#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khy s GLU 3 N 0.00 0.75 -0.08 4.33 2.02 0.02 -4.33 118.70 121.41 3khy s GLU 3 Ca 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 54.97 54.11 3khy s GLU 3 Cb 0.00 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.53 3khy s GLU 3 CO 0.00 0.15 -0.19 0.42 0.02 0.00 0.00 175.26 175.66 3khy s ILE 4 N -1.34 2.59 -0.25 -1.63 -1.09 0.46 -0.68 121.20 119.25 3khy s ILE 4 Ca -0.04 -0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 57.34 3khy s ILE 4 Cb -0.10 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.74 3khy s ILE 4 CO 0.02 0.56 0.50 -0.22 -1.23 0.00 0.00 174.94 174.57 3khy s LEU 5 N -0.11 4.07 -0.18 2.97 2.96 -0.80 -1.08 118.68 126.52 3khy s LEU 5 Ca -0.03 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.37 3khy s LEU 5 Cb -0.14 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3khy s LEU 5 CO 0.04 -0.25 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.12 3khy s VAL 6 N 2.11 3.95 0.03 1.68 1.01 0.11 -0.90 120.40 128.39 3khy s VAL 6 Ca 0.21 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3khy s VAL 6 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3khy s VAL 6 CO 0.09 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.69 3khy s LEU 7 N 0.75 2.15 -0.32 3.92 1.43 0.26 -1.17 118.68 125.70 3khy s LEU 7 Ca -0.00 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3khy s LEU 7 Cb -0.14 -0.94 0.09 0.00 0.03 0.00 0.00 46.19 45.24 3khy s LEU 7 CO 0.02 0.16 0.05 0.21 0.23 0.00 0.00 176.35 177.02 3khy s ASN 8 N -1.07 4.42 -0.42 2.29 2.47 0.03 -1.05 114.94 121.60 3khy s ASN 8 Ca 0.07 -1.86 -0.20 0.00 0.42 0.00 0.00 52.86 51.29 3khy s ASN 8 Cb -0.08 -1.33 0.02 0.00 -1.45 0.00 0.00 41.25 38.41 3khy s ASN 8 CO 0.01 -0.37 0.60 0.00 -3.72 0.00 0.00 177.10 173.62 3khy n GLY 10 N 5.01 1.86 0.32 0.00 0.00 0.18 -3.47 105.19 109.10 3khy n GLY 10 Ca -0.03 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 3khy n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khy h SER 11 N 0.05 0.84 0.00 1.61 4.64 -1.92 -3.25 113.55 115.51 3khy h SER 11 Ca -0.27 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3khy h SER 11 Cb 1.24 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3khy h SER 11 CO 0.38 0.75 -0.17 -1.54 -0.87 0.00 0.00 176.83 175.38 3khy n SER 12 N -4.32 1.34 -3.65 4.97 3.41 -1.26 -4.95 113.62 109.16 3khy n SER 12 Ca 0.06 -2.46 -0.14 0.00 -0.26 0.00 0.00 58.87 56.06 3khy n SER 12 Cb 0.17 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3khy n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3khy s SER 13 N -1.84 -0.36 -0.15 4.04 1.04 -1.23 -1.34 113.70 113.85 3khy s SER 13 Ca 0.16 0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 3khy s SER 13 Cb 0.14 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.72 3khy s SER 13 CO 0.01 -0.59 -0.03 -0.69 0.98 0.00 0.00 173.24 172.93 3khy s VAL 14 N -1.78 0.87 -0.10 5.02 1.01 -0.61 0.49 120.40 125.30 3khy s VAL 14 Ca -0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3khy s VAL 14 Cb -0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3khy s VAL 14 CO 0.03 0.11 0.38 -0.75 0.00 0.00 0.00 175.10 174.87 3khy s LYS 15 N 1.74 4.15 0.05 2.72 2.20 -0.44 -0.50 119.74 129.66 3khy s LYS 15 Ca 0.01 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 3khy s LYS 15 Cb -0.15 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3khy s LYS 15 CO -0.07 0.37 -0.04 -0.59 -0.36 0.00 0.00 175.35 174.65 3khy s PHE 16 N -0.01 0.55 -0.08 4.03 -0.12 -0.48 -0.79 117.98 121.08 3khy s PHE 16 Ca 0.21 -0.84 -0.17 0.00 -0.05 0.00 0.00 56.93 56.09 3khy s PHE 16 Cb -0.15 -0.37 0.04 0.00 -0.63 0.00 0.00 43.02 41.91 3khy s PHE 16 CO 0.09 -0.25 0.40 0.00 -0.05 0.00 0.00 175.22 175.41 3khy s ALA 17 N -2.96 -1.02 -0.27 1.99 0.00 -0.32 -0.67 121.76 118.51 3khy s ALA 17 Ca 0.00 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 3khy s ALA 17 Cb 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.87 3khy s ALA 17 CO -0.06 -0.25 0.03 -1.17 0.00 0.00 0.00 175.76 174.32 3khy s LEU 18 N -0.65 3.55 -0.02 0.00 2.96 0.28 0.06 118.68 124.85 3khy s LEU 18 Ca -0.07 -0.67 0.05 0.00 -0.22 0.00 0.00 54.13 53.21 3khy s LEU 18 Cb -0.04 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3khy s LEU 18 CO 0.03 -0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.12 3khy s ILE 19 N 1.46 1.38 -0.44 6.68 1.01 -0.24 -0.38 121.20 130.67 3khy s ILE 19 Ca 0.03 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 3khy s ILE 19 Cb -0.17 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3khy s ILE 19 CO 0.00 0.39 0.45 0.21 0.00 0.00 0.00 174.94 176.00 3khy s ASN 20 N -0.31 6.19 0.51 3.58 3.84 -0.26 -0.40 114.94 128.08 3khy s ASN 20 Ca 0.04 -0.79 0.25 0.00 0.21 0.00 0.00 52.86 52.58 3khy s ASN 20 Cb -0.08 -2.23 1.36 0.00 -0.55 0.00 0.00 41.25 39.76 3khy s ASN 20 CO -0.00 -0.62 2.05 -0.65 -2.79 0.00 0.00 177.10 175.08 3khy h PRO 21 N 8.76 0.00 0.22 0.43 0.11 -1.88 0.41 132.00 140.05 3khy h PRO 21 Ca -0.27 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.51 3khy h PRO 21 Cb 1.11 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.24 3khy h PRO 21 CO 0.82 0.14 -1.51 1.25 -0.21 0.00 0.00 178.00 178.49 3khy h HIS 22 N 0.00 0.83 0.00 0.65 2.76 -1.92 -3.32 115.15 114.15 3khy h HIS 22 Ca -0.00 -0.61 0.00 0.00 -2.20 0.00 0.00 60.37 57.56 3khy h HIS 22 Cb 0.35 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.28 3khy h HIS 22 CO 0.00 1.54 -1.05 0.25 -1.30 0.00 0.00 177.93 177.37 3khy n THR 23 N -3.65 0.10 -1.03 6.26 -2.24 -1.13 -4.96 114.28 107.64 3khy n THR 23 Ca -0.17 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 3khy n THR 23 Cb 1.09 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3khy n THR 23 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3khy n SER 24 N -1.83 -4.01 -4.75 3.42 7.64 0.14 -4.99 113.62 109.24 3khy n SER 24 Ca 0.02 0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.54 3khy n SER 24 Cb 0.41 -1.59 -0.06 0.00 -1.01 0.00 0.00 64.21 61.97 3khy n SER 24 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3khy s GLN 25 N -0.92 4.31 -0.34 1.43 -0.21 -1.10 -4.86 119.66 117.97 3khy s GLN 25 Ca 0.00 0.64 -0.23 0.00 0.02 0.00 0.00 55.36 55.79 3khy s GLN 25 Cb 0.00 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3khy s GLN 25 CO 0.00 0.28 0.77 0.45 -2.12 0.00 0.00 175.29 174.68 3khy s SER 26 N 0.14 6.59 -0.09 5.90 0.15 -1.26 -1.11 113.70 124.02 3khy s SER 26 Ca 0.30 0.47 -0.13 0.00 0.70 0.00 0.00 55.95 57.28 3khy s SER 26 Cb -0.17 -2.40 -0.28 0.00 -1.71 0.00 0.00 66.02 61.46 3khy s SER 26 CO 0.15 -0.67 0.57 -0.07 1.20 0.00 0.00 173.24 174.42 3khy h LEU 27 N 9.60 0.47 -7.72 3.45 4.07 -1.10 -3.47 115.31 120.60 3khy h LEU 27 Ca -0.25 -0.89 -0.19 0.00 0.08 0.00 0.00 57.88 56.63 3khy h LEU 27 Cb 1.10 -0.15 -0.25 0.00 1.08 0.00 0.00 40.66 42.43 3khy h LEU 27 CO 0.89 1.71 -0.61 -0.69 -1.08 0.00 0.00 178.44 178.66 3khy s VAL 28 N -2.52 0.03 0.19 1.22 1.01 -1.21 -4.62 120.40 114.50 3khy s VAL 28 Ca -0.19 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3khy s VAL 28 Cb 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 3khy s VAL 28 CO 0.80 -0.15 -0.03 0.42 0.00 0.00 0.00 175.10 176.14 3khy s THR 29 N -0.45 0.96 0.11 3.92 -4.23 -0.62 -0.56 115.64 114.76 3khy s THR 29 Ca -0.05 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 3khy s THR 29 Cb -0.03 -2.14 0.08 0.00 1.34 0.00 0.00 72.50 71.75 3khy s THR 29 CO 0.00 -0.49 1.11 -0.83 -0.54 0.00 0.00 174.62 173.87 3khy s GLY 30 N -3.23 -0.12 -0.25 3.99 0.00 0.16 -0.27 107.32 107.60 3khy s GLY 30 Ca 0.24 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.90 3khy s GLY 30 CO 0.05 1.79 0.56 -2.27 0.00 0.00 0.00 173.10 173.23 3khy s LEU 31 N -3.26 -0.87 -0.06 0.66 2.96 -0.64 -1.39 118.68 116.08 3khy s LEU 31 Ca 0.19 1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 55.26 3khy s LEU 31 Cb -0.00 1.93 -0.05 0.00 0.50 0.00 0.00 46.19 48.57 3khy s LEU 31 CO 0.02 -0.22 0.43 0.00 -1.32 0.00 0.00 176.35 175.25 3khy s ALA 32 N 2.49 3.59 0.06 5.97 0.00 0.34 -0.76 121.76 133.45 3khy s ALA 32 Ca -0.06 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3khy s ALA 32 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 3khy s ALA 32 CO -0.17 0.24 -0.09 -1.21 0.00 0.00 0.00 175.76 174.53 3khy s GLU 33 N -0.22 0.67 -1.46 0.00 2.02 -0.15 -1.58 118.70 117.97 3khy s GLU 33 Ca 0.24 -0.92 -0.08 0.00 0.02 0.00 0.00 54.97 54.22 3khy s GLU 33 Cb -0.16 -0.42 0.03 0.00 0.10 0.00 0.00 34.13 33.68 3khy s GLU 33 CO 0.11 0.07 0.89 0.09 0.02 0.00 0.00 175.26 176.44 3khy n ASN 34 N 1.11 -5.86 -4.73 -0.19 3.02 -0.96 -2.07 115.26 105.59 3khy n ASN 34 Ca -0.20 -0.47 -0.42 0.00 -0.03 0.00 0.00 54.58 53.46 3khy n ASN 34 Cb 0.56 -4.68 -0.00 0.00 -0.61 0.00 0.00 39.78 35.05 3khy n ASN 34 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3khy n ILE 35 N -4.70 2.03 -1.50 2.41 5.41 -0.45 -2.06 119.36 120.51 3khy n ILE 35 Ca -0.03 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.07 3khy n ILE 35 Cb 0.58 -1.71 -0.06 0.00 -0.71 0.00 0.00 39.64 37.74 3khy n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3khy n ALA 36 N 0.34 -0.24 -2.55 -1.39 0.00 0.32 -4.91 120.51 112.08 3khy n ALA 36 Ca 0.04 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 3khy n ALA 36 Cb 0.37 -1.58 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 3khy n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3khy s THR 37 N -2.55 1.50 0.49 0.00 -4.23 -0.87 -4.85 115.64 105.12 3khy s THR 37 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3khy s THR 37 Cb 0.00 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.32 3khy s THR 37 CO 0.00 0.00 2.09 0.11 -0.54 0.00 0.00 174.62 176.28 3khy h LYS 38 N 1.90 0.15 -0.65 3.99 6.56 -1.92 0.24 116.57 126.84 3khy h LYS 38 Ca -0.42 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3khy h LYS 38 Cb 1.25 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 3khy h LYS 38 CO 0.74 0.10 0.00 0.09 -2.06 0.00 0.00 179.45 178.32 3khy n ASN 39 N -4.49 4.82 -4.69 0.86 3.02 -1.26 -4.05 115.26 109.47 3khy n ASN 39 Ca 0.02 -2.70 -0.44 0.00 -0.03 0.00 0.00 54.58 51.43 3khy n ASN 39 Cb 0.21 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 3khy n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khy s LYS 41 N 0.34 0.93 -0.13 0.00 -2.85 -0.88 -1.36 119.74 115.80 3khy s LYS 41 Ca 0.73 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 55.58 3khy s LYS 41 Cb -0.61 0.43 0.01 0.00 -2.06 0.00 0.00 37.83 35.60 3khy s LYS 41 CO 0.42 -0.31 -0.20 0.08 0.10 0.00 0.00 175.35 175.44 3khy s VAL 42 N -1.91 1.90 -0.12 1.79 1.01 0.44 -0.98 120.40 122.52 3khy s VAL 42 Ca -0.08 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 3khy s VAL 42 Cb -0.02 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3khy s VAL 42 CO 0.02 0.52 0.30 -0.69 0.00 0.00 0.00 175.10 175.25 3khy s VAL 43 N 0.91 5.27 -0.11 2.92 1.01 0.06 -0.60 120.40 129.88 3khy s VAL 43 Ca -0.06 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.54 3khy s VAL 43 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3khy s VAL 43 CO -0.03 0.45 -0.23 -0.36 0.00 0.00 0.00 175.10 174.94 3khy s PHE 44 N -0.03 2.50 -0.30 5.22 0.08 0.47 -1.62 117.98 124.30 3khy s PHE 44 Ca 0.18 -1.07 0.03 0.00 0.12 0.00 0.00 56.93 56.18 3khy s PHE 44 Cb -0.14 -1.68 0.08 0.00 -0.57 0.00 0.00 43.02 40.71 3khy s PHE 44 CO 0.06 -0.45 0.00 0.15 -0.10 0.00 0.00 175.22 174.88 3khy s LYS 45 N 0.47 1.56 0.00 0.44 1.02 0.63 -0.28 119.74 123.58 3khy s LYS 45 Ca -0.16 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.34 3khy s LYS 45 Cb -0.17 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3khy s LYS 45 CO 0.06 -0.81 0.00 0.00 -0.92 0.00 0.00 175.35 173.69 3khy n ALA 46 N 4.45 0.00 -0.20 5.17 0.00 -1.26 -1.59 120.51 127.08 3khy n ALA 46 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 3khy n ALA 46 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 3khy n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3khy h GLU 47 N 0.00 0.89 -5.07 0.00 4.39 -1.96 -3.45 114.58 109.38 3khy h GLU 47 Ca 0.00 -0.21 -0.40 0.00 0.34 0.00 0.00 59.36 59.09 3khy h GLU 47 Cb 0.00 -0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 28.39 3khy h GLU 47 CO 0.00 0.83 -0.62 -1.01 -1.16 0.00 0.00 179.01 177.05 3khy s HIS 48 N -5.31 1.70 -0.00 4.33 3.76 -1.26 -5.14 115.29 113.38 3khy s HIS 48 Ca -0.13 -1.03 -0.24 0.00 -0.15 0.00 0.00 55.06 53.51 3khy s HIS 48 Cb 0.12 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.73 3khy s HIS 48 CO 0.81 -0.13 0.74 0.21 -0.85 0.00 0.00 174.74 175.52 3khy s LYS 49 N -3.93 4.47 -0.06 1.40 2.20 -1.26 -4.39 119.74 118.16 3khy s LYS 49 Ca 0.35 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.98 3khy s LYS 49 Cb 0.08 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 3khy s LYS 49 CO 0.13 0.19 -0.13 0.42 -0.36 0.00 0.00 175.35 175.60 3khy s ILE 50 N 0.30 1.17 -0.20 5.43 1.01 0.62 -5.00 121.20 124.53 3khy s ILE 50 Ca 0.39 