 0.64 -1.09 -0.18 -0.84 121.20 124.73 1wra s ILE 36 Ca 0.23 0.01 -0.29 0.00 -2.23 0.00 0.00 60.65 58.37 1wra s ILE 36 Cb -0.14 -3.01 -0.08 0.00 -1.58 0.00 0.00 42.46 37.65 1wra s ILE 36 CO 0.18 0.00 0.90 0.20 -1.23 0.00 0.00 174.94 175.00 1wra s ASN 37 N 1.00 7.54 0.59 3.58 0.01 -0.29 -4.67 114.94 122.70 1wra s ASN 37 Ca 0.72 1.83 -0.14 0.00 -0.71 0.00 0.00 52.86 54.56 1wra s ASN 37 Cb -0.49 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.55 1wra s ASN 37 CO 0.36 0.11 1.03 0.68 -1.51 0.00 0.00 177.10 177.78 1wra s VAL 38 N -0.86 4.24 -0.13 1.60 -7.23 -0.72 -4.78 120.40 112.53 1wra s VAL 38 Ca 0.41 0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 61.27 1wra s VAL 38 Cb -0.25 -3.58 -0.22 0.00 0.56 0.00 0.00 36.38 32.89 1wra s VAL 38 CO 0.30 -0.75 0.68 1.56 -0.31 0.00 0.00 175.10 176.58 1wra h GLN 39 N 0.21 -0.01 -2.86 4.82 4.20 -1.79 -1.40 115.11 118.29 1wra h GLN 39 Ca -0.46 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.15 1wra h GLN 39 Cb 1.20 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.79 1wra h GLN 39 CO 0.59 0.83 -0.19 -1.21 -0.67 0.00 0.00 178.83 178.18 1wra s GLU 40 N -2.23 0.75 2.37 1.46 2.02 -1.24 -4.67 118.70 117.16 1wra s GLU 40 Ca -0.16 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1wra s GLU 40 Cb -0.02 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1wra s GLU 40 CO 0.59 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1wra n GLY 41 N 1.17 -0.72 2.92 -1.39 0.00 -1.26 -4.55 105.19 101.36 1wra n GLY 41 Ca -0.21 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1wra n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wra s GLY 42 N 0.00 0.45 -0.22 -0.02 0.00 -1.26 -2.51 107.32 103.76 1wra s GLY 42 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.33 1wra s GLY 42 CO 0.00 0.26 0.95 -0.45 0.00 0.00 0.00 173.10 173.87 1wra s SER 43 N 0.66 -0.48 -0.17 1.64 0.15 -1.16 -4.94 113.70 109.41 1wra s SER 43 Ca -0.09 0.76 -0.01 0.00 0.70 0.00 0.00 55.95 57.30 1wra s SER 43 Cb -0.12 0.71 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 1wra s SER 43 CO 0.00 -0.27 -0.11 -1.81 1.20 0.00 0.00 173.24 172.25 1wra s ASP 44 N -0.35 3.98 -0.10 5.45 1.11 -0.75 -4.75 116.67 121.27 1wra s ASP 44 Ca -0.00 -0.40 -0.04 0.00 0.18 0.00 0.00 52.55 52.29 1wra s ASP 44 Cb -0.03 -1.64 0.05 0.00 1.07 0.00 0.00 42.92 42.37 1wra s ASP 44 CO -0.01 0.08 0.20 0.00 1.18 0.00 0.00 175.17 176.62 1wra s ALA 45 N 0.87 -0.36 -0.07 5.23 0.00 -1.26 -1.01 121.76 125.16 1wra s ALA 45 Ca -0.03 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1wra s ALA 45 Cb -0.15 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1wra s ALA 45 CO 0.00 -0.44 -0.06 0.42 0.00 0.00 0.00 175.76 175.69 1wra s ILE 46 N 1.91 0.73 -0.19 0.00 1.01 -0.63 -1.01 121.20 123.02 1wra s ILE 46 Ca -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1wra s ILE 46 Cb -0.12 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1wra s ILE 46 CO -0.07 0.29 0.02 -0.51 0.00 0.00 0.00 174.94 174.67 1wra s ILE 47 N 1.24 4.22 -0.11 2.92 1.10 -0.13 -0.81 121.20 129.63 1wra s ILE 47 Ca -0.05 -0.23 -0.11 0.00 -0.51 0.00 0.00 60.65 59.75 1wra s ILE 47 Cb -0.14 -2.90 -0.05 0.00 0.15 0.00 0.00 42.46 39.52 1wra s ILE 47 CO -0.02 0.44 0.25 -0.76 -2.11 0.00 0.00 174.94 172.74 1wra s LEU 48 N 0.74 4.35 -0.12 8.50 1.43 -0.14 -0.69 118.68 132.75 1wra s LEU 48 Ca 0.01 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1wra s LEU 48 Cb -0.14 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1wra s LEU 48 CO 0.02 0.27 -0.11 -0.70 0.23 0.00 0.00 176.35 176.06 1wra s GLU 49 N -0.43 1.88 -0.14 1.70 2.12 -0.31 -1.15 118.70 122.37 1wra s GLU 49 Ca 0.17 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 1wra s GLU 49 Cb -0.13 -1.77 0.07 0.00 0.26 0.00 0.00 34.13 32.56 1wra s GLU 49 CO 0.05 -0.20 0.20 0.45 -0.54 0.00 0.00 175.26 175.23 1wra s SER 50 N 1.44 0.92 0.00 -1.70 0.15 -0.38 -1.22 113.70 112.91 1wra s SER 50 Ca 0.01 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1wra s SER 50 Cb -0.13 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wra s SER 50 CO -0.07 -0.27 0.00 -3.20 1.20 0.00 0.00 173.24 170.90 1wra n ASN 51 N 5.33 0.00 -0.63 5.45 5.15 -1.26 -0.66 115.26 128.64 1wra n ASN 51 Ca -0.05 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1wra n ASN 51 Cb 0.50 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.74 1wra n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wra n GLY 52 N 0.00 0.76 3.91 8.20 0.00 -1.26 -3.94 105.19 112.85 1wra n GLY 52 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1wra n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wra s HIS 53 N 0.00 3.48 0.01 1.61 3.76 0.17 -5.04 115.29 119.28 1wra s HIS 53 Ca 0.03 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 1wra s HIS 53 Cb 0.03 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1wra s HIS 53 CO -0.01 0.42 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.12 1wra s PHE 54 N -1.71 0.98 0.16 1.40 0.08 -1.26 -1.25 117.98 116.37 1wra s PHE 54 Ca 0.40 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 57.09 1wra s PHE 54 Cb -0.12 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 1wra s PHE 54 CO 0.26 -0.01 0.32 0.00 -0.10 0.00 0.00 175.22 175.70 1wra s ALA 55 N -0.54 -0.24 -0.03 5.36 0.00 -0.30 -1.24 121.76 124.77 1wra s ALA 55 Ca 0.02 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1wra s ALA 55 Cb -0.06 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1wra s ALA 55 CO 0.00 -0.66 -0.17 -1.64 0.00 0.00 0.00 175.76 173.29 1wra s MET 56 N -3.93 1.55 -0.34 0.00 -1.94 -0.78 -0.96 119.30 112.89 1wra s MET 56 Ca 0.14 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.44 1wra s MET 56 Cb 0.03 -1.43 0.04 0.00 2.01 0.00 0.00 34.83 35.48 1wra s MET 56 CO -0.02 0.32 0.11 0.08 -0.01 0.00 0.00 175.02 175.49 1wra s VAL 57 N -0.22 3.83 0.42 -6.03 1.01 0.01 -0.59 120.40 118.83 1wra s VAL 57 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1wra s VAL 57 Cb -0.09 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1wra s VAL 57 CO 0.00 -0.18 0.00 0.47 0.00 0.00 0.00 175.10 175.40 1wra n ASP 58 N 4.82 -8.25 0.00 3.32 8.00 0.33 -1.61 116.55 123.16 1wra n ASP 58 Ca -0.12 0.85 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1wra n ASP 58 Cb 0.45 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1wra n ASP 58 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wra n THR 59 N -4.19 0.00 0.00 -3.53 -2.24 0.10 -3.54 114.28 100.89 1wra n THR 59 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1wra n THR 59 Cb 0.64 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 1wra n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wra n GLY 60 N 0.00 -1.31 3.77 3.38 0.00 -0.18 -4.12 105.19 106.73 1wra n GLY 60 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1wra n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wra s GLU 61 N -2.26 4.10 0.25 1.61 2.56 -1.23 -2.27 118.70 121.45 1wra s GLU 61 Ca 0.00 1.91 0.10 0.00 0.00 0.00 0.00 54.97 56.99 1wra s GLU 61 Cb 0.00 -2.75 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 1wra s GLU 61 CO 0.00 -0.30 -0.09 0.16 -0.56 0.00 0.00 175.26 174.47 1wra s ASP 62 N -1.01 4.17 0.26 -1.70 -4.77 -1.26 -0.67 116.67 111.69 1wra s ASP 62 Ca 0.56 -0.76 -0.03 0.00 -3.30 0.00 0.00 52.55 49.02 1wra s ASP 62 Cb -0.33 -0.64 0.42 0.00 -1.09 0.00 0.00 42.92 41.28 1wra s ASP 62 CO 0.41 0.03 1.85 1.88 0.70 0.00 0.00 175.17 180.05 1wra h TYR 63 N 2.22 1.08 -4.26 2.11 0.05 -1.96 -3.45 116.97 112.76 1wra h TYR 63 Ca -0.43 0.03 -0.51 0.00 0.05 0.00 0.00 58.73 57.87 1wra h TYR 63 Cb 1.24 -0.35 0.11 0.00 1.01 0.00 0.00 36.73 38.74 1wra h TYR 63 CO 0.72 0.51 0.35 0.34 -1.05 0.00 0.00 178.16 179.03 1wra s ASP 64 N -5.78 5.04 -0.10 3.88 2.15 -1.26 -4.96 116.67 115.64 1wra s ASP 64 Ca -0.12 1.85 -0.30 0.00 0.43 0.00 0.00 52.55 54.41 1wra s ASP 64 Cb 0.20 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.41 1wra s ASP 64 CO 0.80 -1.68 0.99 0.72 -0.17 0.00 0.00 175.17 175.84 1wra s PHE 65 N -2.66 -0.32 0.31 -5.34 -0.12 -1.26 -5.00 117.98 103.60 1wra s PHE 65 Ca 0.63 0.36 -0.27 0.00 -0.05 0.00 0.00 56.93 57.60 1wra s PHE 65 Cb -0.18 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.62 1wra s PHE 65 CO 0.48 -0.40 0.98 -1.25 -0.05 0.00 0.00 175.22 174.98 1wra s PRO 66 N -2.15 4.58 0.00 1.99 0.04 -1.26 -4.97 135.00 133.23 1wra s PRO 66 Ca 0.03 1.44 0.22 0.00 0.04 0.00 0.00 61.00 62.73 1wra s PRO 66 Cb -0.01 -2.90 0.14 0.00 0.04 0.00 0.00 34.50 31.78 1wra s PRO 66 CO -0.04 0.26 1.17 -0.40 0.04 0.00 0.00 177.00 178.02 1wra n ASP 67 N 0.72 2.67 0.00 6.66 5.68 -1.26 -4.79 116.55 126.23 1wra n ASP 67 Ca 0.01 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1wra n ASP 67 Cb 0.49 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1wra n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wra n GLY 68 N 1.26 0.72 0.24 6.12 0.00 -1.22 -4.37 105.19 107.95 1wra n GLY 68 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1wra n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wra h SER 69 N 0.00 0.00 -3.63 1.61 4.64 -1.93 -3.36 113.55 110.87 1wra h SER 69 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1wra h SER 69 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 1wra h SER 69 CO 0.00 0.12 -0.56 -0.62 -0.87 0.00 0.00 176.83 174.90 1wra s ASP 70 N -6.00 5.49 0.06 4.97 -1.08 -1.26 -4.99 116.67 113.86 1wra s ASP 70 Ca 0.01 -1.11 0.08 0.00 -0.52 0.00 0.00 52.55 51.01 1wra s ASP 70 Cb 0.09 -1.93 0.36 0.00 -1.46 0.00 0.00 42.92 39.98 1wra s ASP 70 CO 0.60 -0.36 1.24 -1.54 0.52 0.00 0.00 175.17 175.63 1wra n SER 71 N 4.89 0.11 0.23 -0.34 3.41 -1.26 -0.46 113.62 120.20 1wra n SER 71 Ca -0.12 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1wra n SER 71 Cb 0.45 -0.56 0.54 0.00 -0.26 0.00 0.00 64.21 64.38 1wra n SER 71 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wra h ARG 72 N 0.00 0.00 -2.17 4.33 2.43 -1.94 -3.32 114.38 113.71 1wra h ARG 72 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 1wra h ARG 72 Cb 0.08 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.23 1wra h ARG 72 CO 0.00 0.21 -0.84 0.66 -1.51 0.00 0.00 179.97 178.49 1wra n TYR 73 N -4.05 1.61 -1.40 2.20 4.01 0.40 -4.96 117.16 114.98 1wra n TYR 73 Ca -0.02 -3.86 -0.31 0.00 -0.16 0.00 0.00 57.90 53.55 1wra n TYR 73 Cb 0.28 -0.42 0.08 0.00 -0.31 0.00 0.00 39.34 38.96 1wra n TYR 73 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wra s PRO 74 N -1.71 2.48 0.30 -0.72 0.04 -1.24 -3.45 135.00 130.69 1wra s PRO 74 Ca 0.37 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1wra