#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9a s VAL 7 N 0.00 2.95 0.36 5.09 1.01 -1.26 -4.97 120.40 123.58 2i9a s VAL 7 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2i9a s VAL 7 Cb 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 2i9a s VAL 7 CO 0.00 0.09 1.53 -2.65 0.00 0.00 0.00 175.10 174.06 2i9a n PRO 8 N 3.17 2.71 -4.42 2.72 -0.02 -1.26 -5.05 135.00 132.86 2i9a n PRO 8 Ca 0.09 0.95 -0.21 0.00 -2.02 0.00 0.00 63.50 62.32 2i9a n PRO 8 Cb 0.41 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 2i9a n PRO 8 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2i9a s SER 9 N 0.05 1.27 0.05 2.55 0.15 -1.26 -4.70 113.70 111.81 2i9a s SER 9 Ca 0.56 -0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.74 2i9a s SER 9 Cb -0.48 -0.36 0.09 0.00 -1.71 0.00 0.00 66.02 63.57 2i9a s SER 9 CO 0.60 0.07 0.87 0.54 1.20 0.00 0.00 173.24 176.51 2i9a s ASN 10 N 0.22 -0.35 0.00 5.45 4.22 -0.66 -4.92 114.94 118.89 2i9a s ASN 10 Ca -0.04 -0.08 0.00 0.00 -2.14 0.00 0.00 52.86 50.60 2i9a s ASN 10 Cb -0.09 0.43 0.00 0.00 1.28 0.00 0.00 41.25 42.87 2i9a s ASN 10 CO 0.01 -0.72 0.00 0.00 -2.04 0.00 0.00 177.10 174.34 2i9a n ASP 12 N 0.00 -5.82 -4.53 0.00 10.43 -1.26 -4.84 116.55 110.52 2i9a n ASP 12 Ca 0.00 -0.88 -0.42 0.00 2.57 0.00 0.00 54.79 56.06 2i9a n ASP 12 Cb 0.00 -3.92 -0.08 0.00 1.84 0.00 0.00 41.12 38.96 2i9a n ASP 12 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2i9a s LEU 14 N 2.24 2.89 -1.50 0.00 1.43 0.48 -4.24 118.68 119.98 2i9a s LEU 14 Ca 0.15 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2i9a s LEU 14 Cb -0.16 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.17 2i9a s LEU 14 CO 0.13 -1.64 0.81 0.59 0.23 0.00 0.00 176.35 176.48 2i9a n ASN 15 N -2.88 -6.27 0.00 2.29 3.02 -1.26 -1.24 115.26 108.91 2i9a n ASN 15 Ca 0.09 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2i9a n ASN 15 Cb 0.60 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 2i9a n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i9a n GLY 16 N -1.70 0.85 3.72 7.41 0.00 -1.26 -4.72 105.19 109.49 2i9a n GLY 16 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2i9a n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i9a s GLY 17 N -1.66 2.23 -0.04 -0.02 0.00 -0.38 -4.67 107.32 102.78 2i9a s GLY 17 Ca 0.00 0.79 0.06 0.00 0.00 0.00 0.00 44.72 45.57 2i9a s GLY 17 CO 0.00 1.19 -0.22 -1.59 0.00 0.00 0.00 173.10 172.48 2i9a s THR 18 N -2.13 1.82 -0.12 0.90 2.01 -0.28 -4.73 115.64 113.12 2i9a s THR 18 Ca 0.72 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 2i9a s THR 18 Cb -0.27 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 2i9a s THR 18 CO 0.47 0.51 1.01 0.00 -0.69 0.00 0.00 174.62 175.92 2i9a s VAL 20 N 2.11 3.20 0.38 0.00 1.01 0.89 -4.95 120.40 123.03 2i9a s VAL 20 Ca 0.48 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 2i9a s VAL 20 Cb -0.18 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 2i9a s VAL 20 CO 0.17 0.42 0.99 -0.94 0.00 0.00 0.00 175.10 175.74 2i9a s SER 21 N -1.25 6.98 0.21 3.32 1.04 -1.26 -1.20 113.70 121.54 2i9a s SER 21 Ca 0.15 1.88 -0.31 0.00 0.48 0.00 0.00 55.95 58.15 2i9a s SER 21 Cb -0.11 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.33 2i9a s SER 21 CO 0.05 -0.33 1.58 0.21 0.98 0.00 0.00 173.24 175.73 2i9a s ASN 22 N -1.74 6.52 0.43 7.02 3.84 -0.21 -4.86 114.94 125.94 2i9a s ASN 22 Ca 0.57 2.74 0.20 0.00 0.21 0.00 0.00 52.86 56.57 2i9a s ASN 22 Cb -0.18 -2.61 0.97 0.00 -0.55 0.00 0.00 41.25 38.88 2i9a s ASN 22 CO 0.23 -0.85 1.88 0.07 -2.79 0.00 0.00 177.10 175.64 2i9a h LYS 23 N 6.10 0.00 0.00 0.43 -0.00 -1.94 -3.31 116.57 117.84 2i9a h LYS 23 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 2i9a h LYS 23 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2i9a h LYS 23 CO 0.87 0.27 -1.41 0.66 -0.00 0.00 0.00 179.45 179.85 2i9a n TYR 24 N -3.74 0.00 -5.02 0.07 4.01 -1.26 -5.00 117.16 106.23 