#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9a n HIS 5 N 0.00 0.01 -4.10 4.31 1.44 -1.26 -1.84 115.22 113.78 1i9a n HIS 5 Ca 0.00 -0.31 -0.14 0.00 -2.01 0.00 0.00 57.72 55.25 1i9a n HIS 5 Cb 0.00 -0.04 -0.13 0.00 0.12 0.00 0.00 29.99 29.94 1i9a n HIS 5 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1i9a s VAL 6 N -1.15 0.47 -0.48 0.61 1.01 0.27 -4.56 120.40 116.56 1i9a s VAL 6 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1i9a s VAL 6 Cb -0.00 -0.48 0.08 0.00 0.00 0.00 0.00 36.38 35.98 1i9a s VAL 6 CO 0.00 -0.16 0.44 -0.63 0.00 0.00 0.00 175.10 174.75 1i9a s ILE 7 N -0.80 5.18 0.80 2.22 1.01 -1.26 -1.85 121.20 126.50 1i9a s ILE 7 Ca -0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.45 1i9a s ILE 7 Cb -0.06 -4.17 0.06 0.00 0.01 0.00 0.00 42.46 38.30 1i9a s ILE 7 CO 0.00 -0.64 1.06 0.18 0.00 0.00 0.00 174.94 175.55 1i9a n LEU 8 N 5.35 3.71 -3.96 2.97 4.77 -0.83 -1.94 117.00 127.07 1i9a n LEU 8 Ca -0.12 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 1i9a n LEU 8 Cb 0.44 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 39.96 1i9a n LEU 8 CO 0.49 -1.98 -0.33 -0.76 -1.33 0.00 0.00 177.39 173.47 1i9a s LEU 9 N -4.57 2.13 0.48 2.23 1.43 0.22 -2.86 118.68 117.75 1i9a s LEU 9 Ca 0.72 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 1i9a s LEU 9 Cb -0.30 0.18 0.03 0.00 0.03 0.00 0.00 46.19 46.13 1i9a s LEU 9 CO 0.52 -0.30 0.66 0.54 0.23 0.00 0.00 176.35 178.01 1i9a s ASN 10 N -1.39 5.43 0.29 2.29 4.22 -1.01 -4.56 114.94 120.21 1i9a s ASN 10 Ca -0.15 -0.44 0.07 0.00 -2.14 0.00 0.00 52.86 50.20 1i9a s ASN 10 Cb -0.09 -0.48 0.84 0.00 1.28 0.00 0.00 41.25 42.79 1i9a s ASN 10 CO -0.01 -0.98 1.40 0.00 -2.04 0.00 0.00 177.10 175.47 1i9a n ALA 11 N -2.05 0.59 1.66 3.54 0.00 -1.26 0.91 120.51 123.90 1i9a n ALA 11 Ca 0.10 0.94 0.04 0.00 0.00 0.00 0.00 53.44 54.52 1i9a n ALA 11 Cb 0.60 -0.76 0.16 0.00 0.00 0.00 0.00 19.45 19.45 1i9a n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i9a n GLN 12 N -5.22 1.26 -2.31 0.00 3.00 -1.26 -4.89 117.38 107.96 1i9a n GLN 12 Ca 0.25 -0.40 -0.08 0.00 -0.01 0.00 0.00 57.00 56.76 1i9a n GLN 12 Cb 0.82 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 29.92 1i9a n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i9a n GLY 13 N 0.74 0.14 3.48 1.08 0.00 0.26 -5.04 105.19 105.86 1i9a n GLY 13 Ca 0.07 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1i9a n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i9a s VAL 14 N -2.53 4.15 0.34 1.61 1.01 -1.25 -4.84 120.40 118.88 1i9a s VAL 14 Ca 0.05 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 1i9a s VAL 14 Cb -0.02 -2.88 -0.13 0.00 0.00 0.00 0.00 36.38 33.35 1i9a s VAL 14 CO 0.06 0.42 0.88 -2.65 0.00 0.00 0.00 175.10 173.81 1i9a n PRO 15 N 4.18 1.09 0.00 2.72 -0.02 -1.26 -2.42 135.00 139.30 1i9a n PRO 15 Ca -0.17 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1i9a n PRO 15 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1i9a n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9a n THR 16 N -0.19 0.00 -3.17 3.45 -2.24 -1.13 -4.87 114.28 106.13 1i9a n THR 16 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1i9a n THR 16 Cb 0.35 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1i9a n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i9a n GLY 17 N 0.93 1.01 2.91 3.38 0.00 -1.26 -5.02 105.19 107.15 1i9a n GLY 17 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1i9a n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9a s THR 18 N -2.21 -0.02 -0.03 2.61 2.01 -1.26 -1.96 115.64 114.78 1i9a s THR 18 Ca 0.00 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1i9a s THR 18 Cb 0.00 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.41 1i9a s THR 18 CO 0.00 0.02 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.14 1i9a s LEU 19 N 0.33 1.58 0.34 4.42 1.43 -0.77 -4.95 118.68 121.06 1i9a s LEU 19 Ca -0.03 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 1i9a s LEU 19 Cb -0.04 -0.43 -0.12 0.00 0.03 0.00 0.00 46.19 45.63 1i9a s LEU 19 CO -0.01 -0.00 1.38 1.21 0.23 0.00 0.00 176.35 179.15 1i9a n GLU 20 N 3.64 2.32 -0.12 1.70 0.00 -1.26 -0.57 120.64 126.35 1i9a n GLU 20 Ca -0.21 0.81 -0.05 0.00 0.00 0.00 0.00 57.16 57.71 1i9a n GLU 20 Cb 0.53 -2.46 0.02 0.00 0.00 0.00 0.00 31.44 29.53 1i9a n GLU 20 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1i9a h LYS 21 N 2.93 0.03 -0.46 5.31 2.10 -1.61 -1.13 116.57 123.75 1i9a h LYS 21 Ca -0.47 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 1i9a h LYS 21 Cb 1.27 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1i9a h LYS 21 CO 0.65 0.02 0.18 -0.92 -2.00 0.00 0.00 179.45 177.38 1i9a h TYR 22 N 0.03 0.65 0.00 0.07 3.20 -1.90 -2.06 116.97 116.96 1i9a h TYR 22 Ca 0.19 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1i9a h TYR 22 Cb 0.29 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1i9a h TYR 22 CO -0.32 0.51 -0.09 0.00 -1.64 0.00 0.00 178.16 176.62 1i9a n ALA 23 N -2.47 2.44 0.09 1.82 0.00 -0.88 -3.79 120.51 117.72 1i9a n ALA 23 Ca 0.03 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1i9a n ALA 23 Cb 0.15 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1i9a n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i9a h ALA 24 N 2.73 0.15 -2.05 0.00 0.00 -0.49 -3.44 119.26 116.18 1i9a h ALA 24 Ca 0.00 -0.97 -0.67 0.00 0.00 0.00 0.00 54.91 53.27 1i9a h ALA 24 Cb 0.63 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.38 1i9a h ALA 24 CO 0.00 1.03 0.16 -1.01 0.00 0.00 0.00 179.25 179.42 1i9a s HIS 25 N -2.64 3.00 0.00 0.00 3.76 -1.17 -4.35 115.29 113.89 1i9a s HIS 25 Ca -0.06 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1i9a s HIS 25 Cb 0.07 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1i9a s HIS 25 CO 0.88 -1.08 0.00 0.25 -0.85 0.00 0.00 174.74 173.93 1i9a n THR 26 N 5.75 0.00 1.24 1.30 -2.24 -1.26 -4.86 114.28 114.21 1i9a n THR 26 Ca -0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1i9a n THR 26 Cb 0.46 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.03 1i9a n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i9a n ALA 27 N -3.00 2.51 -2.72 6.98 0.00 -1.26 -0.41 120.51 122.61 1i9a n ALA 27 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1i9a n ALA 27 Cb 0.00 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.44 1i9a n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1i9a n ASP 28 N 0.25 0.32 -4.63 0.00 2.03 -1.26 -4.86 116.55 108.40 1i9a n ASP 28 Ca 0.15 -2.09 -0.48 0.00 0.52 0.00 0.00 54.79 52.89 1i9a n ASP 28 Cb 0.29 -0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.65 1i9a n ASP 28 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1i9a n THR 29 N -0.87 0.55 -3.10 5.18 -1.04 -1.25 -4.97 114.28 108.78 1i9a n THR 29 Ca -0.04 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.53 1i9a n THR 29 Cb 0.85 -1.