s PRO 74 Cb 0.14 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.64 1wra s PRO 74 CO -0.07 -1.45 1.50 -0.46 0.04 0.00 0.00 177.00 176.55 1wra s TRP 75 N -2.98 2.83 0.07 0.56 -0.11 -1.26 -4.65 118.94 113.40 1wra s TRP 75 Ca 0.60 1.00 -0.11 0.00 1.22 0.00 0.00 56.10 58.81 1wra s TRP 75 Cb -0.16 -3.94 0.01 0.00 -1.50 0.00 0.00 33.47 27.88 1wra s TRP 75 CO 0.56 -3.01 0.24 1.03 -4.62 0.00 0.00 176.95 171.14 1wra s ARG 76 N -0.90 0.82 0.16 5.86 0.52 -1.26 -5.01 118.95 119.14 1wra s ARG 76 Ca 0.59 -0.74 -0.23 0.00 -0.52 0.00 0.00 55.73 54.82 1wra s ARG 76 Cb -0.45 0.34 -0.08 0.00 0.52 0.00 0.00 34.95 35.28 1wra s ARG 76 CO 0.50 -0.26 0.73 -2.00 0.02 0.00 0.00 175.30 174.29 1wra s GLU 77 N -3.20 4.45 0.00 3.54 2.56 -1.26 -2.41 118.70 122.38 1wra s GLU 77 Ca -0.00 1.04 0.00 0.00 0.00 0.00 0.00 54.97 56.01 1wra s GLU 77 Cb 0.02 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.96 1wra s GLU 77 CO -0.07 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.59 1wra n GLY 78 N 1.45 1.22 3.66 -1.50 0.00 -1.26 -4.89 105.19 103.86 1wra n GLY 78 Ca -0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 1wra n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wra n ILE 79 N -2.00 0.43 -2.61 -0.61 5.41 -1.01 -4.92 119.36 114.05 1wra n ILE 79 Ca 0.00 -0.11 -0.41 0.00 1.00 0.00 0.00 62.75 63.24 1wra n ILE 79 Cb 0.00 -1.42 -0.04 0.00 -0.71 0.00 0.00 39.64 37.46 1wra n ILE 79 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1wra s GLU 80 N 0.28 4.67 0.00 0.38 2.56 -1.26 -4.89 118.70 120.43 1wra s GLU 80 Ca 0.75 1.62 0.00 0.00 0.00 0.00 0.00 54.97 57.33 1wra s GLU 80 Cb -0.70 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.13 1wra s GLU 80 CO 0.44 0.19 0.00 0.25 -0.56 0.00 0.00 175.26 175.58 1wra n THR 81 N 2.27 0.00 -2.55 -1.70 -2.24 -1.26 -4.81 114.28 104.00 1wra n THR 81 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1wra n THR 81 Cb 0.47 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1wra n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wra s SER 82 N -0.63 7.07 0.60 3.42 0.15 -1.26 -4.91 113.70 118.13 1wra s SER 82 Ca 0.00 1.60 0.30 0.00 0.70 0.00 0.00 55.95 58.55 1wra s SER 82 Cb 0.00 -2.55 1.82 0.00 -1.71 0.00 0.00 66.02 63.58 1wra s SER 82 CO 0.00 -0.64 2.22 1.88 1.20 0.00 0.00 173.24 177.90 1wra h TYR 83 N 7.63 0.00 0.00 3.44 0.99 -1.97 -0.67 116.97 126.39 1wra h TYR 83 Ca -0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1wra h TYR 83 Cb 1.11 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.84 1wra h TYR 83 CO 0.76 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.79 1wra h LYS 84 N 0.00 0.00 -0.12 4.88 1.57 -1.96 -2.57 116.57 118.37 1wra h LYS 84 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1wra h LYS 84 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1wra h LYS 84 CO -0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1wra n HIS 85 N -2.68 0.13 -2.95 -1.35 8.25 -0.26 -3.72 115.22 112.64 1wra n HIS 85 Ca 0.00 -0.07 -0.40 0.00 -0.26 0.00 0.00 57.72 56.99 1wra n HIS 85 Cb 0.21 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 1wra n HIS 85 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wra s VAL 86 N -1.68 4.82 -1.25 1.59 1.01 -0.97 -4.54 120.40 119.38 1wra s VAL 86 Ca 0.28 1.66 0.17 0.00 0.00 0.00 0.00 61.98 64.09 1wra s VAL 86 Cb 0.19 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1wra s VAL 86 CO 0.27 0.30 0.81 0.18 0.00 0.00 0.00 175.10 176.67 1wra n LEU 87 N 3.21 1.33 -0.39 3.92 4.32 0.16 -4.74 117.00 124.81 1wra n LEU 87 Ca -0.01 -0.66 -0.03 0.00 -0.02 0.00 0.00 56.01 55.29 1wra n LEU 87 Cb 0.51 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.32 1wra n LEU 87 CO 0.48 0.27 0.55 0.41 -1.22 0.00 0.00 177.39 177.89 1wra n THR 88 N -0.60 -0.55 -0.05 -5.08 -1.04 -1.10 -1.39 114.28 104.46 1wra n THR 88 Ca 0.06 2.32 -0.06 0.00 -2.04 0.00 0.00 64.05 64.33 1wra n THR 88 Cb 0.32 -3.02 0.13 0.00 -1.82 0.00 0.00 70.33 65.93 1wra n THR 88 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1wra h ASP 89 N 0.00 0.68 -0.35 8.00 3.32 -1.92 -2.04 116.42 124.10 1wra h ASP 89 Ca 0.30 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1wra h ASP 89 Cb 0.55 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1wra h ASP 89 CO -0.97 0.89 -0.25 0.03 -1.72 0.00 0.00 179.24 177.22 1wra h ARG 90 N 0.59 0.86 -0.03 3.56 3.08 -1.64 -0.71 114.38 120.10 1wra h ARG 90 Ca 0.08 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1wra h ARG 90 Cb 0.70 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1wra h ARG 90 CO 0.05 1.01 0.01 0.28 -1.07 0.00 0.00 179.97 180.26 1wra h VAL 91 N 0.74 1.09 -0.31 2.04 2.07 -1.04 -1.09 116.25 119.75 1wra h VAL 91 Ca 0.09 -0.27 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 1wra h VAL 91 Cb 0.80 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1wra h VAL 91 CO 0.07 0.07 -0.44 -0.26 0.02 0.00 0.00 177.57 177.03 1wra h PHE 92 N -0.07 0.95 -0.46 1.57 -1.00 -1.35 -1.80 116.94 114.78 1wra h PHE 92 Ca 0.01 -0.30 -0.04 0.00 2.81 0.00 0.00 57.97 60.45 1wra h PHE 92 Cb 0.11 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 1wra h PHE 92 CO -0.04 1.08 0.14 -0.09 -1.61 0.00 0.00 178.31 177.79 1wra h ARG 93 N 0.63 0.72 -0.53 1.51 2.43 -1.09 -2.05 114.38 116.00 1wra h ARG 93 Ca 0.04 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1wra h ARG 93 Cb 1.00 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1wra h ARG 93 CO 0.10 0.70 0.33 -0.09 -1.51 0.00 0.00 179.97 179.50 1wra h ARG 94 N 0.61 0.72 -0.63 0.20 9.65 -1.07 -0.05 114.38 123.81 1wra h ARG 94 Ca 0.15 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1wra h ARG 94 Cb 0.28 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1wra h ARG 94 CO -0.00 0.51 0.39 -0.07 2.80 0.00 0.00 179.97 183.59 1wra h LEU 95 N 0.72 0.74 -0.04 3.80 3.38 -1.20 -1.73 115.31 120.98 1wra h LEU 95 Ca 0.19 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1wra h LEU 95 Cb -0.04 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.54 1wra h LEU 95 CO -0.04 0.56 -0.72 0.50 0.09 0.00 0.00 178.44 178.83 1wra h LYS 96 N 0.86 0.56 0.00 1.13 3.64 -1.04 -2.13 116.57 119.58 1wra h LYS 96 Ca 0.23 -0.55 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1wra h LYS 96 Cb -0.05 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1wra h LYS 96 CO -0.04 1.17 -0.01 1.49 -2.27 0.00 0.00 179.45 179.78 1wra h GLU 97 N 0.15 0.00 -0.06 1.90 4.81 -0.73 -1.50 114.58 119.14 1wra h GLU 97 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1wra h GLU 97 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1wra h GLU 97 CO 0.14 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 179.71 1wra n LEU 98 N -3.55 2.15 -3.99 1.64 4.77 -0.68 -4.96 117.00 112.38 1wra n LEU 98 Ca -0.03 -0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 54.88 1wra n LEU 98 Cb 0.10 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1wra n LEU 98 CO 0.25 0.38 0.07 -1.20 -1.33 0.00 0.00 177.39 175.56 1wra n SER 99 N 0.67 -4.34 -4.72 -1.43 7.64 -0.57 -4.92 113.62 105.96 1wra n SER 99 Ca 0.17 -0.84 -0.42 0.00 1.01 0.00 0.00 58.87 58.79 1wra n SER 99 Cb 0.45 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 60.01 1wra n SER 99 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wra n VAL 100 N -4.61 0.11 0.20 0.44 0.31 -0.82 -4.88 118.33 109.08 1wra n VAL 100 Ca 0.04 -0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.42 1wra n VAL 100 Cb 0.52 -1.94 -0.11 0.00 -0.91 0.00 0.00 33.84 31.40 1wra n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wra n GLN 101 N 3.73 0.92 -3.64 5.55 1.13 -1.26 -4.93 117.38 118.89 1wra n GLN 101 Ca 0.15 -0.10 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 1wra n GLN 101 Cb 0.34 -1.33 -0.07 0.00 0.11 0.00 0.00 30.24 29.30 1wra n GLN 101 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1wra s LYS 102 N -2.89 0.50 -0.17 -1.09 2.20 -1.26 -4.50 119.74 112.52 1wra s LYS 102 Ca -0.02 0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 56.17 1wra s LYS 102 Cb 0.10 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 1wra s LYS 102 CO 0.64 -0.06 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.99 1wra s LEU 103 N 0.30 2.94 0.19 5.43 1.43 -0.40 -4.41 118.68 124.16 1wra s LEU 103 Ca 0.02 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1wra s LEU 103 Cb -0.05 -1.71 0.11 0.00 0.03 0.00 0.00 46.19 44.57 1wra s LEU 103 CO -0.07 0.09 1.60 0.44 0.23 0.00 0.00 176.35 178.65 1wra h ASP 104 N 7.25 0.90 -5.13 2.29 5.19 -1.48 -2.41 116.42 123.03 1wra h ASP 104 Ca -0.33 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 55.69 1wra h ASP 104 Cb 1.19 -0.25 -0.12 0.00 0.18 0.00 0.00 39.33 40.33 1wra h ASP 104 CO 0.59 1.07 -0.15 0.72 -3.12 0.00 0.00 179.24 178.36 1wra s PHE 105 N -4.68 0.00 -0.16 4.55 -0.71 -1.26 -2.81 117.98 112.92 1wra s PHE 105 Ca -0.10 -0.36 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 1wra s PHE 105 Cb 0.13 0.17 0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1wra s PHE 105 CO 0.85 -0.73 -0.14 0.42 -1.34 0.00 0.00 175.22 174.28 1wra s ILE 106 N -3.87 1.66 -0.26 -4.49 1.01 -0.85 -1.86 121.20 112.55 1wra s ILE 106 Ca 0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1wra s ILE 106 Cb 0.02 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1wra s ILE 106 CO -0.07 0.42 0.18 -0.22 0.00 0.00 0.00 174.94 175.26 1wra s LEU 107 N 1.44 4.08 -0.25 2.97 0.20 0.24 -1.43 118.68 125.93 1wra s LEU 107 Ca 0.04 0.08 -0.10 0.00 0.69 0.00 0.00 54.13 54.84 1wra s LEU 107 Cb -0.13 -2.13 -0.05 0.00 -0.43 0.00 0.00 46.19 43.45 1wra s LEU 107 CO -0.11 0.01 0.16 -0.69 -0.29 0.00 0.00 176.35 175.43 1wra s VAL 108 N 1.36 5.22 0.14 1.68 1.01 -0.45 -0.52 120.40 128.84 1wra s VAL 108 Ca 0.08 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1wra s VAL 108 Cb -0.15 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 1wra s VAL 108 CO 0.07 0.32 1.33 0.71 0.00 0.00 0.00 175.10 177.53 1wra h THR 109 N 5.17 1.42 -1.99 3.92 1.35 -1.87 -3.42 112.91 117.48 1wra h THR 109 Ca -0.37 -2.45 0.27 0.00 -0.55 0.00 0.00 66.41 63.31 1wra h THR 109 Cb 1.18 2.40 -0.08 0.00 -1.73 0.00 0.00 68.15 69.92 1wra h THR 109 CO 0.62 0.73 0.74 -1.38 -0.25 0.00 0.00 175.52 175.97 1wra s HIS 110 N -3.28 -0.02 -2.28 4.73 -3.43 -1.26 -0.96 115.29 108.79 1wra s HIS 110 Ca -0.05 -0.19 0.28 0.00 -0.80 0.00 0.00 55.06 54.30 1wra s HIS 110 Cb 0.09 0.60 1.06 0.00 -1.43 0.00 0.00 32.58 32.90 1wra s HIS 110 CO 0.86 -0.51 1.75 0.25 -2.00 0.00 0.00 174.74 175.09 1wra n THR 111 N -0.63 0.00 -1.83 -5.38 -2.24 -1.26 -4.28 