#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3a s LYS 2 N 0.00 2.49 -0.20 0.03 2.20 -1.26 -4.92 119.74 118.08 3i3a s LYS 2 Ca 0.00 -0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 3i3a s LYS 2 Cb 0.00 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 3i3a s LYS 2 CO 0.00 0.10 0.04 0.42 -0.36 0.00 0.00 175.35 175.56 3i3a s ILE 3 N 0.51 4.45 0.22 5.43 1.01 -1.26 -2.76 121.20 128.81 3i3a s ILE 3 Ca -0.16 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 3i3a s ILE 3 Cb -0.17 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.18 3i3a s ILE 3 CO 0.06 0.43 1.45 -2.28 0.00 0.00 0.00 174.94 174.59 3i3a s HIS 4 N 0.78 3.06 0.31 3.97 5.65 0.62 -4.91 115.29 124.78 3i3a s HIS 4 Ca 0.02 0.98 0.10 0.00 0.25 0.00 0.00 55.06 56.41 3i3a s HIS 4 Cb -0.14 -3.81 0.97 0.00 -1.18 0.00 0.00 32.58 28.42 3i3a s HIS 4 CO 0.02 -2.71 1.45 -2.30 -0.65 0.00 0.00 174.74 170.56 3i3a n PRO 5 N 2.70 -0.06 0.00 2.88 -0.02 -1.26 -0.78 135.00 138.46 3i3a n PRO 5 Ca 0.08 1.33 0.13 0.00 -2.02 0.00 0.00 63.50 63.02 3i3a n PRO 5 Cb 0.40 -2.24 0.48 0.00 -0.02 0.00 0.00 33.50 32.11 3i3a n PRO 5 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i3a n THR 6 N -5.23 0.00 -2.08 3.45 -2.24 -1.26 -4.88 114.28 102.04 3i3a n THR 6 Ca 0.28 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.60 3i3a n THR 6 Cb 0.95 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 3i3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3a s ALA 7 N -2.66 3.56 -0.47 6.98 0.00 0.04 -4.09 121.76 125.12 3i3a s ALA 7 Ca 0.22 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 3i3a s ALA 7 Cb 0.19 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.89 3i3a s ALA 7 CO 0.54 -0.67 0.37 0.42 0.00 0.00 0.00 175.76 176.42 3i3a s ILE 8 N -0.39 4.71 -0.17 0.00 1.01 0.27 -4.96 121.20 121.67 3i3a s ILE 8 Ca 0.55 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3i3a s ILE 8 Cb -0.40 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.14 3i3a s ILE 8 CO 0.46 -0.67 -0.17 -0.63 0.00 0.00 0.00 174.94 173.93 3i3a s ILE 9 N 1.51 2.41 0.26 2.92 1.01 -1.26 -0.31 121.20 127.74 3i3a s ILE 9 Ca 0.04 -0.84 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 3i3a s ILE 9 Cb -0.26 -2.02 -0.13 0.00 0.01 0.00 0.00 42.46 40.07 3i3a s ILE 9 CO 0.03 0.52 1.45 -0.67 0.00 0.00 0.00 174.94 176.27 3i3a n ASP 10 N 4.35 3.03 0.09 3.58 -0.08 0.17 -4.88 116.55 122.82 3i3a n ASP 10 Ca -0.20 1.15 0.19 0.00 -1.51 0.00 0.00 54.79 54.42 3i3a n ASP 10 Cb 0.51 -1.47 0.75 0.00 2.34 0.00 0.00 41.12 43.24 3i3a n ASP 10 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i3a h PRO 11 N 4.25 0.00 0.00 -0.67 0.13 -1.94 -2.41 132.00 131.36 3i3a h PRO 11 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i3a h PRO 11 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3i3a h PRO 11 CO 0.76 0.00 -0.40 0.87 -0.23 0.00 0.00 178.00 179.00 3i3a h LYS 12 N 0.00 0.00 -6.72 0.86 1.57 -1.92 -3.46 116.57 106.90 3i3a h LYS 12 Ca 0.18 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.41 3i3a h LYS 12 Cb 0.87 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.27 3i3a h LYS 12 CO -0.00 0.00 0.81 0.00 -0.57 0.00 0.00 179.45 179.69 3i3a n ALA 13 N -1.99 2.12 -3.12 3.86 0.00 -0.91 -4.61 120.51 115.87 3i3a n ALA 13 Ca 0.03 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 3i3a n ALA 13 Cb 0.49 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 3i3a n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3a s GLU 14 N -0.32 2.69 -0.15 0.00 2.02 0.55 -4.99 118.70 118.50 3i3a s GLU 14 Ca 0.66 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 54.34 3i3a s GLU 14 Cb -0.55 -3.78 0.01 0.00 0.10 0.00 0.00 34.13 29.91 3i3a s GLU 14 CO 0.47 -0.88 -0.19 -0.51 0.02 0.00 0.00 175.26 174.18 3i3a s LEU 15 N 1.48 2.26 0.57 1.80 1.02 -1.26 -0.90 118.68 123.65 3i3a s LEU 15 Ca 0.02 -0.55 -0.19 0.00 0.02 0.00 0.00 54.13 53.44 3i3a s LEU 15 Cb -0.22 -1.49 -0.07 0.00 0.02 0.00 0.00 46.19 44.42 3i3a s LEU 15 CO 0.04 0.08 0.72 1.57 0.02 0.00 0.00 176.35 178.78 3i3a n HIS 16 N 4.07 0.00 0.31 0.29 -0.00 -0.72 -4.85 115.22 114.32 3i3a n HIS 16 Ca -0.20 0.45 0.19 0.00 -0.00 0.00 0.00 57.72 58.16 3i3a n HIS 16 Cb 0.52 -2.04 1.02 0.00 -0.00 0.00 0.00 29.99 29.49 3i3a n HIS 16 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3i3a h GLU 17 N 0.42 0.00 0.00 1.57 -0.00 -1.96 -2.05 114.58 112.56 3i3a h GLU 17 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 3i3a h GLU 17 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 3i3a h GLU 17 CO 0.49 0.02 -0.01 0.66 -0.00 0.00 0.00 179.01 180.16 3i3a h SER 18 N 0.00 0.00 -2.73 3.06 4.64 -1.91 -2.78 113.55 113.83 3i3a h SER 18 Ca -0.00 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 3i3a h SER 18 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3i3a h SER 18 CO 0.00 0.00 0.95 -0.69 -0.87 0.00 0.00 176.83 176.23 3i3a s VAL 19 N -3.12 2.44 -0.13 0.95 1.01 -0.77 -4.49 120.40 116.29 3i3a s VAL 19 Ca 0.10 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 3i3a s VAL 19 Cb 0.11 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3i3a s VAL 19 CO 0.61 0.02 0.05 -1.61 0.00 0.00 0.00 175.10 174.17 3i3a s GLU 20 N 1.40 3.41 -0.08 2.72 2.02 -1.04 -4.24 118.70 122.89 3i3a s GLU 20 Ca 0.73 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.38 3i3a s GLU 20 Cb -0.46 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 30.79 3i3a s GLU 20 CO 0.32 0.57 -0.05 0.08 0.02 0.00 0.00 175.26 176.19 3i3a s VAL 21 N -0.47 0.74 0.68 2.63 1.01 -1.11 0.00 120.40 123.88 3i3a s VAL 21 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3i3a s VAL 21 Cb -0.12 -0.79 0.15 0.00 0.00 0.00 0.00 36.38 35.62 3i3a s VAL 21 CO 0.02 0.30 0.93 0.61 0.00 0.00 0.00 175.10 176.96 3i3a n GLY 22 N 4.63 -0.31 3.67 4.51 0.00 0.16 -0.27 105.19 117.58 3i3a n GLY 22 Ca -0.15 -1.87 -0.46 0.00 0.00 0.00 0.00 46.02 43.54 3i3a n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i3a n PRO 23 N -2.84 2.14 -1.76 1.61 -0.02 -1.26 -3.31 135.00 129.56 3i3a n PRO 23 Ca 0.13 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 62.22 3i3a n PRO 23 Cb 0.47 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 3i3a n PRO 23 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i3a n TYR 24 N 3.37 -0.26 -3.06 6.00 4.02 -1.26 -1.02 117.16 124.95 3i3a n TYR 24 Ca 0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.74 3i3a n TYR 24 Cb 0.29 -3.02 -0.05 0.00 -0.02 0.00 0.00 39.34 36.54 3i3a n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i3a s SER 25 N -2.64 6.68 -0.18 7.72 0.01 -1.21 -3.73 113.70 120.35 3i3a s SER 25 Ca 0.00 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.47 3i3a s SER 25 Cb 0.00 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.92 3i3a s SER 25 CO 0.00 -0.26 -0.10 -0.63 0.41 0.00 0.00 173.24 172.65 3i3a s ILE 26 N -2.11 1.50 -0.17 1.44 1.01 0.52 -0.57 121.20 122.83 3i3a s ILE 26 Ca 0.53 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3i3a s ILE 26 Cb -0.10 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.82 3i3a s ILE 26 CO 0.22 0.25 -0.16 -0.63 0.00 0.00 0.00 174.94 174.62 3i3a s ILE 27 N 1.47 2.54 0.81 2.92 1.01 0.58 -0.77 121.20 129.77 3i3a s ILE 27 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 3i3a s ILE 27 Cb -0.15 -2.08 0.16 0.00 0.01 0.00 0.00 42.46 40.40 3i3a s ILE 27 CO -0.09 0.51 1.11 -1.61 0.00 0.00 0.00 174.94 174.87 3i3a s GLU 28 N 1.05 1.24 1.01 2.79 2.02 -0.39 -0.65 118.70 125.77 3i3a s GLU 28 Ca -0.01 -0.98 -0.13 0.00 0.02 0.00 0.00 54.97 53.87 3i3a s GLU 28 Cb -0.15 -2.18 0.19 0.00 0.10 0.00 0.00 34.13 32.10 3i3a s GLU 28 CO -0.04 -1.83 1.11 0.20 0.02 0.00 0.00 175.26 174.72 3i3a s GLY 29 N -4.83 1.57 -1.36 -1.39 0.00 -1.26 -4.18 107.32 95.88 3i3a s GLY 29 Ca 0.70 -0.53 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 3i3a s GLY 29 CO 0.47 0.12 0.99 0.70 0.00 0.00 0.00 173.10 175.38 3i3a n ASN 30 N -4.16 -3.90 -4.08 1.64 3.02 -1.26 -3.88 115.26 102.64 3i3a n ASN 30 Ca 0.07 -0.68 -0.22 0.00 -0.03 0.00 0.00 54.58 53.72 3i3a n ASN 30 Cb 0.58 -4.55 -0.15 0.00 -0.61 0.00 0.00 39.78 35.05 3i3a n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i3a s VAL 31 N -3.40 1.00 -0.03 2.41 1.01 -1.26 -0.53 120.40 119.60 3i3a s VAL 31 Ca 0.35 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3i3a s VAL 31 Cb -0.17 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 3i3a s VAL 31 CO 0.77 0.29 -0.14 -0.55 0.00 0.00 0.00 175.10 175.47 3i3a s SER 32 N -0.20 1.79 -0.12 3.32 0.15 -0.30 -0.33 113.70 118.01 3i3a s SER 32 Ca 0.03 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 3i3a s SER 32 Cb -0.06 -0.44 0.04 0.00 -1.71 0.00 0.00 66.02 63.85 3i3a s SER 32 CO -0.00 0.13 0.05 -0.63 1.20 0.00 0.00 173.24 173.99 3i3a s ILE 33 N 0.02 0.13 0.25 6.45 1.01 -0.08 0.22 121.20 129.21 3i3a s ILE 33 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 3i3a s ILE 33 