#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xae n GLY 7 N 0.00 0.73 3.79 -1.41 0.00 -1.26 -4.54 105.19 102.50 1xae n GLY 7 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xae n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xae s LEU 8 N 0.00 4.18 0.44 0.99 1.43 -1.26 -5.06 118.68 119.40 1xae s LEU 8 Ca 0.00 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1xae s LEU 8 Cb 0.00 -4.18 -0.00 0.00 0.03 0.00 0.00 46.19 42.03 1xae s LEU 8 CO 0.00 -0.32 0.65 -0.54 0.23 0.00 0.00 176.35 176.37 1xae s LYS 9 N -2.45 3.06 0.20 1.70 3.01 -1.26 -4.99 119.74 119.01 1xae s LYS 9 Ca 0.56 -0.56 -0.03 0.00 -1.01 0.00 0.00 55.97 54.93 1xae s LYS 9 Cb -0.19 -2.59 0.16 0.00 -1.01 0.00 0.00 37.83 34.20 1xae s LYS 9 CO 0.24 -0.24 1.56 1.49 0.51 0.00 0.00 175.35 178.90 1xae h GLU 10 N 0.45 0.62 -5.91 1.68 4.57 -1.97 -3.41 114.58 110.61 1xae h GLU 10 Ca -0.46 -0.33 -0.68 0.00 -1.18 0.00 0.00 59.36 56.71 1xae h GLU 10 Cb 1.25 0.01 -0.27 0.00 -0.16 0.00 0.00 28.75 29.59 1xae h GLU 10 CO 0.57 0.93 -0.80 -2.00 -1.18 0.00 0.00 179.01 176.52 1xae s GLU 11 N -4.21 2.80 0.11 1.92 2.12 -1.26 -3.53 118.70 116.65 1xae s GLU 11 Ca -0.08 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.52 1xae s GLU 11 Cb 0.12 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1xae s GLU 11 CO 0.84 0.42 -0.08 -1.64 -0.54 0.00 0.00 175.26 174.26 1xae s MET 12 N -0.21 0.90 0.13 4.30 -1.94 0.28 -4.93 119.30 117.83 1xae s MET 12 Ca -0.01 -1.37 0.09 0.00 -1.71 0.00 0.00 55.69 52.70 1xae s MET 12 Cb -0.13 -0.33 -0.04 0.00 2.01 0.00 0.00 34.83 36.34 1xae s MET 12 CO 0.03 0.01 -0.19 0.95 -0.01 0.00 0.00 175.02 175.81 1xae s THR 13 N -3.53 2.76 0.07 2.05 -4.23 -1.16 0.98 115.64 112.58 1xae s THR 13 Ca 0.13 -1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1xae s THR 13 Cb 0.04 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 1xae s THR 13 CO -0.03 0.05 0.08 0.00 -0.54 0.00 0.00 174.62 174.18 1xae s MET 14 N -2.28 0.72 0.06 3.99 0.23 0.94 -0.39 119.30 122.57 1xae s MET 14 Ca 0.19 -1.06 0.08 0.00 -1.03 0.00 0.00 55.69 53.87 1xae s MET 14 Cb -0.10 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1xae s MET 14 CO 0.10 -0.19 -0.23 0.15 -2.03 0.00 0.00 175.02 172.83 1xae s LYS 15 N -3.80 1.48 -0.03 3.16 -0.14 0.78 -1.52 119.74 119.67 1xae s LYS 15 Ca 0.05 -1.06 0.04 0.00 -1.36 0.00 0.00 55.97 53.64 1xae s LYS 15 Cb 0.06 -1.67 -0.01 0.00 -1.68 0.00 0.00 37.83 34.54 1xae s LYS 15 CO -0.10 0.42 -0.16 0.71 -0.76 0.00 0.00 175.35 175.46 1xae s TYR 16 N -0.87 1.50 -0.27 3.18 1.51 -0.60 -0.98 117.35 120.82 1xae s TYR 16 Ca 0.09 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1xae s TYR 16 Cb -0.09 -1.00 0.13 0.00 -0.11 0.00 0.00 41.96 40.88 1xae s TYR 16 CO 0.03 -0.11 0.30 -1.58 -1.11 0.00 0.00 175.55 173.08 1xae s HIS 17 N -0.08 -0.51 -0.17 2.71 2.46 -1.00 0.28 115.29 118.99 1xae s HIS 17 Ca -0.00 0.06 -0.04 0.00 0.47 0.00 0.00 55.06 55.54 1xae s HIS 17 Cb -0.09 -0.37 -0.03 0.00 -0.13 0.00 0.00 32.58 31.97 1xae s HIS 17 CO 0.01 -0.84 -0.02 1.41 -2.47 0.00 0.00 174.74 172.83 1xae s MET 18 N 2.39 3.69 -0.20 2.88 0.00 0.18 -1.56 119.30 126.68 1xae s MET 18 Ca 0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 55.69 55.24 1xae s MET 18 Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 34.83 31.70 1xae s MET 18 CO -0.27 0.20 -0.04 -1.21 0.00 0.00 0.00 175.02 173.70 1xae s GLU 19 N 0.49 3.48 0.00 4.11 2.02 0.11 -1.79 118.70 127.12 1xae s GLU 19 Ca -0.02 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1xae s GLU 19 Cb -0.14 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1xae s GLU 19 CO 0.02 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1xae n GLY 20 N 4.36 4.10 3.17 -1.39 0.00 -1.00 -0.45 105.19 113.99 1xae n GLY 20 Ca -0.18 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.03 1xae n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xae s VAL 22 N -1.01 -0.22 -1.41 1.61 1.01 0.72 -0.51 120.40 120.58 1xae s VAL 22 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1xae s VAL 22 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1xae s VAL 22 CO 0.00 0.00 0.67 0.59 0.00 0.00 0.00 175.10 176.36 1xae n ASN 23 N 5.32 -5.87 0.00 3.32 4.13 0.15 -1.82 115.26 120.50 1xae n ASN 23 Ca -0.08 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1xae n ASN 23 Cb 0.54 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1xae n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xae n GLY 24 N -1.56 1.71 3.56 7.41 0.00 -1.26 -5.01 105.19 110.04 1xae n GLY 24 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1xae n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xae s HIS 25 N -2.34 3.02 0.23 1.61 5.04 -0.76 -5.03 115.29 117.06 1xae s HIS 25 Ca 0.00 0.34 -0.19 0.00 -1.54 0.00 0.00 55.06 53.67 1xae s HIS 25 Cb 0.00 -3.62 -0.08 0.00 0.04 0.00 0.00 32.58 28.92 1xae s HIS 25 CO 0.00 -0.91 0.72 0.15 -2.34 0.00 0.00 174.74 172.36 1xae s LYS 26 N 3.30 4.24 0.23 2.88 3.01 -1.26 -0.20 119.74 131.94 1xae s LYS 26 Ca 0.32 0.86 -0.14 0.00 -1.01 0.00 0.00 55.97 55.99 1xae s LYS 26 Cb -0.12 -2.86 0.00 0.00 -1.01 0.00 0.00 37.83 33.84 1xae s LYS 26 CO 0.21 0.38 0.49 -0.59 0.51 0.00 0.00 175.35 176.35 1xae s PHE 27 N -1.55 0.24 -0.08 3.18 -0.12 0.34 -4.21 117.98 115.78 1xae s PHE 27 Ca 0.44 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.68 1xae s PHE 27 Cb -0.16 0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1xae s PHE 27 CO 0.21 -0.97 0.10 0.08 -0.05 0.00 0.00 175.22 174.59 1xae s VAL 28 N -3.98 -0.17 -0.04 -2.49 1.01 0.19 -2.37 120.40 112.54 1xae s VAL 28 Ca 0.19 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1xae s VAL 28 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1xae s VAL 28 CO 0.06 0.08 -0.23 -0.63 0.00 0.00 0.00 175.10 174.39 1xae s ILE 29 N 2.21 2.32 0.14 2.22 1.01 -0.74 0.94 121.20 129.30 1xae s ILE 29 Ca 0.04 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.78 1xae s ILE 29 Cb -0.13 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1xae s ILE 29 CO -0.05 0.58 -0.19 0.42 0.00 0.00 0.00 174.94 175.70 1xae s THR 30 N -0.43 1.71 0.36 2.92 -4.23 -1.26 0.52 115.64 115.23 1xae s THR 30 Ca 0.05 -1.75 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1xae s THR 30 Cb -0.12 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.06 1xae s THR 30 CO 0.01 -0.24 0.60 -0.83 -0.54 0.00 0.00 174.62 173.62 1xae s GLY 31 N -2.36 1.09 -0.08 3.99 0.00 0.14 -4.42 107.32 105.69 1xae s GLY 31 Ca 0.11 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 43.39 1xae s GLY 31 CO 0.05 -0.74 0.48 -1.83 0.00 0.00 0.00 173.10 171.06 1xae s GLU 32 N -2.73 0.76 0.23 2.90 4.04 -0.55 -1.55 118.70 121.80 1xae s GLU 32 Ca 0.25 0.22 -0.22 0.00 0.04 0.00 0.00 54.97 55.26 1xae s GLU 32 Cb -0.02 0.35 0.04 0.00 0.02 0.00 0.00 34.13 34.52 1xae s GLU 32 CO 0.17 -0.19 0.67 0.20 -1.84 0.00 0.00 175.26 174.27 1xae s GLY 33 N -0.78 -0.28 0.02 -3.83 0.00 -0.57 0.13 107.32 102.00 1xae s GLY 33 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.70 1xae s GLY 33 CO 0.05 -0.00 -0.24 -0.42 0.00 0.00 0.00 173.10 172.48 1xae s ILE 34 N -3.86 1.94 0.19 0.90 -1.09 -0.94 -0.04 121.20 118.30 1xae s ILE 34 Ca 0.07 -1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 57.19 1xae s ILE 34 Cb -0.04 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 1xae s ILE 34 CO -0.01 0.41 0.39 -0.83 -1.23 0.00 0.00 174.94 173.68 1xae s GLY 35 N -0.92 0.37 -0.54 6.18 0.00 0.27 -1.73 107.32 110.95 1xae s GLY 35 Ca 0.10 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.12 1xae s GLY 35 CO 0.01 -0.65 0.34 -0.19 0.00 0.00 0.00 173.10 172.61 1xae s TYR 36 N -3.96 2.62 0.27 1.90 1.51 0.13 0.10 117.35 119.93 1xae s TYR 36 Ca 0.17 -2.86 -0.05 0.00 -1.01 0.00 0.00 57.07 53.31 1xae s TYR 36 Cb 0.01 -2.22 0.52 0.00 -0.11 0.00 0.00 41.96 40.16 1xae s TYR 36 CO 0.02 -0.70 1.59 -1.35 -1.11 0.00 0.00 175.55 173.99 1xae h PRO 37 N 6.12 0.03 0.00 -1.71 0.11 -1.78 0.91 132.00 135.67 1xae h PRO 37 Ca 0.06 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1xae h PRO 37 Cb 0.86 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1xae h PRO 37 CO 0.59 0.02 -0.09 0.74 -0.21 0.00 0.00 178.00 179.05 1xae h PHE 38 N 0.03 0.00 0.00 0.65 -1.00 -1.85 -3.03 116.94 111.74 1xae h PHE 38 Ca 0.48 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.20 1xae h PHE 38 Cb 0.85 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.40 1xae h PHE 38 CO -0.57 0.09 -1.05 0.87 -1.61 0.00 0.00 178.31 176.04 1xae h LYS 39 N 0.00 0.00 -0.76 1.51 6.56 -0.23 -3.42 116.57 120.23 1xae h LYS 39 Ca -0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 1xae h LYS 39 Cb 0.89 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 1xae h LYS 39 CO 0.01 0.13 -0.14 0.41 -2.06 0.00 0.00 179.45 177.79 1xae n GLY 40 N 1.25 0.19 3.31 3.86 0.00 0.26 -4.40 105.19 109.66 1xae n GLY 40 Ca -0.03 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1xae n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xae s LYS 41 N -4.13 1.36 -0.17 1.61 1.02 -1.08 -0.70 119.74 117.65 1xae s LYS 41 Ca 0.00 -1.13 -0.20 0.00 0.02 0.00 0.00 55.97 54.66 1xae s LYS 41 Cb 0.00 -1.62 0.05 0.00 -0.52 0.00 0.00 37.83 35.74 1xae s LYS 41 CO 0.00 0.40 0.54 1.14 -0.92 0.00 0.00 175.35 176.51 1xae s GLN 42 N -1.62 0.69 -0.15 1.68 -2.07 -0.59 0.22 119.66 117.83 1xae s GLN 42 Ca 0.09 0.62 -0.01 0.00 -1.82 0.00 0.00 55.36 54.24 1xae s GLN 42 Cb -0.10 0.33 0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1xae s GLN 42 CO 0.04 -0.11 -0.04 0.99 -1.32 0.00 0.00 175.29 174.84 1xae s THR 43 N -0.02 0.95 0.15 3.63 2.01 -0.70 -0.85 115.64 120.80 1xae s THR 43 Ca -0.02 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.62 1xae s THR 43 Cb -0.04 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1xae s THR 43 CO 0.02 0.17 -0.24 0.27 -0.69 0.00 0.00 174.62 174.15 1xae s ILE 44 N 1.71 2.14 -0.20 1.82 -4.36 -0.34 -2.21 121.20 119.76 1xae s ILE 44 Ca 0.02 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1xae s ILE 44 Cb -0.14 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.63 1xae s ILE 44 CO -0.08 -0.04 -0.09 0.20 0.24 0.00 0.00 174.94 175.18 1xae s ASN 45 N -2.26 3.97 0.22 4.36 0.02 0.12 0.44 114.94 121.81 1xae s ASN 45 Ca 0.15 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 51.54 1xae s ASN 45 Cb -0.09 -1.66 0.01 0.00 0.02 0.00 0.00 41.25 39.53 1xae s ASN 45 CO 0.07 -0.00 0.11 0.18 0.02 0.00 0.00 177.10 177.48 1xae n LEU 46 N 4.67 0.00 -3.71 0.60 4.77 -0.54 -1.48 117.00 121.31 1xae n LEU 46 Ca -0.19 -1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 54.27 1xae n LEU 46 Cb 0.51 0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1xae n LEU 46 CO 0.28 -0.33 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.00 1xae s VAL 48 N -1.32 0.79 -1.48 4.08 1.01 -0.54 -2.86 120.40 120.09 1xae s VAL 48 Ca 0.09 -1.37 0.25 0.00 0.00 0.00 0.00 61.98 60.95 1xae s VAL 48 Cb -0.01 -1.61 0.13 0.00 0.00 0.00 0.00 36.38 34.89 1xae s VAL 48 CO 0.06 -0.69 1.43 2.30 0.00 0.00 0.00 175.10 178.20 1xae n ILE 49 N 4.84 0.00 -3.68 2.22 -5.35 0.27 -4.62 119.36 113.04 1xae n ILE 49 Ca -0.02 -0.09 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1xae n ILE 49 Cb 0.42 0.46 -0.08 0.00 -1.74 0.00 0.00 39.64 38.69 1xae n ILE 49 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1xae s GLU 50 N -2.70 0.67 0.00 6.28 2.02 -0.61 -4.90 118.70 119.47 1xae s GLU 50 Ca 0.18 0.81 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1xae s GLU 50 Cb 0.18 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.73 1xae s GLU 50 CO 0.61 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1xae n GLY 51 N 2.84 0.72 3.90 -1.39 0.00 -1.26 0.55 105.19 110.55 1xae n GLY 51 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1xae n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xae s GLY 52 N -2.00 1.57 0.48 -0.02 0.00 -1.26 -3.99 107.32 102.10 1xae s GLY 52 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 44.72 44.09 1xae s GLY 52 CO 0.00 -0.24 1.08 2.56 0.00 0.00 0.00 173.10 176.49 1xae s PRO 53 N -4.67 3.76 0.14 2.90 0.04 -1.26 -5.08 135.00 130.83 1xae s PRO 53 Ca 0.49 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 1xae s PRO 53 Cb -0.10 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1xae s PRO 53 CO 0.44 -0.49 1.43 -0.51 0.04 0.00 0.00 177.00 177.91 1xae s LEU 54 N -3.35 4.37 0.22 -3.56 1.43 -1.26 -4.90 118.68 111.64 1xae s LEU 54 Ca 0.66 2.43 0.23 0.00 -1.03 0.00 0.00 54.13 56.42 1xae s LEU 54 Cb -0.21 -3.59 0.93 0.00 0.03 0.00 0.00 46.19 43.35 1xae s LEU 54 CO 0.25 -0.69 1.69 -2.65 0.23 0.00 0.00 176.35 175.18 1xae n PRO 55 N 3.74 0.17 -4.65 1.29 -0.01 -1.26 -4.82 135.00 129.47 1xae n PRO 55 Ca 0.11 0.38 -0.31 0.00 -0.01 0.00 0.00 63.50 63.67 1xae n PRO 55 Cb 0.41 -1.81 -0.08 0.00 -0.01 0.00 0.00 33.50 32.00 1xae n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 175.50 174.90 1xae s PHE 56 N -3.25 2.12 -0.01 6.00 -0.12 -1.26 -4.68 117.98 116.77 1xae s PHE 56 Ca 0.05 -0.83 -0.30 0.00 -0.05 0.00 0.00 56.93 55.80 1xae s PHE 56 Cb 0.10 -1.70 -0.06 0.00 -0.63 0.00 0.00 43.02 40.73 1xae s PHE 56 CO 0.40 0.28 1.47 0.45 -0.05 0.00 0.00 175.22 177.76 1xae s SER 57 N -3.84 6.79 0.00 1.98 0.15 0.72 -4.88 113.70 114.62 1xae s SER 57 Ca 0.19 2.15 0.09 0.00 0.70 0.00 0.00 55.95 59.07 1xae s SER 57 Cb 0.04 -2.55 0.39 0.00 -1.71 0.00 0.00 66.02 62.19 1xae s SER 57 CO 0.10 -0.78 1.23 -1.84 1.20 0.00 0.00 173.24 173.15 1xae n GLU 58 N 5.81 0.05 0.22 5.44 0.28 -1.26 -2.85 120.64 128.32 1xae n GLU 58 Ca 0.14 0.30 0.11 0.00 -0.16 0.00 0.00 57.16 57.55 1xae n GLU 58 Cb 0.43 -1.50 0.35 0.00 1.43 0.00 0.00 31.44 32.16 1xae n GLU 58 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1xae h ASP 59 N 0.00 0.00 0.92 -1.84 3.32 -1.96 -3.13 116.42 113.73 1xae h ASP 59 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1xae h ASP 59 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1xae h ASP 59 CO 0.00 0.16 -0.18 0.16 -1.72 0.00 0.00 179.24 177.65 1xae h ILE 60 N 0.00 0.46 0.00 0.35 3.07 -1.94 -3.16 117.51 116.29 1xae h ILE 60 Ca -0.00 -1.00 -0.19 0.00 1.55 0.00 0.00 64.86 65.22 1xae h ILE 60 Cb 0.88 1.71 -0.03 0.00 -0.27 0.00 0.00 36.82 39.11 1xae h ILE 60 CO 0.02 0.18 -1.11 -0.07 -1.05 0.00 0.00 178.15 176.12 1xae h LEU 61 N 0.00 0.00 -0.03 0.16 3.38 -1.78 -3.42 115.31 113.62 1xae h LEU 61 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xae h LEU 61 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xae h LEU 61 CO 0.02 0.77 -0.02 -1.20 0.09 0.00 0.00 178.44 178.10 1xae n SER 62 N -3.15 -0.04 0.00 -0.43 7.64 -1.19 -0.18 113.62 116.27 1xae n SER 62 Ca -0.05 0.59 0.05 0.00 1.01 0.00 0.00 58.87 60.47 1xae n SER 62 Cb 0.88 -0.27 0.22 0.00 -1.01 0.00 0.00 64.21 64.03 1xae n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xae n ALA 63 N -2.62 1.47 -2.02 -0.43 0.00 -1.26 -5.07 120.51 110.57 1xae n ALA 