#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9a n ASP 12 N 0.00 -5.48 -4.69 0.00 8.00 -1.26 -4.89 116.55 108.22 2i9a n ASP 12 Ca 0.00 -0.96 -0.38 0.00 0.71 0.00 0.00 54.79 54.16 2i9a n ASP 12 Cb 0.00 -3.38 -0.06 0.00 -0.02 0.00 0.00 41.12 37.65 2i9a n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i9a s LEU 14 N 1.10 3.21 -1.48 0.00 1.43 0.28 -4.61 118.68 118.62 2i9a s LEU 14 Ca 0.24 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2i9a s LEU 14 Cb -0.15 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.29 2i9a s LEU 14 CO 0.10 -1.25 0.87 0.59 0.23 0.00 0.00 176.35 176.89 2i9a n ASN 15 N -2.43 -6.28 -0.00 2.29 3.02 -1.26 -1.29 115.26 109.31 2i9a n ASN 15 Ca 0.09 -0.40 -0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2i9a n ASN 15 Cb 0.60 -5.02 -0.00 0.00 -0.61 0.00 0.00 39.78 34.75 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 -1.75 0.47 3.80 7.41 0.00 -1.26 -4.74 105.19 109.12 2i9a n GLY 16 Ca -0.06 -0.03 -0.31 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 -2.03 1.70 -0.15 -0.02 0.00 -0.41 -4.69 107.32 101.72 2i9a s GLY 17 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.86 2i9a s GLY 17 CO 0.00 0.49 -0.08 -1.59 0.00 0.00 0.00 173.10 171.92 2i9a s THR 18 N -2.96 3.46 -0.12 0.90 2.01 0.11 -4.78 115.64 114.25 2i9a s THR 18 Ca 0.59 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 2i9a s THR 18 Cb -0.15 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2i9a s THR 18 CO 0.54 0.50 1.03 0.00 -0.69 0.00 0.00 174.62 176.00 2i9a s VAL 20 N 2.26 3.00 -0.01 0.00 1.01 0.01 -4.96 120.40 121.72 2i9a s VAL 20 Ca 0.48 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2i9a s VAL 20 Cb -0.18 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2i9a s VAL 20 CO 0.16 0.48 0.02 -0.55 0.00 0.00 0.00 175.10 175.21 2i9a s SER 21 N 1.01 -0.01 0.02 3.32 0.15 -1.26 -0.97 113.70 115.95 2i9a s SER 21 Ca -0.01 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 2i9a s SER 21 Cb -0.15 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.14 2i9a s SER 21 CO -0.01 -0.02 1.44 0.21 1.20 0.00 0.00 173.24 176.06 2i9a s ASN 22 N -0.03 6.81 0.00 5.45 3.84 -0.26 -4.89 114.94 125.85 2i9a s ASN 22 Ca -0.00 2.19 0.00 0.00 0.21 0.00 0.00 52.86 55.26 2i9a s ASN 22 Cb -0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2i9a s ASN 22 CO 0.00 -0.74 0.59 0.29 -2.79 0.00 0.00 177.10 174.45 2i9a n LYS 23 N 5.30 0.64 0.00 0.43 5.02 -1.26 -2.98 118.16 125.32 2i9a n LYS 23 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2i9a n LYS 23 Cb 0.43 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2i9a n LYS 23 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2i9a n TYR 24 N -0.39 0.00 -3.71 2.13 4.01 -1.26 -4.97 117.16 112.98 2i9a n TYR 24 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2i9a n TYR 24 Cb 0.03 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.64 2.25 0.59 -0.72 0.08 -1.16 -5.01 117.98 113.36 2i9a s PHE 25 Ca 0.00 -2.66 0.29 0.00 0.12 0.00 0.00 56.93 54.68 2i9a s PHE 25 Cb 0.00 -1.95 1.72 0.00 -0.57 0.00 0.00 43.02 42.22 2i9a s PHE 25 CO 0.00 -0.73 2.18 0.66 -0.10 0.00 0.00 175.22 177.23 2i9a h SER 26 N 6.21 0.00 0.52 1.36 4.64 -1.93 -0.19 113.55 124.16 2i9a h SER 26 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2i9a h SER 26 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2i9a h SER 26 CO 0.53 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 2i9a n ASN 27 N -3.87 0.30 -4.35 4.97 6.94 -1.26 -4.37 115.26 113.62 2i9a n ASN 27 Ca -0.01 0.58 -0.45 0.00 -0.02 0.00 0.00 54.58 54.68 2i9a n ASN 27 Cb 0.19 -0.64 -0.05 0.00 -2.36 0.00 0.00 39.78 36.92 2i9a n ASN 27 