#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab9 s VAL 17 N 0.00 5.15 -1.09 1.39 1.01 -1.24 -4.01 120.40 121.61 1ab9 s VAL 17 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1ab9 s VAL 17 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1ab9 s VAL 17 CO 0.00 0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.97 1ab9 n ASN 18 N 3.90 -4.03 -1.28 3.32 3.02 -1.26 -5.02 115.26 113.90 1ab9 n ASN 18 Ca -0.06 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1ab9 n ASN 18 Cb 0.51 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 1ab9 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ab9 n GLY 19 N -1.32 0.87 3.15 7.41 0.00 -1.26 -5.13 105.19 108.90 1ab9 n GLY 19 Ca -0.12 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1ab9 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ab9 s GLU 20 N 1.19 0.75 0.24 1.61 -1.05 -1.26 -5.13 118.70 115.05 1ab9 s GLU 20 Ca 0.00 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.34 1ab9 s GLU 20 Cb 0.00 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.86 1ab9 s GLU 20 CO 0.00 -0.19 1.35 -2.00 0.95 0.00 0.00 175.26 175.37 1ab9 s GLU 21 N -3.92 4.35 0.53 -4.83 2.12 -1.26 -5.01 118.70 110.67 1ab9 s GLU 21 Ca 0.09 2.16 -0.07 0.00 0.36 0.00 0.00 54.97 57.52 1ab9 s GLU 21 Cb 0.07 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1ab9 s GLU 21 CO -0.08 -0.29 0.86 0.00 -0.54 0.00 0.00 175.26 175.21 1ab9 s ALA 22 N -0.15 3.31 0.02 6.30 0.00 -1.26 -5.02 121.76 124.96 1ab9 s ALA 22 Ca 0.56 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1ab9 s ALA 22 Cb -0.39 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1ab9 s ALA 22 CO 0.42 -0.48 1.26 0.08 0.00 0.00 0.00 175.76 177.05 1ab9 s VAL 23 N -2.88 3.97 0.01 0.00 1.01 -1.26 -4.91 120.40 116.34 1ab9 s VAL 23 Ca 0.50 1.37 -0.37 0.00 0.00 0.00 0.00 61.98 63.48 1ab9 s VAL 23 Cb -0.10 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1ab9 s VAL 23 CO 0.47 0.05 1.48 -2.65 0.00 0.00 0.00 175.10 174.45 1ab9 n PRO 24 N 4.64 1.31 -0.97 2.72 -0.02 -1.26 -1.67 135.00 139.76 1ab9 n PRO 24 Ca 0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ab9 n PRO 24 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1ab9 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ab9 n GLY 25 N 3.07 0.65 0.00 -1.23 0.00 -1.26 -4.91 105.19 101.51 1ab9 n GLY 25 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1ab9 n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ab9 n SER 26 N -0.07 0.00 -3.37 1.61 3.41 -0.67 -3.68 113.62 110.84 1ab9 n SER 26 Ca 0.00 0.33 -0.26 0.00 -0.26 0.00 0.00 58.87 58.68 1ab9 n SER 26 Cb 0.03 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 1ab9 n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ab9 n TRP 27 N -1.44 2.29 0.32 7.33 7.02 -1.26 -4.98 117.44 126.72 1ab9 n TRP 27 Ca 0.09 -3.96 0.18 0.00 -1.02 0.00 0.00 57.50 52.78 1ab9 n TRP 27 Cb 0.30 -0.48 0.93 0.00 -2.42 0.00 0.00 31.31 29.64 1ab9 n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1ab9 h PRO 28 N 4.22 0.00 0.00 -0.99 0.13 -1.76 -1.82 132.00 131.78 1ab9 h PRO 28 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1ab9 h PRO 28 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ab9 h PRO 28 CO 0.70 0.00 -0.70 -2.67 -0.23 0.00 0.00 178.00 175.11 1ab9 n TRP 29 N -3.03 0.49 -1.96 1.56 2.14 -1.11 -2.31 117.44 113.22 1ab9 n TRP 29 Ca -0.02 0.14 -0.42 0.00 2.07 0.00 0.00 57.50 59.27 1ab9 n TRP 29 Cb 0.30 -0.61 -0.03 