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3khy s ILE 50 Cb -0.19 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 3khy s ILE 50 CO 0.21 0.36 -0.09 -0.69 0.00 0.00 0.00 174.94 174.73 3khy s VAL 51 N 0.62 3.03 -0.24 2.92 1.01 -1.26 -0.39 120.40 126.08 3khy s VAL 51 Ca -0.14 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3khy s VAL 51 Cb -0.16 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3khy s VAL 51 CO 0.04 0.46 -0.04 -0.54 0.00 0.00 0.00 175.10 175.02 3khy s LYS 52 N 1.34 3.06 0.23 2.72 1.02 0.23 -4.97 119.74 123.37 3khy s LYS 52 Ca 0.04 -0.84 -0.17 0.00 0.02 0.00 0.00 55.97 55.03 3khy s LYS 52 Cb -0.14 -3.04 -0.08 0.00 -0.52 0.00 0.00 37.83 34.05 3khy s LYS 52 CO -0.05 -0.33 0.68 0.71 -0.92 0.00 0.00 175.35 175.44 3khy s TYR 53 N 1.40 3.57 -0.44 3.18 2.02 -1.26 -0.42 117.35 125.39 3khy s TYR 53 Ca 0.03 1.26 0.06 0.00 -0.37 0.00 0.00 57.07 58.05 3khy s TYR 53 Cb -0.16 -2.53 0.21 0.00 -0.40 0.00 0.00 41.96 39.08 3khy s TYR 53 CO -0.03 0.30 0.57 -0.11 -1.57 0.00 0.00 175.55 174.71 3khy n LEU 54 N 0.46 -1.45 -4.71 -1.29 7.94 -0.46 -4.96 117.00 112.52 3khy n LEU 54 Ca -0.01 -3.92 -0.60 0.00 -1.11 0.00 0.00 56.01 50.36 3khy n LEU 54 Cb 0.52 0.67 -0.08 0.00 0.53 0.00 0.00 43.42 45.06 3khy n LEU 54 CO 0.43 1.96 1.30 -0.62 -1.11 0.00 0.00 177.39 179.34 3khy n GLU 55 N 2.30 0.83 -1.82 1.96 1.02 -1.26 -0.44 120.64 123.23 3khy n GLU 55 Ca 0.21 0.30 -0.19 0.00 -0.02 0.00 0.00 57.16 57.47 3khy n GLU 55 Cb 0.54 -1.94 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 3khy n GLU 55 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3khy n ASN 56 N 5.14 -5.33 -4.76 1.62 5.03 0.79 -4.94 115.26 112.80 3khy n ASN 56 Ca 0.28 0.30 -0.41 0.00 0.87 0.00 0.00 54.58 55.63 3khy n ASN 56 Cb 0.08 -4.46 -0.01 0.00 -1.02 0.00 0.00 39.78 34.37 3khy n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3khy n GLY 57 N -0.78 1.28 3.82 7.41 0.00 0.42 -4.64 105.19 112.70 3khy n GLY 57 Ca -0.20 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3khy n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khy s SER 58 N 0.20 4.63 0.35 1.61 1.04 -1.26 -0.52 113.70 119.74 3khy s SER 58 Ca 0.59 1.29 0.06 0.00 0.48 0.00 0.00 55.95 58.36 3khy s SER 58 Cb -0.48 -2.03 0.73 0.00 0.10 0.00 0.00 66.02 64.33 3khy s SER 58 CO 0.56 -1.88 1.94 0.22 0.98 0.00 0.00 173.24 175.06 3khy h TYR 59 N -1.03 0.81 -0.60 5.02 3.20 -1.94 0.58 116.97 123.01 3khy h TYR 59 Ca -0.47 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.33 3khy h TYR 59 Cb 1.27 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3khy h TYR 59 CO 0.47 0.41 -0.00 -0.22 -1.64 0.00 0.00 178.16 177.18 3khy h LYS 60 N 0.78 1.07 -0.89 1.82 3.64 -2.00 -2.38 116.57 118.60 3khy h LYS 60 Ca 0.34 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3khy h LYS 60 Cb 0.33 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3khy h LYS 60 CO -0.12 1.04 0.59 -0.44 -2.27 0.00 0.00 179.45 178.25 3khy h ASP 61 N 0.97 1.02 -0.22 4.20 3.32 -1.45 -1.33 116.42 122.92 3khy h ASP 61 Ca 0.17 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3khy h ASP 61 Cb 0.56 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3khy h ASP 61 CO 0.03 0.73 0.03 0.58 -1.72 0.00 0.00 179.24 178.90 3khy h VAL 62 N 1.20 0.89 -0.66 -1.35 2.07 -0.73 -2.86 116.25 114.81 3khy h VAL 62 Ca 0.33 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 3khy h VAL 62 Cb -0.13 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3khy h VAL 62 CO -0.07 0.02 0.24 -0.26 0.02 0.00 0.00 177.57 177.52 3khy h PHE 63 N 0.12 1.00 0.00 1.57 0.04 -0.99 0.18 116.94 118.86 3khy h PHE 63 Ca 0.10 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3khy h PHE 63 Cb 0.10 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.95 3khy h PHE 63 CO -0.15 0.78 0.00 0.39 -0.60 0.00 0.00 178.31 178.73 3khy n GLU 64 N -4.29 0.40 0.00 1.51 1.02 -0.54 -0.40 120.64 118.34 3khy n GLU 64 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3khy n GLU 64 Cb 0.19 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3khy n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3khy n LEU 66 N 0.77 0.00 -0.11 -4.62 7.94 0.05 -0.15 117.00 120.88 3khy n LEU 66 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3khy n LEU 66 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.15 3khy n LEU 66 CO 0.00 0.00 1.00 0.50 -1.11 0.00 0.00 177.39 177.78 3khy h LYS 67 N 0.00 0.42 -0.60 1.96 3.64 -0.98 -1.90 116.57 119.11 3khy h LYS 67 Ca 0.00 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3khy h LYS 67 Cb 0.00 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3khy h LYS 67 CO 0.00 0.28 0.28 -0.44 -2.27 0.00 0.00 179.45 177.30 3khy h ASP 68 N 0.43 0.38 -0.80 4.20 3.32 -0.80 0.41 116.42 123.56 3khy h ASP 68 Ca 0.14 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3khy h ASP 68 Cb 0.00 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3khy h ASP 68 CO -0.07 0.24 0.43 0.15 -1.72 0.00 0.00 179.24 178.27 3khy h PHE 69 N 0.52 1.11 -0.01 4.55 3.04 -1.72 0.21 116.94 124.64 3khy h PHE 69 Ca 0.28 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.08 3khy h PHE 69 Cb 0.25 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 3khy h PHE 69 CO -0.12 0.78 -0.55 -0.07 -2.02 0.00 0.00 178.31 176.34 3khy h LEU 70 N 1.12 0.02 0.17 0.59 3.38 -0.56 -1.29 115.31 118.73 3khy h LEU 70 Ca 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3khy h LEU 70 Cb 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3khy h LEU 70 CO -0.04 0.56 -0.08 0.58 0.09 0.00 0.00 178.44 179.55 3khy h VAL 71 N 0.01 0.61 -0.94 1.22 2.07 -0.47 0.38 116.25 119.13 3khy h VAL 71 Ca -0.00 -1.11 0.20 0.00 0.82 0.00 0.00 66.70 66.60 3khy h VAL 71 Cb 0.97 1.07 -0.11 0.00 -1.52 0.00 0.00 31.29 31.70 3khy h VAL 71 CO 0.07 0.17 0.51 -0.33 0.02 0.00 0.00 177.57 178.02 3khy h GLU 72 N -0.96 0.57 -0.65 1.57 5.08 -0.60 -0.14 114.58 119.45 3khy h GLU 72 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3khy h GLU 72 Cb 0.46 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3khy h GLU 72 CO 0.04 0.38 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 3khy n ASN 73 N -4.89 4.47 -2.83 1.42 3.02 -0.49 -4.95 115.26 111.02 3khy n ASN 73 Ca 0.23 -2.41 -0.22 0.00 -0.03 0.00 0.00 54.58 52.15 3khy n ASN 73 Cb 0.61 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 39.24 3khy n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3khy n LYS 74 N 1.05 -4.25 -0.01 3.52 5.02 -0.07 -4.89 118.16 118.54 3khy n LYS 74 Ca 0.24 0.91 -0.17 0.00 -2.02 0.00 0.00 58.31 57.27 3khy n LYS 74 Cb 0.84 -5.68 -0.14 0.00 -0.02 0.00 0.00 35.03 30.02 3khy n LYS 74 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3khy n HIS 75 N -4.41 1.10 -0.22 2.13 8.25 0.12 -4.52 115.22 117.67 3khy n HIS 75 Ca -0.13 0.28 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 3khy n HIS 75 Cb 0.63 -1.16 0.13 0.00 1.12 0.00 0.00 29.99 30.71 3khy n HIS 75 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3khy h LEU 76 N 0.04 0.15 -2.63 2.41 6.46 -1.48 0.17 115.31 120.43 3khy h LEU 76 Ca -0.39 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 3khy h LEU 76 Cb 2.03 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 42.06 3khy h LEU 76 CO 0.08 0.08 0.02 -0.33 -0.62 0.00 0.00 178.44 177.67 3khy h GLU 77 N 0.36 0.00 0.00 1.25 5.08 -1.85 -1.77 114.58 117.65 3khy h GLU 77 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3khy h GLU 77 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3khy h GLU 77 CO -0.37 0.00 -0.64 1.63 -1.00 0.00 0.00 179.01 178.63 3khy n LYS 78 N -3.54 0.03 -2.68 2.33 5.02 0.58 -4.91 118.16 114.99 3khy n LYS 78 Ca -0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 3khy n LYS 78 Cb 0.10 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3khy n LYS 78 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3khy s ILE 79 N -3.02 4.77 -0.13 -0.18 1.01 -0.67 -0.80 121.20 122.18 3khy s ILE 79 Ca 0.10 2.01 0.13 0.00 0.00 0.00 0.00 60.65 62.89 3khy s ILE 79 Cb 0.17 -4.29 -0.19 0.00 0.01 0.00 0.00 42.46 38.16 3khy s ILE 79 CO 0.74 0.09 0.34 0.55 0.00 0.00 0.00 174.94 176.66 3khy n VAL 80 N 4.21 0.00 -3.71 2.92 3.14 0.14 -4.89 118.33 120.13 3khy n VAL 80 Ca 0.07 -0.28 -0.05 0.00 -2.96 0.00 0.00 64.34 61.13 3khy n VAL 80 Cb 0.50 0.36 -0.02 0.00 -1.06 0.00 0.00 33.84 33.62 3khy n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3khy s ALA 81 N -2.78 -1.65 -0.12 1.55 0.00 -1.25 -4.26 121.76 113.24 3khy s ALA 81 Ca -0.03 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3khy s ALA 81 Cb 0.09 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3khy s ALA 81 CO 0.55 -0.98 -0.22 0.42 0.00 0.00 0.00 175.76 175.53 3khy s ILE 82 N -3.32 1.98 -0.17 0.00 1.01 -0.76 -1.90 121.20 118.05 3khy s ILE 82 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 3khy s ILE 82 Cb -0.02 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3khy s ILE 82 CO 0.00 0.54 -0.01 -0.83 0.00 0.00 0.00 174.94 174.64 3khy s GLY 83 N 0.67 1.74 -0.16 6.18 0.00 -0.08 -0.87 107.32 114.80 3khy s GLY 83 Ca -0.11 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 3khy s GLY 83 CO 0.02 0.03 -0.05 0.30 0.00 0.00 0.00 173.10 173.39 3khy s HIS 84 N 0.53 2.98 0.20 1.90 3.76 0.61 -0.58 115.29 124.69 3khy s HIS 84 Ca -0.02 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 3khy s HIS 84 Cb -0.14 -1.96 -0.09 0.00 1.11 0.00 0.00 32.58 31.51 3khy s HIS 84 CO 0.02 -0.13 1.30 0.50 -0.85 0.00 0.00 174.74 175.58 3khy s ARG 85 N 0.50 4.39 -0.11 1.40 3.52 -0.22 -0.86 118.95 127.58 3khy s ARG 85 Ca -0.04 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 3khy s ARG 85 Cb -0.15 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 3khy s ARG 85 CO 0.03 -0.24 -0.10 0.08 -0.81 0.00 0.00 175.30 174.25 3khy s VAL 86 N 0.11 1.17 0.26 7.11 1.01 -0.24 -4.70 120.40 125.12 3khy s VAL 86 Ca 0.56 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3khy s VAL 86 Cb -0.36 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 34.91 3khy s VAL 86 CO 0.38 0.38 1.65 -0.37 0.00 0.00 0.00 175.10 177.15 3khy h VAL 87 N 6.09 1.29 -3.26 2.92 -1.51 -1.94 -0.84 116.25 119.01 3khy h VAL 87 Ca -0.31 -1.47 -0.40 0.00 -1.23 0.00 0.00 66.70 63.29 3khy h VAL 87 Cb 1.15 1.52 -0.39 0.00 -2.13 0.00 0.00 31.29 31.44 3khy h VAL 87 CO 0.45 0.46 -0.75 -2.28 -1.23 0.00 0.00 177.57 174.22 3khy s HIS 88 N -4.29 0.18 -0.61 5.19 2.46 -1.26 -3.79 115.29 113.17 3khy s HIS 88 Ca -0.07 0.10 0.12 0.00 0.47 0.00 0.00 55.06 55.68 3khy s HIS 88 Cb 0.13 -0.57 0.35 0.00 -0.13 0.00 0.00 32.58 32.36 3khy s HIS 88 CO 0.80 -0.26 1.28 0.41 -2.47 0.00 0.00 174.74 174.50 3khy n GLY 89 N 5.27 3.22 7.00 1.59 0.00 -1.26 -4.86 105.19 116.14 3khy n GLY 89 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3khy n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khy n GLY 90 N 0.08 1.65 0.57 -0.02 0.00 -1.26 -2.18 105.19 104.02 3khy n GLY 90 Ca 0.14 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.85 3khy n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3khy n GLN 91 N 8.14 1.79 0.02 1.61 6.02 -1.26 -4.19 117.38 129.51 3khy n GLN 91 Ca 0.00 -1.15 -0.08 0.00 -0.01 0.00 0.00 57.00 55.76 3khy n GLN 91 Cb 0.00 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 29.86 3khy n GLN 91 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3khy h TYR 92 N 2.80 0.62 -3.30 1.08 0.05 -1.85 -3.44 116.97 112.94 3khy h TYR 92 Ca 0.00 -0.22 -0.64 0.00 0.05 0.00 0.00 58.73 57.93 3khy h TYR 92 Cb 0.60 -0.12 -0.36 0.00 1.01 0.00 0.00 36.73 37.86 3khy h TYR 92 CO 0.00 0.92 -0.83 -0.06 -1.05 0.00 0.00 178.16 177.15 3khy s PHE 93 N -4.00 2.57 -1.32 4.88 0.08 -1.07 -4.93 117.98 114.20 3khy s PHE 93 Ca -0.07 -1.61 0.12 0.00 0.12 0.00 0.00 56.93 55.49 3khy s PHE 93 Cb 0.12 -1.75 0.23 0.00 -0.57 0.00 0.00 43.02 41.05 3khy s PHE 93 CO 0.83 -0.76 1.10 -1.13 -0.10 0.00 0.00 175.22 175.16 3khy n SER 94 N 4.65 2.58 -3.79 1.36 3.41 -1.26 -4.26 113.62 116.31 3khy n SER 94 Ca -0.17 -1.77 -0.06 0.00 -0.26 0.00 0.00 58.87 56.61 3khy n SER 94 Cb 0.48 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 3khy n SER 94 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3khy s LYS 95 N -1.03 1.65 0.66 4.33 -2.85 -1.26 -4.64 119.74 116.60 3khy s LYS 95 Ca 0.21 -0.92 -0.15 0.00 -1.00 0.00 0.00 55.97 54.10 3khy s LYS 95 Cb 0.12 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.45 3khy s LYS 95 CO 0.17 -0.76 1.11 -1.12 0.10 0.00 0.00 175.35 174.86 3khy s SER 96 N -2.94 5.06 -0.04 0.03 0.01 -1.26 -4.85 113.70 109.72 3khy s SER 96 Ca 0.12 2.01 -0.08 0.00 1.31 0.00 0.00 55.95 59.31 3khy s SER 96 Cb -0.05 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.64 3khy s SER 96 CO 0.06 -1.66 0.19 0.68 0.41 0.00 0.00 173.24 172.92 3khy s VAL 97 N -2.33 0.04 0.41 3.43 -7.23 -0.98 -4.99 120.40 108.76 3khy s VAL 97 Ca 0.67 -0.35 -0.26 0.00 -1.81 0.00 0.00 61.98 60.23 3khy s VAL 97 Cb -0.21 -0.39 -0.09 0.00 0.56 0.00 0.00 36.38 36.25 3khy s VAL 97 CO 0.42 -0.19 1.40 -0.76 -0.31 0.00 0.00 175.10 175.65 3khy s LEU 98 N -0.69 4.21 -0.18 1.32 1.43 -1.26 -1.16 118.68 122.34 3khy s LEU 98 Ca -0.08 2.86 -0.29 0.00 -1.03 0.00 0.00 54.13 55.59 3khy s LEU 98 Cb -0.05 -3.85 -0.00 0.00 0.03 0.00 0.00 46.19 42.33 3khy s LEU 98 CO 0.01 -0.98 1.10 -0.63 0.23 0.00 0.00 176.35 176.09 3khy s ILE 99 N -1.19 4.57 0.35 -0.59 -1.09 0.12 -4.75 121.20 118.61 3khy s ILE 99 Ca 0.57 1.88 -0.03 0.00 -2.23 0.00 0.00 60.65 60.85 3khy s ILE 99 Cb -0.43 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 36.25 3khy s ILE 99 CO 0.56 -0.13 0.50 0.54 -1.23 0.00 0.00 174.94 175.18 3khy s ASN 100 N 1.39 0.92 0.28 3.58 2.20 -1.26 -4.75 114.94 117.30 3khy s ASN 100 Ca 0.48 -1.49 0.02 0.00 -0.94 0.00 0.00 52.86 50.93 3khy s ASN 100 Cb -0.18 0.68 0.63 0.00 -2.00 0.00 0.00 41.25 40.38 3khy s ASN 100 CO 0.11 -1.33 1.75 0.00 -2.94 0.00 0.00 177.10 174.69 3khy h ALA 101 N 2.09 1.42 0.63 3.54 0.00 -1.98 0.52 119.26 125.47 3khy h ALA 101 Ca -0.28 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3khy h ALA 101 Cb 1.