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2i9a s ILE 28 N -3.16 5.06 0.07 1.53 1.01 -0.08 -5.00 121.20 120.62 2i9a s ILE 28 Ca 0.05 -1.22 -0.26 0.00 0.00 0.00 0.00 60.65 59.21 2i9a s ILE 28 Cb 0.08 -4.37 0.08 0.00 0.01 0.00 0.00 42.46 38.27 2i9a s ILE 28 CO 0.29 -0.92 0.73 -1.38 0.00 0.00 0.00 174.94 173.66 2i9a s HIS 29 N 2.04 -0.47 0.33 3.97 -3.43 -1.26 -1.11 115.29 115.36 2i9a s HIS 29 Ca 0.07 0.37 -0.13 0.00 -0.80 0.00 0.00 55.06 54.57 2i9a s HIS 29 Cb -0.27 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.44 2i9a s HIS 29 CO 0.05 -0.69 0.63 1.67 -2.00 0.00 0.00 174.74 174.40 2i9a s TRP 30 N -3.18 0.36 -0.11 0.38 -2.14 -0.15 -5.00 118.94 109.10 2i9a s TRP 30 Ca 0.01 -0.82 -0.03 0.00 2.66 0.00 0.00 56.10 57.93 2i9a s TRP 30 Cb -0.01 0.44 -0.03 0.00 -3.10 0.00 0.00 33.47 30.77 2i9a s TRP 30 CO -0.09 -1.28 -0.01 0.00 -2.66 0.00 0.00 176.95 172.92 2i9a s ASN 32 N -0.47 6.15 0.06 0.00 0.01 0.46 -4.90 114.94 116.24 2i9a s ASN 32 Ca 0.08 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 2i9a s ASN 32 Cb -0.12 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 2i9a s ASN 32 CO 0.02 -0.02 0.18 0.00 -1.51 0.00 0.00 177.10 175.77 2i9a s PRO 34 N -2.47 1.11 0.28 0.00 0.02 -1.26 -4.91 135.00 127.77 2i9a s PRO 34 Ca 0.34 1.18 0.02 0.00 0.02 0.00 0.00 61.00 62.56 2i9a s PRO 34 Cb -0.13 -1.76 0.61 0.00 0.02 0.00 0.00 34.50 33.24 2i9a s PRO 34 CO 0.27 -2.45 1.79 0.87 -0.33 0.00 0.00 177.00 177.15 2i9a h LYS 35 N -1.72 0.76 0.00 5.54 6.56 -1.99 -1.80 116.57 123.93 2i9a h LYS 35 Ca -0.47 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 2i9a h LYS 35 Cb 1.27 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2i9a h LYS 35 CO 0.48 0.51 0.00 1.63 -2.06 0.00 0.00 179.45 180.01 2i9a n LYS 36 N -4.76 0.01 -4.79 3.15 5.02 -1.26 -4.83 118.16 110.71 2i9a n LYS 36 Ca 0.20 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.20 2i9a n LYS 36 Cb 0.46 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 2i9a n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2i9a s PHE 37 N -2.98 2.66 0.00 2.13 0.40 -0.68 -1.04 117.98 118.46 2i9a s PHE 37 Ca 0.14 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2i9a s PHE 37 Cb 0.18 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2i9a s PHE 37 CO 0.50 0.22 0.00 0.41 0.70 0.00 0.00 175.22 177.05 2i9a n GLY 38 N 1.98 4.48 0.00 4.36 0.00 0.70 -4.60 105.19 112.11 2i9a n GLY 38 Ca -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 3.25 -1.93 0.29 -0.02 0.00 -1.26 -1.20 105.19 104.32 2i9a n GLY 39 Ca 0.00 -1.52 0.16 0.00 0.00 0.00 0.00 46.02 44.66 2i9a n GLY 39 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2i9a h GLN 40 N 0.00 0.00 -0.08 1.61 -0.00 -1.99 -2.33 115.11 112.32 2i9a h GLN 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2i9a h GLN 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2i9a h GLN 40 CO 0.00 0.06 0.00 0.72 -0.00 0.00 0.00 178.83 179.61 2i9a n HIS 41 N -3.52 0.29 -2.23 0.06 8.25 -1.26 -4.01 115.22 112.80 2i9a n HIS 41 Ca -0.02 -0.93 -0.19 0.00 -0.26 0.00 0.00 57.72 56.32 2i9a n HIS 41 Cb 0.18 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 2i9a n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i9a n GLU 43 N -2.81 0.72 -3.32 0.00 0.00 -0.65 -4.55 120.64 110.04 2i9a n GLU 43 Ca -0.21 -0.50 -0.40 0.00 0.00 0.00 0.00 57.16 56.04 2i9a n GLU 43 Cb 0.66 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.52 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 -2.63 5.11 -0.59 3.84 -1.09 -0.34 -4.89 121.20 120.62 2i9a s ILE 44 Ca 0.19 0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 58.92 2i9a s ILE 44 Cb 0.18 -3.80 0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2i9a