#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igh s LEU 19 N 0.00 3.70 0.12 -3.43 2.96 -1.26 -3.24 118.68 117.53 3igh s LEU 19 Ca 0.00 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3igh s LEU 19 Cb 0.00 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3igh s LEU 19 CO 0.00 -0.08 -0.15 -1.59 -1.32 0.00 0.00 176.35 173.21 3igh s LYS 20 N 1.64 1.02 -0.07 1.98 -2.85 -0.33 -2.34 119.74 118.80 3igh s LYS 20 Ca 0.06 -1.21 0.03 0.00 -1.00 0.00 0.00 55.97 53.84 3igh s LYS 20 Cb -0.16 -0.96 -0.02 0.00 -2.06 0.00 0.00 37.83 34.63 3igh s LYS 20 CO 0.05 0.19 -0.13 0.00 0.10 0.00 0.00 175.35 175.56 3igh s ALA 21 N -1.96 2.68 -0.31 0.59 0.00 -0.45 -0.54 121.76 121.77 3igh s ALA 21 Ca 0.08 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3igh s ALA 21 Cb -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3igh s ALA 21 CO 0.03 0.50 0.12 -0.51 0.00 0.00 0.00 175.76 175.90 3igh s LEU 22 N -0.55 4.08 0.25 0.00 1.43 -0.25 -0.16 118.68 123.48 3igh s LEU 22 Ca 0.08 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3igh s LEU 22 Cb -0.12 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3igh s LEU 22 CO 0.01 -0.23 -0.01 0.27 0.23 0.00 0.00 176.35 176.62 3igh s ILE 23 N 1.52 1.20 -1.18 -0.59 -4.36 -0.53 -0.96 121.20 116.29 3igh s ILE 23 Ca 0.02 -2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 58.32 3igh s ILE 23 Cb -0.18 -2.42 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 3igh s ILE 23 CO 0.04 -0.28 0.87 -3.20 0.24 0.00 0.00 174.94 172.60 3igh n ASN 24 N -0.49 -3.35 -2.67 4.36 5.15 -1.17 -0.65 115.26 116.44 3igh n ASN 24 Ca -0.05 -0.75 -0.09 0.00 -0.60 0.00 0.00 54.58 53.10 3igh n ASN 24 Cb 0.64 -4.65 0.02 0.00 -0.53 0.00 0.00 39.78 35.27 3igh n ASN 24 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3igh n GLY 25 N -1.35 1.11 3.21 8.20 0.00 -1.25 -1.04 105.19 114.08 3igh n GLY 25 Ca -0.21 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 3igh n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igh s THR 26 N -2.20 3.34 -0.28 2.61 2.01 -0.75 -4.31 115.64 116.06 3igh s THR 26 Ca 0.15 -1.29 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 3igh s THR 26 Cb -0.04 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.57 3igh s THR 26 CO 0.11 -0.15 0.05 -0.63 -0.69 0.00 0.00 174.62 173.31 3igh s ILE 27 N 1.31 3.70 -0.23 1.82 1.01 -0.08 -0.56 121.20 128.17 3igh s ILE 27 Ca -0.03 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.58 3igh s ILE 27 Cb -0.20 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3igh s ILE 27 CO 0.01 0.11 0.93 -0.31 0.00 0.00 0.00 174.94 175.67 3igh s TYR 28 N 1.46 3.34 -0.05 3.97 2.02 0.14 -0.56 117.35 127.66 3igh s TYR 28 Ca 0.02 1.30 0.22 0.00 -0.37 0.00 0.00 57.07 58.24 3igh s TYR 28 Cb -0.17 -3.15 -0.31 0.00 -0.40 0.00 0.00 41.96 37.93 3igh s TYR 28 CO 0.01 -0.42 0.52 0.25 -1.57 0.00 0.00 175.55 174.33 3igh n THR 29 N 5.23 0.08 -3.59 -0.71 -2.24 -0.29 -3.94 114.28 108.82 3igh n THR 29 Ca 0.08 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 3igh n THR 29 Cb 0.47 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 3igh n THR 29 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3igh s SER 30 N -4.61 -0.55 -0.17 3.42 0.15 -1.20 -0.83 113.70 109.91 3igh s SER 30 Ca -0.07 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.23 3igh s SER 30 Cb 0.13 0.58 -0.11 0.00 -1.71 0.00 0.00 66.02 64.91 3igh s SER 30 CO 0.90 -0.53 -0.15 0.49 1.20 0.00 0.00 173.24 175.16 3igh n PHE 31 N 1.21 0.00 -3.92 3.44 3.72 -1.26 -1.78 117.46 118.87 3igh n PHE 31 Ca -0.19 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.91 3igh n PHE 31 Cb 0.57 -0.65 -0.15 0.00 -0.94 0.00 0.00 39.48 38.31 3igh n PHE 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3igh s ASN 32 N -5.62 4.48 0.59 4.37 -0.87 -1.26 -2.21 114.94 114.40 3igh s ASN 32 Ca -0.23 -2.07 -0.14 0.00 -1.57 0.00 0.00 52.86 48.85 3igh s ASN 32 Cb 0.06 -1.38 -0.05 0.00 -0.02 0.00 0.00 41.25 39.87 3igh s ASN 32 CO 0.39 -0.38 1.02 -2.84 -2.57 0.00 0.00 177.10 172.73 3igh s PRO 33 N 1.03 3.55 -0.11 -0.60 0.02 -1.26 -5.08 135.00 132.55 3igh s PRO 33 Ca 0.11 0.97 -0.29 0.00 0.02 0.00 0.00 61.00 61.80 3igh s PRO 33 Cb -0.19 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3igh s PRO 33 CO -0.12 -0.60 1.45 -1.17 -0.33 0.00 0.00 177.00 176.22 3igh s LEU 34 N -4.67 4.25 -0.05 -5.54 2.96 -0.94 -4.58 118.68 110.11 3igh s LEU 34 Ca 0.59 1.95 0.01 0.00 -0.22 0.00 0.00 54.13 56.47 3igh s LEU 34 Cb -0.12 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3igh s LEU 34 CO 0.42 -0.83 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.00 3igh s LYS 35 N 3.70 1.17 0.04 1.98 1.02 -0.73 -4.98 119.74 121.94 3igh s LYS 35 Ca 0.64 -0.22 0.08 0.00 0.02 0.00 0.00 55.97 56.48 3igh s LYS 35 Cb -0.27 -1.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 3igh s LYS 35 CO 0.22 -0.05 -0.22 0.15 -0.92 0.00 0.00 175.35 174.53 3igh s LYS 36 N 0.85 1.50 0.32 1.68 1.02 -1.26 -1.13 119.74 122.71 3igh s LYS 36 Ca -0.12 -0.95 0.03 0.00 0.02 0.00 0.00 55.97 54.95 3igh s LYS 36 Cb -0.15 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.51 3igh s LYS 36 CO 0.01 0.41 0.11 0.14 -0.92 0.00 0.00 175.35 175.10 3igh s VAL 37 N -0.77 0.68 -0.76 3.17 -7.23 0.28 -4.96 120.40 110.82 3igh s VAL 37 Ca 0.08 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3igh s VAL 37 Cb -0.09 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 3igh s VAL 37 CO 0.02 0.00 0.57 -1.54 -0.31 0.00 0.00 175.10 173.84 3igh n SER 38 N -0.81 0.87 -3.77 4.85 3.41 -0.71 -0.91 113.62 116.56 3igh n SER 38 Ca -0.02 -0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 57.53 3igh n SER 38 Cb 0.66 0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 65.27 3igh n SER 38 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3igh s GLY 39 N -1.84 -0.22 0.03 5.00 0.00 0.12 -3.03 107.32 107.38 3igh s GLY 39 Ca 0.07 0.86 0.07 0.00 0.00 0.00 0.00 44.72 45.72 3igh s GLY 39 CO 0.39 0.79 -0.22 1.08 0.00 0.00 0.00 173.10 175.14 3igh s LEU 40 N 0.29 2.13 -0.13 0.66 1.43 -0.14 -0.88 118.68 122.05 3igh s LEU 40 Ca -0.01 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3igh s LEU 40 Cb -0.03 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 3igh s LEU 40 CO -0.01 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 175.93 3igh s VAL 41 N -0.71 2.82 -0.13 -1.59 1.01 0.24 -1.09 120.40 120.95 3igh s VAL 41 Ca 0.08 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3igh s VAL 41 Cb -0.09 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 3igh s VAL 41 CO 0.01 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.83 3igh s ILE 42 N 0.42 2.52 -0.13 2.22 1.01 0.30 -0.39 121.20 127.15 3igh s ILE 42 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3igh s ILE 42 Cb -0.16 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3igh s ILE 42 CO 0.05 0.54 -0.12 -0.55 0.00 0.00 0.00 174.94 174.86 3igh s SER 43 N 0.48 2.50 -1.37 3.58 0.15 0.35 -1.18 113.70 118.21 3igh s SER 43 Ca -0.12 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 3igh s SER 43 Cb -0.17 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 3igh s SER 43 CO 0.05 -0.07 0.41 1.57 1.20 0.00 0.00 173.24 176.41 3igh n HIS 44 N 4.75 -1.57 -0.99 3.44 -0.00 -1.20 -1.51 115.22 118.14 3igh n HIS 44 Ca -0.16 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 3igh n HIS 44 Cb 0.50 -3.39 0.00 0.00 -0.00 0.00 0.00 29.99 27.11 3igh n HIS 44 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3igh n GLY 45 N -2.08 0.44 3.19 1.57 0.00 -1.26 -5.02 105.19 102.03 3igh n GLY 45 Ca -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 3igh n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igh s LYS 46 N -0.39 1.34 0.06 1.61 1.02 -0.57 -0.25 119.74 122.56 3igh s LYS 46 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.92 3igh s LYS 46 Cb 0.00 -1.36 -0.06 0.00 -0.52 0.00 0.00 37.83 35.89 3igh s LYS 46 CO 0.00 0.36 1.30 0.08 -0.92 0.00 0.00 175.35 176.17 3igh s VAL 47 N -0.62 3.74 -0.01 3.17 1.01 -0.12 -0.49 120.40 127.07 3igh s VAL 47 Ca 0.06 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.29 3igh s VAL 47 Cb -0.08 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3igh s VAL 47 CO 0.01 0.07 0.06 2.30 0.00 0.00 0.00 175.10 177.54 3igh n ILE 48 N 4.13 0.00 -3.80 2.22 -5.35 0.47 -1.48 119.36 115.55 3igh n ILE 48 Ca 0.11 -0.09 -0.13 0.00 -0.27 0.00 0.00 62.75 62.37 3igh n ILE 48 Cb 0.44 0.48 -0.14 0.00 -1.74 0.00 0.00 39.64 38.69 3igh n ILE 48 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3igh s TYR 49 N -2.12 -0.12 -0.12 4.28 5.04 -1.18 -4.83 117.35 118.30 3igh s TYR 49 Ca -0.01 0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 3igh s TYR 49 Cb 0.02 -0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.34 3igh s TYR 49 CO 0.11 -0.10 -0.03 0.00 -1.34 0.00 0.00 175.55 174.19 3igh s ALA 50 N 0.53 1.09 0.00 3.97 0.00 -1.26 -0.59 121.76 125.49 3igh s ALA 50 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3igh s ALA 50 Cb -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3igh s ALA 50 CO -0.02 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3igh n GLY 51 N 5.02 -0.78 3.75 0.00 0.00 -0.06 -5.00 105.19 108.13 3igh n GLY 51 Ca -0.10 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3igh n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3igh s ASP 52 N -4.00 6.86 0.28 1.61 -1.08 -1.26 0.11 116.67 119.19 3igh s ASP 52 Ca 0.00 2.53 -0.02 0.00 -0.52 0.00 0.00 52.55 54.54 3igh s ASP 52 Cb 0.00 -2.63 0.42 0.00 -1.46 0.00 0.00 42.92 39.25 3igh s ASP 52 CO 0.00 -0.51 1.91 -1.28 0.52 0.00 0.00 175.17 175.81 3igh h SER 53 N 4.37 1.01 -0.23 -0.34 0.87 -1.87 -2.16 113.55 115.20 3igh h SER 53 Ca -0.47 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.94 3igh h SER 53 Cb 1.22 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3igh h SER 53 CO 0.71 0.67 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.94 3igh h GLU 54 N 1.16 0.78 -0.43 2.24 4.39 -1.92 -2.31 114.58 118.51 3igh h GLU 54 Ca 0.40 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3igh h GLU 54 Cb 0.09 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3igh h GLU 54 CO -0.14 1.05 0.13 0.28 -1.16 0.00 0.00 179.01 179.16 3igh h VAL 55 N 0.64 1.22 -0.39 3.13 2.07 -1.90 -1.82 116.25 119.20 3igh h VAL 55 Ca 0.05 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3igh h VAL 55 Cb 0.97 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3igh h VAL 55 CO 0.09 0.26 0.20 0.00 0.02 0.00 0.00 177.57 178.14 3igh h ALA 56 N 0.98 0.48 -0.60 1.67 0.00 -1.34 -1.44 119.26 119.01 3igh h ALA 56 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3igh h ALA 56 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3igh h ALA 56 CO -0.00 -0.16 0.15 -0.22 0.00 0.00 0.00 179.25 179.01 3igh h LYS 57 N 0.40 0.93 -0.39 0.00 3.64 -1.35 -2.84 116.57 116.96 3igh h LYS 57 Ca 0.16 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3igh h LYS 57 Cb 0.06 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3igh h LYS 57 CO -0.11 0.83 0.06 -0.22 -2.27 0.00 0.00 179.45 177.73 3igh h LYS 58 N 0.89 0.65 -0.25 1.90 3.64 -0.93 -1.14 116.57 121.33 3igh h LYS 58 Ca 0.19 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3igh h LYS 58 Cb 0.31 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3igh h LYS 58 CO -0.00 0.71 -0.01 0.82 -2.27 0.00 0.00 179.45 178.70 3igh h ILE 59 N 0.49 0.80 0.00 2.00 2.04 -1.15 -1.98 117.51 119.72 3igh h ILE 59 Ca 0.12 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3igh h ILE 59 Cb 0.38 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3igh h ILE 59 CO 0.01 0.01 -0.22 0.58 0.00 0.00 0.00 178.15 178.53 3igh h VAL 60 N 0.06 0.46 -0.28 1.67 2.07 -1.40 -1.50 116.25 117.34 3igh h VAL 60 Ca 0.12 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 3igh h VAL 60 Cb 0.16 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3igh h VAL 60 CO -0.22 0.21 -0.27 -0.33 0.02 0.00 0.00 177.57 176.99 3igh h GLU 61 N 0.00 0.67 -0.26 1.57 5.08 -0.86 0.01 114.58 120.78 3igh h GLU 61 Ca -0.00 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3igh h GLU 61 Cb 0.89 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3igh h GLU 61 CO 0.03 0.96 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.82 3igh h LEU 62 N 0.41 0.55 -0.41 1.33 3.38 -1.15 -3.24 115.31 116.19 3igh h LEU 62 Ca 0.05 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 3igh h LEU 62 Cb 0.83 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3igh h LEU 62 CO 0.07 0.83 -0.77 0.77 0.09 0.00 0.00 178.44 179.43 3igh h SER 63 N 0.27 0.00 -2.11 -0.43 4.64 -1.34 -3.50 113.55 111.09 3igh h SER 63 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3igh h SER 63 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3igh h SER 63 CO 0.04 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 3igh n GLY 64 N 0.77 -0.74 0.00 -0.77 0.00 -0.02 -5.07 105.19 99.36 3igh n GLY 64 Ca -0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3igh n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3igh n GLY 65 N 0.77 -0.66 3.74 -0.02 0.00 -1.21 -4.65 105.19 103.16 3igh n GLY 65 Ca 0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 3igh n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3igh s GLU 66 N -1.61 4.58 -0.27 1.61 2.12 -0.99 -4.89 118.70 119.25 3igh s GLU 66 Ca 0.00 1.22 -0.03 0.00 0.36 0.00 0.00 54.97 56.52 3igh s GLU 66 Cb 0.00 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 31.05 3igh s GLU 66 CO 0.00 0.28 -0.02 0.42 -0.54 0.00 0.00 175.26 175.40 3igh s ILE 67 N -0.11 3.15 -0.33 -3.70 1.01 -1.26 -1.34 121.20 118.62 3igh s ILE 67 Ca 0.41 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 3igh s ILE 67 Cb -0.22 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3igh s ILE 67 CO 0.26 0.12 0.34 -0.69 0.00 0.00 0.00 174.94 174.96 3igh s VAL 68 N 1.35 5.19 -0.30 2.92 1.01 0.77 -4.96 120.40 126.39 3igh s VAL 68 Ca -0.00 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 3igh s VAL 68 Cb -0.17 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3igh s VAL 68 CO -0.02 -0.03 1.03 -0.62 0.00 0.00 0.00 175.10 175.46 3igh s ASP 69 N 1.72 6.93 0.45 3.32 2.15 -1.26 -1.46 116.67 128.52 3igh s ASP 69 Ca 0.11 1.07 0.27 0.00 0.43 0.00 0.00 52.55 54.43 3igh s ASP 69 Cb -0.16 -2.52 0.78 0.00 -0.30 0.00 0.00 42.92 40.72 3igh s ASP 69 CO 0.11 -0.80 1.76 -0.07 -0.17 0.00 0.00 175.17 176.01 3igh h LEU 70 N 9.86 0.00 -1.65 -1.34 3.38 -1.02 -3.48 115.31 121.06 3igh h LEU 70 Ca -0.21 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.33 3igh h LEU 70 Cb 1.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.84 3igh h LEU 70 CO 1.00 0.00 -0.82 0.29 0.09 0.00 0.00 178.44 179.00 3igh n LYS 71 N -2.97 -4.83 -0.65 1.13 5.02 -1.10 -2.01 118.16 112.75 3igh n LYS 71 Ca 0.03 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3igh n LYS 71 Cb 0.42 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 3igh n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3igh n GLY 72 N -1.64 1.64 3.70 0.72 0.00 -0.21 -5.03 105.19 104.37 3igh n GLY 72 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3igh n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igh s LYS 73 N -0.02 1.13 0.01 1.61 1.02 -0.85 -4.51 119.74 118.13 3igh s LYS 73 Ca 0.00 0.87 0.01 0.00 0.02 0.00 0.00 55.97 56.87 3igh s LYS 73 Cb 0.00 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 3igh s LYS 73 CO 0.00 -2.34 0.03 0.71 -0.92 0.00 0.00 175.35 172.83 3igh s TYR 74 N -2.89 3.14 -0.05 3.18 2.02 0.49 -1.81 117.35 121.43 3igh s TYR 74 Ca 0.64 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 57.47 3igh s TYR 74 Cb -0.19 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3igh s TYR 74 CO 0.57 0.49 -0.12 0.08 -1.57 0.00 0.00 175.55 175.01 3igh s VAL 75 N -1.15 1.08 0.12 0.71 1.01 0.27 0.62 120.40 123.05 3igh s VAL 75 Ca 0.22 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3igh s VAL 75 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3igh s VAL 75 CO 0.13 0.33 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 3igh s MET 76 N 0.43 0.92 0.45 2.72 0.23 -0.97 0.24 119.30 123.31 3igh s MET 76 Ca -0.09 -1.33 -0.24 0.00 -1.03 0.00 0.00 55.69 53.00 3igh s MET 76 Cb -0.13 -0.44 -0.09 0.00 -1.53 0.00 0.00 34.83 32.65 3igh s MET 76 CO 0.02 0.04 1.25 -2.30 -2.03 0.00 0.00 175.02 172.01 3igh n PRO 77 N 0.06 1.80 -1.30 3.16 -0.02 -1.25 -1.49 135.00 135.97 3igh n PRO 77 Ca -0.12 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 3igh n PRO 77 Cb 0.60 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.79 3igh n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3igh s ALA 78 N -1.24 2.18 0.52 3.55 0.00 -0.30 -4.63 121.76 121.85 3igh s ALA 78 Ca 0.64 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 3igh s ALA 78 Cb -0.49 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 3igh s ALA 78 CO 0.56 -1.81 1.18 -0.06 0.00 0.00 0.00 175.76 175.63 3igh s PHE 79 N -2.69 2.66 -0.24 0.00 0.08 -0.65 -4.70 117.98 112.45 3igh s PHE 79 Ca 0.64 1.52 -0.00 0.00 0.12 0.00 0.00 56.93 59.21 3igh s PHE 79 Cb -0.19 -3.41 0.07 0.00 -0.57 0.00 0.00 43.02 38.91 3igh s PHE 79 CO 0.53 -1.80 -0.01 0.12 -0.10 0.00 0.00 