#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wko s THR 2 N 0.00 1.64 0.10 0.00 2.01 0.13 -4.99 115.64 114.52 2wko s THR 2 Ca 0.00 -1.85 0.09 0.00 0.31 0.00 0.00 61.69 60.24 2wko s THR 2 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 2wko s THR 2 CO 0.00 -0.35 -0.22 -0.54 -0.69 0.00 0.00 174.62 172.82 2wko s LYS 3 N -2.76 1.19 0.20 4.92 1.02 -1.26 -1.49 119.74 121.56 2wko s LYS 3 Ca 0.13 -1.17 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 2wko s LYS 3 Cb -0.05 -1.47 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 2wko s LYS 3 CO 0.05 0.35 0.15 0.00 -0.92 0.00 0.00 175.35 174.98 2wko s ALA 4 N -1.11 1.13 -0.04 5.17 0.00 -0.85 -1.70 121.76 124.36 2wko s ALA 4 Ca 0.08 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.13 2wko s ALA 4 Cb -0.10 1.38 0.05 0.00 0.00 0.00 0.00 23.12 24.45 2wko s ALA 4 CO 0.04 -0.60 0.51 0.54 0.00 0.00 0.00 175.76 176.25 2wko s VAL 5 N -4.14 0.03 -0.06 0.00 0.11 -0.37 -0.65 120.40 115.32 2wko s VAL 5 Ca 0.38 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 2wko s VAL 5 Cb 0.07 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2wko s VAL 5 CO 0.12 -0.12 0.14 0.00 -3.33 0.00 0.00 175.10 171.92 2wko s VAL 7 N 0.94 3.62 -0.11 0.00 1.01 -1.26 -0.56 120.40 124.04 2wko s VAL 7 Ca -0.07 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 2wko s VAL 7 Cb -0.09 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2wko s VAL 7 CO -0.05 0.15 0.62 -0.76 0.00 0.00 0.00 175.10 175.06 2wko s LEU 8 N 1.45 4.27 0.01 3.92 1.02 -0.02 -3.98 118.68 125.35 2wko s LEU 8 Ca 0.02 1.01 0.01 0.00 0.02 0.00 0.00 54.13 55.18 2wko s LEU 8 Cb -0.17 -2.93 -0.01 0.00 0.02 0.00 0.00 46.19 43.11 2wko s LEU 8 CO 0.00 -0.11 -0.03 -0.54 0.02 0.00 0.00 176.35 175.69 2wko s LYS 9 N 0.95 0.25 0.00 1.70 1.02 -0.02 -3.07 119.74 120.57 2wko s LYS 9 Ca 0.32 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.00 2wko s LYS 9 Cb -0.17 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.04 2wko s LYS 9 CO 0.14 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 2wko n GLY 10 N 2.42 2.91 0.17 -3.33 0.00 -1.25 -1.46 105.19 104.64 2wko n GLY 10 Ca -0.17 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.67 2wko n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wko h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.92 -3.47 116.42 115.97 2wko h ASP 11 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2wko h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wko h ASP 11 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2wko n GLY 12 N 1.17 3.13 0.65 2.75 0.00 -1.26 -5.03 105.19 106.61 2wko n GLY 12 Ca 0.03 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.33 2wko n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wko n PRO 13 N 0.00 1.87 -2.47 1.61 -0.04 -1.26 -4.91 135.00 129.80 2wko n PRO 13 Ca 0.00 -1.30 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 2wko n PRO 13 Cb 0.00 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 2wko n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wko s VAL 14 N -1.80 4.23 0.16 0.52 1.01 -1.26 -4.32 120.40 118.94 2wko s VAL 14 Ca 0.34 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 2wko s VAL 14 Cb 0.19 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2wko s VAL 14 CO 0.29 0.05 0.50 0.00 0.00 0.00 0.00 175.10 175.94 2wko s GLN 15 N 1.70 1.26 0.00 2.72 -2.07 -1.02 -3.89 119.66 118.35 2wko s GLN 15 Ca 0.57 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 2wko s GLN 15 Cb -0.26 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 2wko s GLN 15 CO 0.25 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 2wko n GLY 16 N -0.31 0.16 3.00 2.60 0.00 -1.18 -0.97 105.19 108.49 2wko n GLY 16 Ca -0.13 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 2wko n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wko s ILE 17 N -2.00 1.12 -0.14 -0.61 1.01 -1.13 -0.84 121.20 118.61 2wko s ILE 17 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 2wko s ILE 17 Cb 0.00 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 2wko s ILE 17 CO 0.00 0.36 -0.12 -0.63 0.00 0.00 0.00 174.94 174.54 2wko s ILE 18 N 0.92 3.07 -0.05 2.92 -1.09 0.28 -2.81 121.20 124.44 2wko s ILE 18 Ca -0.10 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.64 2wko s ILE 18 Cb -0.15 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2wko s ILE 18 CO 0.01 0.52 0.14 0.20 -1.23 0.00 0.00 174.94 174.57 2wko s ASN 19 N 0.44 6.18 0.01 3.58 0.01 0.11 -0.49 114.94 124.79 2wko s ASN 19 Ca -0.09 0.34 0.08 0.00 -0.71 0.00 0.00 52.86 52.47 2wko s ASN 19 Cb -0.16 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.56 2wko s ASN 19 CO 0.05 0.32 -0.25 -0.36 -1.51 0.00 0.00 177.10 175.35 2wko s PHE 20 N -1.18 2.21 -0.05 2.20 0.40 0.17 -1.33 117.98 120.41 2wko s PHE 20 Ca 0.22 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 2wko s PHE 20 Cb -0.12 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.07 2wko s PHE 20 CO 0.12 0.04 0.10 -2.00 0.70 0.00 0.00 175.22 174.19 2wko s