s ILE 44 CO 0.60 0.04 1.05 -0.62 -1.23 0.00 0.00 174.94 174.78 2i9a s ASP 45 N 1.65 6.33 0.52 3.58 -1.08 0.22 -0.22 116.67 127.67 2i9a s ASP 45 Ca 0.17 -0.31 0.31 0.00 -0.52 0.00 0.00 52.55 52.20 2i9a s ASP 45 Cb -0.16 -2.48 1.17 0.00 -1.46 0.00 0.00 42.92 39.99 2i9a s ASP 45 CO 0.11 -1.38 1.91 0.11 0.52 0.00 0.00 175.17 176.44 2i9a h LYS 46 N 9.48 0.00 0.00 4.34 1.57 -1.37 -3.28 116.57 127.30 2i9a h LYS 46 Ca -0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2i9a h LYS 46 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2i9a h LYS 46 CO 1.14 0.04 -1.76 -1.13 -0.57 0.00 0.00 179.45 177.17 2i9a n SER 47 N -3.14 1.48 -4.68 0.86 3.41 -1.26 -4.89 113.62 105.40 2i9a n SER 47 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 2i9a n SER 47 Cb 0.35 1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 65.81 2i9a n SER 47 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2i9a n LYS 48 N -2.13 2.54 0.00 4.33 3.00 -1.24 -4.88 118.16 119.79 2i9a n LYS 48 Ca -0.07 0.93 0.09 0.00 -0.00 0.00 0.00 58.31 59.26 2i9a n LYS 48 Cb 0.51 -2.80 0.02 0.00 0.00 0.00 0.00 35.03 32.75 2i9a n LYS 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2i9a n THR 49 N 4.76 0.00 -3.82 3.15 -2.24 -1.26 -4.46 114.28 110.42 2i9a n THR 49 Ca 0.19 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 2i9a n THR 49 Cb 0.34 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 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 -3.91 2.63 0.08 0.00 -0.85 0.08 -4.79 117.35 110.60 2i9a s TYR 51 Ca 0.12 -0.23 0.07 0.00 -0.52 0.00 0.00 57.07 56.51 2i9a s TYR 51 Cb -0.03 -1.24 -0.04 0.00 0.38 0.00 0.00 41.96 41.03 2i9a s TYR 51 CO 0.03 0.56 -0.13 -1.21 -1.52 0.00 0.00 175.55 173.28 2i9a s GLU 52 N -3.13 2.10 7.98 -3.49 2.02 -1.26 0.15 118.70 123.06 2i9a s GLU 52 Ca 0.27 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2i9a s GLU 52 Cb -0.08 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2i9a s GLU 52 CO 0.17 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2i9a n GLY 53 N 0.97 4.13 1.22 -1.39 0.00 -1.26 -1.16 105.19 107.70 2i9a n GLY 53 Ca -0.15 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 8.17 3.63 -0.00 1.61 6.94 -1.26 -4.94 115.26 129.41 2i9a n ASN 54 Ca 0.00 -2.00 -0.00 0.00 -0.02 0.00 0.00 54.58 52.56 2i9a n ASN 54 Cb 0.00 -0.33 -0.00 0.00 -2.36 0.00 0.00 39.78 37.09 2i9a n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i9a n GLY 55 N 1.55 0.45 0.38 4.83 0.00 -0.31 -3.56 105.19 108.53 2i9a n GLY 55 Ca 0.21 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.39 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 0.76 -0.62 1.61 6.17 -1.80 -0.67 115.15 120.60 2i9a h HIS 56 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2i9a h HIS 56 Cb 0.10 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 29.80 2i9a h HIS 56 CO 0.06 0.19 0.00 1.19 0.71 0.00 0.00 177.93 180.08 2i9a n PHE 57 N -4.61 0.83 -1.84 5.26 3.72 -1.26 -4.59 117.46 114.96 2i9a n PHE 57 Ca 0.21 -0.46 -0.42 0.00 -0.05 0.00 0.00 57.45 56.73 2i9a n PHE 57 Cb 0.65 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 2i9a n PHE 57 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2i9a s TYR 58 N -1.07 2.65 -0.05 1.38 5.04 -0.26 -4.89 117.35 120.15 2i9a s TYR 58 Ca 0.43 0.34 0.11 0.00 -2.44 0.00 0.00 57.07 55.51 2i9a s TYR 58 Cb 0.23 -4.04 0.20 0.00 0.35 0.00 0.00 41.96 38.71 2i9a s TYR 58 CO 0.30 -4.05 1.09 0.54 -1.34 0.00 0.00 175.55 172.09 2i9a n ARG 59 N 4.81 0.45 -0.16 4.97 5.12 -1.26 -4.78 116.66 125.81 2i9a n ARG 59 Ca 0.16 -1.82 -0.03 0.00 -1.93 0.00 0.00 57.85 54.23 2i9a n ARG 59 Cb 0.38 -0.73 0.02 0.00 -1.16 0.00 0.00 32.46 30.98 