#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a27 s TYR 5 N 0.00 -1.09 -0.23 2.13 1.13 -1.26 -4.87 117.35 113.15 3a27 s TYR 5 Ca 0.00 1.99 -0.29 0.00 -1.41 0.00 0.00 57.07 57.36 3a27 s TYR 5 Cb 0.00 0.59 0.01 0.00 -1.10 0.00 0.00 41.96 41.46 3a27 s TYR 5 CO 0.00 -0.57 1.05 -1.14 -2.51 0.00 0.00 175.55 172.37 3a27 s GLN 6 N 2.58 4.25 -0.65 -3.49 0.74 -0.99 -4.85 119.66 117.24 3a27 s GLN 6 Ca -0.05 1.35 -0.17 0.00 0.05 0.00 0.00 55.36 56.54 3a27 s GLN 6 Cb -0.11 -3.65 0.14 0.00 1.10 0.00 0.00 33.01 30.50 3a27 s GLN 6 CO -0.17 -0.64 0.68 0.21 -0.55 0.00 0.00 175.29 174.82 3a27 s LYS 7 N 3.23 3.20 -0.26 1.67 2.20 -1.26 -0.16 119.74 128.35 3a27 s LYS 7 Ca 0.44 -1.76 -0.11 0.00 -0.36 0.00 0.00 55.97 54.18 3a27 s LYS 7 Cb -0.15 -4.37 -0.05 0.00 -1.51 0.00 0.00 37.83 31.76 3a27 s LYS 7 CO 0.07 -1.43 0.20 0.42 -0.36 0.00 0.00 175.35 174.25 3a27 s ILE 8 N 1.71 5.31 0.00 5.43 -1.09 0.13 -4.92 121.20 127.78 3a27 s ILE 8 Ca 0.11 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 3a27 s ILE 8 Cb -0.22 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3a27 s ILE 8 CO 0.00 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 3a27 n GLY 9 N 4.77 3.12 1.88 6.18 0.00 -1.26 0.57 105.19 120.45 3a27 n GLY 9 Ca -0.14 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3a27 n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a27 n ASP 10 N 3.54 4.53 -4.12 1.61 8.00 -1.26 -4.90 116.55 123.94 3a27 n ASP 10 Ca 0.00 -3.08 -0.29 0.00 0.71 0.00 0.00 54.79 52.14 3a27 n ASP 10 Cb 0.00 -0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 40.21 3a27 n ASP 10 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a27 s VAL 11 N -2.70 1.63 -0.19 2.53 1.01 0.19 -0.01 120.40 122.87 3a27 s VAL 11 Ca 0.49 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3a27 s VAL 11 Cb 0.39 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3a27 s VAL 11 CO 0.12 0.47 0.06 -0.69 0.00 0.00 0.00 175.10 175.05 3a27 s VAL 12 N 0.54 4.70 -0.34 2.92 1.01 -0.51 0.23 120.40 128.93 3a27 s VAL 12 Ca -0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 3a27 s VAL 12 Cb -0.17 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.10 3a27 s VAL 12 CO 0.06 0.45 0.18 -0.63 0.00 0.00 0.00 175.10 175.16 3a27 s ILE 13 N 0.48 4.61 0.00 2.22 1.01 0.78 -0.37 121.20 129.92 3a27 s ILE 13 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3a27 s ILE 13 Cb -0.13 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3a27 s ILE 13 CO 0.01 -0.09 0.00 0.52 0.00 0.00 0.00 174.94 175.37 3a27 n VAL 14 N 4.99 0.00 -2.69 2.92 0.31 0.16 -2.35 118.33 121.67 3a27 n VAL 14 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3a27 n VAL 14 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 3a27 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a27 n LYS 33 N 0.00 1.90 0.17 0.00 4.76 -1.26 -5.08 118.16 118.64 3a27 n LYS 33 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3a27 n LYS 33 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 3a27 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a27 h ALA 34 N 1.00 -0.50 -2.91 7.82 0.00 -0.82 -3.49 119.26 120.36 3a27 h ALA 34 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3a27 h ALA 34 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3a27 h ALA 34 CO 0.00 -0.49 -0.04 0.96 0.00 0.00 0.00 179.25 179.68 3a27 s ILE 35 N -3.47 0.00 -0.01 0.00 -5.25 -1.10 -4.86 121.20 106.51 3a27 s ILE 35 Ca -0.09 -1.37 -0.05 0.00 -0.99 0.00 0.00 60.65 58.14 3a27 s ILE 35 Cb 0.01 -2.51 -0.00 0.00 2.95 0.00 0.00 42.46 42.91 3a27 s ILE 35 CO 0.31 0.00 0.10 -1.48 -1.79 0.00 0.00 174.94 172.08 3a27 s LEU 36 N -3.11 1.67 0.33 0.37 2.34 -1.22 -1.42 118.68 117.64 3a27 s LEU 36 Ca 0.23 -0.16 0.10 0.00 0.06 0.00 0.00 54.13 54.36 3a27 s LEU 36 Cb -0.02 0.51 -0.06 0.00 -0.56 0.00 0.00 46.19 46.07 3a27 s LEU 36 CO 0.14 -0.28 -0.08 -0.76 -1.06 0.00 0.00 176.35 174.30 3a27 s LEU 37 N -1.07 2.78 -0.14 1.48 1.43 0.50 -2.26 118.68 121.41 3a27 s LEU 37 Ca -0.12 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 3a27 s LEU 37 Cb -0.07 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.07 3a27 s LEU 37 CO 0.01 -0.18 -0.15 -0.47 0.23 0.00 0.00 176.35 175.79 3a27 s TYR 38 N -2.57 2.17 0.05 0.29 5.04 0.25 -0.66 117.35 121.91 3a27 s TYR 38 Ca 0.33 -1.17 -0.17 0.00 -2.44 0.00 0.00 57.07 53.62 3a27 s TYR 38 Cb 0.01 -1.58 -0.06 0.00 0.35 0.00 0.00 41.96 40.68 3a27 s TYR 38 CO 0.17 -0.63 0.49 -0.08 -1.34 0.00 0.00 175.55 174.16 3a27 s THR 39 N 1.33 4.89 -0.25 4.34 -1.32 -1.23 -1.26 115.64 122.13 3a27 s THR 39 Ca 0.02 1.00 -0.09 0.00 -1.21 0.00 0.00 61.69 61.40 3a27 s THR 39 Cb -0.13 -3.79 0.01 0.00 -1.51 0.00 0.00 72.50 67.07 3a27 s THR 39 CO -0.08 0.54 0.21 1.41 -2.21 0.00 0.00 174.62 174.49 3a27 n HIS 50 N 1.67 -2.43 -4.49 9.09 -0.00 -1.26 -5.01 115.22 112.79 3a27 n HIS 50 Ca -0.12 1.04 -0.26 0.00 -0.00 0.00 0.00 57.72 58.39 3a27 n HIS 50 Cb 0.52 -2.71 -0.17 0.00 -0.00 0.00 0.00 29.99 27.63 3a27 n HIS 50 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3a27 s VAL 51 N -1.57 1.24 -0.06 1.59 0.11 -1.26 -5.13 120.40 115.32 3a27 s VAL 51 Ca 0.11 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3a27 s VAL 51 Cb -0.02 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 3a27 s VAL 51 CO 0.55 0.39 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.80 3a27 s LYS 52 N 0.87 2.59 0.00 1.54 2.20 -0.39 -4.97 119.74 121.58 3a27 s LYS 52 Ca -0.10 -0.72 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 3a27 s LYS 52 Cb -0.15 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3a27 s LYS 52 CO 0.01 0.55 0.62 0.42 -0.36 0.00 0.00 175.35 176.60 3a27 s ILE 53 N -0.55 4.88 -0.09 5.43 -1.09 -1.26 -0.58 121.20 127.94 3a27 s ILE 53 Ca 0.08 1.31 0.12 0.00 -2.23 0.00 0.00 60.65 59.92 3a27 s ILE 53 Cb -0.11 -3.96 -0.17 0.00 -1.58 0.00 0.00 42.46 36.64 3a27 s ILE 53 CO 0.01 0.41 0.11 0.18 -1.23 0.00 0.00 174.94 174.42 3a27 n LEU 54 N 2.76 0.00 -3.42 2.97 4.77 -0.96 -4.95 117.00 118.18 3a27 n LEU 54 Ca -0.06 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.86 3a27 n LEU 54 Cb 0.51 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.76 3a27 n LEU 54 CO 0.44 0.22 0.03 -0.47 -1.33 0.00 0.00 177.39 176.29 3a27 s TYR 55 N -2.47 -1.01 0.00 -1.77 5.04 -1.23 -4.99 117.35 110.91 3a27 s TYR 55 Ca -0.06 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 3a27 s TYR 55 Cb 0.05 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.63 3a27 s TYR 55 CO 0.52 -0.68 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 3a27 n GLY 56 N 5.39 -3.68 0.00 8.97 0.00 -1.26 -3.45 105.19 111.15 3a27 n GLY 56 Ca -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3a27 n GLY 56 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a27 n LYS 57 N -0.05 1.49 -3.66 1.61 -0.00 -1.26 -4.97 118.16 111.32 3a27 n LYS 57 Ca 0.00 -0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 3a27 n LYS 57 Cb 0.00 -0.90 -0.12 0.00 -0.00 0.00 0.00 35.03 34.01 3a27 n LYS 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3a27 s GLU 58 N -1.80 3.46 0.00 -1.58 2.12 -1.26 -4.93 118.70 114.70 3a27 s GLU 58 Ca -0.00 -0.63 0.21 0.00 0.36 0.00 0.00 54.97 54.90 3a27 s GLU 58 Cb 0.00 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 3a27 s GLU 58 CO 0.01 -0.35 1.02 0.25 -0.54 0.00 0.00 175.26 175.64 3a27 n THR 59 N 4.99 0.00 -3.02 -1.70 -2.24 -1.26 -4.74 114.28 106.31 3a27 n THR 59 Ca -0.14 -0.28 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 3a27 n THR 59 Cb 0.50 1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.92 3a27 n THR 59 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3a27 s GLU 60 N -2.30 4.48 0.26 -0.78 2.12 -1.26 -1.09 118.70 120.12 3a27 s GLU 60 Ca 0.17 1.03 -0.11 0.00 0.36 0.00 0.00 54.97 56.42 3a27 s GLU 60 Cb 0.17 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 3a27 s GLU 60 CO 0.52 0.36 0.46 0.95 -0.54 0.00 0.00 175.26 177.01 3a27 s THR 61 N -0.31 0.00 -0.23 -1.70 -4.23 -0.13 -4.96 115.64 104.09 3a27 s THR 61 Ca 0.37 -1.