0.00 -0.81 0.00 0.00 31.31 30.16 1ab9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ab9 s GLN 30 N -3.17 4.16 0.28 -2.67 2.00 -0.69 -1.17 119.66 118.41 1ab9 s GLN 30 Ca 0.06 2.24 0.11 0.00 -2.00 0.00 0.00 55.36 55.77 1ab9 s GLN 30 Cb 0.14 -4.01 -0.05 0.00 0.80 0.00 0.00 33.01 29.88 1ab9 s GLN 30 CO 0.73 -0.88 -0.16 0.14 -0.50 0.00 0.00 175.29 174.63 1ab9 s VAL 31 N 4.14 2.59 -0.12 1.34 -7.23 -0.31 -4.51 120.40 116.31 1ab9 s VAL 31 Ca 0.76 -2.32 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1ab9 s VAL 31 Cb -0.34 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1ab9 s VAL 31 CO 0.31 -0.38 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.09 1ab9 s SER 32 N -3.55 4.38 -0.27 4.85 0.15 -0.40 -2.15 113.70 116.72 1ab9 s SER 32 Ca 0.31 -0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.67 1ab9 s SER 32 Cb -0.04 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1ab9 s SER 32 CO 0.16 0.22 0.14 -0.76 1.20 0.00 0.00 173.24 174.20 1ab9 s LEU 33 N 0.01 3.78 0.08 3.45 1.43 -0.12 -0.34 118.68 126.97 1ab9 s LEU 33 Ca -0.02 -0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1ab9 s LEU 33 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1ab9 s LEU 33 CO 0.03 -0.05 -0.25 -1.10 0.23 0.00 0.00 176.35 175.22 1ab9 s GLN 34 N 1.69 1.53 0.84 1.70 -0.21 -0.25 -1.36 119.66 123.61 1ab9 s GLN 34 Ca 0.07 -1.16 -0.11 0.00 0.02 0.00 0.00 55.36 54.17 1ab9 s GLN 34 Cb -0.16 -1.81 0.19 0.00 1.00 0.00 0.00 33.01 32.23 1ab9 s GLN 34 CO 0.08 0.45 1.15 -0.40 -2.12 0.00 0.00 175.29 174.45 1ab9 n ASP 35 N 1.44 0.46 0.32 5.90 5.68 -0.69 -0.41 116.55 129.24 1ab9 n ASP 35 Ca -0.18 -1.64 0.18 0.00 -0.50 0.00 0.00 54.79 52.66 1ab9 n ASP 35 Cb 0.53 -0.84 1.05 0.00 -1.14 0.00 0.00 41.12 40.71 1ab9 n ASP 35 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1ab9 h LYS 36 N 0.00 0.00 -0.00 0.11 2.10 -1.92 -1.10 116.57 115.76 1ab9 h LYS 36 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1ab9 h LYS 36 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1ab9 h LYS 36 CO 0.30 0.00 -0.01 0.25 -2.00 0.00 0.00 179.45 177.99 1ab9 n THR 37 N -3.51 0.00 -0.25 0.07 -2.24 -1.26 -4.89 114.28 102.19 1ab9 n THR 37 Ca -0.03 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ab9 n THR 37 Cb 0.08 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1ab9 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab9 n GLY 38 N 1.44 0.83 3.68 3.38 0.00 -0.42 -5.06 105.19 109.05 1ab9 n GLY 38 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ab9 n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ab9 s PHE 39 N -2.08 3.47 -0.17 1.61 5.36 -1.26 -4.82 117.98 120.09 1ab9 s PHE 39 Ca 0.00 1.45 -0.29 0.00 -0.96 0.00 0.00 56.93 57.13 1ab9 s PHE 39 Cb 0.00 -3.12 -0.01 0.00 -0.34 0.00 0.00 43.02 39.55 1ab9 s PHE 39 CO 0.00 -0.24 1.17 -1.58 -1.46 0.00 0.00 175.22 173.11 1ab9 s HIS 40 N 2.13 3.08 -0.03 10.12 5.65 -1.26 -1.71 115.29 133.27 1ab9 s HIS 40 Ca 0.44 1.21 0.01 0.00 0.25 0.00 0.00 55.06 56.97 1ab9 s HIS 40 Cb -0.17 -3.40 -0.02 0.00 -1.18 0.00 0.00 32.58 27.80 1ab9 s HIS 40 CO 0.15 -1.20 0.05 1.97 -0.65 0.00 0.00 174.74 175.05 1ab9 n PHE 41 N 6.26 0.00 -3.60 3.88 -1.74 -0.46 -5.01 117.46 116.79 1ab9 n PHE 41 Ca 0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.93 1ab9 n PHE 41 Cb 0.46 -0.02 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 1ab9 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ab9 s GLY 43 N -2.76 2.01 0.13 0.00 