63 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1xae n ALA 63 Cb 0.01 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 1xae n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xae n GLY 64 N -0.44 4.72 3.01 0.00 0.00 0.74 -5.14 105.19 108.08 1xae n GLY 64 Ca 0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 1xae n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xae s ASP 69 N 1.44 -0.42 0.14 1.61 -1.08 -1.26 -4.85 116.67 112.25 1xae s ASP 69 Ca 0.47 -0.21 0.09 0.00 -0.52 0.00 0.00 52.55 52.38 1xae s ASP 69 Cb 0.13 1.47 0.49 0.00 -1.46 0.00 0.00 42.92 43.55 1xae s ASP 69 CO -0.04 -0.33 1.27 0.54 0.52 0.00 0.00 175.17 177.13 1xae n ARG 70 N 5.32 0.06 -0.18 4.34 5.12 -1.26 -0.70 116.66 129.37 1xae n ARG 70 Ca 0.03 0.55 -0.01 0.00 -1.93 0.00 0.00 57.85 56.49 1xae n ARG 70 Cb 0.51 -1.71 0.22 0.00 -1.16 0.00 0.00 32.46 30.33 1xae n ARG 70 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1xae h ILE 71 N 0.00 1.21 -0.55 0.55 2.04 -1.96 -3.08 117.51 115.72 1xae h ILE 71 Ca 0.00 -0.56 -0.73 0.00 1.00 0.00 0.00 64.86 64.57 1xae h ILE 71 Cb 0.03 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 36.38 1xae h ILE 71 CO 0.00 0.24 2.70 0.49 0.00 0.00 0.00 178.15 181.58 1xae n PHE 72 N -4.36 3.30 -3.61 1.37 3.01 0.12 -4.72 117.46 112.59 1xae n PHE 72 Ca 0.06 -2.90 -0.13 0.00 1.01 0.00 0.00 57.45 55.49 1xae n PHE 72 Cb 0.12 -2.32 -0.12 0.00 -0.01 0.00 0.00 39.48 37.15 1xae n PHE 72 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1xae s THR 73 N 2.09 -0.46 -0.38 4.37 2.01 -1.17 -4.49 115.64 117.60 1xae s THR 73 Ca 0.44 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1xae s THR 73 Cb 0.12 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 72.09 1xae s THR 73 CO -0.05 0.04 1.28 -0.70 -0.69 0.00 0.00 174.62 174.50 1xae s GLU 74 N 2.46 3.76 0.07 4.92 2.12 0.13 -4.65 118.70 127.51 1xae s GLU 74 Ca 0.03 0.96 -0.00 0.00 0.36 0.00 0.00 54.97 56.31 1xae s GLU 74 Cb -0.13 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 1xae s GLU 74 CO -0.10 -1.32 0.22 0.71 -0.54 0.00 0.00 175.26 174.23 1xae s TYR 75 N 4.70 3.52 0.65 5.30 1.51 -1.26 0.45 117.35 132.21 1xae s TYR 75 Ca 0.55 0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.77 1xae s TYR 75 Cb -0.13 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1xae s TYR 75 CO 0.28 0.58 1.05 -1.25 -1.11 0.00 0.00 175.55 175.09 1xae s PRO 76 N -2.52 3.38 0.28 -1.71 0.04 -1.26 -4.96 135.00 128.25 1xae s PRO 76 Ca 0.35 0.69 0.05 0.00 0.04 0.00 0.00 61.00 62.13 1xae s PRO 76 Cb -0.13 -2.06 0.40 0.00 0.04 0.00 0.00 34.50 32.75 1xae s PRO 76 CO 0.28 -0.71 1.67 -0.56 0.04 0.00 0.00 177.00 177.72 1xae h GLN 77 N -0.42 0.31 0.00 4.56 -0.00 -2.00 -2.46 115.11 115.10 1xae h GLN 77 Ca -0.44 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 1xae h GLN 77 Cb 1.21 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 1xae h GLN 77 CO 0.62 0.67 0.00 -0.40 -0.00 0.00 0.00 178.83 179.73 1xae n ASP 78 N -4.02 0.08 -4.41 0.06 5.75 -1.26 -4.70 116.55 108.05 1xae n ASP 78 Ca -0.02 0.52 -0.33 0.00 -0.01 0.00 0.00 54.79 54.95 1xae n ASP 78 Cb 0.49 -0.53 -0.14 0.00 -1.03 0.00 0.00 41.12 39.91 1xae n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xae s ILE 79 N -3.03 3.21 0.12 2.12 1.01 -0.93 -5.04 121.20 118.67 1xae s ILE 79 Ca 0.08 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 59.80 1xae s ILE 79 Cb 0.11 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 1xae s ILE 79 CO 0.31 0.53 1.52 -0.69 0.00 0.00 0.00 174.94 176.61 1xae s VAL 80 N 0.23 2.96 -1.08 2.92 1.01 -1.26 -4.56 120.40 120.62 1xae s VAL 80 Ca -0.07 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1xae s VAL 80 Cb -0.15 -3.40 0.25 0.00 0.00 0.00 0.00 36.38 33.08 1xae s VAL 80 CO 0.05 0.04 1.11 -0.62 0.00 0.00 0.00 175.10 175.68 1xae s ASP 81 N 1.43 7.19 0.28 3.32 -1.08 -1.26 -4.61 116.67 121.94 1xae s ASP 81 Ca 0.69 -3.34 -0.00 0.00 -0.52 0.00 0.00 52.55 49.37 1xae s ASP 81 Cb -0.40 -2.24 0.64 0.00 -1.46 0.00 0.00 42.92 39.46 1xae s ASP 81 CO 0.31 -0.41 1.64 0.22 0.52 0.00 0.00 175.17 177.45 1xae h TYR 82 N 6.95 0.25 0.22 -5.34 3.20 -1.92 0.80 116.97 121.12 1xae h TYR 82 Ca 0.19 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1xae h TYR 82 Cb 0.90 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xae h TYR 82 CO 0.86 -0.22 -0.10 0.74 -1.64 0.00 0.00 178.16 177.80 1xae h PHE 83 N 0.18 -0.27 -0.56 -3.82 -1.00 -1.89 -1.98 116.94 107.60 1xae h PHE 83 Ca 0.52 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 61.19 1xae h PHE 83 Cb 1.02 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.65 1xae h PHE 83 CO -0.31 -0.01 -0.06 0.87 -1.61 0.00 0.00 178.31 177.20 1xae h LYS 84 N -0.51 1.03 -0.11 1.51 1.57 -1.77 0.08 116.57 118.36 1xae h LYS 84 Ca -0.03 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1xae h LYS 84 Cb 0.38 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1xae h LYS 84 CO 0.05 1.05 0.23 -0.91 -0.57 0.00 0.00 179.45 179.29 1xae h ASN 85 N 0.91 0.00 0.06 0.86 2.35 -0.83 0.16 115.58 119.10 1xae h ASN 85 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1xae h ASN 85 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1xae h ASN 85 CO 0.04 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 176.59 1xae h SER 86 N 0.00 0.00 -3.71 5.81 4.64 -0.17 -3.43 113.55 116.69 1xae h SER 86 Ca 0.05 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.84 1xae h SER 86 Cb 0.51 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.67 1xae h SER 86 CO -0.00 0.00 0.74 0.00 -0.87 0.00 0.00 176.83 176.70 1xae n PRO 88 N 1.25 2.25 0.12 0.00 -0.04 -1.26 -4.85 135.00 132.47 1xae n PRO 88 Ca 0.03 -0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1xae n PRO 88 Cb 0.40 -1.17 0.35 0.00 -0.04 0.00 0.00 33.50 33.04 1xae n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xae h ALA 89 N 1.90 1.40 0.00 0.55 0.00 -1.92 -3.39 119.26 117.81 1xae h ALA 89 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xae h ALA 89 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xae h ALA 89 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1xae n GLY 90 N -0.67 -1.81 3.76 0.00 0.00 -0.60 -4.42 105.19 101.46 1xae n GLY 90 Ca -0.01 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 1xae n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xae s TYR 91 N 0.00 0.21 0.12 1.61 -0.85 -1.02 -1.49 117.35 115.93 1xae s TYR 91 Ca 0.00 -0.78 0.05 0.00 -0.52 0.00 0.00 57.07 55.82 1xae s TYR 91 Cb 0.00 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1xae s TYR 91 CO 0.00 -1.43 -0.13 0.95 -1.52 0.00 0.00 175.55 173.43 1xae s THR 92 N -2.77 1.20 -0.02 -3.49 -4.23 0.12 -0.73 115.64 105.71 1xae s THR 92 Ca 0.17 -1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1xae s THR 92 Cb -0.04 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.32 1xae s THR 92 CO 0.12 -0.48 0.17 -1.66 -0.54 0.00 0.00 174.62 172.24 1xae s TRP 93 N -2.29 -0.06 -0.01 3.99 1.48 -0.49 0.11 118.94 121.67 1xae s TRP 93 Ca 0.08 0.12 0.04 0.00 -1.06 0.00 0.00 56.10 55.28 1xae s TRP 93 Cb -0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 33.47 32.27 1xae s TRP 93 CO 0.02 -0.24 -0.13 0.20 -4.06 0.00 0.00 176.95 172.74 1xae s GLY 94 N -0.91 0.65 -0.05 3.67 0.00 -0.89 0.14 107.32 109.92 1xae s GLY 94 Ca -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 1xae s GLY 94 CO 0.01 -0.48 0.13 -1.60 0.00 0.00 0.00 173.10 171.17 1xae s ARG 95 N -0.32 