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 3a27 s THR 61 Cb -0.21 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 3a27 s THR 61 CO 0.23 0.00 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.67 3a27 s ILE 62 N -3.86 3.71 -0.13 2.99 1.01 -1.26 -0.95 121.20 122.70 3a27 s ILE 62 Ca 0.25 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 3a27 s ILE 62 Cb -0.00 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3a27 s ILE 62 CO 0.11 0.40 0.06 -2.28 0.00 0.00 0.00 174.94 173.23 3a27 s HIS 63 N 1.49 3.31 -0.22 3.97 2.46 0.31 -4.27 115.29 122.35 3a27 s HIS 63 Ca 0.06 0.24 -0.04 0.00 0.47 0.00 0.00 55.06 55.79 3a27 s HIS 63 Cb -0.15 -1.94 -0.01 0.00 -0.13 0.00 0.00 32.58 30.35 3a27 s HIS 63 CO -0.01 0.42 -0.05 -1.59 -2.47 0.00 0.00 174.74 171.04 3a27 s LYS 64 N -0.43 3.38 -0.07 2.88 0.00 -1.26 0.17 119.74 124.41 3a27 s LYS 64 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 55.97 55.41 3a27 s LYS 64 Cb -0.12 -2.99 0.04 0.00 0.00 0.00 0.00 37.83 34.76 3a27 s LYS 64 CO 0.02 -0.18 0.07 -2.00 0.00 0.00 0.00 175.35 173.26 3a27 s GLU 65 N 1.43 -0.05 -1.32 1.78 2.12 0.41 -4.90 118.70 118.16 3a27 s GLU 65 Ca 0.05 0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.68 3a27 s GLU 65 Cb -0.14 -0.73 -0.00 0.00 0.26 0.00 0.00 34.13 33.51 3a27 s GLU 65 CO -0.03 -0.39 0.63 0.66 -0.54 0.00 0.00 175.26 175.58 3a27 n TYR 66 N 5.30 -1.84 0.00 5.30 4.01 -1.26 -1.32 117.16 127.35 3a27 n TYR 66 Ca -0.04 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.50 3a27 n TYR 66 Cb 0.50 -4.16 0.00 0.00 -0.31 0.00 0.00 39.34 35.36 3a27 n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a27 n GLY 67 N -1.69 2.47 3.79 2.72 0.00 -1.26 -5.01 105.19 106.20 3a27 n GLY 67 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3a27 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a27 s LEU 69 N -1.57 3.87 -0.27 0.00 1.43 -1.26 -0.45 118.68 120.43 3a27 s LEU 69 Ca 0.21 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3a27 s LEU 69 Cb -0.12 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.22 3a27 s LEU 69 CO 0.12 0.22 0.03 -0.36 0.23 0.00 0.00 176.35 176.59 3a27 s PHE 70 N 0.08 2.08 0.19 0.29 0.08 0.45 -4.79 117.98 116.35 3a27 s PHE 70 Ca 0.06 -1.74 -0.29 0.00 0.12 0.00 0.00 56.93 55.08 3a27 s PHE 70 Cb -0.12 -1.69 -0.08 0.00 -0.57 0.00 0.00 43.02 40.56 3a27 s PHE 70 CO 0.01 -0.80 0.90 0.21 -0.10 0.00 0.00 175.22 175.44 3a27 s LYS 71 N 1.50 4.75 0.18 0.44 2.20 -1.26 0.12 119.74 127.66 3a27 s LYS 71 Ca 0.03 1.39 -0.23 0.00 -0.36 0.00 0.00 55.97 56.79 3a27 s LYS 71 Cb -0.18 -3.30 0.06 0.00 -1.51 0.00 0.00 37.83 32.90 3a27 s LYS 71 CO -0.13 0.45 0.72 -0.48 -0.36 0.00 0.00 175.35 175.55 3a27 s LEU 72 N -0.86 -0.39 -0.42 5.43 2.34 -0.13 -4.84 118.68 119.81 3a27 s LEU 72 Ca 0.41 -0.26 -0.14 0.00 0.06 0.00 0.00 54.13 54.20 3a27 s LEU 72 Cb -0.25 2.51 0.03 0.00 -0.56 0.00 0.00 46.19 47.93 3a27 s LEU 72 CO 0.30 -1.05 0.30 -0.62 -1.06 0.00 0.00 176.35 174.23 3a27 s ASP 73 N -2.80 6.04 0.09 1.48 3.68 -1.26 -0.96 116.67 122.95 3a27 s ASP 73 Ca 0.06 -1.02 0.17 0.00 2.13 0.00 0.00 52.55 53.89 3a27 s ASP 73 Cb -0.03 -2.14 0.71 0.00 -1.45 0.00 0.00 42.92 40.01 3a27 s ASP 73 CO -0.04 -0.48 1.52 1.33 0.13 0.00 0.00 175.17 177.63 3a27 n VAL 74 N 5.13 1.01 0.33 1.11 0.24 -0.25 -0.08 118.33 125.83 3a27 n VAL 74 Ca -0.11 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.58 3a27 n VAL 74 Cb 0.46 -1.10 0.18 0.00 -1.47 0.00 0.00 33.84 31.91 3a27 n VAL 74 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a27 h ALA 75 N 2.38 0.82 0.00 2.33 0.00 -1.93 -3.38 119.26 119.48 3a27 h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a27 h ALA 75 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3a27 h ALA 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3a27 n LYS 76 N -2.67 1.53 -4.19 0.00 5.02 -0.46 -4.84 118.16 112.55 3a27 n LYS 76 Ca 0.03 -0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 3a27 n LYS 76 Cb 0.50 -0.49 -0.17 0.00 -0.02 0.00 0.00 35.03 34.85 3a27 n LYS 76 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a27 s ILE 77 N -0.25 0.86 0.10 -0.18 -1.09 0.88 -5.00 121.20 116.51 3a27 s ILE 77 Ca 0.00 -0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 57.96 3a27 s ILE 77 Cb 0.00 -0.86 -0.07 0.00 -1.58 0.00 0.00 42.46 39.95 3a27 s ILE 77 CO 0.00 0.31 0.59 0.00 -1.23 0.00 0.00 174.94 174.62 3a27 s MET 78 N 1.17 4.21 -0.26 2.79 0.23 -1.26 -4.34 119.30 121.84 3a27 s MET 78 Ca -0.06 0.75 -0.03 0.00 -1.03 0.00 0.00 55.69 55.32 3a27 s MET 78 Cb -0.14 -3.19 0.02 0.00 -1.53 0.00 0.00 34.83 29.99 3a27 s MET 78 CO -0.02 0.60 -0.02 -0.46 -2.03 0.00 0.00 175.02 173.10 3a27 s TRP 79 N -1.17 3.09 -0.25 3.16 -0.11 -1.26 -5.09 118.94 117.31 3a27 s TRP 79 Ca 0.31 -1.38 -0.24 0.00 1.22 0.00 0.00 56.10 56.01 3a27 s TRP 79 Cb -0.19 -2.12 -0.01 0.00 -1.50 0.00 0.00 33.47 29.66 3a27 s TRP 79 CO 0.20 -0.68 0.81 0.45 -4.62 0.00 0.00 176.95 173.10 3a27 s SER 80 N 1.38 6.79 0.11 5.86 0.15 -1.26 -4.94 113.70 121.79 3a27 s SER 80 Ca 0.01 0.95 -0.15 0.00 0.70 0.00 0.00 55.95 57.46 3a27 s SER 80 Cb -0.17 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3a27 s SER 80 CO -0.02 -0.52 1.52 -0.61 1.20 0.00 0.00 173.24 174.81 3a27 h GLN 81 N 7.77 0.68 0.00 5.44 5.75 -2.04 -3.24 115.11 129.47 3a27 h GLN 81 Ca -0.23 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3a27 h GLN 81 Cb 1.10 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.60 3a27 h GLN 81 CO 0.87 0.83 0.00 0.41 -2.65 0.00 0.00 178.83 178.29 3a27 n GLY 82 N -0.22 -0.72 0.65 2.39 0.00 -1.26 -2.59 105.19 103.44 3a27 n GLY 82 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3a27 n GLY 82 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a27 n ASN 83 N -1.11 2.33 -0.29 1.61 3.02 -1.22 -4.64 115.26 114.95 3a27 n ASN 83 Ca 0.12 -1.66 0.07 0.00 -0.03 0.00 0.00 54.58 53.08 3a27 n ASN 83 Cb 0.10 0.25 0.22 0.00 -0.61 0.00 0.00 39.78 39.74 3a27 n ASN 83 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3a27 h ILE 84 N 3.18 0.73 -0.68 2.41 2.04 -1.67 -1.64 117.51 121.88 3a27 h ILE 84 Ca 0.00 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3a27 h ILE 84 Cb 0.79 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3a27 h ILE 84 CO 0.00 0.11 0.34 -0.08 0.00 0.00 0.00 178.15 178.53 3a27 h GLU 85 N 0.62 0.98 -0.33 2.37 4.57 -1.85 -1.48 114.58 119.46 3a27 h GLU 85 Ca 0.46 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.40 3a27 h GLU 85 Cb 0.65 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3a27 h GLU 85 CO -0.36 0.76 -0.22 1.49 -1.18 0.00 0.00 179.01 179.50 3a27 h GLU 86 N 0.95 0.63 -0.61 1.92 4.57 -1.65 -0.70 114.58 119.69 3a27 h GLU 86 Ca 0.24 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3a27 h GLU 86 Cb 0.10 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3a27 h GLU 86 CO -0.03 0.80 0.27 0.00 -1.18 0.00 0.00 179.01 178.87 3a27 h ARG 87 N 0.56 0.89 -0.78 1.92 3.08 -1.05 0.22 114.38 119.22 3a27 h ARG 87 Ca 0.08 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3a27 h ARG 87 Cb 0.68 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 3a27 h ARG 87 CO 0.05 0.74 0.51 0.87 -1.07 0.00 0.00 179.97 181.07 3a27 h LYS 88 N 0.84 1.03 -0.20 0.04 1.57 -1.08 -2.46 116.57 116.30 3a27 h LYS 88 Ca 0.21 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 3a27 h LYS 88 Cb 0.16 