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 -0.33 -1.65 0.49 -0.13 0.00 -1.26 -0.61 105.19 101.71 2i9a n GLY 60 Ca 0.07 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.49 2.53 -1.72 1.61 5.02 -1.26 -4.67 118.16 118.18 2i9a n LYS 61 Ca 0.02 -2.38 -0.42 0.00 -2.02 0.00 0.00 58.31 53.51 2i9a n LYS 61 Cb 0.06 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 -0.50 1.55 -2.00 7.82 0.00 -1.26 -4.87 120.51 121.25 2i9a n ALA 62 Ca 0.14 0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.92 2i9a n ALA 62 Cb 0.62 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 0.60 0.00 -4.20 0.00 3.41 -1.26 -0.89 113.62 111.27 2i9a n SER 63 Ca 0.04 -1.54 -0.12 0.00 -0.26 0.00 0.00 58.87 56.99 2i9a n SER 63 Cb 0.37 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 2i9a n SER 63 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2i9a s THR 64 N 0.00 0.68 0.35 6.66 -4.23 -1.26 -1.46 115.64 116.37 2i9a s THR 64 Ca 0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 2i9a s THR 64 Cb 0.00 -1.91 0.07 0.00 1.34 0.00 0.00 72.50 72.01 2i9a s THR 64 CO -0.00 -0.67 0.47 -0.90 -0.54 0.00 0.00 174.62 172.99 2i9a n ASP 65 N -0.14 0.55 0.28 3.99 3.85 0.00 -1.29 116.55 123.79 2i9a n ASP 65 Ca -0.09 -1.49 0.18 0.00 -0.71 0.00 0.00 54.79 52.68 2i9a n ASP 65 Cb 0.62 -0.32 0.72 0.00 -1.35 0.00 0.00 41.12 40.79 2i9a n ASP 65 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2i9a h THR 66 N -0.58 0.00 -0.10 2.12 1.35 -1.64 -1.21 112.91 112.84 2i9a h THR 66 Ca -0.16 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2i9a h THR 66 Cb 0.56 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2i9a h THR 66 CO 0.16 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.66 2i9a n MET 67 N -3.07 1.76 -0.85 4.72 2.81 -1.26 -4.93 117.12 116.30 2i9a n MET 67 Ca 0.00 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 2i9a n MET 67 Cb 0.29 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.17 0.56 3.78 3.03 0.00 -0.46 -5.04 105.19 108.24 2i9a n GLY 68 Ca 0.17 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.36 4.56 0.34 1.61 0.52 -1.26 -4.77 118.95 119.59 2i9a s ARG 69 Ca 0.00 1.22 -0.28 0.00 -0.52 0.00 0.00 55.73 56.15 2i9a s ARG 69 Cb 0.00 -3.00 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 2i9a s ARG 69 CO 0.00 0.41 1.30 -1.25 0.02 0.00 0.00 175.30 175.78 2i9a s PRO 70 N -1.68 4.29 0.51 3.54 0.04 -1.26 -0.82 135.00 139.62 2i9a s PRO 70 Ca 0.44 2.19 -0.22 0.00 0.04 0.00 0.00 61.00 63.45 2i9a s PRO 70 Cb -0.21 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 2i9a s PRO 70 CO 0.25 -0.23 1.21 0.00 0.04 0.00 0.00 177.00 178.27 2i9a s LEU 72 N -3.41 4.60 0.53 0.00 1.43 0.40 -4.84 118.68 117.39 2i9a s LEU 72 Ca 0.69 1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 55.47 2i9a s LEU 72 Cb -0.31 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 2i9a s LEU 72 CO 0.36 0.08 1.39 -2.84 0.23 0.00 0.00 176.35 175.57 2i9a s PRO 73 N -0.82 3.25 0.49 1.29 0.02 -1.26 -4.65 135.00 133.32 2i9a s PRO 73 Ca 0.43 2.31 0.33 0.00 0.02 0.00 0.00 61.00 64.09 2i9a s PRO 73 Cb -0.25 -2.36 1.47 0.00 0.02 0.00 0.00 34.50 33.38 2i9a s PRO 73 CO 0.32 -1.13 1.97 -1.49 -0.33 0.00 0.00 177.00 176.34 2i9a h TRP 74 N 1.66 0.00 -0.42 6.54 4.06 -1.23 -1.80 115.95 124.75 2i9a h TRP 74 Ca -0.51 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.44 2i9a h TRP 74 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.45 2i9a h TRP 74 CO 0.47 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.62 2i9a n ASN 75 N -2.83 3.61 -4.77 -3.49 6.94 -1.25 -1.01 115.26 112.46 2i9a n ASN 75 Ca 0.00 -2.32 -0.35 0.00 -0.02 0.00 0.00 54.58 51.89 2i9a n ASN 75 Cb 0.22 -0.40 0.01 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.19 5.66 0.28 0.53 1.04 -0.68 -4.86 113.70 114.49 2i9a s SER 76 Ca 0.35 2.19 0.02 0.00 0.48 0.00 0.00 55.95 59.00 2i9a s SER 76 Cb 0.22 -2.58 0.58 0.00 0.10 0.00 0.00 66.02 64.34 2i9a s SER 76 CO 0.18 -1.26 1.82 0.00 0.98 0.00 0.00 173.24 174.95 2i9a h ALA 77 N 1.15 1.52 -0.23 5.32 0.00 -1.94 -0.66 119.26 124.41 2i9a h ALA 77 Ca -0.50 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2i9a h ALA 77 Cb 1.