114.28 98.66 1wra n THR 111 Ca -0.04 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 1wra n THR 111 Cb 0.61 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 1wra n THR 111 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wra s HIS 112 N -2.12 2.70 0.45 4.78 3.76 -1.26 -4.47 115.29 119.13 1wra s HIS 112 Ca 0.35 1.05 0.17 0.00 -0.15 0.00 0.00 55.06 56.48 1wra s HIS 112 Cb 0.21 -4.00 1.11 0.00 1.11 0.00 0.00 32.58 31.01 1wra s HIS 112 CO 0.38 -3.09 1.97 0.66 -0.85 0.00 0.00 174.74 173.81 1wra h SER 113 N 3.73 0.29 0.00 1.40 4.64 -1.91 0.35 113.55 122.05 1wra h SER 113 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1wra h SER 113 Cb 1.23 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wra h SER 113 CO 0.70 0.17 0.00 -0.90 -0.87 0.00 0.00 176.83 175.93 1wra n ASP 114 N -4.46 0.00 0.00 4.97 5.75 -1.26 -0.98 116.55 120.57 1wra n ASP 114 Ca 0.10 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1wra n ASP 114 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1wra n ASP 114 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1wra n HIS 115 N -0.68 0.00 1.11 2.11 8.25 0.02 -1.81 115.22 124.22 1wra n HIS 115 Ca 0.07 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1wra n HIS 115 Cb 0.03 0.16 0.34 0.00 1.12 0.00 0.00 29.99 31.64 1wra n HIS 115 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1wra n ILE 116 N -2.84 0.00 -0.20 1.59 3.06 -0.65 -0.72 119.36 119.59 1wra n ILE 116 Ca 0.00 -0.05 0.01 0.00 -2.50 0.00 0.00 62.75 60.22 1wra n ILE 116 Cb 0.34 0.23 0.11 0.00 0.54 0.00 0.00 39.64 40.87 1wra n ILE 116 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1wra h GLY 117 N 4.97 0.76 -2.16 4.50 0.00 -0.79 -2.07 103.07 108.28 1wra h GLY 117 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1wra h GLY 117 CO 0.00 -0.15 0.00 0.70 0.00 0.00 0.00 176.54 177.09 1wra n ASN 118 N -5.18 3.23 0.02 0.19 3.02 -0.96 -4.53 115.26 111.05 1wra n ASN 118 Ca 0.09 -2.21 -0.12 0.00 -0.03 0.00 0.00 54.58 52.31 1wra n ASN 118 Cb 0.35 -0.44 -0.08 0.00 -0.61 0.00 0.00 39.78 39.00 1wra n ASN 118 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1wra h VAL 119 N 2.90 1.16 -0.35 2.41 2.07 -1.69 -0.94 116.25 121.80 1wra h VAL 119 Ca 0.00 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1wra h VAL 119 Cb 0.96 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1wra h VAL 119 CO 0.11 0.13 -0.06 -2.24 0.02 0.00 0.00 177.57 175.54 1wra h ASP 120 N -0.23 0.55 -0.82 0.57 2.03 -1.81 0.46 116.42 117.18 1wra h ASP 120 Ca -0.00 -0.13 -0.03 0.00 -0.73 0.00 0.00 57.03 56.14 1wra h ASP 120 Cb 0.23 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 38.54 1wra h ASP 120 CO 0.00 0.66 0.39 -0.33 -1.03 0.00 0.00 179.24 178.94 1wra h GLU 121 N 0.54 1.19 -0.25 4.15 3.07 -1.83 -2.24 114.58 119.21 1wra h GLU 121 Ca 0.11 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 1wra h GLU 121 Cb 0.43 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1wra h GLU 121 CO 0.02 0.91 -0.16 -0.07 -1.40 0.00 0.00 179.01 178.31 1wra h LEU 122 N 1.18 0.57 -2.42 1.33 3.38 -0.60 -2.95 115.31 115.79 1wra h LEU 122 Ca 0.28 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wra h LEU 122 Cb 0.12 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1wra h LEU 122 CO -0.04 0.88 -0.02 -0.07 0.09 0.00 0.00 178.44 179.29 1wra h LEU 123 N 0.26 0.00 -0.06 1.67 3.38 -0.78 -0.25 115.31 119.54 1wra h LEU 123 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wra h LEU 123 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1wra h LEU 123 CO 0.04 0.02 -0.41 -1.20 0.09 0.00 0.00 178.44 176.99 1wra n SER 124 N -3.74 0.50 -0.00 -0.43 7.64 -0.86 -4.46 113.62 112.28 1wra n SER 124 Ca -0.03 -0.25 -0.00 0.00 1.01 0.00 0.00 58.87 59.60 1wra n SER 124 Cb 0.11 0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1wra n SER 124 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1wra n THR 125 N -1.39 0.02 -4.43 0.44 -1.04 -0.71 -5.05 114.28 102.12 1wra n THR 125 Ca 0.07 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.74 1wra n THR 125 Cb 0.33 -0.79 -0.10 0.00 -1.82 0.00 0.00 70.33 67.96 1wra n THR 125 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wra s TYR 126 N -2.01 3.03 0.06 -1.42 1.51 -0.19 -5.11 117.35 113.23 1wra s TYR 126 Ca -0.00 0.08 -0.38 0.00 -1.01 0.00 0.00 57.07 55.76 1wra s TYR 126 Cb 0.00 -1.70 -0.18 0.00 -0.11 0.00 0.00 41.96 39.97 1wra s TYR 126 CO 0.01 0.41 1.28 -2.30 -1.11 0.00 0.00 175.55 173.84 1wra n PRO 127 N 1.84 0.86 -3.90 -1.71 -0.02 -1.26 -4.53 135.00 126.28 1wra n PRO 127 Ca -0.17 0.31 -0.18 0.00 -2.02 0.00 0.00 63.50 61.44 1wra n PRO 127 Cb 0.53 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.93 1wra n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wra s VAL 128 N 0.38 0.20 0.00 -1.45 1.01 -1.26 -1.28 120.40 118.01 1wra s VAL 128 Ca 0.86 0.11 0.11 0.00 0.00 0.00 0.00 61.98 63.06 1wra s VAL 128 Cb -1.03 -0.32 -0.18 0.00 0.00 0.00 0.00 36.38 34.85 1wra s VAL 128 CO 0.49 0.17 1.00 0.44 0.00 0.00 0.00 175.10 177.20 1wra h ASP 129 N 7.50 0.00 -5.08 3.32 3.45 -1.47 -3.44 116.42 120.70 1wra h ASP 129 Ca -0.36 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.11 1wra h ASP 129 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1wra h ASP 129 CO 0.41 0.90 0.34 0.00 -1.57 0.00 0.00 179.24 179.33 1wra s ARG 130 N -2.71 2.11 -0.06 3.56 1.70 -1.12 -4.13 118.95 118.29 1wra s ARG 130 Ca -0.01 -1.37 0.04 0.00 -0.47 0.00 0.00 55.73 53.92 1wra s ARG 130 Cb 0.09 0.58 -0.00 0.00 -0.57 0.00 0.00 34.95 35.05 1wra s ARG 130 CO 0.81 -0.99 -0.19 0.08 -1.08 0.00 0.00 175.30 173.94 1wra s VAL 131 N -2.13 1.60 -0.25 4.99 1.01 -0.24 -2.00 120.40 123.38 1wra s VAL 131 Ca 0.17 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1wra s VAL 131 Cb -0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1wra s VAL 131 CO 0.11 0.46 0.31 -0.31 0.00 0.00 0.00 175.10 175.67 1wra s TYR 132 N 0.11 3.28 -0.26 5.22 2.02 -0.51 -0.32 117.35 126.88 1wra s TYR 132 Ca -0.07 0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1wra s TYR 132 Cb -0.13 -2.48 0.14 0.00 -0.40 0.00 0.00 41.96 39.08 1wra s TYR 132 CO 0.04 -0.13 0.33 -1.17 -1.57 0.00 0.00 175.55 173.05 1wra s LEU 133 N 1.71 -0.46 0.87 -1.29 0.20 -0.79 -1.35 118.68 117.57 1wra s LEU 133 Ca 0.13 -0.32 -0.10 0.00 0.69 0.00 0.00 54.13 54.53 1wra s LEU 133 Cb -0.15 0.80 0.12 0.00 -0.43 0.00 0.00 46.19 46.52 1wra s LEU 133 CO 0.09 -0.35 1.13 -0.54 -0.29 0.00 0.00 176.35 176.39 1wra s LYS 134 N 2.45 1.41 0.44 1.98 1.02 -1.26 -4.01 119.74 121.78 1wra s LYS 134 Ca 0.10 1.44 -0.24 0.00 0.02 0.00 0.00 55.97 57.30 1wra s LYS 134 Cb -0.14 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.31 1wra s LYS 134 CO -0.25 -2.32 1.19 0.15 -0.92 0.00 0.00 175.35 173.20 1wra s LYS 135 N -4.71 3.81 0.01 1.68 1.02 -1.26 -5.02 119.74 115.28 1wra s LYS 135 Ca 0.65 1.86 0.02 0.00 0.02 0.00 0.00 55.97 58.52 1wra s LYS 135 Cb -0.21 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1wra s LYS 135 CO 0.57 -0.53 -0.06 -0.47 -0.92 0.00 0.00 175.35 173.94 1wra s TYR 136 N -1.46 0.50 -0.02 3.18 6.14 -1.26 -5.05 117.35 119.37 1wra s TYR 136 Ca 0.62 -0.24 -0.08 0.00 0.64 0.00 0.00 57.07 58.01 1wra s TYR 136 Cb -0.31 -0.31 0.01 0.00 0.42 0.00 0.00 41.96 41.77 1wra s TYR 136 CO 0.38 -0.04 0.17 -1.54 0.64 0.00 0.00 175.55 175.16 1wra s SER 137 N -0.67 -0.07 0.42 4.32 1.04 -1.26 -5.03 113.70 112.45 1wra s SER 137 Ca -0.03 0.02 0.14 0.00 0.48 0.00 0.00 55.95 56.56 1wra s SER 137 Cb -0.05 0.28 1.01 0.00 0.10 0.00 0.00 66.02 67.36 1wra s SER 137 CO -0.00 -0.28 1.95 0.44 0.98 0.00 0.00 173.24 176.33 1wra h ASP 138 N 4.76 0.41 0.50 7.02 3.32 -1.99 -2.16 116.42 128.29 1wra h ASP 138 Ca -0.29 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1wra h ASP 138 Cb 1.19 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1wra h ASP 138 CO 0.40 0.23 -0.07 0.77 -1.72 0.00 0.00 179.24 178.85 1wra h SER 139 N 0.45 0.00 0.90 6.45 4.64 -2.00 -2.17 113.55 121.82 1wra h SER 139 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1wra h SER 139 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1wra h SER 139 CO -0.10 0.07 -0.26 -2.11 -0.87 0.00 0.00 176.83 173.56 1wra n ARG 140 N -3.37 0.09 -3.18 4.77 -4.01 -0.81 -4.74 116.66 105.41 1wra n ARG 140 Ca -0.01 0.05 -0.40 0.00 -1.04 0.00 0.00 57.85 56.45 1wra n ARG 140 Cb 0.24 -1.58 -0.06 0.00 -3.04 0.00 0.00 32.46 28.01 1wra n ARG 140 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1wra s ILE 141 N -3.04 5.06 -1.69 8.89 -1.09 -0.82 -0.89 121.20 127.62 1wra s ILE 141 Ca 0.11 1.07 0.29 0.00 -2.23 0.00 0.00 60.65 59.90 1wra s ILE 141 Cb 0.17 -3.89 0.54 0.00 -1.58 0.00 0.00 42.46 37.69 1wra s ILE 141 CO 0.62 0.14 1.95 0.35 -1.23 0.00 0.00 174.94 176.77 1wra n THR 142 N 4.63 0.00 -4.03 2.92 -2.24 -0.63 -4.67 114.28 110.25 1wra n THR 142 Ca -0.03 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1wra n THR 142 Cb 0.50 -0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.36 1wra n THR 142 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wra s ASN 143 N -2.41 3.84 0.53 3.42 0.01 -1.26 -4.99 114.94 114.07 1wra s ASN 143 Ca 0.32 -1.10 0.20 0.00 -0.71 0.00 0.00 52.86 51.57 1wra s ASN 143 Cb 0.20 -1.38 1.34 0.00 0.41 0.00 0.00 41.25 41.82 1wra s ASN 143 CO 0.45 -0.16 2.09 0.28 -1.51 0.00 0.00 177.10 178.25 1wra h SER 144 N 7.89 0.00 -0.00 -1.22 0.02 -1.97 -1.11 113.55 117.16 1wra h SER 144 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1wra h SER 144 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1wra h SER 144 CO 0.48 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.55 1wra n GLU 145 N -4.45 1.02 -0.58 3.45 4.71 -1.26 -3.01 120.64 120.52 1wra n GLU 145 Ca 0.02 -0.03 0.06 0.00 -0.01 0.00 0.00 57.16 57.21 1wra n GLU 145 Cb 0.31 -1.26 0.19 0.00 -1.01 0.00 0.00 31.44 29.67 1wra n GLU 145 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wra n ARG 146 N -0.73 1.42 -0.03 3.49 1.74 -0.42 -4.68 116.66 117.46 1wra n ARG 146 Ca 0.12 -3.09 -0.12 0.00 -0.77 0.00 0.00 57.85 53.99 1wra n ARG 146 Cb 0.06 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.87 1wra n ARG 146 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wra n LEU 147 N -1.05 1.22 0.00 0.55 4.77 -1.16 -4.79 117.00 116.54 1wra n LEU 147 Ca 0.18 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1wra n LEU 147 Cb 0.71 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1wra n LEU 147 CO -0.03 0.53 0.00 0.79 -1.33 0.00 0.00 177.39 177.35 1wra n TRP 148 N -3.10 0.00 0.81 -1.77 8.01 -1.26 -1.02 117.44 119.10 1wra n TRP 148 Ca -0.24 