Cb -0.10 -0.53 0.05 0.00 0.01 0.00 0.00 42.46 41.89 3i3a s ILE 33 CO 0.01 -0.01 0.34 0.00 0.00 0.00 0.00 174.94 175.28 3i3a n GLN 34 N 5.21 -0.02 -1.81 2.79 6.02 0.32 -1.75 117.38 128.13 3i3a n GLN 34 Ca -0.06 -0.67 -0.41 0.00 -0.01 0.00 0.00 57.00 55.84 3i3a n GLN 34 Cb 0.49 -0.30 -0.02 0.00 1.02 0.00 0.00 30.24 31.43 3i3a n GLN 34 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3i3a s GLU 35 N -3.53 4.14 0.00 -1.09 2.12 -1.26 -3.43 118.70 115.65 3i3a s GLU 35 Ca 0.20 2.54 0.00 0.00 0.36 0.00 0.00 54.97 58.07 3i3a s GLU 35 Cb -0.01 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.34 3i3a s GLU 35 CO 0.14 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 3i3a n GLY 36 N 2.27 0.77 3.73 -1.50 0.00 -1.26 -0.34 105.19 108.86 3i3a n GLY 36 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i3a n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3a s THR 37 N -3.04 3.76 -0.12 2.61 2.01 -1.22 -3.98 115.64 115.65 3i3a s THR 37 Ca 0.00 1.42 0.01 0.00 0.31 0.00 0.00 61.69 63.43 3i3a s THR 37 Cb 0.00 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 3i3a s THR 37 CO 0.00 0.20 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.34 3i3a s ILE 38 N 0.21 2.80 -0.15 1.82 1.01 -0.08 -2.51 121.20 124.30 3i3a s ILE 38 Ca 0.54 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3i3a s ILE 38 Cb -0.31 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3i3a s ILE 38 CO 0.34 0.53 -0.18 -0.63 0.00 0.00 0.00 174.94 175.00 3i3a s ILE 39 N 0.38 2.40 0.52 2.92 1.01 0.10 -0.66 121.20 127.87 3i3a s ILE 39 Ca -0.13 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 3i3a s ILE 39 Cb -0.16 -2.00 0.10 0.00 0.01 0.00 0.00 42.46 40.41 3i3a s ILE 39 CO 0.06 0.53 0.72 -0.62 0.00 0.00 0.00 174.94 175.62 3i3a n GLU 40 N 4.16 0.09 -1.20 2.79 1.02 0.01 0.39 120.64 127.91 3i3a n GLU 40 Ca -0.20 -1.94 -0.34 0.00 -0.02 0.00 0.00 57.16 54.66 3i3a n GLU 40 Cb 0.51 -0.48 0.11 0.00 -0.02 0.00 0.00 31.44 31.57 3i3a n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i3a n GLY 41 N -0.49 -0.35 2.35 0.62 0.00 -1.26 -3.72 105.19 102.35 3i3a n GLY 41 Ca 0.12 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 3i3a n GLY 41 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i3a n HIS 42 N -2.95 -0.66 -3.27 1.61 8.25 -0.18 -2.36 115.22 115.65 3i3a n HIS 42 Ca 0.13 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.22 3i3a n HIS 42 Cb 0.50 -3.18 -0.06 0.00 1.12 0.00 0.00 29.99 28.37 3i3a n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3a s VAL 43 N -2.61 4.74 -0.16 1.59 1.01 -1.24 -2.94 120.40 120.78 3i3a s VAL 43 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3i3a s VAL 43 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3i3a s VAL 43 CO 0.00 0.37 -0.21 -0.75 0.00 0.00 0.00 175.10 174.51 3i3a s LYS 44 N -1.61 2.98 -0.28 2.72 2.20 -0.64 -0.36 119.74 124.76 3i3a s LYS 44 Ca 0.35 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 55.10 3i3a s LYS 44 Cb -0.17 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.68 3i3a s LYS 44 CO 0.20 -0.13 -0.01 0.42 -0.36 0.00 0.00 175.35 175.47 3i3a s ILE 45 N 1.10 3.16 0.45 5.43 -1.09 0.05 -0.40 121.20 129.90 3i3a s ILE 45 Ca -0.00 -1.08 -0.03 0.00 -2.23 0.00 0.00 60.65 57.32 3i3a s ILE 45 Cb -0.14 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.03 3i3a s ILE 45 CO -0.08 0.06 0.71 0.00 -1.23 0.00 0.00 174.94 174.40 3i3a n ALA 47 N -2.13 -0.59 0.00 0.00 0.00 -1.25 -2.45 120.51 114.09 3i3a n ALA 47 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i3a n ALA 47 Cb 0.56 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3i3a n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3a n GLY 48 N 1.90 0.35 3.66 0.00 0.00 0.30 -4.84 105.19 106.56 3i3a n GLY 48 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3i3a n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3a s SER 49 N -2.20 7.02 -0.32 1.61 0.01 -1.02 -1.88 113.70 116.92 3i3a s SER 49 Ca 0.00 1.60 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 3i3a s SER 49 Cb 0.00 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.72 3i3a s SER 49 CO 0.00 -0.70 0.08 -1.61 0.41 0.00 0.00 173.24 171.42 3i3a s GLU 50 N 3.19 2.70 -0.12 12.44 2.02 0.51 -1.16 118.70 138.28 3i3a s GLU 50 Ca 0.51 -1.12 0.03 0.00 0.02 0.00 0.00 54.97 54.42 3i3a s GLU 50 Cb -0.20 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.66 3i3a s GLU 50 CO 0.13 -0.60 -0.23 0.42 0.02 0.00 0.00 175.26 175.00 3i3a s ILE 51 N 1.40 2.05 0.00 -1.63 1.01 0.13 -0.74 121.20 123.42 3i3a s ILE 51 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3i3a s ILE 51 Cb -0.19 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.49 3i3a s ILE 51 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3i3a n GLY 52 N 3.78 -0.01 3.90 6.18 0.00 -0.25 -0.52 105.19 118.26 3i3a n GLY 52 Ca -0.19 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3i3a n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3a s LYS 53 N 0.00 3.62 -1.60 1.61 1.02 -1.25 -2.98 119.74 120.15 3i3a s LYS 53 Ca 0.00 -0.09 -0.16 0.00 0.02 0.00 0.00 55.97 55.73 3i3a s LYS 53 Cb 0.00 -2.85 0.13 0.00 -0.52 0.00 0.00 37.83 34.59 3i3a s LYS 53 CO 0.00 0.47 0.79 1.19 -0.92 0.00 0.00 175.35 176.88 3i3a n PHE 54 N 0.08 -1.88 -2.58 3.18 3.01 0.53 -0.54 117.46 119.26 3i3a n PHE 54 Ca -0.02 0.77 -0.30 0.00 1.01 0.00 0.00 57.45 58.91 3i3a n PHE 54 Cb 0.52 -3.15 -0.01 0.00 -0.01 0.00 0.00 39.48 36.83 3i3a n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i3a s ASN 55 N -3.19 6.40 -0.05 4.37 0.01 -1.26 -3.10 114.94 118.12 3i3a s ASN 55 Ca 0.68 1.15 0.04 0.00 -0.71 0.00 0.00 52.86 54.02 3i3a s ASN 55 Cb -0.36 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 38.96 3i3a s ASN 55 CO 0.84 -0.55 -0.17 -0.60 -1.51 0.00 0.00 177.10 175.11 3i3a s ARG 56 N -4.39 1.87 -0.28 -0.60 3.52 0.14 -0.90 118.95 118.31 3i3a s ARG 56 Ca 0.51 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 55.54 3i3a s ARG 56 Cb -0.10 -1.58 0.06 0.00 -1.56 0.00 0.00 34.95 31.77 3i3a s ARG 56 CO 0.40 0.20 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.95 3i3a s PHE 57 N 0.19 3.32 0.67 5.12 0.40 0.17 -1.01 117.98 126.83 3i3a s PHE 57 Ca -0.07 -2.31 -0.11 0.00 -0.60 0.00 0.00 56.93 53.84 3i3a s PHE 57 Cb -0.13 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 3i3a s PHE 57 CO 0.03 -0.87 1.06 -1.01 0.70 0.00 0.00 175.22 175.13 3i3a s HIS 58 N 1.11 3.38 -0.07 0.36 3.76 0.16 -0.81 115.29 123.18 3i3a s HIS 58 Ca -0.06 1.22 -0.40 0.00 -0.15 0.00 0.00 55.06 55.67 3i3a s HIS 58 Cb -0.20 -2.89 -0.19 0.00 1.11 0.00 0.00 32.58 30.41 3i3a s HIS 58 CO -0.05 -1.03 1.26 0.94 -0.85 0.00 0.00 174.74 175.01 3i3a n GLN 59 N -2.95 0.35 -0.81 1.40 7.27 -1.26 -1.99 117.38 119.39 3i3a n GLN 59 Ca 0.07 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.26 3i3a n GLN 59 Cb 0.55 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 31.53 3i3a n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i3a n GLY 60 N 2.29 1.35 3.76 1.69 0.00 -1.00 -2.21 105.19 111.08 3i3a n GLY 60 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3i3a n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3a s ALA 61 N -3.80 3.68 -0.15 4.61 0.00 -0.84 -3.87 121.76 121.39 3i3a s ALA 61 Ca 0.00 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.55 3i3a s ALA 61 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.49 3i3a s ALA 61 CO 0.00 -1.02 -0.19 0.14 0.00 0.00 0.00 175.76 174.69 3i3a s VAL 62 N -0.44 2.26 -0.15 0.00 -7.23 -0.18 -1.62 120.40 113.04 3i3a s VAL 62 Ca 0.59 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 3i3a s VAL 62 Cb -0.47 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3i3a s VAL 62 CO 0.54 0.54 -0.20 -0.63 -0.31 0.00 0.00 175.10 175.03 3i3a s ILE 63 N 0.88 1.99 -0.13 -0.62 -1.09 0.47 -0.67 121.20 122.03 3i3a s ILE 63 Ca -0.05 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 3i3a s ILE 63 Cb -0.15 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3i3a s ILE 63 CO -0.03 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 3i3a n GLY 64 N 4.35 0.43 3.71 6.18 0.00 0.16 -0.85 105.19 119.16 3i3a n GLY 64 Ca -0.20 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 3i3a n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3a s VAL 65 N -2.05 2.44 0.27 1.61 -7.23 -1.05 -4.22 120.40 110.17 3i3a s VAL 65 Ca 0.00 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 3i3a s VAL 65 Cb 0.00 -2.38 -0.13 0.00 0.56 0.00 0.00 36.38 34.42 3i3a s VAL 65 CO 0.00 -0.17 1.26 0.23 -0.31 0.00 0.00 175.10 176.11 3i3a n MET 66 N -3.79 1.83 -1.63 4.82 2.81 -1.26 -2.35 117.12 117.55 3i3a n MET 66 Ca 0.11 0.65 -0.42 0.00 -1.81 0.00 0.00 57.70 56.23 3i3a n MET 66 Cb 0.52 -2.20 0.01 0.00 -0.71 0.00 0.00 33.22 30.83 3i3a n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3i3a n PRO 67 N 1.27 1.49 -2.61 0.03 -0.02 -1.26 -4.83 135.00 129.07 3i3a n PRO 67 