2i9a n TYR 24 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 2i9a n TYR 24 Cb 0.38 -0.22 -0.17 0.00 -0.31 0.00 0.00 39.34 39.02 2i9a n TYR 24 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2i9a s PHE 25 N -2.68 2.17 0.48 -0.72 0.08 -1.25 -5.12 117.98 110.94 2i9a s PHE 25 Ca -0.03 -0.83 -0.22 0.00 0.12 0.00 0.00 56.93 55.97 2i9a s PHE 25 Cb 0.07 -1.47 -0.07 0.00 -0.57 0.00 0.00 43.02 40.97 2i9a s PHE 25 CO 0.44 -0.34 1.15 -1.54 -0.10 0.00 0.00 175.22 174.84 2i9a s SER 26 N 0.34 6.10 -0.69 1.36 1.04 -1.26 -3.94 113.70 116.66 2i9a s SER 26 Ca -0.15 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.55 2i9a s SER 26 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2i9a s SER 26 CO 0.06 -0.96 0.00 0.59 0.98 0.00 0.00 173.24 173.91 2i9a n ASN 27 N -0.65 -3.94 -4.26 7.02 3.02 -1.26 -4.99 115.26 110.20 2i9a n ASN 27 Ca 0.08 0.16 -0.28 0.00 -0.03 0.00 0.00 54.58 54.51 2i9a n ASN 27 Cb 0.49 -2.01 -0.15 0.00 -0.61 0.00 0.00 39.78 37.50 2i9a n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2i9a s ILE 28 N -2.19 1.79 0.05 2.41 -1.09 -1.25 -5.05 121.20 115.86 2i9a s ILE 28 Ca 0.00 -1.09 -0.01 0.00 -2.23 0.00 0.00 60.65 57.32 2i9a s ILE 28 Cb 0.00 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 2i9a s ILE 28 CO 0.00 0.39 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.07 2i9a s HIS 29 N -0.65 0.49 0.07 3.97 3.76 -1.26 -1.04 115.29 120.63 2i9a s HIS 29 Ca 0.09 -1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 2i9a s HIS 29 Cb -0.09 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.25 2i9a s HIS 29 CO 0.00 -0.36 0.24 1.67 -0.85 0.00 0.00 174.74 175.45 2i9a s TRP 30 N -3.65 0.02 -0.31 1.40 1.48 -0.34 -1.66 118.94 115.87 2i9a s TRP 30 Ca 0.04 -0.30 -0.20 0.00 -1.06 0.00 0.00 56.10 54.58 2i9a s TRP 30 Cb 0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 33.47 32.39 2i9a s TRP 30 CO -0.09 -0.52 0.64 0.00 -4.06 0.00 0.00 176.95 172.92 2i9a s ASN 32 N 1.67 6.88 -0.00 0.00 3.84 0.63 -4.89 114.94 123.07 2i9a s ASN 32 Ca 0.25 1.10 -0.01 0.00 0.21 0.00 0.00 52.86 54.41 2i9a s ASN 32 Cb -0.15 -2.45 -0.04 0.00 -0.55 0.00 0.00 41.25 38.06 2i9a s ASN 32 CO 0.12 -0.53 0.13 0.00 -2.79 0.00 0.00 177.10 174.03 2i9a s PRO 34 N -1.88 2.22 0.52 0.00 0.02 -1.26 -4.90 135.00 129.73 2i9a s PRO 34 Ca 0.25 1.73 0.22 0.00 0.02 0.00 0.00 61.00 63.22 2i9a s PRO 34 Cb -0.12 -1.85 1.41 0.00 0.02 0.00 0.00 34.50 33.96 2i9a s PRO 34 CO 0.17 -1.76 2.12 1.57 -0.33 0.00 0.00 177.00 178.77 2i9a h LYS 35 N -0.24 0.00 0.00 5.54 2.10 -1.98 -0.71 116.57 121.28 2i9a h LYS 35 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2i9a h LYS 35 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2i9a h LYS 35 CO 0.50 0.08 0.00 0.87 -2.00 0.00 0.00 179.45 178.90 2i9a h LYS 36 N 0.00 0.00 -6.80 0.07 6.56 -1.96 -3.45 116.57 110.98 2i9a h LYS 36 Ca -0.00 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.91 2i9a h LYS 36 Cb 0.16 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 31.62 2i9a h LYS 36 CO 0.01 0.00 -0.84 -0.06 -2.06 0.00 0.00 179.45 176.50 2i9a s PHE 37 N -3.72 2.37 0.27 -1.35 0.40 -0.27 -0.51 117.98 115.16 2i9a s PHE 37 Ca -0.01 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2i9a s PHE 37 Cb 0.10 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 2i9a s PHE 37 CO 0.43 0.38 0.27 0.41 0.70 0.00 0.00 175.22 177.41 2i9a n GLY 38 N 0.74 2.92 0.00 4.36 0.00 -0.00 -4.63 105.19 108.57 2i9a n GLY 38 Ca -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2i9a n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9a n GLY 39 N -0.49 2.19 0.42 -0.02 0.00 -1.26 -1.50 105.19 104.53 2i9a n GLY 39 Ca 0.05 -1.95 0.22 0.00 0.00 0.00 0.00 46.02 44.34 2i9a n GLY 39 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2i9a h GLN 40 N 0.00 0.32 -0.06 1.61 -0.00 -2.00 -2.29 115.11 112.70 2i9a h GLN 40 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2i9a h GLN 