175.22 173.95 3igh s PHE 80 N -1.60 2.09 -0.45 0.36 5.99 -0.19 -1.76 117.98 122.41 3igh s PHE 80 Ca 0.70 -1.61 -0.24 0.00 0.00 0.00 0.00 56.93 55.77 3igh s PHE 80 Cb -0.29 -1.53 0.03 0.00 0.00 0.00 0.00 43.02 41.23 3igh s PHE 80 CO 0.33 -0.76 0.87 0.34 -0.00 0.00 0.00 175.22 176.00 3igh s ASP 81 N 1.50 6.47 0.00 6.13 -1.08 -0.57 -4.65 116.67 124.46 3igh s ASP 81 Ca -0.03 0.04 0.14 0.00 -0.52 0.00 0.00 52.55 52.19 3igh s ASP 81 Cb -0.18 -2.42 0.78 0.00 -1.46 0.00 0.00 42.92 39.63 3igh s ASP 81 CO -0.08 -0.98 1.51 -1.54 0.52 0.00 0.00 175.17 174.59 3igh n SER 82 N 6.96 0.24 -3.15 -0.34 3.41 -0.90 -1.55 113.62 118.29 3igh n SER 82 Ca 0.05 -1.61 0.05 0.00 -0.26 0.00 0.00 58.87 57.09 3igh n SER 82 Cb 0.48 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3igh n SER 82 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3igh s HIS 83 N -1.96 -1.20 0.32 7.33 5.65 -1.24 -4.35 115.29 119.83 3igh s HIS 83 Ca 0.22 0.72 -0.06 0.00 0.25 0.00 0.00 55.06 56.18 3igh s HIS 83 Cb 0.10 0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.72 3igh s HIS 83 CO 0.17 -0.70 0.49 -0.48 -0.65 0.00 0.00 174.74 173.57 3igh s LEU 84 N 2.89 0.73 -0.40 8.88 0.05 -0.64 -0.82 118.68 129.38 3igh s LEU 84 Ca 0.18 -1.30 0.03 0.00 0.05 0.00 0.00 54.13 53.09 3igh s LEU 84 Cb -0.06 1.64 0.11 0.00 -2.05 0.00 0.00 46.19 45.83 3igh s LEU 84 CO -0.24 -1.28 0.13 -1.00 -0.55 0.00 0.00 176.35 173.41 3igh s HIS 85 N -3.27 3.61 0.17 3.48 3.76 0.34 -1.26 115.29 122.13 3igh s HIS 85 Ca 0.27 -2.95 -0.12 0.00 -0.15 0.00 0.00 55.06 52.11 3igh s HIS 85 Cb -0.01 -2.96 0.08 0.00 1.11 0.00 0.00 32.58 30.80 3igh s HIS 85 CO 0.16 -0.91 1.77 1.25 -0.85 0.00 0.00 174.74 176.16 3igh h LEU 86 N 7.42 0.77 -0.37 0.89 5.85 -1.89 0.25 115.31 128.23 3igh h LEU 86 Ca -0.06 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 3igh h LEU 86 Cb 0.99 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3igh h LEU 86 CO 0.59 0.68 -0.05 -2.24 -0.34 0.00 0.00 178.44 177.07 3igh h ASP 87 N 0.81 0.69 0.10 1.25 2.03 -1.93 -2.19 116.42 117.17 3igh h ASP 87 Ca 0.21 -0.34 -0.09 0.00 -0.73 0.00 0.00 57.03 56.07 3igh h ASP 87 Cb 0.10 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 3igh h ASP 87 CO -0.03 0.87 -0.30 -0.33 -1.03 0.00 0.00 179.24 178.42 3igh h GLU 88 N 0.50 0.32 -0.29 4.15 5.08 -1.87 -1.66 114.58 120.81 3igh h GLU 88 Ca 0.10 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3igh h GLU 88 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3igh h GLU 88 CO 0.03 0.59 0.04 1.25 -1.00 0.00 0.00 179.01 179.93 3igh h LEU 89 N 0.28 0.46 -0.54 1.33 5.85 -0.81 -0.31 115.31 121.56 3igh h LEU 89 Ca 0.04 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.56 3igh h LEU 89 Cb 0.68 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3igh h LEU 89 CO 0.05 0.60 0.23 1.23 -0.34 0.00 0.00 178.44 180.22 3igh h GLY 90 N 0.29 0.75 0.96 3.75 0.00 -1.17 -1.43 103.07 106.22 3igh h GLY 90 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3igh h GLY 90 CO 0.01 0.04 0.18 1.98 0.00 0.00 0.00 176.54 178.75 3igh h MET 91 N 0.44 0.46 -0.84 4.80 1.85 -1.11 -2.92 114.93 117.61 3igh h MET 91 Ca 0.26 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.30 3igh h MET 91 Cb 0.25 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.14 3igh h MET 91 CO -0.23 0.39 0.55 1.03 -0.40 0.00 0.00 176.91 178.26 3igh h SER 92 N 0.41 0.98 0.83 1.39 0.87 -0.73 -0.62 113.55 116.68 3igh h SER 92 Ca 0.12 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3igh h SER 92 Cb 0.07 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3igh h SER 92 CO -0.02 0.71 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.83 3igh h LEU 93 N 1.15 0.00 0.00 2.23 3.38 -1.09 -3.00 115.31 117.98 3igh h LEU 93 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3igh h LEU 93 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3igh h LEU 93 CO -0.07 0.10 -1.30 -0.62 0.09 0.00 0.00 178.44 176.64 3igh n GLU 94 N -3.28 0.24 -1.82 1.13 -0.58 -0.70 -5.00 120.64 110.63 3igh n GLU 94 Ca -0.00 -0.06 -0.34 0.00 -0.42 0.00 0.00 57.16 56.34 3igh n GLU 94 Cb 0.33 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 3igh n GLU 94 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3igh s MET 95 N -3.18 2.81 -0.10 3.49 -1.94 -0.32 -4.84 119.30 115.21 3igh s MET 95 Ca 0.03 1.53 -0.30 0.00 -1.71 0.00 0.00 55.69 55.24 3igh s MET 95 Cb 0.15 -1.94 -0.02 0.00 2.01 0.00 0.00 34.83 35.04 3igh s MET 95 CO 0.87 -1.27 1.06 0.08 -0.01 0.00 0.00 175.02 175.76 3igh s VAL 96 N -2.12 4.64 -0.41 -6.03 1.01 0.04 -4.97 120.40 112.57 3igh s VAL 96 Ca 0.70 1.92 -0.25 0.00 0.00 0.00 0.00 61.98 64.36 3igh s VAL 96 Cb -0.23 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 31.93 3igh s VAL 96 CO 0.39 -0.01 0.87 -0.62 0.00 0.00 0.00 175.10 175.73 3igh s ASP 97 N 1.21 6.56 0.00 3.32 -1.08 -1.26 -1.57 116.67 123.84 3igh s ASP 97 Ca 0.50 0.29 0.18 0.00 -0.52 0.00 0.00 52.55 53.00 3igh s ASP 97 Cb -0.20 -2.43 0.42 0.00 -1.46 0.00 0.00 42.92 39.25 3igh s ASP 97 CO 0.18 -0.89 1.34 0.18 0.52 0.00 0.00 175.17 176.50 3igh n LEU 98 N 6.80 3.29 -4.74 -1.34 4.77 0.17 -4.96 117.00 121.00 3igh n LEU 98 Ca 0.05 -1.74 -0.42 0.00 -0.03 0.00 0.00 56.01 53.88 3igh n LEU 98 Cb 0.48 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3igh n LEU 98 CO 0.59 0.77 1.17 -0.13 -1.33 0.00 0.00 177.39 178.47 3igh s ARG 99 N -1.15 4.22 0.00 3.23 0.52 -1.23 -2.36 118.95 122.18 3igh s ARG 99 Ca 0.34 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 3igh s ARG 99 Cb 0.19 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3igh s ARG 99 CO 0.26 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.46 3igh n GLY 100 N 2.66 0.96 3.70 -3.53 0.00 -1.26 -5.01 105.19 102.72 3igh n GLY 100 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3igh n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igh s ALA 101 N -3.84 3.69 -1.79 4.61 0.00 -1.00 -4.91 121.76 118.53 3igh s ALA 101 Ca 0.00 1.21 0.19 0.00 0.00 0.00 0.00 51.96 53.37 3igh s ALA 101 Cb 0.00 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3igh s ALA 101 CO 0.00 -0.94 0.98 1.63 0.00 0.00 0.00 175.76 177.43 3igh n LYS 102 N 4.94 1.46 -3.60 0.00 4.76 -1.26 -3.73 118.16 120.72 3igh n LYS 102 Ca 0.15 -0.94 -0.11 0.00 -2.87 0.00 0.00 58.31 54.54 3igh n LYS 102 Cb 0.40 -1.38 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 3igh n LYS 102 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3igh s SER 103 N -2.18 -0.29 0.24 4.39 1.04 -1.26 -4.30 113.70 111.34 3igh s SER 103 Ca 0.16 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 3igh s SER 103 Cb 0.16 0.50 0.36 0.00 0.10 0.00 0.00 66.02 67.13 3igh s SER 103 CO 0.48 -0.88 1.82 0.40 0.98 0.00 0.00 173.24 176.04 3igh h ILE 104 N 2.30 0.96 -0.42 -1.02 1.08 -1.94 -1.57 117.51 116.89 3igh h ILE 104 Ca -0.34 -0.29 0.08 0.00 -0.39 0.00 0.00 64.86 63.92 3igh h ILE 104 Cb 1.27 0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.00 3igh h ILE 104 CO 0.45 0.15 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.98 3igh h GLU 105 N 0.83 0.10 -0.57 2.37 4.22 -1.97 0.29 114.58 119.86 3igh h GLU 105 Ca 0.38 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.76 3igh h GLU 105 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3igh h GLU 105 CO -0.21 0.07 0.16 1.49 -2.18 0.00 0.00 179.01 178.33 3igh h GLU 106 N 0.11 0.90 -0.32 1.92 4.81 -1.85 -1.72 114.58 118.43 3igh h GLU 106 Ca 0.21 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3igh h GLU 106 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3igh h GLU 106 CO -0.35 0.82 0.19 1.25 -0.73 0.00 0.00 179.01 180.19 3igh h LEU 107 N 0.80 0.31 -0.73 1.64 6.46 -0.67 -1.63 115.31 121.49 3igh h LEU 107 Ca 0.18 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.85 3igh h LEU 107 Cb 0.31 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3igh h LEU 107 CO -0.00 0.22 0.02 0.40 -0.62 0.00 0.00 178.44 178.46 3igh h ILE 108 N 0.38 1.26 -0.66 4.05 1.08 -0.86 -1.97 117.51 120.80 3igh h ILE 108 Ca 0.12 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 3igh h ILE 108 Cb -0.01 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 3igh h ILE 108 CO -0.05 0.40 0.43 -0.61 -0.69 0.00 0.00 178.15 177.62 3igh h GLN 109 N 0.91 0.85 -0.39 2.37 4.15 -1.04 -0.74 115.11 121.23 3igh h GLN 109 Ca 0.17 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 3igh h GLN 109 Cb 0.51 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3igh h GLN 109 CO 0.02 0.56 0.09 0.00 -1.93 0.00 0.00 178.83 177.58 3igh h ARG 110 N 0.87 0.62 -0.14 1.69 3.08 -1.08 -3.05 114.38 116.37 3igh h ARG 110 Ca 0.24 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3igh h ARG 110 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3igh h ARG 110 CO -0.06 0.65 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.19 3igh h LEU 111 N 0.48 0.24 -1.61 3.04 3.38 -1.08 -2.46 115.31 117.30 3igh h LEU 111 Ca 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3igh h LEU 111 Cb 0.31 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3igh h LEU 111 CO 0.00 0.48 -0.14 0.11 0.09 0.00 0.00 178.44 178.98 3igh h LYS 112 N 0.23 0.00 0.00 1.13 1.57 -1.04 -2.42 116.57 116.04 3igh h LYS 112 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3igh h LYS 112 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3igh h LYS 112 CO 0.04 0.14 -0.19 0.54 -0.57 0.00 0.00 179.45 179.41 3igh n ARG 113 N -3.46 0.20 -2.05 3.15 1.74 -0.93 -4.91 116.66 110.40 3igh n ARG 113 Ca -0.01 0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.80 3igh n ARG 113 Cb 0.31 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3igh n ARG 113 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3igh s GLY 114 N -3.43 2.93 0.13 -0.13 0.00 -0.91 -5.04 107.32 100.86 3igh s GLY 114 Ca 0.10 1.25 0.04 0.00 0.00 0.00 0.00 44.72 46.11 3igh s GLY 114 CO 0.62 1.85 0.14 0.54 0.00 0.00 0.00 173.10 176.25 3igh s LYS 115 N -2.18 3.00 0.00 2.90 3.01 -1.26 -5.03 119.74 120.17 3igh s LYS 115 Ca 0.56 -0.75 0.00 0.00 -1.01 0.00 0.00 55.97 54.77 3igh s LYS 115 Cb -0.39 -2.74 0.00 0.00 -1.01 0.00 0.00 37.83 33.70 3igh s LYS 115 CO 0.50 0.52 0.00 0.41 0.51 0.00 0.00 175.35 177.29 3igh n GLY 116 N -0.07 1.73 0.07 -3.33 0.00 -1.26 -4.83 105.19 97.51 3igh n GLY 116 Ca -0.08 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 3igh n GLY 116 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3igh h ARG 117 N 0.00 0.10 -5.91 1.61 2.43 -1.97 -3.42 114.38 107.22 3igh h ARG 117 Ca 0.00 -0.01 -0.69 0.00 -0.81 0.00 0.00 59.98 58.47 3igh h ARG 117 Cb 0.00 -0.02 -0.30 0.00 -0.42 0.00 0.00 29.97 29.23 3igh h ARG 117 CO 0.00 0.17 -0.86 0.42 -1.51 0.00 0.00 179.97 178.19 3igh s ILE 118 N -5.78 2.23 -0.44 1.20 1.01 -1.26 -4.29 121.20 113.86 3igh s ILE 118 Ca -0.14 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 3igh s ILE 118 Cb 0.06 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.73 3igh s ILE 118 CO 0.68 0.57 0.54 -0.63 0.00 0.00 0.00 174.94 176.09 3igh s ILE 119 N -0.12 4.97 -0.15 2.92 -1.09 0.11 -4.99 121.20 122.86 3igh s ILE 119 Ca -0.05 -0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.04 3igh s ILE 119 Cb -0.14 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3igh s ILE 119 CO 0.04 -0.56 0.14 -0.36 -1.23 0.00 0.00 174.94 172.97 3igh s PHE 120 N 2.44 3.54 0.19 3.97 0.08 -1.26 -1.61 117.98 125.32 3igh s PHE 120 Ca 0.16 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.68 3igh s PHE 120 Cb -0.17 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 3igh s PHE 120 CO 0.15 0.59 0.03 0.20 -0.10 0.00 0.00 175.22 176.09 3igh s GLY 121 N -0.58 1.33 0.09 4.36 0.00 -0.62 -0.78 107.32 111.13 3igh s GLY 121 Ca 0.13 -1.65 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 3igh s GLY 121 CO 0.02 -1.53 0.38 -0.11 0.00 0.00 0.00 173.10 171.86 3igh s PHE 122 N -3.72 -0.19 0.00 1.90 -0.12 -0.61 -0.84 117.98 114.41 3igh s PHE 122 Ca 0.27 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 3igh s PHE 122 Cb 0.07 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 3igh s PHE 122 CO 0.06 -0.64 0.00 0.41 -0.05 0.00 0.00 175.22 175.00 3igh n GLY 123 N 0.05 0.73 3.78 1.99 0.00 -0.58 -0.66 105.19 110.50 3igh n GLY 123 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3igh n GLY 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3igh s TRP 124 N -2.46 2.74 -0.11 1.61 1.48 -1.23 -3.53 118.94 117.44 3igh s TRP 124 Ca 0.00 1.53 -0.05 0.00 -1.06 0.00 0.00 56.10 56.52 3igh s TRP 124 Cb 0.00 -3.06 0.05 0.00 -1.16 0.00 0.00 33.47 29.30 3igh s TRP 124 CO 0.00 -1.57 0.25 0.34 -4.06 0.00 0.00 176.95 171.91 3igh s ASP 125 N -3.08 -0.09 0.53 -2.66 -1.08 -1.26 -0.63 116.67 108.40 3igh s ASP 125 Ca 0.63 0.54 0.21 0.00 -0.52 0.00 0.00 52.55 53.41 3igh s ASP 125 Cb -0.18 0.48 1.42 0.00 -1.46 0.00 0.00 42.92 43.18 3igh s ASP 125 CO 0.48 -0.19 2.14 1.56 0.52 0.00 0.00 175.17 179.69 3igh h GLN 126 N 7.50 0.00 -0.16 4.34 7.50 -1.97 -1.39 115.11 130.93 3igh h GLN 126 Ca -0.34 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 58.73 3igh h GLN 126 Cb 1.14 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.66 3igh h GLN 126 CO 0.31 0.05 -0.26 -0.44 -1.50 0.00 0.00 178.83 176.99 3igh h ASP 127 N 0.00 0.29 0.34 1.46 3.32 -1.94 0.61 116.42 120.51 3igh h ASP 127 Ca -0.00 -0.09 -0.33 0.00 0.02 0.00 0.00 57.03 56.63 3igh h ASP 127 Cb 0.10 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.59 3igh h ASP 127 CO 0.01 0.56 -1.54 -0.33 -1.72 0.00 0.00 179.24 176.21 3igh h GLU 128 N 0.27 0.39 -0.03 3.56 5.08 -1.62 -3.37 114.58 118.85 3igh h GLU 128 Ca 0.04 -0.66 -0.18 0.00 -1.00 0.00 0.00 59.36 57.56 3igh h GLU 128 Cb 0.60 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3igh h GLU 128 CO 0.04 1.29 -0.77 -0.07 -1.00 0.00 0.00 179.01 178.50 3igh h LEU 129 N 0.11 0.31 0.00 1.33 3.38 -1.20 -3.39 115.31 115.83 3igh h LEU 129 Ca -0.26 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3igh h LEU 129 Cb 2.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3igh h LEU 129 CO 0.21 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.31 3igh n GLY 130 N 0.63 1.06 3.58 0.83 0.00 0.18 -4.26 105.19 107.22 3igh n GLY 130 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 3igh n GLY 130 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3igh s GLU 131 N -0.93 0.63 0.30 1.61 -1.05 -1.05 -4.98 118.70 113.24 3igh s GLU 131 Ca 0.00 -0.27 -0.28 0.00 -0.15 0.00 0.00 54.97 54.27 3igh s GLU 131 Cb 0.00 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.86 3igh s GLU 131 CO 0.00 -0.28 1.00 -1.58 0.95 0.00 0.00 175.26 175.35 3igh s TRP 132 N -2.80 3.68 0.62 4.83 0.52 -1.26 -4.50 118.94 120.03 3igh s TRP 132 Ca 0.09 1.78 -0.14 0.00 0.02 0.00 0.00 56.10 57.85 3igh s TRP 132 Cb -0.00 -3.07 -0.03 0.00 -1.15 0.00 0.00 33.47 29.22 3igh s TRP 132 CO -0.05 -0.06 1.04 -1.25 0.02 0.00 0.00 176.95 176.65 3igh s PRO 133 N -1.69 3.32 0.12 4.98 0.04 -1.26 -5.07 135.00 135.45 3igh s PRO 133 Ca 0.47 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.58 3igh s PRO 133 Cb -0.25 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3igh s PRO 133 CO 0.32 -0.79 -0.11 0.95 0.04 0.00 0.00 177.00 177.40 3igh s THR 134 N -2.77 1.12 0.24 1.26 -4.23 -1.26 -4.96 115.64 105.05 3igh s THR 134 Ca 0.60 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 59.27 3igh s THR 134 Cb -0.14 -1.52 0.30 0.00 1.34 0.00 0.00 72.50 72.48 3igh s THR 134 CO 0.44 -0.55 1.62 -0.09 -0.54 0.00 0.00 174.62 175.49 3igh h ARG 135 N 3.37 0.05 -0.50 3.99 2.43 -1.07 -1.40 114.38 121.25 3igh h ARG 135 Ca -0.38 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 3igh h ARG 135 Cb 1.19 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3igh h ARG 135 CO 0.54 0.03 0.31 0.87 -1.51 0.00 0.00 179.97 180.22 3igh h LYS 136 N 0.05 0.60 -0.48 0.20 1.57 -1.84 -1.46 116.57 115.21 3igh h LYS 136 Ca 0.40 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 3igh h LYS 136 Cb 0.68 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3igh h LYS 136 CO -0.72 0.40 0.01 0.93 -0.57 0.00 0.00 179.45 179.49 3igh h GLU 137 N 0.62 0.80 0.00 3.15 5.08 -1.81 -2.62 114.58 119.79 3igh h GLU 137 Ca 0.20 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3igh h GLU 137 Cb -0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3igh h GLU 137 CO -0.08 0.80 0.00 1.28 -1.00 0.00 0.00 179.01 180.01 3igh n LEU 138 N -4.22 0.54 0.24 1.33 4.77 -0.59 -2.74 117.00 116.34 3igh n LEU 138 Ca 0.03 0.57 0.17 0.00 -0.03 0.00 0.00 56.01 56.74 3igh n LEU 138 Cb 0.30 -0.42 0.82 0.00 -2.33 0.00 0.00 43.42 41.78 3igh n LEU 138 CO 0.41 -0.22 1.00 0.78 -1.33 0.00 0.00 177.39 178.03 3igh h ASN 139 N 0.00 0.00 0.52 -1.43 2.35 -0.87 -2.55 115.58 113.60 3igh h ASN 139 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3igh h ASN 139 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3igh h ASN 139 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3igh h ALA 140 N 2.04 1.00 -2.89 -0.83 0.00 -1.66 -3.40 119.26 113.52 3igh h ALA 140 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3igh h ALA 140 Cb 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 3igh h ALA 140 CO 0.00 0.00 -0.20 0.42 0.00 0.00 0.00 179.25 179.47 3igh s ILE 141 N -3.83 5.21 -0.08 0.00 1.01 -0.96 -4.97 121.20 117.57 3igh s ILE 141 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3igh s ILE 141 Cb 0.10 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.93 3igh s ILE 141 CO 0.46 0.27 1.52 -0.67 0.00 0.00 0.00 174.94 176.51 3igh n ASP 142 N 4.29 4.24 -3.99 3.58 2.03 -1.26 -4.78 116.55 120.66 3igh n ASP 142 Ca -0.08 -2.41 -0.08 0.00 0.52 0.00 0.00 54.79 52.74 3igh n ASP 142 Cb 0.51 -0.79 -0.09 0.00 -0.72 0.00 0.00 41.12 40.03 3igh n ASP 142 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3igh s LYS 143 N -0.54 0.65 0.23 -0.67 1.02 -1.26 -5.12 119.74 114.05 3igh s LYS 143 Ca 0.09 -1.00 -0.31 0.00 0.02 0.00 0.00 55.97 54.77 3igh s LYS 143 Cb 0.07 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.52 3igh s LYS 143 CO 0.01 -0.16 1.62 -2.14 -0.92 0.00 0.00 175.35 173.77 3igh s PRO 144 N -3.44 4.15 -0.07 -1.68 0.02 -1.26 -4.79 135.00 127.92 3igh s PRO 144 Ca 0.02 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.60 3igh s PRO 144 Cb 0.04 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.50 3igh s PRO 144 CO -0.08 -0.65 -0.15 0.08 -0.33 0.00 0.00 177.00 175.86 3igh s VAL 145 N 0.64 1.35 -0.11 3.83 1.01 -1.26 -0.71 120.40 125.15 3igh s VAL 145 Ca 0.68 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3igh s VAL 145 Cb -0.47 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3igh s VAL 145 CO 0.39 0.40 0.02 0.12 0.00 0.00 0.00 175.10 176.03 3igh s PHE 146 N 0.55 0.73 -0.17 5.22 5.36 -0.63 -2.52 117.98 126.52 3igh s PHE 146 Ca -0.15 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.45 3igh s PHE 146 Cb -0.16 -0.86 0.03 0.00 -0.34 0.00 0.00 43.02 41.69 3igh s PHE 146 CO 0.05 -0.42 -0.14 0.96 -1.46 0.00 0.00 175.22 174.21 3igh s ILE 147 N 1.95 1.64 0.16 3.12 -4.36 0.13 -1.58 121.20 122.26 3igh s ILE 147 Ca 0.03 -0.77 -0.30 0.00 -0.26 0.00 0.00 60.65 59.35 3igh s ILE 147 Cb -0.14 -1.58 -0.07 0.00 1.25 0.00 0.00 42.46 41.92 3igh s ILE 147 CO -0.06 0.38 1.05 -0.31 0.24 0.00 0.00 174.94 176.24 3igh s TYR 148 N 1.44 3.68 0.61 1.37 2.02 -0.02 -1.41 117.35 125.04 3igh s TYR 148 Ca 0.03 1.67 -0.17 0.00 -0.37 0.00 0.00 57.07 58.23 3igh s TYR 148 Cb -0.14 -3.20 -0.02 0.00 -0.40 0.00 0.00 41.96 38.20 3igh s TYR 148 CO -0.10 -0.32 1.16 0.50 -1.57 0.00 0.00 175.55 175.21 3igh s ARG 149 N -0.24 2.93 0.02 -0.62 3.52 0.49 -1.53 118.95 123.52 3igh s ARG 149 Ca 0.49 1.63 -0.33 0.00 -0.13 0.00 0.00 55.73 57.39 3igh s ARG 149 Cb -0.27 -1.95 -0.17 0.00 -1.56 0.00 0.00 34.95 31.01 3igh s ARG 149 CO 0.33 -1.19 0.85 1.17 -0.81 0.00 0.00 175.30 175.65 3igh n LYS 150 N -1.89 0.00 -0.46 5.12 4.81 0.20 -1.03 118.16 124.91 3igh n LYS 150 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3igh n LYS 150 Cb 0.51 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.34 3igh n LYS 150 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3igh n PHE 152 N -2.00 -0.78 0.74 0.00 3.72 -0.20 -4.86 117.46 114.08 3igh n PHE 152 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3igh n PHE 152 Cb 0.00 -3.64 -0.03 0.00 -0.94 0.00 0.00 39.48 34.87 3igh n PHE 152 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3igh n HIS 153 N -3.80 0.00 -3.91 1.38 8.25 -1.26 -4.96 115.22 110.91 3igh n HIS 153 Ca -0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.13 3igh n HIS 153 Cb 0.67 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.66 3igh n HIS 153 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3igh s VAL 154 N -2.11 0.06 0.05 1.59 1.01 -1.26 -3.89 120.40 115.85 3igh s VAL 154 Ca 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3igh s VAL 154 Cb 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 3igh s VAL 154 CO 0.49 -0.26 -0.03 0.00 0.00 0.00 0.00 175.10 175.29 3igh s ALA 155 N -0.79 0.53 0.02 5.51 0.00 -0.22 -0.38 121.76 126.42 3igh s ALA 155 Ca -0.09 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 50.78 3igh s ALA 155 Cb -0.05 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3igh s ALA 155 CO -0.00 -0.33 -0.21 0.08 0.00 0.00 0.00 175.76 175.30 3igh s VAL 156 N -3.62 1.66 0.04 0.00 1.01 -0.50 -0.62 120.40 118.37 3igh s VAL 156 Ca 0.05 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3igh s VAL 156 Cb 0.06 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3igh s VAL 156 CO -0.08 0.33 -0.10 0.00 0.00 0.00 0.00 175.10 175.25 3igh s ALA 157 N -0.65 0.80 0.96 5.51 0.00 -0.92 -0.69 121.76 126.77 3igh s ALA 157 Ca 0.08 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 3igh s ALA 157 Cb -0.08 -0.07 0.21 0.00 0.00 0.00 0.00 23.12 23.17 3igh s ALA 157 CO 0.01 0.10 1.31 0.54 0.00 0.00 0.00 175.76 177.72 3igh s ASN 158 N -1.19 3.07 0.15 0.00 2.20 -1.05 -4.19 114.94 113.93 3igh s ASN 158 Ca -0.03 0.17 -0.18 0.00 -0.94 0.00 0.00 52.86 51.87 3igh s ASN 158 Cb -0.08 -0.19 0.04 0.00 -2.00 0.00 0.00 41.25 39.02 3igh s ASN 158 CO 0.01 -2.75 1.68 0.44 -2.94 0.00 0.00 177.10 173.54 3igh h ASP 159 N -1.62 -0.29 -0.91 3.54 3.45 -1.91 -1.39 116.42 117.29 3igh h ASP 159 Ca -0.44 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.11 3igh h ASP 159 Cb 1.23 0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 40.14 3igh h ASP 159 CO 0.35 -0.10 0.56 0.11 -1.57 0.00 0.00 179.24 178.59 3igh h LYS 160 N -0.00 1.23 -0.18 3.56 1.57 -1.95 -0.21 116.57 120.60 3igh h LYS 160 Ca 0.15 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 3igh h LYS 160 Cb 0.22 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3igh h LYS 160 CO -0.32 0.85 -0.70 1.98 -0.57 0.00 0.00 179.45 180.70 3igh h MET 161 N 1.26 0.73 -0.11 3.15 4.05 -1.78 -2.69 114.93 119.53 3igh h MET 161 Ca 0.33 -0.55 -0.07 0.00 -0.28 0.00 0.00 59.70 59.13 3igh h MET 161 Cb -0.07 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3igh h MET 161 CO -0.06 1.16 -0.26 -0.07 0.23 0.00 0.00 176.91 177.92 3igh h LEU 162 N 0.52 0.19 -0.15 3.39 3.38 -0.72 -0.42 115.31 121.49 3igh h LEU 162 Ca -0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3igh h LEU 162 Cb 1.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3igh h LEU 162 CO 0.14 0.45 0.08 -0.08 0.09 0.00 0.00 178.44 179.12 3igh h GLU 163 N 0.17 0.21 -0.61 1.13 4.57 -0.96 -1.60 114.58 117.50 3igh h GLU 163 Ca 0.03 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3igh h GLU 163 Cb 0.55 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3igh h GLU 163 CO 0.04 0.24 0.30 -0.07 -1.18 0.00 0.00 179.01 178.34 3igh h LEU 164 N 0.13 0.77 0.05 1.64 3.38 -1.10 -3.21 115.31 116.97 3igh h LEU 164 Ca 0.05 -0.07 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 3igh h LEU 164 Cb 0.09 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.67 3igh h LEU 164 CO -0.01 0.64 -1.18 -0.07 0.09 0.00 0.00 178.44 177.91 3igh h LEU 165 N 0.85 0.69 -3.17 1.67 3.38 -0.93 -3.48 115.31 114.34 3igh h LEU 165 Ca 0.21 -0.64 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 3igh h LEU 165 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3igh h LEU 165 CO -0.03 1.47 -0.97 -3.20 0.09 0.00 0.00 178.44 175.80 3igh n ASN 166 N -3.72 -3.28 -4.78 -0.43 5.15 -0.61 -4.90 115.26 102.69 3igh n ASN 166 Ca -0.11 -1.17 -0.36 0.00 -0.60 0.00 0.00 54.58 52.35 3igh n ASN 166 Cb 0.96 -2.41 -0.02 0.00 -0.53 0.00 0.00 39.78 37.78 3igh n ASN 166 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3igh s LEU 167 N -7.07 3.91 0.11 1.20 1.43 -1.26 -4.99 118.68 112.01 3igh s LEU 167 Ca 0.35 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 55.27 3igh s LEU 167 Cb -0.16 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.56 3igh s LEU 167 CO 0.93 -0.90 1.40 -0.89 0.23 0.00 0.00 176.35 177.12 3igh s THR 168 N -1.74 3.28 0.13 5.49 2.01 -1.26 -4.96 115.64 118.59 3igh s THR 168 Ca 0.66 0.91 -0.34 0.00 0.31 0.00 0.00 61.69 63.24 3igh s THR 168 Cb -0.23 -3.58 -0.13 0.00 0.01 0.00 0.00 72.50 68.56 3igh s THR 168 CO 0.27 0.07 1.64 -2.65 -0.69 0.00 0.00 174.62 173.26 3igh n PRO 169 N 4.03 2.22 -3.83 4.92 -0.02 -1.26 -4.87 135.00 136.18 3igh n PRO 169 Ca 0.12 0.80 -0.08 0.00 -2.02 0.00 0.00 63.50 62.32 3igh n PRO 169 Cb 0.42 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3igh n PRO 169 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3igh s SER 170 N 1.42 -0.12 0.55 2.55 1.04 -1.26 -5.03 113.70 112.85 3igh s SER 170 Ca 0.80 -0.86 0.33 0.00 0.48 0.00 0.00 55.95 56.71 3igh s SER 170 Cb -0.66 0.77 1.53 0.00 0.10 0.00 0.00 66.02 67.75 3igh s SER 170 CO 0.39 -1.48 2.06 0.07 0.98 0.00 0.00 173.24 175.26 3igh h LYS 171 N 2.00 0.00 -0.00 4.02 5.09 -2.01 -2.65 116.57 123.02 3igh h LYS 171 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.48 3igh h LYS 171 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 3igh h LYS 171 CO 0.32 0.06 -0.09 -0.25 -2.09 0.00 0.00 179.45 177.41 3igh n ASP 172 N -3.28 0.47 -3.91 7.07 8.00 -1.26 -4.59 116.55 119.04 3igh n ASP 172 Ca -0.01 -0.65 -0.30 0.00 0.71 0.00 0.00 54.79 54.54 3igh n ASP 172 Cb 0.26 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 3igh n ASP 172 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3igh s PHE 173 N -2.40 2.58 -0.44 1.24 5.36 -1.00 -1.48 117.98 121.84 3igh s PHE 173 Ca 0.31 -2.06 -0.21 0.00 -0.96 0.00 0.00 56.93 54.02 3igh s PHE 173 Cb 0.20 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.97 3igh s PHE 173 CO 0.45 -0.84 0.63 0.34 -1.46 0.00 0.00 175.22 174.35 3igh s ASP 174 N 1.32 6.32 0.28 6.13 2.15 -0.53 -4.45 116.67 127.89 3igh s ASP 174 Ca 0.02 -0.36 0.12 0.00 0.43 0.00 0.00 52.55 52.76 3igh s ASP 174 Cb -0.19 -2.32 0.36 0.00 -0.30 0.00 0.00 42.92 40.48 3igh s ASP 174 CO -0.11 -0.77 1.60 -0.33 -0.17 0.00 0.00 175.17 175.38 3igh h GLU 175 N 8.87 0.00 -0.03 4.34 5.08 -1.93 -0.62 114.58 130.30 3igh h GLU 175 Ca -0.25 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3igh h GLU 175 Cb 1.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.35 3igh h GLU 175 CO 0.89 0.60 -0.32 0.22 -1.00 0.00 0.00 179.01 179.39 3igh h ASP 176 N 0.00 0.33 1.22 1.42 -0.00 -1.97 -3.32 116.42 114.10 3igh h ASP 176 Ca -0.01 -0.72 0.00 0.00 -0.00 0.00 0.00 57.03 56.30 3igh h ASP 176 Cb 1.14 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.37 3igh h ASP 176 CO 0.08 1.00 -0.60 0.71 -0.00 0.00 0.00 179.24 180.43 3igh h THR 177 N -0.31 0.00 0.00 2.25 1.35 -1.98 -3.43 112.91 110.78 3igh h THR 177 Ca -0.03 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3igh h THR 177 Cb 1.03 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3igh h THR 177 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 3igh n GLY 178 N 1.21 0.52 3.67 5.82 0.00 -0.26 -0.69 105.19 115.47 3igh n GLY 178 Ca 0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3igh n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3igh s ILE 179 N -2.00 4.94 -0.13 -0.61 1.01 -1.09 -2.16 121.20 121.15 3igh s ILE 179 Ca 0.00 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.17 3igh s ILE 179 Cb 0.00 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.40 3igh s ILE 179 CO 0.00 0.08 -0.20 -0.63 0.00 0.00 0.00 174.94 174.19 3igh s ILE 180 N 1.88 1.89 0.24 2.92 1.01 0.21 -1.45 121.20 127.90 3igh s ILE 180 Ca 0.36 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3igh s ILE 180 Cb -0.17 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3igh s ILE 180 CO 0.13 0.52 0.30 -1.59 0.00 0.00 0.00 174.94 174.30 3igh s LYS 181 N 0.89 1.43 4.32 2.79 -2.85 -0.55 -1.06 119.74 124.71 3igh s LYS 181 Ca -0.06 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.38 3igh s LYS 181 Cb -0.15 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 3igh s LYS 181 CO -0.02 -0.54 0.00 0.39 0.10 0.00 0.00 175.35 175.28 3igh n GLU 182 N -0.36 0.00 0.21 1.78 1.02 -1.25 -1.82 120.64 120.22 3igh n GLU 182 Ca 0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 3igh n GLU 182 Cb 0.64 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.32 3igh n GLU 182 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3igh h LYS 183 N 0.00 0.00 -0.09 3.49 2.10 -1.97 -2.42 116.57 117.67 3igh h LYS 183 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 3igh h LYS 183 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3igh h LYS 183 CO 0.00 0.14 -0.44 0.77 -2.00 0.00 0.00 179.45 177.91 3igh h SER 184 N 0.00 0.23 -0.13 7.07 0.02 -1.63 -0.87 113.55 118.24 3igh h SER 184 Ca -0.00 -0.10 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 3igh h SER 184 Cb 0.97 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3igh h SER 184 CO 0.02 0.65 -0.60 0.25 -1.14 0.00 0.00 176.83 176.00 3igh h LEU 185 N 0.18 0.83 -0.99 5.07 5.85 -1.21 0.00 115.31 125.04 3igh h LEU 185 Ca 0.01 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3igh h LEU 185 Cb 0.86 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3igh h LEU 185 CO 0.07 1.24 0.58 -0.33 -0.34 0.00 0.00 178.44 179.66 3igh h GLU 186 N 0.55 1.27 -0.20 1.25 3.07 -1.30 -0.48 114.58 118.74 3igh h GLU 186 Ca -0.00 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 3igh h GLU 186 Cb 1.20 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 3igh h GLU 186 CO 0.12 0.88 -0.01 1.49 -1.40 0.00 0.00 179.01 180.09 3igh h GLU 187 N 1.30 0.36 -0.89 2.33 4.81 -1.00 -2.40 114.58 119.09 3igh h GLU 187 Ca 0.34 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3igh h GLU 187 Cb -0.07 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 3igh h GLU 187 CO -0.07 0.57 0.58 0.00 -0.73 0.00 0.00 179.01 179.37 3igh h ALA 188 N 0.78 1.45 -0.26 2.92 0.00 -0.68 -0.40 119.26 123.07 3igh h ALA 188 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3igh h ALA 188 Cb 0.42 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3igh h ALA 188 CO 0.01 0.46 -0.40 0.00 0.00 0.00 0.00 179.25 179.32 3igh h ARG 189 N 1.10 0.73 -0.53 0.00 3.08 -1.05 -0.41 114.38 117.31 3igh h ARG 189 Ca 0.36 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3igh h ARG 189 Cb 0.04 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3igh h ARG 189 CO -0.11 1.06 0.32 -0.22 -1.07 0.00 0.00 179.97 179.95 3igh h LYS 190 N 0.46 0.63 -0.44 0.04 3.64 -0.95 -0.95 116.57 119.00 3igh h LYS 190 Ca 0.02 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3igh h LYS 190 Cb 0.99 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 3igh h LYS 190 CO 0.09 0.42 0.03 0.28 -2.27 0.00 0.00 179.45 178.00 3igh h VAL 191 N 0.65 1.26 -0.10 2.00 2.07 -0.92 0.05 116.25 121.26 3igh h VAL 191 Ca 0.21 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3igh h VAL 191 Cb -0.00 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3igh h VAL 191 CO -0.08 0.34 -0.02 0.40 0.02 0.00 0.00 177.57 178.23 3igh h ILE 192 N 0.61 0.91 -0.11 4.57 2.04 -0.95 0.70 117.51 125.28 3igh h ILE 192 Ca 0.13 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.87 3igh h ILE 192 Cb 0.45 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3igh h ILE 192 CO 0.02 0.00 -0.43 0.78 0.00 0.00 0.00 178.15 178.51 3igh h ASN 193 N 0.01 0.28 0.05 1.72 2.35 -0.92 -1.35 115.58 117.72 3igh h ASN 193 Ca 0.05 -0.12 -0.37 0.00 -0.55 0.00 0.00 56.30 55.31 3igh h ASN 193 Cb 0.07 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 3igh h ASN 193 CO -0.10 0.68 -2.33 -0.62 -1.65 0.00 0.00 177.43 173.41 3igh n GLU 194 N -4.01 0.68 -0.01 0.81 1.02 -0.02 -4.72 120.64 114.39 3igh n GLU 194 Ca -0.02 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 3igh n GLU 194 Cb 0.50 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 3igh n GLU 194 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3igh n ARG 195 N -2.93 0.06 -0.04 3.49 0.63 0.10 -4.85 116.66 113.12 3igh n ARG 195 Ca -0.35 0.02 -0.14 0.00 -0.92 0.00 0.00 57.85 56.47 3igh n ARG 195 Cb 1.11 -0.70 -0.09 0.00 0.45 0.00 0.00 32.46 33.23 3igh n ARG 195 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3igh h VAL 196 N -0.07 1.40 -3.82 5.15 2.07 -1.08 -3.43 116.25 116.47 3igh h VAL 196 Ca -0.06 -1.53 -0.49 0.00 0.82 0.00 0.00 66.70 65.43 3igh h VAL 196 Cb 1.07 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3igh h VAL 196 CO -0.03 0.44 0.40 -0.76 0.02 0.00 0.00 177.57 177.64 3igh s LEU 197 N -8.88 4.50 0.40 2.57 1.43 -0.52 -5.06 118.68 113.12 3igh s LEU 197 Ca -0.14 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.07 3igh s LEU 197 Cb 0.04 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3igh s LEU 197 CO 0.76 -0.07 0.56 0.42 0.23 0.00 0.00 176.35 178.25 3igh s THR 198 N -1.31 3.51 0.27 5.49 -4.23 -1.26 -4.81 115.64 113.30 3igh s THR 198 Ca 0.46 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 3igh s THR 198 Cb -0.26 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.61 3igh s THR 198 CO 0.33 -0.10 1.83 0.58 -0.54 0.00 0.00 174.62 176.72 3igh h VAL 199 N 0.66 0.91 -0.97 2.29 2.07 -1.97 -1.56 116.25 117.68 3igh h VAL 199 Ca -0.43 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3igh h VAL 199 Cb 1.27 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3igh h VAL 199 CO 0.50 0.17 0.63 -0.08 0.02 0.00 0.00 177.57 178.80 3igh h GLU 200 N 0.92 1.08 -0.35 1.57 4.81 -1.95 0.83 114.58 121.49 3igh h GLU 200 Ca 0.46 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3igh h GLU 200 Cb 0.44 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3igh h GLU 200 CO -0.26 0.71 0.16 -0.44 -0.73 0.00 0.00 179.01 178.45 