Ca 0.09 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 3i3a n PRO 67 Cb 0.32 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3i3a n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i3a n GLN 68 N 0.23 3.41 -3.50 -0.52 6.02 -1.26 -4.85 117.38 116.91 3i3a n GLN 68 Ca 0.09 -3.60 -0.13 0.00 -0.01 0.00 0.00 57.00 53.35 3i3a n GLN 68 Cb 0.38 -3.06 -0.11 0.00 1.02 0.00 0.00 30.24 28.47 3i3a n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i3a s ASP 69 N 2.29 0.62 0.46 1.08 3.68 -1.26 -5.01 116.67 118.53 3i3a s ASP 69 Ca 0.43 0.23 0.13 0.00 2.13 0.00 0.00 52.55 55.48 3i3a s ASP 69 Cb 0.03 0.78 1.06 0.00 -1.45 0.00 0.00 42.92 43.35 3i3a s ASP 69 CO 0.01 -0.29 2.05 -0.07 0.13 0.00 0.00 175.17 177.00 3i3a h LEU 70 N 8.25 0.09 -0.23 -1.34 3.38 -2.04 -2.79 115.31 120.63 3i3a h LEU 70 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i3a h LEU 70 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i3a h LEU 70 CO 0.23 0.16 -0.40 0.61 0.09 0.00 0.00 178.44 179.12 3i3a n GLY 71 N -1.26 -0.94 3.72 0.83 0.00 -1.26 -4.93 105.19 101.34 3i3a n GLY 71 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3i3a n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i3a s PHE 72 N -2.77 3.27 -0.37 1.61 5.36 -1.05 -4.98 117.98 119.04 3i3a s PHE 72 Ca 0.17 1.08 -0.26 0.00 -0.96 0.00 0.00 56.93 56.96 3i3a s PHE 72 Cb 0.18 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.25 3i3a s PHE 72 CO 0.62 -2.11 0.94 1.21 -1.46 0.00 0.00 175.22 174.43 3i3a s ASN 73 N 0.84 6.69 0.00 6.13 3.84 -1.26 -4.93 114.94 126.25 3i3a s ASN 73 Ca 0.61 0.60 0.27 0.00 0.21 0.00 0.00 52.86 54.55 3i3a s ASN 73 Cb -0.36 -2.47 1.42 0.00 -0.55 0.00 0.00 41.25 39.29 3i3a s ASN 73 CO 0.33 -0.88 1.92 0.00 -2.79 0.00 0.00 177.10 175.68 3i3a n GLN 74 N 6.83 0.53 0.00 0.43 6.02 -1.26 -2.41 117.38 127.52 3i3a n GLN 74 Ca 0.08 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 3i3a n GLN 74 Cb 0.48 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 30.76 3i3a n GLN 74 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3a n GLN 75 N -1.19 0.03 -2.61 -1.09 6.02 -1.26 -4.92 117.38 112.35 3i3a n GLN 75 Ca 0.15 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.74 3i3a n GLN 75 Cb 0.17 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 3i3a n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i3a s LEU 76 N -2.98 4.53 -0.96 1.08 1.43 -1.01 -4.99 118.68 115.78 3i3a s LEU 76 Ca 0.14 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 3i3a s LEU 76 Cb 0.19 -3.71 0.14 0.00 0.03 0.00 0.00 46.19 42.83 3i3a s LEU 76 CO 0.58 -0.05 1.15 -0.22 0.23 0.00 0.00 176.35 178.03 3i3a s LEU 77 N -1.51 5.09 0.38 1.79 2.96 -1.26 -5.00 118.68 121.12 3i3a s LEU 77 Ca 0.45 -2.16 0.08 0.00 -0.22 0.00 0.00 54.13 52.28 3i3a s LEU 77 Cb -0.28 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3i3a s LEU 77 CO 0.35 -1.02 0.21 0.42 -1.32 0.00 0.00 176.35 174.99 3i3a s THR 78 N 2.52 2.78 0.14 3.68 -4.23 -1.26 -4.58 115.64 114.68 3i3a s THR 78 Ca 0.33 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 3i3a s THR 78 Cb -0.05 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 3i3a s THR 78 CO -0.09 -0.09 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.23 3i3a s LYS 79 N -3.93 1.07 -0.13 3.99 1.02 -1.26 -4.35 119.74 116.15 3i3a s LYS 79 Ca 0.41 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 55.07 3i3a s LYS 79 Cb -0.01 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.48 3i3a s LYS 79 CO 0.24 0.15 -0.14 0.99 -0.92 0.00 0.00 175.35 175.66 3i3a s THR 80 N -2.57 1.53 -0.23 2.17 2.01 -0.79 -2.11 115.64 115.65 3i3a s THR 80 Ca 0.13 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3i3a s THR 80 Cb -0.02 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3i3a s THR 80 CO 0.03 0.45 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.69 3i3a s VAL 81 N 1.28 3.45 -0.06 3.82 1.01 0.13 -0.37 120.40 129.67 3i3a s VAL 81 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3i3a s VAL 81 Cb -0.14 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3i3a s VAL 81 CO -0.07 0.37 -0.16 -0.63 0.00 0.00 0.00 175.10 174.62 3i3a s ILE 82 N 1.48 1.39 0.00 2.22 1.01 0.08 -0.21 121.20 127.17 3i3a s ILE 82 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3i3a s ILE 82 Cb -0.15 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3i3a s ILE 82 CO -0.02 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3i3a n GLY 83 N 3.51 0.98 3.71 6.18 0.00 -0.38 -1.09 105.19 118.11 3i3a n GLY 83 Ca -0.20 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 3i3a n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3a s ASP 84 N -1.00 5.04 -1.51 1.61 1.01 -1.24 -2.52 116.67 118.06 3i3a s ASP 84 Ca 0.00 -0.30 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 3i3a s ASP 84 Cb 0.00 -1.17 0.01 0.00 1.01 0.00 0.00 42.92 42.78 3i3a s ASP 84 CO 0.00 0.08 0.30 1.41 0.21 0.00 0.00 175.17 177.17 3i3a n HIS 85 N -0.22 -1.56 -3.38 4.23 8.25 0.30 -0.78 115.22 122.05 3i3a n HIS 85 Ca -0.09 0.27 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 3i3a n HIS 85 Cb 0.55 -3.84 -0.06 0.00 1.12 0.00 0.00 29.99 27.77 3i3a n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3i3a s ASN 86 N -2.39 6.75 -0.20 0.41 0.01 -1.26 -3.18 114.94 115.08 3i3a s ASN 86 Ca 0.17 1.02 0.01 0.00 -0.71 0.00 0.00 52.86 53.35 3i3a s ASN 86 Cb -0.08 -2.26 0.03 0.00 0.41 0.00 0.00 41.25 39.34 3i3a s ASN 86 CO 0.21 0.05 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.06 3i3a s ILE 87 N -1.58 2.20 -0.30 0.60 1.01 -0.45 -0.69 121.20 122.00 3i3a s ILE 87 Ca 0.41 -1.07 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3i3a s ILE 87 Cb -0.14 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.33 3i3a s ILE 87 CO 0.20 0.39 0.07 -0.36 0.00 0.00 0.00 174.94 175.24 3i3a s PHE 88 N 1.26 3.17 0.82 3.97 0.40 -0.18 -0.05 117.98 127.36 3i3a s PHE 88 Ca 0.02 -1.14 -0.13 0.00 -0.60 0.00 0.00 56.93 55.08 3i3a s PHE 88 Cb -0.15 -2.24 0.19 0.00 0.51 0.00 0.00 43.02 41.33 3i3a s PHE 88 CO -0.10 -0.63 1.11 0.54 0.70 0.00 0.00 175.22 176.84 3i3a n ARG 89 N 4.83 -0.98 -1.82 0.44 5.12 0.15 -0.67 116.66 123.73 3i3a n ARG 89 Ca -0.14 -1.85 -0.42 0.00 -1.93 0.00 0.00 57.85 53.51 3i3a n ARG 89 Cb 0.47 -1.11 -0.03 0.00 -1.16 0.00 0.00 32.46 30.63 3i3a n ARG 89 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3i3a s GLU 90 N -5.41 4.17 -0.72 5.56 8.01 -1.26 -2.11 118.70 126.93 3i3a s GLU 90 Ca 0.64 2.49 0.00 0.00 0.01 0.00 0.00 54.97 58.12 3i3a s GLU 90 Cb -0.02 -3.13 0.00 0.00 -4.31 0.00 0.00 34.13 26.67 3i3a s GLU 90 CO 0.45 -0.69 0.00 0.66 0.01 0.00 0.00 175.26 175.69 3i3a n TYR 91 N 4.05 0.00 -1.86 1.61 4.02 -0.94 -1.49 117.16 122.56 3i3a n TYR 91 Ca 0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.67 3i3a n TYR 91 Cb 0.37 -2.25 0.05 0.00 -0.02 0.00 0.00 39.34 37.49 3i3a n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3a s SER 92 N -2.30 5.05 -0.12 7.72 1.04 -0.90 -3.90 113.70 120.30 3i3a s SER 92 Ca 0.00 2.58 -0.04 0.00 0.48 0.00 0.00 55.95 58.97 3i3a s SER 92 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 3i3a s SER 92 CO 0.00 -1.70 0.08 0.54 0.98 0.00 0.00 173.24 173.14 3i3a s ASN 93 N -1.32 1.78 -0.19 7.02 2.20 -0.18 -1.01 114.94 123.24 3i3a s ASN 93 Ca 0.77 -0.29 -0.03 0.00 -0.94 0.00 0.00 52.86 52.37 3i3a s ASN 93 Cb -0.36 -0.17 -0.01 0.00 -2.00 0.00 0.00 41.25 38.71 3i3a s ASN 93 CO 0.40 -0.31 -0.07 -0.63 -2.94 0.00 0.00 177.10 173.55 3i3a s ILE 94 N 2.16 3.27 -0.00 0.54 -1.09 0.16 -1.53 121.20 124.71 3i3a s ILE 94 Ca 0.03 -0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 3i3a s ILE 94 Cb -0.14 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 3i3a s ILE 94 CO -0.07 0.46 0.33 -1.00 -1.23 0.00 0.00 174.94 173.43 3i3a s HIS 95 N 1.11 3.64 0.88 3.97 3.76 -0.24 0.35 115.29 128.76 3i3a s HIS 95 Ca 0.01 0.77 -0.12 0.00 -0.15 0.00 0.00 55.06 55.57 3i3a s HIS 95 Cb -0.15 -2.13 0.12 0.00 1.11 0.00 0.00 32.58 31.53 3i3a s HIS 95 CO -0.01 0.63 1.13 -1.59 -0.85 0.00 0.00 174.74 174.04 3i3a s LYS 96 N -1.41 1.40 1.16 1.40 -2.85 -0.99 -4.38 119.74 114.07 3i3a s LYS 96 Ca 0.25 0.35 -0.19 0.00 -1.00 0.00 0.00 55.97 55.38 3i3a s LYS 96 Cb -0.14 -1.86 0.28 0.00 -2.06 0.00 0.00 37.83 34.04 3i3a s LYS 96 CO 0.13 -2.03 1.20 0.20 0.10 0.00 0.00 175.35 174.95 3i3a s GLY 97 N -4.04 1.67 0.00 0.59 0.00 -0.90 -4.12 107.32 100.53 3i3a s GLY 97 Ca 0.63 -1.17 0.08 0.00 0.00 0.00 0.00 44.72 44.27 3i3a s GLY 97 CO 0.53 -0.26 0.37 -1.30 0.00 0.00 0.00 173.10 172.44 3i3a n THR 98 N -4.52 0.00 -4.12 0.90 -2.24 -1.20 -4.67 114.28 98.43 3i3a n THR 98 Ca 0.16 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3i3a n THR 98 Cb 0.60 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 3i3a n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i3a s LYS 99 N -1.78 0.69 0.21 -0.78 1.02 -1.24 -4.90 119.74 112.96 3i3a s LYS 99 Ca 