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2i9a h ALA 77 CO 0.57 0.16 0.14 1.15 0.00 0.00 0.00 179.25 181.26 2i9a h THR 78 N 0.93 1.09 -0.19 0.00 2.02 -1.93 -3.05 112.91 111.78 2i9a h THR 78 Ca 0.51 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 67.37 2i9a h THR 78 Cb 0.57 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2i9a h THR 78 CO -0.29 0.08 -0.37 0.58 0.37 0.00 0.00 175.52 175.89 2i9a h VAL 79 N 0.29 1.30 0.00 3.16 2.07 -1.66 -2.57 116.25 118.84 2i9a h VAL 79 Ca 0.08 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2i9a h VAL 79 Cb 0.01 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2i9a h VAL 79 CO -0.02 0.46 0.02 0.18 0.02 0.00 0.00 177.57 178.23 2i9a n LEU 80 N -4.05 0.07 -0.17 2.57 4.77 -0.31 -0.40 117.00 119.48 2i9a n LEU 80 Ca -0.01 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 2i9a n LEU 80 Cb 0.47 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.16 2i9a n LEU 80 CO 0.43 -0.53 0.32 0.00 -1.33 0.00 0.00 177.39 176.27 2i9a n GLN 81 N -1.57 0.46 -2.94 3.23 1.13 -0.97 -4.98 117.38 111.74 2i9a n GLN 81 Ca -0.00 -0.34 -0.20 0.00 -1.94 0.00 0.00 57.00 54.52 2i9a n GLN 81 Cb 0.02 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 28.95 2i9a n GLN 81 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2i9a s GLN 82 N -2.77 2.21 0.24 -1.09 -1.52 0.47 -5.02 119.66 112.19 2i9a s GLN 82 Ca 0.15 -1.50 -0.05 0.00 -1.95 0.00 0.00 55.36 52.01 2i9a s GLN 82 Cb 0.18 -2.59 0.27 0.00 -0.22 0.00 0.00 33.01 30.65 2i9a s GLN 82 CO 0.68 -0.94 1.80 1.15 -0.25 0.00 0.00 175.29 177.73 2i9a h THR 83 N 0.06 1.24 -3.68 -0.19 2.02 -1.94 -3.42 112.91 107.01 2i9a h THR 83 Ca -0.32 -0.83 -0.68 0.00 0.77 0.00 0.00 66.41 65.36 2i9a h THR 83 Cb 1.28 0.49 -0.34 0.00 -1.74 0.00 0.00 68.15 67.85 2i9a h THR 83 CO 0.41 0.32 -0.75 -0.31 0.37 0.00 0.00 175.52 175.56 2i9a s TYR 84 N -5.38 3.18 0.23 3.16 2.02 -1.26 -5.01 117.35 114.29 2i9a s TYR 84 Ca -0.11 -1.89 -0.13 0.00 -0.37 0.00 0.00 57.07 54.57 2i9a s TYR 84 Cb 0.16 -2.03 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2i9a s TYR 84 CO 0.82 -0.80 0.46 -3.38 -1.57 0.00 0.00 175.55 171.08 2i9a s HIS 85 N 1.24 0.33 -1.10 2.71 -3.43 -1.26 -4.86 115.29 108.91 2i9a s HIS 85 Ca -0.04 -0.69 0.18 0.00 -0.80 0.00 0.00 55.06 53.71 2i9a s HIS 85 Cb -0.18 0.17 0.78 0.00 -1.43 0.00 0.00 32.58 31.92 2i9a s HIS 85 CO -0.04 -0.95 1.55 0.00 -2.00 0.00 0.00 174.74 173.30 2i9a n ALA 86 N -0.36 1.84 -0.16 -1.38 0.00 -0.18 -2.80 120.51 117.48 2i9a n ALA 86 Ca -0.03 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2i9a n ALA 86 Cb 0.62 -1.28 0.26 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.45 0.75 -1.85 0.00 8.25 -1.26 -4.80 115.22 114.85 2i9a n HIS 87 Ca 0.05 -0.43 -0.36 0.00 -0.26 0.00 0.00 57.72 56.73 2i9a n HIS 87 Cb 0.19 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.34 2i9a n HIS 87 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2i9a s ARG 88 N -1.11 2.75 0.57 -0.41 0.52 -1.12 -4.92 118.95 115.23 2i9a s ARG 88 Ca 0.41 1.83 0.28 0.00 -0.52 0.00 0.00 55.73 57.74 2i9a s ARG 88 Cb 0.22 -1.90 1.71 0.00 0.52 0.00 0.00 34.95 35.50 2i9a s ARG 88 CO 0.29 -1.38 2.21 0.77 0.02 0.00 0.00 175.30 177.20 2i9a h