40 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.41 2i9a h GLN 40 CO 0.00 0.21 0.00 0.72 0.00 0.00 0.00 178.83 179.76 2i9a n HIS 41 N -4.49 0.20 -3.22 3.99 -0.00 -1.26 -4.23 115.22 106.20 2i9a n HIS 41 Ca 0.21 -0.93 -0.23 0.00 -0.00 0.00 0.00 57.72 56.77 2i9a n HIS 41 Cb 0.81 -0.17 0.01 0.00 -0.00 0.00 0.00 29.99 30.64 2i9a n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2i9a n GLU 43 N -3.87 0.05 -3.73 0.00 0.00 -0.75 -4.54 120.64 107.79 2i9a n GLU 43 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.74 2i9a n GLU 43 Cb 0.58 -1.52 -0.11 0.00 0.00 0.00 0.00 31.44 30.38 2i9a n GLU 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2i9a s ILE 44 N -3.04 4.92 -0.60 3.84 -1.09 -0.56 -4.91 121.20 119.77 2i9a s ILE 44 Ca 0.09 0.03 -0.26 0.00 -2.23 0.00 0.00 60.65 58.28 2i9a s ILE 44 Cb 0.17 -3.30 0.04 0.00 -1.58 0.00 0.00 42.46 37.78 2i9a s ILE 44 CO 0.75 0.34 1.08 -0.62 -1.23 0.00 0.00 174.94 175.26 2i9a s ASP 45 N 1.31 6.34 0.28 3.58 -1.08 -0.35 -0.82 116.67 125.93 2i9a s ASP 45 Ca 0.06 -0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.10 2i9a s ASP 45 Cb -0.15 -2.50 0.85 0.00 -1.46 0.00 0.00 42.92 39.67 2i9a s ASP 45 CO 0.05 -1.43 1.76 0.11 0.52 0.00 0.00 175.17 176.18 2i9a h LYS 46 N 9.52 0.00 0.00 4.34 1.57 -1.10 -3.36 116.57 127.55 2i9a h LYS 46 Ca -0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2i9a h LYS 46 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2i9a h LYS 46 CO 1.16 0.00 -1.32 -1.13 -0.57 0.00 0.00 179.45 177.59 2i9a n SER 47 N -2.43 3.59 -4.72 0.86 3.41 -1.24 -4.93 113.62 108.16 2i9a n SER 47 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 2i9a n SER 47 Cb 0.37 1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 2i9a n SER 47 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2i9a s LYS 48 N -2.32 4.27 0.00 4.33 2.47 -1.26 -4.91 119.74 122.31 2i9a s LYS 48 Ca -0.02 2.22 0.09 0.00 -1.56 0.00 0.00 55.97 56.70 2i9a s LYS 48 Cb 0.03 -3.20 0.16 0.00 -1.46 0.00 0.00 37.83 33.36 2i9a s LYS 48 CO 0.25 -0.52 0.99 0.25 0.16 0.00 0.00 175.35 176.47 2i9a n THR 49 N 3.93 0.45 -3.97 3.43 -2.24 -1.26 -4.51 114.28 110.10 2i9a n THR 49 Ca 0.13 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 2i9a n THR 49 Cb 0.40 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 2i9a n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i9a s TYR 51 N -3.53 2.49 0.05 0.00 -0.85 -0.24 -4.79 117.35 110.48 2i9a s TYR 51 Ca 0.22 -0.28 0.06 0.00 -0.52 0.00 0.00 57.07 56.55 2i9a s TYR 51 Cb -0.02 -1.18 -0.03 0.00 0.38 0.00 0.00 41.96 41.11 2i9a s TYR 51 CO 0.12 0.57 -0.14 -1.21 -1.52 0.00 0.00 175.55 173.37 2i9a s GLU 52 N -3.06 2.19 7.43 -3.49 2.02 -1.26 -0.39 118.70 122.15 2i9a s GLU 52 Ca 0.26 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2i9a s GLU 52 Cb -0.07 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2i9a s GLU 52 CO 0.15 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2i9a n GLY 53 N 1.37 3.93 0.64 -1.39 0.00 -1.26 -1.15 105.19 107.33 2i9a n GLY 53 Ca -0.15 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2i9a n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i9a n ASN 54 N 6.76 1.93 -0.63 1.61 0.23 -1.26 -4.92 115.26 118.98 2i9a n ASN 54 Ca 0.00 -1.72 -0.08 0.00 -0.53 0.00 0.00 54.58 52.25 2i9a n ASN 54 Cb 0.00 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 37.57 2i9a n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2i9a n GLY 55 N 1.20 1.00 0.38 4.83 0.00 -0.30 -3.37 105.19 108.93 2i9a n GLY 55 Ca 0.17 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.83 2i9a n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2i9a h HIS 56 N 0.00 0.52 -0.36 1.61 6.17 -1.83 -2.06 115.15 119.19 2i9a h HIS 56 Ca -0.17 0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.93 2i9a h HIS 56 Cb 0.60 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.37 2i9a h HIS 56 CO 0.27 0.19 0.00 1.19 