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3a27 h LYS 88 CO -0.02 0.68 -0.54 -0.09 -0.57 0.00 0.00 179.45 178.91 3a27 h ARG 89 N 1.06 0.59 0.00 3.15 2.43 -0.44 -3.07 114.38 118.09 3a27 h ARG 89 Ca 0.28 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3a27 h ARG 89 Cb -0.12 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3a27 h ARG 89 CO -0.06 0.98 -0.29 0.52 -1.51 0.00 0.00 179.97 179.61 3a27 h MET 90 N 0.46 0.00 -0.55 0.20 2.86 -0.81 -3.23 114.93 113.86 3a27 h MET 90 Ca 0.01 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 3a27 h MET 90 Cb 1.09 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.65 3a27 h MET 90 CO 0.10 0.29 -0.04 0.00 1.06 0.00 0.00 176.91 178.32 3a27 h ALA 91 N 1.71 0.48 -0.31 6.32 0.00 -1.34 -2.80 119.26 123.32 3a27 h ALA 91 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a27 h ALA 91 Cb 0.77 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3a27 h ALA 91 CO 0.04 -0.41 0.00 1.19 0.00 0.00 0.00 179.25 180.07 3a27 n PHE 92 N -5.30 0.83 0.51 0.00 3.72 -1.23 -2.48 117.46 113.51 3a27 n PHE 92 Ca 0.07 -0.74 0.13 0.00 -0.05 0.00 0.00 57.45 56.86 3a27 n PHE 92 Cb 0.30 -0.22 0.43 0.00 -0.94 0.00 0.00 39.48 39.05 3a27 n PHE 92 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3a27 h ILE 93 N 2.02 0.00 -3.47 4.37 6.09 -1.51 -3.46 117.51 121.55 3a27 h ILE 93 Ca 0.00 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3a27 h ILE 93 Cb 1.22 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.88 3a27 h ILE 93 CO 0.16 0.00 0.00 -0.24 -3.07 0.00 0.00 178.15 175.00 3a27 n SER 94 N -2.37 1.07 -3.75 2.19 2.88 -1.26 -5.12 113.62 107.26 3a27 n SER 94 Ca 0.04 -0.47 -0.08 0.00 -1.33 0.00 0.00 58.87 57.03 3a27 n SER 94 Cb 0.37 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 3a27 n SER 94 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3a27 s ASN 95 N -0.44 -0.31 0.00 -3.46 4.22 -1.25 -4.82 114.94 108.88 3a27 s ASN 95 Ca 0.00 -0.44 0.10 0.00 -2.14 0.00 0.00 52.86 50.38 3a27 s ASN 95 Cb 0.00 0.66 0.50 0.00 1.28 0.00 0.00 41.25 43.69 3a27 s ASN 95 CO 0.00 -1.20 1.21 -0.62 -2.04 0.00 0.00 177.10 174.46 3a27 n GLU 96 N -0.44 0.13 0.00 3.55 4.71 -1.16 -1.35 120.64 126.08 3a27 n GLU 96 Ca -0.07 0.20 0.13 0.00 -0.01 0.00 0.00 57.16 57.41 3a27 n GLU 96 Cb 0.60 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.81 3a27 n GLU 96 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3a27 n ASN 97 N -1.30 1.68 -4.87 1.62 5.03 -1.26 -3.47 115.26 112.69 3a27 n ASN 97 Ca 0.05 -1.35 -0.32 0.00 0.87 0.00 0.00 54.58 53.82 3a27 n ASN 97 Cb 0.08 0.17 -0.05 0.00 -1.02 0.00 0.00 39.78 38.96 3a27 n ASN 97 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3a27 s GLU 98 N -2.30 3.30 -0.17 3.52 2.02 -0.46 -4.81 118.70 119.80 3a27 s GLU 98 Ca 0.27 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 3a27 s GLU 98 Cb 0.19 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 3a27 s GLU 98 CO 0.46 0.63 -0.03 0.08 0.02 0.00 0.00 175.26 176.42 3a27 s VAL 99 N -1.39 3.92 -0.06 2.63 1.01 -1.26 -0.37 120.40 124.89 3a27 s VAL 99 Ca 0.30 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.00 3a27 s VAL 99 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3a27 s VAL 99 CO 0.22 0.48 -0.24 -0.69 0.00 0.00 0.00 175.10 174.87 3a27 s VAL 100 N 0.50 2.14 -0.19 2.92 1.01 0.54 -0.83 120.40 126.48 3a27 s VAL 100 Ca -0.03 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3a27 s VAL 100 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3a27 s VAL 100 CO 0.03 0.57 -0.01 -0.69 0.00 0.00 0.00 175.10 174.99 3a27 s VAL 101 N -0.17 3.88 -0.40 2.92 1.01 -0.24 -0.34 120.40 127.06 3a27 s VAL 101 Ca -0.03 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3a27 s VAL 101 Cb -0.14 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.54 3a27 s VAL 101 CO 0.04 0.44 0.25 -0.62 0.00 0.00 0.00 175.10 175.20 3a27 s ASP 102 N 0.94 5.81 0.40 3.32 -1.08 0.97 -1.09 116.67 125.95 3a27 s ASP 102 Ca 0.01 -1.13 0.22 0.00 -0.52 0.00 0.00 52.55 51.13 3a27 s ASP 102 Cb -0.14 -2.05 0.38 0.00 -1.46 0.00 0.00 42.92 39.65 3a27 s ASP 102 CO 0.02 -0.46 1.61 0.24 0.52 0.00 0.00 175.17 177.10 3a27 h MET 103 N 8.49 0.00 -2.09 4.34 2.86 -1.59 -0.62 114.93 126.32 3a27 h MET 103 Ca -0.25 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.82 3a27 h MET 103 Cb 1.10 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.36 3a27 h MET 103 CO 0.72 0.16 -0.91 1.19 1.06 0.00 0.00 176.91 179.13 3a27 n PHE 104 N -3.15 1.48 0.15 -0.22 3.01 -1.24 -4.62 117.46 112.87 3a27 n PHE 104 Ca 0.03 -3.84 0.01 0.00 1.01 0.00 0.00 57.45 54.66 3a27 n PHE 104 Cb 0.56 -0.44 0.23 0.00 -0.01 0.00 0.00 39.48 39.82 3a27 n PHE 104 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a27 h ALA 105 N 3.80 0.99 -1.00 4.37 0.00 -0.73 -3.45 119.26 123.25 3a27 h ALA 105 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3a27 h ALA 105 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3a27 h ALA 105 CO 0.63 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.95 3a27 n GLY 106 N 0.23 3.21 0.38 0.00 0.00 -1.26 -1.53 105.19 106.23 3a27 n GLY 106 Ca -0.01 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3a27 n GLY 106 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a27 n ILE 107 N 0.00 0.07 0.00 -0.61 -5.35 -1.26 -4.34 119.36 107.87 3a27 n ILE 107 Ca 0.00 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3a27 n ILE 107 Cb 0.00 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3a27 n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a27 n GLY 108 N 1.09 1.99 0.33 3.28 0.00 -0.58 -4.06 105.19 107.24 3a27 n GLY 108 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3a27 n GLY 108 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3a27 h TYR 109 N 0.00 0.85 0.00 1.61 -1.99 -1.90 -1.10 116.97 114.44 3a27 h TYR 109 Ca 0.00 0.04 -0.29 0.00 2.00 0.00 0.00 58.73 60.48 3a27 h TYR 109 Cb 0.00 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 38.44 3a27 h TYR 109 CO 0.00 0.14 -2.10 1.19 -0.00 0.00 0.00 178.16 177.39 3a27 n PHE 110 N -4.88 0.00 -0.21 4.88 0.99 -1.26 -4.51 117.46 112.47 3a27 n PHE 110 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.60 3a27 n PHE 110 Cb 0.55 -0.75 0.05 0.00 -1.00 0.00 0.00 39.48 38.32 3a27 n PHE 110 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3a27 h THR 111 N 0.00 1.12 0.33 4.37 2.02 -1.84 -1.79 112.91 117.11 3a27 h THR 111 Ca -0.43 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 3a27 h THR 111 Cb 1.71 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3a27 h THR 111 CO -0.05 0.14 -0.16 0.40 0.37 0.00 0.00 175.52 176.22 3a27 h ILE 112 N 0.78 0.62 -0.57 3.11 1.08 -1.45 0.63 117.51 121.71 3a27 h ILE 112 Ca 0.23 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 3a27 h ILE 112 Cb -0.04 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3a27 h ILE 112 CO -0.07 0.11 0.35 -0.65 -0.69 0.00 0.00 178.15 177.20 3a27 h PRO 113 N -0.83 0.67 -0.25 2.37 0.11 -1.76 -0.96 132.00 131.35 3a27 h PRO 113 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3a27 h PRO 113 Cb 0.52 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3a27 h PRO 113 CO 0.07 0.44 0.16 1.25 -0.21 0.00 0.00 178.00 179.72 3a27 h LEU 114 N 0.69 0.29 -1.39 2.35 6.46 -1.29 0.92 115.31 123.34 3a27 h LEU 114 Ca 0.23 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 3a27 h LEU 114 Cb 0.02 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 3a27 h LEU 114 CO -0.10 0.22 0.10 0.00 -0.62 0.00 0.00 178.44 178.05 3a27 h ALA 115 N 1.08 1.52 0.10 1.25 0.00 -0.62 -0.17 119.26 122.41 3a27 h ALA 115 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3a27 h ALA 115 Cb -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a27 