0.00 -1.26 -0.94 107.32 104.49 1ab9 s GLY 43 Ca 0.06 -1.75 -0.26 0.00 0.00 0.00 0.00 44.72 42.77 1ab9 s GLY 43 CO -0.05 -1.81 1.01 -0.32 0.00 0.00 0.00 173.10 171.94 1ab9 s GLY 44 N -4.50 -0.26 -0.03 0.20 0.00 -0.91 -4.67 107.32 97.14 1ab9 s GLY 44 Ca 0.49 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.44 1ab9 s GLY 44 CO 0.31 0.02 -0.07 -0.56 0.00 0.00 0.00 173.10 172.80 1ab9 s SER 45 N -2.95 1.08 0.07 1.64 0.01 -0.00 -1.16 113.70 112.39 1ab9 s SER 45 Ca 0.13 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.92 1ab9 s SER 45 Cb -0.00 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.77 1ab9 s SER 45 CO 0.01 0.01 1.13 -0.76 0.41 0.00 0.00 173.24 174.04 1ab9 s LEU 46 N 0.51 4.39 -0.00 2.44 1.43 -0.32 -0.58 118.68 126.55 1ab9 s LEU 46 Ca -0.07 1.95 0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1ab9 s LEU 46 Cb -0.11 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.40 1ab9 s LEU 46 CO 0.01 -0.37 0.47 2.30 0.23 0.00 0.00 176.35 178.98 1ab9 n ILE 47 N 3.62 0.00 -3.96 -0.59 -5.35 -0.73 -1.99 119.36 110.36 1ab9 n ILE 47 Ca 0.07 -0.24 0.01 0.00 -0.27 0.00 0.00 62.75 62.33 1ab9 n ILE 47 Cb 0.47 0.96 0.01 0.00 -1.74 0.00 0.00 39.64 39.34 1ab9 n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ab9 s ASN 48 N -2.14 0.01 0.60 7.28 2.20 -1.23 -4.71 114.94 116.94 1ab9 s ASN 48 Ca 0.04 -0.30 0.36 0.00 -0.94 0.00 0.00 52.86 52.02 1ab9 s ASN 48 Cb 0.08 0.22 1.93 0.00 -2.00 0.00 0.00 41.25 41.49 1ab9 s ASN 48 CO 0.47 -0.44 2.23 -0.33 -2.94 0.00 0.00 177.10 176.09 1ab9 h GLU 49 N 2.00 0.00 -0.01 3.55 3.07 -1.97 -3.18 114.58 118.04 1ab9 h GLU 49 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1ab9 h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1ab9 h GLU 49 CO 0.32 0.03 -0.04 0.09 -1.40 0.00 0.00 179.01 178.01 1ab9 n ASN 50 N -3.37 1.42 -4.01 1.42 3.02 -1.26 -0.52 115.26 111.96 1ab9 n ASN 50 Ca -0.02 -1.21 -0.17 0.00 -0.03 0.00 0.00 54.58 53.15 1ab9 n ASN 50 Cb 0.15 0.13 -0.14 0.00 -0.61 0.00 0.00 39.78 39.30 1ab9 n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ab9 s TRP 51 N -0.71 0.69 -0.04 3.10 0.52 -1.20 -0.90 118.94 120.39 1ab9 s TRP 51 Ca 0.07 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1ab9 s TRP 51 Cb 0.06 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.94 1ab9 s TRP 51 CO 0.11 -0.02 -0.15 0.08 0.02 0.00 0.00 176.95 177.00 1ab9 s VAL 52 N -0.35 1.24 -0.15 4.03 1.01 -0.67 -1.77 120.40 123.74 1ab9 s VAL 52 Ca 0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1ab9 s VAL 52 Cb -0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1ab9 s VAL 52 CO -0.00 0.37 0.09 -0.69 0.00 0.00 0.00 175.10 174.87 1ab9 s VAL 53 N 0.16 5.09 0.09 2.92 1.01 0.25 -0.62 120.40 129.30 1ab9 s VAL 53 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1ab9 s VAL 53 Cb -0.11 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1ab9 s VAL 53 CO 0.02 0.53 0.12 1.07 0.00 0.00 0.00 175.10 176.84 1ab9 n THR 54 N 2.79 0.00 -3.33 3.92 5.66 -0.27 -0.82 114.28 122.23 1ab9 n THR 54 Ca -0.18 -0.49 -0.38 0.00 -3.05 0.00 0.00 64.05 59.95 1ab9 n THR 54 Cb 0.53 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 1ab9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ab9 s ALA 55 N -1.96 3.60 0.34 1.79 0.00 -1.26 -1.35 121.76 122.92 1ab9 s ALA 55 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1ab9 s ALA 55 Cb -0.00 -2.58 0.59 0.00 0.00 0.00 0.00 23.12 21.13 1ab9 s ALA 55 CO 0.06 0.35 1.92 0.00 