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.04 1wra n TRP 148 Cb 1.07 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 30.39 1wra n TRP 148 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1wra n ASP 149 N 2.00 2.02 0.02 -0.99 2.03 -1.26 -4.77 116.55 115.60 1wra n ASP 149 Ca 0.00 -1.51 -0.11 0.00 0.52 0.00 0.00 54.79 53.69 1wra n ASP 149 Cb 0.00 0.33 -0.06 0.00 -0.72 0.00 0.00 41.12 40.67 1wra n ASP 149 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1wra h ASN 150 N 2.55 -0.09 -0.54 1.67 2.35 -1.30 -2.41 115.58 117.82 1wra h ASN 150 Ca 0.00 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1wra h ASN 150 Cb 0.67 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1wra h ASN 150 CO 0.00 -0.04 -0.05 0.25 -1.65 0.00 0.00 177.43 175.94 1wra h LEU 151 N -0.03 1.00 -0.35 1.61 5.85 -1.86 -1.62 115.31 119.91 1wra h LEU 151 Ca 0.03 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1wra h LEU 151 Cb 0.07 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1wra h LEU 151 CO -0.06 1.08 0.14 0.22 -0.34 0.00 0.00 178.44 179.47 1wra h TYR 152 N 0.91 0.25 -0.34 1.25 5.03 -1.84 -0.72 116.97 121.50 1wra h TYR 152 Ca 0.15 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 1wra h TYR 152 Cb 0.60 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1wra h TYR 152 CO 0.04 0.11 0.14 0.78 -1.32 0.00 0.00 178.16 177.91 1wra h GLY 153 N 0.29 0.54 0.20 1.82 0.00 -1.14 -0.94 103.07 103.84 1wra h GLY 153 Ca 0.16 -0.29 0.12 0.00 0.00 0.00 0.00 47.33 47.32 1wra h GLY 153 CO -0.15 0.27 0.22 -1.82 0.00 0.00 0.00 176.54 175.06 1wra h TYR 154 N 0.41 0.37 0.03 5.60 3.20 -0.95 -2.51 116.97 123.12 1wra h TYR 154 Ca 0.11 0.04 -0.31 0.00 3.14 0.00 0.00 58.73 61.71 1wra h TYR 154 Cb 0.17 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1wra h TYR 154 CO -0.01 0.03 -1.80 -0.25 -1.64 0.00 0.00 178.16 174.49 1wra n ASP 155 N -5.05 1.12 -0.32 -2.11 8.00 -0.31 -2.08 116.55 115.81 1wra n ASP 155 Ca 0.11 0.35 0.04 0.00 0.71 0.00 0.00 54.79 56.01 1wra n ASP 155 Cb 0.35 -0.20 0.24 0.00 -0.02 0.00 0.00 41.12 41.49 1wra n ASP 155 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1wra h LYS 156 N 0.02 1.00 -0.02 -1.24 1.79 -0.99 0.24 116.57 117.37 1wra h LYS 156 Ca -0.33 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1wra h LYS 156 Cb 2.03 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 32.45 1wra h LYS 156 CO 0.08 0.66 -0.00 0.28 -1.08 0.00 0.00 179.45 179.39 1wra h VAL 157 N 1.03 1.29 -0.33 0.50 2.07 -0.97 -2.09 116.25 117.75 1wra h VAL 157 Ca 0.41 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1wra h VAL 157 Cb 0.25 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1wra h VAL 157 CO -0.16 0.23 0.08 -0.07 0.02 0.00 0.00 177.57 177.67 1wra h LEU 158 N -0.32 0.50 -0.42 2.57 3.38 -1.03 -0.63 115.31 119.36 1wra h LEU 158 Ca 0.01 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1wra h LEU 158 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wra h LEU 158 CO 0.00 0.61 -0.13 1.56 0.09 0.00 0.00 178.44 180.57 1wra h GLN 159 N 0.38 0.82 -0.20 1.13 4.20 -1.04 -2.06 115.11 118.33 1wra h GLN 159 Ca 0.10 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.30 1wra h GLN 159 Cb 0.30 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wra h GLN 159 CO 0.00 0.95 -0.62 1.15 -0.67 0.00 0.00 178.83 179.64 1wra h THR 160 N 0.64 1.30 -0.68 -0.54 2.02 -1.30 -1.96 112.91 112.39 1wra h THR 160 Ca 0.10 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.38 1wra h THR 160 Cb 0.66 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 1wra h THR 160 CO 0.05 0.59 0.22 0.00 0.37 0.00 0.00 175.52 176.75 1wra h ALA 161 N 0.77 1.11 -0.35 6.16 0.00 -1.08 -1.96 119.26 123.91 1wra h ALA 161 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1wra h ALA 161 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1wra h ALA 161 CO 0.13 0.62 0.15 1.15 0.00 0.00 0.00 179.25 181.29 1wra h THR 162 N 1.00 1.18 -0.09 0.00 2.02 -1.20 0.25 112.91 116.07 1wra h THR 162 Ca 0.22 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1wra h THR 162 Cb 0.27 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1wra h THR 162 CO -0.01 0.19 0.05 -0.33 0.37 0.00 0.00 175.52 175.79 1wra h GLU 163 N 0.42 0.12 -0.02 6.66 5.08 -1.10 -2.93 114.58 122.81 1wra h GLU 163 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1wra h GLU 163 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1wra h GLU 163 CO -0.01 0.09 -0.00 0.25 -1.00 0.00 0.00 179.01 178.34 1wra n THR 164 N -4.51 0.00 -1.30 1.13 -2.24 -0.76 -4.98 114.28 101.62 1wra n THR 164 Ca -0.02 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1wra n THR 164 Cb 0.09 1.41 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 1wra n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wra n GLY 165 N 1.11 1.16 3.68 3.38 0.00 -0.10 -4.98 105.19 109.44 1wra n GLY 165 Ca 0.12 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1wra n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wra s VAL 166 N -2.32 4.85 0.20 1.61 1.01 -0.18 -4.99 120.40 120.57 1wra s VAL 166 Ca 0.00 1.80 -0.31 0.00 0.00 0.00 0.00 61.98 63.47 1wra s VAL 166 Cb 0.00 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 1wra s VAL 166 CO 0.00 0.03 1.45 -0.44 0.00 0.00 0.00 175.10 176.14 1wra s SER 167 N 1.11 6.69 -0.22 3.32 0.01 -1.26 -4.56 113.70 118.79 1wra s SER 167 Ca 0.42 2.57 -0.02 0.00 1.31 0.00 0.00 55.95 60.23 1wra s SER 167 Cb -0.17 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.46 1wra s SER 167 CO 0.15 -0.71 -0.08 -0.69 0.41 0.00 0.00 173.24 172.32 1wra s VAL 168 N 0.49 2.91 -0.61 3.43 1.01 -1.26 -1.08 120.40 125.28 1wra s VAL 168 Ca 0.63 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1wra s VAL 168 Cb -0.41 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.67 1wra s VAL 168 CO 0.37 0.36 0.88 -0.63 0.00 0.00 0.00 175.10 176.09 1wra s ILE 169 N 1.38 4.47 -0.09 2.22 -1.09 0.56 -4.84 121.20 123.82 1wra s ILE 169 Ca 0.04 -0.31 0.14 0.00 -2.23 0.00 0.00 60.65 58.29 1wra s ILE 169 Cb -0.15 -4.57 -0.21 0.00 -1.58 0.00 0.00 42.46 35.95 1wra s ILE 169 CO -0.06 -1.25 0.19 0.00 -1.23 0.00 0.00 174.94 172.59 1wra n GLN 170 N 7.27 1.07 -3.55 2.79 6.02 -1.26 -1.89 117.38 127.84 1wra n GLN 170 Ca -0.04 -0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.49 1wra n GLN 170 Cb 0.45 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 1wra n GLN 170 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wra s ASN 171 N -4.32 6.36 -0.40 1.08 0.01 -1.26 -4.26 114.94 112.14 1wra s ASN 171 Ca -0.06 -3.61 -0.27 0.00 -0.71 0.00 0.00 52.86 48.20 1wra s ASN 171 Cb 0.07 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.75 1wra s ASN 171 CO 0.62 -0.23 1.01 -0.63 -1.51 0.00 0.00 177.10 176.36 1wra s ILE 172 N -1.21 4.46 0.93 0.60 1.01 -1.26 -5.02 121.20 120.71 1wra s ILE 172 Ca 0.27 1.27 -0.13 0.00 0.00 0.00 0.00 60.65 62.06 1wra s ILE 172 Cb -0.09 -4.43 0.20 0.00 0.01 0.00 0.00 42.46 38.15 1wra s ILE 172 CO -0.11 -0.68 1.27 0.42 0.00 0.00 0.00 174.94 175.85 1wra s THR 173 N 3.80 2.01 -2.00 2.92 -4.23 -1.26 -4.73 115.64 112.15 1wra s THR 173 Ca 0.42 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.82 1wra s THR 173 Cb -0.11 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.94 1wra s THR 173 CO 0.22 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.95 1wra n GLN 174 N -3.63 0.51 0.00 3.99 10.64 -1.26 -1.64 117.38 126.00 1wra n GLN 174 Ca 0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 1wra n GLN 174 Cb 0.60 -1.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.90 1wra n GLN 174 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wra n GLY 175 N 0.02 1.54 1.35 2.61 0.00 -1.26 -4.47 105.19 104.98 1wra n GLY 175 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wra n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wra n ASP 176 N 0.00 0.00 -0.36 1.61 8.00 -1.25 -3.41 116.55 121.14 1wra n ASP 176 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1wra n ASP 176 Cb 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.53 1wra n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wra n ALA 177 N 0.00 2.85 -2.93 2.24 0.00 -0.65 -4.55 120.51 117.47 1wra n ALA 177 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 1wra n ALA 177 Cb 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 1wra n ALA 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wra s HIS 178 N -2.27 2.78 0.04 0.00 5.65 -1.22 0.02 115.29 120.29 1wra s HIS 178 Ca 0.30 -0.52 -0.27 0.00 0.25 0.00 0.00 55.06 54.81 1wra s HIS 178 Cb 0.20 -1.79 0.10 0.00 -1.18 0.00 0.00 32.58 29.91 1wra s HIS 178 CO 0.44 -0.11 1.21 -0.59 -0.65 0.00 0.00 174.74 175.03 1wra s PHE 179 N 0.08 0.00 -0.04 3.88 -0.71 -0.42 -4.74 117.98 116.03 1wra s PHE 179 Ca -0.06 -0.19 0.03 0.00 -1.04 0.00 0.00 56.93 55.67 1wra s PHE 179 Cb -0.15 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.26 1wra s PHE 179 CO 0.04 -0.45 -0.11 -0.65 -1.34 0.00 0.00 175.22 172.71 1wra s GLN 180 N -2.27 1.34 -0.27 1.99 -1.52 -1.26 -0.50 119.66 117.16 1wra s GLN 180 Ca 0.22 -0.39 -0.04 0.00 -1.95 0.00 0.00 55.36 53.20 1wra s GLN 180 Cb 0.01 -1.18 0.10 0.00 -0.22 0.00 0.00 33.01 31.71 1wra s GLN 180 CO -0.00 0.10 0.14 0.12 -0.25 0.00 0.00 175.29 175.40 1wra s PHE 181 N 0.35 0.23 0.00 0.91 5.36 0.91 -4.97 117.98 120.77 1wra s PHE 181 Ca -0.07 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1wra s PHE 181 Cb -0.12 -0.83 0.00 0.00 -0.34 0.00 0.00 43.02 41.73 1wra s PHE 181 CO 0.02 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.39 1wra n GLY 182 N 5.26 3.52 0.00 13.12 0.00 -1.26 -0.16 105.19 125.67 1wra n GLY 182 Ca -0.06 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1wra n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wra n ASP 183 N 4.80 0.00 -4.72 1.61 8.00 -1.26 -4.88 116.55 120.10 1wra n ASP 183 Ca 0.00 0.35 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 1wra n ASP 183 Cb 0.00 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 1wra n ASP 183 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wra s MET 184 N -2.89 4.44 -0.22 -1.24 -1.94 0.77 -4.74 119.30 113.47 1wra s MET 184 Ca 0.15 0.89 -0.16 0.00 -1.71 0.00 0.00 55.69 54.85 1wra s MET 184 Cb 0.16 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 1wra s MET 184 CO 0.43 0.11 0.43 0.34 -0.01 0.00 0.00 175.02 176.33 1wra s ASP 185 N 0.65 6.43 -0.10 3.03 2.15 -0.02 -0.06 116.67 128.75 1wra s ASP 185 Ca 0.37 0.51 0.04 0.00 0.43 0.00 0.00 52.55 53.89 1wra s ASP 185 Cb -0.18 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1wra