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3khy h ALA 101 CO 0.39 -0.12 -0.30 -0.44 0.00 0.00 0.00 179.25 178.77 3khy h ASP 102 N 0.62 -0.72 -0.48 0.00 3.45 -1.96 -1.77 116.42 115.57 3khy h ASP 102 Ca 0.51 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.93 3khy h ASP 102 Cb 0.80 0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.73 3khy h ASP 102 CO -0.40 -0.40 0.22 0.77 -1.57 0.00 0.00 179.24 177.86 3khy h SER 103 N -1.03 0.68 -0.99 6.45 4.64 -1.76 -1.83 113.55 119.70 3khy h SER 103 Ca -0.09 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3khy h SER 103 Cb 0.69 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 3khy h SER 103 CO 0.14 0.60 0.66 -0.07 -0.87 0.00 0.00 176.83 177.29 3khy h LEU 104 N 0.74 1.13 -0.46 5.97 3.38 -0.86 0.06 115.31 125.27 3khy h LEU 104 Ca 0.18 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3khy h LEU 104 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3khy h LEU 104 CO -0.02 0.81 0.27 -0.33 0.09 0.00 0.00 178.44 179.26 3khy h GLU 105 N 1.33 0.52 -0.31 1.13 5.08 -0.47 -0.92 114.58 120.94 3khy h GLU 105 Ca 0.37 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3khy h GLU 105 Cb -0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3khy h GLU 105 CO -0.09 0.34 0.13 0.87 -1.00 0.00 0.00 179.01 179.26 3khy h LYS 106 N 0.54 0.46 -0.82 2.33 1.57 -1.00 -1.67 116.57 117.98 3khy h LYS 106 Ca 0.18 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3khy h LYS 106 Cb 0.02 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 3khy h LYS 106 CO -0.09 0.46 0.48 0.82 -0.57 0.00 0.00 179.45 180.55 3khy h ILE 107 N 0.35 0.96 -0.21 1.86 2.04 -0.86 -1.33 117.51 120.32 3khy h ILE 107 Ca 0.10 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3khy h ILE 107 Cb 0.17 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3khy h ILE 107 CO -0.01 0.15 -0.00 0.50 0.00 0.00 0.00 178.15 178.79 3khy h LYS 108 N 0.84 0.31 0.00 2.37 3.64 -0.69 -1.43 116.57 121.62 3khy h LYS 108 Ca 0.38 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3khy h LYS 108 Cb 0.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3khy h LYS 108 CO -0.21 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 3khy n ALA 109 N -2.49 1.81 1.08 5.00 0.00 -0.52 -2.37 120.51 123.02 3khy n ALA 109 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3khy n ALA 109 Cb 0.19 -1.36 0.33 0.00 0.00 0.00 0.00 19.45 18.61 3khy n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khy h ILE 111 N 3.22 0.64 -0.22 0.00 1.08 -1.52 -0.52 117.51 120.20 3khy h ILE 111 Ca 0.00 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 3khy h ILE 111 Cb 0.70 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3khy h ILE 111 CO 0.00 0.05 0.17 0.00 -0.69 0.00 0.00 178.15 177.68 3khy h ALA 112 N 1.48 2.12 0.00 1.87 0.00 -1.84 0.11 119.26 123.00 3khy h ALA 112 Ca 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3khy h ALA 112 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3khy h ALA 112 CO -0.40 -0.29 -0.32 -0.07 0.00 0.00 0.00 179.25 178.17 3khy h LEU 113 N 0.00 0.00 -5.63 0.00 3.38 -1.40 -3.38 115.31 108.28 3khy h LEU 113 Ca 0.11 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.64 3khy h LEU 113 Cb 0.45 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.91 3khy h LEU 113 CO -0.00 0.32 -0.87 0.00 0.09 0.00 0.00 178.44 177.98 3khy n ALA 114 N -2.20 0.98 0.31 1.53 0.00 -0.29 -4.90 120.51 115.94 3khy n ALA 114 Ca 0.02 -2.63 0.20 0.00 0.00 0.00 0.00 53.44 51.02 3khy n ALA 114 Cb 0.60 -1.01 0.97 0.00 0.00 0.00 0.00 19.45 20.00 3khy n ALA 114 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3khy h PRO 115 N 4.06 0.00 -0.00 0.00 0.13 -1.03 -1.68 132.00 133.47 3khy h PRO 115 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3khy h PRO 115 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3khy h PRO 115 CO 0.40 0.01 -0.87 1.28 -0.23 0.00 0.00 178.00 178.60 3khy n LEU 116 N -3.15 1.14 -0.02 1.56 4.77 -1.26 -4.63 117.00 115.41 3khy n LEU 116 Ca -0.01 -0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 55.43 3khy n LEU 116 Cb 0.18 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3khy n LEU 116 CO 0.24 0.26 -0.60 1.41 -1.33 0.00 0.00 177.39 177.37 3khy n HIS 117 N -1.24 0.00 -0.11 -1.77 8.25 -0.89 -4.63 115.22 114.84 3khy n HIS 117 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.53 3khy n HIS 117 Cb 0.35 -0.12 0.31 0.00 1.12 0.00 0.00 29.99 31.66 3khy n HIS 117 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3khy h ASN 118 N -0.05 0.67 -0.47 0.41 4.21 -1.60 -0.24 115.58 118.52 3khy h ASN 118 Ca -0.07 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 3khy h ASN 118 Cb 1.09 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.10 3khy h ASN 118 CO -0.03 0.53 0.29 -0.65 -1.29 0.00 0.00 177.43 176.28 3khy h PRO 119 N 0.78 0.64 -0.55 0.81 0.11 -1.82 -1.04 132.00 130.92 3khy h PRO 119 Ca 0.20 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 3khy h PRO 119 Cb -0.02 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 3khy h PRO 119 CO -0.04 0.46 0.09 0.00 -0.21 0.00 0.00 178.00 178.30 3khy h ALA 120 N 1.14 1.12 -0.30 -0.75 0.00 -1.54 -0.23 119.26 118.69 3khy h ALA 120 Ca 0.17 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3khy h ALA 120 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3khy h ALA 120 CO -0.03 0.58 0.10 0.45 0.00 0.00 0.00 179.25 180.35 3khy h HIS 121 N 0.84 0.18 -0.16 0.00 3.86 -0.87 -0.95 115.15 118.05 3khy h HIS 121 Ca 0.17 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3khy h HIS 121 Cb 0.37 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3khy h HIS 121 CO 0.02 0.08 0.07 0.82 0.86 0.00 0.00 177.93 179.78 3khy h ILE 122 N 0.23 1.14 -0.84 2.45 2.04 -0.68 -2.03 117.51 119.83 3khy h ILE 122 Ca 0.13 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3khy h ILE 122 Cb 0.10 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3khy h ILE 122 CO -0.14 0.13 0.52 -0.33 0.00 0.00 0.00 178.15 178.33 3khy h GLU 123 N 0.12 0.93 -0.81 2.37 5.08 -0.96 -1.17 114.58 120.14 3khy h GLU 123 Ca 0.05 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3khy h GLU 123 Cb 0.14 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3khy h GLU 123 CO -0.01 0.61 0.53 0.78 -1.00 0.00 0.00 179.01 179.93 3khy h GLY 124 N 0.95 1.14 1.01 -3.84 0.00 -0.98 -0.08 103.07 101.27 3khy h GLY 124 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3khy h GLY 124 CO -0.17 0.40 0.49 -2.22 0.00 0.00 0.00 176.54 175.05 3khy h ILE 125 N 1.08 1.22 -0.43 2.60 2.04 -0.56 -1.54 117.51 121.92 3khy h ILE 125 Ca 0.30 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3khy h ILE 125 Cb -0.11 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 3khy h ILE 125 CO -0.07 0.22 -0.05 0.03 0.00 0.00 0.00 178.15 178.28 3khy h ARG 126 N 1.08 0.79 -0.78 2.37 3.08 -0.51 -0.53 114.38 119.88 3khy h ARG 126 Ca 0.29 -0.28 0.11 0.00 0.07 0.00 0.00 59.98 60.17 3khy h ARG 126 Cb -0.07 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.84 3khy h ARG 126 CO -0.06 0.89 0.40 0.74 -1.07 0.00 0.00 179.97 180.87 3khy h PHE 127 N 0.62 0.72 -0.18 3.04 0.04 -0.82 -1.84 116.94 118.52 3khy h PHE 127 Ca 0.12 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 3khy h PHE 127 Cb 0.56 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3khy h PHE 127 CO 0.04 0.24 -0.33 0.00 -0.60 0.00 0.00 178.31 177.66 3khy h GLN 129 N 0.32 0.76 -0.05 0.00 4.20 -0.35 0.15 115.11 120.14 3khy h GLN 129 Ca 0.04 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 3khy h GLN 129 Cb 0.75 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.41 3khy h GLN 129 CO 0.06 0.68 -0.41 1.96 -0.67 0.00 0.00 178.83 180.45 3khy h GLN 130 N 0.73 0.36 0.06 1.46 4.20 -0.81 -3.26 115.11 117.86 3khy h GLN 130 Ca 0.17 -0.32 -0.32 0.00 0.06 0.00 0.00 58.65 58.24 3khy h GLN 130 Cb 0.25 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3khy h GLN 130 CO -0.00 0.98 -1.78 0.82 -0.67 0.00 0.00 178.83 178.18 3khy h ILE 131 N -0.16 0.82 -2.22 2.54 2.04 -0.99 -3.38 117.51 116.17 3khy h ILE 131 Ca -0.04 -2.60 -0.58 0.00 1.00 0.00 0.00 64.86 62.65 3khy h ILE 131 Cb 1.09 2.50 -0.42 0.00 -0.74 0.00 0.00 36.82 39.26 3khy h ILE 131 CO 0.08 0.69 -0.72 0.49 0.00 0.00 0.00 178.15 178.69 3khy n PHE 132 N -3.26 3.27 0.29 1.37 3.72 0.51 -4.94 117.46 118.42 3khy n PHE 132 Ca -0.22 -3.99 0.15 0.00 -0.05 0.00 0.00 57.45 53.34 3khy n PHE 132 Cb 1.05 -0.49 0.90 0.00 -0.94 0.00 0.00 39.48 40.00 3khy n PHE 132 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3khy h PRO 133 N 3.30 0.00 0.00 -1.08 0.13 -1.67 -2.34 132.00 130.34 3khy h PRO 133 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3khy h PRO 133 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3khy h PRO 133 CO 0.77 0.01 -0.03 0.93 -0.23 0.00 0.00 178.00 179.45 3khy h GLU 134 N 0.00 0.00 -5.96 0.86 5.08 -1.91 -3.46 114.58 109.19 3khy h GLU 134 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3khy h GLU 134 Cb 0.04 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3khy h GLU 134 CO 0.00 0.00 -0.07 -0.51 -1.00 0.00 0.00 179.01 177.43 3khy s LEU 135 N -5.78 4.37 0.62 1.33 1.43 -0.88 -5.06 118.68 114.72 3khy s LEU 135 Ca 0.08 1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 54.02 3khy s LEU 135 Cb 0.07 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3khy s LEU 135 CO 0.66 0.09 1.19 -2.84 0.23 0.00 0.00 176.35 175.68 3khy s PRO 136 N -0.00 2.81 0.04 1.29 0.02 -1.26 -4.85 135.00 133.04 3khy s PRO 136 Ca 0.29 1.75 0.05 0.00 0.02 0.00 0.00 61.00 63.12 3khy s PRO 136 Cb -0.17 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 3khy s PRO 136 CO 0.14 -1.31 -0.16 -0.65 -0.33 0.00 0.00 177.00 174.69 3khy s GLN 137 N -3.53 1.07 -0.01 5.54 -0.21 -1.26 -1.83 119.66 119.43 3khy s GLN 137 Ca 0.75 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 55.38 3khy s GLN 137 Cb -0.29 -1.10 -0.01 0.00 1.00 0.00 0.00 33.01 32.61 3khy s GLN 137 CO 0.36 0.28 -0.13 0.08 -2.12 0.00 0.00 175.29 173.76 3khy s VAL 138 N -0.80 1.03 -0.17 1.09 1.01 -0.05 0.12 120.40 122.63 3khy s VAL 138 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3khy s VAL 138 Cb -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3khy s VAL 138 CO 0.01 0.28 0.04 0.00 0.00 0.00 0.00 175.10 175.43 3khy s ALA 139 N -0.33 3.34 -0.18 5.51 0.00 -0.31 -0.28 121.76 129.50 3khy s ALA 139 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3khy s ALA 139 Cb -0.05 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.28 3khy s ALA 139 CO -0.00 0.24 -0.16 0.08 0.00 0.00 0.00 175.76 175.91 3khy s VAL 140 N 0.22 1.89 -0.16 0.00 1.01 -0.04 -2.31 120.40 121.01 3khy s VAL 140 Ca 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3khy s VAL 140 Cb -0.13 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3khy s VAL 140 CO 0.01 0.41 0.19 -0.36 0.00 0.00 0.00 175.10 175.35 3khy s PHE 141 N 1.33 3.49 -0.15 5.22 0.08 -1.26 -1.08 117.98 125.62 3khy s PHE 141 Ca 0.03 0.48 0.26 0.00 0.12 0.00 0.00 56.93 57.82 3khy s PHE 141 Cb -0.14 -2.15 1.30 0.00 -0.57 0.00 0.00 43.02 41.45 3khy s PHE 141 CO -0.11 0.42 1.80 -0.44 -0.10 0.00 0.00 175.22 176.79 3khy h ASP 142 N 6.11 0.00 0.04 1.36 3.32 -1.24 -2.59 116.42 123.42 3khy h ASP 142 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3khy h ASP 142 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3khy h ASP 142 CO 0.70 0.00 -1.58 0.35 -1.72 0.00 0.00 179.24 177.00 3khy n THR 143 N -2.44 0.02 -0.15 0.35 -2.24 -1.25 -0.63 114.28 107.93 3khy n THR 143 Ca -0.00 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 3khy n THR 143 Cb 0.13 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3khy n THR 143 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khy h ALA 144 N 2.39 0.58 -0.77 6.98 0.00 -1.64 -2.56 119.26 124.24 3khy h ALA 144 Ca 0.00 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3khy h ALA 144 Cb 0.81 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3khy h ALA 144 CO 0.00 0.04 0.51 0.35 0.00 0.00 0.00 179.25 180.15 3khy h PHE 145 N 0.61 0.43 -0.01 0.00 3.57 -1.82 -1.13 116.94 118.60 3khy h PHE 145 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3khy h PHE 145 Cb -0.05 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3khy h PHE 145 CO -0.04 0.15 -0.01 0.72 -2.23 0.00 0.00 178.31 176.91 3khy n HIS 146 N -4.47 0.00 0.81 0.41 8.25 -0.96 -3.89 115.22 115.37 3khy n HIS 146 Ca 0.15 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 3khy n HIS 146 Cb 0.58 -0.01 0.43 0.00 1.12 0.00 0.00 29.99 32.11 3khy n HIS 146 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3khy n GLN 147 N -0.49 0.25 -2.65 -0.41 1.13 -0.43 -4.90 117.38 109.88 3khy n GLN 147 Ca 0.21 0.12 -0.42 0.00 -1.94 0.00 0.00 57.00 54.98 3khy n GLN 147 Cb 0.22 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 3khy n GLN 147 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3khy s THR 148 N -2.55 4.00 0.24 5.09 -4.23 -1.25 -5.07 115.64 111.87 3khy s THR 148 Ca 0.16 0.41 0.09 0.00 -1.18 0.00 0.00 61.69 61.17 3khy s THR 148 Cb 0.11 -4.