0.03 -1.05 -0.18 0.00 0.02 0.00 0.00 55.97 54.79 3i3a s LYS 99 Cb 0.06 -0.28 0.18 0.00 -0.52 0.00 0.00 37.83 37.28 3i3a s LYS 99 CO 0.34 0.02 1.58 1.49 -0.92 0.00 0.00 175.35 177.87 3i3a h GLU 100 N 3.74 -0.10 -0.46 1.68 4.57 -1.95 0.43 114.58 122.50 3i3a h GLU 100 Ca -0.36 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3i3a h GLU 100 Cb 1.18 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3i3a h GLU 100 CO 0.52 -0.06 0.00 -0.40 -1.18 0.00 0.00 179.01 177.89 3i3a n ASP 101 N -5.46 2.38 -3.75 1.04 5.68 -1.26 -4.55 116.55 110.64 3i3a n ASP 101 Ca 0.07 -2.06 -0.28 0.00 -0.50 0.00 0.00 54.79 52.02 3i3a n ASP 101 Cb 0.37 -0.32 -0.11 0.00 -1.14 0.00 0.00 41.12 39.92 3i3a n ASP 101 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3i3a n SER 102 N 0.67 2.04 -4.90 -1.12 2.88 0.14 -5.12 113.62 108.21 3i3a n SER 102 Ca 0.14 -2.98 -0.29 0.00 -1.33 0.00 0.00 58.87 54.41 3i3a n SER 102 Cb 0.40 -0.70 0.05 0.00 -0.75 0.00 0.00 64.21 63.21 3i3a n SER 102 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3i3a s PRO 103 N -1.06 2.74 -0.06 -1.46 0.04 -1.26 -3.26 135.00 130.69 3i3a s PRO 103 Ca 0.27 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 3i3a s PRO 103 Cb -0.01 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3i3a s PRO 103 CO -0.18 -1.02 1.00 0.99 0.04 0.00 0.00 177.00 177.84 3i3a s THR 104 N -3.28 4.81 -0.14 1.26 2.01 -0.96 -4.56 115.64 114.78 3i3a s THR 104 Ca 0.58 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.64 3i3a s THR 104 Cb -0.11 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.10 3i3a s THR 104 CO 0.49 0.07 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.58 3i3a s VAL 105 N 1.59 2.07 -0.10 3.82 1.01 -0.71 0.20 120.40 128.29 3i3a s VAL 105 Ca 0.50 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3i3a s VAL 105 Cb -0.20 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.37 3i3a s VAL 105 CO 0.22 0.55 -0.21 -0.63 0.00 0.00 0.00 175.10 175.04 3i3a s ILE 106 N 0.76 1.83 0.00 2.22 1.01 0.70 -0.44 121.20 127.28 3i3a s ILE 106 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3i3a s ILE 106 Cb -0.16 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3i3a s ILE 106 CO -0.01 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3i3a n GLY 107 N 3.67 0.63 3.48 6.18 0.00 0.37 -1.25 105.19 118.29 3i3a n GLY 107 Ca -0.20 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3i3a n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 108 N -1.06 3.78 -1.73 1.61 0.01 -1.23 -2.14 114.94 114.19 3i3a s ASN 108 Ca 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.44 3i3a s ASN 108 Cb 0.00 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.20 3i3a s ASN 108 CO 0.00 0.13 0.00 0.29 -1.51 0.00 0.00 177.10 176.01 3i3a n LYS 109 N 0.29 -1.40 -2.83 -0.60 5.02 0.04 -1.02 118.16 117.66 3i3a n LYS 109 Ca -0.13 0.99 -0.31 0.00 -2.02 0.00 0.00 58.31 56.84 3i3a n LYS 109 Cb 0.55 -5.43 -0.04 0.00 -0.02 0.00 0.00 35.03 30.09 3i3a n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i3a s ASN 110 N -2.41 6.63 -0.19 4.39 0.01 -1.26 -3.47 114.94 118.63 3i3a s ASN 110 Ca 0.00 1.29 0.01 0.00 -0.71 0.00 0.00 52.86 53.45 3i3a s ASN 110 Cb 0.00 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.31 3i3a s ASN 110 CO 0.00 -0.39 -0.13 -0.47 -1.51 0.00 0.00 177.10 174.60 3i3a s TYR 111 N -2.31 2.52 -0.35 2.20 6.14 0.06 -1.34 117.35 124.27 3i3a s TYR 111 Ca 0.54 -1.60 -0.07 0.00 0.64 0.00 0.00 57.07 56.58 3i3a s TYR 111 Cb -0.10 -1.71 0.04 0.00 0.42 0.00 0.00 41.96 40.61 3i3a s TYR 111 CO 0.27 -0.75 0.12 -0.06 0.64 0.00 0.00 175.55 175.77 3i3a s PHE 112 N 1.37 3.26 0.89 4.97 0.40 0.93 -0.17 117.98 129.63 3i3a s PHE 112 Ca 0.00 -1.41 -0.12 0.00 -0.60 0.00 0.00 56.93 54.81 3i3a s PHE 112 Cb -0.15 -2.35 0.12 0.00 0.51 0.00 0.00 43.02 41.15 3i3a s PHE 112 CO -0.09 -0.73 1.12 -1.64 0.70 0.00 0.00 175.22 174.58 3i3a s MET 113 N 1.41 1.32 0.30 0.44 -1.94 0.71 0.30 119.30 121.85 3i3a s MET 113 Ca -0.01 0.39 -0.28 0.00 -1.71 0.00 0.00 55.69 54.09 3i3a s MET 113 Cb -0.20 -1.85 -0.14 0.00 2.01 0.00 0.00 34.83 34.66 3i3a s MET 113 CO 0.03 -2.09 1.07 0.41 -0.01 0.00 0.00 175.02 174.43 3i3a n GLY 114 N -2.10 -0.06 3.23 -0.03 0.00 -1.26 -1.66 105.19 103.30 3i3a n GLY 114 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3i3a n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3a n ASN 115 N 1.10 -2.65 -4.80 1.61 3.02 -0.56 -2.03 115.26 110.95 3i3a n ASN 115 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 3i3a n ASN 115 Cb 0.33 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 3i3a n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i3a s SER 116 N -2.13 5.88 -0.04 6.41 1.04 -0.67 -4.02 113.70 120.17 3i3a s SER 116 Ca 0.00 1.84 0.02 0.00 0.48 0.00 0.00 55.95 58.28 3i3a s SER 116 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.60 3i3a s SER 116 CO 0.00 -1.10 -0.07 -2.28 0.98 0.00 0.00 173.24 170.78 3i3a s HIS 117 N -2.37 0.88 -0.29 5.02 2.46 -0.02 -1.01 115.29 119.97 3i3a s HIS 117 Ca 0.64 -0.26 -0.01 0.00 0.47 0.00 0.00 55.06 55.91 3i3a s HIS 117 Cb -0.16 -0.71 0.05 0.00 -0.13 0.00 0.00 32.58 31.63 3i3a s HIS 117 CO 0.34 -0.18 -0.03 0.08 -2.47 0.00 0.00 174.74 172.48 3i3a s VAL 118 N 0.70 2.79 0.85 0.89 1.01 -0.58 -1.25 120.40 124.81 3i3a s VAL 118 Ca -0.10 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3i3a s VAL 118 Cb -0.13 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.74 3i3a s VAL 118 CO 0.01 -0.08 1.09 -0.83 0.00 0.00 0.00 175.10 175.29 3i3a s GLY 119 N 1.22 1.65 0.17 4.51 0.00 -0.65 -1.08 107.32 113.13 3i3a s GLY 119 Ca -0.06 0.15 -0.33 0.00 0.00 0.00 0.00 44.72 44.48 3i3a s GLY 119 CO -0.02 0.58 1.13 -2.39 0.00 0.00 0.00 173.10 172.40 3i3a n HIS 120 N -3.79 1.22 -1.11 1.90 1.44 -1.26 -2.55 115.22 111.06 3i3a n HIS 120 Ca 0.08 0.70 -0.04 0.00 -2.01 0.00 0.00 57.72 56.45 3i3a n HIS 120 Cb 0.54 -2.26 -0.02 0.00 0.12 0.00 0.00 29.99 28.37 3i3a n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i3a n ASP 121 N 1.96 -4.59 -4.74 4.39 8.00 -1.26 -0.74 116.55 119.56 3i3a n ASP 121 Ca 0.15 0.10 -0.35 0.00 0.71 0.00 0.00 54.79 55.39 3i3a n ASP 121 Cb 0.24 -2.44 0.06 0.00 -0.02 0.00 0.00 41.12 38.96 3i3a n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3a s ILE 123 N -1.72 1.37 -0.05 0.00 -1.09 -0.44 -1.73 121.20 117.54 3i3a s ILE 123 Ca 0.77 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 3i3a s ILE 123 Cb -0.31 -1.26 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 3i3a s ILE 123 CO 0.38 0.41 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.71 3i3a s LEU 124 N 0.99 1.14 0.00 2.97 1.02 0.41 -0.36 118.68 124.85 3i3a s LEU 124 Ca -0.07 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 53.97 3i3a s LEU 124 Cb -0.15 -0.43 0.00 0.00 0.02 0.00 0.00 46.19 45.63 3i3a s LEU 124 CO -0.01 -0.09 0.00 0.61 0.02 0.00 0.00 176.35 176.88 3i3a n GLY 125 N 4.33 0.19 3.38 -3.19 0.00 -0.58 -0.48 105.19 108.85 3i3a n GLY 125 Ca -0.21 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3i3a n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 126 N -1.17 3.30 -1.82 1.61 0.01 -1.21 -2.23 114.94 113.43 3i3a s ASN 126 Ca 0.00 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 51.45 3i3a s ASN 126 Cb 0.00 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.41 3i3a s ASN 126 CO 0.00 0.20 0.00 0.59 -1.51 0.00 0.00 177.10 176.38 3i3a n ASN 127 N 1.13 -5.24 -4.84 -1.22 3.02 -0.19 -0.45 115.26 107.48 3i3a n ASN 127 Ca -0.18 0.30 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 3i3a n ASN 127 Cb 0.53 -4.33 -0.04 0.00 -0.61 0.00 0.00 39.78 35.32 3i3a n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i3a s ASN 128 N -2.61 6.67 -0.16 6.41 0.01 -1.26 -3.76 114.94 120.23 3i3a s ASN 128 Ca 0.00 1.55 0.01 0.00 -0.71 0.00 0.00 52.86 53.71 3i3a s ASN 128 Cb 0.00 -2.50 0.03 0.00 0.41 0.00 0.00 41.25 39.19 3i3a s ASN 128 CO 0.00 -0.53 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.28 3i3a s ILE 129 N -2.53 1.69 -0.42 0.60 1.01 -0.44 -0.76 121.20 120.35 3i3a s ILE 129 Ca 0.59 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3i3a s ILE 129 Cb -0.10 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.83 3i3a s ILE 129 CO 0.28 0.42 0.27 -0.22 0.00 0.00 0.00 174.94 175.69 3i3a s LEU 130 N 1.43 5.14 0.84 2.97 2.96 0.76 -1.09 118.68 131.69 3i3a s LEU 130 Ca 0.04 -1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 52.49 3i3a s LEU 130 Cb -0.14 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.61 3i3a s LEU 130 CO -0.11 -0.52 1.11 -0.89 -1.32 0.00 0.00 176.35 174.62 3i3a s THR 131 N 1.50 2.73 0.01 3.68 2.01 -0.29 -0.21 115.64 125.07 3i3a s THR 131 Ca 0.03 0.24 -0.37 0.00 0.31 0.00 0.00 61.69 61.90 3i3a s THR 131 Cb -0.22 -2.96 -0.16 0.00 0.01 0.00 0.00 72.50 69.16 3i3a s THR 131 CO 0.04 -0.31 1.48 1.57 -0.69 0.00 0.00 174.62 176.71 3i3a n HIS 132 N -3.56 1.75 -0.92 4.92 -0.00 -1.26 -1.98 115.22 114.16 3i3a n HIS 132 Ca 0.07 0.54 0.00 0.00 0.46 0.00 0.00 57.72 58.79 3i3a n HIS 132 Cb 0.57 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 3i3a n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i3a n GLY 133 N 3.07 0.81 3.78 1.57 0.00 -0.86 -1.84 105.19 111.72 3i3a n GLY 133 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3i3a n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3a s ALA 134 N -3.42 3.16 -0.10 4.61 0.00 -0.84 -4.19 121.76 121.00 3i3a s ALA 134 Ca 0.00 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3i3a s ALA 134 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3i3a s ALA 134 CO 0.00 -0.17 -0.16 0.14 0.00 0.00 0.00 175.76 175.58 3i3a s VAL 135 N -1.55 1.48 -0.21 0.00 -7.23 0.60 -0.84 120.40 112.66 3i3a s VAL 135 Ca 0.54 -0.65 -0.08 0.00 -1.81 0.00 0.00 61.98 59.98 3i3a s VAL 135 Cb -0.24 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 3i3a s VAL 135 CO 0.30 0.44 0.09 -0.76 -0.31 0.00 0.00 175.10 174.86 3i3a s LEU 136 N 0.85 3.86 1.27 1.32 1.43 -0.38 -1.11 118.68 125.91 3i3a s LEU 136 Ca -0.10 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 3i3a s LEU 136 Cb -0.15 -2.00 0.31 0.00 0.03 0.00 0.00 46.19 44.38 3i3a s LEU 136 CO 0.01 0.12 1.04 0.00 0.23 0.00 0.00 176.35 177.75 3i3a s ALA 137 N 0.70 0.06 0.73 4.21 0.00 -0.42 -1.64 121.76 125.39 3i3a s ALA 137 Ca 0.05 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 3i3a s ALA 137 Cb -0.13 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.08 3i3a s ALA 137 CO 0.02 -3.93 1.23 0.41 0.00 0.00 0.00 175.76 173.48 3i3a n GLY 138 N -0.01 0.22 3.87 0.00 0.00 -1.26 -3.62 105.19 104.39 3i3a n GLY 138 Ca 0.12 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3i3a n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i3a n HIS 139 N -2.63 -2.38 -3.68 1.61 8.25 0.08 -3.50 115.22 112.97 3i3a n HIS 139 Ca 0.15 0.92 -0.37 0.00 -0.26 0.00 0.00 57.72 58.16 3i3a n HIS 139 Cb 0.49 -4.12 -0.06 0.00 1.12 0.00 0.00 29.99 27.42 3i3a n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3a s VAL 140 N -3.31 5.30 -0.18 1.59 1.01 -1.24 -1.08 120.40 122.50 3i3a s VAL 140 Ca 0.65 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 3i3a s VAL 140 Cb -0.32 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 3i3a s VAL 140 CO 0.82 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 175.47 3i3a s THR 141 N -0.68 2.93 -0.06 3.92 2.01 -0.75 -1.32 115.64 121.69 3i3a s THR 141 Ca 0.18 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3i3a s THR 141 Cb -0.14 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3i3a s THR 141 CO 0.07 0.48 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.64 3i3a s LEU 142 N 1.07 3.11 0.00 4.42 1.02 0.51 0.15 118.68 128.97 3i3a s LEU 142 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.09 3i3a s LEU 142 Cb -0.15 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.38 3i3a s LEU 142 CO -0.03 0.35 0.00 0.61 0.02 0.00 0.00 176.35 177.30 3i3a n GLY 143 N 2.14 0.68 3.43 -3.19 0.00 -0.74 -1.75 105.19 105.76 3i3a n GLY 143 Ca -0.17 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 3i3a n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 144 N -1.05 3.63 -1.76 1.61 0.01 -1.26 -1.53 114.94 114.59 3i3a s ASN 144 Ca 0.00 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 3i3a s ASN 144 Cb 0.00 -0.51 0.00 0.00 0.41 0.00 0.00 41.25 41.15 3i3a s ASN 144 CO 0.00 0.25 0.00 0.49 -1.51 0.00 0.00 177.10 176.33 3i3a n PHE 145 N 1.54 -0.77 -2.87 2.20 3.72 0.41 -1.76 117.46 119.93 3i3a n PHE 145 Ca -0.16 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.87 3i3a n PHE 145 Cb 0.52 -3.73 -0.06 0.00 -0.94 0.00 0.00 39.48 35.27 3i3a n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3a s ALA 146 N -2.94 3.27 -0.21 4.37 0.00 -1.26 -3.14 121.76 121.85 3i3a s ALA 146 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3i3a s ALA 146 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.08 3i3a s ALA 146 CO 0.00 0.22 -0.14 0.12 0.00 0.00 0.00 175.76 175.96 3i3a s PHE 147 N -1.59 2.78 -0.29 0.00 5.36 0.28 -1.33 117.98 123.20 3i3a s PHE 147 Ca 0.48 -1.82 -0.09 0.00 -0.96 0.00 0.00 56.93 54.54 3i3a s PHE 147 Cb -0.18 -1.82 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 3i3a s PHE 147 CO 0.23 -0.80 0.12 0.42 -1.46 0.00 0.00 175.22 173.72 3i3a s ILE 148 N 1.28 4.43 0.91 3.12 -1.09 -0.25 -0.10 121.20 129.49 3i3a s ILE 148 Ca -0.01 -0.39 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 3i3a s ILE 148 Cb -0.16 -3.21 0.22 0.00 -1.58 0.00 0.00 42.46 37.73 3i3a s ILE 148 CO -0.09 0.15 1.08 -0.24 -1.23 0.00 0.00 174.94 174.61 3i3a n SER 149 N 4.95 -0.54 -4.77 3.58 2.88 0.87 -1.13 113.62 119.45 3i3a n SER 149 Ca -0.15 -1.31 -0.40 0.00 -1.33 0.00 0.00 58.87 55.69 3i3a n SER 149 Cb 0.50 -0.87 -0.01 0.00 -0.75 0.00 0.00 64.21 63.07 3i3a n SER 149 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i3a s GLY 150 N -5.10 2.94 -1.44 0.46 0.00 -1.26 -3.54 107.32 99.38 3i3a s GLY 150 Ca 0.64 1.22 -0.07 0.00 0.00 0.00 0.00 44.72 46.51 3i3a s GLY 150 CO 0.46 1.82 0.60 1.04 0.00 0.00 0.00 173.10 177.02 3i3a n LEU 151 N 0.31 -2.26 -4.83 0.66 4.77 -0.77 -0.79 117.00 114.10 3i3a n LEU 151 Ca 0.03 -0.36 -0.37 0.00 -0.03 0.00 0.00 56.01 55.28 3i3a n LEU 151 Cb 0.43 -2.63 -0.06 0.00 -2.33 0.00 0.00 43.42 38.84 3i3a n LEU 151 CO 0.56 0.23 0.29 -0.69 -1.33 0.00 0.00 177.39 176.45 3i3a s VAL 152 N -3.09 4.75 -0.15 4.08 1.01 -1.23 -3.51 120.40 122.26 3i3a s VAL 152 Ca 0.37 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3i3a s VAL 152 Cb -0.18 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3i3a s VAL 152 CO 0.45 0.35 -0.14 0.00 0.00 0.00 0.00 175.10 175.76 3i3a s ALA 153 N -1.35 2.53 -0.22 5.51 0.00 -1.07 -0.29 121.76 126.87 3i3a s ALA 153 Ca 0.36 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 3i3a s ALA 153 Cb -0.17 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3i3a s ALA 153 CO 0.20 0.05 -0.01 0.08 0.00 0.00 0.00 175.76 176.08 3i3a s VAL 154 N 0.68 3.69 0.58 0.00 1.01 -0.27 -1.28 120.40 124.81 3i3a s VAL 154 Ca -0.07 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 3i3a s VAL 154 Cb -0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3i3a s VAL 154 CO 0.02 0.41 1.33 -2.28 0.00 0.00 0.00 175.10 174.58 3i3a s HIS 155 N 1.34 2.24 0.48 5.22 2.46 0.30 -1.30 115.29 126.02 3i3a s HIS 155 Ca 0.04 1.41 -0.24 0.00 0.47 0.00 0.00 55.06 56.75 3i3a s HIS 155 Cb -0.14 -3.75 -0.08 0.00 -0.13 0.00 0.00 32.58 28.48 3i3a s HIS 155 CO -0.00 -2.86 1.31 0.00 -2.47 0.00 0.00 174.74 170.72 3i3a n GLN 156 N -1.29 1.84 -1.02 2.88 0.00 -1.26 -3.04 117.38 115.48 3i3a n GLN 156 Ca 0.12 0.66 -0.01 0.00 0.00 0.00 0.00 57.00 57.78 3i3a n GLN 156 Cb 0.46 -2.48 -0.00 0.00 0.00 0.00 0.00 30.24 28.22 3i3a n GLN 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3a n PHE 157 N -0.59 0.00 -2.76 2.61 3.72 -0.24 -4.97 117.46 115.23 3i3a n PHE 157 Ca 0.08 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.17 3i3a n PHE 157 Cb 0.42 -0.89 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 3i3a n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3a s PHE 159 N -2.37 2.79 -0.27 0.00 0.08 -1.26 -1.81 117.98 115.13 3i3a s PHE 159 Ca 0.55 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 3i3a s PHE 159 Cb -0.10 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3i3a s PHE 159 CO 0.28 0.02 -0.01 0.08 -0.10 0.00 0.00 175.22 175.48 3i3a s VAL 160 N -0.21 3.21 0.80 -0.44 1.01 0.12 -0.59 120.40 124.30 3i3a s VAL 160 Ca 0.01 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 3i3a s VAL 160 Cb -0.13 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.65 3i3a s VAL 160 CO 0.03 0.12 1.09 -0.83 0.00 0.00 0.00 175.10 175.50 3i3a s GLY 161 N 1.36 1.64 0.34 4.51 0.00 0.11 -1.80 107.32 113.48 3i3a s GLY 161 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 44.72 44.46 3i3a s GLY 161 CO -0.02 0.41 1.08 1.22 0.00 0.00 0.00 173.10 175.79 3i3a n ASP 162 N -3.54 1.64 -2.74 1.64 8.00 -1.26 -3.15 116.55 117.14 3i3a n ASP 162 Ca 0.08 1.15 -0.22 0.00 0.71 0.00 0.00 54.79 56.51 3i3a n ASP 162 Cb 0.55 -1.35 0.02 0.00 -0.02 0.00 0.00 41.12 40.31 3i3a n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i3a n TYR 163 N 0.07 -1.54 -3.57 1.24 4.02 -0.72 -1.24 117.16 115.41 3i3a n TYR 163 Ca 0.08 0.29 -0.23 0.00 -0.01 0.00 0.00 57.90 58.03 3i3a n TYR 163 Cb 0.35 -4.30 -0.02 0.00 -0.02 0.00 0.00 39.34 35.36 3i3a n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3a s SER 164 N -2.41 6.31 -0.11 7.72 1.04 -1.19 -3.40 113.70 121.65 3i3a s SER 164 Ca 0.17 0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.96 3i3a s SER 164 Cb -0.07 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 64.07 3i3a s SER 164 CO 0.21 -0.21 -0.21 -0.32 0.98 0.00 0.00 173.24 173.68 3i3a s MET 165 N -4.15 2.84 -0.26 4.02 1.75 