0.71 0.00 0.00 177.93 180.29 2i9a n PHE 57 N -4.49 0.77 -1.74 5.26 3.01 -1.26 -4.61 117.46 114.40 2i9a n PHE 57 Ca 0.15 -0.64 -0.42 0.00 1.01 0.00 0.00 57.45 57.55 2i9a n PHE 57 Cb 0.53 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 2i9a n PHE 57 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2i9a s TYR 58 N -1.72 2.49 -0.06 1.38 5.04 -0.78 -4.89 117.35 118.81 2i9a s TYR 58 Ca 0.34 0.16 0.09 0.00 -2.44 0.00 0.00 57.07 55.21 2i9a s TYR 58 Cb 0.22 -4.15 0.15 0.00 0.35 0.00 0.00 41.96 38.54 2i9a s TYR 58 CO 0.15 -4.56 1.07 0.54 -1.34 0.00 0.00 175.55 171.42 2i9a n ARG 59 N 4.95 0.54 -0.02 4.97 5.12 -1.26 -4.79 116.66 126.16 2i9a n ARG 59 Ca 0.17 -1.74 0.00 0.00 -1.93 0.00 0.00 57.85 54.35 2i9a n ARG 59 Cb 0.37 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 2i9a n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i9a n GLY 60 N -0.55 -0.99 1.03 -0.13 0.00 -1.26 -1.21 105.19 102.08 2i9a n GLY 60 Ca 0.07 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.50 2i9a n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9a n LYS 61 N -0.82 3.23 -1.73 1.61 5.02 -1.26 -4.67 118.16 119.55 2i9a n LYS 61 Ca 0.00 -2.71 -0.42 0.00 -2.02 0.00 0.00 58.31 53.16 2i9a n LYS 61 Cb 0.00 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 33.23 2i9a n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9a n ALA 62 N 0.05 1.87 -2.24 7.82 0.00 -1.26 -4.87 120.51 121.88 2i9a n ALA 62 Ca 0.20 0.36 -0.00 0.00 0.00 0.00 0.00 53.44 54.01 2i9a n ALA 62 Cb 0.82 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 2i9a n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2i9a n SER 63 N 1.16 0.19 -4.02 0.00 3.41 -1.26 -0.30 113.62 112.80 2i9a n SER 63 Ca 0.05 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.54 2i9a n SER 63 Cb 0.36 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 2i9a n SER 63 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2i9a s THR 64 N 0.00 0.86 0.83 6.66 2.01 -1.26 -1.51 115.64 123.23 2i9a s THR 64 Ca 0.16 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 2i9a s THR 64 Cb 0.19 -0.76 0.14 0.00 0.01 0.00 0.00 72.50 72.08 2i9a s THR 64 CO -0.08 0.26 1.16 1.51 -0.69 0.00 0.00 174.62 176.79 2i9a s ASP 65 N 0.10 3.95 0.34 3.53 3.84 -0.18 -0.42 116.67 127.83 2i9a s ASP 65 Ca -0.02 0.25 0.25 0.00 -0.00 0.00 0.00 52.55 53.03 2i9a s ASP 65 Cb -0.08 -0.56 1.20 0.00 -1.38 0.00 0.00 42.92 42.10 2i9a s ASP 65 CO 0.00 -2.18 1.75 0.71 -0.00 0.00 0.00 175.17 175.46 2i9a h THR 66 N -1.09 0.00 -0.50 2.11 1.35 -1.51 -0.91 112.91 112.36 2i9a h THR 66 Ca -0.43 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2i9a h THR 66 Cb 1.27 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2i9a h THR 66 CO 0.47 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.97 2i9a n MET 67 N -2.36 2.48 -1.56 4.72 2.81 -1.26 -4.95 117.12 117.00 2i9a n MET 67 Ca -0.00 -2.26 -0.00 0.00 -1.81 0.00 0.00 57.70 53.62 2i9a n MET 67 Cb 0.13 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2i9a n MET 67 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i9a n GLY 68 N 1.51 0.38 3.77 3.03 0.00 -0.34 -5.06 105.19 108.47 2i9a n GLY 68 Ca 0.21 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2i9a n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i9a s ARG 69 N -3.13 2.96 0.31 1.61 0.52 -1.26 -4.87 118.95 115.09 2i9a s ARG 69 Ca 0.00 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 2i9a s ARG 69 Cb 0.00 -2.79 -0.10 0.00 0.52 0.00 0.00 34.95 32.59 2i9a s ARG 69 CO 0.00 0.62 1.16 -1.25 0.02 0.00 0.00 175.30 175.84 2i9a s PRO 70 N -1.93 4.48 0.52 3.54 0.04 -1.26 -1.01 135.00 139.38 2i9a s PRO 70 Ca 0.25 1.90 -0.22 0.00 0.04 0.00 0.00 61.00 62.96 2i9a s PRO 70 Cb -0.12 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 2i9a s PRO 70 CO 0.16 0.04 1.26 0.00 0.04 0.00 0.00 177.00 178.50 2i9a s LEU 72 N -3.42 4.11 0.38 0.00 1.43 0.86 -4.86 118.68 117.19 2i9a s LEU 