0.13 -0.08 2.90 3.52 0.50 -1.37 118.95 124.23 1xae s ARG 95 Ca 0.05 0.23 -0.10 0.00 -0.13 0.00 0.00 55.73 55.78 1xae s ARG 95 Cb -0.05 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 1xae s ARG 95 CO -0.00 -0.06 0.24 -1.54 -0.81 0.00 0.00 175.30 173.13 1xae s SER 96 N 0.38 6.53 -0.29 -2.12 1.04 0.05 -0.48 113.70 118.82 1xae s SER 96 Ca -0.03 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.05 1xae s SER 96 Cb -0.04 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 64.00 1xae s SER 96 CO -0.02 0.35 -0.04 -0.36 0.98 0.00 0.00 173.24 174.15 1xae s PHE 97 N -0.88 3.30 -0.50 5.02 0.40 0.38 -2.16 117.98 123.54 1xae s PHE 97 Ca 0.18 -2.17 -0.07 0.00 -0.60 0.00 0.00 56.93 54.26 1xae s PHE 97 Cb -0.14 -2.10 0.13 0.00 0.51 0.00 0.00 43.02 41.42 1xae s PHE 97 CO 0.07 -0.85 0.35 -0.51 0.70 0.00 0.00 175.22 174.98 1xae s LEU 98 N 1.16 5.60 0.50 -0.37 1.02 -0.20 -1.34 118.68 125.05 1xae s LEU 98 Ca -0.06 -2.13 -0.18 0.00 0.02 0.00 0.00 54.13 51.78 1xae s LEU 98 Cb -0.20 -1.96 -0.08 0.00 0.02 0.00 0.00 46.19 43.97 1xae s LEU 98 CO -0.03 -0.61 1.00 -0.36 0.02 0.00 0.00 176.35 176.37 1xae s PHE 99 N 1.03 3.23 0.43 0.29 0.40 -0.93 -0.18 117.98 122.26 1xae s PHE 99 Ca 0.09 1.54 0.23 0.00 -0.60 0.00 0.00 56.93 58.18 1xae s PHE 99 Cb -0.24 -2.91 1.30 0.00 0.51 0.00 0.00 43.02 41.69 1xae s PHE 99 CO -0.02 -0.54 2.05 1.05 0.70 0.00 0.00 175.22 178.45 1xae h GLU 100 N 1.22 0.00 -0.26 0.44 4.11 -0.38 -2.78 114.58 116.94 1xae h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1xae h GLU 100 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xae h GLU 100 CO 0.60 0.14 0.00 -0.40 0.07 0.00 0.00 179.01 179.42 1xae n ASP 101 N -3.88 1.42 0.00 3.06 3.85 -1.26 -4.88 116.55 114.86 1xae n ASP 101 Ca -0.02 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1xae n ASP 101 Cb 0.24 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1xae n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xae n GLY 102 N 0.93 1.87 3.77 6.12 0.00 -1.05 -4.73 105.19 112.10 1xae n GLY 102 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1xae n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xae s ALA 103 N -2.50 3.50 -0.06 4.61 0.00 -0.90 -4.75 121.76 121.66 1xae s ALA 103 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1xae s ALA 103 Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 1xae s ALA 103 CO 0.00 -0.94 -0.19 0.08 0.00 0.00 0.00 175.76 174.71 1xae s VAL 104 N -1.15 1.61 0.02 0.00 1.01 0.26 -2.18 120.40 119.98 1xae s VAL 104 Ca 0.53 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1xae s VAL 104 Cb -0.44 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1xae s VAL 104 CO 0.59 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 176.08 1xae s ILE 106 N -0.84 1.02 -0.04 0.00 1.01 0.19 0.14 121.20 122.68 1xae s ILE 106 Ca -0.05 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1xae s ILE 106 Cb -0.07 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1xae s ILE 106 CO 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 174.94 175.15 1xae s ASN 108 N 0.45 2.89 -0.04 0.00 0.01 -0.49 -0.37 114.94 117.38 1xae s ASN 108 Ca -0.08 -0.56 0.06 0.00 -0.71 0.00 0.00 52.86 51.56 1xae s ASN 108 Cb -0.12 -1.32 -0.02 0.00 0.41 0.00 0.00 41.25 40.19 1xae s ASN 108 CO 0.02 -0.01 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.71 1xae s VAL 109 N 1.28 2.62 -0.29 1.60 1.01 0.12 -1.24 120.40 125.51 1xae s VAL 109 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1xae s VAL 109 Cb -0.13 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.34 1xae s VAL 109 CO -0.10 0.59 -0.04 -0.62 0.00 0.00 0.00 175.10 174.93 1xae s ASP 110 N -0.68 4.49 -0.30 3.32 3.68 -0.14 -1.39 116.67 125.66 1xae s ASP 110 Ca 0.11 -1.65 -0.18 0.00 2.13 0.00 0.00 52.55 52.96 1xae s ASP 110 Cb -0.10 -1.53 -0.02 0.00 -1.45 0.00 0.00 42.92 39.83 1xae s ASP 110 CO -0.00 -0.27 0.52 -0.63 0.13 0.00 0.00 175.17 174.92 1xae s ILE 111 N 1.07 5.04 0.14 4.11 -1.09 0.09 -1.95 121.20 128.61 1xae s ILE 111 Ca -0.01 0.65 0.07 0.00 -2.23 0.00 0.00 60.65 59.13 1xae s ILE 111 Cb -0.19 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1xae s ILE 111 CO -0.07 -0.06 -0.17 0.42 -1.23 0.00 0.00 174.94 173.83 1xae s THR 112 N 2.37 1.62 -0.15 2.92 -4.23 -0.70 -2.44 115.64 115.02 1xae s THR 112 Ca 0.20 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1xae s THR 112 Cb -0.15 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 1xae s THR 112 CO 0.11 -0.30 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.04 1xae s VAL 113 N -1.90 2.61 -1.29 2.29 1.01 -1.26 -0.16 120.40 121.71 1xae s VAL 113 Ca 0.11 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1xae s VAL 113 Cb -0.06 -2.09 0.15 0.00 0.00 0.00 0.00 36.38 34.37 1xae s VAL 113 CO 0.05 0.52 1.84 -0.24 0.00 0.00 0.00 175.10 177.26 1xae n SER 114 N 4.02 4.97 0.00 3.32 2.88 0.13 -4.90 113.62 124.05 1xae n SER 114 Ca -0.19 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 1xae n SER 114 Cb 0.52 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1xae n SER 114 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1xae n VAL 115 N 3.84 0.00 0.20 2.46 0.31 -1.26 0.22 118.33 124.10 1xae n VAL 115 Ca 0.41 0.95 0.04 0.00 -0.01 0.00 0.00 64.34 65.73 1xae n VAL 115 Cb 0.38 -1.28 0.45 0.00 -0.91 0.00 0.00 33.84 32.47 1xae n VAL 115 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1xae h LYS 116 N 0.00 0.03 0.00 5.55 1.57 -1.97 -0.77 116.57 120.98 1xae h LYS 116 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1xae h LYS 116 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xae h LYS 116 CO 0.00 0.26 -0.26 0.93 -0.57 0.00 0.00 179.45 179.81 1xae h GLU 117 N 0.03 0.00 -5.25 3.15 5.08 -1.39 -3.46 114.58 112.74 1xae h GLU 117 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.99 1xae h GLU 117 Cb 0.42 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.78 1xae h GLU 117 CO 0.03 0.26 -0.62 0.09 -1.00 0.00 0.00 179.01 177.76 1xae n ASN 118 N -3.32 -6.07 -4.23 1.42 4.13 0.59 -4.93 115.26 102.84 1xae n ASN 118 Ca 0.01 -0.45 -0.31 0.00 1.68 0.00 0.00 54.58 55.50 1xae n ASN 118 Cb 0.50 -4.74 -0.17 0.00 -1.54 0.00 0.00 39.78 33.83 1xae n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xae s ILE 120 N 0.14 4.73 0.15 0.00 1.01 0.48 0.22 121.20 127.92 1xae s ILE 120 Ca -0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 1xae s ILE 120 Cb -0.16 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 1xae s ILE 120 CO 0.06 0.30 0.54 -0.31 0.00 0.00 0.00 174.94 175.53 1xae s TYR 121 N 1.68 3.59 -0.13 3.97 1.51 0.78 -0.15 117.35 128.59 1xae s TYR 121 Ca 0.07 1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 57.14 1xae s TYR 121 Cb -0.15 -2.34 0.03 0.00 -0.11 0.00 0.00 41.96 39.38 1xae s TYR 121 CO 0.07 0.43 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.86 1xae s HIS 122 N -1.48 1.52 -0.26 2.71 3.76 -0.16 -1.73 115.29 119.66 1xae s HIS 122 Ca 0.38 -0.84 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1xae s HIS 122 Cb -0.15 -1.24 0.04 0.00 1.11 0.00 0.00 32.58 32.34 1xae s HIS 122 CO 0.19 -0.55 -0.06 0.21 -0.85 0.00 0.00 174.74 173.68 1xae s LYS 123 N 1.69 2.59 0.16 1.40 2.47 -0.82 -2.38 119.74 124.85 1xae s LYS 123 Ca 0.03 -1.14 0.10 0.00 -1.56 0.00 0.00 55.97 53.41 1xae s LYS 123 Cb -0.14 -2.99 -0.04 0.00 -1.46 0.00 0.00 37.83 33.20 1xae s LYS 123 CO -0.08 -0.49 -0.23 -1.54 0.16 0.00 0.00 175.35 173.17 1xae s SER 124 