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.13 3khy s THR 148 CO 0.26 -1.54 -0.15 -2.16 -0.54 0.00 0.00 174.62 170.49 3khy s PRO 150 N 4.98 1.48 0.29 3.99 0.04 -1.26 -4.79 135.00 139.74 3khy s PRO 150 Ca 0.34 -1.68 -0.02 0.00 0.04 0.00 0.00 61.00 59.68 3khy s PRO 150 Cb -0.10 -1.35 0.43 0.00 0.04 0.00 0.00 34.50 33.52 3khy s PRO 150 CO 0.18 0.21 1.94 0.77 0.04 0.00 0.00 177.00 180.14 3khy h SER 151 N 2.42 0.93 0.39 6.66 0.02 -1.98 -0.35 113.55 121.63 3khy h SER 151 Ca -0.39 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3khy h SER 151 Cb 1.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3khy h SER 151 CO 0.62 0.71 0.00 0.00 -1.14 0.00 0.00 176.83 177.02 3khy n TYR 152 N -4.38 0.37 -0.12 3.45 0.18 -1.26 -1.04 117.16 114.35 3khy n TYR 152 Ca 0.08 0.16 -0.19 0.00 1.88 0.00 0.00 57.90 59.84 3khy n TYR 152 Cb 0.06 -0.76 -0.11 0.00 -0.38 0.00 0.00 39.34 38.15 3khy n TYR 152 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 3khy n ILE 153 N -1.85 1.41 0.09 -3.48 5.41 -0.47 -4.69 119.36 115.78 3khy n ILE 153 Ca 0.02 -0.51 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 3khy n ILE 153 Cb 0.13 -1.45 -0.11 0.00 -0.71 0.00 0.00 39.64 37.50 3khy n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3khy h ALA 154 N -0.16 0.18 -2.73 -1.39 0.00 -0.89 -3.46 119.26 110.82 3khy h ALA 154 Ca -0.57 -0.84 -0.50 0.00 0.00 0.00 0.00 54.91 53.00 3khy h ALA 154 Cb 1.80 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.61 3khy h ALA 154 CO -0.14 0.96 0.49 -1.21 0.00 0.00 0.00 179.25 179.34 3khy s GLU 155 N -2.80 4.29 0.61 0.00 2.02 -0.21 -0.84 118.70 121.77 3khy s GLU 155 Ca -0.04 1.80 -0.06 0.00 0.02 0.00 0.00 54.97 56.68 3khy s GLU 155 Cb 0.08 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.47 3khy s GLU 155 CO 0.87 -0.10 0.93 0.71 0.02 0.00 0.00 175.26 177.69 3khy s TYR 156 N -1.35 3.21 -1.23 1.61 2.02 -1.26 -4.91 117.35 115.43 3khy s TYR 156 Ca 0.52 0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 57.76 3khy s TYR 156 Cb -0.30 -2.83 0.18 0.00 -0.40 0.00 0.00 41.96 38.62 3khy s TYR 156 CO 0.38 -0.93 1.65 0.00 -1.57 0.00 0.00 175.55 175.08 3khy n ALA 157 N -2.66 4.74 -2.36 3.71 0.00 -1.26 -4.93 120.51 117.75 3khy n ALA 157 Ca 0.05 -4.34 -0.20 0.00 0.00 0.00 0.00 53.44 48.96 3khy n ALA 157 Cb 0.58 -2.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.00 3khy n ALA 157 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3khy s ILE 158 N 0.53 0.42 0.26 0.00 -4.36 -1.26 -5.12 121.20 111.68 3khy s ILE 158 Ca 0.40 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.48 3khy s ILE 158 Cb 0.04 -2.52 -0.13 0.00 1.25 0.00 0.00 42.46 41.10 3khy s ILE 158 CO 0.01 0.00 1.34 -2.65 0.24 0.00 0.00 174.94 173.88 3khy n PRO 159 N -0.62 1.96 -0.33 0.37 -0.02 -1.26 -4.84 135.00 130.27 3khy n PRO 159 Ca 0.00 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.31 3khy n PRO 159 Cb 0.65 -2.31 0.28 0.00 -0.02 0.00 0.00 33.50 32.09 3khy n PRO 159 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3khy h TYR 160 N 3.68 -0.00 -0.43 6.00 5.03 -1.99 -1.39 116.97 127.87 3khy h TYR 160 Ca -0.45 0.07 -0.05 0.00 2.58 0.00 0.00 58.73 60.87 3khy h TYR 160 Cb 1.28 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.70 3khy h TYR 160 CO 0.55 -0.39 0.04 1.49 -1.32 0.00 0.00 178.16 178.53 3khy h GLU 161 N 0.04 0.67 -0.46 1.82 4.81 -1.98 -0.92 114.58 118.56 3khy h GLU 161 Ca 0.57 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.52 3khy h GLU 161 Cb 1.16 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3khy h GLU 161 CO -0.86 0.66 -0.22 -0.07 -0.73 0.00 0.00 179.01 177.79 3khy h LEU 162 N 0.64 0.99 -0.09 1.64 3.38 -1.62 -0.41 115.31 119.83 3khy h LEU 162 Ca 0.14 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3khy h LEU 162 Cb 0.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3khy h LEU 162 CO 0.01 1.17 0.05 0.74 0.09 0.00 0.00 178.44 180.50 3khy h THR 163 N 0.80 1.06 0.00 0.22 2.02 -1.13 -2.07 112.91 113.82 3khy h THR 163 Ca 0.10 -0.17 -0.34 0.00 0.77 0.00 0.00 66.41 66.77 3khy h THR 163 Cb 0.80 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 3khy h THR 163 CO 0.07 0.06 -2.06 1.41 0.37 0.00 0.00 175.52 175.36 3khy n HIS 164 N -5.00 0.15 -0.25 3.16 8.25 -0.38 -2.33 115.22 118.83 3khy n HIS 164 Ca -0.06 0.07 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3khy n HIS 164 Cb 0.06 -0.92 0.04 0.00 1.12 0.00 0.00 29.99 30.29 3khy n HIS 164 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3khy h LYS 165 N -1.00 1.13 -0.24 -0.41 3.64 -1.28 -3.25 116.57 115.17 3khy h LYS 165 Ca -0.52 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 3khy h LYS 165 Cb 1.44 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3khy h LYS 165 CO -0.31 1.01 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 3khy n HIS 166 N -4.22 0.30 -2.26 1.91 8.25 -1.07 -4.98 115.22 113.15 3khy n HIS 166 Ca 0.05 -0.23 -0.19 0.00 -0.26 0.00 0.00 57.72 57.09 3khy n HIS 166 Cb 0.28 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 3khy n HIS 166 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3khy n ASN 167 N 0.92 -5.40 -4.59 0.41 3.02 -0.98 -4.94 115.26 103.70 3khy n ASN 167 Ca 0.13 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3khy n ASN 167 Cb 0.44 -4.47 -0.05 0.00 -0.61 0.00 0.00 39.78 35.10 3khy n ASN 167 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khy s ILE 168 N -2.91 4.70 0.17 2.41 1.01 -0.80 -4.97 121.20 120.82 3khy s ILE 168 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 61.41 3khy s ILE 168 Cb 0.00 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.31 3khy s ILE 168 CO 0.00 -0.44 0.98 0.00 0.00 0.00 0.00 174.94 175.49 3khy s ARG 169 N 3.17 1.27 -0.01 2.79 1.70 -1.26 -4.15 118.95 122.46 3khy s ARG 169 Ca 0.33 -0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 3khy s ARG 169 Cb -0.13 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 3khy s ARG 169 CO 0.17 -0.59 1.23 0.21 -1.08 0.00 0.00 175.30 175.24 3khy s LYS 170 N -2.87 4.37 -0.10 3.89 2.20 -0.02 -3.57 119.74 123.63 3khy s LYS 170 Ca 0.15 1.75 0.09 0.00 -0.36 0.00 0.00 55.97 57.61 3khy s LYS 170 Cb -0.02 -3.49 -0.13 0.00 -1.51 0.00 0.00 37.83 32.69 3khy s LYS 170 CO 0.04 -0.40 0.03 0.66 -0.36 0.00 0.00 175.35 175.32 3khy n TYR 171 N 4.78 0.00 -0.91 4.03 4.01 0.37 -4.86 117.16 124.58 3khy n TYR 171 Ca 0.11 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.92 3khy n TYR 171 Cb 0.46 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 3khy n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3khy n GLY 172 N 2.37 -2.08 0.00 2.72 0.00 -0.01 -4.69 105.19 103.50 3khy n GLY 172 Ca -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3khy n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khy n ALA 173 N -1.39 0.00 -1.54 4.61 0.00 -1.26 -4.64 120.51 116.28 3khy n ALA 173 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3khy n ALA 173 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3khy n ALA 173 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3khy n HIS 174 N 0.00 -0.51 -0.30 0.00 8.25 -1.25 -4.85 115.22 116.57 3khy n HIS 174 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3khy n HIS 174 Cb 0.00 -2.64 0.26 0.00 1.12 0.00 0.00 29.99 28.73 3khy n HIS 174 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3khy h GLY 175 N 0.00 1.32 1.72 -1.41 0.00 -1.18 -0.78 103.07 102.75 3khy h GLY 175 Ca -0.28 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 3khy h GLY 175 CO 0.40 0.27 -0.41 -0.84 0.00 0.00 0.00 176.54 175.96 3khy h THR 176 N 0.99 1.31 -0.04 4.70 2.02 -1.80 -0.73 112.91 119.36 3khy h THR 176 Ca 0.40 -1.53 -0.13 0.00 0.77 0.00 0.00 66.41 65.93 3khy h THR 176 Cb 0.26 1.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3khy h THR 176 CO -0.16 0.46 -0.46 -1.28 0.37 0.00 0.00 175.52 174.45 3khy h SER 177 N 0.26 0.48 -0.88 4.18 0.87 -1.69 -1.98 113.55 114.79 3khy h SER 177 Ca 0.02 -0.71 0.02 0.00 -1.23 0.00 0.00 61.79 59.90 3khy h SER 177 Cb 0.83 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 3khy h SER 177 CO 0.07 1.11 0.58 0.45 -0.53 0.00 0.00 176.83 178.51 3khy h HIS 178 N -0.12 1.08 0.15 2.24 -0.00 -1.08 0.41 115.15 117.82 3khy h HIS 178 Ca -0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 3khy h HIS 178 Cb 1.15 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3khy h HIS 178 CO 0.14 0.65 -0.07 -0.22 -0.00 0.00 0.00 177.93 178.43 3khy h LYS 179 N 1.13 -0.19 -0.32 2.45 3.64 -1.16 -1.61 116.57 120.51 3khy h LYS 179 Ca 0.34 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 3khy h LYS 179 Cb -0.05 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3khy h LYS 179 CO -0.09 0.14 0.09 -0.92 -2.27 0.00 0.00 179.45 176.40 3khy h TYR 180 N -0.53 0.16 -0.47 1.91 3.20 -1.19 -0.49 116.97 119.56 3khy h TYR 180 Ca -0.02 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 3khy h TYR 180 Cb 0.42 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3khy h TYR 180 CO 0.03 0.06 -0.25 0.28 -1.64 0.00 0.00 178.16 176.64 3khy h VAL 181 N 0.22 1.27 -0.19 1.81 2.07 -0.94 -1.10 116.25 119.38 3khy h VAL 181 Ca 0.15 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 3khy h VAL 181 Cb 0.14 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3khy h VAL 181 CO -0.17 0.49 -0.34 0.77 0.02 0.00 0.00 177.57 178.34 3khy h SER 182 N 0.85 0.40 -0.82 0.57 4.64 -1.18 0.41 113.55 118.42 3khy h SER 182 Ca 0.10 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3khy h SER 182 Cb 0.84 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.78 3khy h SER 182 CO 0.07 0.72 0.45 -0.33 -0.87 0.00 0.00 176.83 176.87 3khy h GLU 183 N 0.33 1.14 -0.45 4.77 5.08 -0.70 -1.67 114.58 123.08 3khy h GLU 183 Ca 0.04 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 3khy h GLU 183 Cb 0.76 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3khy h GLU 183 CO 0.06 0.84 -0.22 1.96 -1.00 0.00 0.00 179.01 180.65 3khy h GLN 184 N 1.14 0.91 -0.74 2.33 1.08 -0.64 -2.77 115.11 116.42 3khy h GLN 184 Ca 0.29 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3khy h GLN 184 Cb 0.04 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 3khy h GLN 184 CO -0.05 1.04 0.40 0.00 -0.95 0.00 0.00 178.83 179.27 3khy h ALA 185 N 0.95 1.32 -0.48 3.87 0.00 -0.72 -1.92 119.26 122.29 3khy h ALA 185 Ca 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3khy h ALA 185 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3khy h ALA 185 CO 0.06 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.96 3khy h ALA 186 N 1.41 1.27 0.00 0.00 0.00 -1.06 -0.76 119.26 120.13 3khy h ALA 186 Ca 0.26 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3khy h ALA 186 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3khy h ALA 186 CO -0.04 0.50 -0.18 0.87 0.00 0.00 0.00 179.25 180.40 3khy h LYS 187 N 0.70 0.00 0.04 0.00 1.57 -1.09 -3.30 116.57 114.50 3khy h LYS 187 Ca 0.15 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.57 3khy h LYS 187 Cb 0.30 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3khy h LYS 187 CO 0.00 0.18 -2.19 -0.89 -0.57 0.00 0.00 179.45 175.98 3khy n ILE 188 N -4.01 1.58 0.00 1.86 5.41 -0.73 -4.86 119.36 118.61 3khy n ILE 188 Ca -0.02 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.04 3khy n ILE 188 Cb 0.26 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 3khy n ILE 188 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3khy n LEU 189 N -3.20 0.46 0.00 1.39 4.77 -0.37 -5.05 117.00 115.01 3khy n LEU 189 Ca -0.35 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3khy n LEU 189 Cb 1.05 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3khy n LEU 189 CO 0.37 -0.41 -0.08 0.35 -1.33 0.00 0.00 177.39 176.29 3khy n THR 190 N -1.81 0.00 0.10 -5.08 -2.24 -1.26 -5.05 114.28 98.94 3khy n THR 190 Ca 0.00 -1.35 -0.01 0.00 -2.27 0.00 0.00 64.05 60.42 3khy n THR 190 Cb 0.00 0.54 0.25 0.00 -2.10 0.00 0.00 70.33 69.02 3khy n THR 190 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3khy h GLN 191 N 0.00 0.22 -7.44 -0.78 4.15 -1.97 -3.45 115.11 105.84 3khy h GLN 191 Ca -0.17 -0.09 -0.46 0.00 0.77 0.00 0.00 58.65 58.70 3khy h GLN 191 Cb 0.68 -0.01 0.12 0.00 0.21 0.00 0.00 27.48 28.48 3khy h GLN 191 CO 0.26 0.57 0.25 -0.65 -1.93 0.00 0.00 178.83 177.33 3khy s GLN 192 N -4.21 1.21 0.93 1.69 1.11 -1.26 -5.07 119.66 114.06 3khy s GLN 192 Ca -0.04 -0.78 -0.11 0.00 0.01 0.00 0.00 55.36 54.44 3khy s GLN 192 Cb 0.14 -2.11 0.15 0.00 -1.01 0.00 0.00 33.01 30.18 3khy s GLN 192 CO 0.76 -1.89 1.09 0.15 0.01 0.00 0.00 175.29 175.42 3khy s LYS 193 N -5.49 0.94 0.29 2.91 -0.14 -1.26 -4.85 119.74 112.15 3khy s LYS 193 Ca 0.70 1.01 -0.28 0.00 -1.36 0.00 0.00 55.97 56.03 3khy s LYS 193 Cb -0.05 -1.76 -0.09 0.00 -1.68 0.00 0.00 37.83 34.25 3khy s LYS 193 CO 0.48 -2.51 1.03 0.00 -0.76 0.00 0.00 175.35 173.59 3khy s ALA 194 N -2.79 3.32 -0.63 5.17 0.00 -1.26 -4.55 121.76 121.01 3khy s ALA 194 Ca 0.65 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.34 3khy s ALA 194 Cb -0.20 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 19.81 3khy s ALA 194 CO 0.58 -0.04 0.45 -0.80 0.00 0.00 0.00 175.76 175.95 3khy s ASN 195 N -1.14 5.18 0.05 0.00 0.01 -1.26 -1.37 114.94 116.41 3khy s ASN 195 Ca 0.46 -2.93 0.00 0.00 -0.71 0.00 0.00 52.86 49.68 3khy s ASN 195 Cb -0.27 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 3khy s ASN 195 CO 0.35 -0.34 -0.04 0.68 -1.51 0.00 0.00 177.10 176.23 3khy s VAL 196 N -0.18 0.34 -0.21 1.60 -7.23 -0.38 -0.45 120.40 113.88 3khy s VAL 196 Ca 0.18 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3khy s VAL 196 Cb -0.20 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3khy s VAL 196 CO -0.03 -0.77 0.03 -0.63 -0.31 0.00 0.00 175.10 173.39 3khy s ILE 197 N -2.93 4.21 -0.22 -0.62 1.01 -0.81 -0.66 121.20 121.18 3khy s ILE 197 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3khy s ILE 197 Cb 0.01 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3khy s ILE 197 CO -0.05 0.41 -0.03 -0.69 0.00 0.00 0.00 174.94 174.57 3khy s VAL 198 N 1.06 3.49 -0.45 2.92 1.01 -0.34 0.19 120.40 128.27 3khy s VAL 198 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3khy s VAL 198 Cb -0.14 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.73 3khy s VAL 198 CO 0.02 0.41 0.34 0.00 0.00 0.00 0.00 175.10 175.87 3khy s ALA 199 N 1.48 3.42 -0.55 5.51 0.00 0.13 -0.98 121.76 130.77 3khy s ALA 199 Ca 0.06 -2.24 -0.21 0.00 0.00 0.00 0.00 51.96 49.57 3khy s ALA 199 Cb -0.14 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.18 3khy s ALA 199 CO -0.02 -1.75 0.79 -1.58 0.00 0.00 0.00 175.76 173.20 3khy s HIS 200 N 1.50 2.90 -0.29 0.00 2.46 -0.01 -0.98 115.29 120.87 3khy s HIS 200 Ca 0.04 -0.41 -0.03 0.00 0.47 0.00 0.00 55.06 55.13 3khy s HIS 200 Cb -0.25 -3.89 0.04 0.00 -0.13 0.00 0.00 32.58 28.36 3khy s HIS 200 CO 0.03 -1.27 -0.00 -0.51 -2.47 0.00 0.00 174.74 170.52 3khy s LEU 201 N 3.30 3.74 0.00 8.88 1.43 0.30 -1.30 118.68 135.03 3khy s LEU 201 Ca 0.21 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 3khy s LEU 201 Cb -0.17 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3khy s LEU 201 CO 0.13 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3khy n GLY 202 N 4.67 4.89 0.18 -3.19 0.00 -1.26 -0.17 105.19 110.31 3khy n GLY 202 Ca -0.14 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 3khy n GLY 202 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khy h ASN 203 N 0.00 0.49 -3.12 1.61 2.35 -1.97 -3.40 115.58 111.54 3khy h ASN 203 Ca 0.00 -0.13 -0.56 0.00 -0.55 0.00 0.00 56.30 55.06 3khy h ASN 203 Cb 0.00 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3khy h ASN 203 CO 0.00 0.49 -0.27 -0.83 -1.65 0.00 0.00 177.43 175.17 3khy s GLY 204 N -2.82 2.08 -0.04 2.83 0.00 -1.26 -2.48 107.32 105.63 3khy s GLY 204 Ca -0.13 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.01 3khy s GLY 204 CO 0.74 -0.51 -0.05 0.00 0.00 0.00 0.00 173.10 173.27 3khy s SER 206 N 0.68 -0.02 0.00 0.00 1.04 -0.42 -4.32 113.70 110.66 3khy s SER 206 Ca -0.09 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 55.93 3khy s SER 206 Cb -0.12 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3khy s SER 206 CO 0.00 -0.71 -0.10 -0.51 0.98 0.00 0.00 173.24 172.90 3khy s ILE 207 N -3.42 0.79 -0.01 -1.02 2.07 -1.26 -0.83 121.20 117.52 3khy s ILE 207 Ca 0.01 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 3khy s ILE 207 Cb 0.02 -0.68 -0.00 0.00 0.13 0.00 0.00 42.46 41.93 3khy s ILE 207 CO -0.09 0.14 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.12 3khy s THR 208 N -0.39 0.59 -0.31 4.00 2.01 -0.15 -1.76 115.64 119.62 3khy s THR 208 Ca 0.02 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 3khy s THR 208 Cb -0.05 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 3khy s THR 208 CO -0.00 0.17 0.42 0.00 -0.69 0.00 0.00 174.62 174.53 3khy s ALA 209 N -0.05 3.52 -0.25 7.40 0.00 -0.28 -1.20 121.76 130.90 3khy s ALA 209 Ca 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 3khy s ALA 209 Cb -0.04 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3khy s ALA 209 CO -0.00 -0.96 -0.01 0.08 0.00 0.00 0.00 175.76 174.87 3khy s VAL 210 N 2.17 3.44 -0.15 0.00 1.01 0.16 -0.82 120.40 126.22 3khy s VAL 210 Ca 0.16 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3khy s VAL 210 Cb -0.16 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3khy s VAL 210 CO 0.11 0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 174.65 3khy s VAL 211 N 1.45 2.79 -1.69 2.92 1.01 0.21 -1.25 120.40 125.85 3khy s VAL 211 Ca 0.03 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3khy s VAL 211 Cb -0.16 -2.18 0.13 0.00 0.00 0.00 0.00 36.38 34.18 3khy s VAL 211 CO -0.02 0.51 0.56 -0.67 0.00 0.00 0.00 175.10 175.49 3khy n ASP 212 N 3.96 -1.81 0.00 3.32 2.03 -1.08 -0.90 116.55 122.07 3khy n ASP 212 Ca -0.19 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.01 3khy n ASP 212 Cb 0.52 -2.31 0.00 0.00 -0.72 0.00 0.00 41.12 38.61 3khy n ASP 212 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3khy n GLY 213 N -1.58 1.70 3.48 0.27 0.00 -0.47 -4.77 105.19 103.82 3khy n GLY 213 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3khy n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khy s LYS 214 N -0.26 2.78 0.17 1.61 1.02 -0.08 -4.97 119.74 120.01 3khy s LYS 214 Ca 0.00 -0.65 -0.32 0.00 0.02 0.00 0.00 55.97 55.02 3khy s LYS 214 Cb 0.00 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3khy s LYS 214 CO 0.00 0.54 1.64 0.45 -0.92 0.00 0.00 175.35 177.06 3khy s SER 215 N -0.49 6.51 -0.01 2.83 0.15 -1.26 -0.62 113.70 120.81 3khy s SER 215 Ca 0.07 2.69 0.04 0.00 0.70 0.00 0.00 55.95 59.45 3khy s SER 215 Cb -0.12 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.53 3khy s SER 215 CO 0.02 -0.89 0.09 0.00 1.20 0.00 0.00 173.24 173.66 3khy n ILE 216 N 4.10 0.04 -3.51 6.45 3.06 -0.00 -4.43 119.36 125.08 3khy n ILE 216 Ca 0.15 -0.11 -0.15 0.00 -2.50 0.00 0.00 62.75 60.13 3khy n ILE 216 Cb 0.38 0.21 -0.05 0.00 0.54 0.00 0.00 39.64 40.72 3khy n ILE 216 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3khy s ASP 217 N -2.65 -0.59 0.16 9.51 -1.08 -1.22 -4.48 116.67 116.31 3khy s ASP 217 Ca -0.02 0.50 -0.20 0.00 -0.52 0.00 0.00 52.55 52.30 3khy s ASP 217 Cb 0.03 0.52 0.05 0.00 -1.46 0.00 0.00 42.92 42.05 3khy s ASP 217 CO 0.18 -0.65 0.55 0.28 0.52 0.00 0.00 175.17 176.05 3khy s THR 218 N -1.81 0.02 -0.32 1.71 -1.32 -1.26 -1.13 115.64 111.53 3khy s THR 218 Ca -0.07 -0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.09 3khy s THR 218 Cb -0.00 -1.18 0.17 0.00 -1.51 0.00 0.00 72.50 69.98 3khy s THR 218 CO 0.03 -0.09 2.18 -1.54 -2.21 0.00 0.00 174.62 172.99 3khy n SER 219 N -0.34 6.41 0.00 8.08 3.41 -0.72 -4.93 113.62 125.52 3khy n SER 219 Ca -0.15 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 3khy n SER 219 Cb 0.64 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 3khy n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khy n GLY 221 N 0.52 3.96 0.24 5.00 0.00 -1.26 -3.25 105.19 110.41 3khy n GLY 221 Ca 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 3khy n GLY 221 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3khy h LEU 222 N 0.00 0.48 -9.63 0.99 5.85 -1.90 0.16 115.31 111.26 3khy h LEU 222 Ca 0.00 0.03 -0.59 0.00 0.84 0.00 0.00 57.88 58.15 3khy h LEU 222 Cb 0.00 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 40.83 3khy h LEU 222 CO 0.00 0.32 -0.53 0.42 -0.34 0.00 0.00 178.44 178.31 3khy s THR 223 N -6.11 0.94 -1.75 1.05 -4.23 -1.26 -4.61 115.64 99.66 3khy s THR 223 Ca -0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3khy s THR 223 Cb 0.15 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3khy s THR 223 CO 0.75 0.00 0.65 -2.65 -0.54 0.00 0.00 174.62 172.83 3khy n PRO 224 N -1.01 0.74 0.09 3.99 -0.02 -1.26 -3.65 135.00 133.88 3khy n PRO 224 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.32 3khy n PRO 224 Cb 0.66 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 33.07 3khy n PRO 224 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3khy h LEU 225 N 0.06 0.16-10.36 2.45 5.85 -1.96 -3.48 115.31 108.04 3khy h LEU 225 Ca 0.00 -0.12 -0.50 0.00 0.84 0.00 0.00 57.88 58.10 3khy h LEU 225 Cb 0.09 -0.05 0.05 0.00 0.37 0.00 0.00 40.66 41.12 3khy h LEU 225 CO 0.00 0.90 0.27 -0.62 -0.34 0.00 0.00 178.44 178.65 3khy s ASP 226 N -6.87 6.05 0.00 1.25 2.15 -1.24 -2.63 116.67 115.38 3khy s ASP 226 Ca -0.02 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.05 3khy s ASP 226 Cb 0.11 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 3khy s ASP 226 CO 0.81 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 3khy n GLY 227 N -2.57 0.87 3.75 2.66 0.00 -1.20 -4.49 105.19 104.21 3khy n GLY 227 Ca 0.04 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3khy n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3khy s LEU 228 N 0.00 3.32 0.91 0.99 1.43 -1.26 -0.47 118.68 123.60 3khy s LEU 228 Ca 0.00 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 3khy s LEU 228 Cb 0.00 -4.56 0.14 0.00 0.03 0.00 0.00 46.19 41.80 3khy s LEU 228 CO 0.00 -1.88 1.11 -0.69 0.23 0.00 0.00 176.35 175.12 3khy s VAL 229 N -2.31 2.44 -0.05 -1.59 1.01 -1.26 -3.72 120.40 114.91 3khy s VAL 229 Ca 0.68 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.55 3khy s VAL 229 Cb -0.22 -2.35 -0.21 0.00 0.00 0.00 0.00 36.38 33.60 3khy s VAL 229 CO 0.44 -0.19 1.08 1.23 0.00 0.00 0.00 175.10 177.67 3khy h GLY 231 N -1.76 -0.05 0.00 4.51 0.00 -1.70 -3.43 103.07 100.64 3khy h GLY 231 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3khy h GLY 231 CO 0.47 -0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.69 3khy n THR 232 N -4.82 0.06 -4.12 4.70 -2.24 -1.25 -1.45 114.28 105.16 3khy n THR 232 Ca -0.09 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.03 3khy n THR 232 Cb 0.30 1.36 -0.08 0.00 -2.10 0.00 0.00 70.33 69.82 3khy n THR 232 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3khy s ARG 233 N -0.06 3.22 0.35 -0.78 0.52 -1.25 -1.04 118.95 119.91 3khy s ARG 233 Ca 0.00 -0.27 0.11 0.00 -0.52 0.00 0.00 55.73 55.05 3khy s ARG 233 Cb 0.00 -3.00 0.65 0.00 0.52 0.00 0.00 34.95 33.13 3khy s ARG 233 CO 0.00 0.74 1.80 0.66 0.02 0.00 0.00 175.30 178.52 3khy h SER 234 N 5.09 0.09 0.00 0.23 4.64 -1.49 -3.09 113.55 119.03 3khy h SER 234 Ca -0.53 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3khy h SER 234 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3khy h SER 234 CO 0.56 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 3khy n GLY 235 N -0.44 0.59 3.55 -0.77 0.00 -1.08 -4.48 105.19 102.57 3khy n GLY 235 Ca -0.02 -0.79 -0.52 0.00 0.00 0.00 0.00 46.02 44.69 3khy n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khy s ILE 237 N 0.03 0.01 0.11 0.00 2.07 -1.26 -4.94 121.20 117.22 3khy s ILE 237 Ca 0.81 -0.04 -0.31 0.00 -1.41 0.00 0.00 60.65 59.70 3khy s ILE 237 Cb -1.00 -0.98 -0.09 0.00 0.13 0.00 0.00 42.46 40.51 3khy s ILE 237 CO 0.52 -0.02 1.67 -0.62 -1.91 0.00 0.00 174.94 174.57 3khy s ASP 238 N -1.58 6.56 0.64 4.50 -1.08 -1.26 -4.86 116.67 119.60 3khy s ASP 238 Ca -0.08 2.58 0.39 0.00 -0.52 0.00 0.00 52.55 54.92 3khy s ASP 238 Cb -0.00 -2.57 2.18 0.00 -1.46 0.00 0.00 42.92 41.07 3khy s ASP 238 CO 0.04 -0.90 2.30 1.55 0.52 0.00 0.00 175.17 178.69 3khy h PRO 239 N 7.96 0.00 0.00 4.34 0.13 -2.02 -2.17 132.00 140.24 3khy h PRO 239 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3khy h PRO 239 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3khy h PRO 239 CO 0.93 0.00 0.03 0.43 -0.23 0.00 0.00 178.00 179.16 3khy n SER 240 N -3.32 0.45 0.26 1.44 7.64 -1.26 -2.25 113.62 116.58 3khy n SER 240 Ca -0.03 0.70 0.14 0.00 1.01 0.00 0.00 58.87 60.69 3khy n SER 240 Cb 0.11 -0.75 0.71 0.00 -1.01 0.00 0.00 64.21 63.27 3khy n SER 240 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3khy h ILE 241 N 0.00 0.38 0.00 