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.14 1i9a n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1i9a s ARG 30 N 0.04 3.82 0.11 -2.82 0.52 -1.26 -4.68 118.95 114.68 1i9a s ARG 30 Ca 0.75 0.42 -0.35 0.00 -0.52 0.00 0.00 55.73 56.03 1i9a s ARG 30 Cb -0.77 -2.48 -0.14 0.00 0.52 0.00 0.00 34.95 32.07 1i9a s ARG 30 CO 0.47 0.11 1.57 -0.11 0.02 0.00 0.00 175.30 177.37 1i9a n LEU 31 N -0.80 2.87 -4.08 2.53 7.94 -1.26 -4.65 117.00 119.57 1i9a n LEU 31 Ca 0.02 1.08 -0.10 0.00 -1.11 0.00 0.00 56.01 55.89 1i9a n LEU 31 Cb 0.53 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1i9a n LEU 31 CO 0.46 -0.39 -0.02 -1.38 -1.11 0.00 0.00 177.39 174.94 1i9a s HIS 32 N 1.23 0.69 0.14 1.96 -3.43 -0.44 -0.61 115.29 114.84 1i9a s HIS 32 Ca 0.82 -1.00 -0.30 0.00 -0.80 0.00 0.00 55.06 53.78 1i9a s HIS 32 Cb -0.73 -0.15 -0.07 0.00 -1.43 0.00 0.00 32.58 30.20 1i9a s HIS 32 CO 0.41 -0.81 1.03 -0.51 -2.00 0.00 0.00 174.74 172.86 1i9a s LEU 33 N -3.07 4.50 0.26 5.38 1.43 -0.82 -1.63 118.68 124.73 1i9a s LEU 33 Ca 0.28 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1i9a s LEU 33 Cb 0.03 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 1i9a s LEU 33 CO 0.09 -0.14 0.47 0.00 0.23 0.00 0.00 176.35 177.00 1i9a s ALA 34 N -0.11 -0.06 0.25 4.21 0.00 -0.86 -4.03 121.76 121.17 1i9a s ALA 34 Ca 0.48 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1i9a s ALA 34 Cb -0.26 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1i9a s ALA 34 CO 0.32 -0.84 0.19 -0.59 0.00 0.00 0.00 175.76 174.85 1i9a s PHE 35 N -3.86 1.40 -0.16 0.00 -0.12 -0.53 -3.50 117.98 111.20 1i9a s PHE 35 Ca 0.24 -1.49 -0.21 0.00 -0.05 0.00 0.00 56.93 55.41 1i9a s PHE 35 Cb -0.00 -0.62 0.05 0.00 -0.63 0.00 0.00 43.02 41.82 1i9a s PHE 35 CO 0.11 -0.74 0.56 0.45 -0.05 0.00 0.00 175.22 175.55 1i9a s SER 36 N -3.25 -0.56 -0.01 1.98 0.15 -1.09 -2.23 113.70 108.69 1i9a s SER 36 Ca 0.40 0.93 -0.06 0.00 0.70 0.00 0.00 55.95 57.92 1i9a s SER 36 Cb 0.05 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1i9a s SER 36 CO 0.18 -0.31 0.12 -0.94 1.20 0.00 0.00 173.24 173.49 1i9a s SER 37 N -0.21 0.01 -0.15 5.45 1.04 0.20 0.11 113.70 120.13 1i9a s SER 37 Ca -0.04 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1i9a s SER 37 Cb -0.03 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1i9a s SER 37 CO 0.03 -0.27 -0.18 0.26 0.98 0.00 0.00 173.24 174.06 1i9a s TRP 38 N -0.99 2.74 -0.07 5.02 0.52 -0.15 -2.43 118.94 123.59 1i9a s TRP 38 Ca -0.11 -1.23 0.01 0.00 0.02 0.00 0.00 56.10 54.79 1i9a s TRP 38 Cb -0.06 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1i9a s TRP 38 CO 0.01 -0.57 -0.07 -0.51 0.02 0.00 0.00 176.95 175.82 1i9a s LEU 39 N 0.90 3.14 -0.03 2.99 1.43 -1.26 -1.58 118.68 124.27 1i9a s LEU 39 Ca -0.04 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1i9a s LEU 39 Cb -0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1i9a s LEU 39 CO -0.03 0.35 -0.23 -0.36 0.23 0.00 0.00 176.35 176.32 1i9a s PHE 40 N -0.72 2.09 0.95 0.29 0.40 -0.87 -0.83 117.98 119.29 1i9a s PHE 40 Ca 0.11 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 55.83 1i9a s PHE 40 Cb -0.11 -1.35 0.18 0.00 0.51 0.00 0.00 43.02 42.24 1i9a s PHE 40 CO 0.02 -0.08 1.25 0.54 0.70 0.00 0.00 175.22 177.64 1i9a s ASN 41 N -0.40 3.18 0.21 1.36 2.20 -0.43 -1.07 114.94 119.99 1i9a s ASN 41 Ca 0.05 0.49 -0.16 0.00 -0.94 0.00 0.00 52.86 52.30 1i9a s ASN 41 Cb -0.10 -0.70 0.22 0.00 -2.00 0.00 0.00 41.25 38.67 1i9a s ASN 41 CO 0.00 -2.71 1.60 0.00 -2.94 0.00 0.00 177.10 173.05 1i9a h ALA 42 N -1.62 0.26 0.00 3.54 0.00 -1.92 0.23 119.26 119.76 1i9a h ALA 42 Ca -0.45 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1i9a h ALA 42 Cb 1.27 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1i9a h ALA 42 CO 0.46 -0.52 0.00 1.63 0.00 0.00 0.00 179.25 180.82 1i9a n LYS 43 N -5.46 0.05 -0.02 0.00 5.02 -1.26 -4.85 118.16 111.64 1i9a n LYS 43 Ca 0.08 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1i9a n LYS 43 Cb 0.37 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1i9a n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i9a n GLY 44 N -0.80 0.50 3.75 0.72 0.00 0.82 -5.06 105.19 105.11 1i9a n GLY 44 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1i9a n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i9a s GLN 45 N -0.98 4.50 0.19 1.61 -0.21 -1.26 -4.74 119.66 118.78 1i9a s GLN 45 Ca 0.00 1.95 -0.23 0.00 0.02 0.00 0.00 55.36 57.10 1i9a s GLN 45 Cb 0.00 -3.17 -0.08 0.00 1.00 0.00 0.00 33.01 30.76 1i9a s GLN 45 CO 0.00 -0.01 0.76 -1.17 -2.12 0.00 0.00 175.29 172.75 1i9a s LEU 46 N -1.08 4.50 -0.35 2.90 2.96 0.13 -1.32 118.68 126.42 1i9a s LEU 46 Ca 0.49 1.58 -0.13 0.00 -0.22 0.00 0.00 54.13 55.84 1i9a s LEU 46 Cb -0.35 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1i9a s LEU 46 CO 0.43 0.14 0.26 -0.22 -1.32 0.00 0.00 176.35 175.64 1i9a s LEU 47 N -1.47 4.57 -0.13 -0.68 0.20 -0.01 -0.70 118.68 120.46 1i9a s LEU 47 Ca 0.39 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.73 1i9a s LEU 47 Cb -0.21 -2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 