GLU 21 N -0.91 0.06 -0.18 0.44 2.12 -0.17 -2.00 118.70 118.06 2wko s GLU 21 Ca 0.10 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.68 2wko s GLU 21 Cb -0.10 -0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.20 2wko s GLU 21 CO 0.01 -0.13 0.02 -1.14 -0.54 0.00 0.00 175.26 173.48 2wko s GLN 22 N 0.91 0.73 0.16 4.30 0.74 -0.56 -0.72 119.66 125.21 2wko s GLN 22 Ca -0.07 -0.39 -0.10 0.00 0.05 0.00 0.00 55.36 54.85 2wko s GLN 22 Cb -0.10 -1.99 0.00 0.00 1.10 0.00 0.00 33.01 32.03 2wko s GLN 22 CO -0.04 -0.59 1.55 -0.22 -0.55 0.00 0.00 175.29 175.44 2wko h LYS 23 N 8.24 1.00 -4.84 1.67 1.63 -1.83 0.39 116.57 122.83 2wko h LYS 23 Ca -0.17 -0.43 -0.35 0.00 -0.85 0.00 0.00 60.65 58.85 2wko h LYS 23 Cb 1.12 -0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.48 2wko h LYS 23 CO 0.33 1.11 -0.76 -1.21 -3.45 0.00 0.00 179.45 175.47 2wko s GLU 24 N -4.68 0.67 -0.13 1.90 0.41 -1.26 -2.87 118.70 112.74 2wko s GLU 24 Ca -0.11 -0.67 -0.39 0.00 -0.41 0.00 0.00 54.97 53.38 2wko s GLU 24 Cb 0.12 -0.57 -0.16 0.00 -1.78 0.00 0.00 34.13 31.74 2wko s GLU 24 CO 0.87 0.13 1.60 0.43 -0.49 0.00 0.00 175.26 177.80 2wko n SER 25 N 1.85 2.15 -0.93 -0.19 7.64 -1.26 -1.44 113.62 121.44 2wko n SER 25 Ca -0.19 1.09 -0.11 0.00 1.01 0.00 0.00 58.87 60.66 2wko n SER 25 Cb 0.55 -1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2wko n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2wko n ASN 26 N 4.34 -5.12 -3.33 6.43 5.15 -1.26 -4.99 115.26 116.48 2wko n ASN 26 Ca 0.23 0.28 -0.22 0.00 -0.60 0.00 0.00 54.58 54.28 2wko n ASN 26 Cb 0.16 -3.93 0.16 0.00 -0.53 0.00 0.00 39.78 35.64 2wko n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wko n GLY 27 N 0.15 -2.01 3.78 8.20 0.00 -0.52 -5.04 105.19 109.75 2wko n GLY 27 Ca -0.11 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 2wko n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wko s PRO 28 N -4.97 2.95 -0.16 1.61 0.04 -1.26 -4.89 135.00 128.32 2wko s PRO 28 Ca 0.53 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2wko s PRO 28 Cb -0.03 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2wko s PRO 28 CO 0.39 -1.12 -0.04 0.08 0.04 0.00 0.00 177.00 176.36 2wko s VAL 29 N -2.42 3.84 0.05 -0.36 1.01 0.23 -4.35 120.40 118.40 2wko s VAL 29 Ca 0.65 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 2wko s VAL 29 Cb -0.19 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 2wko s VAL 29 CO 0.41 0.48 0.78 -0.54 0.00 0.00 0.00 175.10 176.23 2wko s LYS 30 N 0.50 4.51 -0.16 2.72 1.02 0.10 -0.53 119.74 127.89 2wko s LYS 30 Ca -0.03 1.09 -0.00 0.00 0.02 0.00 0.00 55.97 57.04 2wko s LYS 30 Cb -0.14 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2wko s LYS 30 CO 0.03 0.28 -0.08 0.08 -0.92 0.00 0.00 175.35 174.74 2wko s VAL 31 N -0.07 1.25 0.02 3.17 1.01 0.13 -1.00 120.40 124.91 2wko s VAL 31 Ca 0.39 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 2wko s VAL 31 Cb -0.21 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2wko s VAL 31 CO 0.23 0.22 0.34 -1.66 0.00 0.00 0.00 175.10 174.23 2wko s TRP 32 N 1.58 -0.19 -4.25 5.22 -2.14 -0.44 0.16 118.94 118.89 2wko s TRP 32 Ca 0.02 0.18 0.00 0.00 2.66 0.00 0.00 56.10 58.96 2wko s TRP 32 Cb -0.15 0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.36 2wko s TRP 32 CO -0.08 -0.48 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 2wko n GLY 33 N 0.84 -0.51 2.96 3.67 0.00 -0.69 0.09 105.19 111.55 2wko n GLY 33 Ca -0.20 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2wko n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wko s SER 34 N -4.00 -0.10 -0.09 1.61 0.15 -1.12 -0.43 113.70 109.71 2wko s SER 34 Ca 0.00 0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.92 2wko s SER 34 Cb 0.00 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2wko s SER 34 CO 0.00 -0.08 -0.21 -0.63 1.20 0.00 0.00 173.24 173.52 2wko s ILE 35 N 0.47 1.81 0.40 6.45 1.01 0.28 -2.82 121.20 128.81 2wko s ILE 35 Ca -0.03 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.81 2wko s ILE 35 Cb -0.05 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2wko s ILE 35 CO -0.02 0.51 0.22 -1.59 0.00 0.00 0.00 174.94 174.06 2wko s LYS 36 N 0.40 2.31 -0.05 2.79 -2.85 -0.15 0.14 119.74 122.33 2wko s LYS 36 Ca -0.17 -1.74 0.00 0.00 -1.00 0.00 0.00 55.97 53.06 2wko s LYS 36 Cb -0.17 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 2wko s LYS 36 CO 0.07 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.83 2wko n GLY 37 N -1.30 0.42 3.81 0.59 0.00 -0.62 -2.42 105.19 105.67 2wko n GLY 37 Ca -0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 2wko n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wko s LEU 38 N -0.11 4.06 0.43 0.99 1.43 -0.86 -4.20 118.68 120.41 2wko s LEU 38 Ca 0.00 0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 2wko s LEU 38 Cb 0.00 -2.21 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 2wko s LEU 38 CO 0.00 0.32 1.14 0.42 0.23 0.00 0.00 176.35 178.46 2wko s THR 39 N -1.13 3.28 0.24 5.49 -4.23 -1.26 -4.15 115.64 113.88 2wko