s ASP 185 CO 0.19 -0.15 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.19 1wra s ILE 186 N 1.67 1.91 -0.11 4.11 1.01 0.35 -0.69 121.20 129.45 1wra s ILE 186 Ca 0.20 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1wra s ILE 186 Cb -0.15 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1wra s ILE 186 CO 0.09 0.53 -0.20 -1.58 0.00 0.00 0.00 174.94 173.77 1wra s GLN 187 N 0.45 2.68 0.15 2.79 2.00 -0.48 -1.30 119.66 125.96 1wra s GLN 187 Ca -0.17 -0.74 0.00 0.00 -2.00 0.00 0.00 55.36 52.45 1wra s GLN 187 Cb -0.17 -2.14 -0.04 0.00 0.80 0.00 0.00 33.01 31.46 1wra s GLN 187 CO 0.07 0.05 0.32 -0.51 -0.50 0.00 0.00 175.29 174.72 1wra s LEU 188 N 0.68 4.29 0.12 3.68 1.43 0.10 -0.91 118.68 128.07 1wra s LEU 188 Ca -0.12 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1wra s LEU 188 Cb -0.16 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1wra s LEU 188 CO 0.03 0.03 -0.01 -0.31 0.23 0.00 0.00 176.35 176.32 1wra s TYR 189 N -1.75 0.91 -1.51 0.29 2.02 -0.62 -4.88 117.35 111.81 1wra s TYR 189 Ca 0.37 -1.06 -0.09 0.00 -0.37 0.00 0.00 57.07 55.91 1wra s TYR 189 Cb -0.11 -0.54 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 1wra s TYR 189 CO 0.28 -0.31 0.74 -1.71 -1.57 0.00 0.00 175.55 172.99 1wra n ASN 190 N -0.09 -2.70 -0.00 2.29 5.15 -1.26 -1.89 115.26 116.75 1wra n ASN 190 Ca -0.09 -0.91 0.10 0.00 -0.60 0.00 0.00 54.58 53.08 1wra n ASN 190 Cb 0.62 -3.40 -0.12 0.00 -0.53 0.00 0.00 39.78 36.35 1wra n ASN 190 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wra n TYR 191 N -4.47 0.00 -2.86 1.20 0.18 -1.26 -4.43 117.16 105.51 1wra n TYR 191 Ca -0.09 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.35 1wra n TYR 191 Cb 0.58 -0.02 -0.07 0.00 -0.38 0.00 0.00 39.34 39.45 1wra n TYR 191 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1wra s GLU 192 N -3.00 4.30 -0.46 -3.48 2.02 -1.26 -4.52 118.70 112.30 1wra s GLU 192 Ca 0.07 1.11 -0.25 0.00 0.02 0.00 0.00 54.97 55.93 1wra s GLU 192 Cb 0.16 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 32.00 1wra s GLU 192 CO 0.86 0.10 0.88 -0.80 0.02 0.00 0.00 175.26 176.32 1wra s ASN 193 N -2.01 6.46 -0.08 -0.19 0.01 -1.26 -5.02 114.94 112.85 1wra s ASN 193 Ca 0.57 0.01 -0.18 0.00 -0.71 0.00 0.00 52.86 52.55 1wra s ASN 193 Cb -0.12 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1wra s ASN 193 CO 0.17 -1.01 0.49 -1.61 -1.51 0.00 0.00 177.10 173.63 1wra s GLU 194 N 3.60 4.28 0.14 -0.60 2.02 -1.26 -5.03 118.70 121.86 1wra s GLU 194 Ca 0.34 0.50 0.09 0.00 0.02 0.00 0.00 54.97 55.92 1wra s GLU 194 Cb -0.11 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1wra s GLU 194 CO 0.25 0.27 -0.21 0.95 0.02 0.00 0.00 175.26 176.54 1wra s THR 195 N 0.24 1.93 0.73 3.63 -4.23 -1.26 -1.03 115.64 115.65 1wra s THR 195 Ca 0.27 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 58.89 1wra s THR 195 Cb -0.16 -1.81 0.16 0.00 1.34 0.00 0.00 72.50 72.03 1wra s THR 195 CO 0.12 -0.14 1.00 -0.90 -0.54 0.00 0.00 174.62 174.16 1wra n ASP 196 N 0.64 0.39 -4.24 3.99 5.68 -0.01 -4.74 116.55 118.25 1wra n ASP 196 Ca -0.16 -1.55 -0.43 0.00 -0.50 0.00 0.00 54.79 52.15 1wra n ASP 196 Cb 0.55 -0.74 -0.07 0.00 -1.14 0.00 0.00 41.12 39.72 1wra n ASP 196 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1wra s SER 197 N -4.76 5.88 -0.00 -1.12 1.04 -1.26 -0.10 113.70 113.38 1wra s SER 197 Ca 0.59 -1.88 -0.15 0.00 0.48 0.00 0.00 55.95 54.98 1wra s SER 197 Cb -0.02 -2.08 -0.34 0.00 0.10 0.00 0.00 66.02 63.68 1wra s SER 197 CO 0.41 -0.75 0.88 0.77 0.98 0.00 0.00 173.24 175.53 1wra h SER 198 N 8.59 0.74 -1.92 7.02 4.64 -2.02 -3.51 113.55 127.09 1wra h SER 198 Ca -0.24 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 1wra h SER 198 Cb 1.08 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1wra h SER 198 CO 0.92 1.71 0.00 0.61 -0.87 0.00 0.00 176.83 179.20 1wra n GLY 199 N 1.76 0.61 0.18 -0.77 0.00 0.86 -5.04 105.19 102.78 1wra n GLY 199 Ca -0.19 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1wra n GLY 199 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wra n GLU 200 N -0.84 0.00 -1.61 1.61 -0.58 -1.26 -4.81 120.64 113.16 1wra n GLU 200 Ca 0.00 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.26 1wra n GLU 200 Cb 0.32 -0.05 -0.04 0.00 -0.57 0.00 0.00 31.44 31.11 1wra n GLU 200 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wra n LEU 201 N 1.51 2.01 -4.67 -4.62 7.99 -1.26 -0.83 117.00 117.13 1wra n LEU 201 Ca 0.00 1.14 -0.40 0.00 -0.01 0.00 0.00 56.01 56.74 1wra n LEU 201 Cb 0.00 -1.28 0.03 0.00 -0.11 0.00 0.00 43.42 42.06 1wra n LEU 201 CO 0.00 -1.03 0.76 0.29 -1.51 0.00 0.00 177.39 175.89 1wra n LYS 202 N 1.94 1.51 -2.41 3.23 5.02 -0.20 -4.70 118.16 122.55 1wra n LYS 202 Ca 0.14 0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 56.57 1wra n LYS 202 Cb 0.26 -2.30 -0.03 0.00 -0.02 0.00 0.00 35.03 32.94 1wra n LYS 202 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wra s LYS 203 N -2.43 4.48 0.18 1.97 -0.14 -1.26 -4.88 119.74 117.66 1wra s LYS 203 Ca 0.67 1.82 0.03 0.00 -1.36 0.00 0.00 55.97 57.13 1wra s LYS 203 Cb -0.48 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.34 1wra s LYS 203 CO 0.53 -0.14 -0.03 0.96 -0.76 0.00 0.00 175.35 175.92 1wra s ILE 204 N 0.37 0.92 -0.27 2.17 -4.36 -0.07 -5.01 121.20 114.95 1wra s ILE 204 Ca 0.55 -2.02 0.20 0.00 -0.26 0.00 0.00 60.65 59.13 1wra s ILE 204 Cb -0.31 -2.11 0.22 0.00 1.25 0.00 0.00 42.46 41.52 1wra s ILE 204 CO 0.33 -0.51 1.57 4.11 0.24 0.00 0.00 174.94 180.69 1wra h TRP 205 N 2.65 0.00 -1.54 1.37 5.08 -1.96 -1.68 115.95 119.87 1wra h TRP 205 Ca -0.37 0.00 0.08 0.00 1.08 0.00 0.00 58.89 59.68 1wra h TRP 205 Cb 1.21 0.00 -0.25 0.00 -3.00 0.00 0.00 29.16 27.12 1wra h TRP 205 CO 0.58 0.22 0.54 0.34 -1.28 0.00 0.00 178.44 178.83 1wra s ASP 206 N -6.29 -0.38 0.45 0.11 -1.08 -1.26 -4.41 116.67 103.82 1wra s ASP 206 Ca 0.05 0.57 0.31 0.00 -0.52 0.00 0.00 52.55 52.96 1wra s ASP 206 Cb 0.07 0.53 1.60 0.00 -1.46 0.00 0.00 42.92 43.65 1wra s ASP 206 CO 0.69 -0.23 1.93 -0.78 0.52 0.00 0.00 175.17 177.30 1wra h ASP 207 N 3.27 0.00 -0.99 -0.34 3.58 -1.90 -2.59 116.42 117.45 1wra h ASP 207 Ca -0.23 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.39 1wra h ASP 207 Cb 1.17 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.13 1wra h ASP 207 CO 0.21 0.00 0.62 0.78 -2.88 0.00 0.00 179.24 177.97 1wra h ASN 208 N 0.00 0.78 0.72 2.28 4.21 -1.97 -0.77 115.58 120.84 1wra h ASN 208 Ca 0.00 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1wra h ASN 208 Cb 0.08 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1wra h ASN 208 CO 0.00 0.33 -0.03 0.28 -1.29 0.00 0.00 177.43 176.72 1wra h SER 209 N 0.79 0.00 -0.12 5.81 0.02 -1.70 -1.86 113.55 116.49 1wra h SER 209 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1wra h SER 209 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1wra h SER 209 CO -0.32 0.03 0.00 -3.20 -1.14 0.00 0.00 176.83 172.19 1wra n ASN 210 N -3.16 1.00 -4.68 3.07 5.15 -0.29 -4.84 115.26 111.52 1wra n ASN 210 Ca -0.00 -1.68 -0.45 0.00 -0.60 0.00 0.00 54.58 51.84 1wra n ASN 210 Cb 0.25 -0.08 -0.04 0.00 -0.53 0.00 0.00 39.78 39.39 1wra n ASN 210 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wra n SER 211 N -0.08 3.39 -4.66 1.20 7.64 -0.70 -4.83 113.62 115.57 1wra n SER 211 Ca 0.13 1.06 -0.43 0.00 1.01 0.00 0.00 58.87 60.65 1wra n SER 211 Cb 0.21 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 61.92 1wra n SER 211 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1wra s LEU 212 N 1.42 4.10 -0.06 -3.43 2.96 -0.14 -4.80 118.68 118.73 1wra s LEU 212 Ca 0.80 1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 1wra s LEU 212 Cb -0.63 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 42.54 1wra s LEU 212 CO 0.38 -0.64 0.30 -0.63 -1.32 0.00 0.00 176.35 174.44 1wra s ILE 213 N 3.13 5.23 -0.06 6.68 1.01 -0.79 -4.49 121.20 131.91 1wra s ILE 213 Ca 0.42 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.70 1wra s ILE 213 Cb -0.15 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1wra s ILE 213 CO 0.06 0.57 -0.18 -0.44 0.00 0.00 0.00 174.94 174.96 1wra s SER 214 N -0.89 2.31 -0.17 3.58 0.01 0.35 -1.58 113.70 117.31 1wra s SER 214 Ca 0.20 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 1wra s SER 214 Cb -0.15 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1wra s SER 214 CO 0.09 0.14 -0.14 -0.69 0.41 0.00 0.00 173.24 173.05 1wra s VAL 215 N 0.21 2.68 -0.16 3.43 1.01 -0.08 -0.91 120.40 126.57 1wra s VAL 215 Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1wra s VAL 215 Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1wra s VAL 215 CO 0.04 0.50 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1wra s VAL 216 N 1.01 4.00 -0.11 2.92 1.01 0.05 -1.38 120.40 127.90 1wra s VAL 216 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1wra s VAL 216 Cb -0.15 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1wra s VAL 216 CO -0.03 0.48 -0.12 -0.75 0.00 0.00 0.00 175.10 174.68 1wra s LYS 217 N 0.44 1.94 -0.22 2.72 2.20 0.14 -1.03 119.74 125.93 1wra s LYS 217 Ca -0.03 -0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 1wra s LYS 217 Cb -0.14 -1.78 0.06 0.00 -1.51 0.00 0.00 37.83 34.46 1wra s LYS 217 CO 0.02 -0.16 0.63 0.54 -0.36 0.00 0.00 175.35 176.02 1wra s VAL 218 N 1.31 0.00 -1.46 4.02 0.11 -0.71 -0.84 120.40 122.84 1wra s VAL 218 Ca -0.01 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1wra s VAL 218 Cb -0.14 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1wra s VAL 218 CO -0.05 -0.01 0.67 0.59 -3.33 0.00 0.00 175.10 172.97 1wra n ASN 219 N 2.57 -5.32 -0.11 3.54 3.02 -1.26 -1.72 115.26 115.98 1wra n ASN 219 Ca -0.14 -0.39 -0.01 0.00 -0.03 0.00 0.00 54.58 54.00 1wra n ASN 219 Cb 0.56 -4.30 -0.01 0.00 -0.61 0.00 0.00 39.78 35.42 1wra n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wra n GLY 220 N -1.49 0.46 3.48 7.41 0.00 -1.26 -4.01 105.19 109.78 1wra n GLY 220 Ca -0.06 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1wra n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wra s LYS 221 N -1.08 1.74 -0.03 1.61 -0.14 -0.70 -5.08 119.74 116.06 1wra s LYS 221 Ca 0.00 -1.50 0.02 0.00 -1.36 0.00 0.00 55.97 53.14 1wra s LYS 221 Cb 0.00 -1.93 0.01 0.00 -1.68 0.00 0.00 37.83 34.22 1wra s LYS 221 CO 0.00 0.39 -0.08 0.15 -0.76 0.00 0.00 175.35 175.05 1wra s LYS 222 N -2.93 0.97 -0.10 1.68 1.02 -1.26 -1.74 119.74 117.39 1wra s LYS 222 Ca 0.24 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.98 1wra s LYS 222 Cb -0.07 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1wra