0.44 -0.00 -1.77 -2.60 117.51 113.95 3khy h ILE 241 Ca 0.00 -0.62 -0.00 0.00 -0.00 0.00 0.00 64.86 64.24 3khy h ILE 241 Cb 0.07 1.45 0.00 0.00 -0.00 0.00 0.00 36.82 38.33 3khy h ILE 241 CO 0.00 0.11 -0.00 -0.26 -0.00 0.00 0.00 178.15 177.99 3khy h PHE 242 N 0.00 -0.00 -0.55 0.16 0.04 -1.71 -1.45 116.94 113.43 3khy h PHE 242 Ca -0.00 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3khy h PHE 242 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3khy h PHE 242 CO 0.00 0.38 0.04 0.00 -0.60 0.00 0.00 178.31 178.13 3khy h ALA 243 N 0.62 1.05 0.18 2.45 0.00 -1.76 -0.08 119.26 121.72 3khy h ALA 243 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3khy h ALA 243 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3khy h ALA 243 CO 0.00 0.60 -0.09 -0.92 0.00 0.00 0.00 179.25 178.85 3khy h TYR 244 N 0.84 -0.22 -0.25 0.00 5.03 -1.38 0.20 116.97 121.18 3khy h TYR 244 Ca 0.17 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.42 3khy h TYR 244 Cb 0.44 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 3khy h TYR 244 CO 0.03 -0.13 -0.05 0.82 -1.32 0.00 0.00 178.16 177.51 3khy h ILE 245 N -0.25 1.28 -0.19 1.81 2.04 -1.13 -0.89 117.51 120.18 3khy h ILE 245 Ca -0.02 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3khy h ILE 245 Cb 0.19 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3khy h ILE 245 CO 0.04 0.32 0.09 -1.28 0.00 0.00 0.00 178.15 177.33 3khy h SER 246 N 0.23 0.14 0.47 1.72 0.87 -0.98 0.22 113.55 116.20 3khy h SER 246 Ca 0.07 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 3khy h SER 246 Cb 0.50 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3khy h SER 246 CO 0.02 0.11 -0.64 0.44 -0.53 0.00 0.00 176.83 176.22 3khy h ASP 247 N 0.20 0.19 0.00 6.23 3.32 -0.59 -2.19 116.42 123.58 3khy h ASP 247 Ca 0.08 -0.12 -0.30 0.00 0.02 0.00 0.00 57.03 56.71 3khy h ASP 247 Cb 0.02 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 3khy h ASP 247 CO -0.05 0.78 -2.13 0.59 -1.72 0.00 0.00 179.24 176.71 3khy n ASN 248 N -3.82 1.19 -0.00 6.45 3.02 -0.34 -4.61 115.26 117.14 3khy n ASN 248 Ca -0.02 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.57 3khy n ASN 248 Cb 0.64 0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 40.44 3khy n ASN 248 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3khy n LEU 249 N -2.68 0.17 -0.08 3.41 4.32 0.66 -5.03 117.00 117.77 3khy n LEU 249 Ca -0.28 -0.16 -0.01 0.00 -0.02 0.00 0.00 56.01 55.54 3khy n LEU 249 Cb 1.01 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.81 3khy n LEU 249 CO 0.33 0.04 -0.01 0.61 -1.22 0.00 0.00 177.39 177.14 3khy n GLY 250 N 1.66 0.47 3.78 -0.72 0.00 -0.56 -4.98 105.19 104.84 3khy n GLY 250 Ca -0.01 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 3khy n GLY 250 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3khy s TRP 251 N -2.03 2.79 0.60 1.61 0.52 -1.24 -4.95 118.94 116.24 3khy s TRP 251 Ca 0.00 1.54 -0.09 0.00 0.02 0.00 0.00 56.10 57.57 3khy s TRP 251 Cb 0.00 -3.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.18 3khy s TRP 251 CO 0.00 -1.39 0.96 -1.54 0.02 0.00 0.00 176.95 175.00 3khy s SER 252 N -2.45 5.96 0.28 2.95 1.04 -1.26 -4.30 113.70 115.92 3khy s SER 252 Ca 0.67 1.10 0.02 0.00 0.48 0.00 0.00 55.95 58.22 3khy s SER 252 Cb -0.19 -2.16 0.60 0.00 0.10 0.00 0.00 66.02 64.37 3khy s SER 252 CO 0.35 -0.93 1.79 0.58 0.98 0.00 0.00 173.24 176.02 3khy h VAL 253 N -0.22 0.79 -0.50 5.02 2.07 -1.97 0.78 116.25 122.22 3khy h VAL 253 Ca -0.45 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3khy h VAL 253 Cb 1.22 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3khy h VAL 253 CO 0.62 0.15 0.11 0.74 0.02 0.00 0.00 177.57 179.21 3khy h THR 254 N 0.80 1.24 -0.47 2.57 2.02 -1.99 -0.08 112.91 117.01 3khy h THR 254 Ca 0.51 -0.87 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 3khy h THR 254 Cb 0.67 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3khy h THR 254 CO -0.33 0.31 -0.16 -0.33 0.37 0.00 0.00 175.52 175.38 3khy h GLU 255 N 0.69 0.93 -0.46 6.66 5.08 -1.68 -0.24 114.58 125.56 3khy h GLU 255 Ca 0.15 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3khy h GLU 255 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3khy h GLU 255 CO 0.00 1.04 0.10 0.82 -1.00 0.00 0.00 179.01 179.97 3khy h ILE 256 N 0.77 1.24 -0.52 3.13 2.04 -0.73 -3.04 117.51 120.40 3khy h ILE 256 Ca 0.11 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 3khy h ILE 256 Cb 0.72 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3khy h ILE 256 CO 0.05 0.30 -0.12 0.74 0.00 0.00 0.00 178.15 179.13 3khy h THR 257 N 0.62 1.27 0.00 -0.27 2.02 -0.90 -1.97 112.91 113.67 3khy h THR 257 Ca 0.14 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.06 3khy h THR 257 Cb 0.34 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3khy h THR 257 CO 0.00 0.44 0.00 -3.20 0.37 0.00 0.00 175.52 173.14 3khy n ASN 258 N -4.14 0.16 0.00 4.18 2.85 -0.11 -1.52 115.26 116.67 3khy n ASN 258 Ca 0.01 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 3khy n ASN 258 Cb 0.40 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.39 3khy n ASN 258 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3khy n LEU 260 N 0.88 0.00 -0.02 1.20 4.77 -0.74 -0.46 117.00 122.64 3khy n LEU 260 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3khy n LEU 260 Cb 0.03 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 3khy n LEU 260 CO 0.00 0.00 -0.50 0.59 -1.33 0.00 0.00 177.39 176.15 3khy n ASN 261 N 0.00 0.86 0.00 -1.43 3.02 -0.58 -1.45 115.26 115.69 3khy n ASN 261 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 3khy n ASN 261 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3khy n ASN 261 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3khy n LYS 262 N -3.02 3.15 -0.01 3.52 4.76 0.40 -3.87 118.16 123.08 3khy n LYS 262 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3khy n LYS 262 Cb 1.03 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 3khy n LYS 262 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3khy n GLN 263 N -0.89 2.36 0.00 1.97 1.13 -1.21 -4.90 117.38 115.84 3khy n GLN 263 Ca 0.00 -1.35 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 3khy n GLN 263 Cb 0.00 -0.92 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3khy n GLN 263 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3khy n SER 264 N -0.44 0.08 0.00 1.08 7.64 -0.21 -2.91 113.62 118.87 3khy n SER 264 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3khy n SER 264 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3khy n SER 264 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khy n GLY 265 N 5.00 1.04 0.36 0.23 0.00 -1.17 -1.36 105.19 109.28 3khy n GLY 265 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3khy n GLY 265 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3khy h LEU 266 N 0.00 0.92 -0.22 0.99 3.38 -1.75 -1.50 115.31 117.13 3khy h LEU 266 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3khy h LEU 266 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3khy h LEU 266 CO 0.00 0.53 0.09 0.25 0.09 0.00 0.00 178.44 179.39 3khy h LEU 267 N 1.02 0.11 -0.40 1.67 5.85 -1.01 -0.46 115.31 122.09 3khy h LEU 267 Ca 0.46 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 3khy h LEU 267 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3khy h LEU 267 CO -0.24 0.09 0.20 1.23 -0.34 0.00 0.00 178.44 179.39 3khy h GLY 268 N 0.20 0.62 0.78 3.75 0.00 -0.53 0.17 103.07 108.05 3khy h GLY 268 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3khy h GLY 268 CO -0.09 0.29 0.01 -2.22 0.00 0.00 0.00 176.54 174.53 3khy h ILE 269 N 0.51 1.23 0.00 2.60 2.04 -1.02 -3.40 117.51 119.48 3khy h ILE 269 Ca 0.14 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3khy h ILE 269 Cb 0.11 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3khy h ILE 269 CO -0.02 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.34 3khy n GLY 271 N 0.15 0.72 2.77 0.00 0.00 0.60 -4.82 105.19 104.61 3khy n GLY 271 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3khy n GLY 271 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3khy s HIS 272 N -2.29 0.12 -0.16 1.61 3.76 -1.25 -4.92 115.29 112.16 3khy s HIS 272 Ca 0.00 0.11 0.17 0.00 -0.15 0.00 0.00 55.06 55.19 3khy s HIS 272 Cb 0.00 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.31 3khy s HIS 272 CO 0.00 -0.12 1.07 -2.95 -0.85 0.00 0.00 174.74 171.89 3khy h ASN 273 N 7.50 0.00 -1.81 1.40 -1.07 -1.84 -2.86 115.58 116.90 3khy h ASN 273 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.98 3khy h ASN 273 Cb 1.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 3khy h ASN 273 CO 0.42 0.46 0.00 -0.67 0.07 0.00 0.00 177.43 177.71 3khy n ASP 274 N -2.97 0.00 0.00 6.14 -0.08 -1.26 -4.46 116.55 113.92 3khy n ASP 274 Ca -0.04 -0.63 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 3khy n ASP 274 Cb 0.76 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.22 3khy n ASP 274 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3khy n ARG 276 N -0.63 0.00 -0.09 -0.67 1.74 -1.26 -1.34 116.66 114.41 3khy n ARG 276 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3khy n ARG 276 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3khy n ARG 276 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3khy h GLU 277 N 0.00 0.87 -0.30 5.56 5.08 -1.97 -1.86 114.58 121.97 3khy h GLU 277 Ca 0.00 -0.52 0.05 0.00 -1.00 0.00 0.00 59.36 57.89 3khy h GLU 277 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3khy h GLU 277 CO 0.00 1.16 0.03 0.28 -1.00 0.00 0.00 179.01 179.48 3khy h VAL 278 N 0.69 0.82 -0.82 3.13 2.07 -1.53 -0.35 116.25 120.25 3khy h VAL 278 Ca 0.03 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3khy h VAL 278 Cb 1.09 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3khy h VAL 278 CO 0.11 0.02 0.51 0.28 0.02 0.00 0.00 177.57 178.52 3khy h SER 279 N 0.12 0.96 -0.42 0.57 0.02 -1.80 0.39 113.55 113.40 3khy h SER 279 Ca 0.14 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3khy h SER 279 Cb 0.17 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3khy h SER 279 CO -0.21 0.72 -0.05 1.56 -1.14 0.00 0.00 176.83 177.71 3khy h GLN 280 N 1.11 0.77 -0.41 3.45 4.20 -1.02 -0.31 115.11 122.91 3khy h GLN 280 Ca 0.30 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3khy h GLN 280 Cb -0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3khy h GLN 280 CO -0.06 0.88 0.20 -0.07 -0.67 0.00 0.00 178.83 179.10 3khy h LEU 281 N 0.60 0.53 -1.05 1.46 3.38 -0.72 -2.63 115.31 116.88 3khy h LEU 281 Ca 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3khy h LEU 281 Cb 0.56 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3khy h LEU 281 CO 0.03 0.51 0.60 0.00 0.09 0.00 0.00 178.44 179.67 3khy h ALA 282 N 1.05 1.30 0.00 1.53 0.00 -0.73 -1.83 119.26 120.58 3khy h ALA 282 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3khy h ALA 282 Cb 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3khy h ALA 282 CO -0.02 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 3khy h ALA 283 N 1.39 1.31 -0.01 0.00 0.00 -0.84 -0.87 119.26 120.23 3khy h ALA 283 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3khy h ALA 283 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3khy h ALA 283 CO -0.07 0.15 -0.19 1.63 0.00 0.00 0.00 179.25 180.77 3khy n LYS 284 N -3.67 0.78 0.00 0.00 5.02 -0.74 -4.93 118.16 114.61 3khy n LYS 284 Ca -0.02 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3khy n LYS 284 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3khy n LYS 284 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3khy n GLY 285 N 1.31 1.16 3.63 0.72 0.00 -0.33 -5.08 105.19 106.61 3khy n GLY 285 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3khy n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khy s ASP 286 N -1.87 6.46 0.34 1.61 2.15 -0.89 -4.90 116.67 119.57 3khy s ASP 286 Ca 0.00 1.45 0.12 0.00 0.43 0.00 0.00 52.55 54.55 3khy s ASP 286 Cb 0.00 -2.53 0.59 0.00 -0.30 0.00 0.00 42.92 40.68 3khy s ASP 286 CO 0.00 -1.21 1.75 0.77 -0.17 0.00 0.00 175.17 176.31 3khy h SER 287 N 10.30 0.01 0.23 -0.34 4.64 -1.91 -1.94 113.55 124.54 3khy h SER 287 Ca -0.31 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.83 3khy h SER 287 Cb 1.13 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3khy h SER 287 CO 1.01 0.46 -0.68 -0.07 -0.87 0.00 0.00 176.83 176.69 3khy h LEU 288 N 0.01 0.47 -0.65 5.97 3.38 -1.94 -0.49 115.31 122.07 3khy h LEU 288 Ca -0.00 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 3khy h LEU 288 Cb 0.80 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3khy h LEU 288 CO 0.06 1.02 0.09 0.00 0.09 0.00 0.00 178.44 179.70 3khy h ALA 289 N 0.98 0.86 -0.68 1.53 0.00 -1.81 0.11 119.26 120.25 3khy h ALA 289 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3khy h ALA 289 Cb 1.