s THR 39 Ca 0.20 1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.41 2wko s THR 39 Cb -0.12 -3.52 -0.14 0.00 1.34 0.00 0.00 72.50 70.05 2wko s THR 39 CO 0.10 0.02 1.16 1.21 -0.54 0.00 0.00 174.62 176.58 2wko n GLU 40 N -0.22 1.45 0.00 3.99 2.13 -1.25 -4.56 120.64 122.17 2wko n GLU 40 Ca 0.06 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.39 2wko n GLU 40 Cb 0.48 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.19 2wko n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wko n GLY 41 N 1.70 0.13 3.80 8.31 0.00 -0.83 -4.92 105.19 113.38 2wko n GLY 41 Ca 0.12 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 2wko n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wko s LEU 42 N 0.00 4.54 -0.06 0.99 1.43 -1.26 -1.08 118.68 123.23 2wko s LEU 42 Ca 0.00 1.36 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2wko s LEU 42 Cb 0.00 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.23 2wko s LEU 42 CO 0.00 0.24 -0.03 -1.00 0.23 0.00 0.00 176.35 175.79 2wko s HIS 43 N -1.03 0.82 0.64 0.29 3.76 -0.22 -2.50 115.29 117.05 2wko s HIS 43 Ca 0.31 -0.26 -0.18 0.00 -0.15 0.00 0.00 55.06 54.78 2wko s HIS 43 Cb -0.20 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.66 2wko s HIS 43 CO 0.21 -0.29 1.09 0.41 -0.85 0.00 0.00 174.74 175.31 2wko n GLY 44 N 4.60 -0.01 2.85 -2.22 0.00 -0.52 -0.91 105.19 108.99 2wko n GLY 44 Ca -0.16 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 2wko n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wko s PHE 45 N -1.50 -0.57 0.06 1.61 5.36 -0.39 -0.45 117.98 122.10 2wko s PHE 45 Ca 0.79 0.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.35 2wko s PHE 45 Cb -0.39 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.11 2wko s PHE 45 CO 0.44 -0.65 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.49 2wko s HIS 46 N 2.45 0.62 -0.22 10.12 3.76 -0.68 -2.26 115.29 129.07 2wko s HIS 46 Ca 0.09 -0.83 -0.17 0.00 -0.15 0.00 0.00 55.06 54.01 2wko s HIS 46 Cb -0.15 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 2wko s HIS 46 CO -0.14 -0.22 0.47 0.08 -0.85 0.00 0.00 174.74 174.08 2wko s VAL 47 N -2.94 5.13 0.34 -0.90 1.01 -0.40 -1.21 120.40 121.43 2wko s VAL 47 Ca 0.01 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.84 2wko s VAL 47 Cb 0.01 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2wko s VAL 47 CO -0.05 0.18 0.52 -1.00 0.00 0.00 0.00 175.10 174.75 2wko s HIS 48 N 1.73 3.41 0.15 5.22 3.76 0.11 -0.89 115.29 128.78 2wko s HIS 48 Ca 0.21 0.20 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 2wko s HIS 48 Cb -0.15 -1.90 0.01 0.00 1.11 0.00 0.00 32.58 31.66 2wko s HIS 48 CO 0.09 0.11 1.59 1.49 -0.85 0.00 0.00 174.74 177.17 2wko h GLU 49 N 0.80 0.88 -5.86 1.40 4.81 -0.95 -3.01 114.58 112.65 2wko h GLU 49 Ca -0.49 -0.29 -0.68 0.00 -0.13 0.00 0.00 59.36 57.77 2wko h GLU 49 Cb 1.23 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 2wko h GLU 49 CO 0.60 0.93 -0.57 -0.06 -0.73 0.00 0.00 179.01 179.17 2wko s PHE 50 N -4.97 3.31 -0.29 0.92 0.08 0.45 -4.72 117.98 112.77 2wko s PHE 50 Ca -0.12 0.31 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 2wko s PHE 50 Cb 0.12 -1.84 0.07 0.00 -0.57 0.00 0.00 43.02 40.80 2wko s PHE 50 CO 0.83 0.56 2.50 0.41 -0.10 0.00 0.00 175.22 179.42 2wko n GLY 51 N 2.07 3.88 3.28 4.36 0.00 -0.88 -3.43 105.19 114.47 2wko n GLY 51 Ca -0.19 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 2wko n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wko s ASP 52 N 0.67 5.26 -0.17 1.61 -1.08 -1.26 -4.94 116.67 116.75 2wko s ASP 52 Ca 0.42 -1.09 0.16 0.00 -0.52 0.00 0.00 52.55 51.52 2wko s ASP 52 Cb 0.28 -1.86 0.39 0.00 -1.46 0.00 0.00 42.92 40.27 2wko s ASP 52 CO -0.08 -0.30 1.26 0.59 0.52 0.00 0.00 175.17 177.15 2wko n ASN 53 N 4.81 2.60 -0.36 -0.34 5.03 -1.26 -2.81 115.26 122.92 2wko n ASN 53 Ca -0.13 -3.28 -0.02 0.00 0.87 0.00 0.00 54.58 52.02 2wko n ASN 53 Cb 0.45 -0.49 0.12 0.00 -1.02 0.00 0.00 39.78 38.84 2wko n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2wko h THR 54 N 0.67 1.25 -0.91 3.41 1.35 -1.94 0.65 112.91 117.40 2wko h THR 54 Ca 0.02 -0.47 -0.49 0.00 -0.55 0.00 0.00 66.41 64.93 2wko h THR 54 Cb 1.17 -0.19 -0.28 0.00 -1.73 0.00 0.00 68.15 67.12 2wko h THR 54 CO 0.09 0.25 0.57 0.00 -0.25 0.00 0.00 175.52 176.17 2wko n ALA 55 N -2.39 5.49 -0.59 6.62 0.00 -1.26 -5.07 120.51 123.31 2wko n ALA 55 Ca 0.12 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.58 2wko n ALA 55 Cb 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2wko n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wko n GLY 56 N -1.13 0.31 0.29 0.00 0.00 0.22 -3.71 105.19 101.17 2wko n GLY 56 Ca 0.57 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2wko n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wko h THR 58 N 0.00 0.88 -0.00 0.00 2.02 -1.91 -2.64 112.91 111.26 2wko h THR 58 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2wko h THR 58 Cb 0.04 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2wko h THR 58 CO 0.00 0.13 -0.01 -1.54 0.37 0.00 0.00 175.52 174.47 2wko n SER 59 N -4.54 0.22 0.12 4.18 3.41 -0.74 -3.89 113.62 112.38 2wko n SER 59 Ca 0.16 -0.84 0.12 0.00 -0.26 0.00 0.00 58.87 58.05 2wko n SER 59 Cb 0.41 -0.06 0.46 0.00 -0.26 0.00 0.00 64.21 64.76 2wko n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wko n ALA 60 N -0.92 1.87 0.00 7.33 0.00 -1.00 -4.56 120.51 123.23 2wko n ALA 60 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2wko n ALA 60 Cb 0.18 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2wko n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wko n GLY 61 N 0.44 -1.88 2.34 0.00 0.00 -1.25 -0.41 105.19 104.43 2wko n GLY 61 Ca 0.03 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 2wko n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wko n PRO 62 N 0.00 -0.71 -1.71 1.61 -0.04 -1.26 -4.63 135.00 128.26 2wko n PRO 62 Ca 0.00 -1.28 -0.43 0.00 -0.04 0.00 0.00 63.50 61.76 2wko n PRO 62 Cb 0.00 -0.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2wko n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wko n HIS 63 N -3.05 2.48 -1.80 0.54 8.25 -1.26 -0.95 115.22 119.43 2wko n HIS 63 Ca 0.10 0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 57.58 2wko n HIS 63 Cb 0.35 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 28.95 2wko n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wko s PHE 64 N -0.60 1.51 -0.38 4.41 5.36 -0.07 -4.53 117.98 123.67 2wko s PHE 64 Ca 0.60 0.32 0.10 0.00 -0.96 0.00 0.00 56.93 57.00 2wko s PHE 64 Cb -0.56 -4.04 0.31 0.00 -0.34 0.00 0.00 43.02 38.39 2wko s PHE 64 CO 0.56 -3.99 0.67 -1.71 -1.46 0.00 0.00 175.22 169.29 2wko n ASN 65 N 9.75 0.45 0.23 6.13 5.15 -1.26 -1.13 115.26 134.59 2wko n ASN 65 Ca 0.24 -2.92 0.09 0.00 -0.60 0.00 0.00 54.58 51.38 2wko n ASN 65 Cb 0.44 -0.52 0.58 0.00 -0.53 0.00 0.00 39.78 39.76 2wko n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wko h PRO 66 N 3.37 0.00 -0.65 1.20 0.13 -1.95 -2.69 132.00 131.40 2wko h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wko h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2wko h PRO 66 CO 0.47 0.20 0.00 1.28 -0.23 0.00 0.00 178.00 179.72 2wko n LEU 67 N -3.86 3.27 -4.11 1.56 4.77 -1.26 -4.96 117.00 112.41 2wko n LEU 67 Ca -0.02 -1.65 -0.44 0.00 -0.03 0.00 0.00 56.01 53.87 2wko n LEU 67 Cb 0.29 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2wko n LEU 67 CO 0.33 0.50 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.49 2wko n SER 68 N 0.49 -3.38 -4.49 -1.43 7.64 -1.02 -4.99 113.62 106.45 2wko n SER 68 Ca 0.15 -1.30 -0.19 0.00 1.01 0.00 0.00 58.87 58.55 2wko n SER 68 Cb 0.66 -1.68 0.04 0.00 -1.01 0.00 0.00 64.21 62.21 2wko n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wko n ARG 69 N -4.99 0.71 -3.04 1.43 5.12 -1.26 -5.13 116.66 109.50 2wko n ARG 69 Ca -0.14 -2.78 -0.24 0.00 -1.93 0.00 0.00 57.85 52.76 2wko n ARG 69 Cb 0.58 -0.01 -0.00 0.00 -1.16 0.00 0.00 32.46 31.87 2wko n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wko s LYS 70 N -4.13 3.34 0.29 5.56 -0.14 -1.26 -4.80 119.74 118.59 2wko s LYS 70 Ca 0.43 -0.24 -0.29 0.00 -1.36 0.00 0.00 55.97 54.50 2wko s LYS 70 Cb -0.03 -2.55 -0.10 0.00 -1.68 0.00 0.00 37.83 33.47 2wko s LYS 70 CO 0.27 -0.10 1.40 -1.58 -0.76 0.00 0.00 175.35 174.58 2wko s HIS 71 N -2.52 2.99 0.19 3.18 5.65 -0.60 -3.33 115.29 120.86 2wko s HIS 71 Ca 0.45 1.18 -0.01 0.00 0.25 0.00 0.00 55.06 56.92 2wko s HIS 71 Cb -0.10 -3.79 0.01 0.00 -1.18 0.00 0.00 32.58 27.52 2wko s HIS 71 CO 0.39 -2.41 0.27 0.41 -0.65 0.00 0.00 174.74 172.76 2wko n GLY 72 N 1.55 2.52 3.83 1.59 0.00 -1.25 -4.30 105.19 109.13 2wko n GLY 72 Ca 0.04 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 2wko n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wko s GLY 73 N -2.15 1.62 0.54 -0.02 0.00 -1.20 -4.69 107.32 101.41 2wko s GLY 73 Ca 0.15 -0.29 0.29 0.00 0.00 0.00 0.00 44.72 44.87 2wko s GLY 73 CO 0.11 0.13 2.10 -0.56 0.00 0.00 0.00 173.10 174.89 2wko h PRO 74 N -1.01 0.00 -0.02 2.90 0.13 -1.87 -2.34 132.00 129.78 2wko h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wko h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2wko h PRO 74 CO 0.61 0.09 -0.06 1.63 -0.23 0.00 0.00 178.00 180.05 2wko n LYS 75 N -3.60 1.99 -2.30 0.86 4.01 -1.26 -4.93 118.16 112.93 2wko n LYS 75 Ca -0.02 -1.54 -0.34 0.00 -0.51 0.00 0.00 58.31 55.91 2wko n LYS 75 Cb 0.22 -1.47 -0.01 0.00 -0.51 0.00 0.00 35.03 33.26 2wko n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wko s ASP 76 N -2.07 5.98 0.12 4.39 1.01 -0.88 -4.97 116.67 120.24 2wko s ASP 76 Ca 0.29 1.95 -0.12 0.00 0.71 0.00 0.00 52.55 55.39 2wko s ASP 76 Cb 0.20 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.47 2wko s ASP 76 CO 0.35 -1.03 1.38 -0.33 0.21 0.00 0.00 175.17 175.75 2wko h GLU 77 N 1.08 0.86 -4.68 8.23 5.08 -1.91 -3.41 114.58 119.83 2wko h GLU 77 Ca -0.49 -0.58 -0.71 0.00 -1.00 0.00 0.00 59.36 56.59 2wko h GLU 77 Cb 1.23 0.08 -0.20 0.00 0.50 0.00 0.00 28.75 30.36 2wko h GLU 77 CO 0.58 1.21 -0.32 -2.00 -1.00 0.00 0.00 179.01 