3igh h ASP 201 N 1.11 0.47 -0.83 1.04 3.32 -1.69 -1.84 116.42 118.01 3igh h ASP 201 Ca 0.42 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3igh h ASP 201 Cb 0.20 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3igh h ASP 201 CO -0.17 0.48 0.41 1.88 -1.72 0.00 0.00 179.24 180.13 3igh h TYR 202 N 0.43 1.19 -0.32 4.55 -1.99 -0.83 0.32 116.97 120.31 3igh h TYR 202 Ca 0.12 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.82 3igh h TYR 202 Cb 0.15 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 38.48 3igh h TYR 202 CO -0.01 0.85 0.17 0.28 -0.00 0.00 0.00 178.16 179.45 3igh h VAL 203 N 1.17 1.00 -0.26 -2.88 2.07 -0.73 0.09 116.25 116.72 3igh h VAL 203 Ca 0.29 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3igh h VAL 203 Cb 0.10 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3igh h VAL 203 CO -0.04 0.06 0.17 0.22 0.02 0.00 0.00 177.57 178.01 3igh h TYR 204 N 0.35 0.32 -0.56 1.57 3.20 -0.94 -0.92 116.97 120.00 3igh h TYR 204 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3igh h TYR 204 Cb 0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3igh h TYR 204 CO -0.09 0.20 0.19 1.88 -1.64 0.00 0.00 178.16 178.70 3igh h TYR 205 N 0.35 0.88 -0.51 -3.82 0.05 -0.70 -1.66 116.97 111.56 3igh h TYR 205 Ca 0.09 -0.08 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 3igh h TYR 205 Cb -0.04 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 3igh h TYR 205 CO -0.06 0.73 -0.17 0.82 -1.05 0.00 0.00 178.16 178.43 3igh h ILE 206 N 0.78 1.27 -0.61 -2.88 2.04 -0.86 -0.68 117.51 116.56 3igh h ILE 206 Ca 0.18 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3igh h ILE 206 Cb 0.25 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3igh h ILE 206 CO -0.01 0.47 0.39 0.11 0.00 0.00 0.00 178.15 179.11 3igh h LYS 207 N 0.88 0.82 -0.34 2.37 1.57 -1.05 0.00 116.57 120.83 3igh h LYS 207 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3igh h LYS 207 Cb 0.75 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3igh h LYS 207 CO 0.06 0.56 0.16 -0.09 -0.57 0.00 0.00 179.45 179.57 3igh h ARG 208 N 0.83 0.50 -0.22 3.15 9.65 -1.07 -2.54 114.38 124.68 3igh h ARG 208 Ca 0.22 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3igh h ARG 208 Cb -0.07 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.41 3igh h ARG 208 CO -0.05 0.46 0.13 0.00 2.80 0.00 0.00 179.97 183.31 3igh h ALA 209 N 1.01 0.28 -0.28 2.80 0.00 -0.85 -2.59 119.26 119.62 3igh h ALA 209 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3igh h ALA 209 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3igh h ALA 209 CO -0.01 -0.22 -0.10 -0.56 0.00 0.00 0.00 179.25 178.36 3igh h GLN 210 N 0.26 0.46 -0.20 0.00 3.07 -0.96 -0.54 115.11 117.21 3igh h GLN 210 Ca 0.08 -0.12 -0.14 0.00 0.09 0.00 0.00 58.65 58.55 3igh h GLN 210 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 3igh h GLN 210 CO -0.01 0.57 -0.48 1.05 0.09 0.00 0.00 178.83 180.04 3igh h GLU 211 N 0.43 0.53 -0.32 0.06 4.11 -1.40 0.52 114.58 118.52 3igh h GLU 211 Ca 0.08 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 3igh h GLU 211 Cb 0.44 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3igh h GLU 211 CO 0.02 0.89 0.16 1.25 0.07 0.00 0.00 179.01 181.41 3igh h HIS 212 N 0.42 0.45 -0.36 2.06 2.76 -1.05 -1.78 115.15 117.65 3igh h HIS 212 Ca 0.02 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 3igh h HIS 212 Cb 1.00 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3igh h HIS 212 CO 0.04 0.38 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.88 3igh h LEU 213 N 0.38 0.72 -0.84 0.26 3.38 -0.96 -2.79 115.31 115.47 3igh h LEU 213 Ca 0.11 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3igh h LEU 213 Cb 0.10 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3igh h LEU 213 CO -0.02 0.92 0.51 0.25 0.09 0.00 0.00 178.44 180.20 3igh h LEU 214 N 0.51 1.00 -2.12 1.67 5.85 -0.86 -0.70 115.31 120.66 3igh h LEU 214 Ca 0.09 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3igh h LEU 214 Cb 0.62 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3igh h LEU 214 CO 0.04 0.77 -0.08 0.44 -0.34 0.00 0.00 178.44 179.27 3igh h ASP 215 N 1.15 0.00 0.13 1.25 3.32 -1.24 -1.73 116.42 119.30 3igh h ASP 215 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3igh h ASP 215 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3igh h ASP 215 CO -0.06 0.08 -0.13 0.18 -1.72 0.00 0.00 179.24 177.58 3igh n LEU 216 N -3.60 1.18 0.00 1.55 4.77 -0.43 -4.94 117.00 115.52 3igh n LEU 216 Ca -0.02 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3igh n LEU 216 Cb 0.19 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3igh n LEU 216 CO 0.28 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3igh n GLY 217 N 1.26 0.61 3.47 -0.72 0.00 -0.65 -4.69 105.19 104.47 3igh n GLY 217 Ca 0.15 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3igh n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3igh s VAL 218 N -2.00 4.96 -1.35 1.61 1.01 -0.40 -1.63 120.40 122.60 3igh s VAL 218 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 61.98 61.76 3igh s VAL 218 Cb 0.00 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.22 3igh s VAL 218 CO 0.00 -0.62 0.80 0.29 0.00 0.00 0.00 175.10 175.57 3igh n LYS 219 N 5.94 1.68 -3.85 2.72 5.02 -0.72 -3.56 118.16 125.38 3igh n LYS 219 Ca -0.06 -0.84 -0.12 0.00 -2.02 0.00 0.00 58.31 55.27 3igh n LYS 219 Cb 0.46 -1.21 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 3igh n LYS 219 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3igh s SER 220 N -1.58 -0.06 0.03 4.39 0.01 -1.21 -1.37 113.70 113.91 3igh s SER 220 Ca 0.12 0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.40 3igh s SER 220 Cb 0.11 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 3igh s SER 220 CO 0.31 -0.19 0.04 0.68 0.41 0.00 0.00 173.24 174.49 3igh s VAL 221 N -0.57 0.14 -0.29 3.43 -7.23 0.25 -1.51 120.40 114.62 3igh s VAL 221 Ca -0.07 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 3igh s VAL 221 Cb -0.04 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 3igh s VAL 221 CO 0.01 -0.62 0.26 -0.44 -0.31 0.00 0.00 175.10 174.00 3igh s SER 222 N -2.00 6.10 -0.41 4.85 0.01 -0.59 -0.74 113.70 120.93 3igh s SER 222 Ca -0.07 0.00 -0.18 0.00 1.31 0.00 0.00 55.95 57.01 3igh s SER 222 Cb -0.03 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 64.06 3igh s SER 222 CO -0.04 -0.14 0.51 0.12 0.41 0.00 0.00 173.24 174.10 3igh s PHE 223 N 1.87 3.14 0.06 2.43 5.36 -0.21 -1.62 117.98 129.02 3igh s PHE 223 Ca 0.10 -0.15 -0.12 0.00 -0.96 0.00 0.00 56.93 55.80 3igh s PHE 223 Cb -0.16 -3.02 -0.06 0.00 -0.34 0.00 0.00 43.02 39.44 3igh s PHE 223 CO 0.11 -0.70 0.43 -1.64 -1.46 0.00 0.00 175.22 171.95 3igh s MET 224 N 2.38 3.84 -1.15 10.12 -1.94 -0.38 -0.55 119.30 131.61 3igh s MET 224 Ca 0.16 0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 54.38 3igh s MET 224 Cb -0.16 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 3igh s MET 224 CO 0.15 0.59 0.86 0.43 -0.01 0.00 0.00 175.02 177.04 3igh n SER 225 N 1.18 -4.33 -4.64 3.03 7.64 0.31 -4.72 113.62 112.08 3igh n SER 225 Ca -0.09 -0.78 -0.43 0.00 1.01 0.00 0.00 58.87 58.58 3igh n SER 225 Cb 0.52 -4.57 -0.02 0.00 -1.01 0.00 0.00 64.21 59.13 3igh n SER 225 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3igh s VAL 226 N -3.46 4.03 0.10 0.44 1.01 -0.12 -4.71 120.40 117.68 3igh s VAL 226 Ca 0.28 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 3igh s VAL 226 Cb -0.06 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.43 3igh s VAL 226 CO 0.78 -0.26 0.13 -0.46 0.00 0.00 0.00 175.10 175.29 3igh n ASN 227 N 7.37 0.12 0.00 3.32 0.23 -1.26 -1.92 115.26 123.12 3igh n ASN 227 Ca 0.16 -1.12 -0.12 0.00 -0.53 0.00 0.00 54.58 52.97 3igh n ASN 227 Cb 0.45 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 37.99 3igh n ASN 227 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3igh h GLU 228 N 0.00 0.08 -0.08 -3.83 3.07 -1.95 -0.84 114.58 111.03 3igh h GLU 228 Ca -0.04 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.63 3igh h GLU 228 Cb 0.15 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3igh h GLU 228 CO 0.04 0.22 -0.67 0.87 -1.40 0.00 0.00 179.01 178.08 3igh h LYS 229 N -0.09 0.36 -0.72 2.33 1.57 -1.95 -1.81 116.57 116.27 3igh h LYS 229 Ca 0.02 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3igh h LYS 229 Cb 0.18 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3igh h LYS 229 CO -0.00 0.90 0.31 0.00 -0.57 0.00 0.00 179.45 180.09 3igh h ALA 230 N 1.03 0.93 -0.48 3.86 0.00 -1.91 -1.25 119.26 121.44 3igh h ALA 230 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3igh h ALA 230 Cb 1.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3igh h ALA 230 CO 0.11 0.52 0.20 1.25 0.00 0.00 0.00 179.25 181.34 3igh h LEU 231 N 1.01 0.66 -0.80 0.00 5.85 -0.99 -0.14 115.31 120.89 3igh h LEU 231 Ca 0.24 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3igh h LEU 231 Cb 0.17 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3igh h LEU 231 CO -0.02 0.63 0.49 0.03 -0.34 0.00 0.00 178.44 179.23 3igh h ARG 232 N 0.64 0.89 -0.41 1.25 3.08 -1.15 -0.97 114.38 117.70 3igh h ARG 232 Ca 0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3igh h ARG 232 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3igh h ARG 232 CO -0.02 0.59 0.17 0.00 -1.07 0.00 0.00 179.97 179.65 3igh h ALA 233 N 1.37 0.53 -0.44 0.04 0.00 -0.93 -1.53 119.26 118.30 3igh h ALA 233 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3igh h ALA 233 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3igh h ALA 233 CO -0.16 0.12 0.26 -0.07 0.00 0.00 0.00 179.25 179.40 3igh h LEU 234 N 0.52 0.53 -0.63 0.00 3.38 -0.60 -0.60 115.31 117.91 3igh h LEU 234 Ca 0.14 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3igh h LEU 234 Cb 0.17 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3igh h LEU 234 CO -0.01 0.44 0.37 -0.26 0.09 0.00 0.00 178.44 179.07 3igh h PHE 235 N 0.57 0.69 0.17 1.13 0.04 -1.12 -0.63 116.94 117.80 3igh h PHE 235 Ca 0.16 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3igh h PHE 235 Cb 0.01 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 3igh h PHE 235 CO -0.03 0.37 -0.15 -0.92 -0.60 0.00 0.00 178.31 176.98 3igh h TYR 236 N 0.72 -0.40 -0.76 -0.55 3.20 -0.92 -1.91 116.97 116.35 3igh h TYR 236 Ca 0.27 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3igh h TYR 236 Cb 0.08 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3igh h TYR 236 CO -0.06 -0.23 0.43 -0.07 -1.64 0.00 0.00 178.16 176.59 3igh h LEU 237 N -0.34 0.94 -0.26 2.82 3.38 -0.90 -1.30 115.31 119.65 3igh h LEU 237 Ca -0.00 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3igh h LEU 237 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3igh h LEU 237 CO -0.03 0.75 0.08 -0.08 0.09 0.00 0.00 178.44 179.26 3igh h GLU 238 N 1.05 0.19 0.00 1.13 4.57 -1.06 0.19 114.58 120.65 3igh h GLU 238 Ca 0.27 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 3igh h GLU 238 Cb 0.01 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3igh h GLU 238 CO -0.05 0.13 -0.49 0.07 -1.18 0.00 0.00 179.01 177.49 3igh h ARG 239 N 0.20 0.00 -0.00 1.92 0.11 -1.01 -2.41 114.38 113.19 3igh h ARG 239 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3igh h ARG 239 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3igh h ARG 239 CO -0.12 0.49 -0.03 0.39 0.10 0.00 0.00 179.97 180.80 3igh n GLU 240 N -3.66 0.37 -2.57 0.08 -0.58 -0.52 -4.92 120.64 108.85 3igh n GLU 240 Ca -0.01 -0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.54 3igh n GLU 240 Cb 0.56 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.94 3igh n GLU 240 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3igh n GLY 241 N 1.33 -0.29 0.70 0.62 0.00 -0.74 -4.91 105.19 101.90 3igh n GLY 241 Ca 0.13 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3igh n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3igh n LYS 242 N -2.93 2.65 -2.84 1.61 5.02 0.59 -4.89 118.16 117.37 3igh n LYS 242 Ca -0.15 -2.04 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 3igh n LYS 242 Cb 0.62 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 3igh n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3igh s LEU 243 N -1.00 4.04 0.00 -0.35 1.43 -1.14 -4.93 118.68 116.72 3igh s LEU 243 Ca 0.25 0.74 0.22 0.00 -1.03 0.00 0.00 54.13 54.31 3igh s LEU 243 Cb 0.13 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 43.18 3igh s LEU 243 CO 0.18 -0.73 1.12 -1.54 0.23 0.00 0.00 176.35 175.61 3igh n SER 244 N 6.48 2.30 -4.21 2.29 3.41 -1.26 -4.92 113.62 117.71 3igh n SER 244 Ca 0.06 -1.65 -0.14 0.00 -0.26 0.00 0.00 58.87 56.88 3igh n SER 244 Cb 0.48 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.65 3igh n SER 244 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3igh s ILE 245 N -2.27 1.07 0.05 -1.33 -4.36 -1.26 -5.04 121.20 108.05 3igh s ILE 245 Ca 0.21 -1.84 -0.31 0.00 -0.26 0.00 0.00 60.65 58.45 3igh s ILE 245 Cb 0.18 -1.61 -0.06 0.00 1.25 0.00 0.00 42.46 42.23 3igh s ILE 245 CO 0.47 -0.64 1.26 0.20 0.24 0.00 0.00 174.94 176.47 3igh s ASN 246 N -2.79 7.00 -0.19 4.36 0.01 -0.47 -4.79 114.94 118.07 3igh s ASN 246 Ca 0.11 2.06 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 3igh s ASN 246 Cb -0.00 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.11 3igh s ASN 246 CO 0.00 -0.55 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.20 3igh s VAL 247 N 1.41 1.82 -0.50 1.60 1.01 -0.09 -0.58 120.40 125.06 3igh s VAL 247 Ca 0.60 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 3igh s VAL 247 Cb -0.30 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.42 3igh s VAL 247 CO 0.28 0.35 0.44 -0.36 0.00 0.00 0.00 175.10 175.81 3igh s PHE 248 N 1.35 3.27 -0.22 5.22 0.08 0.09 -0.77 117.98 126.99 3igh s PHE 248 Ca 0.02 -1.21 -0.28 0.00 0.12 0.00 0.00 56.93 55.58 3igh s PHE 248 Cb -0.15 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 3igh s PHE 248 CO -0.10 -0.92 0.98 0.00 -0.10 0.00 0.00 175.22 175.07 3igh s ALA 249 N 1.59 3.66 -0.38 5.36 0.00 0.02 -1.04 121.76 130.96 3igh s ALA 249 Ca 0.04 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 3igh s ALA 249 Cb -0.27 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.43 3igh s ALA 249 CO 0.04 -0.98 0.19 0.71 0.00 0.00 0.00 175.76 175.72 3igh s TYR 250 N 3.00 3.29 0.62 0.00 1.51 0.28 -1.32 117.35 124.73 3igh s TYR 250 Ca 0.42 -1.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.03 3igh s TYR 250 Cb -0.15 -2.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.11 3igh s TYR 250 CO 0.07 -0.75 1.00 0.14 -1.11 0.00 0.00 175.55 174.90 3igh s VAL 251 N 1.45 4.21 0.67 0.71 -7.23 0.05 -0.53 120.40 119.74 3igh s VAL 251 Ca 0.01 0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 60.60 3igh s VAL 251 Cb -0.21 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.05 3igh s VAL 251 CO 0.04 -0.85 1.07 0.42 -0.31 0.00 0.00 175.10 175.46 3igh s THR 252 N -3.15 3.69 0.42 5.32 -4.23 -0.81 -0.78 115.64 116.11 3igh s THR 252 Ca 0.55 0.66 0.18 0.00 -1.18 0.00 0.00 61.69 61.90 3igh s THR 252 Cb -0.11 -3.25 0.38 0.00 1.34 0.00 0.00 72.50 70.86 3igh s THR 252 CO 0.51 -0.61 1.86 -0.65 -0.54 0.00 0.00 174.62 175.19 3igh h PRO 253 N -0.32 0.38 -0.51 3.99 0.11 -1.94 -0.61 132.00 133.11 3igh h PRO 253 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3igh h PRO 253 Cb 1.22 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3igh h PRO 253 CO 0.55 0.25 0.01 0.93 -0.21 0.00 0.00 178.00 179.54 3igh h GLU 254 N 0.40 0.89 -0.37 1.05 3.07 -1.97 -2.29 114.58 115.35 3igh h GLU 254 Ca 0.45 -0.28 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 3igh h GLU 254 Cb 1.14 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 3igh h GLU 254 CO -0.16 0.91 -0.23 0.28 -1.40 0.00 0.00 179.01 178.40 3igh h VAL 255 N 0.76 1.27 -0.91 3.13 2.07 -1.70 -3.04 116.25 117.83 3igh h VAL 255 Ca 0.15 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 66.40 3igh h VAL 255 Cb 0.50 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 3igh h VAL 255 CO 0.02 0.45 0.56 0.25 0.02 0.00 0.00 177.57 178.87 3igh h LEU 256 N 0.65 0.86 -1.01 2.57 5.85 -0.85 -0.19 115.31 123.20 3igh h LEU 256 Ca 0.09 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3igh h LEU 256 Cb 0.74 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3igh h LEU 256 CO 0.06 0.52 0.64 0.44 -0.34 0.00 0.00 178.44 179.76 3igh h ASP 257 N 0.98 0.97 0.19 1.25 3.32 -1.30 -0.43 116.42 121.40 3igh h ASP 257 Ca 0.42 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.32 3igh h ASP 257 Cb 0.28 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3igh h ASP 257 CO -0.21 0.55 -0.71 0.11 -1.72 0.00 0.00 179.24 177.26 3igh h LYS 258 N 1.05 0.46 -0.24 3.56 1.57 -1.10 -2.55 116.57 119.32 3igh h LYS 258 Ca 0.48 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3igh h LYS 258 Cb 0.39 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3igh h LYS 258 CO -0.24 0.99 0.16 -0.07 -0.57 0.00 0.00 179.45 179.72 3igh h LEU 259 N 0.32 0.27 -1.32 2.94 3.38 -0.50 -2.87 115.31 117.53 3igh h LEU 259 Ca -0.03 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3igh h LEU 259 Cb 1.28 