0.45 -0.56 119.30 123.40 3i3a s MET 165 Ca 0.38 -0.80 -0.05 0.00 -1.25 0.00 0.00 55.69 53.97 3i3a s MET 165 Cb -0.09 -2.23 -0.00 0.00 2.84 0.00 0.00 34.83 35.34 3i3a s MET 165 CO 0.33 0.07 0.02 0.08 -0.65 0.00 0.00 175.02 174.88 3i3a s VAL 166 N 0.60 3.73 0.77 10.11 1.01 0.86 -0.55 120.40 136.93 3i3a s VAL 166 Ca -0.13 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3i3a s VAL 166 Cb -0.17 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.46 3i3a s VAL 166 CO 0.04 0.26 1.09 0.00 0.00 0.00 0.00 175.10 176.49 3i3a s ALA 167 N 1.50 2.26 0.13 5.51 0.00 -0.42 -0.09 121.76 130.64 3i3a s ALA 167 Ca 0.04 0.30 -0.35 0.00 0.00 0.00 0.00 51.96 51.95 3i3a s ALA 167 Cb -0.16 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.52 3i3a s ALA 167 CO 0.00 -1.75 1.16 0.41 0.00 0.00 0.00 175.76 175.58 3i3a n GLY 168 N -1.12 0.02 2.54 0.00 0.00 -1.26 -2.27 105.19 103.10 3i3a n GLY 168 Ca 0.09 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.63 3i3a n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3a n LEU 169 N 2.09 -0.33 -4.76 0.99 4.77 0.03 -4.78 117.00 114.99 3i3a n LEU 169 Ca 0.17 0.21 -0.40 0.00 -0.03 0.00 0.00 56.01 55.96 3i3a n LEU 169 Cb 0.21 -2.07 -0.03 0.00 -2.33 0.00 0.00 43.42 39.20 3i3a n LEU 169 CO 0.61 -0.75 0.85 0.00 -1.33 0.00 0.00 177.39 176.77 3i3a s ALA 170 N -2.03 3.37 -0.45 -1.18 0.00 -0.96 -4.71 121.76 115.79 3i3a s ALA 170 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 3i3a s ALA 170 Cb 0.00 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.82 3i3a s ALA 170 CO 0.00 -0.35 0.35 0.21 0.00 0.00 0.00 175.76 175.96 3i3a s LYS 171 N -1.74 2.85 -0.30 0.00 2.20 -0.52 -2.61 119.74 119.62 3i3a s LYS 171 Ca 0.49 -1.38 -0.14 0.00 -0.36 0.00 0.00 55.97 54.57 3i3a s LYS 171 Cb -0.33 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 31.95 3i3a s LYS 171 CO 0.43 -1.00 0.34 0.08 -0.36 0.00 0.00 175.35 174.84 3i3a s VAL 172 N 1.57 5.20 -0.19 4.02 1.01 -0.40 -3.74 120.40 127.86 3i3a s VAL 172 Ca 0.04 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.35 3i3a s VAL 172 Cb -0.24 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 3i3a s VAL 172 CO 0.05 0.07 0.20 1.33 0.00 0.00 0.00 175.10 176.75 3i3a n VAL 173 N 5.16 0.00 -4.34 2.92 0.24 -1.26 -0.54 118.33 120.50 3i3a n VAL 173 Ca -0.10 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.69 3i3a n VAL 173 Cb 0.50 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.62 3i3a n VAL 173 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3i3a s GLN 174 N -1.74 1.73 0.54 7.34 -0.21 -1.26 -4.88 119.66 121.19 3i3a s GLN 174 Ca 0.01 -2.01 -0.21 0.00 0.02 0.00 0.00 55.36 53.17 3i3a s GLN 174 Cb 0.04 0.02 -0.05 0.00 1.00 0.00 0.00 33.01 34.02 3i3a s GLN 174 CO 0.22 -0.55 1.30 -0.51 -2.12 0.00 0.00 175.29 173.63 3i3a s ASP 175 N -3.41 5.36 -0.41 5.90 1.01 -0.34 -4.48 116.67 120.30 3i3a s ASP 175 Ca 0.36 2.63 -0.15 0.00 0.71 0.00 0.00 52.55 56.09 3i3a s ASP 175 Cb 0.03 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3i3a s ASP 175 CO 0.21 -1.50 0.32 -0.69 0.21 0.00 0.00 175.17 173.73 3i3a s VAL 176 N -1.39 5.23 0.60 -1.27 1.01 0.24 -1.44 120.40 123.38 3i3a s VAL 176 Ca 0.72 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 3i3a s VAL 176 Cb -0.37 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3i3a s VAL 176 CO 0.43 -0.31 1.10 -2.16 0.00 0.00 0.00 175.10 174.16 3i3a s PRO 177 N 1.77 3.16 0.57 2.72 0.04 -1.26 0.05 135.00 142.04 3i3a s PRO 177 Ca 0.06 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 3i3a s PRO 177 Cb -0.19 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3i3a s PRO 177 CO 0.11 -0.97 1.25 -1.25 0.04 0.00 0.00 177.00 176.18 3i3a s PRO 178 N -3.79 3.08 -0.28 0.56 0.04 -1.26 -2.89 135.00 130.47 3i3a s PRO 178 Ca 0.68 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3i3a s PRO 178 Cb -0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3i3a s PRO 178 CO 0.34 -1.15 0.00 0.66 0.04 0.00 0.00 177.00 176.89 3i3a n TYR 179 N -1.31 0.00 -4.40 0.56 4.01 -0.37 -4.94 117.16 110.71 3i3a n TYR 179 Ca 0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 3i3a n TYR 179 Cb 0.48 -1.38 -0.09 0.00 -0.31 0.00 0.00 39.34 38.04 3i3a n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i3a s SER 180 N -2.19 4.00 -0.12 7.72 0.01 -1.14 0.97 113.70 122.94 3i3a s SER 180 Ca 0.00 -0.99 -0.00 0.00 1.31 0.00 0.00 55.95 56.27 3i3a s SER 180 Cb 0.00 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 3i3a s SER 180 CO 0.00 -0.12 -0.12 -0.89 0.41 0.00 0.00 173.24 172.52 3i3a s THR 181 N -2.50 3.19 -0.04 1.44 2.01 0.30 -0.41 115.64 119.62 3i3a s THR 181 Ca 0.33 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.77 3i3a s THR 181 Cb -0.02 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3i3a s THR 181 CO 0.18 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.72 3i3a s VAL 182 N 0.16 2.29 -0.12 3.82 1.01 0.29 -0.47 120.40 127.38 3i3a s VAL 182 Ca -0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 3i3a s VAL 182 Cb -0.15 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.44 3i3a s VAL 182 CO 0.05 0.58 0.44 -0.62 0.00 0.00 0.00 175.10 175.54 3i3a s ASP 183 N -0.49 -0.42 0.00 3.32 2.15 -0.31 -1.30 116.67 119.62 3i3a s ASP 183 Ca 0.06 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.72 3i3a s ASP 183 Cb -0.11 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 3i3a s ASP 183 CO 0.01 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3i3a n GLY 184 N 2.26 -1.15 2.68 2.66 0.00 -1.26 -1.24 105.19 109.14 3i3a n GLY 184 Ca -0.16 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.40 3i3a n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3a s ASN 185 N -0.04 2.26 0.42 1.61 2.47 -1.26 -1.44 114.94 118.97 3i3a s ASN 185 Ca 0.00 -0.86 -0.25 0.00 0.42 0.00 0.00 52.86 52.17 3i3a s ASN 185 Cb 0.00 0.20 -0.08 0.00 -1.45 0.00 0.00 41.25 39.92 3i3a s ASN 185 CO 0.00 -0.40 1.20 -2.16 -3.72 0.00 0.00 177.10 172.02 3i3a s PRO 186 N 2.27 3.93 0.48 0.43 0.04 -1.26 -5.05 135.00 135.84 3i3a s PRO 186 Ca 0.09 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 3i3a s PRO 186 Cb -0.15 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 3i3a s PRO 186 CO -0.31 -0.44 1.00 -1.54 0.04 0.00 0.00 177.00 175.75 3i3a s SER 187 N -1.12 6.52 0.05 6.66 1.04 -1.09 -5.00 113.70 120.76 3i3a s SER 187 Ca 0.59 1.78 -0.01 0.00 0.48 0.00 0.00 55.95 58.80 3i3a s SER 187 Cb -0.32 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.22 3i3a s SER 187 CO 0.39 -0.66 -0.03 0.42 0.98 0.00 0.00 173.24 174.34 3i3a s THR 188 N -2.19 0.24 -0.26 2.02 -4.23 -0.37 -4.57 115.64 106.27 3i3a s THR 188 Ca 0.64 -1.64 -0.29 0.00 -1.18 0.00 0.00 61.69 59.22 3i3a s THR 188 Cb -0.13 -1.28 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 3i3a s THR 188 CO 0.21 -0.88 1.25 -0.69 -0.54 0.00 0.00 174.62 173.97 3i3a s VAL 189 N -3.39 4.25 0.05 2.29 1.01 0.25 -1.16 120.40 123.70 3i3a s VAL 189 Ca 0.03 1.46 0.09 0.00 0.00 0.00 0.00 61.98 63.56 3i3a s VAL 189 Cb 0.04 -4.15 -0.22 0.00 0.00 0.00 0.00 36.38 32.05 3i3a s VAL 189 CO -0.08 -0.36 1.01 -0.37 0.00 0.00 0.00 175.10 175.30 3i3a h VAL 190 N 5.77 1.33 0.00 2.92 -1.51 -1.11 0.64 116.25 124.29 3i3a h VAL 190 Ca -0.25 -3.10 0.00 0.00 -1.23 0.00 0.00 66.70 62.12 3i3a h VAL 190 Cb 1.09 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 3i3a h VAL 190 CO 1.01 0.76 0.00 0.61 -1.23 0.00 0.00 177.57 178.72 3i3a n GLY 191 N 1.44 -0.70 3.81 5.19 0.00 -1.24 -4.87 105.19 108.82 3i3a n GLY 191 Ca -0.08 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3i3a n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3a s LEU 192 N 0.00 3.96 -1.23 0.99 1.43 -1.26 -0.54 118.68 122.02 3i3a s LEU 192 Ca 0.00 1.76 -0.07 0.00 -1.03 0.00 0.00 54.13 54.79 3i3a s LEU 192 Cb 0.00 -4.49 0.20 0.00 0.03 0.00 0.00 46.19 41.93 3i3a s LEU 192 CO 0.00 -0.42 1.88 -3.20 0.23 0.00 0.00 176.35 174.84 3i3a n ASN 193 N -0.59 6.04 -0.02 2.29 5.15 0.27 -4.51 115.26 123.89 3i3a n ASN 193 Ca 0.07 -3.22 0.03 0.00 -0.60 0.00 0.00 54.58 50.86 3i3a n ASN 193 Cb 0.53 -1.39 0.39 0.00 -0.53 0.00 0.00 39.78 38.78 3i3a n ASN 193 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3i3a h SER 194 N 5.38 0.51 -0.65 1.20 0.02 -1.94 -1.58 113.55 116.49 3i3a h SER 194 Ca 0.42 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3i3a h SER 194 Cb 0.55 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3i3a h SER 194 CO 1.52 0.40 0.43 0.58 -1.14 0.00 0.00 176.83 178.61 3i3a h VAL 195 N 0.59 1.17 -0.24 2.27 2.07 -1.98 0.14 116.25 120.27 3i3a h VAL 195 Ca 0.16 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 3i3a h VAL 195 Cb -0.01 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3i3a h VAL 195 CO -0.03 0.17 -0.46 1.23 0.02 0.00 0.00 177.57 178.50 3i3a h GLY 196 N 0.88 0.69 1.19 2.17 0.00 -1.71 -2.37 103.07 103.92 3i3a h GLY 196 Ca 0.24 