177.47 2wko s GLU 78 N -4.06 3.03 0.17 2.33 2.56 -1.26 -5.03 118.70 116.44 2wko s GLU 78 Ca -0.11 -0.89 -0.20 0.00 0.00 0.00 0.00 54.97 53.78 2wko s GLU 78 Cb 0.10 -3.97 0.05 0.00 2.00 0.00 0.00 34.13 32.30 2wko s GLU 78 CO 0.89 -0.80 0.54 -0.98 -0.56 0.00 0.00 175.26 174.35 2wko s ARG 79 N 1.91 1.28 0.54 4.30 1.70 -1.21 -3.79 118.95 123.67 2wko s ARG 79 Ca 0.08 -0.66 -0.16 0.00 -0.47 0.00 0.00 55.73 54.52 2wko s ARG 79 Cb -0.18 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.68 2wko s ARG 79 CO 0.12 -0.54 1.01 -1.01 -1.08 0.00 0.00 175.30 173.79 2wko s HIS 80 N -3.80 3.32 0.43 5.89 3.76 -1.21 -4.66 115.29 119.01 2wko s HIS 80 Ca 0.04 1.48 0.09 0.00 -0.15 0.00 0.00 55.06 56.52 2wko s HIS 80 Cb -0.01 -2.85 0.94 0.00 1.11 0.00 0.00 32.58 31.77 2wko s HIS 80 CO -0.09 -0.58 2.07 0.28 -0.85 0.00 0.00 174.74 175.57 2wko h VAL 81 N 0.78 1.07 0.00 -0.90 2.07 -1.75 -2.19 116.25 115.34 2wko h VAL 81 Ca -0.47 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2wko h VAL 81 Cb 1.19 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2wko h VAL 81 CO 0.60 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.89 2wko n GLY 82 N -1.49 -1.12 3.55 2.17 0.00 -0.28 -4.39 105.19 103.63 2wko n GLY 82 Ca 0.02 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2wko n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wko s ASP 83 N -2.44 5.75 -0.00 1.61 1.01 -0.82 -1.27 116.67 120.50 2wko s ASP 83 Ca 0.30 -0.31 0.17 0.00 0.71 0.00 0.00 52.55 53.41 2wko s ASP 83 Cb 0.19 -2.55 0.48 0.00 1.01 0.00 0.00 42.92 42.05 2wko s ASP 83 CO 0.40 -2.11 1.40 0.18 0.21 0.00 0.00 175.17 175.25 2wko n LEU 84 N 11.11 3.46 0.00 1.23 4.77 -0.96 -3.53 117.00 133.08 2wko n LEU 84 Ca 0.18 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 2wko n LEU 84 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wko n LEU 84 CO 0.69 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 2wko n GLY 85 N 1.07 0.44 3.35 -0.72 0.00 -1.17 -4.80 105.19 103.37 2wko n GLY 85 Ca 0.18 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 2wko n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wko s ASN 86 N -4.00 3.10 0.17 1.61 0.01 -1.26 -1.27 114.94 113.30 2wko s ASN 86 Ca 0.00 -0.67 0.05 0.00 -0.71 0.00 0.00 52.86 51.52 2wko s ASN 86 Cb 0.00 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 2wko s ASN 86 CO 0.00 0.19 0.17 0.68 -1.51 0.00 0.00 177.10 176.62 2wko s VAL 87 N -0.97 4.63 -0.17 1.60 -7.23 -0.08 -4.91 120.40 113.26 2wko s VAL 87 Ca 0.12 -1.03 -0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2wko s VAL 87 Cb -0.10 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.47 2wko s VAL 87 CO 0.04 -0.12 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.67 2wko s THR 88 N -1.77 2.59 0.34 5.32 2.01 -1.26 -1.06 115.64 121.81 2wko s THR 88 Ca 0.32 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 2wko s THR 88 Cb -0.10 -2.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 2wko s THR 88 CO 0.24 0.51 0.78 0.00 -0.69 0.00 0.00 174.62 175.46 2wko s ALA 89 N 1.08 3.27 0.27 7.40 0.00 -0.24 -4.21 121.76 129.32 2wko s ALA 89 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2wko s ALA 89 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2wko s ALA 89 CO -0.05 0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.61 2wko n ASP 90 N -0.33 0.00 0.13 0.00 5.68 -0.29 -1.96 116.55 119.78 2wko n ASP 90 Ca 0.04 -0.72 0.13 0.00 -0.50 0.00 0.00 54.79 53.74 2wko n ASP 90 Cb 0.53 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.95 2wko n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2wko h LYS 91 N 0.00 0.00 -0.57 0.11 2.10 -1.95 -2.00 116.57 114.26 2wko h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wko h LYS 91 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2wko h LYS 91 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2wko n ASP 92 N -2.37 3.12 -0.62 7.07 8.00 -1.26 -4.92 116.55 125.57 2wko n ASP 92 Ca 0.04 -2.20 -0.07 0.00 0.71 0.00 0.00 54.79 53.27 2wko n ASP 92 Cb 0.35 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 2wko n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wko n ALA 93 N 0.76 -0.14 -3.12 2.24 0.00 -0.75 -4.79 120.51 114.71 2wko n ALA 93 Ca 0.17 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2wko n ALA 93 Cb 0.56 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 2wko n ALA 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wko s VAL 94 N -2.29 2.80 -0.34 0.00 1.01 -1.26 -1.59 120.40 118.74 2wko s VAL 94 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2wko s VAL 94 Cb 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2wko s VAL 94 CO 0.00 0.53 0.14 0.00 0.00 0.00 0.00 175.10 175.78 2wko s ALA 95 N 0.36 3.16 -0.12 5.51 0.00 0.12 -1.14 121.76 129.66 2wko s ALA 95 Ca -0.13 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 49.97 2wko s ALA 95 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2wko s ALA 95 CO 0.06 -1.23 0.69 -0.51 0.00 0.00 0.00 175.76 174.78 2wko s ASP 96 N 1.50 6.90 -0.17 0.00 -0.00 -1.26 -0.55 116.67 123.08 2wko s ASP 96 Ca 0.01 1.09 -0.04 0.00 -0.00 0.00 0.00 52.55 53.61 2wko s ASP 96 Cb -0.19 -2.40 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 2wko s ASP 96 CO 0.05 -0.19 -0.03 -0.69 -0.00 0.00 0.00 175.17 174.30 2wko s VAL 97 N 1.26 3.83 -0.18 -1.27 1.01 0.42 -4.79 120.40 120.69 2wko s VAL 97 Ca 0.35 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2wko s VAL 97 Cb -0.17 -2.70 0.09 0.00 0.00 0.00 0.00 36.38 33.60 2wko s VAL 97 CO 0.15 0.47 0.26 -0.55 0.00 0.00 0.00 175.10 175.43 2wko s SER 98 N 0.64 0.79 0.03 3.32 0.15 -1.24 -1.70 113.70 115.68 2wko s SER 98 Ca -0.02 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.83 2wko s SER 98 Cb -0.14 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2wko s SER 98 CO 0.02 -0.29 -0.08 -0.63 1.20 0.00 0.00 173.24 173.47 2wko s ILE 99 N 2.39 0.56 -0.07 6.45 1.01 0.12 -4.98 121.20 126.69 2wko s ILE 99 Ca 0.05 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2wko s ILE 99 Cb -0.14 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.76 2wko s ILE 99 CO -0.11 -0.19 -0.20 -1.61 0.00 0.00 0.00 174.94 172.83 2wko s GLU 100 N -1.09 2.38 0.02 2.79 8.01 -1.26 0.22 118.70 129.77 2wko s GLU 100 Ca -0.05 -0.72 0.01 0.00 0.01 0.00 0.00 54.97 54.22 2wko s GLU 100 Cb -0.07 -1.91 -0.01 0.00 -4.31 0.00 0.00 34.13 27.82 2wko s GLU 100 CO 0.00 0.20 -0.05 0.34 0.01 0.00 0.00 175.26 175.76 2wko s ASP 101 N 0.25 0.56 0.00 -0.19 2.15 0.31 -4.94 116.67 114.80 2wko s ASP 101 Ca -0.12 -0.33 0.08 0.00 0.43 0.00 0.00 52.55 52.61 2wko s ASP 101 Cb -0.15 0.01 0.11 0.00 -0.30 0.00 0.00 42.92 42.58 2wko s ASP 101 CO 0.05 -0.11 0.87 -1.20 -0.17 0.00 0.00 175.17 174.61 2wko n SER 102 N 2.16 1.94 -0.07 -0.34 7.64 -1.26 0.74 113.62 124.42 2wko n SER 102 Ca -0.19 -1.51 -0.12 0.00 1.01 0.00 0.00 58.87 58.06 2wko n SER 102 Cb 0.56 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2wko n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wko n VAL 103 N 0.38 0.78 -1.22 0.44 0.31 -1.26 -4.84 118.33 112.93 2wko n VAL 103 Ca 0.06 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.82 2wko n VAL 103 Cb 0.25 -1.29 0.10 0.00 -0.91 0.00 0.00 33.84 31.98 2wko n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2wko s ILE 104 N -2.27 3.22 0.04 2.52 -4.36 -1.26 -4.84 121.20 114.26 2wko s ILE 104 Ca -0.19 0.40 -0.18 0.00 -0.26 0.00 0.00 60.65 60.41 2wko s ILE 104 Cb 0.06 -2.85 0.04 0.00 1.25 0.00 0.00 42.46 40.96 2wko s ILE 104 CO 0.29 -0.52 0.42 -0.55 0.24 0.00 0.00 174.94 174.82 2wko s SER 105 N -3.34 -0.29 -0.02 4.36 0.15 -1.03 -4.54 113.70 108.99 2wko s SER 105 Ca 0.62 0.02 0.22 0.00 0.70 0.00 0.00 55.95 57.50 2wko s SER 105 Cb -0.18 0.43 0.65 0.00 -1.71 0.00 0.00 66.02 65.21 2wko s SER 105 CO 0.56 -0.66 1.55 0.18 1.20 0.00 0.00 173.24 176.07 2wko n LEU 106 N 0.52 4.01 -3.63 3.45 4.77 -1.26 -1.68 117.00 123.17 2wko n LEU 106 Ca -0.19 -2.01 -0.08 0.00 -0.03 0.00 0.00 56.01 53.70 2wko n LEU 106 Cb 0.60 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2wko n LEU 106 CO 0.20 0.95 0.52 -0.94 -1.33 0.00 0.00 177.39 176.79 2wko s SER 107 N -0.98 -0.37 0.30 -1.43 1.04 -1.26 -4.88 113.70 106.11 2wko s SER 107 Ca 0.49 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2wko s SER 107 Cb 0.26 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.97 2wko s SER 107 CO 0.32 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2wko n GLY 108 N -0.40 -0.80 0.23 7.32 0.00 -1.26 -4.10 105.19 106.18 2wko n GLY 108 Ca -0.10 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2wko n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wko h ASP 109 N 0.00 0.00 -0.57 1.61 3.32 -2.01 -2.58 116.42 116.20 2wko h ASP 109 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2wko h ASP 109 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2wko h ASP 109 CO 0.00 0.18 0.02 1.41 -1.72 0.00 0.00 179.24 179.13 2wko n HIS 110 N -3.36 2.04 -1.74 4.55 8.25 -1.26 -4.99 115.22 118.70 2wko n HIS 110 Ca 0.00 -0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 56.31 2wko n HIS 110 Cb 0.39 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 2wko n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wko n ILE 112 N 4.16 0.00 -1.88 0.00 -5.35 -0.68 -4.94 119.36 110.67 2wko n ILE 112 Ca 0.16 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 2wko n ILE 112 Cb 0.36 1.29 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 2wko n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2wko s ILE 113 N -1.30 2.35 0.00 7.28 1.01 -1.26 -1.56 121.20 127.72 2wko s ILE 113 Ca 0.17 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2wko s ILE 113 Cb 0.12 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2wko s ILE 113 CO 0.21 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2wko n GLY 114 N 2.57 0.93 4.03 6.18 0.00 0.11 -4.98 105.19 114.03 2wko n GLY 114 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2wko n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wko s ARG 115 N -0.37 2.16 -0.16 1.61 0.52 -0.60 -2.08 118.95 120.03 2wko s ARG 115 Ca 0.00 -1.52 -0.03 0.00 -0.52 0.00 0.00 55.73 53.66 2wko s ARG 115 Cb 0.00 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 2wko s ARG 115 CO 0.00 -1.00 -0.06 0.99 0.02 0.00 0.00 175.30 175.25 2wko s THR 116 N -2.78 3.60 -0.05 0.02 2.01 -1.14 0.09 115.64 117.39 2wko s THR 116 Ca 0.63 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 2wko s THR 116 Cb -0.06 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2wko s THR 116 CO 0.40 0.49 0.47 -0.22 -0.69 0.00 0.00 174.62 175.07 2wko s LEU 117 N 0.50 4.38 -0.02 4.42 2.96 -0.28 0.04 118.68 130.67 2wko s LEU 117 Ca -0.05 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 2wko s LEU 117 Cb -0.15 -2.69 -0.00 0.00 0.50 0.00 0.00 46.19 43.85 2wko s LEU 117 CO 0.03 0.14 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.42 2wko s VAL 118 N -0.16 0.82 -0.09 1.68 1.01 -0.35 -1.74 120.40 121.57 2wko s VAL 118 Ca 0.26 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2wko s VAL 118 Cb -0.16 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2wko s VAL 118 CO 0.13 0.25 -0.17 0.54 0.00 0.00 0.00 175.10 175.84 2wko s VAL 119 N 0.06 2.73 0.28 2.92 0.11 -0.68 -1.69 120.40 124.14 2wko s VAL 119 Ca -0.01 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 2wko s VAL 119 Cb -0.07 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2wko s VAL 119 CO 0.00 0.55 0.23 -1.00 -3.33 0.00 0.00 175.10 171.56 2wko s HIS 120 N -0.02 3.05 0.20 1.54 3.76 0.40 -0.99 115.29 123.23 2wko s HIS 120 Ca -0.05 -0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 2wko s HIS 120 Cb -0.14 -1.54 0.21 0.00 1.11 0.00 0.00 32.58 32.22 2wko s HIS 120 CO 0.04 0.41 1.79 1.49 -0.85 0.00 0.00 174.74 177.62 2wko h GLU 121 N 1.40 0.55 0.00 1.40 4.81 -0.94 -3.37 114.58 118.43 2wko h GLU 121 Ca -0.47 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 2wko h GLU 121 Cb 1.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2wko h GLU 121 CO 0.60 0.36 -0.08 0.36 -0.73 0.00 0.00 179.01 179.52 2wko n LYS 122 N -4.86 0.74 -1.90 1.92 2.85 -0.58 -4.88 118.16 111.45 2wko n LYS 122 Ca 0.07 -0.62 -0.41 0.00 -1.05 0.00 0.00 58.31 56.30 2wko n LYS 122 Cb 0.18 0.36 -0.02 0.00 -0.65 0.00 0.00 35.03 34.90 2wko n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wko s ALA 123 N -2.21 3.69 -0.06 0.58 0.00 -1.04 -1.44 121.76 121.28 2wko s ALA 123 Ca 0.04 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 2wko s ALA 123 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2wko s ALA 123 CO 0.03 -0.85 1.41 0.34 0.00 0.00 0.00 175.76 176.69 2wko s ASP 124 N 0.48 6.85 0.00 0.00 -1.08 -1.26 -3.99 116.67 117.67 2wko s ASP 124 Ca 0.62 2.01 0.11 0.00 -0.52 0.00 0.00 52.55 54.77 2wko s ASP 124 Cb -0.45 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.12 2wko s ASP 124 CO 0.44 -0.77 1.28 -0.90 0.52 0.00 0.00 175.17 175.75 2wko n ASP 125 N 6.11 0.00 -1.69 -0.34 5.68 0.61 -4.89 116.55 122.02 2wko n ASP 125 Ca 0.14 -1.31 -0.17 0.00 -0.50 0.00 0.00 54.79 52.96 2wko n ASP 125 Cb 0.44 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2wko n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2wko n LEU 126 N -0.71 -1.58 -0.05 -2.12 4.77 -1.26 -2.07 117.00 113.98 2wko n LEU 126 Ca 0.08 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 2wko n LEU 126 Cb 0.04 -2.42 -0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2wko n LEU 126 CO 0.06 -0.40 -0.01 0.61 -1.33 0.00 0.00 177.39 176.33 2wko n GLY 127 N -0.99 0.35 0.95 -0.72 0.00 -1.25 -3.27 105.19 100.26 2wko n GLY 127 Ca -0.19 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.87 2wko n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wko n LYS 128 N -1.47 3.09 0.19 1.61 5.02 -0.88 -4.59 118.16 121.13 2wko n LYS 128 Ca -0.01 -2.78 0.14 0.00 -2.02 0.00 0.00 58.31 53.64 2wko n LYS 128 Cb 0.21 -1.81 0.44 0.00 -0.02 0.00 0.00 35.03 33.85 2wko n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wko h GLY 129 N 2.04 0.00 0.00 0.72 0.00 -1.89 -3.47 103.07 100.46 2wko h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wko h GLY 129 CO 0.22 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.37 2wko n GLY 130 N 0.60 0.87 3.56 4.60 0.00 -1.26 -5.00 105.19 108.56 2wko n GLY 130 Ca 0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2wko n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wko s ASN 131 N -2.69 0.42 0.14 1.61 6.03 -1.26 -5.05 114.94 114.14 2wko s ASN 131 Ca 0.00 -1.24 -0.10 0.00 -1.03 0.00 0.00 52.86 50.49 2wko s ASN 131 Cb 0.00 0.66 -0.05 0.00 -3.03 0.00 0.00 41.25 38.83 2wko s ASN 131 CO 0.00 -1.29 1.43 -0.08 -2.03 0.00 0.00 177.10 175.13 2wko h GLU 132 N 2.16 0.85 -0.77 3.55 4.81 -1.99 -2.72 114.58 120.46 2wko h GLU 132 Ca -0.28 -0.52 0.09 0.00 -0.13 0.00 0.00 59.36 58.52 2wko h GLU 132 Cb 1.25 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 2wko h GLU 132 CO 0.38 1.16 0.42 1.49 -0.73 0.00 0.00 179.01 181.73 2wko h GLU 133 N 0.66 0.70 -0.80 1.92 4.57 -1.99 -0.53 114.58 119.12 2wko h GLU 133 Ca 0.02 -0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2wko h GLU 133 Cb 1.12 -0.16 -0.09 0.00 -0.16 0.00 0.00 28.75 29.46 2wko h GLU 133 CO 0.12 0.46 0.39 1.03 -1.18 0.00 0.00 179.01 179.83 2wko h SER 134 N 0.72 0.48 0.68 1.04 0.87 -1.83 0.17 113.55 115.67 2wko h SER 134 Ca 0.37 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2wko h SER 134 Cb 0.35 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2wko h SER 134 CO -0.25 0.23 0.00 0.35 -0.53 0.00 0.00 176.83 176.63 2wko n THR 135 N -4.88 0.52 -0.11 2.23 -2.24 -0.26 -1.34 114.28 108.20 2wko n THR 135 Ca 0.15 0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.86 2wko n THR 135 Cb 0.38 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 2wko n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wko n LYS 136 N -1.47 0.54 0.00 -0.78 4.81 -0.01 -1.55 118.16 119.70 2wko n LYS 136 Ca 0.06 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2wko n LYS 136 Cb 0.23 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2wko n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2wko n THR 137 N -4.30 0.00 -1.04 3.15 -2.24 0.40 -4.64 114.28 105.61 2wko n THR 137 Ca -0.35 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.11 2wko n THR 137 Cb 0.70 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 70.05 2wko n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wko n GLY 138 N 0.42 0.44 3.14 3.38 0.00 -0.45 -3.83 105.19 108.29 2wko n GLY 138 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2wko n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wko n ASN 139 N -0.11 -5.25 -0.13 1.61 3.02 -1.26 -0.29 115.26 112.85 2wko n ASN 139 Ca -0.01 -0.32 0.14 0.00 -0.03 0.00 0.00 54.58 54.36 2wko n ASN 139 Cb 0.18 -4.27 0.58 0.00 -0.61 0.00 0.00 39.78 35.66 2wko n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wko n ALA 140 N -3.55 2.80 0.00 5.41 0.00 -1.25 -4.75 120.51 119.17 2wko n ALA 140 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2wko n ALA 140 Cb 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wko n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wko n GLY 141 N 1.29 -1.23 3.82 0.00 0.00 -1.26 -1.53 105.19 106.28 2wko n GLY 141 Ca 0.14 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 2wko n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wko s SER 142 N -4.00 4.30 -0.36 1.61 1.04 -1.26 -4.64 113.70 110.39 2wko s SER 142 Ca 0.00 1.09 -0.15 0.00 0.48 0.00 0.00 55.95 57.37 2wko s SER 142 Cb 0.00 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.37 2wko s SER 142 CO 0.00 -2.07 0.34 -0.13 0.98 0.00 0.00 173.24 172.37 2wko s ARG 143 N -5.29 3.43 0.06 4.02 0.52 -1.26 -0.77 118.95 119.67 2wko s ARG 143 Ca 0.62 -0.56 -0.07 0.00 -0.52 0.00 0.00 55.73 55.19 2wko s ARG 143 Cb -0.14 -3.84 -0.30 0.00 0.52 0.00 0.00 34.95 31.19 2wko s ARG 143 CO 0.53 -0.57 1.10 -0.07 0.02 0.00 0.00 175.30 176.31 2wko h LEU 144 N 8.73 0.52 -7.07 2.53 3.38 -1.37 -3.48 115.31 118.56 2wko h LEU 144 Ca -0.29 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.08 2wko h LEU 144 Cb 1.14 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 2wko h LEU 144 CO 0.70 1.44 0.15 0.00 0.09 0.00 0.00 178.44 180.82 2wko s ALA 145 N -2.64 -1.52 0.22 1.53 0.00 -1.17 -4.04 121.76 114.14 2wko s ALA 145 Ca -0.05 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 2wko s ALA 145 Cb 0.06 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.82 2wko s ALA 145 CO 0.90 -0.64 0.50 0.00 0.00 0.00 0.00 175.76 176.51 2wko s GLY 147 N -2.95 -0.37 0.13 0.00 0.00 -0.71 -0.84 107.32 102.58 2wko s GLY 147 Ca 0.16 0.63 -0.25 0.00 0.00 0.00 0.00 44.72 45.25 2wko s GLY 147 CO 0.03 0.34 0.78 0.14 0.00 0.00 0.00 173.10 174.39 2wko s VAL 148 N -2.01 4.48 -0.30 1.40 1.01 -1.26 -1.12 120.40 122.59 2wko s VAL 148 Ca -0.08 1.70 -0.26 0.00 0.00 0.00 0.00 61.98 63.33 2wko s VAL 148 Cb -0.01 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2wko s VAL 148 CO 0.02 0.47 0.94 -0.63 0.00 0.00 0.00 175.10 175.89 2wko s ILE 149 N -0.78 4.66 0.16 2.22 1.01 0.11 -4.54 121.20 124.04 2wko s ILE 149 Ca 0.37 1.51 0.10 0.00 0.00 0.00 0.00 60.65 62.63 2wko s ILE 149 Cb -0.22 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 2wko s ILE 149 CO 0.25 -0.34 -0.19 -0.83 0.00 0.00 0.00 174.94 173.83 2wko s GLY 150 N 1.59 1.69 0.24 6.18 0.00 -0.10 0.10 107.32 117.01 2wko s GLY 150 Ca 0.39 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.32 2wko s GLY 150 CO 0.13 -1.49 1.43 -0.42 0.00 0.00 0.00 173.10 172.75 2wko s ILE 151 N -1.43 2.73 0.26 0.90 1.01 -1.26 -1.23 121.20 122.18 2wko s ILE 151 Ca 0.20 0.61 0.12 0.00 0.00 0.00 0.00 60.65 61.57 2wko s ILE 151 Cb -0.09 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2wko s ILE 151 CO 0.11 0.09 -0.20 0.00 0.00 0.00 0.00 174.94 174.94 2wko s ALA 152 N 0.10 2.72 -2.00 9.38 0.00 -0.69 -4.84 121.76 126.44 2wko s ALA 152 Ca 0.60 -1.82 0.20 0.00 0.00 0.00 0.00 51.96 50.93 2wko s ALA 152 Cb -0.41 -0.29 1.18 0.00 0.00 0.00 0.00 23.12 23.60 2wko s ALA 152 CO 0.42 0.31 1.57 0.94 0.00 0.00 0.00 175.76 179.00