72 Ca 0.69 1.92 -0.27 0.00 -1.03 0.00 0.00 54.13 55.44 2i9a s LEU 72 Cb -0.34 -4.26 -0.10 0.00 0.03 0.00 0.00 46.19 41.52 2i9a s LEU 72 CO 0.40 -0.41 1.35 -2.84 0.23 0.00 0.00 176.35 175.09 2i9a s PRO 73 N -2.61 4.09 0.30 1.29 0.02 -1.26 -4.60 135.00 132.23 2i9a s PRO 73 Ca 0.58 2.28 0.24 0.00 0.02 0.00 0.00 61.00 64.13 2i9a s PRO 73 Cb -0.18 -2.89 1.08 0.00 0.02 0.00 0.00 34.50 32.53 2i9a s PRO 73 CO 0.23 -0.44 1.74 -1.49 -0.33 0.00 0.00 177.00 176.71 2i9a h TRP 74 N 2.92 0.00 -0.31 6.54 4.06 -1.21 -2.05 115.95 125.90 2i9a h TRP 74 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 2i9a h TRP 74 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2i9a h TRP 74 CO 0.54 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.69 2i9a n ASN 75 N -2.33 3.70 -4.79 -3.49 6.94 -1.25 -1.43 115.26 112.61 2i9a n ASN 75 Ca 0.01 -2.69 -0.34 0.00 -0.02 0.00 0.00 54.58 51.54 2i9a n ASN 75 Cb 0.19 -0.46 -0.01 0.00 -2.36 0.00 0.00 39.78 37.15 2i9a n ASN 75 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2i9a s SER 76 N -1.58 5.99 0.26 0.53 1.04 -0.77 -4.86 113.70 114.30 2i9a s SER 76 Ca 0.37 1.94 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 2i9a s SER 76 Cb 0.28 -2.55 0.53 0.00 0.10 0.00 0.00 66.02 64.37 2i9a s SER 76 CO 0.12 -1.03 1.72 0.00 0.98 0.00 0.00 173.24 175.03 2i9a h ALA 77 N 1.05 1.15 -0.19 5.32 0.00 -1.94 -0.67 119.26 123.98 2i9a h ALA 77 Ca -0.49 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2i9a h ALA 77 Cb 1.23 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2i9a h ALA 77 CO 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 2i9a h THR 78 N 0.42 1.27 -0.24 0.00 1.03 -1.94 -3.03 112.91 110.42 2i9a h THR 78 Ca 0.45 -0.92 -0.07 0.00 -0.01 0.00 0.00 66.41 65.86 2i9a h THR 78 Cb 0.74 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 2i9a h THR 78 CO -0.45 0.28 -0.15 0.58 -0.01 0.00 0.00 175.52 175.77 2i9a h VAL 79 N 0.08 1.22 0.00 0.00 2.07 -1.74 -1.93 116.25 115.95 2i9a h VAL 79 Ca 0.05 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2i9a h VAL 79 Cb 0.42 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2i9a h VAL 79 CO 0.01 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.10 2i9a n LEU 80 N -4.21 0.35 -0.91 2.57 4.77 -0.29 -1.01 117.00 118.28 2i9a n LEU 80 Ca 0.00 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2i9a n LEU 80 Cb 0.32 -0.64 0.25 0.00 -2.33 0.00 0.00 43.42 41.02 2i9a n LEU 80 CO 0.40 -0.65 0.72 0.00 -1.33 0.00 0.00 177.39 176.52 2i9a n GLN 81 N -1.94 2.22 -2.54 3.23 6.02 -0.73 -4.98 117.38 118.66 2i9a n GLN 81 Ca 0.00 -1.81 -0.15 0.00 -0.01 0.00 0.00 57.00 55.03 2i9a n GLN 81 Cb 0.09 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 29.93 2i9a n GLN 81 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2i9a n GLN 82 N 1.08 0.66 -0.14 -1.09 1.13 -0.18 -5.04 117.38 113.81 2i9a n GLN 82 Ca 0.17 -2.45 -0.10 0.00 -1.94 0.00 0.00 57.00 52.68 2i9a n GLN 82 Cb 0.52 -0.20 -0.01 0.00 0.11 0.00 0.00 30.24 30.66 2i9a n GLN 82 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2i9a h THR 83 N 0.05 1.26 -3.31 5.09 2.02 -1.94 -3.43 112.91 112.65 2i9a h THR 83 Ca -0.21 -0.98 -0.66 0.00 0.77 0.00 0.00 66.41 65.33 2i9a h THR 83 Cb 0.98 1.09 -0.29 0.00 -1.74 0.00 0.00 68.15 68.19 2i9a h THR 83 CO 0.30 0.33 -0.77 -0.31 0.37 0.00 0.00 175.52 175.45 2i9a s TYR 84 N -5.05 2.86 0.23 3.16 2.02 -1.26 -5.02 117.35 114.29 2i9a s TYR 84 Ca -0.13 -0.93 -0.22 0.00 -0.37 0.00 0.00 57.07 55.41 2i9a s TYR 84 Cb 0.10 -1.95 0.04 0.00 -0.40 0.00 0.00 41.96 39.74 2i9a s TYR 84 CO 0.79 -0.45 0.81 -3.38 -1.57 0.00 0.00 175.55 171.76 2i9a s HIS 85 N 0.94 -0.16 -0.62 2.71 -3.43 -1.26 -4.84 115.29 108.63 2i9a s HIS 85 Ca -0.02 -0.25 0.20 0.00 -0.80 0.00 0.00 55.06 54.20 2i9a s HIS 85 Cb -0.15 0.69 0.87 0.00 -1.43 0.00 0.00 32.58 32.56 2i9a s HIS 85 CO -0.01 -1.09 1.63 0.00 -2.00 0.00 0.00 174.74 173.27 2i9a n ALA 86 N -0.47 1.62 