SER 89 N 0.58 0.00 -0.54 0.23 0.02 -1.92 -2.41 113.55 109.51 2i9a h SER 89 Ca -0.50 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 2i9a h SER 89 Cb 1.30 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.79 2i9a h SER 89 CO 0.54 0.03 0.10 -0.90 -1.14 0.00 0.00 176.83 175.46 2i9a n ASP 90 N -3.83 4.73 -0.22 3.07 3.85 -1.26 -4.68 116.55 118.22 2i9a n ASP 90 Ca -0.03 -3.12 -0.04 0.00 -0.71 0.00 0.00 54.79 50.89 2i9a n ASP 90 Cb 0.12 -0.67 0.13 0.00 -1.35 0.00 0.00 41.12 39.35 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 2.75 1.15 -0.20 2.12 0.00 -1.73 -1.88 119.26 121.48 2i9a h ALA 91 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i9a h ALA 91 Cb 1.96 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2i9a h ALA 91 CO 0.51 0.60 0.12 1.25 0.00 0.00 0.00 179.25 181.74 2i9a h LEU 92 N 1.01 0.24 -1.62 0.00 6.46 -1.83 -0.48 115.31 119.08 2i9a h LEU 92 Ca 0.23 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2i9a h LEU 92 Cb 0.21 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2i9a h LEU 92 CO -0.02 0.21 0.28 -0.61 -0.62 0.00 0.00 178.44 177.69 2i9a h GLN 93 N 0.24 0.49 -0.00 1.25 5.75 -1.82 -2.34 115.11 118.68 2i9a h GLN 93 Ca 0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2i9a h GLN 93 Cb 0.02 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.46 2i9a h GLN 93 CO -0.01 0.33 -0.44 1.28 -2.65 0.00 0.00 178.83 177.34 2i9a n LEU 94 N -4.48 0.54 -0.97 -2.39 4.77 -0.74 -4.95 117.00 108.78 2i9a n LEU 94 Ca 0.04 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2i9a n LEU 94 Cb 0.11 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2i9a n LEU 94 CO 0.35 0.13 -0.11 0.61 -1.33 0.00 0.00 177.39 177.04 2i9a n GLY 95 N 1.48 0.09 3.49 -0.72 0.00 -0.50 -4.75 105.19 104.28 2i9a n GLY 95 Ca 0.07 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.48 4.84 0.00 0.99 1.43 -0.31 -5.00 118.68 118.15 2i9a s LEU 96 Ca 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2i9a s LEU 96 Cb 0.00 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2i9a s LEU 96 CO 0.00 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2i9a n GLY 97 N 5.11 5.52 2.61 -3.19 0.00 -1.26 -4.44 105.19 109.54 2i9a n GLY 97 Ca -0.11 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 3.19 -3.81 1.61 5.02 -1.26 -3.85 118.16 119.06 2i9a n LYS 98 Ca 0.00 -2.55 -0.05 0.00 -2.02 0.00 0.00 58.31 53.69 2i9a n LYS 98 Cb 0.00 -3.11 -0.01 0.00 -0.02 0.00 0.00 35.03 31.89 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 2.64 -0.10 -0.28 2.13 -3.43 -1.26 -5.02 115.29 109.97 2i9a s HIS 99 Ca 0.54 -0.31 0.08 0.00 -0.80 0.00 0.00 55.06 54.56 2i9a s HIS 99 Cb 0.15 0.69 0.45 0.00 -1.43 0.00 0.00 32.58 32.44 2i9a s HIS 99 CO -0.08 -1.05 1.21 0.27 -2.00 0.00 0.00 174.74 173.09 2i9a n ASN 100 N -0.66 4.30 -4.79 7.38 6.94 -1.26 -1.08 115.26 126.09 2i9a n ASN 100 Ca -0.05 -3.78 -0.38 0.00 -0.02 0.00 0.00 54.58 50.34 2i9a n ASN 100 Cb 0.60 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 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 -3.53 3.82 0.48 -2.53 2.02 -1.26 -4.49 117.35 111.86 2i9a s TYR 101 Ca 0.49 1.57 -0.24 0.00 -0.37 0.00 0.00 57.07 58.51 2i9a s TYR 101 Cb 0.40 -2.