s LYS 222 CO 0.13 0.07 -0.12 0.42 -0.92 0.00 0.00 175.35 174.93 1wra s ILE 223 N 0.36 1.21 -0.20 2.17 1.01 -0.19 -1.23 121.20 124.32 1wra s ILE 223 Ca -0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 1wra s ILE 223 Cb -0.10 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1wra s ILE 223 CO 0.01 0.38 0.11 -0.47 0.00 0.00 0.00 174.94 174.97 1wra s TYR 224 N 1.12 3.31 -0.25 3.97 5.04 -0.38 -0.77 117.35 129.39 1wra s TYR 224 Ca -0.05 0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1wra s TYR 224 Cb -0.14 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.09 1wra s TYR 224 CO -0.02 0.15 0.03 -0.51 -1.34 0.00 0.00 175.55 173.87 1wra s LEU 225 N 0.57 2.05 -0.18 6.97 1.43 -0.08 -1.59 118.68 127.86 1wra s LEU 225 Ca 0.06 -1.24 0.15 0.00 -1.03 0.00 0.00 54.13 52.06 1wra s LEU 225 Cb -0.12 -0.89 0.37 0.00 0.03 0.00 0.00 46.19 45.58 1wra s LEU 225 CO 0.01 -0.33 1.20 0.61 0.23 0.00 0.00 176.35 178.07 1wra n GLY 226 N 4.85 4.99 7.00 -3.19 0.00 -1.26 -0.49 105.19 117.08 1wra n GLY 226 Ca -0.07 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1wra n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wra n GLY 227 N -1.25 3.36 1.67 -0.02 0.00 -1.26 -1.49 105.19 106.20 1wra n GLY 227 Ca 0.18 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1wra n GLY 227 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wra n ASP 228 N 4.11 3.97 -4.53 1.61 8.00 -1.26 -2.60 116.55 125.84 1wra n ASP 228 Ca 0.00 -3.76 -0.52 0.00 0.71 0.00 0.00 54.79 51.21 1wra n ASP 228 Cb 0.00 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 1wra n ASP 228 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1wra n LEU 229 N -1.02 0.61 -4.50 0.64 7.94 -0.56 -4.52 117.00 115.59 1wra n LEU 229 Ca 0.44 1.14 -0.24 0.00 -1.11 0.00 0.00 56.01 56.24 1wra n LEU 229 Cb 1.06 -1.08 -0.09 0.00 0.53 0.00 0.00 43.42 43.84 1wra n LEU 229 CO 0.39 -1.74 -0.23 1.51 -1.11 0.00 0.00 177.39 176.22 1wra s ASP 230 N -0.11 2.67 -0.08 1.96 1.47 -1.26 -4.49 116.67 116.83 1wra s ASP 230 Ca 0.79 -1.55 0.17 0.00 1.18 0.00 0.00 52.55 53.14 1wra s ASP 230 Cb -1.01 0.28 0.60 0.00 -0.34 0.00 0.00 42.92 42.45 1wra s ASP 230 CO 0.54 -0.80 1.51 -3.20 0.68 0.00 0.00 175.17 173.90 1wra n ASN 231 N -1.04 4.14 -0.11 2.11 5.15 0.03 -3.81 115.26 121.72 1wra n ASN 231 Ca -0.05 -2.34 -0.00 0.00 -0.60 0.00 0.00 54.58 51.58 1wra n ASN 231 Cb 0.66 -0.49 0.26 0.00 -0.53 0.00 0.00 39.78 39.68 1wra n ASN 231 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1wra h VAL 232 N 3.43 1.19 -0.50 3.44 2.07 -1.98 -0.58 116.25 123.33 1wra h VAL 232 Ca 0.00 -0.59 -0.19 0.00 0.82 0.00 0.00 66.70 66.75 1wra h VAL 232 Cb 1.22 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 31.41 1wra h VAL 232 CO 0.14 0.23 0.12 1.41 0.02 0.00 0.00 177.57 179.49 1wra n HIS 233 N -4.35 1.61 -0.93 1.57 8.25 -1.26 -4.96 115.22 115.16 1wra n HIS 233 Ca 0.04 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.15 1wra n HIS 233 Cb 0.15 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1wra n HIS 233 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wra n GLY 234 N -0.76 0.53 0.27 -1.41 0.00 -0.23 -4.96 105.19 98.63 1wra n GLY 234 Ca 0.35 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 1wra n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wra h ALA 235 N 0.00 1.01 -0.36 4.61 0.00 -1.77 -0.95 119.26 121.80 1wra h ALA 235 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1wra h ALA 235 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wra h ALA 235 CO 0.00 0.59 -0.00 0.93 0.00 0.00 0.00 179.25 180.77 1wra h GLU 236 N 0.65 0.64 -0.92 0.00 5.08 -1.89 0.11 114.58 118.25 1wra h GLU 236 Ca 0.11 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1wra h GLU 236 Cb 0.61 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1wra h GLU 236 CO 0.04 0.76 0.61 -0.44 -1.00 0.00 0.00 179.01 178.97 1wra h ASP 237 N 0.46 1.03 -0.00 1.42 3.32 -1.86 -1.11 116.42 119.68 1wra h ASP 237 Ca 0.10 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1wra h ASP 237 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1wra h ASP 237 CO 0.02 0.73 -0.08 0.50 -1.72 0.00 0.00 179.24 178.69 1wra h LYS 238 N 1.21 0.06 0.00 3.56 3.64 -1.06 -3.39 116.57 120.60 1wra h LYS 238 Ca 0.35 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1wra h LYS 238 Cb -0.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1wra h LYS 238 CO -0.09 0.81 -0.82 1.88 -2.27 0.00 0.00 179.45 178.96 1wra h TYR 239 N -0.66 0.00 -0.11 1.91 0.05 -0.72 -3.36 116.97 114.08 1wra h TYR 239 Ca -0.01 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1wra h TYR 239 Cb 0.83 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.51 1wra h TYR 239 CO 0.19 0.12 -0.48 0.78 -1.05 0.00 0.00 178.16 177.71 1wra h GLY 240 N 3.92 -0.90 2.00 3.88 0.00 -1.39 0.96 103.07 111.55 1wra h GLY 240 Ca -0.02 0.60 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 1wra h GLY 240 CO 0.01 -0.22 -0.19 -2.55 0.00 0.00 0.00 176.54 173.60 1wra h PRO 241 N -0.56 0.00 0.02 4.80 0.11 -1.79 -1.13 132.00 133.45 1wra h PRO 241 Ca 0.05 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.92 1wra h PRO 241 Cb 0.67 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.78 1wra h PRO 241 CO -0.41 0.19 -1.00 -0.07 -0.21 0.00 0.00 178.00 176.50 1wra h LEU 242 N 0.00 0.62 -0.06 2.35 3.38 -1.54 -3.29 115.31 116.78 1wra h LEU 242 Ca -0.00 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 1wra h LEU 242 Cb 0.38 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wra h LEU 242 CO 0.02 1.32 -0.16 0.40 0.09 0.00 0.00 178.44 180.11 1wra h ILE 243 N 0.26 1.44 -0.42 1.22 2.04 -0.67 -3.49 117.51 117.87 1wra h ILE 243 Ca -0.10 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1wra h ILE 243 Cb 1.65 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1wra h ILE 243 CO 0.18 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.37 1wra n GLY 244 N 0.56 -0.14 3.72 5.37 0.00 -0.44 -4.86 105.19 109.39 1wra n GLY 244 Ca -0.08 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1wra n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wra s LYS 245 N 0.00 4.28 0.35 1.61 2.47 -1.23 -4.05 119.74 123.18 1wra s LYS 245 Ca 0.00 2.17 0.04 0.00 -1.56 0.00 0.00 55.97 56.62 1wra s LYS 245 Cb 0.00 -3.23 -0.06 0.00 -1.46 0.00 0.00 37.83 33.08 1wra s LYS 245 CO 0.00 -0.50 0.06 0.14 0.16 0.00 0.00 175.35 175.21 1wra s VAL 246 N 1.17 1.15 -0.23 4.02 -7.23 -0.06 -4.96 120.40 114.27 1wra s VAL 246 Ca 0.66 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 1wra s VAL 246 Cb -0.39 -2.71 -0.14 0.00 0.56 0.00 0.00 36.38 33.70 1wra s VAL 246 CO 0.30 0.00 -0.08 0.47 -0.31 0.00 0.00 175.10 175.49 1wra n ASP 247 N -0.82 1.90 -4.30 4.85 8.00 -0.37 -3.82 116.55 121.99 1wra n ASP 247 Ca -0.04 0.41 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 1wra n ASP 247 Cb 0.66 -0.89 -0.15 0.00 -0.02 0.00 0.00 41.12 40.72 1wra n ASP 247 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wra s LEU 248 N -7.78 2.49 -0.17 0.64 2.96 -0.96 -0.52 118.68 115.34 1wra s LEU 248 Ca -0.31 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1wra s LEU 248 Cb 0.09 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.25 1wra s LEU 248 CO 0.51 0.13 -0.19 -0.32 -1.32 0.00 0.00 176.35 175.16 1wra s MET 249 N 0.52 3.03 0.03 1.98 -2.45 -0.10 -1.25 119.30 121.06 1wra s MET 249 Ca -0.11 -0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 53.21 1wra s MET 249 Cb -0.16 -2.57 -0.06 0.00 1.25 0.00 0.00 34.83 33.29 1wra s MET 249 CO 0.04 -0.16 1.32 0.21 1.05 0.00 0.00 175.02 177.48 1wra s LYS 250 N 1.19 4.34 0.40 4.11 2.20 -0.62 -1.30 119.74 130.06 1wra s LYS 250 Ca 0.02 1.90 -0.27 0.00 -0.36 0.00 0.00 55.97 57.26 1wra s LYS 250 Cb -0.14 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1wra s LYS 250 CO -0.10 -0.44 1.39 0.34 -0.36 0.00 0.00 175.35 176.18 1wra n PHE 251 N 4.65 2.59 -2.47 4.03 7.35 -0.21 -4.62 117.46 128.78 1wra n PHE 251 Ca 0.11 0.48 -0.41 0.00 -0.76 0.00 0.00 57.45 56.87 1wra n PHE 251 Cb 0.44 -2.46 -0.04 0.00 0.35 0.00 0.00 39.48 37.78 1wra n PHE 251 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1wra s ASN 252 N -0.34 7.20 -1.35 -2.13 0.01 -1.26 -4.02 114.94 113.04 1wra s ASN 252 Ca 0.57 2.13 -0.06 0.00 -0.71 0.00 0.00 52.86 54.79 1wra s ASN 252 Cb -0.49 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.59 1wra s ASN 252 CO 0.61 -0.27 1.00 1.57 -1.51 0.00 0.00 177.10 178.49 1wra n HIS 253 N 2.44 -2.40 0.00 2.20 -0.00 -1.07 -4.24 115.22 112.15 1wra n HIS 253 Ca 0.03 0.94 0.00 0.00 0.46 0.00 0.00 57.72 59.15 1wra n HIS 253 Cb 0.46 -4.67 0.00 0.00 -0.12 0.00 0.00 29.99 25.65 1wra n HIS 253 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1wra n HIS 254 N -4.59 0.00 -1.42 1.57 8.25 -1.26 -2.39 115.22 115.39 1wra n HIS 254 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1wra n HIS 254 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1wra n HIS 254 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1wra n HIS 255 N 0.00 0.00 -2.30 4.41 1.44 -1.26 -4.22 115.22 113.29 1wra n HIS 255 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1wra n HIS 255 Cb 0.00 0.03 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 1wra n HIS 255 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1wra s ASP 256 N 0.00 6.95 0.00 4.39 3.68 -1.01 -0.87 116.67 129.81 1wra s ASP 256 Ca 0.00 2.14 0.10 0.00 2.13 0.00 0.00 52.55 56.92 1wra s ASP 256 Cb 0.00 -2.58 0.08 0.00 -1.45 0.00 0.00 42.92 38.97 1wra s ASP 256 CO 0.00 -0.57 0.82 0.35 0.13 0.00 0.00 175.17 175.90 1wra n THR 257 N 4.03 0.01 0.02 1.71 -2.24 -0.92 -4.17 114.28 112.72 1wra n THR 257 Ca 0.10 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1wra n THR 257 Cb 0.44 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.79 1wra n THR 257 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1wra h ASN 258 N 1.96 -0.06 0.00 3.42 -1.24 -1.91 -3.40 115.58 114.36 1wra h ASN 258 Ca 0.00 -0.42 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1wra h ASN 258 Cb 0.42 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1wra h ASN 258 CO 0.00 0.41 0.00 0.29 -1.29 0.00 0.00 177.43 176.84 1wra n LYS 259 N -4.90 1.85 -4.38 6.67 5.02 -1.26 -5.03 118.16 116.14 1wra n LYS 259 Ca -0.08 -0.28 -0.19 0.00 -2.02 0.00 0.00 58.31 55.74 1wra n LYS 259 Cb 0.25 -0.76 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 1wra n LYS 259 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wra s SER 260 N -0.34 1.84 -1.41 4.39 0.01 -1.26 -0.79 113.70 116.13 1wra s SER 260 Ca 0.00 -1.34 -0.07 0.00 