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3igh h LEU 259 CO 0.12 0.20 0.53 -0.08 0.09 0.00 0.00 178.44 179.31 3igh h GLU 260 N 0.32 0.73 0.00 1.13 4.57 -1.04 -0.97 114.58 119.32 3igh h GLU 260 Ca 0.09 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3igh h GLU 260 Cb -0.04 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.39 3igh h GLU 260 CO -0.02 0.48 -0.01 0.66 -1.18 0.00 0.00 179.01 178.94 3igh h SER 261 N 0.75 0.00 -0.01 1.04 4.64 -1.21 -1.98 113.55 116.78 3igh h SER 261 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3igh h SER 261 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3igh h SER 261 CO -0.15 0.01 -0.14 2.30 -0.87 0.00 0.00 176.83 177.99 3igh n ILE 262 N -3.76 0.00 -0.94 0.95 -5.35 -0.88 -4.99 119.36 104.39 3igh n ILE 262 Ca -0.03 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3igh n ILE 262 Cb 0.10 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 3igh n ILE 262 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3igh n GLY 263 N 0.78 0.43 3.63 3.28 0.00 -0.50 -5.01 105.19 107.81 3igh n GLY 263 Ca 0.05 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 3igh n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3igh s LEU 264 N 0.00 3.88 0.00 0.99 2.96 -0.49 -4.97 118.68 121.05 3igh s LEU 264 Ca 0.00 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 3igh s LEU 264 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3igh s LEU 264 CO 0.00 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 174.65 3igh n GLY 265 N 4.13 3.79 3.69 7.98 0.00 -1.26 -4.42 105.19 119.10 3igh n GLY 265 Ca 0.13 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 44.01 3igh n GLY 265 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3igh n ARG 266 N 0.00 2.30 -3.66 1.61 0.63 -0.94 -4.80 116.66 111.79 3igh n ARG 266 Ca 0.00 0.83 -0.10 0.00 -0.92 0.00 0.00 57.85 57.66 3igh n ARG 266 Cb 0.00 -2.59 -0.10 0.00 0.45 0.00 0.00 32.46 30.22 3igh n ARG 266 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3igh s PHE 267 N 0.71 -0.72 -0.37 -0.14 5.36 -1.03 -4.99 117.98 116.80 3igh s PHE 267 Ca 0.75 1.41 -0.11 0.00 -0.96 0.00 0.00 56.93 58.02 3igh s PHE 267 Cb -0.63 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.31 3igh s PHE 267 CO 0.40 -0.45 0.20 -1.14 -1.46 0.00 0.00 175.22 172.76 3igh s GLN 268 N 2.57 2.88 0.00 10.12 2.00 -1.26 -0.78 119.66 135.19 3igh s GLN 268 Ca -0.01 -1.04 0.00 0.00 -2.00 0.00 0.00 55.36 52.31 3igh s GLN 268 Cb -0.12 -3.70 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3igh s GLN 268 CO -0.12 -0.66 0.00 0.41 -0.50 0.00 0.00 175.29 174.42 3igh n GLY 269 N 4.99 1.35 0.12 2.59 0.00 0.51 -5.01 105.19 109.74 3igh n GLY 269 Ca -0.12 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 3igh n GLY 269 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3igh h ASN 270 N 0.00 -0.16 0.00 1.61 -1.24 -1.97 -3.42 115.58 110.40 3igh h ASN 270 Ca 0.00 -0.39 -0.03 0.00 0.71 0.00 0.00 56.30 56.59 3igh h ASN 270 Cb 0.00 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3igh h ASN 270 CO 0.00 0.38 -1.12 0.54 -1.29 0.00 0.00 177.43 175.95 3igh n ARG 271 N -4.92 3.72 -3.43 6.67 5.12 -1.26 -5.01 116.66 117.55 3igh n ARG 271 Ca -0.08 -0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.47 3igh n ARG 271 Cb 0.27 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 30.46 3igh n ARG 271 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3igh s LEU 272 N -4.12 4.24 -0.15 0.55 2.96 -1.26 -0.92 118.68 119.97 3igh s LEU 272 Ca -0.01 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 3igh s LEU 272 Cb 0.01 -2.52 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 3igh s LEU 272 CO 0.07 0.03 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.09 3igh s THR 273 N 0.67 2.74 -0.55 3.68 2.01 0.05 -0.37 115.64 123.86 3igh s THR 273 Ca 0.20 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 3igh s THR 273 Cb -0.14 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3igh s THR 273 CO 0.07 0.51 1.35 -0.63 -0.69 0.00 0.00 174.62 175.23 3igh s ILE 274 N 0.76 3.87 -0.20 1.82 -1.09 0.04 -0.80 121.20 125.59 3igh s ILE 274 Ca -0.06 0.77 0.01 0.00 -2.23 0.00 0.00 60.65 59.14 3igh s ILE 274 Cb -0.15 -4.50 -0.13 0.00 -1.58 0.00 0.00 42.46 36.10 3igh s ILE 274 CO 0.01 -1.18 -0.18 0.00 -1.23 0.00 0.00 174.94 172.37 3igh n ALA 275 N 9.17 1.57 -3.00 9.38 0.00 -0.43 -2.48 120.51 134.73 3igh n ALA 275 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3igh n ALA 275 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3igh n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igh n GLY 276 N 2.55 0.82 3.37 0.00 0.00 -0.85 -0.97 105.19 110.10 3igh n GLY 276 Ca -0.35 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 3igh n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igh s VAL 277 N -2.23 2.13 -0.17 1.61 0.11 -0.46 -0.77 120.40 120.63 3igh s VAL 277 Ca 0.00 -1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 57.32 3igh s VAL 277 Cb 0.00 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 3igh s VAL 277 CO 0.00 0.05 -0.09 -0.75 -3.33 0.00 0.00 175.10 170.98 3igh s LYS 278 N -2.03 3.43 0.31 1.54 2.47 0.04 -1.40 119.74 124.08 3igh s LYS 278 Ca 0.12 -0.64 0.10 0.00 -1.56 0.00 0.00 55.97 54.00 3igh s LYS 278 Cb -0.10 -2.81 -0.06 0.00 -1.46 0.00 0.00 37.83 33.40 3igh s LYS 278 CO 0.06 0.07 -0.13 -0.51 0.16 0.00 0.00 175.35 174.99 3igh s LEU 279 N 0.75 2.65 -0.04 5.43 1.43 0.84 -4.40 118.68 125.34 3igh s LEU 279 Ca -0.04 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 3igh s LEU 279 Cb -0.15 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.09 3igh s LEU 279 CO 0.02 -0.12 -0.15 -0.36 0.23 0.00 0.00 176.35 175.96 3igh s PHE 280 N -2.63 1.53 -0.23 0.29 0.08 -1.26 -0.52 117.98 115.24 3igh s PHE 280 Ca 0.31 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 3igh s PHE 280 Cb -0.00 -1.04 -0.18 0.00 -0.57 0.00 0.00 43.02 41.23 3igh s PHE 280 CO 0.15 -0.15 -0.11 0.25 -0.10 0.00 0.00 175.22 175.26 3igh n THR 281 N 3.19 1.56 -4.08 0.64 -2.24 -0.62 -4.10 114.28 108.63 3igh n THR 281 Ca -0.18 -0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 61.03 3igh n THR 281 Cb 0.53 -1.62 -0.02 0.00 -2.10 0.00 0.00 70.33 67.12 3igh n THR 281 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3igh n ASP 282 N -3.59 -0.20 0.00 3.42 5.75 -1.26 0.49 116.55 121.17 3igh n ASP 282 Ca -0.44 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3igh n ASP 282 Cb 0.96 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 3igh n ASP 282 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3igh n GLY 283 N -0.18 1.11 3.35 6.12 0.00 -0.59 -4.84 105.19 110.16 3igh n GLY 283 Ca 0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 3igh n GLY 283 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3igh s SER 284 N -1.00 2.67 0.28 1.61 1.04 -1.26 -4.06 113.70 112.98 3igh s SER 284 Ca 0.00 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.49 3igh s SER 284 Cb 0.00 -0.15 0.43 0.00 0.10 0.00 0.00 66.02 66.39 3igh s SER 284 CO 0.00 -0.12 1.72 -0.07 0.98 0.00 0.00 173.24 175.75 3igh h LEU 285 N 2.72 0.42 -0.29 2.42 3.38 -1.93 0.55 115.31 122.58 3igh h LEU 285 Ca -0.39 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.46 3igh h LEU 285 Cb 1.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3igh h LEU 285 CO 0.59 0.71 0.10 1.23 0.09 0.00 0.00 178.44 181.15 3igh h GLY 286 N 1.05 0.36 0.32 0.83 0.00 -1.98 -2.27 103.07 101.39 3igh h GLY 286 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3igh h GLY 286 CO 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 176.54 176.57 3igh n ALA 287 N -2.30 2.70 -3.05 3.60 0.00 -1.21 -4.92 120.51 115.33 3igh n ALA 287 Ca -0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 3igh n ALA 287 Cb 0.10 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.30 3igh n ALA 287 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3igh n ARG 288 N -0.49 -5.06 0.00 0.00 1.74 -0.85 -4.91 116.66 107.08 3igh n ARG 288 Ca 0.18 0.89 0.07 0.00 -0.77 0.00 0.00 57.85 58.22 3igh n ARG 288 Cb 0.28 -5.72 -0.02 0.00 -1.02 0.00 0.00 32.46 25.98 3igh n ARG 288 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3igh n THR 289 N -4.54 0.00 -2.19 0.55 -2.24 0.09 -3.91 114.28 102.05 3igh n THR 289 Ca -0.10 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3igh n THR 289 Cb 0.61 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 3igh n THR 289 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3igh s ALA 290 N -1.80 3.49 -0.38 6.98 0.00 -0.66 -1.07 121.76 128.32 3igh s ALA 290 Ca 0.10 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 3igh s ALA 290 Cb 0.11 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3igh s ALA 290 CO 0.38 -0.54 0.65 -1.17 0.00 0.00 0.00 175.76 175.09 3igh s LEU 291 N -1.33 4.31 0.22 0.00 2.96 -1.26 -3.87 118.68 119.71 3igh s LEU 291 Ca 0.50 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 3igh s LEU 291 Cb -0.38 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 3igh s LEU 291 CO 0.47 -0.67 0.18 -0.76 -1.32 0.00 0.00 176.35 174.26 3igh s LEU 292 N 2.79 3.84 0.35 -0.68 1.43 0.19 -1.55 118.68 125.05 3igh s LEU 292 Ca 0.25 -0.18 0.25 0.00 -1.03 0.00 0.00 54.13 53.41 3igh s LEU 292 Cb -0.14 -2.41 0.59 0.00 0.03 0.00 0.00 46.19 44.27 3igh s LEU 292 CO 0.17 0.00 1.70 0.28 0.23 0.00 0.00 176.35 178.72 3igh h SER 293 N 1.83 0.00 -4.77 2.29 0.02 -1.91 -3.43 113.55 107.59 3igh h SER 293 Ca -0.48 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.23 3igh h SER 293 Cb 1.22 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.58 3igh h SER 293 CO 0.62 0.00 -0.71 -0.54 -1.14 0.00 0.00 176.83 175.06 3igh s LYS 294 N -3.19 0.63 0.92 3.45 1.02 -1.26 -5.08 119.74 116.23 3igh s LYS 294 Ca 0.08 -1.00 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 3igh s LYS 294 Cb 0.08 -0.18 0.09 0.00 -0.52 0.00 0.00 37.83 37.30 3igh s LYS 294 CO 0.63 0.00 0.83 -2.30 -0.92 0.00 0.00 175.35 173.58 3igh n PRO 295 N 0.79 -0.33 -1.78 -1.68 -0.02 -1.26 -4.83 135.00 125.88 3igh n PRO 295 Ca -0.18 -0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 60.86 3igh n PRO 295 Cb 0.58 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.92 3igh n PRO 295 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3igh s TYR 296 N -2.49 2.44 0.29 6.00 1.51 -0.55 -4.93 117.35 119.63 3igh s TYR 296 Ca 0.63 1.25 0.15 0.00 -1.01 0.00 0.00 57.07 58.08 3igh s TYR 296 Cb -0.23 -3.94 0.65 0.00 -0.11 0.00 0.00 41.96 38.33 3igh s TYR 296 CO 0.62 -3.00 1.76 0.77 -1.11 0.00 0.00 175.55 174.58 3igh h SER 297 N 2.34 0.00 -0.41 2.29 0.02 -1.07 -3.01 113.55 113.73 3igh h SER 297 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3igh h SER 297 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3igh h SER 297 CO 0.61 0.43 0.00 -0.90 -1.14 0.00 0.00 176.83 175.83 3igh n ASP 298 N -3.84 3.17 -3.20 3.07 5.75 -1.13 -4.68 116.55 115.69 3igh n ASP 298 Ca -0.01 -1.93 -0.09 0.00 -0.01 0.00 0.00 54.79 52.75 3igh n ASP 298 Cb 0.48 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.27 3igh n ASP 298 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3igh s ASP 299 N -1.11 -0.32 0.00 -1.12 -1.08 -1.14 -5.03 116.67 106.88 3igh s ASP 299 Ca 0.32 -1.43 0.14 0.00 -0.52 0.00 0.00 52.55 51.06 3igh s ASP 299 Cb 0.17 1.26 0.66 0.00 -1.46 0.00 0.00 42.92 43.56 3igh s ASP 299 CO 0.24 -0.18 1.40 -2.65 0.52 0.00 0.00 175.17 174.49 3igh n PRO 300 N 3.96 0.13 0.01 4.34 -0.02 -1.17 -2.64 135.00 139.61 3igh n PRO 300 Ca 0.14 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3igh n PRO 300 Cb 0.52 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.99 3igh n PRO 300 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3igh n SER 301 N -1.36 0.22 -4.06 2.55 3.41 -1.26 -4.80 113.62 108.31 3igh n SER 301 Ca 0.05 0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 3igh n SER 301 Cb 0.13 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 3igh n SER 301 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3igh s THR 302 N -3.01 0.49 0.00 6.66 -1.32 -1.08 -5.03 115.64 112.35 3igh s THR 302 Ca 0.13 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 3igh s THR 302 Cb 0.18 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 3igh s THR 302 CO 0.58 -0.42 0.86 -1.20 -2.21 0.00 0.00 174.62 172.24 3igh n SER 303 N 1.41 1.64 0.00 8.08 7.64 -1.26 -1.48 113.62 129.65 3igh n SER 303 Ca -0.22 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3igh n SER 303 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3igh n SER 303 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3igh n GLY 304 N -0.37 -1.63 2.99 0.23 0.00 -1.25 -0.64 105.19 104.52 3igh n GLY 304 Ca 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 3igh n GLY 304 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3igh s GLN 305 N 0.00 0.16 -0.07 1.61 0.74 -0.23 -4.89 119.66 116.98 3igh s GLN 305 Ca 0.00 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.82 3igh s GLN 305 Cb 0.00 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.94 3igh s GLN 305 CO 0.00 -0.33 1.19 -1.17 -0.55 0.00 0.00 175.29 174.43 3igh s LEU 306 N 2.42 4.27 -0.00 3.68 2.96 -1.26 -3.69 118.68 127.06 3igh s LEU 306 Ca 0.02 1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 55.60 3igh s LEU 306 Cb -0.12 -3.56 -0.32 0.00 0.50 0.00 0.00 46.19 42.69 3igh s LEU 306 CO -0.09 -0.59 0.85 0.58 -1.32 0.00 0.00 176.35 175.78 3igh h VAL 307 N 5.06 1.14 -3.43 1.68 2.07 -0.24 -3.47 116.25 119.06 3igh h VAL 307 Ca -0.33 -2.67 -0.19 0.00 0.82 0.00 0.00 66.70 64.33 3igh h VAL 307 Cb 1.15 2.88 -0.26 0.00 -1.52 0.00 0.00 31.29 33.54 3igh h VAL 307 CO 0.89 0.84 -0.56 -0.32 0.02 0.00 0.00 177.57 178.43 3igh s MET 308 N -2.60 0.17 0.64 1.57 -2.45 -1.25 -5.05 119.30 110.33 3igh s MET 308 Ca -0.11 0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.35 3igh s MET 308 Cb 0.05 0.08 -0.02 0.00 1.25 0.00 0.00 34.83 36.19 3igh s MET 308 CO 0.89 -0.02 1.05 -1.21 1.05 0.00 0.00 175.02 176.77 3igh s GLU 309 N -0.03 3.37 0.19 4.11 0.41 -1.26 -4.86 118.70 120.63 3igh s GLU 309 Ca -0.01 0.65 -0.12 0.00 -0.41 0.00 0.00 54.97 55.08 3igh s GLU 309 Cb -0.01 -2.07 0.21 0.00 -1.78 0.00 0.00 34.13 30.47 3igh s GLU 309 CO 0.00 -0.71 1.73 0.00 -0.49 0.00 0.00 175.26 175.80 3igh h ARG 310 N -0.41 0.30 -0.50 1.61 3.08 -1.99 -1.90 114.38 114.57 3igh h ARG 310 Ca -0.44 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.66 3igh h ARG 310 Cb 1.21 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 3igh h ARG 310 CO 0.63 0.20 0.17 1.49 -1.07 0.00 0.00 179.97 181.38 3igh h GLU 311 N 0.31 0.34 -0.40 0.04 4.81 -1.99 0.19 114.58 117.88 3igh h GLU 311 Ca 0.26 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 3igh h GLU 311 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3igh h GLU 311 CO -0.30 0.22 -0.32 1.49 -0.73 0.00 0.00 179.01 179.37 3igh h GLU 312 N 0.35 0.90 -0.82 1.92 4.81 -1.89 -1.16 114.58 118.69 3igh h GLU 312 Ca 0.24 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3igh h GLU 312 Cb 0.26 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3igh h GLU 312 CO -0.25 1.08 0.42 -0.07 -0.73 0.00 0.00 179.01 179.46 3igh h LEU 313 N 0.75 1.05 -0.45 1.64 3.38 -0.66 -1.86 115.31 119.16 3igh h LEU 313 Ca 0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3igh h LEU 313 Cb 0.89 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3igh h LEU 313 CO 0.08 0.86 0.03 0.40 0.09 0.00 0.00 178.44 179.91 3igh h ILE 314 N 1.15 1.26 -0.47 1.22 2.04 -0.51 -1.58 117.51 120.62 3igh h ILE 314 Ca 0.28 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3igh h ILE 314 Cb 0.07 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3igh h ILE 314 CO -0.04 0.34 0.29 -0.09 0.00 0.00 0.00 178.15 178.65 3igh h ARG 315 N 0.62 0.57 -0.38 2.37 2.43 -0.99 0.04 114.38 119.05 3igh h ARG 315 Ca 0.13 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3igh h ARG 315 Cb 0.45 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3igh h ARG 315 CO 0.02 0.38 -0.10 0.82 -1.51 0.00 0.00 179.97 179.58 3igh h ILE 316 N 0.59 1.28 -0.49 1.20 2.04 -1.28 -1.53 117.51 119.31 3igh h ILE 316 Ca 0.18 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.93 3igh h ILE 316 Cb -0.02 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3igh h ILE 316 CO -0.07 0.39 0.14 0.74 0.00 0.00 0.00 178.15 179.35 3igh h THR 317 N 0.54 0.78 -0.42 -0.27 2.02 -1.05 -0.56 112.91 113.96 3igh h THR 317 Ca 0.09 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 3igh h THR 317 Cb 0.62 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3igh h THR 317 CO 0.04 0.05 -0.17 -0.33 0.37 0.00 0.00 175.52 175.48 3igh h GLU 318 N 0.29 0.79 -0.30 6.66 4.39 -0.84 0.33 114.58 125.90 3igh h GLU 318 Ca 0.24 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3igh h GLU 318 Cb 0.29 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3igh h GLU 318 CO -0.28 0.91 0.20 -0.22 -1.16 0.00 0.00 179.01 178.46 3igh h LYS 319 N 0.70 0.40 -0.57 2.33 3.64 -0.92 -0.93 116.57 121.22 3igh h LYS 319 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3igh h LYS 319 Cb 0.68 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3igh h LYS 319 CO 0.05 0.27 0.37 0.00 -2.27 0.00 0.00 179.45 