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.17 2i9a s TYR 101 CO 0.02 0.45 1.35 0.00 -1.57 0.00 0.00 175.55 175.80 2i9a s ARG 103 N -2.62 1.50 -0.40 0.00 1.81 -0.45 -4.81 118.95 113.99 2i9a s ARG 103 Ca 0.65 -1.56 0.09 0.00 -1.72 0.00 0.00 55.73 53.18 2i9a s ARG 103 Cb -0.40 0.37 0.29 0.00 -0.45 0.00 0.00 34.95 34.77 2i9a s ARG 103 CO 0.49 -0.57 0.66 -1.71 -0.68 0.00 0.00 175.30 173.49 2i9a n ASN 104 N -0.64 -0.04 0.25 0.23 5.15 -1.26 -0.92 115.26 118.03 2i9a n ASN 104 Ca 0.01 -2.92 0.11 0.00 -0.60 0.00 0.00 54.58 51.18 2i9a n ASN 104 Cb 0.63 -0.24 0.64 0.00 -0.53 0.00 0.00 39.78 40.29 2i9a n ASN 104 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2i9a h PRO 105 N 3.59 0.00 -0.43 1.20 0.13 -1.86 -3.12 132.00 131.52 2i9a h PRO 105 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2i9a h PRO 105 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2i9a h PRO 105 CO 0.44 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 2i9a n ASP 106 N -3.71 3.83 -3.63 1.44 5.75 -1.26 -4.98 116.55 113.99 2i9a n ASP 106 Ca -0.02 -2.45 -0.20 0.00 -0.01 0.00 0.00 54.79 52.12 2i9a n ASP 106 Cb 0.28 -0.44 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 2i9a n ASP 106 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2i9a n ASN 107 N 0.43 -1.38 -2.69 -1.12 3.02 -1.18 -5.01 115.26 107.33 2i9a n ASN 107 Ca 0.19 -0.77 -0.03 0.00 -0.03 0.00 0.00 54.58 53.94 2i9a n ASN 107 Cb 0.72 -4.34 0.03 0.00 -0.61 0.00 0.00 39.78 35.57 2i9a n ASN 107 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i9a n ARG 108 N -4.23 -1.43 0.06 3.52 5.12 -1.26 -4.95 116.66 113.49 2i9a n ARG 108 Ca -0.30 -0.19 -0.03 0.00 -1.93 0.00 0.00 57.85 55.40 2i9a n ARG 108 Cb 0.68 -0.19 0.21 0.00 -1.16 0.00 0.00 32.46 32.00 2i9a n ARG 108 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2i9a h ARG 109 N 0.00 0.34 -2.90 5.56 2.43 -1.95 -3.46 114.38 114.40 2i9a h ARG 109 Ca -0.05 -0.15 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2i9a h ARG 109 Cb 0.14 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2i9a h ARG 109 CO 0.03 0.65 0.28 -0.98 -1.51 0.00 0.00 179.97 178.44 2i9a s ARG 110 N -4.28 1.74 0.70 0.20 1.70 -1.23 -4.45 118.95 113.32 2i9a s ARG 110 Ca -0.06 -0.98 -0.16 0.00 -0.47 0.00 0.00 55.73 54.06 2i9a s ARG 110 Cb 0.13 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 35.11 2i9a s ARG 110 CO 0.78 -0.80 1.23 -2.14 -1.08 0.00 0.00 175.30 173.29 2i9a s PRO 111 N -3.65 2.30 0.30 3.89 0.02 -1.25 -4.83 135.00 131.78 2i9a s PRO 111 Ca 0.12 1.85 -0.07 0.00 0.02 0.00 0.00 61.00 62.92 2i9a s PRO 111 Cb -0.05 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2i9a s PRO 111 CO 0.07 -1.74 0.47 1.67 -0.33 0.00 0.00 177.00 177.14 2i9a s TRP 112 N -1.80 0.77 0.22 6.54 1.48 -0.09 -1.42 118.94 124.64 2i9a s TRP 112 Ca 0.77 -1.07 -0.11 0.00 -1.06 0.00 0.00 56.10 54.62 2i9a s TRP 112 Cb -0.31 0.03 -0.01 0.00 -1.16 0.00 0.00 33.47 32.02 2i9a s TRP 112 CO 0.43 -1.08 0.41 0.00 -4.06 0.00 0.00 176.95 172.66 2i9a s TYR 114 N -4.01 3.86 0.02 0.00 2.02 -1.26 -0.97 117.35 117.01 2i9a s TYR 114 Ca 0.22 1.79 0.04 0.00 -0.37 0.00 0.00 57.07 58.75 2i9a s TYR 114 Cb 0.01 -3.00 -0.02 0.00 -0.40 0.00 0.00 41.96 38.55 2i9a s TYR 114 CO 0.07 0.30 -0.13 0.08 -1.57 0.00 0.00 175.55 174.29 2i9a s VAL 115 N -0.39 1.03 -0.16 0.71 1.01 -0.11 -0.45 120.40 122.05 2i9a s VAL 115 Ca 0.44 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2i9a s VAL 115 Cb -0.24 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2i9a s VAL 115 CO 0.30 0.08 1.45 -1.58 0.00 0.00 0.00 175.10 175.35 2i9a s GLN 116 N -0.85 4.10 -0.31 2.72 2.00 -1.26 -0.16 119.66 125.90 2i9a s GLN 116 Ca 0.02 1.78 0.01 0.00 -2.00 0.00 0.00 55.36 55.17 2i9a s GLN 116 Cb -0.07 -3.89 0.09 0.00 0.80 0.00 0.00 33.01 29.94 2i9a s GLN 116 CO 0.01 -0.90 0.06 0.08 -0.50 0.00 0.00 175.29 174.04 2i9a s VAL 117 N 4.07 1.39 0.00 1.34 1.01 -0.09 -4.93 120.40 123.19 2i9a s VAL 117 Ca 0.64 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2i9a s VAL 117 Cb -0.25 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2i9a s VAL 117 CO 0.23 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.36 2i9a