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3khy h ALA 289 CO 0.12 0.64 0.43 0.87 0.00 0.00 0.00 179.25 181.30 3khy h LYS 290 N 0.99 0.90 -0.73 0.00 1.57 -1.21 -1.85 116.57 116.24 3khy h LYS 290 Ca 0.19 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3khy h LYS 290 Cb 0.46 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3khy h LYS 290 CO 0.02 0.62 0.23 1.25 -0.57 0.00 0.00 179.45 180.99 3khy h LEU 291 N 0.92 1.07 -0.88 2.94 5.85 -0.71 -1.05 115.31 123.43 3khy h LEU 291 Ca 0.25 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3khy h LEU 291 Cb -0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3khy h LEU 291 CO -0.05 0.99 0.58 0.00 -0.34 0.00 0.00 178.44 179.63 3khy h ALA 292 N 1.11 1.12 -0.47 1.25 0.00 -0.73 0.11 119.26 121.67 3khy h ALA 292 Ca 0.24 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3khy h ALA 292 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3khy h ALA 292 CO -0.01 0.53 -0.20 0.82 0.00 0.00 0.00 179.25 180.39 3khy h ILE 293 N 1.20 1.27 -0.08 0.00 2.04 -0.92 -0.54 117.51 120.48 3khy h ILE 293 Ca 0.32 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3khy h ILE 293 Cb -0.13 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3khy h ILE 293 CO -0.07 0.47 0.03 -0.33 0.00 0.00 0.00 178.15 178.25 3khy h GLU 294 N 0.82 0.11 -0.17 2.37 4.39 -0.74 0.69 114.58 122.04 3khy h GLU 294 Ca 0.11 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3khy h GLU 294 Cb 0.76 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3khy h GLU 294 CO 0.06 0.23 0.11 0.82 -1.16 0.00 0.00 179.01 179.07 3khy h ILE 295 N -0.02 1.06 0.12 3.13 2.04 -0.70 -0.50 117.51 122.63 3khy h ILE 295 Ca 0.03 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3khy h ILE 295 Cb 0.15 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3khy h ILE 295 CO -0.00 0.05 -0.14 0.15 0.00 0.00 0.00 178.15 178.21 3khy h PHE 296 N 0.22 -0.37 -0.54 1.37 3.04 -1.04 -2.30 116.94 117.32 3khy h PHE 296 Ca 0.06 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.92 3khy h PHE 296 Cb -0.01 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 3khy h PHE 296 CO -0.06 -0.22 -0.04 0.77 -2.02 0.00 0.00 178.31 176.74 3khy h SER 297 N -0.30 0.97 -0.63 0.41 0.02 -0.72 -2.56 113.55 110.74 3khy h SER 297 Ca 0.01 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 3khy h SER 297 Cb 0.30 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3khy h SER 297 CO -0.05 1.07 0.19 -0.74 -1.14 0.00 0.00 176.83 176.15 3khy h HIS 298 N 0.86 1.05 -0.55 3.45 -0.00 -1.05 -1.26 115.15 117.64 3khy h HIS 298 Ca 0.15 -0.10 -0.07 0.00 -0.00 0.00 0.00 60.37 60.35 3khy h HIS 298 Cb 0.59 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 3khy h HIS 298 CO 0.04 0.84 0.08 -0.09 -0.00 0.00 0.00 177.93 178.81 3khy h ARG 299 N 0.98 0.92 -0.36 5.26 2.43 -1.20 0.10 114.38 122.51 3khy h ARG 299 Ca 0.21 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3khy h ARG 299 Cb 0.30 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3khy h ARG 299 CO -0.01 0.89 0.24 0.28 -1.51 0.00 0.00 179.97 179.86 3khy h VAL 300 N 0.81 1.08 -0.94 0.20 2.07 -1.18 -1.97 116.25 116.33 3khy h VAL 300 Ca 0.17 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3khy h VAL 300 Cb 0.43 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3khy h VAL 300 CO 0.01 0.09 0.62 0.00 0.02 0.00 0.00 177.57 178.31 3khy h ALA 301 N 1.14 1.20 -0.93 1.67 0.00 -0.88 -0.98 119.26 120.49 3khy h ALA 301 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3khy h ALA 301 Cb -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 3khy h ALA 301 CO -0.04 0.55 0.55 0.87 0.00 0.00 0.00 179.25 181.18 3khy h LYS 302 N 1.24 1.26 -0.29 0.00 1.57 -0.39 -0.58 116.57 119.38 3khy h LYS 302 Ca 0.35 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 3khy h LYS 302 Cb -0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.95 3khy h LYS 302 CO -0.09 0.88 -0.10 0.74 -0.57 0.00 0.00 179.45 180.31 3khy h PHE 303 N 1.28 0.66 -0.13 -1.35 0.04 -0.97 -0.82 116.94 115.66 3khy h PHE 303 Ca 0.33 -0.15 0.04 0.00 2.80 0.00 0.00 57.97 60.99 3khy h PHE 303 Cb -0.05 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 3khy h PHE 303 CO 0.00 0.80 -0.14 0.28 -0.60 0.00 0.00 178.31 178.66 3khy h VAL 304 N 0.34 0.63 -0.71 -0.55 2.07 -0.97 -0.65 116.25 116.41 3khy h VAL 304 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3khy h VAL 304 Cb 0.60 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3khy h VAL 304 CO 0.03 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.01 3khy h ALA 305 N 0.91 0.96 -0.60 1.67 0.00 -1.03 -2.21 119.26 118.96 3khy h ALA 305 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3khy h ALA 305 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3khy h ALA 305 CO -0.23 0.05 0.38 1.03 0.00 0.00 0.00 179.25 180.48 3khy h SER 306 N 0.70 0.71 0.00 0.00 0.87 -0.58 -3.38 113.55 111.87 3khy h SER 306 Ca 0.33 -0.04 -0.58 0.00 -1.23 0.00 0.00 61.79 60.27 3khy h SER 306 Cb 0.24 -0.18 0.04 0.00 -0.44 0.00 0.00 62.40 62.07 3khy h SER 306 CO -0.21 0.54 2.32 -1.22 -0.53 0.00 0.00 176.83 177.74 3khy n TYR 307 N -4.64 1.67 0.00 2.24 4.01 -0.30 -4.70 117.16 115.44 3khy n TYR 307 Ca 0.04 -1.78 0.00 0.00 -0.16 0.00 0.00 57.90 56.00 3khy n TYR 307 Cb 0.04 -1.65 0.00 0.00 -0.31 0.00 0.00 39.34 37.42 3khy n TYR 307 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3khy n ILE 309 N 5.60 0.00 1.63 -0.72 -5.35 -1.26 -4.37 119.36 114.90 3khy n ILE 309 Ca 0.47 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 63.10 3khy n ILE 309 Cb 0.33 0.00 0.78 0.00 -1.74 0.00 0.00 39.64 39.01 3khy n ILE 309 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3khy n TYR 310 N -0.12 0.00 -4.07 4.28 4.01 -1.26 -4.84 117.16 115.16 3khy n TYR 310 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3khy n TYR 310 Cb 0.00 -0.14 -0.16 0.00 -0.31 0.00 0.00 39.34 38.73 3khy n TYR 310 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3khy s PHE 311 N -2.30 2.20 0.10 -0.72 0.08 -1.26 -4.95 117.98 111.13 3khy s PHE 311 Ca 0.36 -1.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.02 3khy s PHE 311 Cb 0.21 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 3khy s PHE 311 CO 0.42 -0.66 1.53 -0.97 -0.10 0.00 0.00 175.22 175.44 3khy h ASN 312 N 7.98 0.58 -3.16 1.36 -1.24 -2.00 -3.42 115.58 115.69 3khy h ASN 312 Ca -0.38 -0.33 -0.47 0.00 0.71 0.00 0.00 56.30 55.83 3khy h ASN 312 Cb 1.14 -0.16 -0.40 0.00 0.73 0.00 0.00 38.32 39.63 3khy h ASN 312 CO 0.53 0.77 -0.75 -0.75 -1.29 0.00 0.00 177.43 175.94 3khy s LYS 313 N -4.92 0.28 -0.10 6.67 2.20 -1.26 -5.12 119.74 117.49 3khy s LYS 313 Ca -0.13 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 3khy s LYS 313 Cb 0.09 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 3khy s LYS 313 CO 0.78 -0.60 1.17 -1.17 -0.36 0.00 0.00 175.35 175.17 3khy s LEU 314 N 2.04 4.24 -0.02 5.43 2.96 -1.26 -4.91 118.68 127.16 3khy s LEU 314 Ca 0.02 1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 55.41 3khy s LEU 314 Cb -0.16 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.78 3khy s LEU 314 CO -0.08 -0.61 1.16 0.44 -1.32 0.00 0.00 176.35 175.94 3khy h ASP 315 N 7.56 0.23 -4.69 3.68 3.32 -1.16 -3.45 116.42 121.91 3khy h ASP 315 Ca -0.31 -0.64 0.02 0.00 0.02 0.00 0.00 57.03 56.12 3khy h ASP 315 Cb 1.14 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 3khy h ASP 315 CO 0.90 0.83 0.35 0.00 -1.72 0.00 0.00 179.24 179.61 3khy s ALA 316 N -3.65 -1.79 -0.14 3.45 0.00 -1.23 -4.21 121.76 114.19 3khy s ALA 316 Ca -0.15 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 3khy s ALA 316 Cb 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3khy s ALA 316 CO 0.73 -0.49 0.40 -1.17 0.00 0.00 0.00 175.76 175.23 3khy s LEU 317 N -1.72 4.25 -0.15 0.00 2.96 -0.46 -1.92 118.68 121.65 3khy s LEU 317 Ca -0.03 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 3khy s LEU 317 Cb -0.01 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.15 3khy s LEU 317 CO -0.00 0.03 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.16 3khy s VAL 318 N 0.63 2.11 -0.03 1.68 1.01 0.13 -4.22 120.40 121.71 3khy s VAL 318 Ca 0.22 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 3khy s VAL 318 Cb -0.14 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3khy s VAL 318 CO 0.07 0.55 0.37 -0.36 0.00 0.00 0.00 175.10 175.73 3khy s PHE 319 N 0.87 3.69 0.36 5.22 0.08 -1.26 0.21 117.98 127.16 3khy s PHE 319 Ca -0.05 0.91 -0.08 0.00 0.12 0.00 0.00 56.93 57.82 3khy s PHE 319 Cb -0.15 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 3khy s PHE 319 CO -0.03 0.62 0.61 -0.08 -0.10 0.00 0.00 175.22 176.24 3khy s THR 320 N -0.92 0.00 0.00 0.64 -1.32 -0.15 -2.17 115.64 111.72 3khy s THR 320 Ca 0.22 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 3khy s THR 320 Cb -0.16 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 3khy s THR 320 CO 0.11 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 3khy n GLY 321 N -0.56 -0.41 0.32 6.08 0.00 -1.26 -0.54 105.19 108.83 3khy n GLY 321 Ca -0.03 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.30 3khy n GLY 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3khy h GLY 322 N 0.00 1.40 0.42 -0.02 0.00 -1.85 0.23 103.07 103.25 3khy h GLY 322 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 3khy h GLY 322 CO 0.00 0.04 -0.65 -2.22 0.00 0.00 0.00 176.54 173.71 3khy h ILE 323 N 0.73 1.52 -0.57 2.60 2.04 -0.82 -3.24 117.51 119.77 3khy h ILE 323 Ca 0.45 -2.45 0.01 0.00 1.00 0.00 0.00 64.86 63.88 3khy h ILE 323 Cb 0.55 3.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.76 3khy h ILE 323 CO -0.31 0.66 0.38 1.23 0.00 0.00 0.00 178.15 180.11 3khy h GLY 324 N -0.55 0.79 2.00 5.37 0.00 -0.94 0.95 103.07 110.69 3khy h GLY 324 Ca -0.13 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3khy h GLY 324 CO 0.07 0.27 -0.63 0.83 0.00 0.00 0.00 176.54 177.08 3khy h GLU 325 N 0.74 0.00 0.00 4.80 5.08 -0.70 -3.40 114.58 121.11 3khy h GLU 325 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3khy h GLU 325 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3khy h GLU 325 CO -0.05 0.63 -0.94 0.09 -1.00 0.00 0.00 179.01 177.74 3khy n ASN 326 N -3.29 4.71 -4.44 1.42 3.02 -0.92 -4.86 115.26 110.90 3khy n ASN 326 Ca 0.01 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 3khy n ASN 326 Cb 0.78 0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 40.60 3khy n ASN 326 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khy s ALA 327 N -1.92 3.74 0.30 5.41 0.00 0.28 -4.87 121.76 124.71 3khy s ALA 327 Ca 0.00 -3.09 -0.02 0.00 0.00 0.00 0.00 51.96 48.85 3khy s ALA 327 Cb 0.00 -4.00 0.46 0.00 0.00 0.00 0.00 23.12 19.58 3khy s ALA 327 CO 0.00 -2.80 1.97 0.00 0.00 0.00 0.00 175.76 174.93 3khy h ALA 328 N 8.01 1.42 -0.55 0.00 0.00 -1.86 -2.34 119.26 123.94 3khy h ALA 328 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3khy h ALA 328 Cb 0.96 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3khy h ALA 328 CO 1.12 0.53 0.12 -2.95 0.00 0.00 0.00 179.25 178.07 3khy h ASN 329 N 1.10 0.79 -0.19 0.00 -1.07 -1.95 -1.09 115.58 113.17 3khy h ASN 329 Ca 0.30 -0.15 -0.13 0.00 0.07 0.00 0.00 56.30 56.39 3khy h ASN 329 Cb -0.12 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 35.93 3khy h ASN 329 CO -0.07 0.78 -0.41 0.40 0.07 0.00 0.00 177.43 178.21 3khy h ILE 330 N 0.81 1.33 -0.66 6.14 1.08 -1.83 -1.55 117.51 122.82 3khy h ILE 330 Ca 0.18 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 3khy h ILE 330 Cb 0.31 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 3khy h ILE 330 CO 0.00 0.51 0.42 0.03 -0.69 0.00 0.00 178.15 178.42 3khy h ARG 331 N 0.28 0.89 -0.87 2.37 3.08 -1.33 -0.73 114.38 118.07 3khy h ARG 331 Ca 0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3khy h ARG 331 Cb 1.01 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 3khy h ARG 331 CO 0.09 0.61 0.56 -0.22 -1.07 0.00 0.00 179.97 179.94 3khy h LYS 332 N 0.90 1.07 -0.16 0.04 3.64 -1.12 -0.68 116.57 120.26 3khy h LYS 332 Ca 0.24 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3khy h LYS 332 Cb -0.07 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 3khy h LYS 332 CO -0.05 0.71 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.84 3khy h ASN 333 N 1.10 0.31 -0.44 4.20 -0.73 -0.85 -0.33 115.58 118.84 3khy h ASN 333 Ca 0.34 -0.36 0.01 0.00 1.87 0.00 0.00 56.30 58.17 3khy h ASN 333 Cb -0.02 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 3khy h ASN 333 CO -0.11 0.60 0.27 0.40 -0.37 0.00 0.00 177.43 178.22 3khy h ILE 334 N 0.02 1.07 -0.36 2.57 2.04 -0.87 -2.34 117.51 119.64 3khy h ILE 334 Ca 0.04 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3khy h ILE 334 Cb 0.46 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3khy h ILE 334 CO 0.01 0.10 -0.21 0.40 0.00 0.00 0.00 178.15 178.46 3khy h ILE 335 N 0.55 1.27 -0.81 -0.67 1.08 -1.05 -2.07 117.51 115.81 3khy h ILE 335 Ca 0.17 -1.28 0.16 0.00 -0.39 0.00 0.00 64.86 63.52 3khy h ILE 335 Cb -0.02 1.21 -0.10 0.00 -3.07 0.00 0.00 36.82 34.84 3khy h ILE 335 CO -0.06 0.42 0.36 -1.28 -0.69 