1.17 -1.38 0.00 -0.51 -2.99 120.51 117.94 2i9a n ALA 86 Ca -0.05 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2i9a n ALA 86 Cb 0.60 -1.33 0.25 0.00 0.00 0.00 0.00 19.45 18.96 2i9a n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2i9a n HIS 87 N -2.02 0.00 -1.68 0.00 8.25 -1.26 -4.81 115.22 113.70 2i9a n HIS 87 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 2i9a n HIS 87 Cb 0.20 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 2i9a n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2i9a n ARG 88 N -0.44 1.95 0.30 -0.41 1.74 -1.16 -4.90 116.66 113.73 2i9a n ARG 88 Ca 0.11 0.68 0.15 0.00 -0.77 0.00 0.00 57.85 58.03 2i9a n ARG 88 Cb 0.39 -2.24 0.92 0.00 -1.02 0.00 0.00 32.46 30.51 2i9a n ARG 88 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2i9a h SER 89 N 2.37 0.00 -0.62 0.55 4.64 -1.92 -1.69 113.55 116.87 2i9a h SER 89 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2i9a h SER 89 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2i9a h SER 89 CO 0.62 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 2i9a n ASP 90 N -3.80 4.73 -0.36 4.97 3.85 -1.26 -4.65 116.55 120.02 2i9a n ASP 90 Ca -0.03 -2.48 0.02 0.00 -0.71 0.00 0.00 54.79 51.58 2i9a n ASP 90 Cb 0.09 -0.59 0.17 0.00 -1.35 0.00 0.00 41.12 39.44 2i9a n ASP 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2i9a h ALA 91 N 4.09 1.39 -0.01 2.12 0.00 -1.60 -1.91 119.26 123.33 2i9a h ALA 91 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i9a h ALA 91 Cb 1.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2i9a h ALA 91 CO 0.26 0.49 0.01 1.25 0.00 0.00 0.00 179.25 181.26 2i9a h LEU 92 N 1.20 0.02 -1.96 0.00 5.85 -1.83 0.78 115.31 119.37 2i9a h LEU 92 Ca 0.41 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.13 2i9a h LEU 92 Cb 0.08 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2i9a h LEU 92 CO -0.14 0.03 0.10 -0.61 -0.34 0.00 0.00 178.44 177.48 2i9a h GLN 93 N -0.01 0.05 -0.01 1.25 5.75 -1.77 -1.66 115.11 118.71 2i9a h GLN 93 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2i9a h GLN 93 Cb 0.02 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2i9a h GLN 93 CO -0.00 0.03 -0.28 1.28 -2.65 0.00 0.00 178.83 177.21 2i9a n LEU 94 N -4.50 1.15 -1.43 -2.39 4.77 -0.77 -4.95 117.00 108.88 2i9a n LEU 94 Ca 0.00 -0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 55.51 2i9a n LEU 94 Cb 0.19 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2i9a n LEU 94 CO 0.35 0.22 -0.17 0.61 -1.33 0.00 0.00 177.39 177.07 2i9a n GLY 95 N 1.35 0.43 3.53 -0.72 0.00 -0.54 -4.75 105.19 104.50 2i9a n GLY 95 Ca 0.12 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2i9a n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i9a s LEU 96 N -3.80 4.52 0.00 0.99 1.43 0.16 -5.00 118.68 116.98 2i9a s LEU 96 Ca 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2i9a s LEU 96 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2i9a s LEU 96 CO 0.00 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.73 2i9a n GLY 97 N 4.95 5.04 2.74 -3.19 0.00 -1.26 -4.41 105.19 109.05 2i9a n GLY 97 Ca -0.07 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2i9a n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9a n LYS 98 N 0.00 2.71 -3.83 1.61 5.02 -1.26 -3.94 118.16 118.47 2i9a n LYS 98 Ca 0.00 -2.40 -0.07 0.00 -2.02 0.00 0.00 58.31 53.82 2i9a n LYS 98 Cb 0.00 -3.15 0.01 0.00 -0.02 0.00 0.00 35.03 31.87 2i9a n LYS 98 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2i9a s HIS 99 N 3.38 0.02 -0.32 2.13 -3.43 -1.26 -5.02 115.29 110.79 2i9a s HIS 99 Ca 0.51 -0.60 0.07 0.00 -0.80 0.00 0.00 55.06 54.25 2i9a s HIS 99 Cb 0.14 0.78 0.45 0.00 -1.43 0.00 0.00 32.58 32.53 2i9a s HIS 99 CO -0.05 -1.38 1.17 0.27 -2.00 0.00 0.00 174.74 172.75 2i9a n ASN 100 N -1.11 4.68 -4.83 7.38 6.94 -1.26 -1.03 115.26 126.03 2i9a n ASN 100 Ca -0.07 -3.65 -0.37 0.00 -0.02 0.00 0.00 54.58 50.47 2i9a n