43.35 1i9a s LEU 47 CO 0.24 -0.27 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.34 1i9a s VAL 48 N 1.76 4.24 0.32 1.68 1.01 0.28 -2.85 120.40 126.84 1i9a s VAL 48 Ca 0.07 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.90 1i9a s VAL 48 Cb -0.17 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1i9a s VAL 48 CO 0.11 0.54 -0.14 0.42 0.00 0.00 0.00 175.10 176.03 1i9a s THR 49 N -0.23 2.31 -0.14 3.92 -4.23 -0.97 -0.12 115.64 116.19 1i9a s THR 49 Ca 0.05 -2.28 0.03 0.00 -1.18 0.00 0.00 61.69 58.31 1i9a s THR 49 Cb -0.12 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1i9a s THR 49 CO 0.02 -0.29 -0.22 -0.60 -0.54 0.00 0.00 174.62 172.99 1i9a s ARG 50 N -3.57 3.03 0.30 3.99 3.52 0.97 -1.28 118.95 125.90 1i9a s ARG 50 Ca 0.31 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.77 1i9a s ARG 50 Cb -0.01 -2.42 -0.10 0.00 -1.56 0.00 0.00 34.95 30.86 1i9a s ARG 50 CO 0.16 0.01 1.24 1.03 -0.81 0.00 0.00 175.30 176.93 1i9a s ARG 51 N 0.75 4.45 0.84 5.12 0.52 -0.15 -3.63 118.95 126.86 1i9a s ARG 51 Ca -0.09 2.06 -0.13 0.00 -0.52 0.00 0.00 55.73 57.05 1i9a s ARG 51 Cb -0.16 -3.13 0.06 0.00 0.52 0.00 0.00 34.95 32.25 1i9a s ARG 51 CO -0.00 -0.06 0.91 0.00 0.02 0.00 0.00 175.30 176.16 1i9a n ALA 52 N 1.16 -0.94 0.27 2.13 0.00 -0.05 -0.51 120.51 122.57 1i9a n ALA 52 Ca 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.17 1i9a n ALA 52 Cb 0.43 -2.08 0.76 0.00 0.00 0.00 0.00 19.45 18.56 1i9a n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i9a h LEU 53 N -1.10 0.00 -0.04 0.00 3.38 -1.91 -2.49 115.31 113.16 1i9a h LEU 53 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1i9a h LEU 53 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1i9a h LEU 53 CO 0.42 0.10 -0.30 -1.54 0.09 0.00 0.00 178.44 177.21 1i9a n SER 54 N -3.66 0.36 -4.65 -0.43 3.41 -1.26 -4.67 113.62 102.72 1i9a n SER 54 Ca -0.02 -0.06 -0.37 0.00 -0.26 0.00 0.00 58.87 58.16 1i9a n SER 54 Cb 0.21 -0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1i9a n SER 54 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i9a n LYS 55 N -1.43 0.92 -0.03 4.33 4.76 -1.13 -4.90 118.16 120.69 1i9a n LYS 55 Ca 0.07 0.36 -0.17 0.00 -2.87 0.00 0.00 58.31 55.70 1i9a n LYS 55 Cb 0.33 -2.27 -0.08 0.00 -1.84 0.00 0.00 35.03 31.18 1i9a n LYS 55 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1i9a h LYS 56 N 0.43 0.65 -5.91 1.97 3.64 -1.92 -3.39 116.57 112.05 1i9a h LYS 56 Ca -0.49 -0.53 -0.67 0.00 -1.27 0.00 0.00 60.65 57.69 1i9a h LYS 56 Cb 1.36 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.17 1i9a h LYS 56 CO 0.51 1.15 -0.58 0.00 -2.27 0.00 0.00 179.45 178.26 1i9a s ALA 57 N -3.73 3.48 -1.34 5.00 0.00 -1.26 -4.67 121.76 119.24 1i9a s ALA 57 Ca -0.12 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 1i9a s ALA 57 Cb 0.07 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.61 1i9a s ALA 57 CO 0.86 0.62 0.33 0.91 0.00 0.00 0.00 175.76 178.48 1i9a n TRP 58 N 1.90 -1.27 -2.13 0.00 8.01 -1.26 -4.88 117.44 117.81 1i9a n TRP 58 Ca -0.18 0.31 -0.38 0.00 -1.31 0.00 0.00 57.50 55.95 1i9a n TRP 58 Cb 0.54 -2.68 0.00 0.00 -2.01 0.00 0.00 31.31 27.16 1i9a n TRP 58 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1i9a s PRO 59 N -7.35 3.66 -1.09 -0.99 0.02 -1.26 -3.02 135.00 124.98 1i9a s PRO 59 Ca 0.24 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1i9a s PRO 59 Cb -0.14 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.95 1i9a s PRO 59 CO 0.96 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 177.36 1i9a n GLY 60 N 0.55 1.01 3.86 0.52 0.00 0.34 -4.90 105.19 106.57 1i9a n GLY 60 Ca 0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1i9a n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i9a s VAL 61 N -1.95 5.03 0.06 1.61 1.01 -1.17 -4.77 120.40 120.23 1i9a s VAL 61 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 1i9a s VAL 61 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1i9a s VAL 61 CO 0.00 0.24 0.67 0.26 0.00 0.00 0.00 175.10 176.27 1i9a s TRP 62 N -1.45 3.77 0.38 5.22 0.52 -1.26 -0.98 118.94 125.14 1i9a s TRP 62 Ca 0.35 1.37 -0.12 0.00 0.02 0.00 0.00 56.10 57.72 1i9a s TRP 62 Cb -0.14 -2.66 0.05 0.00 -1.15 0.00 0.00 33.47 29.56 1i9a s TRP 62 CO 0.19 0.42 0.72 -2.37 0.02 0.00 0.00 176.95 175.92 1i9a n THR 63 N 2.30 0.00 -0.80 2.01 5.66 -0.41 -0.90 114.28 122.13 1i9a n THR 63 Ca -0.06 -1.17 -0.30 0.00 -3.05 0.00 0.00 64.05 59.47 1i9a n THR 63 Cb 0.50 1.01 0.18 0.00 -1.55 0.00 0.00 70.33 70.47 1i9a n THR 63 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1i9a s ASN 64 N -3.08 2.62 0.00 1.09 4.22 -1.26 -2.30 114.94 116.23 1i9a s ASN 64 Ca 0.19 1.84 0.00 0.00 -2.14 0.00 0.00 52.86 52.74 1i9a s ASN 64 Cb -0.04 -2.42 0.00 0.00 1.28 0.00 0.00 41.25 40.07 1i9a s ASN 64 CO 0.14 -3.23 0.35 -1.20 -2.04 0.00 0.00 177.10 171.12 1i9a n SER 65 N -4.30 0.00 -3.96 3.54 7.64 -1.13 -4.39 113.62 111.03 1i9a n SER 65 Ca 0.08 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 1i9a n SER 65 Cb 0.53 -0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.55 1i9a n SER 65 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i9a s VAL 66 N -1.38 0.25 0.04 0.44 1.01 -1.02 -4.58 120.40 115.16 1i9a s VAL 66 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1i9a s VAL 66 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1i9a s VAL 66 CO 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 175.10 175.05 1i9a n GLY 68 N 0.81 1.77 2.99 0.00 0.00 -0.95 -4.98 105.19 104.83 1i9a n GLY 68 Ca -0.19 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1i9a n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i9a s HIS 69 N -1.91 1.72 0.38 1.61 3.76 -1.26 -1.46 115.29 118.14 1i9a s HIS 69 Ca 0.00 -0.83 -0.25 0.00 -0.15 0.00 0.00 55.06 53.83 1i9a s HIS 69 Cb 0.00 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.29 1i9a s HIS 69 CO 0.00 -0.49 1.12 -2.14 -0.85 0.00 0.00 174.74 172.39 1i9a s PRO 70 N 1.29 4.16 0.53 8.40 0.02 -1.26 -5.00 135.00 