177.87 3igh h ALA 320 N 1.10 0.73 0.00 5.00 0.00 -0.82 -2.91 119.26 122.36 3igh h ALA 320 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3igh h ALA 320 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3igh h ALA 320 CO -0.02 0.18 -0.35 0.00 0.00 0.00 0.00 179.25 179.05 3igh h ARG 321 N 0.77 0.00 0.00 0.00 2.47 -0.71 -0.52 114.38 116.39 3igh h ARG 321 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 3igh h ARG 321 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3igh h ARG 321 CO -0.04 0.35 0.00 0.66 0.56 0.00 0.00 179.97 181.49 3igh h SER 322 N 0.00 0.00 -0.33 7.04 4.64 -0.97 -1.92 113.55 122.02 3igh h SER 322 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3igh h SER 322 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3igh h SER 322 CO 0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 3igh n LEU 323 N -2.36 2.87 -1.25 5.97 4.77 -0.32 -4.97 117.00 121.71 3igh n LEU 323 Ca 0.00 -1.99 -0.15 0.00 -0.03 0.00 0.00 56.01 53.84 3igh n LEU 323 Cb 0.16 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3igh n LEU 323 CO 0.17 0.72 -0.15 0.61 -1.33 0.00 0.00 177.39 177.40 3igh n GLY 324 N 0.47 1.36 3.85 -0.72 0.00 -0.72 -2.22 105.19 107.21 3igh n GLY 324 Ca 0.11 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3igh n GLY 324 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3igh s LEU 325 N -3.61 4.20 0.79 0.99 1.43 -0.50 -4.34 118.68 117.63 3igh s LEU 325 Ca 0.00 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 3igh s LEU 325 Cb 0.00 -3.72 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3igh s LEU 325 CO 0.00 -0.06 1.09 -0.62 0.23 0.00 0.00 176.35 176.98 3igh s ASP 326 N -2.06 4.46 -0.10 2.29 2.15 -0.14 -4.22 116.67 119.05 3igh s ASP 326 Ca 0.47 1.63 -0.01 0.00 0.43 0.00 0.00 52.55 55.07 3igh s ASP 326 Cb -0.13 -2.37 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 3igh s ASP 326 CO 0.19 -2.03 -0.04 -0.69 -0.17 0.00 0.00 175.17 172.43 3igh s VAL 327 N -2.98 0.74 -0.15 1.11 1.01 -1.26 -1.35 120.40 117.52 3igh s VAL 327 Ca 0.61 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 3igh s VAL 327 Cb -0.16 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3igh s VAL 327 CO 0.56 0.30 -0.08 0.00 0.00 0.00 0.00 175.10 175.88 3igh s ALA 328 N 1.82 2.79 -0.18 5.51 0.00 -0.50 -1.88 121.76 129.33 3igh s ALA 328 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3igh s ALA 328 Cb -0.13 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3igh s ALA 328 CO -0.07 0.16 -0.19 0.42 0.00 0.00 0.00 175.76 176.08 3igh s ILE 329 N 0.48 2.11 0.03 0.00 1.01 -0.48 -0.11 121.20 124.23 3igh s ILE 329 Ca -0.06 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 3igh s ILE 329 Cb -0.15 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 3igh s ILE 329 CO 0.04 0.54 1.66 -2.28 0.00 0.00 0.00 174.94 174.89 3igh s HIS 330 N 1.29 2.24 -0.20 3.97 5.65 0.33 -0.91 115.29 127.67 3igh s HIS 330 Ca 0.05 0.26 -0.04 0.00 0.25 0.00 0.00 55.06 55.57 3igh s HIS 330 Cb -0.13 -3.95 0.09 0.00 -1.18 0.00 0.00 32.58 27.40 3igh s HIS 330 CO -0.13 -3.91 0.21 0.00 -0.65 0.00 0.00 174.74 170.26 3igh s ALA 331 N 3.14 -0.20 -0.22 1.58 0.00 -0.75 -1.58 121.76 123.73 3igh s ALA 331 Ca 0.74 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 3igh s ALA 331 Cb -0.38 -1.29 -0.10 0.00 0.00 0.00 0.00 23.12 21.35 3igh s ALA 331 CO 0.32 -1.20 -0.22 -0.89 0.00 0.00 0.00 175.76 173.77 3igh n ILE 332 N 5.31 1.51 -1.34 0.00 5.41 -1.26 -2.03 119.36 126.96 3igh n ILE 332 Ca -0.06 -0.08 -0.31 0.00 1.00 0.00 0.00 62.75 63.31 3igh n ILE 332 Cb 0.49 -2.12 0.08 0.00 -0.71 0.00 0.00 39.64 37.38 3igh n ILE 332 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3igh s GLY 333 N -5.03 1.67 0.26 7.39 0.00 -1.26 -2.10 107.32 108.26 3igh s GLY 333 Ca -0.31 0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.69 3igh s GLY 333 CO 0.45 0.55 1.59 1.29 0.00 0.00 0.00 173.10 176.98 3igh h ASP 334 N -1.03 0.17 0.14 1.64 2.03 -1.59 -2.00 116.42 115.79 3igh h ASP 334 Ca -0.44 -0.10 -0.18 0.00 -0.73 0.00 0.00 57.03 55.58 3igh h ASP 334 Cb 1.23 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3igh h ASP 334 CO 0.53 0.72 -0.69 0.50 -1.03 0.00 0.00 179.24 179.27 3igh h LYS 335 N 0.11 0.49 -0.82 4.15 3.64 -1.55 -2.72 116.57 119.89 3igh h LYS 335 Ca -0.00 -0.38 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 3igh h LYS 335 Cb 1.07 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 3igh h LYS 335 CO 0.09 1.00 0.54 0.00 -2.27 0.00 0.00 179.45 178.81 3igh h ALA 336 N 0.90 1.46 -0.76 5.00 0.00 -1.26 -1.77 119.26 122.82 3igh h ALA 336 Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3igh h ALA 336 Cb 1.26 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3igh h ALA 336 CO 0.12 0.48 0.35 1.25 0.00 0.00 0.00 179.25 181.45 3igh h LEU 337 N 1.06 1.02 -0.47 0.00 5.85 -1.24 0.02 115.31 121.55 3igh h LEU 337 Ca 0.31 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3igh h LEU 337 Cb -0.05 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 3igh h LEU 337 CO -0.08 0.88 0.16 0.44 -0.34 0.00 0.00 178.44 179.50 3igh h ASP 338 N 1.08 0.16 -0.19 1.25 3.32 -1.03 0.15 116.42 121.16 3igh h ASP 338 Ca 0.26 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3igh h ASP 338 Cb 0.14 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3igh h ASP 338 CO -0.03 0.12 0.12 0.58 -1.72 0.00 0.00 179.24 178.30 3igh h VAL 339 N 0.33 1.08 -0.60 -1.35 2.07 -0.97 0.63 116.25 117.43 3igh h VAL 339 Ca 0.22 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3igh h VAL 339 Cb 0.23 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3igh h VAL 339 CO -0.23 0.08 0.37 0.00 0.02 0.00 0.00 177.57 177.80 3igh h ALA 340 N 1.03 0.77 -0.21 1.67 0.00 -0.68 -1.92 119.26 119.91 3igh h ALA 340 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3igh h ALA 340 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3igh h ALA 340 CO -0.01 0.24 -0.26 -0.07 0.00 0.00 0.00 179.25 179.15 3igh h LEU 341 N 0.82 0.40 -0.74 0.00 3.38 -0.47 -2.26 115.31 116.44 3igh h LEU 341 Ca 0.22 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3igh h LEU 341 Cb -0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3igh h LEU 341 CO -0.04 0.66 0.48 0.44 0.09 0.00 0.00 178.44 180.07 3igh h ASP 342 N 0.35 0.86 -0.12 -0.43 3.32 -0.42 0.06 116.42 120.04 3igh h ASP 342 Ca 0.05 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3igh h ASP 342 Cb 0.65 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3igh h ASP 342 CO 0.05 0.63 0.06 0.58 -1.72 0.00 0.00 179.24 178.84 3igh h VAL 343 N 1.01 1.10 -0.17 -1.35 2.07 -0.97 -1.61 116.25 116.32 3igh h VAL 343 Ca 0.27 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3igh h VAL 343 Cb -0.10 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3igh h VAL 343 CO -0.06 0.09 -0.29 -0.26 0.02 0.00 0.00 177.57 177.07 3igh h PHE 344 N 0.08 0.37 -0.10 1.57 0.04 -1.23 -2.18 116.94 115.48 3igh h PHE 344 Ca 0.04 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3igh h PHE 344 Cb 0.09 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3igh h PHE 344 CO -0.04 0.59 -0.02 1.49 -0.60 0.00 0.00 178.31 179.74 3igh h GLU 345 N 0.29 0.19 0.00 1.51 4.81 -0.82 -1.93 114.58 118.63 3igh h GLU 345 Ca 0.04 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 3igh h GLU 345 Cb 0.67 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3igh h GLU 345 CO 0.05 0.48 -0.57 0.00 -0.73 0.00 0.00 179.01 178.25 3igh h THR 346 N -0.11 1.35 0.00 0.32 1.03 -1.20 -2.47 112.91 111.83 3igh h THR 346 Ca 0.03 -1.98 0.00 0.00 -0.01 0.00 0.00 66.41 64.45 3igh h THR 346 Cb 0.40 2.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 3igh h THR 346 CO 0.01 0.56 -0.30 0.35 -0.01 0.00 0.00 175.52 176.12 3igh n THR 347 N -3.78 0.20 -2.02 0.00 -2.24 -0.83 -4.93 114.28 100.67 3igh n THR 347 Ca -0.01 -0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 3igh n THR 347 Cb 0.59 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3igh n THR 347 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3igh n GLY 348 N 1.42 0.44 3.34 3.38 0.00 -0.77 -5.01 105.19 107.99 3igh n GLY 348 Ca 0.05 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3igh n GLY 348 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3igh s PHE 349 N -2.80 2.96 -1.11 1.61 5.36 -0.92 -5.03 117.98 118.05 3igh s PHE 349 Ca 0.00 -0.83 -0.22 0.00 -0.96 0.00 0.00 56.93 54.92 3igh s PHE 349 Cb 0.00 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 3igh s PHE 349 CO 0.00 -0.47 1.75 -1.25 -1.46 0.00 0.00 175.22 173.80 3igh s PRO 350 N 1.30 3.21 0.00 10.12 0.04 -1.26 -4.66 135.00 143.75 3igh s PRO 350 Ca 0.04 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 59.89 3igh s PRO 350 Cb -0.14 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.08 3igh s PRO 350 CO -0.02 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.53 3igh n GLY 351 N 6.22 -0.55 3.45 0.56 0.00 -1.26 -4.65 105.19 108.96 3igh n GLY 351 Ca 0.42 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 3igh n GLY 351 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3igh s ARG 352 N -1.34 1.99 -0.13 1.61 1.70 -0.79 -0.93 118.95 121.06 3igh s ARG 352 Ca 0.00 -1.03 -0.01 0.00 -0.47 0.00 0.00 55.73 54.22 3igh s ARG 352 Cb 0.00 -2.15 -0.02 0.00 -0.57 0.00 0.00 34.95 32.21 3igh s ARG 352 CO 0.00 0.53 -0.09 0.42 -1.08 0.00 0.00 175.30 175.08 3igh s ILE 353 N -0.94 3.43 -0.13 4.99 -1.09 0.29 -1.39 121.20 126.36 3igh s ILE 353 Ca 0.15 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 3igh s ILE 353 Cb -0.10 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.27 3igh s ILE 353 CO 0.06 0.53 0.21 -1.61 -1.23 0.00 0.00 174.94 172.89 3igh s GLU 354 N 0.15 3.86 0.00 2.79 0.41 -0.08 -1.47 118.70 124.36 3igh s GLU 354 Ca -0.04 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 3igh s GLU 354 Cb -0.14 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 3igh s GLU 354 CO 0.04 0.54 0.00 0.72 -0.49 0.00 0.00 175.26 176.07 3igh n HIS 355 N 2.67 0.00 -3.96 1.61 8.25 -0.14 -1.81 115.22 121.85 3igh n HIS 355 Ca -0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 3igh n HIS 355 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3igh n HIS 355 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3igh n ALA 356 N 0.00 -1.92 0.09 -1.41 0.00 -0.86 -4.62 120.51 111.79 3igh n ALA 356 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 3igh n ALA 356 Cb 0.00 -1.79 0.18 0.00 0.00 0.00 0.00 19.45 17.84 3igh n ALA 356 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3igh h SER 357 N -1.82 0.26 -3.51 0.00 0.02 -1.66 -3.40 113.55 103.45 3igh h SER 357 Ca -0.62 -0.13 -0.58 0.00 -0.84 0.00 0.00 61.79 59.62 3igh h SER 357 Cb 1.37 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.45 3igh h SER 357 CO 0.64 0.72 -0.78 -0.76 -1.14 0.00 0.00 176.83 175.51 3igh s LEU 358 N -8.09 2.16 -0.14 5.07 1.43 -0.89 -1.13 118.68 117.09 3igh s LEU 358 Ca -0.04 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3igh s LEU 358 Cb 0.13 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.38 3igh s LEU 358 CO 0.78 -0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 176.27 3igh s VAL 359 N 1.54 1.50 0.67 -1.59 1.01 -0.66 -3.67 120.40 119.20 3igh s VAL 359 Ca -0.04 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3igh s VAL 359 Cb -0.18 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3igh s VAL 359 CO -0.07 0.45 1.05 -0.13 0.00 0.00 0.00 175.10 176.40 3igh s ARG 360 N 1.41 3.08 0.33 2.72 0.52 -1.26 -4.42 118.95 121.33 3igh s ARG 360 Ca 0.03 0.95 0.05 0.00 -0.52 0.00 0.00 55.73 56.24 3igh s ARG 360 Cb -0.13 -2.01 0.70 0.00 0.52 0.00 0.00 34.95 34.03 3igh s ARG 360 CO -0.09 -0.99 1.89 -0.44 0.02 0.00 0.00 175.30 175.70 3igh h ASP 361 N -0.54 0.76 0.65 0.23 3.45 -1.99 -1.54 116.42 117.44 3igh h ASP 361 Ca -0.44 0.03 -0.07 0.00 0.43 0.00 0.00 57.03 56.98 3igh h ASP 361 Cb 1.21 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 3igh h ASP 361 CO 0.58 0.43 -0.33 -2.24 -1.57 0.00 0.00 179.24 176.11 3igh h ASP 362 N 0.83 0.00 1.76 6.45 3.04 -2.04 -3.04 116.42 123.42 3igh h ASP 362 Ca 0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.21 3igh h ASP 362 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 3igh h ASP 362 CO -0.18 0.33 0.00 1.56 -2.04 0.00 0.00 179.24 178.90 3igh h GLN 363 N 0.00 0.00 -0.58 4.15 4.20 -1.65 -3.29 115.11 117.94 3igh h GLN 363 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3igh h GLN 363 Cb 0.74 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 3igh h GLN 363 CO 0.04 0.00 0.34 -0.07 -0.67 0.00 0.00 178.83 178.48 3igh h LEU 364 N 0.00 0.70 -0.69 1.46 3.38 -1.42 -0.17 115.31 118.57 3igh h LEU 364 Ca 0.00 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3igh h LEU 364 Cb 0.88 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3igh h LEU 364 CO 0.00 0.56 -0.54 -0.08 0.09 0.00 0.00 178.44 178.47 3igh h GLU 365 N 0.78 0.31 -0.34 1.13 4.57 -1.73 -1.97 114.58 117.32 3igh h GLU 365 Ca 0.21 -0.19 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 3igh h GLU 365 Cb -0.01 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3igh h GLU 365 CO -0.04 0.78 -0.17 -0.09 -1.18 0.00 0.00 179.01 178.31 3igh h ARG 366 N 0.24 0.72 -0.46 1.92 2.43 -1.58 0.16 114.38 117.81 3igh h ARG 366 Ca 0.00 -0.32 0.07 0.00 -0.81 0.00 0.00 59.98 58.93 3igh h ARG 366 Cb 1.03 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 3igh h ARG 366 CO 0.09 0.92 0.10 0.28 -1.51 0.00 0.00 179.97 179.86 3igh h VAL 367 N 0.50 0.76 -0.10 0.20 2.07 -0.97 -1.13 116.25 117.59 3igh h VAL 367 Ca 0.08 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3igh h VAL 367 Cb 0.71 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3igh h VAL 367 CO 0.05 0.04 0.03 0.50 0.02 0.00 0.00 177.57 178.22 3igh h LYS 368 N 0.24 0.08 -0.38 1.57 3.64 -1.14 -2.39 116.57 118.19 3igh h LYS 368 Ca 0.23 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3igh h LYS 368 Cb 0.28 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3igh h LYS 368 CO -0.29 0.05 -0.07 -0.91 -2.27 0.00 0.00 179.45 175.97 3igh h ASN 369 N 0.08 0.61 0.64 4.20 2.35 -0.64 -2.66 115.58 120.17 3igh h ASN 369 Ca 0.04 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3igh h ASN 369 Cb 0.02 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3igh h ASN 369 CO -0.05 0.73 -0.18 0.18 -1.65 0.00 0.00 177.43 176.47 3igh n LEU 370 N -4.21 0.30 -2.58 1.61 4.77 -0.46 -4.94 117.00 111.49 3igh n LEU 370 Ca 0.01 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 55.98 3igh n LEU 370 Cb 0.31 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3igh n LEU 370 CO 0.41 0.06 -0.10 0.29 -1.33 0.00 0.00 177.39 176.72 3igh n LYS 371 N -1.32 -3.35 -1.97 3.23 5.02 -0.91 -4.41 118.16 114.45 3igh n LYS 371 Ca 0.09 0.89 -0.33 0.00 -2.02 0.00 0.00 58.31 56.95 3igh n LYS 371 Cb 0.32 -5.57 0.02 0.00 -0.02 0.00 0.00 35.03 29.78 3igh n LYS 371 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3igh s VAL 372 N -3.07 3.68 0.06 -0.18 -7.23 -1.20 -4.77 120.40 107.69 3igh s VAL 372 Ca 0.17 0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 61.06 3igh s VAL 372 Cb -0.07 -3.32 -0.05 0.00 0.56 0.00 0.00 36.38 33.50 3igh s VAL 372 CO 0.21 -0.47 0.33 -0.13 -0.31 0.00 0.00 175.10 174.72 3igh s ARG 373 N -4.09 3.64 -0.09 4.82 0.52 -0.11 -4.31 118.95 119.33 3igh s ARG 373 Ca 0.64 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.87 3igh s ARG 373 Cb -0.17 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.31 3igh s ARG 373 CO 0.38 0.58 -0.17 -0.51 0.02 0.00 0.00 175.30 175.60 3igh s LEU 374 N -2.03 1.83 -0.26 2.53 1.43 -0.55 -0.54 118.68 121.08 3igh s LEU 374 Ca 0.32 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3igh s LEU 374 Cb -0.13 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.00 3igh s LEU 374 CO 0.19 0.08 0.01 -0.55 0.23 0.00 0.00 176.35 176.31 3igh s SER 375 N 0.59 4.72 0.30 2.29 0.15 -0.54 -0.46 113.70 120.74 3igh s SER 375 Ca -0.15 -0.62 0.11 0.00 0.70 0.00 0.00 55.95 55.99 3igh s SER 375 Cb -0.17 -1.80 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3igh s SER 375 CO 0.05 -0.12 -0.10 0.68 1.20 0.00 0.00 173.24 174.95 3igh s VAL 376 N 1.46 2.66 -0.55 4.45 -7.23 -0.33 -0.96 120.40 119.90 3igh s VAL 376 Ca 0.03 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.05 3igh s VAL 376 Cb -0.16 -2.56 0.16 0.00 0.56 0.00 0.00 36.38 34.37 3igh s VAL 376 CO -0.01 -0.32 0.37 -1.10 -0.31 0.00 0.00 175.10 173.73 3igh s GLN 377 N -3.60 1.76 0.52 4.82 1.11 -1.26 -1.23 119.66 121.77 3igh s GLN 377 Ca 0.32 -2.65 0.25 0.00 0.01 0.00 0.00 55.36 53.29 3igh s GLN 377 Cb -0.03 -2.68 1.37 0.00 -1.01 0.00 0.00 33.01 30.65 3igh s GLN 377 CO 0.17 -1.26 1.96 -1.35 0.01 0.00 0.00 175.29 174.82 3igh h PRO 378 N 5.90 0.06 0.00 2.91 0.11 -1.87 -1.79 132.00 137.33 3igh h PRO 378 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3igh h PRO 378 Cb 0.85 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3igh h PRO 378 CO 0.58 0.04 0.00 1.25 -0.21 0.00 0.00 178.00 179.66 3igh h HIS 379 N 0.06 0.00 -0.18 0.65 2.76 -1.85 -2.09 115.15 114.50 3igh h HIS 379 Ca 0.31 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.52 3igh h HIS 379 Cb 1.