0.00 0.00 178.15 176.90 3khy h SER 336 N 0.61 0.37 0.85 1.72 0.87 -0.71 -0.04 113.55 117.22 3khy h SER 336 Ca 0.09 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3khy h SER 336 Cb 0.68 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3khy h SER 336 CO 0.05 0.13 0.00 0.29 -0.53 0.00 0.00 176.83 176.77 3khy n LYS 337 N -4.96 0.07 -0.57 2.24 5.02 -0.80 -2.62 118.16 116.54 3khy n LYS 337 Ca 0.17 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 3khy n LYS 337 Cb 0.46 -1.61 0.34 0.00 -0.02 0.00 0.00 35.03 34.20 3khy n LYS 337 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3khy n LEU 338 N -1.73 4.58 -0.29 -0.35 4.77 -0.05 -4.63 117.00 119.30 3khy n LEU 338 Ca 0.05 -2.44 0.05 0.00 -0.03 0.00 0.00 56.01 53.64 3khy n LEU 338 Cb 0.28 -0.55 0.20 0.00 -2.33 0.00 0.00 43.42 41.01 3khy n LEU 338 CO 0.22 0.81 1.12 0.00 -1.33 0.00 0.00 177.39 178.21 3khy h ALA 339 N 3.83 1.23 0.00 -1.18 0.00 -1.32 -1.09 119.26 120.73 3khy h ALA 339 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3khy h ALA 339 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3khy h ALA 339 CO 0.21 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.56 3khy n ASN 340 N -4.80 0.00 -1.23 0.00 3.02 -1.26 -2.39 115.26 108.60 3khy n ASN 340 Ca 0.15 0.35 0.08 0.00 -0.03 0.00 0.00 54.58 55.14 3khy n ASN 340 Cb 0.35 -0.43 0.29 0.00 -0.61 0.00 0.00 39.78 39.38 3khy n ASN 340 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3khy n LEU 341 N -1.43 4.14 -0.03 3.41 4.32 -0.41 -4.96 117.00 122.03 3khy n LEU 341 Ca 0.05 -2.43 -0.00 0.00 -0.02 0.00 0.00 56.01 53.61 3khy n LEU 341 Cb 0.18 -0.49 -0.00 0.00 -1.62 0.00 0.00 43.42 41.49 3khy n LEU 341 CO 0.15 0.78 -0.00 0.61 -1.22 0.00 0.00 177.39 177.70 3khy n GLY 342 N 0.69 0.36 3.85 -0.72 0.00 -1.00 -4.91 105.19 103.46 3khy n GLY 342 Ca 0.22 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 3khy n GLY 342 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khy s PHE 343 N -2.01 2.70 0.02 1.61 0.40 -1.21 -1.47 117.98 118.02 3khy s PHE 343 Ca 0.00 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 3khy s PHE 343 Cb 0.00 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 3khy s PHE 343 CO 0.00 -0.06 0.04 -1.50 0.70 0.00 0.00 175.22 174.40 3khy s ILE 345 N -2.49 0.12 -0.28 0.64 2.07 -1.26 -4.21 121.20 115.79 3khy s ILE 345 Ca 0.47 -0.95 -0.10 0.00 -1.41 0.00 0.00 60.65 58.66 3khy s ILE 345 Cb -0.02 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3khy s ILE 345 CO 0.27 -0.52 0.14 -0.62 -1.91 0.00 0.00 174.94 172.30 3khy s ASP 346 N -1.67 5.63 0.17 4.50 -1.08 0.67 -4.26 116.67 120.63 3khy s ASP 346 Ca -0.12 -0.19 -0.11 0.00 -0.52 0.00 0.00 52.55 51.61 3khy s ASP 346 Cb -0.06 -2.03 0.06 0.00 -1.46 0.00 0.00 42.92 39.43 3khy s ASP 346 CO -0.02 -0.08 1.68 0.45 0.52 0.00 0.00 175.17 177.73 3khy h HIS 347 N 8.33 0.99 -0.36 -5.34 3.86 -1.96 0.19 115.15 120.85 3khy h HIS 347 Ca -0.36 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 58.60 3khy h HIS 347 Cb 1.18 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 3khy h HIS 347 CO 0.70 0.84 -0.30 0.37 0.86 0.00 0.00 177.93 180.40 3khy h GLN 348 N 0.85 0.84 -0.55 2.45 5.75 -1.96 0.54 115.11 123.03 3khy h GLN 348 Ca 0.18 -0.42 -0.03 0.00 -0.15 0.00 0.00 58.65 58.23 3khy h GLN 348 Cb 0.35 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3khy h GLN 348 CO 0.00 1.06 0.24 0.87 -2.65 0.00 0.00 178.83 178.35 3khy h LYS 349 N 0.63 0.81 -0.97 1.69 1.57 -1.87 -2.50 116.57 115.93 3khy h LYS 349 Ca 0.06 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3khy h LYS 349 Cb 0.88 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 3khy h LYS 349 CO 0.08 0.69 0.63 -0.97 -0.57 0.00 0.00 179.45 179.31 3khy h ASN 350 N 0.75 1.05 0.05 0.86 -1.24 -0.73 -2.57 115.58 113.75 3khy h ASN 350 Ca 0.19 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 3khy h ASN 350 Cb 0.17 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 3khy h ASN 350 CO -0.02 0.72 -0.05 0.77 -1.29 0.00 0.00 177.43 177.56 3khy h SER 351 N 1.22 0.00 -0.56 1.15 4.64 -0.43 0.02 113.55 119.58 3khy h SER 351 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3khy h SER 351 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3khy h SER 351 CO -0.12 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.48 3khy n ASN 352 N -4.43 4.63 -4.05 4.97 3.02 -1.00 -4.97 115.26 113.42 3khy n ASN 352 Ca -0.03 -2.54 -0.27 0.00 -0.03 0.00 0.00 54.58 51.71 3khy n ASN 352 Cb 0.13 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 3khy n ASN 352 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3khy n SER 353 N 0.80 -0.19 -4.73 6.41 7.64 -0.01 -4.92 113.62 118.63 3khy n SER 353 Ca 0.24 -1.07 -0.29 0.00 1.01 0.00 0.00 58.87 58.77 3khy n SER 353 Cb 0.89 -2.72 0.15 0.00 -1.01 0.00 0.00 64.21 61.52 3khy n SER 353 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3khy s GLU 354 N -6.75 0.95 0.17 1.43 2.02 -1.01 -4.85 118.70 110.66 3khy s GLU 354 Ca 0.04 0.54 -0.14 0.00 0.02 0.00 0.00 54.97 55.44 3khy s GLU 354 Cb -0.02 -1.80 0.12 0.00 0.10 0.00 0.00 34.13 32.53 3khy s GLU 354 CO 0.91 -2.38 1.77 1.15 0.02 0.00 0.00 175.26 176.74 3khy h THR 355 N -1.64 0.92 -3.38 3.63 2.02 -1.92 -3.27 112.91 109.28 3khy h THR 355 Ca -0.52 -0.14 -0.65 0.00 0.77 0.00 0.00 66.41 65.87 3khy h THR 355 Cb 1.31 0.48 -0.23 0.00 -1.74 0.00 0.00 68.15 67.97 3khy h THR 355 CO 0.58 0.08 -0.71 -0.36 0.37 0.00 0.00 175.52 175.48 3khy s PHE 356 N -6.14 2.93 0.00 3.16 0.40 -1.26 -1.94 117.98 115.12 3khy s PHE 356 Ca -0.13 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3khy s PHE 356 Cb 0.13 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.79 3khy s PHE 356 CO 0.73 -0.04 0.90 0.44 0.70 0.00 0.00 175.22 177.95 3khy n ILE 357 N 3.30 0.80 -2.49 0.64 -5.35 0.62 -4.81 119.36 112.08 3khy n ILE 357 Ca -0.18 -0.82 -0.30 0.00 -0.27 0.00 0.00 62.75 61.18 3khy n ILE 357 Cb 0.53 0.61 -0.02 0.00 -1.74 0.00 0.00 39.64 39.01 3khy n ILE 357 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3khy s ASN 358 N -0.80 6.45 0.87 7.28 4.22 -1.23 -0.24 114.94 131.49 3khy s ASN 358 Ca 0.00 1.29 -0.08 0.00 -2.14 0.00 0.00 52.86 51.92 3khy s ASN 358 Cb 0.00 -2.40 0.19 0.00 1.28 0.00 0.00 41.25 40.32 3khy s ASN 358 CO 0.00 -0.58 1.19 -0.55 -2.04 0.00 0.00 177.10 175.12 3khy s SER 359 N -3.49 3.51 0.18 3.54 0.15 -1.26 -4.29 113.70 112.04 3khy s SER 359 Ca 0.54 -0.19 -0.14 0.00 0.70 0.00 0.00 55.95 56.86 3khy s SER 359 Cb -0.10 0.08 0.15 0.00 -1.71 0.00 0.00 66.02 64.43 3khy s SER 359 CO 0.38 -2.44 1.74 0.50 1.20 0.00 0.00 173.24 174.61 3khy h LYS 360 N -1.17 0.29 -3.54 5.44 3.64 -1.98 -3.31 116.57 115.94 3khy h LYS 360 Ca -0.39 -0.02 -0.78 0.00 -1.27 0.00 0.00 60.65 58.19 3khy h LYS 360 Cb 1.24 -0.06 -0.29 0.00 -0.41 0.00 0.00 32.23 32.70 3khy h LYS 360 CO 0.34 0.19 0.31 -0.80 -2.27 0.00 0.00 179.45 177.22 3khy s ASN 361 N -5.36 7.00 -0.15 4.20 0.01 -1.26 -4.95 114.94 114.43 3khy s ASN 361 Ca -0.13 -3.54 -0.30 0.00 -0.71 0.00 0.00 52.86 48.18 3khy s ASN 361 Cb 0.14 -2.15 0.12 0.00 0.41 0.00 0.00 41.25 39.77 3khy s ASN 361 CO 0.72 -0.29 0.94 -0.55 -1.51 0.00 0.00 177.10 176.41 3khy s SER 362 N 1.09 -0.43 0.69 -1.22 0.15 -1.25 -4.77 113.70 107.97 3khy s SER 362 Ca 0.29 0.49 -0.17 0.00 0.70 0.00 0.00 55.95 57.26 3khy s SER 362 Cb -0.10 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 3khy s SER 362 CO -0.09 -0.38 0.74 1.41 1.20 0.00 0.00 173.24 176.12 3khy n HIS 363 N 0.84 -0.05 -1.93 3.44 8.25 -0.54 -4.94 115.22 120.29 3khy n HIS 363 Ca -0.12 0.39 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 3khy n HIS 363 Cb 0.58 -2.01 -0.01 0.00 1.12 0.00 0.00 29.99 29.67 3khy n HIS 363 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3khy s ASN 364 N -1.48 6.53 0.14 0.41 0.01 -1.26 -4.81 114.94 114.49 3khy s ASN 364 Ca 0.70 2.86 0.06 0.00 -0.71 0.00 0.00 52.86 55.76 3khy s ASN 364 Cb -0.37 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.60 3khy s ASN 364 CO 0.53 -0.75 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.62 3khy s ILE 365 N -0.75 1.34 -0.17 0.60 1.01 -1.26 -1.35 121.20 120.62 3khy s ILE 365 Ca 0.54 -1.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.21 3khy s ILE 365 Cb -0.44 -1.72 0.08 0.00 0.01 0.00 0.00 42.46 40.38 3khy s ILE 365 CO 0.54 -0.57 0.37 -0.69 0.00 0.00 0.00 174.94 174.59 3khy s VAL 367 N -2.70 -0.44 -0.06 2.92 1.01 -0.82 -0.27 120.40 120.04 3khy s VAL 367 Ca 0.14 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3khy s VAL 367 Cb -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3khy s VAL 367 CO 0.03 0.08 -0.06 -0.63 0.00 0.00 0.00 175.10 174.51 3khy s ILE 368 N 2.26 0.74 0.14 2.22 1.01 -0.92 -4.40 121.20 122.25 3khy s ILE 368 Ca -0.03 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 3khy s ILE 368 Cb -0.11 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.54 3khy s ILE 368 CO -0.11 0.28 1.22 0.00 0.00 0.00 0.00 174.94 176.32 3khy s ALA 369 N 1.05 3.44 0.49 9.38 0.00 -1.26 -4.38 121.76 130.48 3khy s ALA 369 Ca -0.08 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3khy s ALA 369 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3khy s ALA 369 CO -0.00 -0.41 0.82 -0.08 0.00 0.00 0.00 175.76 176.08 3khy s THR 370 N 0.42 4.86 -0.48 0.00 -1.32 -1.26 -4.92 115.64 112.95 3khy s THR 370 Ca 0.56 0.35 0.06 0.00 -1.21 0.00 0.00 61.69 61.45 3khy s THR 370 Cb -0.32 -3.85 0.20 0.00 -1.51 0.00 0.00 72.50 67.02 3khy s THR 370 CO 0.33 -0.84 0.63 -3.20 -2.21 0.00 0.00 174.62 169.33 3khy n ASN 371 N -2.19 -2.30 0.10 8.08 2.85 -1.26 -4.99 115.26 115.56 3khy n ASN 371 Ca 0.02 -2.80 -0.00 0.00 -0.11 0.00 0.00 54.58 51.68 3khy n ASN 371 Cb 0.55 0.95 0.29 0.00 1.24 0.00 0.00 39.78 42.81 3khy n ASN 371 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3khy h GLU 372 N 4.97 0.24 -0.46 1.20 5.08 -1.96 -2.75 114.58 120.89 3khy h GLU 372 Ca 0.09 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3khy h GLU 372 Cb 1.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3khy h GLU 372 CO 0.19 0.51 -0.06 0.93 -1.00 0.00 0.00 179.01 179.58 3khy h GLU 373 N 0.21 0.84 -1.46 2.33 3.07 -1.97 -0.62 114.58 116.99 3khy h GLU 373 Ca 0.03 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3khy h GLU 373 Cb 0.63 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3khy h GLU 373 CO 0.05 0.93 0.00 -0.11 -1.40 0.00 0.00 179.01 178.47 3khy n LEU 374 N -4.31 0.21 0.00 1.33 7.94 -1.04 -1.46 117.00 119.67 3khy n LEU 374 Ca -0.00 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 3khy n LEU 374 Cb 0.35 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.25 3khy n LEU 374 CO 0.43 0.04 0.00 -0.38 -1.11 0.00 0.00 177.39 176.37 3khy n ILE 376 N 0.83 0.00 -0.23 1.96 5.41 -0.24 -0.58 119.36 126.52 3khy n ILE 376 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 3khy n ILE 376 Cb 0.04 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.04 3khy n ILE 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3khy h ALA 377 N 0.00 1.00 -0.39 -1.39 0.00 -1.51 -1.11 119.26 115.85 3khy h ALA 377 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3khy h ALA 377 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3khy h ALA 377 CO 0.00 0.65 -0.23 1.96 0.00 0.00 0.00 179.25 181.63 3khy h GLN 378 N 1.03 0.84 -0.76 0.00 4.20 -1.11 -0.84 115.11 118.47 3khy h GLN 378 Ca 0.21 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3khy h GLN 378 Cb 0.37 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 3khy h GLN 378 CO 0.00 1.03 0.41 0.93 -0.67 0.00 0.00 178.83 180.53 3khy h GLU 379 N 0.65 1.06 0.04 1.46 4.39 -1.78 -1.95 114.58 118.45 3khy h GLU 379 Ca 0.08 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3khy h GLU 379 Cb 0.80 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3khy h GLU 379 CO 0.07 0.78 -0.02 1.15 -1.16 0.00 0.00 179.01 179.83 3khy h THR 380 N 1.07 1.30 -0.96 1.13 2.02 -1.05 -3.11 112.91 113.30 3khy h THR 380 Ca 0.27 -1.13 0.18 0.00 0.77 0.00 0.00 66.41 66.50 3khy h THR 380 Cb 0.03 2.04 -0.10 0.00 -1.74 0.00 0.00 68.15 68.38 3khy h THR 380 CO -0.04 0.28 0.56 -0.61 0.37 0.00 0.00 175.52 176.08 3khy h GLN 381 N -0.56 0.70 -0.02 6.66 5.75 -1.10 -0.95 115.11 125.59 3khy h GLN 381 Ca -0.01 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3khy h GLN 381 Cb 0.51 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3khy h GLN 381 CO 0.01 0.46 0.02 -0.97 -2.65 0.00 0.00 178.83 175.70 3khy h ASN 382 N 0.72 0.00 -0.03 -0.69 -0.00 -1.28 -2.66 115.58 111.64 3khy h ASN 382 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.85 3khy h ASN 382 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.17 3khy h ASN 382 CO -0.38 0.00 -0.08 0.18 -0.00 0.00 0.00 177.43 177.15 3khy n LEU 383 N -3.87 2.77 -0.21 0.34 4.77 -0.37 -5.12 117.00 115.31 3khy n LEU 383 Ca -0.03 -0.96 0.03 0.00 -0.03 0.00 0.00 56.01 55.02 3khy n LEU 383 Cb 0.11 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3khy n LEU 383 CO 0.28 0.47 0.33 2.30 -1.33 0.00 0.00 177.39 179.44