h ALA 115 CO -0.02 0.36 -0.61 -0.22 0.00 0.00 0.00 179.25 178.76 3a27 h LYS 116 N 0.50 0.24 0.00 0.00 3.64 -0.75 -3.15 116.57 117.06 3a27 h LYS 116 Ca 0.12 -0.39 -0.27 0.00 -1.27 0.00 0.00 60.65 58.84 3a27 h LYS 116 Cb 0.17 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3a27 h LYS 116 CO -0.01 1.17 -1.95 0.66 -2.27 0.00 0.00 179.45 177.06 3a27 n TYR 117 N -4.25 0.49 0.08 1.91 4.01 0.28 -4.18 117.16 115.50 3a27 n TYR 117 Ca -0.13 0.17 0.10 0.00 -0.16 0.00 0.00 57.90 57.89 3a27 n TYR 117 Cb 0.73 -1.02 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 3a27 n TYR 117 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3a27 n SER 118 N -2.81 0.72 -4.11 7.72 7.64 -0.08 -4.83 113.62 117.86 3a27 n SER 118 Ca -0.21 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 3a27 n SER 118 Cb 1.00 0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 64.85 3a27 n SER 118 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3a27 n LYS 119 N -2.64 -0.53 -1.04 1.43 0.00 -1.18 -2.98 118.16 111.22 3a27 n LYS 119 Ca -0.02 0.10 -0.30 0.00 -0.00 0.00 0.00 58.31 58.10 3a27 n LYS 119 Cb 0.58 -2.89 0.16 0.00 -0.00 0.00 0.00 35.03 32.89 3a27 n LYS 119 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3a27 s PRO 120 N -7.34 0.79 0.15 -1.58 0.04 -1.25 -3.50 135.00 122.31 3a27 s PRO 120 Ca 0.37 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 62.11 3a27 s PRO 120 Cb -0.20 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3a27 s PRO 120 CO 0.97 -2.57 1.72 0.87 0.04 0.00 0.00 177.00 178.02 3a27 h LYS 121 N -1.79 0.11 -2.27 4.56 1.57 -0.73 -3.45 116.57 114.56 3a27 h LYS 121 Ca -0.51 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 3a27 h LYS 121 Cb 1.29 -0.02 -0.22 0.00 0.08 0.00 0.00 32.23 33.36 3a27 h LYS 121 CO 0.53 0.07 -0.01 -1.17 -0.57 0.00 0.00 179.45 178.30 3a27 s LEU 122 N -10.41 -0.33 -0.14 2.94 2.96 -1.21 -4.73 118.68 107.77 3a27 s LEU 122 Ca -0.13 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 3a27 s LEU 122 Cb 0.12 2.08 0.02 0.00 0.50 0.00 0.00 46.19 48.90 3a27 s LEU 122 CO 0.70 -0.21 -0.18 0.54 -1.32 0.00 0.00 176.35 175.88 3a27 s VAL 123 N 0.35 1.79 -0.24 1.68 0.11 0.16 -0.34 120.40 123.90 3a27 s VAL 123 Ca -0.00 -0.79 -0.25 0.00 -2.93 0.00 0.00 61.98 58.01 3a27 s VAL 123 Cb -0.04 -1.62 -0.00 0.00 -1.53 0.00 0.00 36.38 33.18 3a27 s VAL 123 CO 0.00 0.50 0.84 -0.31 -3.33 0.00 0.00 175.10 172.80 3a27 s TYR 124 N 1.12 3.31 -0.39 1.54 1.51 0.54 -1.60 117.35 123.38 3a27 s TYR 124 Ca -0.02 1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 57.14 3a27 s TYR 124 Cb -0.14 -3.07 0.09 0.00 -0.11 0.00 0.00 41.96 38.73 3a27 s TYR 124 CO -0.06 -0.41 0.18 0.00 -1.11 0.00 0.00 175.55 174.15 3a27 s ALA 125 N 2.86 3.13 -0.14 3.71 0.00 -0.62 -0.02 121.76 130.68 3a27 s ALA 125 Ca 0.35 -2.32 -0.14 0.00 0.00 0.00 0.00 51.96 49.85 3a27 s ALA 125 Cb -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 3a27 s ALA 125 CO 0.07 -1.68 0.32 0.42 0.00 0.00 0.00 175.76 174.90 3a27 s ILE 126 N 1.23 5.28 -0.08 0.00 1.01 -0.24 -0.46 121.20 127.94 3a27 s ILE 126 Ca 0.05 0.62 -0.03 0.00 0.00 0.00 0.00 60.65 61.28 3a27 s ILE 126 Cb -0.22 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3a27 s ILE 126 CO -0.02 0.40 0.17 -0.70 0.00 0.00 0.00 174.94 174.79 3a27 s GLU 127 N 0.33 0.11 0.01 2.79 2.56 -0.59 -0.19 118.70 123.72 3a27 s GLU 127 Ca 0.18 0.42 0.11 0.00 0.00 0.00 0.00 54.97 55.69 3a27 s GLU 127 Cb -0.13 -0.17 -0.21 0.00 2.00 0.00 0.00 34.13 35.61 3a27 s GLU 127 CO 0.05 -0.17 0.85 -0.22 -0.56 0.00 0.00 175.26 175.21 3a27 h LYS 128 N 7.31 0.00 -5.81 4.30 3.64 -1.80 -1.90 116.57 122.31 3a27 h LYS 128 Ca -0.41 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.38 3a27 h LYS 128 Cb 1.14 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 3a27 h LYS 128 CO 0.40 0.61 0.36 1.21 -2.27 0.00 0.00 179.45 179.76 3a27 s ASN 129 N -6.24 6.84 0.34 4.20 2.47 -1.26 -4.58 114.94 116.69 3a27 s ASN 129 Ca -0.03 1.03 0.01 0.00 0.42 0.00 0.00 52.86 54.30 3a27 s ASN 129 Cb 0.09 -2.42 0.59 0.00 -1.45 0.00 0.00 41.25 38.06 3a27 s ASN 129 CO 0.82 -0.42 1.99 -0.65 -3.72 0.00 0.00 177.10 175.12 3a27 h PRO 130 N 7.52 0.90 -0.05 0.43 0.11 -1.98 0.15 132.00 139.07 3a27 h PRO 130 Ca -0.27 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3a27 h PRO 130 Cb 1.12 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3a27 h PRO 130 CO 0.83 0.60 -0.02 1.15 -0.21 0.00 0.00 178.00 180.35 3a27 h THR 131 N 0.93 1.31 -0.72 -1.15 2.02 -2.00 -1.10 112.91 112.20 3a27 h THR 131 Ca 0.27 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 3a27 h THR 131 Cb -0.04 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3a27 h THR 131 CO -0.07 0.26 0.26 0.00 0.37 0.00 0.00 175.52 176.34 3a27 h ALA 132 N 0.64 1.11 -0.91 6.16 0.00 -1.84 -2.15 119.26 122.27 3a27 h ALA 132 Ca 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3a27 h ALA 132 Cb 0.42 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3a27 h ALA 132 CO 0.01 0.63 0.58 -0.92 0.00 0.00 0.00 179.25 179.54 3a27 h TYR 133 N 1.05 1.08 -0.29 0.00 3.20 -0.68 0.21 116.97 121.54 3a27 h TYR 133 Ca 0.24 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.19 3a27 h TYR 133 Cb 0.24 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 3a27 h TYR 133 CO 0.02 0.58 -0.07 1.25 -1.64 0.00 0.00 178.16 178.30 3a27 h HIS 134 N 1.08 -0.14 -0.16 -3.82 2.76 -0.52 -0.89 115.15 113.46 3a27 h HIS 134 Ca 0.39 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.44 3a27 h HIS 134 Cb 0.11 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3a27 h HIS 134 CO -0.02 -0.12 -0.49 1.88 -1.30 0.00 0.00 177.93 177.89 3a27 h TYR 135 N 0.01 0.53 -0.68 5.26 0.05 -1.22 -1.54 116.97 119.37 3a27 h TYR 135 Ca 0.14 -0.17 0.11 0.00 0.05 0.00 0.00 58.73 58.85 3a27 h TYR 135 Cb 0.21 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 3a27 h TYR 135 CO -0.27 0.84 0.30 1.25 -1.05 0.00 0.00 178.16 179.22 3a27 h LEU 136 N 0.34 0.33 0.23 3.88 6.46 -0.61 0.10 115.31 126.05 3a27 h LEU 136 Ca 0.02 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3a27 h LEU 136 Cb 0.98 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 3a27 h LEU 136 CO 0.09 0.18 -0.11 0.00 -0.62 0.00 0.00 178.44 177.97 3a27 h GLU 138 N -0.44 0.91 -0.10 0.00 4.39 -1.04 -2.90 114.58 115.39 3a27 h GLU 138 Ca -0.03 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.44 3a27 h GLU 138 Cb 0.34 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3a27 h GLU 138 CO 0.05 0.60 -0.67 -0.91 -1.16 0.00 0.00 179.01 176.92 3a27 h ASN 139 N 0.93 0.49 -0.44 1.42 2.35 -0.53 0.30 115.58 120.10 3a27 h ASN 139 Ca 0.50 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3a27 h ASN 139 Cb 0.57 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 3a27 h ASN 139 CO -0.27 1.02 0.27 0.40 -1.65 0.00 0.00 177.43 177.20 3a27 h ILE 140 N 0.30 1.08 -0.05 2.81 2.04 -1.23 -1.09 117.51 121.37 3a27 h ILE 140 Ca -0.02 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3a27 h ILE 140 Cb 1.23 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3a27 h ILE 140 CO 0.12 0.10 0.01 0.11 0.00 0.00 0.00 178.15 178.49 3a27 h LYS 141 N 0.56 0.08 -0.93 2.37 1.79 -1.28 -1.55 116.57 117.61 3a27 h LYS 141 Ca 0.17 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.73 3a27 h LYS 141 Cb -0.03 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.53 3a27 h LYS 141 CO -0.06 0.31 0.56 -0.07 -1.08 0.00 0.00 179.45 179.11 3a27 h LEU 142 N -0.16 0.81 -0.94 2.94 3.38 -0.31 0.36 115.31 121.38 3a27 h LEU 142 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a27 h LEU 142 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a27 h LEU 142 CO 0.00 0.44 0.00 0.59 