143.14 1i9a s PRO 70 Ca -0.02 1.74 0.05 0.00 0.02 0.00 0.00 61.00 62.79 1i9a s PRO 70 Cb -0.14 -2.70 0.05 0.00 0.02 0.00 0.00 34.50 31.73 1i9a s PRO 70 CO -0.05 -0.20 0.74 -0.65 -0.33 0.00 0.00 177.00 176.51 1i9a s GLN 71 N -2.25 2.49 0.15 5.54 -1.52 -1.26 -4.47 119.66 118.34 1i9a s GLN 71 Ca 0.56 -1.13 -0.31 0.00 -1.95 0.00 0.00 55.36 52.53 1i9a s GLN 71 Cb -0.28 -2.59 -0.11 0.00 -0.22 0.00 0.00 33.01 29.81 1i9a s GLN 71 CO 0.36 -0.68 1.74 -0.51 -0.25 0.00 0.00 175.29 175.94 1i9a s LEU 72 N -4.65 4.38 -0.00 2.90 1.43 -1.26 -1.47 118.68 120.00 1i9a s LEU 72 Ca 0.58 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 1i9a s LEU 72 Cb -0.09 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1i9a s LEU 72 CO 0.37 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.61 1i9a n GLY 73 N 4.07 0.47 3.41 -3.19 0.00 -1.26 -5.03 105.19 103.67 1i9a n GLY 73 Ca 0.16 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1i9a n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9a s GLU 74 N -0.43 3.11 0.56 1.61 2.12 -0.55 -5.11 118.70 120.02 1i9a s GLU 74 Ca 0.00 -0.68 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 1i9a s GLU 74 Cb 0.00 -2.56 -0.06 0.00 0.26 0.00 0.00 34.13 31.77 1i9a s GLU 74 CO 0.00 0.35 1.01 -1.54 -0.54 0.00 0.00 175.26 174.54 1i9a s SER 75 N -0.01 6.30 0.23 -1.70 1.04 -1.26 -4.60 113.70 113.70 1i9a s SER 75 Ca -0.03 1.62 -0.06 0.00 0.48 0.00 0.00 55.95 57.95 1i9a s SER 75 Cb -0.14 -2.51 0.34 0.00 0.10 0.00 0.00 66.02 63.81 1i9a s SER 75 CO 0.04 -0.81 1.81 0.78 0.98 0.00 0.00 173.24 176.04 1i9a h ASN 76 N 0.56 0.63 0.15 7.02 2.35 -1.99 -1.78 115.58 122.52 1i9a h ASN 76 Ca -0.46 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 1i9a h ASN 76 Cb 1.20 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1i9a h ASN 76 CO 0.60 0.38 -0.25 1.05 -1.65 0.00 0.00 177.43 177.56 1i9a h GLU 77 N 0.76 0.18 0.00 0.81 9.09 -1.94 -1.38 114.58 122.10 1i9a h GLU 77 Ca 0.36 -0.06 -0.16 0.00 0.05 0.00 0.00 59.36 59.56 1i9a h GLU 77 Cb 0.30 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.36 1i9a h GLU 77 CO -0.23 0.42 -0.77 -0.44 0.05 0.00 0.00 179.01 178.05 1i9a h ASP 78 N 0.16 0.00 -0.10 3.06 3.32 -1.81 -2.45 116.42 118.60 1i9a h ASP 78 Ca 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1i9a h ASP 78 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1i9a h ASP 78 CO 0.04 0.77 -0.00 0.00 -1.72 0.00 0.00 179.24 178.32 1i9a h ALA 79 N 1.23 0.13 -0.44 3.45 0.00 -0.83 -0.24 119.26 122.57 1i9a h ALA 79 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1i9a h ALA 79 Cb 1.45 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1i9a h ALA 79 CO 0.10 -0.18 0.08 0.28 0.00 0.00 0.00 179.25 179.53 1i9a h VAL 80 N -0.11 0.76 -0.88 0.00 2.07 -1.25 -1.48 116.25 115.35 1i9a h VAL 80 Ca 0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1i9a h VAL 80 Cb 0.37 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1i9a h VAL 80 CO 0.01 0.04 0.52 0.40 0.02 0.00 0.00 177.57 178.56 1i9a h ILE 81 N 0.21 1.25 -0.41 4.57 2.04 -1.25 -2.39 117.51 121.53 1i9a h ILE 81 Ca 0.22 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1i9a h ILE 81 Cb 0.27 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1i9a h ILE 81 CO -0.29 0.26 0.13 -0.09 0.00 0.00 0.00 178.15 178.16 1i9a h ARG 82 N 1.21 0.63 0.00 2.37 2.43 -0.22 -2.91 114.38 117.90 1i9a h ARG 82 Ca 0.31 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1i9a h ARG 82 Cb -0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1i9a h ARG 82 CO -0.06 0.62 -0.31 0.00 -1.51 0.00 0.00 179.97 178.72 1i9a h ARG 83 N 0.52 0.00 0.00 0.20 2.47 -1.15 -1.23 114.38 115.18 1i9a h ARG 83 Ca 0.13 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.70 1i9a h ARG 83 Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1i9a h ARG 83 CO -0.00 0.31 -0.70 0.00 0.56 0.00 0.00 179.97 180.13 1i9a h ARG 85 N 0.00 0.41 0.09 0.00 3.08 -1.33 0.18 114.38 116.81 1i9a h ARG 85 Ca -0.01 -0.65 -0.00 0.00 0.07 0.00 0.00 59.98 59.39 1i9a h ARG 85 Cb 1.29 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1i9a h ARG 85 CO 0.09 1.30 -0.04 -0.92 -1.07 0.00 0.00 179.97 179.32 1i9a h TYR 86 N 0.14 -0.11 0.08 3.04 3.20 -1.12 -0.49 116.97 121.71 1i9a h TYR 86 Ca -0.17 -0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.43 1i9a h TYR 86 Cb 1.99 0.04 0.01 0.00 1.54 0.00 0.00 36.73 40.30 1i9a h TYR 86 CO 0.09 0.42 -1.13 0.93 -1.64 0.00 0.00 178.16 176.83 1i9a h GLU 87 N -0.86 0.40 0.00 1.82 5.08 -0.85 -3.39 114.58 116.77 1i9a h GLU 87 Ca -0.01 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1i9a h GLU 87 Cb 0.58 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1i9a h GLU 87 CO 0.02 1.21 -0.56 1.28 -1.00 0.00 0.00 179.01 179.95 1i9a n LEU 88 N -3.67 0.15 -2.33 1.33 4.77 -0.89 -1.54 117.00 114.82 1i9a n LEU 88 Ca -0.09 -0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.36 1i9a n LEU 88 Cb 0.94 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.03 1i9a n LEU 88 CO 0.54 0.04 -0.24 0.61 -1.33 0.00 0.00 177.39 177.00 1i9a n GLY 89 N 1.49 -0.46 3.52 -0.72 0.00 0.50 0.88 105.19 110.40 1i9a n GLY 89 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1i9a n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i9a s VAL 90 N -3.01 3.01 0.02 1.61 0.11 -0.41 -4.12 120.40 117.61 1i9a s VAL 90 Ca 0.02 -1.47 -0.06 0.00 -2.93 0.00 0.00 61.98 57.54 1i9a s VAL 90 Cb -0.01 -2.40 -0.05 0.00 -1.53 0.00 0.00 36.38 32.39 1i9a s VAL 90 CO 0.02 0.07 0.26 -1.61 -3.33 0.00 0.00 175.10 170.51 1i9a s GLU 91 N -2.25 3.56 0.26 1.54 0.41 -1.26 -3.68 118.70 117.27 1i9a s GLU 91 Ca 0.20 -0.13 0.02 0.00 -0.41 0.00 0.00 54.97 54.65 1i9a s GLU 91 Cb -0.10 -3.07 -0.05 0.00 -1.78 0.00 0.00 34.13 29.13 1i9a s GLU 91 CO 0.12 0.64 0.07 0.96 -0.49 0.00 0.00 175.26 176.56 1i9a s ILE 92 N -1.33 0.72 0.62 -1.63 -4.36 -1.26 -0.23 121.20 113.74 1i9a s ILE 92 Ca 0.29 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 1i9a s ILE 92 Cb -0.13 