ASN 100 Cb 0.60 -0.38 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 2i9a n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2i9a s TYR 101 N -3.59 3.71 0.04 -2.53 2.02 -1.26 -4.47 117.35 111.27 2i9a s TYR 101 Ca 0.49 1.14 -0.36 0.00 -0.37 0.00 0.00 57.07 57.97 2i9a s TYR 101 Cb 0.40 -2.41 -0.15 0.00 -0.40 0.00 0.00 41.96 39.40 2i9a s TYR 101 CO -0.01 0.53 1.51 0.00 -1.57 0.00 0.00 175.55 176.01 2i9a n ARG 103 N 3.56 0.49 -2.99 0.00 5.12 -0.41 -4.78 116.66 117.65 2i9a n ARG 103 Ca 0.20 -2.90 -0.15 0.00 -1.93 0.00 0.00 57.85 53.07 2i9a n ARG 103 Cb 0.22 1.95 0.01 0.00 -1.16 0.00 0.00 32.46 33.48 2i9a n ARG 103 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2i9a n ASN 104 N -1.74 -0.76 0.11 0.55 5.15 -1.26 -0.45 115.26 116.87 2i9a n ASN 104 Ca 0.01 -3.20 0.12 0.00 -0.60 0.00 0.00 54.58 50.91 2i9a n ASN 104 Cb 0.52 0.48 0.45 0.00 -0.53 0.00 0.00 39.78 40.70 2i9a n ASN 104 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2i9a n PRO 105 N 0.70 0.22 -0.33 1.20 -0.04 -1.26 -2.60 135.00 132.90 2i9a n PRO 105 Ca 0.16 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 2i9a n PRO 105 Cb 0.64 -1.82 0.22 0.00 -0.04 0.00 0.00 33.50 32.50 2i9a n PRO 105 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2i9a n ASP 106 N -2.22 3.51 -3.57 3.54 5.75 -1.26 -5.00 116.55 117.31 2i9a n ASP 106 Ca 0.04 -2.38 -0.22 0.00 -0.01 0.00 0.00 54.79 52.22 2i9a n ASP 106 Cb 0.33 -0.38 0.08 0.00 -1.03 0.00 0.00 41.12 40.11 2i9a n ASP 106 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2i9a n ASN 107 N 0.32 -4.26 -3.44 -1.12 5.15 -1.07 -5.01 115.26 105.82 2i9a n ASN 107 Ca 0.17 -0.61 -0.27 0.00 -0.60 0.00 0.00 54.58 53.27 2i9a n ASN 107 Cb 0.64 -4.91 0.22 0.00 -0.53 0.00 0.00 39.78 35.21 2i9a n ASN 107 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2i9a n ARG 108 N -4.61 -2.89 0.20 1.20 1.74 -1.26 -4.94 116.66 106.10 2i9a n ARG 108 Ca -0.12 -1.57 0.15 0.00 -0.77 0.00 0.00 57.85 55.54 2i9a n ARG 108 Cb 0.61 -1.46 0.56 0.00 -1.02 0.00 0.00 32.46 31.15 2i9a n ARG 108 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2i9a h ARG 109 N 0.00 0.00 -2.13 5.56 0.11 -1.95 -3.46 114.38 112.51 2i9a h ARG 109 Ca -0.37 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.65 2i9a h ARG 109 Cb 1.12 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.01 2i9a h ARG 109 CO 0.24 0.00 0.15 0.50 0.10 0.00 0.00 179.97 180.96 2i9a s ARG 110 N -3.47 1.03 0.85 0.08 3.52 -1.22 -4.42 118.95 115.33 2i9a s ARG 110 Ca 0.03 0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.71 2i9a s ARG 110 Cb 0.09 0.48 0.11 0.00 -1.56 0.00 0.00 34.95 34.07 2i9a s ARG 110 CO 0.49 -0.32 1.18 -2.14 -0.81 0.00 0.00 175.30 173.69 2i9a s PRO 111 N -1.29 1.42 0.31 5.12 0.02 -1.25 -4.88 135.00 134.46 2i9a s PRO 111 Ca -0.11 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.44 2i9a s PRO 111 Cb -0.00 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.77 2i9a s PRO 111 CO 0.09 -2.35 0.60 1.67 -0.33 0.00 0.00 177.00 176.68 2i9a s TRP 112 N -2.37 0.33 0.18 6.54 1.48 0.41 -1.42 118.94 124.09 2i9a s TRP 112 Ca 0.70 -0.76 -0.18 0.00 -1.06 0.00 0.00 56.10 54.80 2i9a s TRP 112 Cb -0.26 0.40 0.03 0.00 -1.16 0.00 0.00 33.47 32.48 2i9a s TRP 112 CO 0.53 -1.21 0.51 0.00 -4.06 0.00 0.00 176.95 172.72 2i9a s TYR 114 N -3.85 3.68 -0.04 0.00 2.02 -1.26 -1.31 117.35 116.58 2i9a s TYR 114 Ca 0.08 1.71 0.04 0.00 -0.37 0.00 0.00 57.07 58.53 2i9a s TYR 114 Cb -0.01 -3.21 -0.00 0.00 -0.40 0.00 0.00 41.96 38.34 2i9a s TYR 114 CO -0.05 -0.34 -0.17 0.08 -1.57 0.00 0.00 175.55 173.50 2i9a s VAL 115 N -0.71 1.41 -0.21 0.71 1.01 -0.10 -0.10 120.40 122.41 2i9a s VAL 115 Ca 0.46 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 2i9a s VAL 115 Cb -0.29 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2i9a s VAL 115 CO 0.36 0.41 1.86 -1.58 0.00 0.00 0.00 175.10 176.15 2i9a s GLN 116 N 0.03 3.57 -0.39 2.72 2.00 -1.26 -1.00 