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 3igh h HIS 379 CO -0.00 0.00 0.13 0.74 -1.30 0.00 0.00 177.93 177.50 3igh h PHE 380 N 0.00 0.06 -0.85 5.26 -1.00 -1.70 -1.35 116.94 117.36 3igh h PHE 380 Ca 0.00 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.94 3igh h PHE 380 Cb 0.23 -0.02 -0.10 0.00 3.61 0.00 0.00 35.95 39.67 3igh h PHE 380 CO 0.00 0.04 0.42 0.82 -1.61 0.00 0.00 178.31 177.98 3igh h ILE 381 N 0.07 0.69 -0.03 -0.55 2.04 -1.59 0.17 117.51 118.31 3igh h ILE 381 Ca 0.08 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3igh h ILE 381 Cb 0.25 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3igh h ILE 381 CO -0.01 0.11 -0.19 0.40 0.00 0.00 0.00 178.15 178.46 3igh h ILE 382 N 0.58 1.49 -0.05 -0.67 1.08 -1.45 -3.36 117.51 115.14 3igh h ILE 382 Ca 0.47 -1.71 -0.24 0.00 -0.39 0.00 0.00 64.86 63.00 3igh h ILE 382 Cb 0.70 2.51 0.01 0.00 -3.07 0.00 0.00 36.82 36.97 3igh h ILE 382 CO -0.38 0.47 -0.92 0.77 -0.69 0.00 0.00 178.15 177.39 3igh h SER 383 N -0.41 0.78 -1.04 1.72 4.64 -1.30 -3.38 113.55 114.57 3igh h SER 383 Ca -0.01 -0.59 -0.74 0.00 -0.47 0.00 0.00 61.79 59.97 3igh h SER 383 Cb 0.87 -0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 62.60 3igh h SER 383 CO 0.04 1.38 2.34 0.47 -0.87 0.00 0.00 176.83 180.19 3igh n ASP 384 N -3.85 5.21 0.27 4.97 9.92 0.03 -4.75 116.55 128.36 3igh n ASP 384 Ca -0.08 -3.04 0.13 0.00 -0.53 0.00 0.00 54.79 51.27 3igh n ASP 384 Cb 0.82 -1.51 0.78 0.00 -0.64 0.00 0.00 41.12 40.57 3igh n ASP 384 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 3igh h TRP 385 N 5.66 0.00 -0.16 1.24 5.08 -1.81 -2.90 115.95 123.06 3igh h TRP 385 Ca 0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.44 3igh h TRP 385 Cb 0.59 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.75 3igh h TRP 385 CO 1.34 0.09 0.00 -2.67 -1.28 0.00 0.00 178.44 175.92 3igh n TRP 386 N -3.67 0.21 -0.31 0.12 4.27 -1.26 -4.51 117.44 112.28 3igh n TRP 386 Ca -0.02 -0.10 -0.05 0.00 -3.89 0.00 0.00 57.50 53.44 3igh n TRP 386 Cb 0.20 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.23 3igh n TRP 386 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 3igh h ILE 387 N 1.69 1.26 0.00 -1.67 2.10 -1.93 -2.06 117.51 116.90 3igh h ILE 387 Ca 0.00 -0.70 -0.09 0.00 1.08 0.00 0.00 64.86 65.15 3igh h ILE 387 Cb 0.37 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.25 3igh h ILE 387 CO 0.00 0.31 -0.42 0.58 -1.08 0.00 0.00 178.15 177.54 3igh h VAL 388 N 1.21 1.18 -0.53 2.19 2.07 -1.87 -2.06 116.25 118.43 3igh h VAL 388 Ca 0.29 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 3igh h VAL 388 Cb 0.10 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3igh h VAL 388 CO -0.04 0.41 -0.09 -0.33 0.02 0.00 0.00 177.57 177.55 3igh h GLU 389 N 0.00 1.00 -0.29 1.57 3.07 -1.71 0.14 114.58 118.36 3igh h GLU 389 Ca -0.00 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 3igh h GLU 389 Cb 0.80 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3igh h GLU 389 CO 0.05 1.05 0.15 0.00 -1.40 0.00 0.00 179.01 178.86 3igh h ARG 390 N 0.88 0.41 0.00 2.33 2.47 -0.93 -3.00 114.38 116.54 3igh h ARG 390 Ca 0.14 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3igh h ARG 390 Cb 0.65 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 3igh h ARG 390 CO 0.04 0.37 -1.05 1.33 0.56 0.00 0.00 179.97 181.22 3igh n VAL 391 N -4.81 0.00 -0.35 2.04 0.24 -0.83 -0.65 118.33 113.97 3igh n VAL 391 Ca -0.02 -0.23 0.04 0.00 -2.04 0.00 0.00 64.34 62.10 3igh n VAL 391 Cb 0.09 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 3igh n VAL 391 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3igh n GLY 392 N 1.46 -2.32 0.28 7.63 0.00 0.50 -3.93 105.19 108.82 3igh n GLY 392 Ca 0.01 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 3igh n GLY 392 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3igh h GLU 393 N -0.34 0.66 0.00 1.61 4.57 -1.97 -2.71 114.58 116.39 3igh h GLU 393 Ca -0.03 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3igh h GLU 393 Cb 0.33 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3igh h GLU 393 CO 0.01 0.67 0.00 0.93 -1.18 0.00 0.00 179.01 179.45 3igh h GLU 394 N 0.62 0.00 -0.03 1.92 4.39 -1.97 -2.96 114.58 116.55 3igh h GLU 394 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3igh h GLU 394 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3igh h GLU 394 CO 0.01 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.40 3igh n ARG 395 N -2.71 0.43 -0.33 2.33 1.74 -1.05 -4.69 116.66 112.38 3igh n ARG 395 Ca 0.00 -1.09 0.13 0.00 -0.77 0.00 0.00 57.85 56.12 3igh n ARG 395 Cb 0.22 -1.17 0.34 0.00 -1.02 0.00 0.00 32.46 30.84 3igh n ARG 395 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3igh h VAL 396 N 1.64 0.75 0.00 1.55 2.07 -1.32 -1.56 116.25 119.39 3igh h VAL 396 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3igh h VAL 396 Cb 0.38 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3igh h VAL 396 CO 0.00 0.14 0.00 0.07 0.02 0.00 0.00 177.57 177.80 3igh h LYS 397 N 0.75 0.00 0.00 1.57 2.10 -1.84 -1.92 116.57 117.23 3igh h LYS 397 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 3igh h LYS 397 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3igh h LYS 397 CO -0.32 0.00 -0.30 0.91 -2.00 0.00 0.00 179.45 177.74 3igh n TRP 398 N -2.62 0.21 -2.85 0.07 8.01 -0.59 -4.80 117.44 114.88 3igh n TRP 398 Ca -0.00 0.06 -0.42 0.00 -1.31 0.00 0.00 57.50 55.83 3igh n TRP 398 Cb 0.17 -0.49 -0.04 0.00 -2.01 0.00 0.00 31.31 28.95 3igh n TRP 398 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3igh s VAL 399 N -3.04 4.84 -1.44 -0.99 1.01 -0.72 -1.66 120.40 118.40 3igh s VAL 399 Ca 0.11 1.69 -0.09 0.00 0.00 0.00 0.00 61.98 63.70 3igh s VAL 399 Cb 0.17 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3igh s VAL 399 CO 0.64 -0.03 0.24 -1.22 0.00 0.00 0.00 175.10 174.73 3igh n TYR 400 N 5.55 -1.37 -2.01 5.22 4.01 -0.28 -4.78 117.16 123.50 3igh n TYR 400 Ca 0.06 0.50 -0.41 0.00 -0.16 0.00 0.00 57.90 57.89 3igh n TYR 400 Cb 0.48 -2.96 -0.00 0.00 -0.31 0.00 0.00 39.34 36.55 3igh n TYR 400 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3igh n ARG 401 N -4.66 3.74 -0.12 -0.72 1.85 -1.26 -4.78 116.66 110.71 3igh n ARG 401 Ca -0.27 -3.17 -0.04 0.00 -1.00 0.00 0.00 57.85 53.37 3igh n ARG 401 Cb 0.66 -2.90 0.16 0.00 -1.05 0.00 0.00 32.46 29.33 3igh n ARG 401 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3igh h PHE 402 N 5.40 0.87 -0.24 2.89 0.05 -1.86 -0.95 116.94 123.10 3igh h PHE 402 Ca 0.57 -0.11 -0.02 0.00 3.82 0.00 0.00 57.97 62.23 3igh h PHE 402 Cb 0.50 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 3igh h PHE 402 CO 1.46 0.77 0.08 -0.22 -0.18 0.00 0.00 178.31 180.22 3igh h LYS 403 N 0.78 0.36 -0.67 1.51 3.64 -1.86 -1.07 116.57 119.26 3igh h LYS 403 Ca 0.16 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3igh h LYS 403 Cb 0.40 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3igh h LYS 403 CO 0.01 0.43 0.42 -0.44 -2.27 0.00 0.00 179.45 177.61 3igh h ASP 404 N 0.22 0.70 -0.16 4.20 3.32 -1.78 -3.12 116.42 119.81 3igh h ASP 404 Ca 0.08 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3igh h ASP 404 Cb 0.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3igh h ASP 404 CO -0.00 0.49 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.62 3igh h LEU 405 N 0.83 0.68 -1.99 1.55 3.38 -1.04 -2.90 115.31 115.83 3igh h LEU 405 Ca 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3igh h LEU 405 Cb -0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3igh h LEU 405 CO -0.09 0.95 -0.10 -0.03 0.09 0.00 0.00 178.44 179.26 3igh h MET 406 N 0.56 0.00 0.00 1.13 4.05 -1.13 0.06 114.93 119.59 3igh h MET 406 Ca 0.06 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.37 3igh h MET 406 Cb 0.82 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 3igh h MET 406 CO 0.07 0.10 -0.56 -0.22 0.23 0.00 0.00 176.91 176.52 3igh h LYS 407 N 0.00 0.00 0.00 0.39 3.64 -1.47 -3.34 116.57 115.78 3igh h LYS 407 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3igh h LYS 407 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3igh h LYS 407 CO 0.01 0.56 -0.82 1.33 -2.27 0.00 0.00 179.45 178.26 3igh n VAL 408 N -3.75 0.00 -3.76 2.00 0.24 -0.56 -5.04 118.33 107.45 3igh n VAL 408 Ca -0.01 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 3igh n VAL 408 Cb 0.59 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.67 3igh n VAL 408 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3igh s ALA 409 N -2.29 -0.61 0.17 2.33 0.00 -0.10 -4.05 121.76 117.21 3igh s ALA 409 Ca 0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 51.96 51.53 3igh s ALA 409 Cb 0.08 0.39 -0.11 0.00 0.00 0.00 0.00 23.12 23.49 3igh s ALA 409 CO 0.48 -0.45 1.68 -2.00 0.00 0.00 0.00 175.76 175.46 3igh s GLU 410 N -2.93 4.17 -0.09 0.00 2.56 -1.26 -4.41 118.70 116.73 3igh s GLU 410 Ca -0.02 2.49 0.03 0.00 0.00 0.00 0.00 54.97 57.47 3igh s GLU 410 Cb 0.00 -3.23 0.01 0.00 2.00 0.00 0.00 34.13 32.92 3igh s GLU 410 CO -0.06 -0.71 -0.19 -1.17 -0.56 0.00 0.00 175.26 172.58 3igh s LEU 411 N 1.53 1.89 0.12 2.70 2.96 -1.26 -1.48 118.68 125.13 3igh s LEU 411 Ca 0.74 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.28 3igh s LEU 411 Cb -0.46 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3igh s LEU 411 CO 0.32 0.09 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.44 3igh s GLY 412 N 0.60 1.71 0.06 7.98 0.00 0.39 -4.10 107.32 113.96 3igh s GLY 412 Ca -0.14 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.24 3igh s GLY 412 CO 0.04 -1.33 0.18 -1.36 0.00 0.00 0.00 173.10 170.63 3igh s PHE 413 N -1.17 3.44 0.29 1.90 0.40 -0.96 -1.19 117.98 120.69 3igh s PHE 413 Ca 0.19 0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 56.57 3igh s PHE 413 Cb -0.11 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.71 3igh s PHE 413 CO 0.11 0.58 0.63 -1.54 0.70 0.00 0.00 175.22 175.70 3igh s SER 414 N -2.43 -0.08 -0.01 1.36 1.04 -0.37 -2.12 113.70 111.10 3igh s SER 414 Ca 0.33 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 55.96 3igh s SER 414 Cb -0.13 0.70 -0.09 0.00 0.10 0.00 0.00 66.02 66.60 3igh s SER 414 CO 0.26 -1.33 0.15 0.35 0.98 0.00 0.00 173.24 173.65 3igh n THR 415 N -0.45 0.00 -2.78 2.02 -2.24 -1.24 -4.18 114.28 105.40 3igh n THR 415 Ca -0.04 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 3igh n THR 415 Cb 0.60 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3igh n THR 415 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3igh n ASP 416 N -1.62 -4.74 -4.66 3.42 2.03 0.00 -3.41 116.55 107.58 3igh n ASP 416 Ca -0.01 -0.09 -0.44 0.00 0.52 0.00 0.00 54.79 54.77 3igh n ASP 416 Cb 0.15 -3.93 -0.02 0.00 -0.72 0.00 0.00 41.12 36.59 3igh n ASP 416 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3igh n SER 417 N -2.12 2.38 -1.12 1.67 2.88 -1.26 -1.23 113.62 114.81 3igh n SER 417 Ca -0.13 1.17 0.05 0.00 -1.33 0.00 0.00 58.87 58.63 3igh n SER 417 Cb 0.61 -1.40 0.22 0.00 -0.75 0.00 0.00 64.21 62.89 3igh n SER 417 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3igh n PRO 418 N 1.38 2.81 -0.20 -1.46 -0.04 -1.26 -0.50 135.00 135.73 3igh n PRO 418 Ca 0.10 -1.74 -0.10 0.00 -0.04 0.00 0.00 63.50 61.72 3igh n PRO 418 Cb 0.32 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.08 3igh n PRO 418 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3igh h ILE 419 N 2.41 1.27 -2.14 0.52 5.03 -1.43 -3.43 117.51 119.74 3igh h ILE 419 Ca 0.00 -1.17 -0.57 0.00 -0.12 0.00 0.00 64.86 63.00 3igh h ILE 419 Cb 1.07 0.88 -0.10 0.00 -3.03 0.00 0.00 36.82 35.64 3igh h ILE 419 CO 0.18 0.42 -0.65 -1.61 -0.68 0.00 0.00 178.15 175.82 3igh s GLU 420 N -4.98 2.20 0.48 2.37 0.41 -1.22 -5.10 118.70 112.87 3igh s GLU 420 Ca -0.12 -1.51 -0.23 0.00 -0.41 0.00 0.00 54.97 52.69 3igh s GLU 420 Cb 0.13 -2.08 -0.08 0.00 -1.78 0.00 0.00 34.13 30.32 3igh s GLU 420 CO 0.85 0.31 1.21 -0.35 -0.49 0.00 0.00 175.26 176.79 3igh n PRO 421 N -0.89 1.64 0.18 0.39 -0.04 -1.26 -4.26 135.00 130.76 3igh n PRO 421 Ca -0.06 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3igh n PRO 421 Cb 0.60 -2.36 0.28 0.00 -0.04 0.00 0.00 33.50 31.98 3igh n PRO 421 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3igh h ALA 422 N 1.61 1.00 -1.85 0.55 0.00 -1.95 -3.46 119.26 115.15 3igh h ALA 422 Ca -0.48 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 3igh h ALA 422 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3igh h ALA 422 CO 0.57 0.00 1.37 -3.47 0.00 0.00 0.00 179.25 177.73 3igh n ASP 423 N -2.81 3.19 0.23 0.00 4.64 -1.26 -4.85 116.55 115.69 3igh n ASP 423 Ca 0.04 0.48 0.07 0.00 -1.38 0.00 0.00 54.79 54.01 3igh n ASP 423 Cb 0.48 -1.46 0.55 0.00 -1.04 0.00 0.00 41.12 39.65 3igh n ASP 423 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3igh h PRO 424 N 12.83 0.00 -0.08 -0.67 0.13 -1.89 -2.53 132.00 139.79 3igh h PRO 424 Ca -0.41 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 3igh h PRO 424 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3igh h PRO 424 CO 0.97 0.19 -0.35 -1.49 -0.23 0.00 0.00 178.00 177.09 3igh h TRP 425 N 0.00 0.18 -0.23 1.56 4.06 -1.88 0.24 115.95 119.87 3igh h TRP 425 Ca -0.00 -0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 3igh h TRP 425 Cb 0.37 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 3igh h TRP 425 CO 0.00 0.49 -0.12 -0.07 -3.56 0.00 0.00 178.44 175.18 3igh h LEU 426 N 0.14 0.37 0.12 -4.49 3.38 -1.75 -0.89 115.31 112.18 3igh h LEU 426 Ca 0.02 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 3igh h LEU 426 Cb 0.69 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3igh h LEU 426 CO 0.05 0.53 -1.27 0.74 0.09 0.00 0.00 178.44 178.58 3igh h THR 427 N 0.36 1.42 -0.34 0.22 2.02 -1.35 -2.48 112.91 112.76 3igh h THR 427 Ca 0.07 -2.86 0.02 0.00 0.77 0.00 0.00 66.41 64.41 3igh h THR 427 Cb 0.44 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.71 3igh h THR 427 CO 0.03 0.85 0.17 0.58 0.37 0.00 0.00 175.52 177.51 3igh h VAL 428 N 0.12 0.98 -0.92 3.16 2.07 -0.88 -2.06 116.25 118.73 3igh h VAL 428 Ca -0.16 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3igh h VAL 428 Cb 1.97 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 3igh h VAL 428 CO 0.22 0.06 0.60 -0.78 0.02 0.00 0.00 177.57 177.70 3igh h ASP 429 N 0.35 1.03 -0.73 0.57 3.58 -1.16 -1.22 116.42 118.84 3igh h ASP 429 Ca 0.14 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3igh h ASP 429 Cb 0.06 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 3igh h ASP 429 CO -0.10 0.73 0.43 0.00 -2.88 0.00 0.00 179.24 177.42 3igh h ALA 430 N 1.35 0.93 -0.26 -0.78 0.00 -1.16 0.33 119.26 119.67 3igh h ALA 430 Ca 0.35 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3igh h ALA 430 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3igh h ALA 430 CO -0.09 0.40 -0.46 0.00 0.00 0.00 0.00 179.25 179.10 3igh h ALA 431 N 1.23 0.71 0.11 0.00 0.00 -0.88 0.19 119.26 120.62 3igh h ALA 431 Ca 0.26 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 3igh h ALA 431 Cb -0.03 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.68 3igh h ALA 431 CO -0.05 0.67 -0.77 0.28 0.00 0.00 0.00 179.25 179.38 3igh h VAL 432 N 0.53 1.49 -0.01 0.00 2.07 -1.00 -1.90 116.25 117.44 3igh h VAL 432 Ca 0.03 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3igh h VAL 432 Cb 1.00 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3igh h VAL 432 CO 0.09 0.69 -0.45 0.59 0.02 0.00 0.00 177.57 178.51 3igh n ASN 433 N -4.14 1.21 -3.25 0.57 3.02 0.11 -4.15 115.26 108.64 3igh n ASN 433 Ca -0.13 -1.11 -0.21 0.00 -0.03 0.00 0.00 54.58 53.10 3igh n ASN 433 Cb 0.79 0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 40.63 3igh n ASN 433 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3igh n ARG 434 N -0.60 -3.18 -1.17 3.52 1.74 0.06 -1.53 116.66 115.49 3igh n ARG 434 Ca 0.05 0.46 -0.03 0.00 -0.77 0.00 0.00 57.85 57.56 3igh n ARG 434 Cb 0.28 -5.14 -0.01 0.00 -1.02 0.00 0.00 32.46 26.56 3igh n ARG 434 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3igh n GLY 435 N -1.10 0.56 3.68 -0.13 0.00 -1.26 -3.50 105.19 103.43 3igh n GLY 435 Ca -0.03 -0.