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 41.01 1i9a s ILE 92 CO 0.17 -0.07 0.95 0.42 0.24 0.00 0.00 174.94 176.65 1i9a s THR 93 N -3.64 3.44 -0.24 8.37 -4.23 -0.31 -4.85 115.64 114.18 1i9a s THR 93 Ca 0.35 0.05 -0.39 0.00 -1.18 0.00 0.00 61.69 60.53 1i9a s THR 93 Cb 0.08 -3.40 -0.15 0.00 1.34 0.00 0.00 72.50 70.37 1i9a s THR 93 CO 0.13 -0.43 1.80 -2.65 -0.54 0.00 0.00 174.62 172.93 1i9a n PRO 94 N -2.70 1.40 -1.70 3.99 -0.02 -1.26 -4.55 135.00 130.16 1i9a n PRO 94 Ca 0.05 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.61 1i9a n PRO 94 Cb 0.58 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1i9a n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1i9a n PRO 95 N 5.83 2.38 -5.19 0.52 -0.02 -1.26 -4.88 135.00 132.38 1i9a n PRO 95 Ca 0.26 0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 62.29 1i9a n PRO 95 Cb 0.17 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 30.89 1i9a n PRO 95 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1i9a s GLU 96 N 0.09 2.24 0.46 -0.52 -1.05 -0.57 -4.93 118.70 114.42 1i9a s GLU 96 Ca 0.70 -0.85 -0.21 0.00 -0.15 0.00 0.00 54.97 54.46 1i9a s GLU 96 Cb -0.59 -1.99 -0.12 0.00 -0.44 0.00 0.00 34.13 31.00 1i9a s GLU 96 CO 0.44 0.42 0.50 0.45 0.95 0.00 0.00 175.26 178.01 1i9a n SER 97 N 2.80 -1.10 0.00 0.83 2.88 -1.26 -2.00 113.62 115.77 1i9a n SER 97 Ca -0.17 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1i9a n SER 97 Cb 0.52 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1i9a n SER 97 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1i9a n ILE 98 N -1.12 0.00 -3.35 2.46 2.08 -0.49 -4.76 119.36 114.18 1i9a n ILE 98 Ca 0.11 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.27 1i9a n ILE 98 Cb 0.42 -0.16 -0.07 0.00 -0.75 0.00 0.00 39.64 39.08 1i9a n ILE 98 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1i9a s TYR 99 N -1.28 -0.45 0.20 1.39 6.14 -0.96 -4.28 117.35 118.11 1i9a s TYR 99 Ca 0.00 -0.65 0.02 0.00 0.64 0.00 0.00 57.07 57.08 1i9a s TYR 99 Cb 0.00 -0.34 0.13 0.00 0.42 0.00 0.00 41.96 42.17 1i9a s TYR 99 CO 0.00 -0.98 1.48 -1.35 0.64 0.00 0.00 175.55 175.33 1i9a h PRO 100 N 7.17 0.29 -0.91 4.97 0.11 -1.92 0.95 132.00 142.67 1i9a h PRO 100 Ca 0.03 -0.23 -0.50 0.00 0.11 0.00 0.00 66.00 65.41 1i9a h PRO 100 Cb 1.07 0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 1i9a h PRO 100 CO 0.20 0.88 0.57 -0.40 -0.21 0.00 0.00 178.00 179.04 1i9a n ASP 101 N -3.82 4.17 -4.67 -2.05 5.75 -1.26 -4.36 116.55 110.31 1i9a n ASP 101 Ca -0.03 -3.66 -0.43 0.00 -0.01 0.00 0.00 54.79 50.66 1i9a n ASP 101 Cb 0.69 -0.83 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1i9a n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1i9a s PHE 102 N -3.38 3.22 0.08 2.11 5.36 -1.25 -4.96 117.98 119.17 1i9a s PHE 102 Ca 0.56 1.32 0.07 0.00 -0.96 0.00 0.00 56.93 57.92 1i9a s PHE 102 Cb 0.47 -3.35 -0.03 0.00 -0.34 0.00 0.00 43.02 39.77 1i9a s PHE 102 CO 0.08 -0.94 -0.19 1.03 -1.46 0.00 0.00 175.22 173.74 1i9a s ARG 103 N 2.69 1.06 -0.03 10.12 0.52 -1.26 0.14 118.95 132.19 1i9a s ARG 103 Ca 0.51 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.37 1i9a s ARG 103 Cb -0.20 -1.22 0.11 0.00 0.52 0.00 0.00 34.95 34.15 1i9a s ARG 103 CO 0.16 0.29 0.91 1.52 0.02 0.00 0.00 175.30 178.19 1i9a s TYR 104 N -1.14 -0.35 -0.07 -0.53 -0.85 -0.59 -4.92 117.35 108.91 1i9a s TYR 104 Ca 0.04 0.27 -0.03 0.00 -0.52 0.00 0.00 57.07 56.83 1i9a s TYR 104 Cb -0.10 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.81 1i9a s TYR 104 CO 0.03 -0.51 0.14 0.50 -1.52 0.00 0.00 175.55 174.19 1i9a s ARG 105 N -2.85 0.04 0.14 -3.49 3.52 -1.26 -1.43 118.95 113.62 1i9a s ARG 105 Ca 0.04 0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 56.07 1i9a s ARG 105 Cb -0.01 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.09 1i9a s ARG 105 CO -0.07 -0.26 0.15 0.00 -0.81 0.00 0.00 175.30 174.30 1i9a s ALA 106 N 1.88 0.53 -0.19 6.12 0.00 -0.68 -4.98 121.76 124.44 1i9a s ALA 106 Ca -0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1i9a s ALA 106 Cb -0.12 0.87 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1i9a s ALA 106 CO -0.05 -0.55 -0.04 0.99 0.00 0.00 0.00 175.76 176.11 1i9a s THR 107 N -4.02 1.11 1.23 0.00 2.01 -1.26 -1.49 115.64 113.23 1i9a s THR 107 Ca 0.21 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1i9a s THR 107 Cb 0.06 -1.37 0.30 0.00 0.01 0.00 0.00 72.50 71.49 1i9a s THR 107 CO 0.01 0.01 1.05 1.51 -0.69 0.00 0.00 174.62 176.51 1i9a s ASP 108 N 1.61 0.59 0.64 3.53 3.84 0.54 -4.85 116.67 122.56 1i9a s ASP 108 Ca -0.01 0.83 0.30 0.00 -0.00 0.00 0.00 52.55 53.67 1i9a s ASP 108 Cb -0.17 -1.21 1.62 0.00 -1.38 0.00 0.00 42.92 41.78 1i9a s ASP 108 CO -0.07 -4.35 1.95 -0.65 -0.00 0.00 0.00 175.17 172.05 1i9a h PRO 109 N -2.73 0.00 -0.16 2.11 0.11 -1.99 -2.34 132.00 127.01 1i9a h PRO 109 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1i9a h PRO 109 Cb 1.32 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1i9a h PRO 109 CO 0.37 0.00 -0.17 -1.13 -0.21 0.00 0.00 178.00 176.86 1i9a n SER 110 N -3.24 2.45 0.00 -2.05 3.41 -1.26 -4.96 113.62 107.97 1i9a n SER 110 Ca 0.01 -3.