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.66 3i3a h GLY 196 CO -0.05 0.66 -0.49 -0.33 0.00 0.00 0.00 176.54 176.33 3i3a h MET 197 N 0.51 0.87 -0.18 4.80 2.86 -1.06 -2.12 114.93 120.60 3i3a h MET 197 Ca 0.03 -0.51 -0.06 0.00 -2.06 0.00 0.00 59.70 57.10 3i3a h MET 197 Cb 0.99 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 3i3a h MET 197 CO 0.09 1.15 -0.12 0.87 1.06 0.00 0.00 176.91 179.97 3i3a h LYS 198 N 0.68 0.40 -0.91 1.72 1.57 -0.99 -1.71 116.57 117.33 3i3a h LYS 198 Ca 0.03 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3i3a h LYS 198 Cb 1.09 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 3i3a h LYS 198 CO 0.11 0.72 0.57 0.00 -0.57 0.00 0.00 179.45 180.29 3i3a h ARG 199 N 0.07 1.21 0.00 3.15 3.08 -1.51 -0.90 114.38 119.48 3i3a h ARG 199 Ca 0.04 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3i3a h ARG 199 Cb 0.62 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3i3a h ARG 199 CO 0.03 0.82 -0.08 0.00 -1.07 0.00 0.00 179.97 179.68 3i3a h ALA 200 N 1.39 1.18 -0.34 0.04 0.00 -1.26 -3.47 119.26 116.82 3i3a h ALA 200 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i3a h ALA 200 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3i3a h ALA 200 CO -0.07 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3i3a n GLY 201 N -0.63 0.61 3.74 0.00 0.00 -0.34 -5.03 105.19 103.54 3i3a n GLY 201 Ca -0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3i3a n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3a s PHE 202 N -2.34 2.87 0.77 1.61 0.40 -0.73 -4.98 117.98 115.58 3i3a s PHE 202 Ca 0.00 0.74 -0.15 0.00 -0.60 0.00 0.00 56.93 56.93 3i3a s PHE 202 Cb 0.00 -4.01 0.05 0.00 0.51 0.00 0.00 43.02 39.57 3i3a s PHE 202 CO 0.00 -3.50 1.13 -1.13 0.70 0.00 0.00 175.22 172.42 3i3a n SER 203 N 2.73 0.91 0.01 1.36 3.41 -1.26 -4.75 113.62 116.04 3i3a n SER 203 Ca 0.10 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 3i3a n SER 203 Cb 0.38 -1.48 0.59 0.00 -0.26 0.00 0.00 64.21 63.44 3i3a n SER 203 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3i3a h PRO 204 N -0.57 0.19 -0.35 4.33 0.11 -1.99 -0.70 132.00 133.03 3i3a h PRO 204 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3i3a h PRO 204 Cb 1.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3i3a h PRO 204 CO 0.47 0.12 -0.22 0.93 -0.21 0.00 0.00 178.00 179.09 3i3a h GLU 205 N 0.19 0.76 -0.25 1.05 3.07 -1.98 -0.36 114.58 117.06 3i3a h GLU 205 Ca 0.22 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 3i3a h GLU 205 Cb 0.61 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 3i3a h GLU 205 CO -0.04 0.97 -0.01 0.28 -1.40 0.00 0.00 179.01 178.81 3i3a h VAL 206 N 0.54 1.26 -0.60 3.13 2.07 -1.82 -1.39 116.25 119.44 3i3a h VAL 206 Ca 0.07 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3i3a h VAL 206 Cb 0.78 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3i3a h VAL 206 CO 0.06 0.30 0.35 0.03 0.02 0.00 0.00 177.57 178.33 3i3a h ARG 207 N 0.23 0.66 -0.09 1.57 3.08 -1.10 -0.17 114.38 118.56 3i3a h ARG 207 Ca 0.07 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3i3a h ARG 207 Cb 0.44 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3i3a h ARG 207 CO 0.02 0.44 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.22 3i3a h ASN 208 N 0.68 0.14 0.36 7.04 2.35 -1.02 -0.54 115.58 124.58 3i3a h ASN 208 Ca 0.25 -0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.75 3i3a h ASN 208 Cb 0.08 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3i3a h ASN 208 CO -0.13 0.38 -0.92 0.00 -1.65 0.00 0.00 177.43 175.11 3i3a h ALA 209 N 1.64 0.40 -0.39 -0.83 0.00 -0.58 -0.33 119.26 119.17 3i3a h ALA 209 Ca 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.18 3i3a h ALA 209 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i3a h ALA 209 CO 0.03 0.82 0.06 0.82 0.00 0.00 0.00 179.25 180.98 3i3a h ILE 210 N 0.22 1.24 -0.22 0.00 2.04 -0.92 -2.36 117.51 117.52 3i3a h ILE 210 Ca -0.07 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3i3a h ILE 210 Cb 1.55 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 3i3a h ILE 210 CO 0.16 0.30 -0.13 0.50 0.00 0.00 0.00 178.15 178.98 3i3a h LYS 211 N 0.49 -0.11 -0.42 2.37 3.64 -1.01 -2.49 116.57 119.05 3i3a h LYS 211 Ca 0.12 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3i3a h LYS 211 Cb 0.37 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3i3a h LYS 211 CO 0.01 -0.07 0.13 1.25 -2.27 0.00 0.00 179.45 178.50 3i3a h HIS 212 N -0.11 0.23 -0.12 1.91 2.76 -1.03 0.62 115.15 119.42 3i3a h HIS 212 Ca 0.12 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 3i3a h HIS 212 Cb 0.30 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 3i3a h HIS 212 CO -0.29 0.08 -0.28 0.00 -1.30 0.00 0.00 177.93 176.14 3i3a h ALA 213 N 1.28 -0.29 0.00 5.26 0.00 -1.22 -1.39 119.26 122.90 3i3a h ALA 213 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3i3a h ALA 213 Cb 0.20 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i3a h ALA 213 CO -0.21 -0.75 -0.04 1.88 0.00 0.00 0.00 179.25 180.13 3i3a h TYR 214 N -0.35 0.00 -0.12 0.00 0.05 -1.20 -0.66 116.97 114.69 3i3a h TYR 214 Ca 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3i3a h TYR 214 Cb 0.50 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 3i3a h TYR 214 CO -0.37 0.04 0.02 -0.22 -1.05 0.00 0.00 178.16 176.59 3i3a h LYS 215 N 0.00 0.19 0.00 4.88 3.64 -0.32 -0.34 116.57 124.62 3i3a h LYS 215 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3i3a h LYS 215 Cb 0.57 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3i3a h LYS 215 CO 0.01 0.39 -0.00 0.28 -2.27 0.00 0.00 179.45 177.85 3i3a h VAL 216 N -0.04 1.01 -0.46 2.00 2.07 -0.78 0.14 116.25 120.20 3i3a h VAL 216 Ca 0.04 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i3a h VAL 216 Cb 0.29 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3i3a h VAL 216 CO 0.00 0.01 0.29 0.40 0.02 0.00 0.00 177.57 178.30 3i3a h ILE 217 N -0.03 1.09 0.00 4.57 2.04 -1.12 -3.35 117.51 120.71 3i3a h ILE 217 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3i3a h ILE 217 Cb 0.03 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3i3a h ILE 217 CO 0.00 0.11 -0.83 -1.22 0.00 0.00 0.00 178.15 176.20 3i3a n TYR 218 N -4.79 0.00 -2.05 1.37 4.01 -0.14 -4.67 117.16 110.89 3i3a n TYR 218 Ca 0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.79 3i3a n TYR 218 Cb 0.04 -0.02 0.11 0.00 -0.31 0.00 0.00 39.34 39.17 3i3a n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i3a n HIS 219 N -1.43 0.24 -1.07 -0.72 8.25 0.46 -4.77 115.22 116.18 3i3a n HIS 219 Ca -0.00 -1.18 0.03 0.00 -0.26 0.00 0.00 57.72 56.31 3i3a n HIS 219 Cb 0.02 -0.21 0.04 0.00 1.12 0.00 0.00 29.99 30.96 3i3a n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i3a n SER 220 N -0.43 1.15 -3.46 0.41 7.64 -1.08 -4.85 113.62 113.00 3i3a n SER 220 Ca 0.15 -2.12 -0.24 0.00 1.01 0.00 0.00 58.87 57.67 3i3a n SER 220 Cb 0.90 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.98 3i3a n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3a n GLY 221 N -0.54 -0.54 2.99 0.23 0.00 -1.26 -5.00 105.19 101.06 3i3a n GLY 221 Ca 0.05 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 3i3a n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i3a s ILE 222 N -3.29 0.12 0.90 -0.61 -4.36 -1.26 -5.16 121.20 107.55 3i3a s ILE 222 Ca 0.52 -0.97 -0.11 0.00 -0.26 0.00 0.00 60.65 59.84 3i3a s ILE 222 Cb -0.23 -0.34 0.13 0.00 1.25 0.00 0.00 42.46 43.27 3i3a s ILE 222 CO 0.64 -0.53 1.13 -1.54 0.24 0.00 0.00 174.94 174.88 3i3a n SER 223 N 1.51 0.36 -0.02 4.36 3.41 -1.26 -4.78 113.62 117.21 3i3a n SER 223 Ca -0.23 0.45 -0.06 0.00 -0.26 0.00 0.00 58.87 58.76 3i3a n SER 223 Cb 0.55 -1.47 0.12 0.00 -0.26 0.00 0.00 64.21 63.15 3i3a n SER 223 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i3a h THR 224 N -1.70 1.29 -0.27 6.66 2.02 -1.96 -0.38 112.91 118.57 3i3a h THR 224 Ca -0.44 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.26 3i3a h THR 224 Cb 1.28 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 3i3a h THR 224 CO 0.42 0.47 0.12 0.03 0.37 0.00 0.00 175.52 176.92 3i3a h ARG 225 N 0.49 0.40 -0.89 6.66 -0.00 -1.97 -1.82 114.38 117.25 3i3a h ARG 225 Ca 0.05 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 3i3a h ARG 225 Cb 0.83 -0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.69 3i3a h ARG 225 CO 0.07 0.42 0.50 0.87 0.00 0.00 0.00 179.97 181.83 3i3a h LYS 226 N 0.29 1.24 -0.72 0.04 1.57 -1.89 -2.91 116.57 114.19 3i3a h LYS 226 Ca 0.09 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3i3a h LYS 226 Cb 0.16 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3i3a h LYS 226 CO -0.01 0.89 0.41 0.00 -0.57 0.00 0.00 179.45 180.17 3i3a h ALA 227 N 1.30 0.92 -0.27 3.86 0.00 -0.77 -0.99 119.26 123.31 3i3a h ALA 227 Ca 0.32 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3i3a h ALA 227 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i3a h ALA 227 CO -0.05 0.41 -0.48 -0.07 0.00 0.00 0.00 179.25 179.06 3i3a h LEU 228 N 0.99 0.81 -0.86 0.00 3.38 -1.28 -2.12 115.31 116.23 3i3a h LEU 228 Ca 0.25 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3i3a h LEU 228 Cb 0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3i3a h LEU 228 CO -0.04 1.16 0.51 0.44 0.09 0.00 0.00 178.44 180.59 3i3a h ASP 229 N 0.59 1.04 -0.47 -0.43 3.32 -1.34 -2.69 116.42 116.44 3i3a h ASP 229 Ca 0.03 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3i3a h ASP 229 Cb 1.