1.31 0.00 0.00 55.95 55.84 1wra s SER 260 Cb 0.00 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1wra s SER 260 CO 0.00 -0.63 0.56 0.59 0.41 0.00 0.00 173.24 174.17 1wra n ASN 261 N -0.55 -4.86 -4.49 2.44 3.02 -1.26 -4.19 115.26 105.37 1wra n ASN 261 Ca -0.02 -0.35 -0.52 0.00 -0.03 0.00 0.00 54.58 53.67 1wra n ASN 261 Cb 0.66 -3.96 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 1wra n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1wra n THR 262 N -4.22 1.04 -0.37 3.41 -1.04 -1.26 -4.74 114.28 107.10 1wra n THR 262 Ca -0.06 -0.26 0.06 0.00 -2.04 0.00 0.00 64.05 61.75 1wra n THR 262 Cb 0.58 -0.29 0.22 0.00 -1.82 0.00 0.00 70.33 69.02 1wra n THR 262 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wra h LYS 263 N 2.38 1.03 -0.53 -2.82 1.57 -1.97 -0.22 116.57 116.02 1wra h LYS 263 Ca -0.40 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1wra h LYS 263 Cb 1.40 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1wra h LYS 263 CO 0.64 0.68 0.35 -0.44 -0.57 0.00 0.00 179.45 180.11 1wra h ASP 264 N 1.06 0.57 -0.17 0.86 3.32 -1.99 -1.26 116.42 118.81 1wra h ASP 264 Ca 0.48 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.47 1wra h ASP 264 Cb 0.38 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1wra h ASP 264 CO -0.23 0.40 -0.08 0.15 -1.72 0.00 0.00 179.24 177.76 1wra h PHE 265 N 0.67 0.42 -0.90 4.55 3.57 -1.39 -1.06 116.94 122.80 1wra h PHE 265 Ca 0.20 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1wra h PHE 265 Cb -0.01 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1wra h PHE 265 CO -0.00 0.67 0.55 0.82 -2.23 0.00 0.00 178.31 178.13 1wra h ILE 266 N 0.05 1.24 -0.12 1.41 1.08 -1.11 -2.07 117.51 117.98 1wra h ILE 266 Ca 0.04 -0.51 -0.14 0.00 -0.39 0.00 0.00 64.86 63.86 1wra h ILE 266 Cb 0.56 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 1wra h ILE 266 CO 0.03 0.25 -0.53 0.11 -0.69 0.00 0.00 178.15 177.31 1wra h LYS 267 N 1.23 0.35 -0.43 2.37 1.57 -1.17 0.80 116.57 121.29 1wra h LYS 267 Ca 0.32 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1wra h LYS 267 Cb -0.07 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1wra h LYS 267 CO -0.06 0.80 0.28 -0.91 -0.57 0.00 0.00 179.45 178.99 1wra h ASN 268 N 0.28 0.48 1.14 0.86 2.35 -0.98 -3.17 115.58 116.53 1wra h ASN 268 Ca 0.01 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1wra h ASN 268 Cb 1.03 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1wra h ASN 268 CO 0.09 0.35 -0.88 -0.07 -1.65 0.00 0.00 177.43 175.26 1wra h LEU 269 N 0.57 0.00 -3.74 1.61 3.38 -1.13 -3.25 115.31 112.75 1wra h LEU 269 Ca 0.16 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.70 1wra h LEU 269 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1wra h LEU 269 CO -0.04 0.77 -0.75 -0.24 0.09 0.00 0.00 178.44 178.26 1wra n SER 270 N -3.24 -3.06 -4.79 -0.43 2.88 0.28 -0.88 113.62 104.37 1wra n SER 270 Ca -0.01 -0.92 -0.34 0.00 -1.33 0.00 0.00 58.87 56.28 1wra n SER 270 Cb 0.86 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1wra n SER 270 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wra s PRO 271 N -6.35 3.39 0.32 -1.46 0.04 -1.25 -4.57 135.00 125.13 1wra s PRO 271 Ca 0.30 1.35 0.20 0.00 0.04 0.00 0.00 61.00 62.89 1wra s PRO 271 Cb -0.17 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 32.50 1wra s PRO 271 CO 0.70 -0.77 1.41 0.66 0.04 0.00 0.00 177.00 179.04 1wra h SER 272 N 0.84 0.00 -3.51 6.66 4.64 -0.98 -3.44 113.55 117.76 1wra h SER 272 Ca -0.48 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.54 1wra h SER 272 Cb 1.23 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.98 1wra h SER 272 CO 0.57 0.20 -0.73 -0.22 -0.87 0.00 0.00 176.83 175.78 1wra s LEU 273 N -6.12 1.04 -0.19 5.97 2.96 -0.89 -1.57 118.68 119.88 1wra s LEU 273 Ca 0.04 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1wra s LEU 273 Cb 0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.65 1wra s LEU 273 CO 0.72 -0.13 0.02 -0.63 -1.32 0.00 0.00 176.35 175.01 1wra s ILE 274 N 1.11 4.22 -0.21 6.68 1.01 0.82 -0.92 121.20 133.91 1wra s ILE 274 Ca -0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1wra s ILE 274 Cb -0.13 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1wra s ILE 274 CO -0.03 0.44 0.04 -0.69 0.00 0.00 0.00 174.94 174.70 1wra s VAL 275 N 0.74 4.28 -0.20 2.92 1.01 -0.42 -1.04 120.40 127.69 1wra s VAL 275 Ca 0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1wra s VAL 275 Cb -0.14 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1wra s VAL 275 CO 0.02 0.41 0.14 -1.10 0.00 0.00 0.00 175.10 174.57 1wra s GLN 276 N 0.99 4.18 -1.26 2.72 -0.21 0.07 -1.05 119.66 125.10 1wra s GLN 276 Ca 0.03 -0.21 -0.09 0.00 0.02 0.00 0.00 55.36 55.11 1wra s GLN 276 Cb -0.14 -3.44 0.18 0.00 1.00 0.00 0.00 33.01 30.62 1wra s GLN 276 CO 0.02 0.27 1.85 0.25 -2.12 0.00 0.00 175.29 175.56 1wra n THR 277 N 3.62 4.50 -3.52 -0.19 -2.24 -1.26 -0.40 114.28 114.80 1wra n THR 277 Ca -0.16 -4.58 -0.10 0.00 -2.27 0.00 0.00 64.05 56.95 1wra n THR 277 Cb 0.52 -2.31 -0.03 0.00 -2.10 0.00 0.00 70.33 66.41 1wra n THR 277 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wra s SER 278 N 0.50 -0.39 0.00 3.42 0.15 -1.26 -2.96 113.70 113.15 1wra s SER 278 Ca 0.39 0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.41 1wra s SER 278 Cb 0.09 0.39 0.18 0.00 -1.71 0.00 0.00 66.02 64.97 1wra s SER 278 CO 0.01 -0.57 1.24 -0.90 1.20 0.00 0.00 173.24 174.22 1wra n ASP 279 N 0.04 2.71 -4.90 5.45 5.75 -1.05 -3.99 116.55 120.57 1wra n ASP 279 Ca -0.10 -1.86 -0.34 0.00 -0.01 0.00 0.00 54.79 52.47 1wra n ASP 279 Cb 0.61 0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.76 1wra n ASP 279 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wra s SER 280 N -2.11 6.37 0.98 -1.12 0.15 -1.26 -4.99 113.70 111.72 1wra s SER 280 Ca 0.26 0.38 -0.11 0.00 0.70 0.00 0.00 55.95 57.18 1wra s SER 280 Cb 0.20 -2.02 0.18 0.00 -1.71 0.00 0.00 66.02 62.67 1wra s SER 280 CO 0.36 0.30 1.09 -0.76 1.20 0.00 0.00 173.24 175.44 1wra s LEU 281 N -1.68 2.10 0.18 3.45 1.02 -1.26 -4.83 118.68 117.66 1wra s LEU 281 Ca 0.24 1.82 -0.32 0.00 0.02 0.00 0.00 54.13 55.89 1wra s LEU 281 Cb -0.12 -4.07 -0.16 0.00 0.02 0.00 0.00 46.19 41.85 1wra s LEU 281 CO 0.14 -3.31 1.09 -2.65 0.02 0.00 0.00 176.35 171.65 1wra n PRO 282 N -4.35 1.06 -3.84 1.29 -0.02 -1.26 -4.84 135.00 123.05 1wra n PRO 282 Ca 0.08 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.76 1wra n PRO 282 Cb 0.53 -1.82 -0.17 0.00 -0.02 0.00 0.00 33.50 32.03 1wra n PRO 282 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1wra s TRP 283 N -0.36 0.24 -0.28 6.00 -0.11 -0.05 -0.65 118.94 123.73 1wra s TRP 283 Ca 0.71 0.06 0.01 0.00 1.22 0.00 0.00 56.10 58.10 1wra s TRP 283 Cb -0.85 -0.41 0.15 0.00 -1.50 0.00 0.00 33.47 30.86 1wra s TRP 283 CO 0.54 -0.15 0.40 0.21 -4.62 0.00 0.00 176.95 173.33 1wra s LYS 284 N 1.30 0.40 -1.33 5.86 2.20 -1.26 -2.16 119.74 124.76 1wra s LYS 284 Ca -0.06 0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1wra s LYS 284 Cb -0.13 -0.34 -0.00 0.00 -1.51 0.00 0.00 37.83 35.84 1wra s LYS 284 CO -0.03 -0.96 0.55 0.09 -0.36 0.00 0.00 175.35 174.65 1wra n ASN 285 N 5.35 -1.49 0.00 1.43 3.02 -1.26 -4.62 115.26 117.70 1wra n ASN 285 Ca -0.00 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1wra n ASN 285 Cb 0.49 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 1wra n ASN 285 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wra n GLY 286 N -1.83 -2.89 3.72 7.41 0.00 -1.26 -4.95 105.19 105.39 1wra n GLY 286 Ca -0.27 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 1wra n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wra s VAL 287 N -0.96 2.05 -1.23 1.61 1.01 -1.26 -4.43 120.40 117.18 1wra s VAL 287 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1wra s VAL 287 Cb 0.00 -3.02 0.14 0.00 0.00 0.00 0.00 36.38 33.50 1wra s VAL 287 CO 0.00 0.00 1.53 -0.62 0.00 0.00 0.00 175.10 176.01 1wra s ASP 288 N 1.09 7.00 0.20 3.32 -1.08 0.18 -4.74 116.67 122.63 1wra s ASP 288 Ca 0.73 -2.82 -0.06 0.00 -0.52 0.00 0.00 52.55 49.89 1wra s ASP 288 Cb -0.49 -2.46 0.14 0.00 -1.46 0.00 0.00 42.92 38.65 1wra s ASP 288 CO 0.34 -0.88 1.60 0.77 0.52 0.00 0.00 175.17 177.52 1wra h SER 289 N 7.30 0.83 -0.74 -0.34 4.64 -1.89 -1.61 113.55 121.74 1wra h SER 289 Ca 0.36 -0.31 0.14 0.00 -0.47 0.00 0.00 61.79 61.50 1wra h SER 289 Cb 0.87 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 62.64 1wra h SER 289 CO 1.31 1.04 0.27 -0.08 -0.87 0.00 0.00 176.83 178.50 1wra h GLU 290 N 0.70 0.39 -0.23 4.77 4.57 -1.99 0.10 114.58 122.90 1wra h GLU 290 Ca 0.09 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1wra h GLU 290 Cb 0.78 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1wra h GLU 290 CO 0.06 0.26 -0.27 -0.92 -1.18 0.00 0.00 179.01 176.97 1wra h TYR 291 N 0.41 0.71 -0.57 0.92 3.20 -1.79 -1.11 116.97 118.73 1wra h TYR 291 Ca 0.41 -0.22 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1wra h TYR 291 Cb 0.62 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1wra h TYR 291 CO -0.18 0.93 0.33 0.28 -1.64 0.00 0.00 178.16 177.88 1wra h VAL 292 N 0.28 1.02 -0.63 1.81 2.07 -0.85 -1.71 116.25 118.23 1wra h VAL 292 Ca 0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1wra h VAL 292 Cb 0.83 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1wra h VAL 292 CO 0.06 0.12 0.41 -1.13 0.02 0.00 0.00 177.57 177.05 1wra h ASN 293 N 0.63 0.74 -0.91 0.57 -1.24 -0.75 -2.63 115.58 111.99 1wra h ASN 293 Ca 0.24 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.24 1wra h ASN 293 Cb 0.08 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 1wra h ASN 293 CO -0.13 0.55 0.59 -0.25 -1.29 0.00 0.00 177.43 176.90 1wra h TRP 294 N 0.86 1.12 -0.28 0.67 7.01 -0.61 -0.38 115.95 124.34 1wra h TRP 294 Ca 0.23 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1wra h TRP 294 Cb -0.07 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.60 1wra h TRP 294 CO -0.03 0.67 0.09 -0.07 -2.79 0.00 0.00 178.44 176.32 1wra h LEU 295 N 1.18 0.40 -0.50 0.65 3.38 -1.11 -2.23 115.31 117.09 1wra h LEU 295 Ca 0.35 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1wra h LEU 295 Cb -0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1wra h LEU 295 CO -0.10 0.49 0.28 0.11 0.09 0.00 0.00 178.44 179.32 1wra h LYS 296 N 0.29 0.54 -0.46 1.13 1.57 -1.11 -1.20 116.57 117.34 1wra h LYS 296 Ca 0.09 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1wra h LYS 296 Cb 0.23 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1wra h LYS 296 CO -0.00 0.36 0.31 0.93 -0.57 