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1i9a n SER 110 Cb 0.44 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1i9a n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9a n GLY 111 N -1.10 0.97 3.77 5.00 0.00 -0.88 -5.04 105.19 107.92 1i9a n GLY 111 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1i9a n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i9a s ILE 112 N -3.40 2.81 0.05 -0.61 -1.09 -1.26 -4.09 121.20 113.61 1i9a s ILE 112 Ca 0.00 0.75 0.09 0.00 -2.23 0.00 0.00 60.65 59.26 1i9a s ILE 112 Cb 0.00 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1i9a s ILE 112 CO 0.00 0.13 -0.24 -0.69 -1.23 0.00 0.00 174.94 172.90 1i9a s VAL 113 N -1.25 2.30 -0.07 2.92 1.01 0.46 -0.34 120.40 125.42 1i9a s VAL 113 Ca 0.54 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1i9a s VAL 113 Cb -0.37 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1i9a s VAL 113 CO 0.47 0.35 -0.23 -1.61 0.00 0.00 0.00 175.10 174.09 1i9a s GLU 114 N -1.32 2.61 -0.29 2.72 0.41 -0.56 -4.37 118.70 117.91 1i9a s GLU 114 Ca 0.12 -0.83 -0.04 0.00 -0.41 0.00 0.00 54.97 53.82 1i9a s GLU 114 Cb -0.10 -2.10 0.10 0.00 -1.78 0.00 0.00 34.13 30.25 1i9a s GLU 114 CO 0.03 0.26 0.12 1.21 -0.49 0.00 0.00 175.26 176.39 1i9a s ASN 115 N 0.13 3.57 0.15 -0.19 3.04 -1.26 -1.69 114.94 118.69 1i9a s ASN 115 Ca -0.11 -1.31 -0.03 0.00 0.04 0.00 0.00 52.86 51.45 1i9a s ASN 115 Cb -0.15 -0.41 -0.03 0.00 -1.54 0.00 0.00 41.25 39.11 1i9a s ASN 115 CO 0.06 -0.43 0.12 -1.61 -3.04 0.00 0.00 177.10 172.20 1i9a s GLU 116 N 2.04 1.03 -0.39 0.43 2.02 -0.52 -1.33 118.70 121.98 1i9a s GLU 116 Ca 0.09 -1.40 -0.08 0.00 0.02 0.00 0.00 54.97 53.60 1i9a s GLU 116 Cb -0.16 0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.42 1i9a s GLU 116 CO -0.35 -0.32 0.21 0.08 0.02 0.00 0.00 175.26 174.90 1i9a s VAL 117 N -4.04 4.04 -0.67 2.63 1.01 -0.65 -1.53 120.40 121.19 1i9a s VAL 117 Ca 0.24 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1i9a s VAL 117 Cb 0.06 -3.44 0.17 0.00 0.00 0.00 0.00 36.38 33.17 1i9a s VAL 117 CO 0.03 -0.42 0.48 0.00 0.00 0.00 0.00 175.10 175.18 1i9a s PRO 119 N -0.60 4.17 -0.11 0.00 0.02 -1.23 -4.09 135.00 133.15 1i9a s PRO 119 Ca 0.20 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 63.60 1i9a s PRO 119 Cb -0.17 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 1i9a s PRO 119 CO -0.06 -0.71 0.26 0.08 -0.33 0.00 0.00 177.00 176.23 1i9a s VAL 120 N 1.56 5.31 0.25 3.83 1.01 0.33 -2.69 120.40 129.99 1i9a s VAL 120 Ca 0.74 0.48 0.08 0.00 0.00 0.00 0.00 61.98 63.28 1i9a s VAL 120 Cb -0.46 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1i9a s VAL 120 CO 0.32 0.51 -0.11 -0.36 0.00 0.00 0.00 175.10 175.46 1i9a s PHE 121 N -0.35 1.87 0.04 5.22 0.40 0.12 -1.40 117.98 123.87 1i9a s PHE 121 Ca 0.17 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1i9a s PHE 121 Cb -0.13 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1i9a s PHE 121 CO 0.06 0.35 -0.09 0.00 0.70 0.00 0.00 175.22 176.24 1i9a s ALA 122 N -2.96 0.68 0.36 5.36 0.00 -0.85 -0.97 121.76 123.38 1i9a s ALA 122 Ca 0.26 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1i9a s ALA 122 Cb 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1i9a s ALA 122 CO 0.10 0.05 0.60 0.00 0.00 0.00 0.00 175.76 176.51 1i9a s ALA 123 N -1.08 0.20 0.04 0.00 0.00 -0.61 -1.51 121.76 118.79 1i9a s ALA 123 Ca -0.06 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 50.76 1i9a s ALA 123 Cb -0.08 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 1i9a s ALA 123 CO 0.01 -0.87 -0.25 0.50 0.00 0.00 0.00 175.76 175.15 1i9a s ARG 124 N -2.76 1.86 -0.07 0.00 6.06 -1.26 -2.06 118.95 120.72 1i9a s ARG 124 Ca 0.25 -1.08 -0.26 0.00 -2.50 0.00 0.00 55.73 52.13 1i9a s ARG 124 Cb -0.02 -2.01 -0.03 0.00 0.06 0.00 0.00 34.95 32.95 1i9a s ARG 124 CO 0.17 0.52 0.84 0.99 -2.50 0.00 0.00 175.30 175.32 1i9a s THR 125 N -0.80 4.93 -0.82 4.11 2.01 -0.23 -1.17 115.64 123.67 1i9a s THR 125 Ca 0.12 1.73 0.10 0.00 0.31 0.00 0.00 61.69 63.94 1i9a s THR 125 Cb -0.10 -4.17 0.27 0.00 0.01 0.00 0.00 72.50 68.51 1i9a s THR 125 CO 0.02 0.15 1.23 0.35 -0.69 0.00 0.00 174.62 175.68 1i9a n THR 126 N 4.09 1.00 -3.68 -0.82 -2.24 0.69 -4.12 114.28 109.19 1i9a n THR 126 Ca 0.03 -1.00 -0.10 0.00 -2.27 0.00 0.00 64.05 60.71 1i9a n THR 126 Cb 0.50 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1i9a n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i9a s SER 127 N -1.00 -0.35 0.60 3.42 1.04 -1.25 -4.88 113.70 111.28 1i9a s SER 127 Ca 0.21 -0.38 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 1i9a s SER 127 Cb 0.11 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1i9a s SER 127 CO 0.14 -1.11 1.13 0.00 0.98 0.00 0.00 173.24 174.38 1i9a s ALA 128 N -3.85 2.57 0.36 5.32 0.00 -1.26 -4.60 121.76 120.30 1i9a s ALA 128 Ca 0.07 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 1i9a s ALA 128 Cb -0.02 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1i9a s ALA 128 CO -0.03 -1.04 1.07 -0.51 0.00 0.00 0.00 175.76 175.25 1i9a s LEU 129 N -4.32 4.27 -0.46 0.00 1.43 -1.26 -4.55 118.68 113.79 1i9a s LEU 129 Ca 0.70 2.13 0.09 0.00 -1.03 0.00 0.00 54.13 56.02 1i9a s LEU 129 Cb -0.23 -4.00 0.30 0.00 0.03 0.00 0.00 46.19 42.30 1i9a s LEU 129 CO 0.34 -0.39 0.72 0.00 0.23 0.00 0.00 176.35 177.24 1i9a n GLN 130 N 0.34 1.60 -1.46 1.70 6.02 0.26 -5.00 117.38 120.82 1i9a n GLN 130 Ca 0.03 -3.84 -0.54 0.00 -0.01 0.00 0.00 57.00 52.65 1i9a n GLN 130 Cb 0.48 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1i9a n GLN 130 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1i9a n ILE 131 N 0.59 0.93 -3.44 5.09 2.08 -1.19 -3.72 119.36 119.69 1i9a n ILE 131 Ca 0.26 -0.23 -0.43 0.00 0.56 0.00 0.00 62.75 62.90 1i9a n ILE 131 Cb 0.53 -0.06 -0.09 0.00 -0.75 0.00 0.00 39.64 39.27 1i9a n ILE 131 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i9a s ASN 132 N -0.43 6.07 0.59 4.38 2.47 -0.59 -4.97 114.94 122.46 1i9a s ASN 132 Ca 0.78 -1.17 0.29 0.00 0.42 0.00 0.00 52.86 53.18 1i9a s ASN 132 Cb -1.09 -2.15 1.49 0.00 -1.45 0.00 0.00 41.25 38.04 1i9a s ASN 132 CO 0.56 -0.55 1.91 0.44 -3.72 0.00 0.00 177.10 175.74 1i9a h ASP 133 N 8.66 0.00 1.43 -4.21 3.32 -1.88 -1.00 116.42 122.74 1i9a h ASP 133 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1i9a h ASP 133 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1i9a h ASP 133 CO 0.80 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.76 1i9a h ASP 134 N 0.00 0.00 0.00 6.45 3.32 -1.96 -3.35 116.42 120.88 1i9a h ASP 134 Ca 0.21 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 1i9a h ASP 134 Cb 1.14 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 1i9a h ASP 134 CO -0.00 0.00 -1.76 -0.62 -1.72 0.00 0.00 179.24 175.14 1i9a n GLU 135 N -2.84 0.33 -4.64 3.56 -0.58 -0.48 -4.75 120.64 111.24 1i9a n GLU 