0.09 0.00 0.00 178.44 179.56 3a27 n ASN 143 N -4.68 1.40 -3.82 -0.43 4.13 -0.42 -4.93 115.26 106.51 3a27 n ASN 143 Ca 0.17 -1.77 -0.28 0.00 1.68 0.00 0.00 54.58 54.38 3a27 n ASN 143 Cb 0.33 -0.12 0.04 0.00 -1.54 0.00 0.00 39.78 38.48 3a27 n ASN 143 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3a27 n LYS 144 N 0.18 -5.85 -3.20 3.52 5.02 0.11 -4.94 118.16 113.01 3a27 n LYS 144 Ca 0.14 0.64 -0.39 0.00 -2.02 0.00 0.00 58.31 56.68 3a27 n LYS 144 Cb 0.26 -5.51 -0.06 0.00 -0.02 0.00 0.00 35.03 29.71 3a27 n LYS 144 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a27 s LEU 145 N -7.17 4.47 0.00 -0.35 1.43 -0.65 -4.95 118.68 111.45 3a27 s LEU 145 Ca 0.53 1.25 0.07 0.00 -1.03 0.00 0.00 54.13 54.94 3a27 s LEU 145 Cb -0.26 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.10 3a27 s LEU 145 CO 0.81 0.16 0.87 0.59 0.23 0.00 0.00 176.35 179.01 3a27 n ASN 146 N 2.33 1.92 -0.78 2.29 3.02 -1.26 -4.60 115.26 118.19 3a27 n ASN 146 Ca -0.08 -1.54 0.03 0.00 -0.03 0.00 0.00 54.58 52.96 3a27 n ASN 146 Cb 0.51 -0.05 0.20 0.00 -0.61 0.00 0.00 39.78 39.83 3a27 n ASN 146 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3a27 n ASN 147 N 0.27 2.39 -4.02 6.41 6.94 -1.26 -4.99 115.26 121.01 3a27 n ASN 147 Ca 0.05 -3.61 -0.24 0.00 -0.02 0.00 0.00 54.58 50.75 3a27 n ASN 147 Cb 0.24 -0.56 -0.17 0.00 -2.36 0.00 0.00 39.78 36.93 3a27 n ASN 147 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3a27 s VAL 148 N -3.13 1.09 -0.30 3.53 1.01 -1.26 -0.67 120.40 120.67 3a27 s VAL 148 Ca 0.40 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3a27 s VAL 148 Cb 0.37 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.82 3a27 s VAL 148 CO -0.01 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 174.77 3a27 s ILE 149 N 0.66 2.35 0.27 2.22 1.01 -0.63 -4.97 121.20 122.11 3a27 s ILE 149 Ca -0.14 -1.85 -0.29 0.00 0.00 0.00 0.00 60.65 58.38 3a27 s ILE 149 Cb -0.16 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 3a27 s ILE 149 CO 0.03 -0.24 1.00 -2.16 0.00 0.00 0.00 174.94 173.57 3a27 s PRO 150 N 1.06 4.70 -0.11 2.79 0.05 -1.26 -1.59 135.00 140.64 3a27 s PRO 150 Ca -0.02 1.57 0.00 0.00 0.05 0.00 0.00 61.00 62.61 3a27 s PRO 150 Cb -0.20 -3.13 0.02 0.00 0.05 0.00 0.00 34.50 31.24 3a27 s PRO 150 CO -0.05 0.34 -0.10 0.42 0.05 0.00 0.00 177.00 177.66 3a27 s ILE 151 N -1.27 1.13 -0.61 0.56 1.01 0.39 -4.89 121.20 117.51 3a27 s ILE 151 Ca 0.44 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 3a27 s ILE 151 Cb -0.27 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.18 3a27 s ILE 151 CO 0.33 0.38 0.86 -0.22 0.00 0.00 0.00 174.94 176.30 3a27 s LEU 152 N 1.41 4.61 -0.19 2.97 2.96 -1.26 -1.53 118.68 127.65 3a27 s LEU 152 Ca -0.00 -0.97 -0.35 0.00 -0.22 0.00 0.00 54.13 52.59 3a27 s LEU 152 Cb -0.13 -2.46 0.14 0.00 0.50 0.00 0.00 46.19 44.23 3a27 s LEU 152 CO -0.05 -1.27 1.22 0.00 -1.32 0.00 0.00 176.35 174.92 3a27 s ALA 153 N 3.59 -2.08 0.03 5.97 0.00 -0.71 -4.97 121.76 123.58 3a27 s ALA 153 Ca 0.20 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 3a27 s ALA 153 Cb -0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 3a27 s ALA 153 CO 0.11 -0.61 1.40 0.34 0.00 0.00 0.00 175.76 177.00 3a27 s ASP 154 N -2.20 6.85 0.60 0.00 -1.08 -1.26 -2.73 116.67 116.85 3a27 s ASP 154 Ca 0.10 2.17 0.30 0.00 -0.52 0.00 0.00 52.55 54.59 3a27 s ASP 154 Cb -0.01 -2.57 1.70 0.00 -1.46 0.00 0.00 42.92 40.58 3a27 s ASP 154 CO -0.05 -0.70 2.09 -0.55 0.52 0.00 0.00 175.17 176.48 3a27 h ASN 155 N 7.60 0.00 0.70 -0.34 7.08 -1.94 0.22 115.58 128.90 3a27 h ASN 155 Ca -0.39 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.83 3a27 h ASN 155 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 3a27 h ASN 155 CO 0.89 0.00 0.00 0.03 -2.08 0.00 0.00 177.43 176.27 3a27 h ARG 156 N 0.00 0.00 0.00 4.14 3.08 -1.96 -2.40 114.38 117.25 3a27 h ARG 156 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3a27 h ARG 156 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3a27 h ARG 156 CO -0.00 0.00 -1.17 -0.25 -1.07 0.00 0.00 179.97 177.48 3a27 n ASP 157 N -2.36 0.72 -4.76 7.04 8.00 0.77 -4.94 116.55 121.03 3a27 n ASP 157 Ca 0.02 -0.66 -0.40 0.00 0.71 0.00 0.00 54.79 54.46 3a27 n ASP 157 Cb 0.22 1.13 -0.05 0.00 -0.02 0.00 0.00 41.12 42.40 3a27 n ASP 157 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a27 s VAL 158 N -3.13 3.64 -0.55 2.53 1.01 -0.90 -5.01 120.40 117.99 3a27 s VAL 158 Ca 0.04 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.66 3a27 s VAL 158 Cb 0.15 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 32.66 3a27 s VAL 158 CO 0.86 0.36 0.31 -1.83 0.00 0.00 0.00 175.10 174.79 3a27 s GLU 159 N -1.49 2.13 -0.59 2.72 -1.05 -1.26 -4.99 118.70 114.17 3a27 s GLU 159 Ca 0.45 -2.60 0.05 0.00 -0.15 0.00 0.00 54.97 52.72 3a27 s GLU 159 Cb -0.30 -3.43 0.17 0.00 -0.44 0.00 0.00 34.13 30.14 3a27 s GLU 159 CO 0.38 -1.12 0.44 1.28 0.95 0.00 0.00 175.26 177.18 3a27 n LEU 160 N 3.21 1.60 -4.69 1.83 4.77 -1.26 -5.11 117.00 117.36 3a27 n LEU 160 Ca 0.06 -4.87 -0.42 0.00 -0.03 0.00 0.00 56.01 50.74 3a27 n LEU 160 Cb 0.34 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3a27 n LEU 160 CO 0.34 1.80 1.08 -0.54 -1.33 0.00 0.00 177.39 178.74 3a27 s LYS 161 N -0.86 4.30 -1.41 3.23 -0.14 -1.26 -3.98 119.74 119.61 3a27 s LYS 161 Ca 0.28 1.90 -0.05 0.00 -1.36 0.00 0.00 55.97 56.74 3a27 s LYS 161 Cb -0.01 -3.57 0.03 0.00 -1.68 0.00 0.00 37.83 32.61 3a27 s LYS 161 CO -0.18 -0.55 0.77 -0.25 -0.76 0.00 0.00 175.35 174.38 3a27 n ASP 162 N 5.33 -2.37 -0.00 2.83 10.43 -0.15 -4.88 116.55 127.73 3a27 n ASP 162 Ca 0.13 -0.83 0.03 0.00 2.57 0.00 0.00 54.79 56.68 3a27 n ASP 162 Cb 0.44 -3.84 -0.04 0.00 1.84 0.00 0.00 41.12 39.53 3a27 n ASP 162 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 3a27 n VAL 163 N -4.44 0.00 -3.58 2.53 0.24 0.19 -4.57 118.33 108.70 3a27 n VAL 163 Ca -0.17 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.34 61.55 3a27 n VAL 163 Cb 0.62 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.52 3a27 n VAL 163 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a27 s ALA 164 N -2.04 3.61 -0.11 2.33 0.00 0.16 -4.67 121.76 121.05 3a27 s ALA 164 Ca -0.01 -0.62 0.14 0.00 0.00 0.00 0.00 51.96 51.47 3a27 s ALA 164 Cb 0.04 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.79 3a27 s ALA 164 CO 0.21 -0.03 1.39 -0.44 0.00 0.00 0.00 175.76 176.89 3a27 h ASP 165 N 7.01 0.00 -3.47 0.00 3.32 -1.28 0.21 116.42 122.22 3a27 h ASP 165 Ca -0.39 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.52 3a27 h ASP 165 Cb 1.16 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 3a27 h ASP 165 CO 0.73 0.59 -0.33 -0.60 -1.72 0.00 0.00 179.24 177.91 3a27 s ARG 166 N -2.91 0.36 -0.06 3.56 3.52 -1.18 -1.59 118.95 120.65 3a27 s ARG 166 Ca 0.03 0.64 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 3a27 s ARG 166 Cb 0.08 0.03 -0.00 0.00 -1.56 0.00 0.00 34.95 33.50 3a27 s ARG 166 CO 0.76 -0.12 -0.19 0.08 -0.81 0.00 0.00 175.30 175.02 3a27 s VAL 167 N 0.96 1.63 -0.16 7.11 1.01 -0.48 -1.08 120.40 129.39 3a27 s VAL 167 Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3a27 s VAL 167 Cb -0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3a27 s VAL 167 CO -0.07 0.46 -0.02 -0.63 0.00 0.00 0.00 175.10 174.84 3a27 s ILE 168 N 0.18 4.07 -0.60 2.22 1.09 -0.25 -0.49 121.20 127.43 3a27 s ILE 168 Ca -0.09 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.22 3a27 s ILE 168 Cb -0.14 -2.79 0.31 0.00 -1.06 0.00 0.00 42.46 38.77 3a27 s ILE 168 CO 0.04 0.49 0.88 0.23 -0.10 0.00 0.00 174.94 176.48 3a27 n MET 169 N 3.51 2.99 -1.83 2.79 2.81 0.21 -1.73 117.12 125.87 3a27 n MET 169 Ca -0.17 -4.80 -0.41 0.00 -1.81 0.00 