n GLY 118 N 4.64 3.03 0.30 4.51 0.00 -1.26 -2.82 105.19 113.59 2i9a n GLY 118 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2i9a n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i9a n LEU 119 N 0.00 1.09 -4.20 0.99 4.77 -1.26 -4.91 117.00 113.48 2i9a n LEU 119 Ca 0.00 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.54 2i9a n LEU 119 Cb 0.00 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2i9a n LEU 119 CO 0.00 0.19 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.30 2i9a s LYS 120 N -2.33 0.92 0.23 3.23 1.02 -1.13 -5.14 119.74 116.55 2i9a s LYS 120 Ca 0.30 -1.29 -0.25 0.00 0.02 0.00 0.00 55.97 54.75 2i9a s LYS 120 Cb 0.20 -0.51 -0.09 0.00 -0.52 0.00 0.00 37.83 36.91 2i9a s LYS 120 CO 0.45 0.06 0.84 -1.25 -0.92 0.00 0.00 175.35 174.53 2i9a s PRO 121 N -3.28 4.55 0.03 -1.68 0.04 -1.26 -0.92 135.00 132.49 2i9a s PRO 121 Ca 0.10 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.41 2i9a s PRO 121 Cb 0.00 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 2i9a s PRO 121 CO -0.01 0.44 -0.21 -0.51 0.04 0.00 0.00 177.00 176.76 2i9a s LEU 122 N -1.59 2.15 0.00 -3.56 1.02 0.78 -4.86 118.68 112.61 2i9a s LEU 122 Ca 0.42 -0.50 -0.30 0.00 0.02 0.00 0.00 54.13 53.77 2i9a s LEU 122 Cb -0.21 -1.00 -0.06 0.00 0.02 0.00 0.00 46.19 44.94 2i9a s LEU 122 CO 0.25 0.18 1.43 -0.69 0.02 0.00 0.00 176.35 177.54 2i9a s VAL 123 N -0.75 3.66 0.03 -1.59 1.01 -1.26 -0.93 120.40 120.57 2i9a s VAL 123 Ca 0.08 1.04 0.05 0.00 0.00 0.00 0.00 61.98 63.15 2i9a s VAL 123 Cb -0.09 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2i9a s VAL 123 CO 0.01 -0.01 -0.15 -1.10 0.00 0.00 0.00 175.10 173.86 2i9a s GLN 124 N 2.50 1.01 0.29 2.72 -1.52 -0.14 -4.95 119.66 119.57 2i9a s GLN 124 Ca 0.65 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 53.01 2i9a s GLN 124 Cb -0.32 -1.03 -0.11 0.00 -0.22 0.00 0.00 33.01 31.33 2i9a s GLN 124 CO 0.27 0.26 1.60 -2.00 -0.25 0.00 0.00 175.29 175.17 2i9a s GLU 125 N -1.04 4.12 0.44 2.91 2.12 -1.26 -1.62 118.70 124.36 2i9a s GLU 125 Ca 0.03 2.59 -0.22 0.00 0.36 0.00 0.00 54.97 57.72 2i9a s GLU 125 Cb -0.08 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 31.20 2i9a s GLU 125 CO 0.01 -0.64 1.03 0.00 -0.54 0.00 0.00 175.26 175.12 2i9a n MET 127 N -0.50 3.27 -3.74 0.00 1.56 -0.41 -4.57 117.12 112.73 2i9a n MET 127 Ca 0.07 -3.50 -0.13 0.00 -0.27 0.00 0.00 57.70 53.86 2i9a n MET 127 Cb 0.51 -3.29 -0.09 0.00 2.15 0.00 0.00 33.22 32.50 2i9a n MET 127 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2i9a s VAL 128 N 3.00 0.03 0.27 1.12 0.11 -1.26 -4.81 120.40 118.86 2i9a s VAL 128 Ca 0.49 -0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.39 2i9a s VAL 128 Cb 0.02 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2i9a s VAL 128 CO 0.04 -0.13 0.13 -1.00 -3.33 0.00 0.00 175.10 170.81 2i9a s HIS 129 N -0.63 2.94 0.19 1.54 0.09 -1.26 -4.92 115.29 113.24 2i9a s HIS 129 Ca -0.07 -0.17 -0.30 0.00 -0.00 0.00 0.00 55.06 54.51 2i9a s HIS 129 Cb -0.04 -1.36 -0.09 0.00 -0.00 0.00 0.00 32.58 31.09 2i9a s HIS 129 CO 0.03 0.53 1.36 0.34 -0.00 0.00 0.00 174.74 177.00 2i9a s ASP 130 N -3.79 6.81 0.34 1.40 3.68 -1.26 -0.74 116.67 123.11 2i9a s ASP 130 Ca 0.33 2.46 0.04 0.00 2.13 0.00 0.00 52.55 57.51 2i9a s ASP 130 Cb -0.07 -2.61 0.66 0.00 -1.45 0.00 0.00 42.92 39.46 2i9a s ASP 130 CO 0.23 -0.60 1.94 0.00 0.13 0.00 0.00 175.17 176.87 2i9a h ALA 132 N 1.57 1.47 0.00 0.00 0.00 -1.91 -3.50 119.26 116.88 2i9a h ALA 132 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2i9a h ALA 132 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2i9a h ALA 132 CO -0.12 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.07