135 Ca 0.03 0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.55 1i9a n GLU 135 Cb 0.40 -1.25 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1i9a n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1i9a s VAL 136 N -2.26 0.79 0.95 2.62 1.01 -0.59 -0.87 120.40 122.05 1i9a s VAL 136 Ca -0.18 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.69 1i9a s VAL 136 Cb 0.05 -2.20 0.12 0.00 0.00 0.00 0.00 36.38 34.35 1i9a s VAL 136 CO 0.30 0.00 0.87 -0.67 0.00 0.00 0.00 175.10 175.60 1i9a n ASP 138 N -1.35 -0.66 -3.56 3.32 -0.08 -1.24 -4.16 116.55 108.82 1i9a n ASP 138 Ca -0.13 0.34 -0.13 0.00 -1.51 0.00 0.00 54.79 53.36 1i9a n ASP 138 Cb 0.66 -1.36 -0.05 0.00 2.34 0.00 0.00 41.12 42.71 1i9a n ASP 138 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1i9a s TYR 139 N -2.53 -0.41 -0.02 -0.67 -0.85 -1.26 -0.02 117.35 111.58 1i9a s TYR 139 Ca 0.63 0.38 0.01 0.00 -0.52 0.00 0.00 57.07 57.57 1i9a s TYR 139 Cb -0.22 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.49 1i9a s TYR 139 CO 0.62 -0.68 -0.01 -0.65 -1.52 0.00 0.00 175.55 173.31 1i9a s GLN 140 N -2.79 0.28 -0.34 -3.49 -1.52 0.83 -4.99 119.66 107.64 1i9a s GLN 140 Ca -0.03 0.01 -0.15 0.00 -1.95 0.00 0.00 55.36 53.23 1i9a s GLN 140 Cb -0.00 -0.39 -0.01 0.00 -0.22 0.00 0.00 33.01 32.38 1i9a s GLN 140 CO -0.04 -0.06 0.36 -1.58 -0.25 0.00 0.00 175.29 173.71 1i9a s TRP 141 N 0.62 3.21 0.27 0.91 0.52 -1.26 -0.56 118.94 122.65 1i9a s TRP 141 Ca -0.06 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1i9a s TRP 141 Cb -0.09 -2.66 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 1i9a s TRP 141 CO -0.01 -0.44 0.28 0.00 0.02 0.00 0.00 176.95 176.80 1i9a s ASP 143 N -2.82 7.05 0.34 0.00 1.01 -1.26 0.22 116.67 121.22 1i9a s ASP 143 Ca 0.29 1.28 0.10 0.00 0.71 0.00 0.00 52.55 54.93 1i9a s ASP 143 Cb 0.01 -2.46 0.88 0.00 1.01 0.00 0.00 42.92 42.35 1i9a s ASP 143 CO 0.21 -0.26 1.77 0.25 0.21 0.00 0.00 175.17 177.35 1i9a h LEU 144 N 7.38 0.66 -0.69 1.23 5.85 -1.93 -0.23 115.31 127.58 1i9a h LEU 144 Ca -0.36 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.58 1i9a h LEU 144 Cb 1.18 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1i9a h LEU 144 CO 0.79 0.19 0.24 0.00 -0.34 0.00 0.00 178.44 179.32 1i9a h ALA 145 N 1.66 0.92 0.12 1.25 0.00 -2.00 -0.66 119.26 120.55 1i9a h ALA 145 Ca 0.59 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.60 1i9a h ALA 145 Cb 1.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i9a h ALA 145 CO -0.37 -0.23 -0.06 -0.44 0.00 0.00 0.00 179.25 178.16 1i9a h ASP 146 N 0.39 -0.14 -0.72 0.00 3.32 -1.45 -2.42 116.42 115.41 1i9a h ASP 146 Ca 0.37 -0.28 0.15 0.00 0.02 0.00 0.00 57.03 57.29 1i9a h ASP 146 Cb 0.54 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 1i9a h ASP 146 CO -0.39 0.22 0.19 0.58 -1.72 0.00 0.00 179.24 178.13 1i9a h VAL 147 N -0.52 0.56 0.00 -1.35 2.07 -1.07 0.54 116.25 116.47 1i9a h VAL 147 Ca -0.02 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1i9a h VAL 147 Cb 0.41 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1i9a h VAL 147 CO 0.03 0.05 -0.25 -0.07 0.02 0.00 0.00 177.57 177.35 1i9a h LEU 148 N 0.30 0.00 -0.23 2.57 3.38 -1.10 -0.76 115.31 119.47 1i9a h LEU 148 Ca 0.40 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.20 1i9a h LEU 148 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1i9a h LEU 148 CO -0.48 0.25 -0.53 0.45 0.09 0.00 0.00 178.44 178.22 1i9a h HIS 149 N 0.00 0.98 -0.43 1.13 3.86 0.44 -2.05 115.15 119.07 1i9a h HIS 149 Ca -0.00 -0.37 -0.05 0.00 -1.16 0.00 0.00 60.37 58.79 1i9a h HIS 149 Cb 0.51 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1i9a h HIS 149 CO 0.00 1.18 0.07 0.78 0.86 0.00 0.00 177.93 180.81 1i9a h GLY 150 N 0.50 0.77 1.74 2.45 0.00 -0.18 -2.07 103.07 106.28 1i9a h GLY 150 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1i9a h GLY 150 CO 0.12 0.48 -0.02 -2.22 0.00 0.00 0.00 176.54 174.89 1i9a h ILE 151 N 0.57 1.15 0.00 2.60 2.04 -1.14 0.21 117.51 122.95 1i9a h ILE 151 Ca 0.13 -0.62 -0.19 0.00 1.00 0.00 0.00 64.86 65.18 1i9a h ILE 151 Cb 0.38 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1i9a h ILE 151 CO 0.01 0.20 -0.92 0.44 0.00 0.00 0.00 178.15 177.88 1i9a h ASP 152 N 0.32 0.02 0.00 1.72 3.32 -1.16 -3.24 116.42 117.40 1i9a h ASP 152 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1i9a h ASP 152 Cb 0.26 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1i9a h ASP 152 CO 0.01 0.93 -0.35 0.00 -1.72 0.00 0.00 179.24 178.11 1i9a h ALA 153 N 1.07 0.01 -2.73 3.45 0.00 -1.03 -3.44 119.26 116.60 1i9a h ALA 153 Ca -0.01 -0.36 -0.61 0.00 0.00 0.00 0.00 54.91 53.93 1i9a h ALA 153 Cb 1.63 0.32 -0.42 0.00 0.00 0.00 0.00 17.79 19.33 1i9a h ALA 153 CO 0.12 0.32 -0.63 0.25 0.00 0.00 0.00 179.25 179.32 1i9a n THR 154 N -4.67 1.56 -0.22 0.00 -2.24 0.71 -4.95 114.28 104.49 1i9a n THR 154 Ca -0.06 -4.84 -0.02 0.00 -2.27 0.00 0.00 64.05 56.86 1i9a n THR 154 Cb 0.20 -2.11 0.08 0.00 -2.10 0.00 0.00 70.33 66.40 1i9a n THR 154 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1i9a h PRO 155 N 5.00 0.64 0.00 -0.78 0.11 -1.69 -2.00 132.00 133.27 1i9a h PRO 155 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1i9a h PRO 155 Cb 0.74 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1i9a h PRO 155 CO 0.72 0.42 0.14 -2.67 -0.21 0.00 0.00 178.00 176.40 1i9a n TRP 156 N -4.80 0.48 1.62 0.65 4.27 -1.26 -0.79 117.44 117.61 1i9a n TRP 156 Ca 0.07 0.25 0.15 0.00 -3.89 0.00 0.00 57.50 54.08 1i9a n TRP 156 Cb 0.16 -0.80 0.74 0.00 -1.36 0.00 0.00 31.31 30.04 1i9a n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1i9a n ALA 157 N -1.62 2.67 -2.32 -1.67 0.00 -0.75 -4.87 120.51 111.94 1i9a n ALA 157 Ca -0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 1i9a n ALA 157 Cb 0.16 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 1i9a n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1i9a s PHE 158 N -2.27 1.55 0.53 0.00 0.40 0.03 -4.39 117.98 113.83 1i9a s PHE 158 Ca 0.36 -1.19 -0.22 0.00 -0.60 0.00 0.00 56.93 55.28 1i9a s PHE 158 Cb 0.21 -0.91 -0.06 0.00 0.51 0.00 0.00 43.02 42.78 1i9a s PHE 158 CO 0.42 -0.34 1.36 -1.13 0.70 0.00 0.00 175.22 176.23 1i9a n SER 159 N -0.50 2.72 -0.23 1.36 3.41 -0.08 -4.89 113.62 115.41 1i9a n SER 159 Ca 0.00 1.