N 1.25 3.11 -0.17 1.43 1.04 -0.60 -0.96 113.70 118.80 1xae s SER 124 Ca -0.03 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 1xae s SER 124 Cb -0.18 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.77 1xae s SER 124 CO -0.04 0.09 -0.06 -0.63 0.98 0.00 0.00 173.24 173.58 1xae s ILE 125 N -1.51 1.19 -0.16 -1.02 -1.09 -0.37 0.04 121.20 118.28 1xae s ILE 125 Ca 0.16 -0.67 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1xae s ILE 125 Cb -0.08 -1.34 -0.00 0.00 -1.58 0.00 0.00 42.46 39.45 1xae s ILE 125 CO 0.07 0.14 -0.14 0.12 -1.23 0.00 0.00 174.94 173.91 1xae s PHE 126 N 1.60 2.81 -0.20 3.97 5.36 0.41 -1.40 117.98 130.53 1xae s PHE 126 Ca 0.01 -0.98 -0.00 0.00 -0.96 0.00 0.00 56.93 55.00 1xae s PHE 126 Cb -0.15 -1.91 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 1xae s PHE 126 CO -0.08 -0.45 -0.06 -0.80 -1.46 0.00 0.00 175.22 172.38 1xae s ASN 127 N 0.83 3.27 0.02 6.13 0.01 -0.37 -4.25 114.94 120.58 1xae s ASN 127 Ca -0.04 -0.88 0.05 0.00 -0.71 0.00 0.00 52.86 51.27 1xae s ASN 127 Cb -0.15 -1.03 -0.02 0.00 0.41 0.00 0.00 41.25 40.46 1xae s ASN 127 CO -0.00 -0.20 -0.14 -0.83 -1.51 0.00 0.00 177.10 174.42 1xae s GLY 128 N 1.53 0.73 0.30 0.66 0.00 -1.26 -0.64 107.32 108.64 1xae s GLY 128 Ca -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 43.90 1xae s GLY 128 CO -0.07 -0.65 0.52 -3.16 0.00 0.00 0.00 173.10 169.74 1xae s MET 129 N -0.74 1.77 -1.47 2.90 0.23 0.69 0.33 119.30 123.00 1xae s MET 129 Ca 0.03 -1.46 0.00 0.00 -1.03 0.00 0.00 55.69 53.23 1xae s MET 129 Cb -0.07 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1xae s MET 129 CO 0.00 -0.75 0.00 0.09 -2.03 0.00 0.00 175.02 172.33 1xae n ASN 130 N -0.89 -4.92 -4.50 -1.18 3.02 -1.26 0.93 115.26 106.46 1xae n ASN 130 Ca -0.02 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 1xae n ASN 130 Cb 0.61 -4.00 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 1xae n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xae s PHE 131 N -2.79 2.54 0.06 3.10 0.40 -1.26 -2.11 117.98 117.92 1xae s PHE 131 Ca 0.00 -0.27 -0.38 0.00 -0.60 0.00 0.00 56.93 55.68 1xae s PHE 131 Cb 0.00 -4.40 -0.18 0.00 0.51 0.00 0.00 43.02 38.95 1xae s PHE 131 CO 0.00 -1.77 1.19 -2.30 0.70 0.00 0.00 175.22 173.03 1xae n PRO 132 N 8.33 0.61 0.30 0.24 -0.02 -1.26 -4.81 135.00 138.38 1xae n PRO 132 Ca -0.00 0.22 0.20 0.00 -2.02 0.00 0.00 63.50 61.90 1xae n PRO 132 Cb 0.47 -1.77 1.05 0.00 -0.02 0.00 0.00 33.50 33.23 1xae n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xae h ALA 133 N 3.69 1.01 -0.00 3.55 0.00 -1.97 0.32 119.26 125.86 1xae h ALA 133 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xae h ALA 133 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xae h ALA 133 CO 0.71 -0.01 -0.69 -0.40 0.00 0.00 0.00 179.25 178.86 1xae n ASP 134 N -2.86 1.00 -4.46 0.00 3.85 -1.26 -4.36 116.55 108.46 1xae n ASP 134 Ca -0.03 -1.00 -0.28 0.00 -0.71 0.00 0.00 54.79 52.77 1xae n ASP 134 Cb 0.07 0.88 0.26 0.00 -1.35 0.00 0.00 41.12 40.98 1xae n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xae n GLY 135 N 1.35 -2.06 0.20 6.12 0.00 0.11 -4.63 105.19 106.28 1xae n GLY 135 Ca 0.04 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.92 1xae n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xae h PRO 136 N -2.72 0.00 0.19 1.61 0.13 -1.92 0.37 132.00 129.67 1xae h PRO 136 Ca -0.62 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.50 1xae h PRO 136 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1xae h PRO 136 CO 0.49 0.32 -0.09 0.28 -0.23 0.00 0.00 178.00 178.77 1xae h VAL 137 N 0.00 0.86 -0.29 1.56 2.07 -1.90 3.33 116.25 121.89 1xae h VAL 137 Ca -0.00 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 1xae h VAL 137 Cb 0.59 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1xae h VAL 137 CO 0.04 0.19 -0.28 0.24 0.02 0.00 0.00 177.57 177.78 1xae h MET 138 N -0.77 0.58 -0.10 1.57 2.86 -1.69 0.23 114.93 117.61 1xae h MET 138 Ca -0.03 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1xae h MET 138 Cb 0.51 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1xae h MET 138 CO 0.04 0.80 0.00 1.63 1.06 0.00 0.00 176.91 180.45 1xae n LYS 139 N -4.09 1.57 -4.02 1.72 4.76 0.13 -4.72 118.16 113.52 1xae n LYS 139 Ca -0.01 -0.86 -0.30 0.00 -2.87 0.00 0.00 58.31 54.28 1xae n LYS 139 Cb 0.44 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 1xae n LYS 139 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xae n LYS 140 N 0.06 -2.09 -0.25 1.97 5.02 0.37 -4.85 118.16 118.39 1xae n LYS 140 Ca 0.17 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 1xae n LYS 140 Cb 0.29 -4.01 0.26 0.00 -0.02 0.00 0.00 35.03 31.55 1xae n LYS 140 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xae n MET 141 N -4.49 2.50 -2.07 1.97 2.81 1.02 -4.97 117.12 113.88 1xae n MET 141 Ca -0.26 -2.29 -0.28 0.00 -1.81 0.00 0.00 57.70 53.05 1xae n MET 141 Cb 0.66 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.72 1xae n MET 141 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xae s THR 142 N -1.34 2.69 0.00 2.03 -4.23 -1.24 0.10 115.64 113.65 1xae s THR 142 Ca 0.42 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1xae s THR 142 Cb 0.23 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1xae s THR 142 CO 0.31 -0.22 0.00 0.35 -0.54 0.00 0.00 174.62 174.53 1xae n THR 143 N -3.00 0.00 -3.52 3.99 -2.24 0.14 -4.59 114.28 105.06 1xae n THR 143 Ca 0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1xae n THR 143 Cb 0.59 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1xae n THR 143 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xae s ASN 144 N -5.00 -0.36 0.47 3.42 0.01 -1.17 -4.74 114.94 107.57 1xae s ASN 144 Ca 0.00 0.08 -0.16 0.00 -0.71 0.00 0.00 52.86 52.07 1xae s ASN 144 Cb 0.00 0.36 -0.08 0.00 0.41 0.00 0.00 41.25 41.93 1xae s ASN 144 CO 0.00 -0.55 0.93 0.26 -1.51 0.00 0.00 177.10 176.23 1xae s TRP 145 N -2.69 3.42 0.43 2.20 0.52 -1.26 -0.09 118.94 121.47 1xae s TRP 145 Ca 0.04 1.41 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 1xae s TRP 145 Cb -0.01 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1xae s TRP 145 CO -0.07 -0.24 0.71 -2.00 0.02 0.00 0.00 176.95 175.38 1xae s GLU 146 N -3.77 3.55 0.58 4.98 2.12 0.11 -4.80 118.70 121.46 1xae s GLU 146 Ca 0.58 0.07 -0.20 0.00 0.36 0.00 0.00 54.97 55.78 1xae s GLU 146 Cb -0.10 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1xae s GLU 146 CO 0.26 -0.08 1.32 0.00 -0.54 0.00 0.00 175.26 176.22 1xae s ALA 147 N -2.57 2.67 0.23 6.30 0.00 -1.26 -4.72 121.76 122.40 1xae s ALA 147 Ca 0.46 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 1xae s ALA 147 Cb -0.10 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1xae s ALA 147 CO 0.41 -1.39 0.18 -1.54 0.00 0.00 0.00 175.76 173.42 1xae s SER 148 N -1.15 0.38 -0.21 0.00 1.04 -1.00 -4.95 113.70 107.81 1xae s SER 148 Ca 0.75 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 1xae s SER 148 Cb -0.38 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.23 1xae s SER 148 CO 0.44 -0.90 0.02 0.00 0.98 0.00 0.00 173.24 173.77 1xae s GLU 150 N 1.75 3.63 -0.21 0.00 2.12 0.19 -4.72 118.70 121.47 1xae s GLU 150 Ca -0.01 -0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.12 1xae s GLU 150 Cb -0.17 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1xae s GLU 150 CO -0.09 0.70 0.53 0.21 -0.54 0.00 0.00 175.26 176.07 1xae s LYS 151 N -0.87 4.18 -0.20 4.30 2.20 0.59 -0.18 119.74 129.77 1xae s LYS 151 Ca 0.16 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.17 1xae s LYS 151 Cb -0.13 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1xae s LYS 151 CO 0.06 -0.18 -0.07 0.42 -0.36 0.00 0.00 175.35 175.22 1xae s ILE 152 N 1.74 3.30 0.01 5.43 -1.09 -0.37 -0.32 121.20 129.90 1xae s ILE 152 Ca 0.24 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1xae s ILE 152 Cb -0.15 -2.47 -0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1xae s ILE 152 CO 0.10 0.45 -0.04 0.00 -1.23 0.00 0.00 174.94 174.22 1xae s MET 153 N 1.16 0.30 0.48 2.79 0.23 -0.19 0.20 119.30 124.26 1xae s MET 153 Ca 0.02 -0.39 -0.19 0.00 -1.03 0.00 0.00 55.69 54.09 1xae s MET 153 Cb -0.14 -0.12 -0.09 0.00 -1.53 0.00 0.00 34.83 32.95 1xae s MET 153 CO -0.02 0.02 1.00 -1.25 -2.03 0.00 0.00 175.02 172.74 1xae s PRO 154 N -0.81 3.94 -0.36 3.16 0.04 -1.26 -0.14 135.00 139.57 1xae s PRO 154 Ca -0.07 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1xae s PRO 154 Cb -0.06 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1xae s PRO 154 CO -0.00 -0.29 0.16 0.08 0.04 0.00 0.00 177.00 176.98 1xae s VAL 155 N -2.22 4.15 -0.17 -0.36 1.01 -0.68 -4.89 120.40 117.25 1xae s VAL 155 Ca 0.63 -1.03 -0.36 0.00 0.00 0.00 0.00 61.98 61.22 1xae s VAL 155 Cb -0.12 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 1xae s VAL 155 CO 0.21 -0.23 1.86 -0.81 0.00 0.00 0.00 175.10 176.14 1xae n PRO 156 N 4.90 1.81 -2.94 2.72 -0.04 -1.26 -1.56 135.00 138.63 1xae n PRO 156 Ca -0.12 0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1xae n PRO 156 Cb 0.45 -2.47 0.04 0.00 -0.04 0.00 0.00 33.50 31.47 1xae n PRO 156 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xae n LYS 157 N 6.37 -3.82 0.00 0.54 4.01 -1.26 -4.89 118.16 119.11 1xae n LYS 157 Ca 0.25 0.49 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1xae n LYS 157 Cb 0.24 -4.49 0.00 0.00 -0.51 0.00 0.00 35.03 30.27 1xae n LYS 157 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1xae n GLN 158 N -2.88 0.38 -1.05 1.97 7.27 -0.60 -5.02 117.38 117.45 1xae n GLN 158 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.03 1xae n GLN 158 Cb 0.55 -0.53 -0.01 0.00 2.41 0.00 0.00 30.24 32.66 1xae n GLN 158 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xae n GLY 159 N 0.62 0.53 3.48 1.69 0.00 -1.23 -5.03 105.19 105.25 1xae n GLY 159 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1xae n GLY 159 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xae s ILE 160 N -2.03 1.90 0.28 -0.61 -5.25 -1.26 -4.39 121.20 109.83 1xae s ILE 160 Ca 0.00 -2.16 0.09 0.00 -0.99 0.00 0.00 60.65 57.59 1xae s ILE 160 Cb 0.00 -2.53 -0.04 0.00 2.95 0.00 0.00 42.46 42.84 1xae s ILE 160 CO 0.00 -0.26 0.06 -0.76 -1.79 0.00 0.00 174.94 172.19 1xae s LEU 161 N -3.51 3.30 -0.09 0.37 1.02 -0.36 -1.69 118.68 117.72 1xae s LEU 161 Ca 0.31 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1xae s LEU 161 Cb 0.03 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.45 1xae s LEU 161 CO 0.14 -0.07 -0.07 -0.54 0.02 0.00 0.00 176.35 175.84 1xae s LYS 162 N -3.73 1.32 -0.16 1.70 -0.14 0.81 -1.55 119.74 117.98 1xae s LYS 162 Ca 0.33 -0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 54.68 1xae s LYS 162 Cb -0.06 -1.37 -0.03 0.00 -1.68 0.00 0.00 37.83 34.69 1xae s LYS 162 CO 0.21 -0.20 0.01 0.20 -0.76 0.00 0.00 175.35 174.81 1xae s GLY 163 N 1.49 1.82 -0.15 -3.33 0.00 -0.53 -1.03 107.32 105.60 1xae s GLY 163 Ca -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 1xae s GLY 163 CO -0.05 -0.05 -0.09 -0.35 0.00 0.00 0.00 173.10 172.57 1xae s ASP 164 N 0.26 2.63 -0.12 1.64 3.68 0.56 -0.54 116.67 124.79 1xae s ASP 164 Ca 0.01 -0.52 -0.08 0.00 2.13 0.00 0.00 52.55 54.08 1xae s ASP 164 Cb -0.13 -0.98 0.04 0.00 -1.45 0.00 0.00 42.92 40.40 1xae s ASP 164 CO 0.02 -0.13 0.29 0.54 0.13 0.00 0.00 175.17 176.01 1xae s VAL 165 N 1.60 -0.02 -0.41 1.11 0.11 -0.57 -0.30 120.40 121.93 1xae s VAL 165 Ca 0.03 0.07 -0.16 0.00 -2.93 0.00 0.00 61.98 59.00 1xae s VAL 165 Cb -0.14 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1xae s VAL 165 CO -0.09 0.03 0.35 -0.55 -3.33 0.00 0.00 175.10 171.52 1xae s SER 166 N 0.78 6.14 0.20 3.54 0.15 -1.26 -0.17 113.70 123.08 1xae s SER 166 Ca -0.05 -0.77 -0.09 0.00 0.70 0.00 0.00 55.95 55.74 1xae s SER 166 Cb -0.06 -2.18 -0.07 0.00 -1.71 0.00 0.00 66.02 62.00 1xae s SER 166 CO -0.05 -0.49 0.50 -0.04 1.20 0.00 0.00 173.24 174.36 1xae s MET 167 N 1.87 3.76 -0.11 5.44 -1.94 0.21 -4.89 119.30 123.64 1xae s MET 167 Ca 0.08 0.19 -0.01 0.00 -1.71 0.00 0.00 55.69 54.25 1xae s MET 167 Cb -0.18 -2.72 0.03 0.00 2.01 0.00 0.00 34.83 33.96 1xae s MET 167 CO 0.11 0.37 -0.05 0.71 -0.01 0.00 0.00 175.02 176.15 1xae s TYR 168 N -1.74 1.28 -0.34 -0.03 1.51 -1.26 -0.45 117.35 116.32 1xae s TYR 168 Ca 0.45 -0.61 -0.13 0.00 -1.01 0.00 0.00 57.07 55.77 1xae s TYR 168 Cb -0.12 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1xae s TYR 168 CO 0.22 -0.47 0.23 -1.17 -1.11 0.00 0.00 175.55 173.25 1xae s LEU 169 N 1.78 4.51 0.07 -1.29 2.96 0.28 0.04 118.68 127.03 1xae s LEU 169 Ca 0.05 -0.48 -0.31 0.00 -0.22 0.00 0.00 54.13 53.17 1xae s LEU 169 Cb -0.13 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1xae s LEU 169 CO -0.07 -0.25 1.21 -0.76 -1.32 0.00 0.00 176.35 175.15 1xae s LEU 170 N 1.70 4.37 0.31 -0.68 1.43 0.88 0.81 118.68 127.49 1xae s LEU 170 Ca 0.06 2.03 0.06 0.00 -1.03 0.00 0.00 54.13 55.25 1xae s LEU 170 Cb -0.17 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1xae s LEU 170 CO 0.10 -0.48 0.41 -0.76 0.23 0.00 0.00 176.35 175.85 1xae s LEU 171 N 1.04 4.01 0.24 1.79 1.43 0.20 0.28 118.68 127.67 1xae s LEU 171 Ca 0.59 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1xae s LEU 171 Cb -0.30 -2.69 0.26 0.00 0.03 0.00 0.00 46.19 43.49 1xae s LEU 171 CO 0.29 -0.31 1.80 0.11 0.23 0.00 0.00 176.35 178.48 1xae h LYS 172 N 1.04 1.06 0.00 1.70 1.57 -0.59 -1.61 116.57 119.75 1xae h LYS 172 Ca -0.47 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1xae h LYS 172 Cb 1.25 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1xae h LYS 172 CO 0.56 0.88 0.00 0.38 -0.57 0.00 0.00 179.45 180.70 1xae h ASP 173 N 1.04 0.00 0.00 0.86 3.04 -1.96 -3.45 116.42 115.95 1xae h ASP 173 Ca 0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.03 1xae h ASP 173 Cb 0.