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3i3a h ASP 229 CO 0.10 0.81 0.21 -0.08 -1.72 0.00 0.00 179.24 178.56 3i3a h GLU 230 N 1.19 0.68 -0.76 3.56 4.81 -0.81 -2.57 114.58 120.68 3i3a h GLU 230 Ca 0.31 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3i3a h GLU 230 Cb -0.04 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3i3a h GLU 230 CO -0.06 0.59 0.25 -0.07 -0.73 0.00 0.00 179.01 178.99 3i3a h LEU 231 N 0.62 1.09 -1.00 1.64 3.38 -1.26 -2.76 115.31 117.02 3i3a h LEU 231 Ca 0.16 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3i3a h LEU 231 Cb 0.14 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3i3a h LEU 231 CO -0.02 1.00 -0.22 -0.33 0.09 0.00 0.00 178.44 178.97 3i3a h GLU 232 N 1.12 0.47 -0.00 1.13 5.08 -1.39 -2.87 114.58 118.12 3i3a h GLU 232 Ca 0.25 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i3a h GLU 232 Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3i3a h GLU 232 CO -0.01 0.66 -0.01 0.00 -1.00 0.00 0.00 179.01 178.65 3i3a n ALA 233 N -2.48 2.66 0.11 3.43 0.00 -0.98 -3.99 120.51 119.25 3i3a n ALA 233 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.19 3i3a n ALA 233 Cb 0.38 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 3i3a n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i3a h SER 234 N 0.73 0.00 -4.03 0.00 4.64 -1.26 -3.51 113.55 110.13 3i3a h SER 234 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i3a h SER 234 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3i3a h SER 234 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 3i3a n GLY 235 N 1.27 0.98 3.60 -0.77 0.00 -1.26 -5.06 105.19 103.96 3i3a n GLY 235 Ca -0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3i3a n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 236 N -3.62 5.87 0.36 1.61 -0.87 -1.26 -4.92 114.94 112.10 3i3a s ASN 236 Ca 0.00 1.43 -0.05 0.00 -1.57 0.00 0.00 52.86 52.67 3i3a s ASN 236 Cb 0.00 -2.52 -0.05 0.00 -0.02 0.00 0.00 41.25 38.66 3i3a s ASN 236 CO 0.00 -1.71 0.63 -0.76 -2.57 0.00 0.00 177.10 172.70 3i3a s LEU 237 N 6.96 3.93 0.47 0.60 1.43 -1.26 -5.07 118.68 125.73 3i3a s LEU 237 Ca 0.83 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 54.50 3i3a s LEU 237 Cb -0.24 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 3i3a s LEU 237 CO 0.34 -0.33 1.03 0.27 0.23 0.00 0.00 176.35 177.89 3i3a s ILE 238 N -2.31 3.85 0.34 -0.59 -4.36 -1.26 -4.85 121.20 112.02 3i3a s ILE 238 Ca 0.45 1.18 0.10 0.00 -0.26 0.00 0.00 60.65 62.12 3i3a s ILE 238 Cb -0.10 -3.49 0.39 0.00 1.25 0.00 0.00 42.46 40.50 3i3a s ILE 238 CO 0.34 -0.22 1.58 1.05 0.24 0.00 0.00 174.94 177.93 3i3a h GLU 239 N 1.69 0.01 -0.66 0.37 4.11 -1.99 -0.76 114.58 117.36 3i3a h GLU 239 Ca -0.49 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 3i3a h GLU 239 Cb 1.22 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3i3a h GLU 239 CO 0.60 0.01 0.26 1.96 0.07 0.00 0.00 179.01 181.90 3i3a h GLN 240 N 0.01 0.98 0.11 1.06 7.50 -1.99 -0.82 115.11 121.97 3i3a h GLN 240 Ca 0.71 -0.16 -0.28 0.00 0.50 0.00 0.00 58.65 59.42 3i3a h GLN 240 Cb 1.67 -0.16 0.02 0.00 0.05 0.00 0.00 27.48 29.05 3i3a h GLN 240 CO -0.85 0.80 -1.21 0.28 -1.50 0.00 0.00 178.83 176.36 3i3a h VAL 241 N 0.96 1.38 -0.90 -0.54 2.07 -1.54 -1.99 116.25 115.69 3i3a h VAL 241 Ca 0.22 -2.69 0.10 0.00 0.82 0.00 0.00 66.70 65.15 3i3a h VAL 241 Cb 0.20 2.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.65 3i3a h VAL 241 CO -0.02 0.80 0.54 0.11 0.02 0.00 0.00 177.57 179.02 3i3a h LYS 242 N 0.18 0.85 -0.39 1.57 1.57 -1.14 -1.72 116.57 117.49 3i3a h LYS 242 Ca -0.15 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3i3a h LYS 242 Cb 1.89 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 3i3a h LYS 242 CO 0.21 0.57 0.02 -0.92 -0.57 0.00 0.00 179.45 178.76 3i3a h TYR 243 N 0.88 0.72 -0.23 -1.35 -0.00 -1.02 -1.95 116.97 114.02 3i3a h TYR 243 Ca 0.44 -0.12 0.05 0.00 -0.00 0.00 0.00 58.73 59.10 3i3a h TYR 243 Cb 0.41 -0.19 -0.04 0.00 -0.00 0.00 0.00 36.73 36.90 3i3a h TYR 243 CO -0.04 0.74 -0.06 0.82 -0.00 0.00 0.00 178.16 179.62 3i3a h ILE 244 N 0.50 0.76 -0.31 1.81 2.04 -0.99 -0.31 117.51 121.00 3i3a h ILE 244 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 3i3a h ILE 244 Cb 0.44 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3i3a h ILE 244 CO 0.02 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.70 3i3a h ILE 245 N -0.01 0.96 -0.74 -0.67 2.04 -1.22 -1.91 117.51 115.95 3i3a h ILE 245 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3i3a h ILE 245 Cb 0.18 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3i3a h ILE 245 CO -0.24 0.05 0.43 0.50 0.00 0.00 0.00 178.15 178.89 3i3a h LYS 246 N 0.29 1.02 -0.63 2.37 3.64 -1.17 -1.61 116.57 120.48 3i3a h LYS 246 Ca 0.13 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3i3a h LYS 246 Cb 0.07 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3i3a h LYS 246 CO -0.11 0.74 0.37 0.35 -2.27 0.00 0.00 179.45 178.53 3i3a h PHE 247 N 1.02 0.84 -0.61 1.91 3.57 -0.79 -0.90 116.94 121.98 3i3a h PHE 247 Ca 0.26 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 3i3a h PHE 247 Cb 0.00 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3i3a h PHE 247 CO -0.01 0.58 -0.01 0.74 -2.23 0.00 0.00 178.31 177.39 3i3a h PHE 248 N 0.85 1.18 -0.15 0.41 -1.00 -1.13 -2.99 116.94 114.12 3i3a h PHE 248 Ca 0.22 -0.21 -0.16 0.00 2.81 0.00 0.00 57.97 60.63 3i3a h PHE 248 Cb -0.00 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.25 3i3a h PHE 248 CO -0.01 1.04 -0.58 0.00 -1.61 0.00 0.00 178.31 177.14 3i3a h ARG 249 N 0.98 0.47 -0.06 1.51 2.47 -0.95 -3.22 114.38 115.59 3i3a h ARG 249 Ca 0.17 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3i3a h ARG 249 Cb 0.58 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3i3a h ARG 249 CO 0.03 0.92 0.00 -0.25 0.56 0.00 0.00 179.97 181.23 3i3a n ASP 250 N -3.93 2.02 -4.72 7.04 8.00 -0.37 -4.95 116.55 119.64 3i3a n ASP 250 Ca -0.03 -1.68 -0.43 0.00 0.71 0.00 0.00 54.79 53.36 3i3a n ASP 250 Cb 0.62 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3i3a n ASP 250 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3i3a n SER 251 N 0.57 3.66 0.04 -2.24 2.88 -1.13 -4.94 113.62 112.47 3i3a n SER 251 Ca 0.17 1.11 -0.03 0.00 -1.33 0.00 0.00 58.87 58.79 3i3a n SER 251 Cb 0.43 -1.55 -0.01 0.00 -0.75 0.00 0.00 64.21 62.33 3i3a n SER 251 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3i3a h ASP 252 N 5.46 -0.17 0.91 -3.46 1.82 -1.91 -3.39 116.42 115.67 3i3a h ASP 252 Ca -0.45 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3i3a h ASP 252 Cb 1.23 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.28 3i3a h ASP 252 CO 0.85 0.28 -0.47 0.54 -1.61 0.00 0.00 179.24 178.83 3i3a n ARG 253 N -4.81 0.22 0.00 0.28 1.74 -1.26 -5.06 116.66 107.77 3i3a n ARG 253 Ca -0.03 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3i3a n ARG 253 Cb 0.08 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3i3a n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3a n GLY 254 N 1.37 0.94 3.83 -0.13 0.00 -1.26 -4.90 105.19 105.04 3i3a n GLY 254 Ca 0.04 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 3i3a n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3a s VAL 255 N -2.04 5.46 0.14 1.61 1.01 -1.26 -1.19 120.40 124.13 3i3a s VAL 255 Ca 0.00 0.20 -0.32 0.00 0.00 0.00 0.00 61.98 61.85 3i3a s VAL 255 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 3i3a s VAL 255 CO 0.00 0.56 0.83 0.41 0.00 0.00 0.00 175.10 176.90 3i3a n THR 256 N 2.47 1.22 -1.62 3.92 -1.04 -0.52 -4.77 114.28 113.94 3i3a n THR 256 Ca -0.19 -0.30 -0.45 0.00 -2.04 0.00 0.00 64.05 61.07 3i3a n THR 256 Cb 0.54 -0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.82 3i3a n THR 256 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i3a n ASN 257 N 1.81 1.79 -4.79 8.00 3.02 -1.26 -4.53 115.26 119.28 3i3a n ASN 257 Ca 0.18 1.17 -0.36 0.00 -0.03 0.00 0.00 54.58 55.54 3i3a n ASN 257 Cb 0.20 -1.32 -0.07 0.00 -0.61 0.00 0.00 39.78 37.98 3i3a n ASN 257 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i3a s HIS 258 N -0.65 3.56 -2.00 3.10 2.46 -1.26 -0.59 115.29 119.91 3i3a s HIS 258 Ca 0.64 1.72 0.13 0.00 0.47 0.00 0.00 55.06 58.02 3i3a s HIS 258 Cb -0.71 -2.90 0.76 0.00 -0.13 0.00 0.00 32.58 29.60 3i3a s HIS 258 CO 0.56 0.09 1.19 -2.13 -2.47 0.00 0.00 174.74 171.98