0.00 57.70 50.51 3a27 n MET 169 Cb 0.52 -2.25 -0.02 0.00 -0.71 0.00 0.00 33.22 30.76 3a27 n MET 169 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a27 n GLY 170 N 0.14 3.02 3.39 3.03 0.00 -1.26 -3.13 105.19 110.38 3a27 n GLY 170 Ca 0.31 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3a27 n GLY 170 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a27 s TYR 171 N 5.05 -0.50 -0.10 1.61 5.04 -1.26 -4.85 117.35 122.34 3a27 s TYR 171 Ca 0.54 1.09 0.12 0.00 -2.44 0.00 0.00 57.07 56.38 3a27 s TYR 171 Cb 0.10 0.21 0.19 0.00 0.35 0.00 0.00 41.96 42.80 3a27 s TYR 171 CO 0.04 -0.35 1.10 1.33 -1.34 0.00 0.00 175.55 176.33 3a27 n VAL 172 N 2.15 1.55 -3.66 3.14 0.24 -1.26 -4.44 118.33 116.04 3a27 n VAL 172 Ca -0.16 -1.75 -0.39 0.00 -2.04 0.00 0.00 64.34 60.00 3a27 n VAL 172 Cb 0.56 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.89 3a27 n VAL 172 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3a27 s HIS 173 N -2.13 3.46 -1.53 6.34 3.76 -1.26 -4.51 115.29 119.42 3a27 s HIS 173 Ca 0.20 -2.00 -0.03 0.00 -0.15 0.00 0.00 55.06 53.08 3a27 s HIS 173 Cb 0.17 -3.22 0.03 0.00 1.11 0.00 0.00 32.58 30.67 3a27 s HIS 173 CO 0.02 -0.95 0.22 1.63 -0.85 0.00 0.00 174.74 174.82 3a27 n LYS 174 N 4.78 -1.83 -0.22 1.40 5.02 -1.26 -4.84 118.16 121.21 3a27 n LYS 174 Ca -0.06 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 3a27 n LYS 174 Cb 0.42 -4.06 0.41 0.00 -0.02 0.00 0.00 35.03 31.77 3a27 n LYS 174 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3a27 h THR 175 N -1.73 0.86 -0.35 -0.18 2.02 -1.83 -1.36 112.91 110.35 3a27 h THR 175 Ca -0.64 -0.22 0.10 0.00 0.77 0.00 0.00 66.41 66.42 3a27 h THR 175 Cb 1.39 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3a27 h THR 175 CO 0.70 0.11 0.27 1.12 0.37 0.00 0.00 175.52 178.09 3a27 h HIS 176 N 0.63 0.00 0.00 3.16 2.07 -1.88 -0.11 115.15 119.02 3a27 h HIS 176 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 3a27 h HIS 176 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3a27 h HIS 176 CO -0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 3a27 n LYS 177 N -4.33 0.10 0.00 5.12 4.76 -0.51 -1.71 118.16 121.59 3a27 n LYS 177 Ca 0.05 0.47 0.11 0.00 -2.87 0.00 0.00 58.31 56.07 3a27 n LYS 177 Cb 0.44 -1.75 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 3a27 n LYS 177 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3a27 n PHE 178 N -1.95 0.00 0.17 2.13 3.72 -0.05 -4.52 117.46 116.95 3a27 n PHE 178 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.43 3a27 n PHE 178 Cb 0.12 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.02 3a27 n PHE 178 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3a27 h LEU 179 N 2.74 0.07 -0.78 4.37 4.07 -1.41 -2.00 115.31 122.37 3a27 h LEU 179 Ca 0.00 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.02 3a27 h LEU 179 Cb 0.76 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.41 3a27 h LEU 179 CO 0.00 0.38 0.44 0.44 -1.08 0.00 0.00 178.44 178.62 3a27 h ASP 180 N 0.07 0.63 -0.15 -0.43 3.45 -1.79 -0.29 116.42 117.91 3a27 h ASP 180 Ca 0.01 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.44 3a27 h ASP 180 Cb 0.58 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3a27 h ASP 180 CO 0.04 0.37 -0.20 0.50 -1.57 0.00 0.00 179.24 178.39 3a27 h LYS 181 N 0.75 0.39 -0.34 3.56 1.63 -1.71 -2.83 116.57 118.02 3a27 h LYS 181 Ca 0.37 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3a27 h LYS 181 Cb 0.31 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3a27 h LYS 181 CO -0.23 0.80 0.22 0.00 -3.45 0.00 0.00 179.45 176.79 3a27 h THR 182 N 0.01 1.09 0.00 1.00 1.03 -0.90 0.44 112.91 115.58 3a27 h THR 182 Ca 0.02 -0.19 -0.08 0.00 -0.01 0.00 0.00 66.41 66.15 3a27 h THR 182 Cb 0.75 0.60 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 3a27 h THR 182 CO 0.05 0.09 -0.37 -0.26 -0.01 0.00 0.00 175.52 175.02 3a27 h PHE 183 N 0.47 0.00 -0.18 0.00 0.04 -1.04 -2.02 116.94 114.20 3a27 h PHE 183 Ca 0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3a27 h PHE 183 Cb -0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3a27 h PHE 183 CO 0.00 0.37 0.03 0.93 -0.60 0.00 0.00 178.31 179.05 3a27 h GLU 184 N 0.00 0.29 -0.92 1.51 5.08 -0.69 -3.17 114.58 116.67 3a27 h GLU 184 Ca -0.00 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3a27 h GLU 184 Cb 0.73 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 3a27 h GLU 184 CO 0.05 0.44 0.59 0.74 -1.00 0.00 0.00 179.01 179.83 3a27 h PHE 185 N 0.09 1.09 -3.94 4.33 0.05 -1.01 -0.38 116.94 117.17 3a27 h PHE 185 Ca 0.05 0.03 -0.56 0.00 3.82 0.00 0.00 57.97 61.32 3a27 h PHE 185 Cb 0.29 -0.36 0.14 0.00 2.00 0.00 0.00 35.95 38.02 3a27 h PHE 185 CO 0.01 0.58 0.56 -0.11 -0.18 0.00 0.00 178.31 179.18 3a27 n LEU 186 N -4.55 5.26 0.00 1.54 7.94 -0.79 -0.64 117.00 125.77 3a27 n LEU 186 Ca 0.13 0.98 -0.13 0.00 -1.11 0.00 0.00 56.01 55.88 3a27 n LEU 186 Cb 0.15 -1.56 0.10 0.00 0.53 0.00 0.00 43.42 42.64 3a27 n LEU 186 CO 0.32 -0.68 0.35 0.29 -1.11 0.00 0.00 177.39 176.57 3a27 n LYS 187 N -0.91 -0.98 -0.05 1.96 5.02 0.75 -3.78 118.16 120.16 3a27 n LYS 187 Ca 0.10 -0.86 0.21 0.00 -2.02 0.00 0.00 58.31 55.74 3a27 n LYS 187 Cb 0.44 -0.64 0.68 0.00 -0.02 0.00 0.00 35.03 35.49 3a27 n LYS 187 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3a27 h ASP 188 N -1.06 0.04 -3.73 4.39 3.32 -1.89 -3.41 116.42 114.09 3a27 h ASP 188 Ca -0.19 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.64 3a27 h ASP 188 Cb 0.53 -0.01 -0.28 0.00 0.22 0.00 0.00 39.33 39.79 3a27 h ASP 188 CO 0.13 0.02 -0.68 -0.60 -1.72 0.00 0.00 179.24 176.39 3a27 s ARG 189 N -5.05 0.04 0.00 3.56 3.52 -1.26 -1.23 118.95 118.53 3a27 s ARG 189 Ca -0.05 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 3a27 s ARG 189 Cb 0.20 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 3a27 s ARG 189 CO 0.74 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 3a27 n GLY 190 N 3.13 -0.44 3.31 8.12 0.00 -0.73 -4.74 105.19 113.84 3a27 n GLY 190 Ca -0.13 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 3a27 n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a27 s VAL 191 N -2.00 1.99 -0.09 1.61 0.11 -0.62 -0.66 120.40 120.74 3a27 s VAL 191 Ca 0.00 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 57.78 3a27 s VAL 191 Cb 0.00 -1.70 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 3a27 s VAL 191 CO 0.00 0.36 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.37 3a27 s ILE 192 N -0.76 3.15 -0.52 7.04 1.01 0.26 -1.38 121.20 130.00 3a27 s ILE 192 Ca 0.10 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3a27 s ILE 192 Cb -0.10 -2.29 0.13 0.00 0.01 0.00 0.00 42.46 40.22 3a27 s ILE 192 CO 0.01 0.56 0.46 -1.00 0.00 0.00 0.00 174.94 174.97 3a27 s HIS 193 N -0.20 3.32 -0.26 3.97 3.76 0.36 -1.47 115.29 124.76 3a27 s HIS 193 Ca 0.01 -1.49 -0.09 0.00 -0.15 0.00 0.00 55.06 53.33 3a27 s HIS 193 Cb -0.13 -3.70 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 3a27 s HIS 193 CO 0.03 -1.01 0.12 -0.47 -0.85 0.00 0.00 174.74 172.56 3a27 s TYR 194 N 1.49 3.15 0.01 1.40 5.04 -0.10 -0.62 117.35 127.73 3a27 s TYR 194 Ca 0.04 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.47 3a27 s TYR 194 Cb -0.28 -2.29 -0.04 0.00 0.35 0.00 0.00 41.96 39.70 3a27 s TYR 194 CO 0.02 -0.24 0.20 -1.01 -1.34 0.00 0.00 175.55 173.18 3a27 s HIS 195 N 1.59 3.55 -0.02 4.97 3.76 -1.18 -0.35 115.29 127.60 3a27 s HIS 195 Ca 0.06 0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 55.09 3a27 s HIS 195 Cb -0.15 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.75 3a27 s HIS 195 CO 0.06 0.63 0.58 -2.00 -0.85 0.00 0.00 174.74 173.17 3a27 s GLU 196 N -2.01 0.99 -0.16 1.40 2.12 -0.84 -4.73 