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 1xae h ASP 173 CO -0.02 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.79 1xae n GLY 174 N -1.11 1.50 3.79 7.15 0.00 -0.60 -5.09 105.19 110.83 1xae n GLY 174 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1xae n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xae s GLY 175 N -2.24 1.59 0.17 -0.02 0.00 -1.26 -4.68 107.32 100.90 1xae s GLY 175 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1xae s GLY 175 CO 0.00 0.11 0.28 0.50 0.00 0.00 0.00 173.10 173.99 1xae s ARG 176 N -5.23 3.38 -0.18 2.90 0.52 -1.26 0.58 118.95 119.66 1xae s ARG 176 Ca 0.63 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 55.14 1xae s ARG 176 Cb -0.15 -2.91 0.06 0.00 0.52 0.00 0.00 34.95 32.47 1xae s ARG 176 CO 0.54 0.50 0.03 -0.47 0.02 0.00 0.00 175.30 175.92 1xae s TYR 177 N -1.80 0.98 0.27 -0.53 5.04 0.24 -4.88 117.35 116.67 1xae s TYR 177 Ca 0.34 -0.78 -0.29 0.00 -2.44 0.00 0.00 57.07 53.90 1xae s TYR 177 Cb -0.10 -1.00 -0.09 0.00 0.35 0.00 0.00 41.96 41.11 1xae s TYR 177 CO 0.28 -0.58 0.99 0.50 -1.34 0.00 0.00 175.55 175.39 1xae s ARG 178 N 1.87 4.72 -0.13 4.97 3.52 -1.26 0.10 118.95 132.75 1xae s ARG 178 Ca -0.00 1.55 -0.06 0.00 -0.13 0.00 0.00 55.73 57.08 1xae s ARG 178 Cb -0.17 -3.14 0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1xae s ARG 178 CO -0.08 0.37 0.30 0.00 -0.81 0.00 0.00 175.30 175.08 1xae s GLN 180 N 1.51 3.93 -0.25 0.00 2.00 0.75 0.66 119.66 128.26 1xae s GLN 180 Ca -0.08 -0.01 -0.13 0.00 -2.00 0.00 0.00 55.36 53.15 1xae s GLN 180 Cb -0.10 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 1xae s GLN 180 CO -0.10 -0.35 0.28 -0.06 -0.50 0.00 0.00 175.29 174.56 1xae s PHE 181 N 2.12 3.28 -0.21 1.67 0.40 0.76 -1.03 117.98 124.96 1xae s PHE 181 Ca 0.15 0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.80 1xae s PHE 181 Cb -0.16 -2.44 0.06 0.00 0.51 0.00 0.00 43.02 40.99 1xae s PHE 181 CO 0.10 -0.11 -0.04 -0.51 0.70 0.00 0.00 175.22 175.37 1xae s ASP 182 N 1.44 3.49 0.25 1.36 1.11 -0.92 -1.51 116.67 121.90 1xae s ASP 182 Ca 0.12 -1.02 0.10 0.00 0.18 0.00 0.00 52.55 51.93 1xae s ASP 182 Cb -0.15 -1.03 -0.04 0.00 1.07 0.00 0.00 42.92 42.77 1xae s ASP 182 CO 0.09 -0.24 -0.07 -0.89 1.18 0.00 0.00 175.17 175.24 1xae s THR 183 N 1.52 3.17 -0.09 -1.27 2.01 0.30 -0.77 115.64 120.51 1xae s THR 183 Ca -0.04 -1.96 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1xae s THR 183 Cb -0.18 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.70 1xae s THR 183 CO -0.07 -0.31 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.84 1xae s VAL 184 N -2.21 0.58 -0.28 3.82 1.01 -0.47 -1.45 120.40 121.41 1xae s VAL 184 Ca 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1xae s VAL 184 Cb -0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1xae s VAL 184 CO 0.18 0.27 0.06 -0.31 0.00 0.00 0.00 175.10 175.30 1xae s TYR 185 N 1.89 3.11 -0.23 5.22 1.51 -0.60 -2.10 117.35 126.14 1xae s TYR 185 Ca 0.05 -0.85 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1xae s TYR 185 Cb -0.13 -2.23 0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1xae s TYR 185 CO -0.06 -0.52 -0.12 0.21 -1.11 0.00 0.00 175.55 173.95 1xae s LYS 186 N 1.52 2.66 0.38 -0.62 2.20 0.12 -1.22 119.74 124.78 1xae s LYS 186 Ca 0.04 -1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 54.31 1xae s LYS 186 Cb -0.16 -2.84 -0.09 0.00 -1.51 0.00 0.00 37.83 33.23 1xae s LYS 186 CO 0.02 -0.41 1.20 0.00 -0.36 0.00 0.00 175.35 175.80 1xae s ALA 187 N 1.23 3.24 0.28 3.13 0.00 -1.26 0.12 121.76 128.49 1xae s ALA 187 Ca -0.02 1.04 0.37 0.00 0.00 0.00 0.00 51.96 53.35 1xae s ALA 187 Cb -0.17 -3.40 1.70 0.00 0.00 0.00 0.00 23.12 21.25 1xae s ALA 187 CO -0.07 -0.55 2.11 0.87 0.00 0.00 0.00 175.76 178.11 1xae h LYS 188 N 2.85 0.00 -4.74 0.00 1.57 -1.58 -3.44 116.57 111.23 1xae h LYS 188 Ca -0.49 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 1xae h LYS 188 Cb 1.23 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.33 1xae h LYS 188 CO 0.63 0.00 -0.75 -1.12 -0.57 0.00 0.00 179.45 177.65 1xae s SER 189 N -5.53 1.04 -0.03 0.86 0.01 -1.26 -5.05 113.70 103.73 1xae s SER 189 Ca -0.01 -0.54 -0.36 0.00 1.31 0.00 0.00 55.95 56.36 1xae s SER 189 Cb 0.10 0.01 -0.14 0.00 0.21 0.00 0.00 66.02 66.20 1xae s SER 189 CO 0.50 -0.16 1.66 1.33 0.41 0.00 0.00 173.24 176.98 1xae n VAL 190 N 1.52 0.25 -2.78 3.43 0.24 -1.26 -4.90 118.33 114.82 1xae n VAL 190 Ca -0.22 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1xae n VAL 190 Cb 0.55 -1.41 -0.03 0.00 -1.47 0.00 0.00 33.84 31.47 1xae n VAL 190 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1xae s PRO 191 N 2.39 4.46 -0.03 7.34 0.05 -1.26 -4.96 135.00 142.99 1xae s PRO 191 Ca 0.89 1.27 -0.25 0.00 0.05 0.00 0.00 61.00 62.95 1xae s PRO 191 Cb -0.83 -3.50 -0.20 0.00 0.05 0.00 0.00 34.50 30.02 1xae s PRO 191 CO 0.50 -0.15 1.20 0.66 0.05 0.00 0.00 177.00 179.26 1xae h SER 192 N 6.96 -0.06 -3.62 6.66 4.64 -1.98 -3.44 113.55 122.70 1xae h SER 192 Ca -0.36 -0.46 -0.68 0.00 -0.47 0.00 0.00 61.79 59.82 1xae h SER 192 Cb 1.18 0.01 -0.18 0.00 -0.31 0.00 0.00 62.40 63.11 1xae h SER 192 CO 0.79 0.44 -0.69 -0.54 -0.87 0.00 0.00 176.83 175.96 1xae s LYS 193 N -4.12 2.68 0.06 4.77 -0.14 -1.26 -5.12 119.74 116.61 1xae s LYS 193 Ca -0.15 -0.61 0.07 0.00 -1.36 0.00 0.00 55.97 53.91 1xae s LYS 193 Cb 0.01 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 1xae s LYS 193 CO 0.64 0.64 -0.16 -1.64 -0.76 0.00 0.00 175.35 174.06 1xae s MET 194 N -1.08 2.06 0.78 1.68 -1.94 -1.26 -4.91 119.30 114.63 1xae s MET 194 Ca 0.15 -1.00 -0.09 0.00 -1.71 0.00 0.00 55.69 53.03 1xae s MET 194 Cb -0.11 -2.21 0.09 0.00 2.01 0.00 0.00 34.83 34.61 1xae s MET 194 CO 0.04 0.53 1.11 -2.14 -0.01 0.00 0.00 175.02 174.55 1xae s PRO 195 N -1.64 1.87 0.08 2.03 0.01 -1.26 -4.85 135.00 131.23 1xae s PRO 195 Ca 0.16 -0.21 0.02 0.00 0.01 0.00 0.00 61.00 60.98 1xae s PRO 195 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 34.50 32.30 1xae s PRO 195 CO 0.07 -1.53 0.12 -1.21 0.01 0.00 0.00 177.00 174.46 1xae s GLU 196 N -5.44 3.03 0.14 5.54 2.02 -1.26 -4.55 118.70 118.18 1xae s GLU 196 Ca 0.63 -0.64 -0.33 0.00 0.02 0.00 0.00 54.97 54.65 1xae s GLU 196 Cb -0.10 -2.80 -0.17 0.00 0.10 0.00 0.00 34.13 31.17 1xae s GLU 196 CO 0.47 0.57 0.99 -2.67 0.02 0.00 0.00 175.26 174.64 1xae n TRP 197 N 0.34 0.72 -2.73 1.61 4.27 -1.26 -4.85 117.44 115.54 1xae n TRP 197 Ca -0.08 0.84 0.00 0.00 -3.89 0.00 0.00 57.50 54.37 1xae n TRP 197 Cb 0.52 -2.16 0.00 0.00 -1.36 0.00 0.00 31.31 28.31 1xae n TRP 197 CO 0.00 0.00 0.00 -2.39 -2.29 0.00 0.00 177.69 173.01 1xae n HIS 198 N 1.11 -0.03 -4.13 -2.67 1.44 0.13 -4.85 115.22 106.23 1xae n HIS 198 Ca 0.17 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.73 1xae n HIS 198 Cb 0.21 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.20 1xae n HIS 198 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xae s PHE 199 N -1.93 0.95 -0.17 -1.40 0.40 0.63 -1.24 117.98 115.22 1xae s PHE 199 Ca 0.00 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1xae s PHE 199 Cb 0.00 -0.54 0.05 0.00 0.51 0.00 0.00 43.02 43.04 1xae s PHE 199 CO 0.00 -0.02 -0.00 0.42 0.70 0.00 0.00 175.22 176.32 1xae s ILE 200 N -1.61 0.74 0.04 0.64 1.01 0.75 -0.11 121.20 122.67 1xae s ILE 200 Ca -0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 1xae s ILE 200 Cb -0.08 -1.09 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 1xae s ILE 200 CO 0.01 -0.04 0.66 -1.10 0.00 0.00 0.00 174.94 174.47 1xae s GLN 201 N 1.78 4.37 0.13 2.79 -0.21 -0.99 0.57 119.66 128.10 1xae s GLN 201 Ca -0.00 0.88 0.03 0.00 0.02 0.00 0.00 55.36 56.29 1xae s GLN 201 Cb -0.16 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 1xae s GLN 201 CO -0.07 0.42 -0.08 -1.01 -2.12 0.00 0.00 175.29 172.42 1xae s HIS 202 N -0.45 1.15 -0.19 0.91 3.76 -0.17 -2.50 115.29 117.79 1xae s HIS 202 Ca 0.33 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 54.38 1xae s HIS 202 Cb -0.20 -0.61 0.08 0.00 1.11 0.00 0.00 32.58 32.96 1xae s HIS 202 CO 0.20 -0.01 0.16 0.21 -0.85 0.00 0.00 174.74 174.45 1xae s LYS 203 N -3.78 0.13 -0.15 1.40 2.20 -0.40 -2.38 119.74 116.76 1xae s LYS 203 Ca 0.16 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1xae s LYS 203 Cb 0.04 -1.49 0.02 0.00 -1.51 0.00 0.00 37.83 34.88 1xae s LYS 203 CO -0.01 -0.69 -0.19 -1.17 -0.36 0.00 0.00 175.35 172.93 1xae s LEU 204 N 2.23 1.98 0.09 5.43 2.96 -1.26 -1.05 118.68 129.06 1xae s LEU 204 Ca 0.05 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 