119.66 125.32 2i9a s GLN 116 Ca -0.03 1.83 0.03 0.00 -2.00 0.00 0.00 55.36 55.19 2i9a s GLN 116 Cb -0.11 -4.18 0.11 0.00 0.80 0.00 0.00 33.01 29.63 2i9a s GLN 116 CO 0.02 -1.58 0.13 0.08 -0.50 0.00 0.00 175.29 173.43 2i9a s VAL 117 N 6.27 2.06 0.00 1.34 1.01 0.08 -4.99 120.40 126.16 2i9a s VAL 117 Ca 0.83 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2i9a s VAL 117 Cb -0.29 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2i9a s VAL 117 CO 0.33 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.36 2i9a n GLY 118 N 4.00 1.59 0.09 4.51 0.00 -1.26 -2.24 105.19 111.87 2i9a n GLY 118 Ca 0.04 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 2i9a n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i9a h LEU 119 N 0.00 0.17 -9.12 0.99 4.07 -2.00 -3.47 115.31 105.96 2i9a h LEU 119 Ca 0.00 -0.25 -0.66 0.00 0.08 0.00 0.00 57.88 57.04 2i9a h LEU 119 Cb 0.00 -0.05 -0.18 0.00 1.08 0.00 0.00 40.66 41.51 2i9a h LEU 119 CO 0.00 0.39 -0.79 -1.59 -1.08 0.00 0.00 178.44 175.36 2i9a s LYS 120 N -5.19 1.76 0.05 1.13 -2.85 -0.95 -5.10 119.74 108.59 2i9a s LYS 120 Ca -0.14 -1.28 -0.30 0.00 -1.00 0.00 0.00 55.97 53.24 2i9a s LYS 120 Cb 0.05 -2.05 -0.05 0.00 -2.06 0.00 0.00 37.83 33.73 2i9a s LYS 120 CO 0.70 0.45 1.05 -1.25 0.10 0.00 0.00 175.35 176.40 2i9a s PRO 121 N -2.39 4.55 0.02 1.78 0.04 -1.26 -0.75 135.00 136.99 2i9a s PRO 121 Ca 0.20 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.84 2i9a s PRO 121 Cb -0.10 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2i9a s PRO 121 CO 0.11 -0.06 -0.16 -0.51 0.04 0.00 0.00 177.00 176.42 2i9a s LEU 122 N 0.73 2.10 0.07 -3.56 1.43 -0.17 -4.87 118.68 114.40 2i9a s LEU 122 Ca 0.53 -0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 52.94 2i9a s LEU 122 Cb -0.25 -0.75 -0.07 0.00 0.03 0.00 0.00 46.19 45.15 2i9a s LEU 122 CO 0.29 0.13 1.44 -0.69 0.23 0.00 0.00 176.35 177.75 2i9a s VAL 123 N -0.61 3.39 -0.00 -1.59 1.01 -1.26 -0.92 120.40 120.42 2i9a s VAL 123 Ca 0.05 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2i9a s VAL 123 Cb -0.07 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2i9a s VAL 123 CO 0.00 0.03 -0.06 -1.10 0.00 0.00 0.00 175.10 173.98 2i9a s GLN 124 N 1.84 0.45 0.54 2.72 -1.52 -0.42 -4.94 119.66 118.34 2i9a s GLN 124 Ca 0.66 -0.23 -0.19 0.00 -1.95 0.00 0.00 55.36 53.65 2i9a s GLN 124 Cb -0.35 -0.43 -0.06 0.00 -0.22 0.00 0.00 33.01 31.95 2i9a s GLN 124 CO 0.29 0.12 1.10 -1.21 -0.25 0.00 0.00 175.29 175.34 2i9a s GLU 125 N -0.22 3.42 0.27 2.91 2.02 -1.26 -1.46 118.70 124.38 2i9a s GLU 125 Ca 0.01 1.50 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 2i9a s GLU 125 Cb -0.03 -2.02 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 2i9a s GLU 125 CO -0.00 -0.77 0.57 0.00 0.02 0.00 0.00 175.26 175.07 2i9a h MET 127 N 2.04 0.35 -6.43 0.00 4.05 -0.88 -3.41 114.93 110.66 2i9a h MET 127 Ca -0.47 -0.07 -0.60 0.00 -0.28 0.00 0.00 59.70 58.27 2i9a h MET 127 Cb 1.18 -0.05 0.14 0.00 -0.80 0.00 0.00 31.60 32.07 2i9a h MET 127 CO 0.67 0.43 -0.20 1.55 0.23 0.00 0.00 176.91 179.59 2i9a n VAL 128 N -4.30 2.04 -4.04 -5.77 3.14 -1.26 -4.96 118.33 103.18 2i9a n VAL 128 Ca 0.00 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.66 2i9a n VAL 128 Cb 0.24 -0.74 -0.03 0.00 -1.06 0.00 0.00 33.84 32.25 2i9a n VAL 128 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2i9a s HIS 129 N -1.37 3.29 0.15 1.45 0.09 -1.26 -4.90 115.29 112.74 2i9a s HIS 129 Ca 0.63 -0.05 -0.31 0.00 -0.00 0.00 0.00 55.06 55.33 2i9a s HIS 129 Cb -0.60 -1.50 -0.10 0.00 -0.00 0.00 0.00 32.58 30.38 2i9a s HIS 129 CO 0.57 0.48 1.60 0.34 -0.00 0.00 0.00 174.74 177.73 2i9a s ASP 130 N -3.84 6.58 0.64 1.40 3.68 -1.26 -1.08 116.67 122.79 2i9a s ASP 130 Ca 0.33 2.61 0.32 0.00 2.13 0.00 0.00 52.55 57.94 2i9a s ASP 130 Cb -0.09 -2.59 1.76 0.00 -1.45 0.00 0.00 42.92 40.56 2i9a s ASP 130 CO 0.27 -0.85 2.03 0.00 0.13 0.00 0.00 175.17 176.76