118.70 115.47 3a27 s GLU 196 Ca 0.29 0.08 -0.08 0.00 0.36 0.00 0.00 54.97 55.63 3a27 s GLU 196 Cb -0.13 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 3a27 s GLU 196 CO 0.20 -0.31 0.10 0.95 -0.54 0.00 0.00 175.26 175.65 3a27 s THR 197 N -1.46 5.15 -0.14 -1.70 -4.23 -1.26 -0.71 115.64 111.28 3a27 s THR 197 Ca -0.10 0.09 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 3a27 s THR 197 Cb -0.01 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.58 3a27 s THR 197 CO 0.07 0.52 0.46 0.54 -0.54 0.00 0.00 174.62 175.67 3a27 s VAL 198 N -0.19 0.01 0.42 2.29 0.11 0.08 -4.96 120.40 118.16 3a27 s VAL 198 Ca 0.09 -0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.81 3a27 s VAL 198 Cb -0.12 -0.67 -0.10 0.00 -1.53 0.00 0.00 36.38 33.96 3a27 s VAL 198 CO 0.01 -0.04 1.37 0.00 -3.33 0.00 0.00 175.10 173.11 3a27 n ALA 199 N 2.47 1.75 -0.24 1.54 0.00 -1.26 -0.83 120.51 123.93 3a27 n ALA 199 Ca -0.15 0.28 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3a27 n ALA 199 Cb 0.57 -2.34 0.36 0.00 0.00 0.00 0.00 19.45 18.04 3a27 n ALA 199 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3a27 h GLU 200 N 2.34 0.72 -0.36 0.00 4.81 -1.49 -2.25 114.58 118.35 3a27 h GLU 200 Ca -0.49 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3a27 h GLU 200 Cb 1.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3a27 h GLU 200 CO 0.61 0.47 0.24 0.87 -0.73 0.00 0.00 179.01 180.47 3a27 h LYS 201 N 0.74 0.47 -0.02 1.92 1.79 -1.90 -2.94 116.57 116.62 3a27 h LYS 201 Ca 0.40 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3a27 h LYS 201 Cb 0.52 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3a27 h LYS 201 CO -0.16 0.31 0.00 0.44 -1.08 0.00 0.00 179.45 178.96 3a27 n ILE 202 N -4.48 1.61 0.28 1.86 -0.00 -0.93 -4.77 119.36 112.93 3a27 n ILE 202 Ca 0.02 -1.83 0.13 0.00 -0.00 0.00 0.00 62.75 61.07 3a27 n ILE 202 Cb 0.07 0.01 0.80 0.00 -0.00 0.00 0.00 39.64 40.52 3a27 n ILE 202 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3a27 h MET 203 N 0.11 0.00 -0.42 6.28 -0.00 -1.23 0.60 114.93 120.27 3a27 h MET 203 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3a27 h MET 203 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 3a27 h MET 203 CO 0.01 0.03 0.00 0.66 -0.00 0.00 0.00 176.91 177.61 3a27 n TYR 204 N -4.00 0.54 0.03 -0.10 4.02 -1.26 -4.56 117.16 111.84 3a27 n TYR 204 Ca -0.03 -0.27 -0.00 0.00 -0.01 0.00 0.00 57.90 57.59 3a27 n TYR 204 Cb 0.12 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3a27 n TYR 204 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3a27 n GLU 205 N 1.30 0.01 -0.09 -0.72 2.13 0.04 -4.76 120.64 118.55 3a27 n GLU 205 Ca 0.19 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.95 3a27 n GLU 205 Cb 0.55 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 31.89 3a27 n GLU 205 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3a27 h ARG 206 N -0.01 0.21 -0.67 5.31 2.43 -1.37 -1.67 114.38 118.61 3a27 h ARG 206 Ca 0.00 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 3a27 h ARG 206 Cb 0.01 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3a27 h ARG 206 CO 0.00 0.14 0.45 -1.35 -1.51 0.00 0.00 179.97 177.70 3a27 h PRO 207 N 0.22 0.39 -0.00 0.20 0.11 -1.80 -1.44 132.00 129.67 3a27 h PRO 207 Ca 0.14 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 3a27 h PRO 207 Cb 0.13 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.16 3a27 h PRO 207 CO -0.16 0.26 -0.40 0.82 -0.21 0.00 0.00 178.00 178.31 3a27 h ILE 208 N 0.41 1.50 -0.38 4.15 1.08 -1.64 -2.16 117.51 120.46 3a27 h ILE 208 Ca 0.32 -2.01 -0.02 0.00 -0.39 0.00 0.00 64.86 62.75 3a27 h ILE 208 Cb 0.68 2.71 -0.02 0.00 -3.07 0.00 0.00 36.82 37.12 3a27 h ILE 208 CO -0.09 0.56 0.13 1.05 -0.69 0.00 0.00 178.15 179.12 3a27 h GLU 209 N -0.34 0.55 -0.13 2.37 4.11 -1.03 -1.20 114.58 118.91 3a27 h GLU 209 Ca -0.05 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 3a27 h GLU 209 Cb 1.14 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3a27 h GLU 209 CO 0.08 0.47 0.04 0.00 0.07 0.00 0.00 179.01 179.67 3a27 h ARG 210 N 0.54 0.20 -0.96 1.06 3.08 -1.25 -0.96 114.38 116.09 3a27 h ARG 210 Ca 0.13 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.21 3a27 h ARG 210 Cb 0.14 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 3a27 h ARG 210 CO -0.01 0.32 0.62 -0.07 -1.07 0.00 0.00 179.97 179.76 3a27 h LEU 211 N 0.04 0.97 -0.46 3.04 3.38 -1.01 -1.99 115.31 119.26 3a27 h LEU 211 Ca 0.04 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3a27 h LEU 211 Cb 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3a27 h LEU 211 CO -0.00 0.61 -0.59 0.11 0.09 0.00 0.00 178.44 178.66 3a27 h LYS 212 N 1.10 0.57 0.29 1.13 1.57 -1.02 0.48 116.57 120.69 3a27 h LYS 212 Ca 0.42 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3a27 h LYS 212 Cb 0.21 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3a27 h LYS 212 CO -0.17 0.99 -0.14 0.35 -0.57 0.00 0.00 179.45 179.91 3a27 h PHE 213 N 0.43 -0.37 -0.05 -1.35 3.04 -0.78 -2.09 116.94 115.78 3a27 h PHE 213 Ca -0.00 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.79 3a27 h PHE 213 Cb 1.15 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 3a27 h PHE 213 CO 0.05 -0.22 -0.66 1.88 -2.02 0.00 0.00 178.31 177.34 3a27 h TYR 214 N -0.40 0.25 0.34 0.41 -1.99 -1.34 -1.20 116.97 113.04 3a27 h TYR 214 Ca -0.04 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 3a27 h TYR 214 Cb 0.31 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.97 3a27 h TYR 214 CO -0.06 0.79 -0.42 0.00 -0.00 0.00 0.00 178.16 178.47 3a27 h ALA 215 N 1.18 -0.89 -0.52 3.88 0.00 -0.86 -1.22 119.26 120.84 3a27 h ALA 215 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3a27 h ALA 215 Cb 1.18 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 3a27 h ALA 215 CO 0.10 -1.05 0.29 1.49 0.00 0.00 0.00 179.25 180.08 3a27 h GLU 216 N -0.81 0.55 -1.00 0.00 4.81 -1.22 0.14 114.58 117.04 3a27 h GLU 216 Ca -0.02 -0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.40 3a27 h GLU 216 Cb 0.74 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.90 3a27 h GLU 216 CO -0.11 0.36 0.63 -0.22 -0.73 0.00 0.00 179.01 178.94 3a27 h LYS 217 N 0.56 0.52 -0.50 1.92 3.64 -1.03 -2.26 116.57 119.42 3a27 h LYS 217 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3a27 h LYS 217 Cb 0.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3a27 h LYS 217 CO -0.13 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 177.48 3a27 n ASN 218 N -4.69 3.36 0.00 4.20 3.02 0.01 -4.96 115.26 116.20 3a27 n ASN 218 Ca 0.24 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 3a27 n ASN 218 Cb 0.74 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3a27 n ASN 218 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a27 n GLY 219 N 1.03 0.57 3.61 7.41 0.00 -0.12 -4.99 105.19 112.71 3a27 n GLY 219 Ca 0.17 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 3a27 n GLY 219 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a27 s TYR 220 N -2.00 2.61 0.10 1.61 1.51 0.26 0.12 117.35 121.57 3a27 s TYR 220 Ca 0.00 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 3a27 s TYR 220 Cb 0.00 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 3a27 s TYR 220 CO 0.00 0.64 -0.17 -1.59 -1.11 0.00 0.00 175.55 173.31 3a27 s LYS 221 N -3.62 1.01 0.07 -0.62 -2.85 -0.57 -2.84 119.74 110.32 3a27 s LYS 221 Ca 0.31 -1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 3a27 s LYS 221 Cb -0.06 -1.12 -0.06 0.00 -2.06 0.00 0.00 37.83 34.54 3a27 s LYS 221 CO 0.19 0.25 1.15 -1.17 0.10 0.00 0.00 175.35 175.86 3a27 s LEU 222 N -1.97 4.39 -0.19 2.77 0.20 -1.26 -2.59 118.68 120.03 3a27 s LEU 222 Ca 0.04 1.97 -0.17 0.00 