1xae s LEU 204 Cb -0.16 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1xae s LEU 204 CO -0.12 0.01 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.96 1xae s LEU 205 N 1.17 2.28 -0.06 -0.68 1.43 -0.05 -4.20 118.68 118.58 1xae s LEU 205 Ca 0.00 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 1xae s LEU 205 Cb -0.14 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1xae s LEU 205 CO -0.08 0.04 -0.24 -0.60 0.23 0.00 0.00 176.35 175.70 1xae s ARG 206 N -1.79 2.60 -0.29 1.70 3.52 -1.26 -1.81 118.95 121.63 1xae s ARG 206 Ca 0.05 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 1xae s ARG 206 Cb -0.10 -2.19 0.09 0.00 -1.56 0.00 0.00 34.95 31.20 1xae s ARG 206 CO 0.04 0.37 0.08 -2.00 -0.81 0.00 0.00 175.30 172.98 1xae s GLU 207 N -0.14 0.71 0.98 5.12 2.12 -0.72 -4.98 118.70 121.80 1xae s GLU 207 Ca -0.04 -0.93 -0.15 0.00 0.36 0.00 0.00 54.97 54.21 1xae s GLU 207 Cb -0.14 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 1xae s GLU 207 CO 0.04 -0.91 -0.05 -3.47 -0.54 0.00 0.00 175.26 170.33 1xae n ASP 208 N 4.90 -3.39 -0.35 -1.70 -0.08 -1.26 -0.91 116.55 113.76 1xae n ASP 208 Ca -0.04 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1xae n ASP 208 Cb 0.43 -1.03 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1xae n ASP 208 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xae n ARG 209 N -0.28 0.00 -1.70 -0.67 3.00 0.40 -4.66 116.66 112.74 1xae n ARG 209 Ca 0.03 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.44 1xae n ARG 209 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.00 1xae n ARG 209 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1xae n SER 210 N 0.00 3.01 0.00 0.55 7.64 0.28 -4.33 113.62 120.77 1xae n SER 210 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1xae n SER 210 Cb 0.50 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1xae n SER 210 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xae n ASP 211 N 1.31 0.00 0.00 6.43 8.00 0.13 -4.86 116.55 127.55 1xae n ASP 211 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1xae n ASP 211 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1xae n ASP 211 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xae n ALA 212 N -3.00 0.06 0.13 2.24 0.00 -1.26 -4.67 120.51 114.00 1xae n ALA 212 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1xae n ALA 212 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1xae n ALA 212 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xae n LYS 213 N 0.00 1.47 -3.64 0.00 2.85 -1.26 -5.02 118.16 112.56 1xae n LYS 213 Ca 0.00 -0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.10 1xae n LYS 213 Cb 0.27 -1.12 -0.07 0.00 -0.65 0.00 0.00 35.03 33.46 1xae n LYS 213 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1xae s ASN 214 N -2.66 -0.73 -0.48 -5.58 0.01 -1.26 -5.12 114.94 99.13 1xae s ASN 214 Ca -0.01 1.30 -0.25 0.00 -0.71 0.00 0.00 52.86 53.19 1xae s ASN 214 Cb 0.06 1.31 0.03 0.00 0.41 0.00 0.00 41.25 43.06 1xae s ASN 214 CO 0.37 -0.22 0.93 -1.58 -1.51 0.00 0.00 177.10 175.09 1xae s GLN 215 N 0.82 3.50 0.06 -0.60 0.74 -1.26 0.17 119.66 123.08 1xae s GLN 215 Ca -0.03 0.09 -0.07 0.00 0.05 0.00 0.00 55.36 55.39 1xae s GLN 215 Cb -0.05 -3.95 -0.01 0.00 1.10 0.00 0.00 33.01 30.11 1xae s GLN 215 CO -0.08 -1.27 0.15 -1.59 -0.55 0.00 0.00 175.29 171.95 1xae s LYS 216 N 3.79 0.71 0.17 1.67 -2.85 -1.26 -1.46 119.74 120.51 1xae s LYS 216 Ca 0.36 -0.83 -0.20 0.00 -1.00 0.00 0.00 55.97 54.30 1xae s LYS 216 Cb -0.10 0.28 0.05 0.00 -2.06 0.00 0.00 37.83 36.00 1xae s LYS 216 CO 0.25 -0.20 0.55 1.67 0.10 0.00 0.00 175.35 177.72 1xae s TRP 217 N -3.14 -0.33 -0.09 1.78 -2.14 -1.13 0.15 118.94 114.04 1xae s TRP 217 Ca -0.01 0.05 0.03 0.00 2.66 0.00 0.00 56.10 58.83 1xae s TRP 217 Cb 0.02 0.47 -0.01 0.00 -3.10 0.00 0.00 33.47 30.84 1xae s TRP 217 CO -0.07 -0.87 -0.18 1.14 -2.66 0.00 0.00 176.95 174.31 1xae s GLN 218 N -3.81 2.91 0.27 3.25 -2.07 -0.08 -1.47 119.66 118.66 1xae s GLN 218 Ca 0.04 -0.78 0.06 0.00 -1.82 0.00 0.00 55.36 52.87 1xae s GLN 218 Cb -0.01 -2.40 -0.03 0.00 -1.09 0.00 0.00 33.01 29.49 1xae s GLN 218 CO -0.09 0.35 0.36 -0.51 -1.32 0.00 0.00 175.29 174.08 1xae s LEU 219 N -0.04 4.10 -0.25 2.60 1.43 0.17 -1.75 118.68 124.94 1xae s LEU 219 Ca -0.05 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 1xae s LEU 219 Cb -0.14 -2.71 0.08 0.00 0.03 0.00 0.00 46.19 43.45 1xae s LEU 219 CO 0.04 -0.18 0.60 -0.89 0.23 0.00 0.00 176.35 176.15 1xae s THR 220 N -2.08 -0.15 0.01 5.49 2.01 -0.75 -1.20 115.64 118.98 1xae s THR 220 Ca 0.37 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1xae s THR 220 Cb -0.09 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1xae s THR 220 CO 0.29 0.01 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.49 1xae s GLU 221 N 1.77 0.30 -0.06 4.92 2.12 -0.03 -0.87 118.70 126.86 1xae s GLU 221 Ca -0.09 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1xae s GLU 221 Cb -0.07 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.19 1xae s GLU 221 CO -0.18 0.03 -0.11 -1.58 -0.54 0.00 0.00 175.26 172.88 1xae s HIS 222 N -0.69 1.32 -0.12 5.30 5.65 -0.21 -1.53 115.29 124.99 1xae s HIS 222 Ca -0.06 -0.46 -0.09 0.00 0.25 0.00 0.00 55.06 54.70 1xae s HIS 222 Cb -0.05 -0.98 0.04 0.00 -1.18 0.00 0.00 32.58 30.40 1xae s HIS 222 CO -0.00 -0.25 0.32 0.00 -0.65 0.00 0.00 174.74 174.16 1xae s ALA 223 N 0.66 -0.78 -0.06 1.58 0.00 0.12 -1.27 121.76 122.01 1xae s ALA 223 Ca -0.13 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1xae s ALA 223 Cb -0.15 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1xae s ALA 223 CO 0.03 -0.18 -0.13 0.42 0.00 0.00 0.00 175.76 175.90 1xae s ILE 224 N 0.60 1.20 0.32 0.00 1.09 -1.04 -0.69 121.20 122.68 1xae s ILE 224 Ca -0.04 -0.54 -0.27 0.00 -1.10 0.00 0.00 60.65 58.71 1xae s ILE 224 Cb -0.05 -1.08 -0.10 0.00 -1.06 0.00 0.00 42.46 40.18 1xae s ILE 224 CO -0.04 0.36 0.98 0.00 -0.10 0.00 0.00 174.94 176.14 1xae s ALA 225 N 0.47 3.23 0.12 9.38 0.00 0.17 -2.36 121.76 132.78 1xae s ALA 225 Ca -0.11 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1xae s ALA 225 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1xae s ALA 225 CO 0.03 0.09 0.23 -0.06 0.00 0.00 0.00 175.76 176.05 1xae s PHE 226 N -1.51 0.29 0.34 0.00 0.40 0.84 -4.53 117.98 113.81 1xae s PHE 226 Ca 0.49 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 1xae s PHE 226 Cb -0.22 -0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.21 1xae s PHE 226 CO 0.27 -0.62 0.27 -1.25 0.70 0.00 0.00 175.22 174.59 1xae s PRO 227 N -3.92 2.67 0.09 0.24 0.04 -1.26 -0.27 135.00 132.59 1xae s PRO 227 Ca 0.11 -1.34 -0.31 0.00 0.04 0.00 0.00 61.00 59.51 1xae s PRO 227 Cb 0.04 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1xae s PRO 227 CO -0.05 0.09 1.89 0.45 0.04 0.00 0.00 177.00 179.41 1xae s SER 228 N -3.98 6.43 -0.94 6.66 0.15 -1.26 -4.80 113.70 115.96 1xae s SER 228 Ca 0.41 2.74 -0.09 0.00 0.70 0.00 0.00 55.95 59.70 1xae s SER 228 Cb -0.05 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 1xae s SER 228 CO 0.26 -1.03 2.11 0.00 1.20 0.00 0.00 173.24 175.79 1xae n ALA 229 N 6.38 4.58 -1.88 5.45 0.00 -1.26 -5.19 120.51 128.59 1xae n ALA 229 Ca 0.19 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.24 1xae n ALA 229 Cb 0.39 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1xae n ALA 229 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97