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.66 1i9a n SER 159 Cb 0.66 -1.57 0.30 0.00 -0.26 0.00 0.00 64.21 63.34 1i9a n SER 159 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1i9a h PRO 160 N 1.55 0.85 -1.81 4.33 0.11 -1.92 -2.85 132.00 132.27 1i9a h PRO 160 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1i9a h PRO 160 Cb 1.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1i9a h PRO 160 CO 0.58 0.56 0.00 -2.67 -0.21 0.00 0.00 178.00 176.26 1i9a n TRP 161 N -4.48 0.00 -0.35 0.65 2.14 -1.26 -4.66 117.44 109.48 1i9a n TRP 161 Ca 0.12 -0.60 0.00 0.00 2.07 0.00 0.00 57.50 59.09 1i9a n TRP 161 Cb 0.20 -0.36 0.00 0.00 -0.81 0.00 0.00 31.31 30.34 1i9a n TRP 161 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1i9a n VAL 163 N 1.37 0.00 0.00 -1.67 0.31 -1.08 -4.61 118.33 112.66 1i9a n VAL 163 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1i9a n VAL 163 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1i9a n VAL 163 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i9a n GLN 165 N -0.35 0.00 0.00 5.55 6.02 -1.26 -1.32 117.38 126.02 1i9a n GLN 165 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 1i9a n GLN 165 Cb 0.00 0.00 0.79 0.00 1.02 0.00 0.00 30.24 32.05 1i9a n GLN 165 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i9a n ALA 166 N 0.00 2.66 0.68 -1.58 0.00 -1.26 -3.19 120.51 117.82 1i9a n ALA 166 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1i9a n ALA 166 Cb 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.09 1i9a n ALA 166 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i9a n THR 167 N -0.75 0.13 -2.75 0.00 -1.04 -0.43 -4.66 114.28 104.78 1i9a n THR 167 Ca 0.21 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.61 1i9a n THR 167 Cb 0.20 0.29 -0.03 0.00 -1.82 0.00 0.00 70.33 68.97 1i9a n THR 167 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1i9a s ASN 168 N -3.69 6.74 0.16 8.00 3.84 -1.19 -4.96 114.94 123.84 1i9a s ASN 168 Ca 0.05 0.69 -0.24 0.00 0.21 0.00 0.00 52.86 53.58 1i9a s ASN 168 Cb 0.15 -2.49 0.03 0.00 -0.55 0.00 0.00 41.25 38.39 1i9a s ASN 168 CO 0.79 -0.89 1.38 0.54 -2.79 0.00 0.00 177.10 176.13 1i9a n ARG 169 N 6.88 -0.34 -0.01 0.43 1.74 -1.26 -1.38 116.66 122.72 1i9a n ARG 169 Ca 0.09 1.36 -0.10 0.00 -0.77 0.00 0.00 57.85 58.43 1i9a n ARG 169 Cb 0.48 -2.01 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 1i9a n ARG 169 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1i9a h GLU 170 N 0.00 0.09 -0.66 5.56 4.39 -1.95 -1.61 114.58 120.39 1i9a h GLU 170 Ca 0.20 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.98 1i9a h GLU 170 Cb 0.42 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1i9a h GLU 170 CO -0.86 0.06 0.32 0.00 -1.16 0.00 0.00 179.01 177.37 1i9a h ALA 171 N 1.08 0.89 0.04 3.43 0.00 -1.47 -0.19 119.26 123.05 1i9a h ALA 171 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i9a h ALA 171 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i9a h ALA 171 CO -0.06 -0.08 -0.02 -0.09 0.00 0.00 0.00 179.25 179.00 1i9a h ARG 172 N 0.55 -0.06 -0.77 0.00 2.43 -0.86 0.21 114.38 115.89 1i9a h ARG 172 Ca 0.32 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1i9a h ARG 172 Cb 0.33 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1i9a h ARG 172 CO -0.26 0.02 0.51 0.87 -1.51 0.00 0.00 179.97 179.60 1i9a h LYS 173 N -0.11 0.98 -0.39 0.20 1.57 -0.88 0.13 116.57 118.06 1i9a h LYS 173 Ca -0.01 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1i9a h LYS 173 Cb 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1i9a h LYS 173 CO 0.01 0.65 -0.29 0.00 -0.57 0.00 0.00 179.45 179.25 1i9a h ARG 174 N 1.01 0.83 -0.38 3.15 3.08 -0.58 -1.83 114.38 119.67 1i9a h ARG 174 Ca 0.29 -0.38 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1i9a h ARG 174 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1i9a h ARG 174 CO -0.07 1.01 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.44 1i9a h LEU 175 N 0.71 0.89 -1.18 3.04 3.38 0.31 -0.98 115.31 121.48 1i9a h LEU 175 Ca 0.08 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1i9a h LEU 175 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1i9a h LEU 175 CO 0.07 1.14 -0.21 0.28 0.09 0.00 0.00 178.44 179.80 1i9a h SER 176 N 0.71 0.30 0.66 -0.43 0.02 -0.61 -3.06 113.55 111.13 1i9a h SER 176 Ca 0.07 -0.08 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 1i9a h SER 176 Cb 0.89 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 1i9a h SER 176 CO 0.08 0.53 -1.48 0.00 -1.14 0.00 0.00 176.83 174.82 1i9a h ALA 177 N 1.50 0.68 -0.61 3.77 0.00 -1.27 -3.40 119.26 119.93 1i9a h ALA 177 Ca 0.05 -1.20 0.20 0.00 0.00 0.00 0.00 54.91 53.96 1i9a h ALA 177 Cb 0.54 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 1i9a h ALA 177 CO 0.04 1.34 0.12 0.34 0.00 0.00 0.00 179.25 181.08 1i9a n PHE 178 N -3.06 0.49 1.36 0.00 7.35 -0.38 0.17 117.46 123.41 1i9a n PHE 178 Ca -0.12 0.73 0.14 0.00 -0.76 0.00 0.00 57.45 57.44 1i9a n PHE 178 Cb 0.97 -1.02 0.71 0.00 0.35 0.00 0.00 39.48 40.49 1i9a n PHE 178 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1i9a n THR 179 N -4.65 0.09 -2.92 -2.13 -2.24 -1.26 -4.81 114.28 96.35 1i9a n THR 179 Ca 0.17 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.56 1i9a n THR 179 Cb 0.57 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1i9a n THR 179 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1i9a s GLN 180 N -2.50 4.30 0.00 -0.78 -0.21 0.46 -5.01 119.66 115.92 1i9a s GLN 180 Ca 0.28 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.63 1i9a s GLN 180 Cb 0.19 -3.57 0.00 0.00 1.00 0.00 0.00 33.01 30.63 1i9a s GLN 180 CO 0.41 -0.29 0.45 1.28 -2.12 0.00 0.00 175.29 175.01