0.00 0.00 179.45 180.47 1wra h GLU 297 N 0.55 0.34 -0.01 3.15 5.08 -0.92 -0.83 114.58 121.95 1wra h GLU 297 Ca 0.21 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wra h GLU 297 Cb 0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1wra h GLU 297 CO -0.12 0.23 -0.06 0.54 -1.00 0.00 0.00 179.01 178.60 1wra n ARG 298 N -4.47 1.24 -1.18 2.33 1.74 -0.85 -4.93 116.66 110.54 1wra n ARG 298 Ca 0.06 -0.59 -0.02 0.00 -0.77 0.00 0.00 57.85 56.53 1wra n ARG 298 Cb 0.27 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1wra n ARG 298 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wra n GLY 299 N 1.19 0.54 3.57 -0.13 0.00 -0.32 -5.02 105.19 105.02 1wra n GLY 299 Ca 0.18 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1wra n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wra s ILE 300 N -2.10 5.01 0.51 -0.61 1.01 -0.51 -4.91 121.20 119.60 1wra s ILE 300 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.86 1wra s ILE 300 Cb 0.00 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 1wra s ILE 300 CO 0.00 -0.18 1.20 -0.70 0.00 0.00 0.00 174.94 175.25 1wra s GLU 301 N 2.40 3.44 -0.07 2.79 2.12 -0.61 -4.24 118.70 124.52 1wra s GLU 301 Ca 0.19 1.83 -0.03 0.00 0.36 0.00 0.00 54.97 57.32 1wra s GLU 301 Cb -0.15 -2.22 0.04 0.00 0.26 0.00 0.00 34.13 32.06 1wra s GLU 301 CO 0.13 -0.83 0.14 0.50 -0.54 0.00 0.00 175.26 174.66 1wra s ARG 302 N -2.96 0.04 0.08 4.30 3.52 -1.26 -0.13 118.95 122.54 1wra s ARG 302 Ca 0.69 0.48 0.07 0.00 -0.13 0.00 0.00 55.73 56.84 1wra s ARG 302 Cb -0.30 -0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 32.80 1wra s ARG 302 CO 0.35 -0.26 -0.18 0.96 -0.81 0.00 0.00 175.30 175.36 1wra s ILE 303 N 1.93 1.45 -0.26 4.11 -4.36 -0.21 -4.98 121.20 118.88 1wra s ILE 303 Ca -0.01 -1.35 -0.15 0.00 -0.26 0.00 0.00 60.65 58.89 1wra s ILE 303 Cb -0.12 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 1wra s ILE 303 CO -0.06 -0.06 0.37 0.20 0.24 0.00 0.00 174.94 175.64 1wra s ASN 304 N -1.65 6.28 -1.37 4.36 -0.87 -1.26 -0.75 114.94 119.67 1wra s ASN 304 Ca 0.03 0.32 -0.16 0.00 -1.57 0.00 0.00 52.86 51.48 1wra s ASN 304 Cb -0.10 -2.21 0.06 0.00 -0.02 0.00 0.00 41.25 38.98 1wra s ASN 304 CO 0.03 -0.16 1.97 0.00 -2.57 0.00 0.00 177.10 176.37 1wra n ALA 305 N 5.19 4.55 -3.19 0.60 0.00 0.47 -4.88 120.51 123.25 1wra n ALA 305 Ca -0.08 -3.88 -0.14 0.00 0.00 0.00 0.00 53.44 49.33 1wra n ALA 305 Cb 0.51 -3.55 -0.15 0.00 0.00 0.00 0.00 19.45 16.26 1wra n ALA 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wra s ALA 306 N 3.60 0.15 -0.15 0.00 0.00 -1.26 -1.75 121.76 122.35 1wra s ALA 306 Ca 0.50 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1wra s ALA 306 Cb 0.09 -0.13 0.12 0.00 0.00 0.00 0.00 23.12 23.20 1wra s ALA 306 CO -0.00 -0.02 0.98 0.45 0.00 0.00 0.00 175.76 177.16 1wra s SER 307 N 0.39 -0.38 -0.00 0.00 0.15 -0.53 -4.91 113.70 108.42 1wra s SER 307 Ca -0.03 0.40 0.18 0.00 0.70 0.00 0.00 55.95 57.20 1wra s SER 307 Cb -0.06 0.32 -0.20 0.00 -1.71 0.00 0.00 66.02 64.37 1wra s SER 307 CO -0.01 -0.37 0.78 0.29 1.20 0.00 0.00 173.24 175.14 1wra n LYS 308 N 0.69 0.84 -0.09 5.44 4.76 -1.26 -4.30 118.16 124.25 1wra n LYS 308 Ca -0.11 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.23 1wra n LYS 308 Cb 0.58 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 32.28 1wra n LYS 308 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wra n ASP 309 N -1.45 1.70 -4.15 4.39 8.00 -1.26 -4.83 116.55 118.96 1wra n ASP 309 Ca 0.03 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 1wra n ASP 309 Cb 0.29 0.39 -0.14 0.00 -0.02 0.00 0.00 41.12 41.65 1wra n ASP 309 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wra s TYR 310 N -2.38 1.30 0.30 1.24 1.51 -1.26 -1.09 117.35 116.96 1wra s TYR 310 Ca -0.16 -0.33 0.27 0.00 -1.01 0.00 0.00 57.07 55.85 1wra s TYR 310 Cb 0.06 -0.78 1.29 0.00 -0.11 0.00 0.00 41.96 42.41 1wra s TYR 310 CO 0.56 0.03 1.99 -0.44 -1.11 0.00 0.00 175.55 176.58 1wra h ASP 311 N 5.13 0.00 -5.02 2.29 3.32 -1.93 -3.42 116.42 116.78 1wra h ASP 311 Ca -0.38 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1wra h ASP 311 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 1wra h ASP 311 CO 0.45 0.15 -0.04 0.00 -1.72 0.00 0.00 179.24 178.07 1wra s ALA 312 N -3.95 -1.16 -0.32 3.45 0.00 -1.26 -1.14 121.76 117.37 1wra s ALA 312 Ca -0.01 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 1wra s ALA 312 Cb 0.12 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1wra s ALA 312 CO 0.59 -0.46 0.51 0.99 0.00 0.00 0.00 175.76 177.40 1wra s THR 313 N -2.31 5.03 -0.17 0.00 2.01 -0.02 -4.79 115.64 115.40 1wra s THR 313 Ca -0.06 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.40 1wra s THR 313 Cb -0.01 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1wra s THR 313 CO -0.01 -0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.03 1wra s VAL 314 N 2.37 3.40 -0.15 3.82 1.01 -1.26 -0.31 120.40 129.27 1wra s VAL 314 Ca 0.19 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1wra s VAL 314 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wra s VAL 314 CO 0.12 0.48 0.08 -0.36 0.00 0.00 0.00 175.10 175.42 1wra s PHE 315 N 0.73 3.34 -0.20 5.22 0.40 -0.58 -0.81 117.98 126.08 1wra s PHE 315 Ca -0.03 0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 56.27 1wra s PHE 315 Cb -0.15 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.37 1wra s PHE 315 CO 0.02 0.37 0.92 0.34 0.70 0.00 0.00 175.22 177.57 1wra s ASP 316 N -0.17 7.01 -0.61 1.36 2.15 -0.05 -1.42 116.67 124.93 1wra s ASP 316 Ca 0.08 1.26 -0.16 0.00 0.43 0.00 0.00 52.55 54.16 1wra s ASP 316 Cb -0.12 -2.49 0.14 0.00 -0.30 0.00 0.00 42.92 40.15 1wra s ASP 316 CO 0.01 -0.52 0.60 -0.63 -0.17 0.00 0.00 175.17 174.46 1wra s ILE 317 N 2.64 5.19 0.23 4.11 1.01 0.19 -1.63 121.20 132.93 1wra s ILE 317 Ca 0.41 -1.57 0.08 0.00 0.00 0.00 0.00 60.65 59.57 1wra s ILE 317 Cb -0.16 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1wra s ILE 317 CO 0.10 -0.96 0.04 -0.13 0.00 0.00 0.00 174.94 173.98 1wra s ARG 318 N 1.60 2.47 0.39 2.79 0.52 -0.89 -4.57 118.95 121.26 1wra s ARG 318 Ca 0.08 -1.22 0.20 0.00 -0.52 0.00 0.00 55.73 54.27 1wra s ARG 318 Cb -0.25 -2.32 1.18 0.00 0.52 0.00 0.00 34.95 34.08 1wra s ARG 318 CO 0.01 0.41 1.70 0.87 0.02 0.00 0.00 175.30 178.32 1wra h LYS 319 N 2.14 0.29 0.00 3.54 1.57 -1.92 -1.85 116.57 120.34 1wra h LYS 319 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1wra h LYS 319 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1wra h LYS 319 CO 0.60 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 179.42 1wra n ASP 320 N -4.75 0.73 0.00 0.86 8.00 -1.26 -4.98 116.55 115.15 1wra n ASP 320 Ca 0.30 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.38 1wra n ASP 320 Cb 1.05 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1wra n ASP 320 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wra n GLY 321 N 1.15 0.94 3.73 0.44 0.00 -0.70 -5.08 105.19 105.68 1wra n GLY 321 Ca 0.05 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1wra n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wra s PHE 322 N -1.27 3.53 -0.17 1.61 0.40 -1.26 -2.09 117.98 118.73 1wra s PHE 322 Ca 0.00 0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 57.21 1wra s PHE 322 Cb 0.00 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 1wra s PHE 322 CO 0.00 0.20 -0.09 0.08 0.70 0.00 0.00 175.22 176.12 1wra s VAL 323 N 0.50 3.29 -0.64 -0.44 1.01 -0.65 -4.95 120.40 118.53 1wra s VAL 323 Ca 0.26 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1wra s VAL 323 Cb -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1wra s VAL 323 CO 0.10 0.49 1.59 0.21 0.00 0.00 0.00 175.10 177.49 1wra s ASN 324 N 0.75 5.73 -0.41 3.32 3.84 -1.26 -0.88 114.94 126.04 1wra s ASN 324 Ca -0.04 0.10 0.05 0.00 0.21 0.00 0.00 52.86 53.19 1wra s ASN 324 Cb -0.15 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.62 1wra s ASN 324 CO 0.02 -2.07 1.77 2.30 -2.79 0.00 0.00 177.10 176.33 1wra n ILE 325 N 6.88 3.01 -0.19 -5.21 -5.35 0.01 -4.73 119.36 113.78 1wra n ILE 325 Ca 0.13 -2.24 -0.03 0.00 -0.27 0.00 0.00 62.75 60.34 1wra n ILE 325 Cb 0.50 -0.45 0.07 0.00 -1.74 0.00 0.00 39.64 38.03 1wra n ILE 325 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1wra h SER 326 N 1.04 0.37 0.28 7.28 0.02 -1.87 -1.83 113.55 118.84 1wra h SER 326 Ca 0.51 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1wra h SER 326 Cb 2.42 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.94 1wra h SER 326 CO 0.89 0.24 0.00 0.35 -1.14 0.00 0.00 176.83 177.18 1wra n THR 327 N -4.89 0.16 1.47 -2.27 -2.24 -1.26 -2.97 114.28 102.28 1wra n THR 327 Ca 0.06 0.04 0.15 0.00 -2.27 0.00 0.00 64.05 62.03 1wra n THR 327 Cb 0.17 -0.65 0.77 0.00 -2.10 0.00 0.00 70.33 68.52 1wra n THR 327 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wra n SER 328 N -1.18 0.00 -4.91 3.42 3.41 -0.69 -4.82 113.62 108.85 1wra n SER 328 Ca 0.14 -0.24 -0.21 0.00 -0.26 0.00 0.00 58.87 58.30 1wra n SER 328 Cb 0.15 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1wra n SER 328 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1wra s TYR 329 N -2.50 3.18 0.31 7.33 1.51 -1.16 -5.09 117.35 120.93 1wra s TYR 329 Ca 0.30 -0.14 -0.29 0.00 -1.01 0.00 0.00 57.07 55.93 1wra s TYR 329 Cb 0.20 -1.66 -0.10 0.00 -0.11 0.00 0.00 41.96 40.29 1wra s TYR 329 CO 0.44 0.31 1.37 0.15 -1.11 0.00 0.00 175.55 176.72 1wra s LYS 330 N -3.99 4.30 1.03 -0.62 1.02 -1.26 -5.00 119.74 115.21 1wra s LYS 330 Ca 0.37 2.29 -0.12 0.00 0.02 0.00 0.00 55.97 58.53 1wra s LYS 330 Cb -0.08 -3.07 0.21 0.00 -0.52 0.00 0.00 37.83 34.36 1wra s LYS 330 CO 0.28 -0.31 1.07 -1.25 -0.92 0.00 0.00 175.35 174.22 1wra s PRO 331 N -1.31 0.18 0.17 -1.68 0.04 -1.26 -4.78 135.00 126.36 1wra s PRO 331 Ca 0.53 0.89 -0.32 0.00 0.04 0.00 0.00 61.00 62.14 1wra s PRO 331 Cb -0.41 -1.68 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1wra s PRO 331 CO 0.51 -3.00 1.63 0.42 0.04 0.00 0.00 177.00 176.60 1wra s ILE 332 N -2.70 2.46 0.42 0.56 1.01 -0.25 -4.99 121.20 117.71 1wra s ILE 332 Ca 0.66 0.30 -0.23 0.00 0.00 0.00 0.00 60.65 61.38 1wra s ILE 332 Cb -0.22 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 1wra s ILE 332 CO 0.60 0.02 1.06 -2.84 0.00 0.00 0.00 174.94 173.78 1wra s PRO 333 N 1.33 4.06 0.00 2.79 0.02 -1.26 -4.98 135.00 136.96 1wra s PRO 333 Ca 0.72 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1wra s PRO 333 Cb -0.45 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1wra s PRO 333 CO 0.32 -0.23 0.00 0.45 -0.33 0.00 0.00 177.00 177.20