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.52 3igh n GLY 435 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3igh n LYS 436 N -2.76 1.46 -1.10 1.61 4.81 -0.58 -0.65 118.16 120.95 3igh n LYS 436 Ca -0.03 0.53 -0.03 0.00 -0.87 0.00 0.00 58.31 57.91 3igh n LYS 436 Cb 0.13 -2.25 -0.01 0.00 0.02 0.00 0.00 35.03 32.92 3igh n LYS 436 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3igh n GLY 437 N 3.81 0.64 0.25 3.14 0.00 -1.26 -4.82 105.19 106.95 3igh n GLY 437 Ca 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3igh n GLY 437 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3igh n LYS 438 N -2.58 0.00 -3.95 1.61 5.02 0.18 -5.12 118.16 113.33 3igh n LYS 438 Ca -0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 3igh n LYS 438 Cb 0.15 -0.60 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 3igh n LYS 438 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3igh s VAL 439 N -1.45 0.12 0.42 -0.18 -7.23 -0.77 -5.05 120.40 106.26 3igh s VAL 439 Ca 0.00 -0.99 0.16 0.00 -1.81 0.00 0.00 61.98 59.34 3igh s VAL 439 Cb 0.00 -0.61 0.36 0.00 0.56 0.00 0.00 36.38 36.70 3igh s VAL 439 CO 0.00 -0.55 1.90 0.50 -0.31 0.00 0.00 175.10 176.64 3igh h LYS 440 N 4.12 0.40 -0.73 4.82 1.63 -1.88 -3.07 116.57 121.87 3igh h LYS 440 Ca -0.32 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.58 3igh h LYS 440 Cb 1.19 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.68 3igh h LYS 440 CO 0.46 0.27 0.49 1.25 -3.45 0.00 0.00 179.45 178.46 3igh h LEU 441 N 0.42 0.46 0.18 5.20 5.85 -1.91 -2.90 115.31 122.60 3igh h LEU 441 Ca 0.40 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.15 3igh h LEU 441 Cb 0.94 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3igh h LEU 441 CO -0.14 0.25 -0.43 0.22 -0.34 0.00 0.00 178.44 178.01 3igh h TYR 442 N 0.50 -1.21 0.00 1.25 5.03 -1.57 -0.73 116.97 120.23 3igh h TYR 442 Ca 0.35 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.68 3igh h TYR 442 Cb 0.68 0.51 -0.00 0.00 1.55 0.00 0.00 36.73 39.47 3igh h TYR 442 CO -0.00 -0.54 -0.04 0.93 -1.32 0.00 0.00 178.16 177.19 3igh h GLU 443 N -0.70 0.00 0.00 1.82 4.39 -1.75 -0.02 114.58 118.31 3igh h GLU 443 Ca 0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3igh h GLU 443 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3igh h GLU 443 CO -0.21 0.04 -0.74 -0.07 -1.16 0.00 0.00 179.01 176.86 3igh h LEU 444 N 0.00 0.00 -2.76 1.33 3.38 -1.48 -3.38 115.31 112.40 3igh h LEU 444 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3igh h LEU 444 Cb 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.67 3igh h LEU 444 CO 0.00 0.37 -0.63 0.35 0.09 0.00 0.00 178.44 178.63 3igh n THR 445 N -3.04 0.80 -0.33 0.22 -2.24 -0.32 -4.91 114.28 104.47 3igh n THR 445 Ca -0.01 -1.48 0.17 0.00 -2.27 0.00 0.00 64.05 60.46 3igh n THR 445 Cb 0.71 0.40 0.33 0.00 -2.10 0.00 0.00 70.33 69.67 3igh n THR 445 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3igh n LYS 446 N -0.29 -0.07 0.00 -0.78 5.02 -0.08 -1.45 118.16 120.50 3igh n LYS 446 Ca 0.09 1.43 0.06 0.00 -2.02 0.00 0.00 58.31 57.87 3igh n LYS 446 Cb 0.86 -2.32 0.31 0.00 -0.02 0.00 0.00 35.03 33.86 3igh n LYS 446 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3igh n ASP 447 N -5.40 0.00 -0.50 4.39 3.85 -1.26 -2.14 116.55 115.49 3igh n ASP 447 Ca 0.25 0.26 0.13 0.00 -0.71 0.00 0.00 54.79 54.72 3igh n ASP 447 Cb 0.83 -0.37 0.37 0.00 -1.35 0.00 0.00 41.12 40.59 3igh n ASP 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3igh n GLN 448 N -1.37 1.52 -1.78 0.11 1.13 -0.53 -4.92 117.38 111.54 3igh n GLN 448 Ca 0.05 -1.01 -0.41 0.00 -1.94 0.00 0.00 57.00 53.69 3igh n GLN 448 Cb 0.12 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 3igh n GLN 448 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3igh s ALA 449 N -2.18 3.61 0.18 -1.58 0.00 -0.91 -3.62 121.76 117.27 3igh s ALA 449 Ca 0.31 1.60 0.04 0.00 0.00 0.00 0.00 51.96 53.91 3igh s ALA 449 Cb 0.20 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3igh s ALA 449 CO 0.40 -1.08 0.27 -0.51 0.00 0.00 0.00 175.76 174.84 3igh s LEU 450 N -1.88 4.19 0.66 0.00 1.43 -0.71 -4.89 118.68 117.49 3igh s LEU 450 Ca 0.55 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.61 3igh s LEU 450 Cb -0.47 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.01 3igh s LEU 450 CO 0.62 0.02 1.01 1.51 0.23 0.00 0.00 176.35 179.73 3igh s ASP 451 N -3.46 5.41 0.29 2.29 1.47 -1.26 -4.16 116.67 117.24 3igh s ASP 451 Ca 0.34 0.87 -0.02 0.00 1.18 0.00 0.00 52.55 54.92 3igh s ASP 451 Cb -0.10 -1.73 0.42 0.00 -0.34 0.00 0.00 42.92 41.18 3igh s ASP 451 CO 0.27 -1.27 1.95 -0.29 0.68 0.00 0.00 175.17 176.52 3igh h ILE 452 N -0.46 1.22 -0.42 2.11 2.10 -1.96 -1.91 117.51 118.19 3igh h ILE 452 Ca -0.45 -0.42 0.02 0.00 1.08 0.00 0.00 64.86 65.08 3igh h ILE 452 Cb 1.26 0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 37.00 3igh h ILE 452 CO 0.62 0.22 0.25 0.11 -1.08 0.00 0.00 178.15 178.27 3igh h LYS 453 N 1.12 0.50 -0.15 2.19 1.57 -1.94 -0.28 116.57 119.57 3igh h LYS 453 Ca 0.30 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 3igh h LYS 453 Cb -0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3igh h LYS 453 CO -0.06 0.33 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.31 3igh h ASP 454 N 0.51 0.35 -0.30 0.86 3.32 -1.83 -1.22 116.42 118.11 3igh h ASP 454 Ca 0.17 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3igh h ASP 454 Cb -0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3igh h ASP 454 CO -0.07 0.72 0.01 0.00 -1.72 0.00 0.00 179.24 178.17 3igh h ALA 455 N 1.30 0.41 -0.41 3.45 0.00 -1.00 -1.75 119.26 121.27 3igh h ALA 455 Ca 0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3igh h ALA 455 Cb 0.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3igh h ALA 455 CO 0.07 0.15 -0.22 -0.07 0.00 0.00 0.00 179.25 179.18 3igh h LEU 456 N 0.33 0.82 -0.49 0.00 3.38 -0.98 -1.75 115.31 116.62 3igh h LEU 456 Ca 0.09 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3igh h LEU 456 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3igh h LEU 456 CO 0.01 1.02 0.31 -0.74 0.09 0.00 0.00 178.44 179.13 3igh h HIS 457 N 0.71 0.58 -0.21 1.13 2.76 -1.22 -2.34 115.15 116.56 3igh h HIS 457 Ca 0.10 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 3igh h HIS 457 Cb 0.74 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3igh h HIS 457 CO 0.04 0.35 -0.18 0.77 -1.30 0.00 0.00 177.93 177.61 3igh h SER 458 N 0.62 0.34 -0.03 3.26 0.02 -1.08 0.94 113.55 117.61 3igh h SER 458 Ca 0.19 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3igh h SER 458 Cb -0.02 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3igh h SER 458 CO -0.07 0.54 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 3igh n TYR 459 N -4.20 0.03 0.00 3.45 -0.00 -0.68 -1.08 117.16 114.68 3igh n TYR 459 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 3igh n TYR 459 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.67 3igh n TYR 459 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3igh n THR 460 N -0.13 0.00 -0.05 2.97 -2.24 -0.90 -1.02 114.28 112.92 3igh n THR 460 Ca 0.19 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.93 3igh n THR 460 Cb 0.28 -0.15 0.16 0.00 -2.10 0.00 0.00 70.33 68.52 3igh n THR 460 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3igh h TYR 461 N 0.00 0.71 0.18 4.78 3.20 -1.39 -2.12 116.97 122.33 3igh h TYR 461 Ca 0.00 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3igh h TYR 461 Cb 0.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3igh h TYR 461 CO 0.00 0.77 -0.08 0.78 -1.64 0.00 0.00 178.16 177.99 3igh h GLY 462 N 0.98 -0.25 1.01 1.82 0.00 -0.92 -0.52 103.07 105.20 3igh h GLY 462 Ca 0.09 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.52 3igh h GLY 462 CO 0.04 -0.09 0.63 1.76 0.00 0.00 0.00 176.54 178.88 3igh h SER 463 N -0.24 1.12 -0.18 0.19 0.02 -1.05 -1.13 113.55 112.27 3igh h SER 463 Ca -0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3igh h SER 463 Cb 0.19 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3igh h SER 463 CO 0.04 0.82 0.08 0.00 -1.14 0.00 0.00 176.83 176.62 3igh h ALA 464 N 1.35 0.23 -0.63 3.77 0.00 -1.14 -1.78 119.26 121.05 3igh h ALA 464 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3igh h ALA 464 Cb -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3igh h ALA 464 CO -0.07 -0.19 0.34 0.00 0.00 0.00 0.00 179.25 179.33 3igh h ARG 465 N 0.14 0.88 -0.38 0.00 2.47 -0.88 0.20 114.38 116.81 3igh h ARG 465 Ca 0.06 -0.10 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 3igh h ARG 465 Cb 0.15 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3igh h ARG 465 CO -0.01 0.67 0.25 0.28 0.56 0.00 0.00 179.97 181.73 3igh h VAL 466 N 0.86 1.03 -0.43 2.04 2.07 -1.12 -1.69 116.25 119.00 3igh h VAL 466 Ca 0.22 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3igh h VAL 466 Cb 0.05 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3igh h VAL 466 CO -0.04 0.07 0.00 -0.24 0.02 0.00 0.00 177.57 177.39 3igh n SER 467 N -4.48 2.65 -3.36 0.57 2.88 -0.68 -4.93 113.62 106.27 3igh n SER 467 Ca 0.04 -1.94 -0.24 0.00 -1.33 0.00 0.00 58.87 55.39 3igh n SER 467 Cb 0.15 -0.28 0.04 0.00 -0.75 0.00 0.00 64.21 63.37 3igh n SER 467 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3igh n LEU 468 N 0.95 -2.63 -4.33 2.46 4.77 -0.58 -4.94 117.00 112.70 3igh n LEU 468 Ca 0.17 -0.44 -0.47 0.00 -0.03 0.00 0.00 56.01 55.24 3igh n LEU 468 Cb 0.44 -2.78 -0.02 0.00 -2.33 0.00 0.00 43.42 38.73 3igh n LEU 468 CO 0.13 0.36 0.41 0.00 -1.33 0.00 0.00 177.39 176.95 3igh s ALA 469 N -3.19 4.06 -0.25 -1.18 0.00 0.59 -4.91 121.76 116.87 3igh s ALA 469 Ca 0.45 -3.28 0.28 0.00 0.00 0.00 0.00 51.96 49.40 3igh s ALA 469 Cb -0.21 -3.49 0.95 0.00 0.00 0.00 0.00 23.12 20.37 3igh s ALA 469 CO 0.55 -2.26 1.81 0.66 0.00 0.00 0.00 175.76 176.52 3igh h SER 470 N 7.82 0.00 -0.35 0.00 4.64 -1.92 -2.93 113.55 120.81 3igh h SER 470 Ca 0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3igh h SER 470 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 3igh h SER 470 CO 0.77 0.00 0.02 -0.90 -0.87 0.00 0.00 176.83 175.85 3igh n ASP 471 N -2.84 3.83 -4.28 4.97 5.75 -1.26 -4.97 116.55 117.75 3igh n ASP 471 Ca 0.02 -3.18 -0.25 0.00 -0.01 0.00 0.00 54.79 51.38 3igh n ASP 471 Cb 0.37 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.74 3igh n ASP 471 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3igh s ILE 472 N -2.93 1.71 0.00 2.12 1.01 -1.11 0.19 121.20 122.19 3igh s ILE 472 Ca 0.45 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3igh s ILE 472 Cb 0.37 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 41.31 3igh s ILE 472 CO 0.08 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3igh n GLY 473 N 1.31 2.21 3.39 6.18 0.00 -1.26 -4.74 105.19 112.28 3igh n GLY 473 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 3igh n GLY 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igh s LYS 474 N -0.02 1.46 -0.40 1.61 1.02 -1.26 -3.24 119.74 118.91 3igh s LYS 474 Ca 0.00 -1.73 0.04 0.00 0.02 0.00 0.00 55.97 54.31 3igh s LYS 474 Cb 0.00 -1.02 0.46 0.00 -0.52 0.00 0.00 37.83 36.75 3igh s LYS 474 CO 0.00 0.03 1.45 1.28 -0.92 0.00 0.00 175.35 177.18 3igh n LEU 475 N -0.51 5.71 -4.94 3.17 4.77 -0.01 -4.69 117.00 120.50 3igh n LEU 475 Ca -0.06 -4.58 -0.24 0.00 -0.03 0.00 0.00 56.01 51.10 3igh n LEU 475 Cb 0.63 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3igh n LEU 475 CO 0.38 1.90 0.23 -1.61 -1.33 0.00 0.00 177.39 176.96 3igh s GLU 476 N -3.66 3.45 0.19 3.23 2.02 -1.26 -4.81 118.70 117.87 3igh s GLU 476 Ca 0.55 -0.27 -0.32 0.00 0.02 0.00 0.00 54.97 54.95 3igh s GLU 476 Cb 0.44 -2.61 -0.15 0.00 0.10 0.00 0.00 34.13 31.91 3igh s GLU 476 CO 0.02 0.05 1.23 -2.30 0.02 0.00 0.00 175.26 174.28 3igh n PRO 477 N -1.89 1.38 0.00 0.39 -0.02 -1.26 -2.19 135.00 131.41 3igh n PRO 477 Ca -0.03 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3igh n PRO 477 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3igh n PRO 477 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3igh n GLY 478 N 2.07 3.13 3.84 -1.23 0.00 -0.55 -5.00 105.19 107.45 3igh n GLY 478 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3igh n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3igh s PHE 479 N -2.92 3.36 0.37 1.61 0.40 -0.93 -4.86 117.98 115.01 3igh s PHE 479 Ca 0.00 1.38 -0.28 0.00 -0.60 0.00 0.00 56.93 57.43 3igh s PHE 479 Cb 0.00 -2.67 -0.11 0.00 0.51 0.00 0.00 43.02 40.75 3igh s PHE 479 CO 0.00 -0.03 1.44 0.15 0.70 0.00 0.00 175.22 177.48 3igh s LYS 480 N -3.18 4.17 -1.41 0.44 1.02 0.13 -0.95 119.74 119.96 3igh s LYS 480 Ca 0.57 2.48 -0.11 0.00 0.02 0.00 0.00 55.97 58.93 3igh s LYS 480 Cb -0.10 -2.99 0.07 0.00 -0.52 0.00 0.00 37.83 34.30 3igh s LYS 480 CO 0.17 -0.45 2.20 0.00 -0.92 0.00 0.00 175.35 176.36 3igh n ALA 481 N 0.54 5.81 -2.77 5.17 0.00 0.65 -4.72 120.51 125.19 3igh n ALA 481 Ca 0.01 -4.01 -0.43 0.00 0.00 0.00 0.00 53.44 49.01 3igh n ALA 481 Cb 0.40 -3.27 -0.09 0.00 0.00 0.00 0.00 19.45 16.49 3igh n ALA 481 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3igh s GLU 482 N 1.80 2.94 0.08 0.00 0.41 -1.26 -4.94 118.70 117.73 3igh s GLU 482 Ca 0.48 -1.24 -0.01 0.00 -0.41 0.00 0.00 54.97 53.78 3igh s GLU 482 Cb 0.13 -4.03 -0.04 0.00 -1.78 0.00 0.00 34.13 28.41 3igh s GLU 482 CO -0.05 -0.92 0.01 1.52 -0.49 0.00 0.00 175.26 175.33 3igh s TYR 483 N 1.63 0.63 0.07 1.61 -0.85 -1.26 -1.15 117.35 118.03 3igh s TYR 483 Ca 0.04 -1.11 0.07 0.00 -0.52 0.00 0.00 57.07 55.56 3igh s TYR 483 Cb -0.22 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 3igh s TYR 483 CO 0.07 -0.44 -0.20 0.96 -1.52 0.00 0.00 175.55 174.43 3igh s ILE 484 N -3.96 1.60 -0.21 -3.49 -4.36 -0.55 -4.66 121.20 105.56 3igh s ILE 484 Ca 0.13 -1.31 -0.07 0.00 -0.26 0.00 0.00 60.65 59.14 3igh s ILE 484 Cb 0.08 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 3igh s ILE 484 CO -0.06 0.07 0.07 -0.63 0.24 0.00 0.00 174.94 174.62 3igh s ILE 485 N -0.96 4.62 0.17 8.37 1.01 -1.26 -2.28 121.20 130.87 3igh s ILE 485 Ca 0.06 -0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.74 3igh s ILE 485 Cb -0.09 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 3igh s ILE 485 CO 0.03 0.41 -0.24 -0.76 0.00 0.00 0.00 174.94 174.38 3igh s LEU 486 N 0.81 2.44 0.28 2.97 1.43 0.20 -4.96 118.68 121.84 3igh s LEU 486 Ca 0.03 -0.82 0.13 0.00 -1.03 0.00 0.00 54.13 52.45 3igh s LEU 486 Cb -0.14 -1.22 0.30 0.00 0.03 0.00 0.00 46.19 45.17 3igh s LEU 486 CO 0.02 0.14 1.56 0.44 0.23 0.00 0.00 176.35 178.74 3igh h ASP 487 N 3.37 0.00 -3.96 2.29 3.32 -1.97 0.14 116.42 119.61 3igh h ASP 487 Ca -0.48 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.23 3igh h ASP 487 Cb 1.20 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 3igh h ASP 487 CO 0.46 0.60 -0.69 -0.13 -1.72 0.00 0.00 179.24 177.75 3igh s ARG 488 N -3.33 1.15 -0.17 3.56 0.52 -1.26 -4.65 118.95 114.77 3igh s ARG 488 Ca 0.00 -1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 53.40 3igh s ARG 488 Cb 0.11 -0.60 -0.05 0.00 0.52 0.00 0.00 34.95 34.92 3igh s ARG 488 CO 0.75 0.01 2.06 0.34 0.02 0.00 0.00 175.30 178.48 3igh s ASP 489 N -3.21 5.82 0.59 0.23 3.68 -1.26 -4.73 116.67 117.80 3igh s ASP 489 Ca 0.21 1.99 0.34 0.00 2.13 0.00 0.00 52.55 57.22 3igh s ASP 489 Cb 0.04 -2.52 1.87 0.00 -1.45 0.00 0.00 42.92 40.86 3igh s ASP 489 CO 0.03 -1.65 2.22 1.55 0.13 0.00 0.00 175.17 177.45 3igh h PRO 490 N 13.36 0.00 0.00 4.34 0.13 -1.98 -1.20 132.00 146.65 3igh h PRO 490 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3igh h PRO 490 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3igh h PRO 490 CO 0.97 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 180.05 3igh n LEU 491 N -3.52 0.00 0.00 1.56 4.77 -1.26 -3.78 117.00 114.77 3igh n LEU 491 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3igh n LEU 491 Cb 0.14 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3igh n LEU 491 CO 0.26 -0.11 0.07 0.52 -1.33 0.00 0.00 177.39 176.79 3igh n VAL 492 N -1.44 0.00 -3.66 4.08 0.31 -0.47 -4.99 118.33 112.17 3igh n VAL 492 Ca 0.07 -0.33 -0.38 0.00 -0.01 0.00 0.00 64.34 63.69 3igh n VAL 492 Cb 0.23 1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 34.23 3igh n VAL 492 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3igh s VAL 493 N -0.40 5.23 0.25 2.52 1.01 -1.13 -5.04 120.40 122.84 3igh s VAL 493 Ca 0.00 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 3igh s VAL 493 Cb 0.00 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 3igh s VAL 493 CO 0.00 0.59 1.58 0.29 0.00 0.00 0.00 175.10 177.56 3igh n LYS 494 N 1.95 2.52 -0.31 2.72 5.02 -1.26 -4.92 118.16 123.88 3igh n LYS 494 Ca -0.16 0.90 0.04 0.00 -2.02 0.00 0.00 58.31 57.07 3igh n LYS 494 Cb 0.53 -2.67 0.19 0.00 -0.02 0.00 0.00 35.03 33.06 3igh n LYS 494 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3igh h GLU 495 N 5.25 0.81 -0.14 1.97 3.07 -1.94 -1.94 114.58 121.66 3igh h GLU 495 Ca -0.45 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3igh h GLU 495 Cb 1.23 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3igh h GLU 495 CO 0.83 0.54 0.00 0.41 -1.40 0.00 0.00 179.01 179.39 3igh n GLY 496 N -1.33 -0.52 0.27 -3.84 0.00 -1.26 -3.98 105.19 94.54 3igh n GLY 496 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3igh n GLY 496 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3igh n HIS 497 N -0.30 0.23 -2.79 1.61 8.25 -0.73 -5.02 115.22 116.47 3igh n HIS 497 Ca 0.02 -0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 56.26 3igh n HIS 497 Cb 0.07 -0.15 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 3igh n HIS 497 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3igh s HIS 498 N -2.25 3.90 0.36 4.41 3.76 -1.26 -4.98 115.29 119.24 3igh s HIS 498 Ca 0.26 1.81 0.08 0.00 -0.15 0.00 0.00 55.06 57.05 3igh s HIS 498 Cb 0.21 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.91 3igh s HIS 498 CO 0.05 0.37 0.29 -1.01 -0.85 0.00 0.00 174.74 173.58 3igh s HIS 499 N -0.71 2.80 0.00 1.40 3.76 -1.26 -5.19 115.29 116.09 3igh s HIS 499 Ca 0.42 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 3igh s HIS 499 Cb -0.24 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.56 3igh s HIS 499 CO 0.30 0.12 0.00 -2.39 -0.85 0.00 0.00 174.74 171.92