0.69 0.00 0.00 54.13 56.67 3a27 s LEU 222 Cb -0.09 -3.58 -0.07 0.00 -0.43 0.00 0.00 46.19 42.02 3a27 s LEU 222 CO 0.04 -0.39 -0.33 -0.38 -0.29 0.00 0.00 176.35 174.99 3a27 n ILE 223 N 3.65 1.50 -3.87 6.68 5.41 0.84 -4.97 119.36 128.59 3a27 n ILE 223 Ca 0.07 0.07 -0.09 0.00 1.00 0.00 0.00 62.75 63.80 3a27 n ILE 223 Cb 0.47 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.06 3a27 n ILE 223 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3a27 s ASP 224 N -6.12 -0.12 0.16 4.38 2.15 -1.23 -5.01 116.67 110.87 3a27 s ASP 224 Ca -0.29 -0.71 -0.21 0.00 0.43 0.00 0.00 52.55 51.77 3a27 s ASP 224 Cb 0.05 0.54 0.06 0.00 -0.30 0.00 0.00 42.92 43.27 3a27 s ASP 224 CO 0.42 -1.02 0.56 -0.72 -0.17 0.00 0.00 175.17 174.23 3a27 s TYR 225 N -3.94 -0.41 0.00 -5.34 -0.85 -1.26 -1.21 117.35 104.34 3a27 s TYR 225 Ca 0.15 0.16 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 3a27 s TYR 225 Cb 0.00 0.49 -0.00 0.00 0.38 0.00 0.00 41.96 42.83 3a27 s TYR 225 CO 0.01 -0.84 -0.02 -1.21 -1.52 0.00 0.00 175.55 171.96 3a27 s GLU 226 N -3.78 0.17 -0.18 -3.49 2.02 -0.23 -4.99 118.70 108.23 3a27 s GLU 226 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.89 3a27 s GLU 226 Cb -0.01 -0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.06 3a27 s GLU 226 CO -0.11 0.04 -0.05 0.08 0.02 0.00 0.00 175.26 175.24 3a27 s VAL 227 N -0.12 3.55 -0.00 2.63 1.01 -1.26 -0.90 120.40 125.31 3a27 s VAL 227 Ca -0.00 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3a27 s VAL 227 Cb -0.01 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3a27 s VAL 227 CO -0.00 0.47 -0.24 -0.13 0.00 0.00 0.00 175.10 175.20 3a27 s ARG 228 N 0.81 1.87 0.35 2.72 0.52 -0.34 -5.00 118.95 119.89 3a27 s ARG 228 Ca -0.02 -0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 54.06 3a27 s ARG 228 Cb -0.15 -1.86 -0.10 0.00 0.52 0.00 0.00 34.95 33.36 3a27 s ARG 228 CO 0.02 0.50 0.92 0.15 0.02 0.00 0.00 175.30 176.91 3a27 s LYS 229 N -0.71 4.41 -0.06 3.54 1.02 -1.26 -1.02 119.74 125.66 3a27 s LYS 229 Ca 0.09 1.19 -0.02 0.00 0.02 0.00 0.00 55.97 57.26 3a27 s LYS 229 Cb -0.09 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 3a27 s LYS 229 CO -0.00 0.17 -0.07 -0.89 -0.92 0.00 0.00 175.35 173.64 3a27 n ILE 230 N 0.11 0.34 -3.59 2.17 5.41 -0.13 -4.88 119.36 118.79 3a27 n ILE 230 Ca 0.03 -0.10 -0.09 0.00 1.00 0.00 0.00 62.75 63.60 3a27 n ILE 230 Cb 0.52 -1.34 -0.05 0.00 -0.71 0.00 0.00 39.64 38.06 3a27 n ILE 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3a27 s LYS 231 N -2.11 0.51 -0.00 0.38 -2.85 -1.20 -4.97 119.74 109.49 3a27 s LYS 231 Ca -0.08 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.70 3a27 s LYS 231 Cb 0.03 0.24 -0.08 0.00 -2.06 0.00 0.00 37.83 35.96 3a27 s LYS 231 CO 0.12 -0.16 1.87 0.21 0.10 0.00 0.00 175.35 177.49 3a27 s LYS 232 N -1.13 4.12 0.04 1.78 2.47 -1.26 -1.46 119.74 124.30 3a27 s LYS 232 Ca 0.00 2.45 0.18 0.00 -1.56 0.00 0.00 55.97 57.03 3a27 s LYS 232 Cb -0.01 -4.11 -0.15 0.00 -1.46 0.00 0.00 37.83 32.10 3a27 s LYS 232 CO -0.00 -0.96 0.75 0.98 0.16 0.00 0.00 175.35 176.28 3a27 n TYR 233 N 7.54 0.84 -3.61 4.03 9.36 0.22 -4.88 117.16 130.67 3a27 n TYR 233 Ca 0.19 0.28 -0.03 0.00 3.32 0.00 0.00 57.90 61.66 3a27 n TYR 233 Cb 0.42 -1.04 -0.01 0.00 -0.63 0.00 0.00 39.34 38.08 3a27 n TYR 233 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3a27 s ALA 234 N -2.95 -2.06 -0.38 2.98 0.00 -1.04 -5.01 121.76 113.30 3a27 s ALA 234 Ca -0.04 1.13 -0.39 0.00 0.00 0.00 0.00 51.96 52.67 3a27 s ALA 234 Cb 0.09 0.16 -0.14 0.00 0.00 0.00 0.00 23.12 23.22 3a27 s ALA 234 CO 0.82 -0.79 2.09 -2.30 0.00 0.00 0.00 175.76 175.58 3a27 n PRO 235 N -0.26 0.77 -0.45 0.00 -0.02 -1.26 -0.32 135.00 133.46 3a27 n PRO 235 Ca -0.04 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3a27 n PRO 235 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3a27 n PRO 235 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a27 n GLY 236 N 6.37 1.33 3.20 -1.23 0.00 -1.26 -5.02 105.19 108.57 3a27 n GLY 236 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 3a27 n GLY 236 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a27 s VAL 237 N -3.16 2.03 -0.10 1.61 1.01 0.56 -1.09 120.40 121.25 3a27 s VAL 237 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3a27 s VAL 237 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3a27 s VAL 237 CO 0.00 0.55 0.01 0.26 0.00 0.00 0.00 175.10 175.92 3a27 s TRP 238 N 0.53 3.19 -0.29 5.22 0.52 -0.01 -0.61 118.94 127.48 3a27 s TRP 238 Ca -0.14 0.17 -0.27 0.00 0.02 0.00 0.00 56.10 55.88 3a27 s TRP 238 Cb -0.17 -1.83 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3a27 s TRP 238 CO 0.05 0.43 0.98 -1.58 0.02 0.00 0.00 176.95 176.85 3a27 s HIS 239 N -0.71 3.21 0.26 -1.98 5.65 -0.54 -0.74 115.29 120.45 3a27 s HIS 239 Ca 0.11 1.15 0.11 0.00 0.25 0.00 0.00 55.06 56.69 3a27 s HIS 239 Cb -0.12 -3.45 -0.05 0.00 -1.18 0.00 0.00 32.58 27.78 3a27 s HIS 239 CO 0.02 -0.64 -0.19 0.14 -0.65 0.00 0.00 174.74 173.43 3a27 s VAL 240 N 3.34 2.32 -0.08 0.89 -7.23 0.11 -0.95 120.40 118.80 3a27 s VAL 240 Ca 0.41 -2.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3a27 s VAL 240 Cb -0.13 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.58 3a27 s VAL 240 CO 0.12 -0.44 -0.14 0.54 -0.31 0.00 0.00 175.10 174.88 3a27 s VAL 241 N -2.60 1.29 -0.18 1.32 0.11 -0.19 -1.98 120.40 118.17 3a27 s VAL 241 Ca 0.28 -0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 3a27 s VAL 241 Cb -0.04 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 3a27 s VAL 241 CO 0.13 0.39 -0.01 0.54 -3.33 0.00 0.00 175.10 172.82 3a27 s VAL 242 N 0.75 4.00 -0.41 2.04 0.11 0.53 -1.20 120.40 126.20 3a27 s VAL 242 Ca -0.13 -0.31 -0.19 0.00 -2.93 0.00 0.00 61.98 58.42 3a27 s VAL 242 Cb -0.16 -2.78 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 3a27 s VAL 242 CO 0.03 0.46 0.54 -1.81 -3.33 0.00 0.00 175.10 170.99 3a27 s ASP 243 N 0.65 6.28 -0.06 3.54 1.11 -0.08 -0.92 116.67 127.19 3a27 s ASP 243 Ca -0.01 -0.39 0.04 0.00 0.18 0.00 0.00 52.55 52.37 3a27 s ASP 243 Cb -0.14 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.58 3a27 s ASP 243 CO 0.02 -0.64 -0.16 0.00 1.18 0.00 0.00 175.17 175.57 3a27 s ALA 244 N 2.49 1.51 -0.14 5.23 0.00 -0.54 -1.07 121.76 129.24 3a27 s ALA 244 Ca 0.18 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 3a27 s ALA 244 Cb -0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3a27 s ALA 244 CO 0.16 0.23 0.05 0.21 0.00 0.00 0.00 175.76 176.41 3a27 s LYS 245 N 0.26 3.52 0.12 0.00 2.20 -0.35 -0.57 119.74 124.92 3a27 s LYS 245 Ca -0.09 -0.33 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 3a27 s LYS 245 Cb -0.13 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3a27 s LYS 245 CO 0.03 0.52 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.34 3a27 s PHE 246 N -0.34 1.40 -0.01 4.03 0.08 0.17 -0.11 117.98 123.20 3a27 s PHE 246 Ca 0.08 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 3a27 s PHE 246 Cb -0.12 -0.73 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 3a27 s PHE 246 CO 0.02 0.14 0.05 -1.83 -0.10 0.00 0.00 175.22 173.50 3a27 s GLU 247 N -2.66 0.20 0.74 0.44 -1.05 -1.07 -1.78 118.70 113.52 3a27 s GLU 247 Ca 0.09 -0.16 -0.11 0.00 -0.15 0.00 0.00 54.97 54.64 3a27 s GLU 247 Cb -0.05 0.08 0.04 0.00 -0.44 0.00 0.00 34.13 33.76 3a27 s GLU 247 CO 0.03 -0.04 1.08 -0.98 0.95 0.00 0.00 175.26 176.30 3a27 s ARG 248 N -0.56 2.53 0.00 -4.83 1.70 -0.36 -1.51 118.95 115.92 3a27 s ARG 248 Ca -0.06 0.99 0.00 0.00 -0.47 0.00 0.00 55.73 56.19 3a27 s ARG 248 Cb -0.04 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.40 3a27 s ARG 248 CO 0.00 -1.40 0.00 1.51 -1.08 0.00 0.00 175.30 174.33