0.00 0.00 0.00 175.76 178.09 1ab9 h ALA 56 N 4.94 1.42 0.00 0.00 0.00 -1.72 -2.38 119.26 121.53 1ab9 h ALA 56 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ab9 h ALA 56 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ab9 h ALA 56 CO 0.65 0.44 0.00 -2.39 0.00 0.00 0.00 179.25 177.95 1ab9 n HIS 57 N -4.35 0.25 0.30 0.00 1.44 -1.26 -2.20 115.22 109.41 1ab9 n HIS 57 Ca 0.04 0.11 0.19 0.00 -2.01 0.00 0.00 57.72 56.04 1ab9 n HIS 57 Cb 0.16 -0.67 0.88 0.00 0.12 0.00 0.00 29.99 30.48 1ab9 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ab9 n GLY 59 N -0.51 -0.46 3.76 0.00 0.00 -0.93 -4.95 105.19 102.10 1ab9 n GLY 59 Ca -0.01 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ab9 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab9 s VAL 60 N -3.36 2.65 0.33 1.61 1.01 -1.26 -5.04 120.40 116.33 1ab9 s VAL 60 Ca 0.36 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1ab9 s VAL 60 Cb -0.16 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1ab9 s VAL 60 CO 0.75 0.01 0.05 0.42 0.00 0.00 0.00 175.10 176.34 1ab9 s THR 61 N -1.40 1.22 -1.75 3.92 -4.23 -1.26 -4.99 115.64 107.15 1ab9 s THR 61 Ca 0.65 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.33 1ab9 s THR 61 Cb -0.35 -2.80 0.41 0.00 1.34 0.00 0.00 72.50 71.11 1ab9 s THR 61 CO 0.42 -0.01 1.47 0.35 -0.54 0.00 0.00 174.62 176.32 1ab9 n THR 62 N -0.69 0.23 0.50 3.99 -2.24 -1.26 -1.98 114.28 112.82 1ab9 n THR 62 Ca -0.02 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1ab9 n THR 62 Cb 0.67 -0.78 0.11 0.00 -2.10 0.00 0.00 70.33 68.23 1ab9 n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ab9 h SER 63 N 0.00 0.00 -4.28 3.42 0.02 -1.95 -3.41 113.55 107.35 1ab9 h SER 63 Ca 0.00 -0.22 -0.50 0.00 -0.84 0.00 0.00 61.79 60.23 1ab9 h SER 63 Cb 0.07 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.67 1ab9 h SER 63 CO 0.00 0.11 0.38 -1.81 -1.14 0.00 0.00 176.83 174.37 1ab9 s ASP 64 N -4.31 6.00 0.01 3.07 1.01 -0.84 -4.21 116.67 117.39 1ab9 s ASP 64 Ca 0.05 1.26 0.08 0.00 0.71 0.00 0.00 52.55 54.65 1ab9 s ASP 64 Cb 0.13 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1ab9 s ASP 64 CO 0.75 -0.97 -0.24 -0.69 0.21 0.00 0.00 175.17 174.23 1ab9 s VAL 65 N -3.17 1.90 -0.24 -1.27 1.01 0.45 -4.27 120.40 114.81 1ab9 s VAL 65 Ca 0.55 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1ab9 s VAL 65 Cb -0.11 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1ab9 s VAL 65 CO 0.52 0.44 0.27 -0.69 0.00 0.00 0.00 175.10 175.65 1ab9 s VAL 66 N -0.65 5.27 -0.24 2.92 1.01 -0.64 -1.09 120.40 126.98 1ab9 s VAL 66 Ca 0.09 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1ab9 s VAL 66 Cb -0.09 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ab9 s VAL 66 CO 0.00 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.68 1ab9 s VAL 67 N 1.36 3.55 0.15 2.92 1.01 0.54 -0.22 120.40 129.72 1ab9 s VAL 67 Ca 0.12 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1ab9 s VAL 67 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1ab9 s VAL 67 CO 0.07 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.45 1ab9 s ALA 68 N 1.49 3.05 -0.06 5.51 0.00 -0.10 -1.28 121.76 130.37 1ab9 s ALA 68 Ca 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1ab9 s ALA 68 Cb -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1ab9 s ALA 68 CO -0.02 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1ab9 n GLY 69 N 0.18 0.48 3.85 0.00 0.00 -1.26 -1.04 105.19 107.40 1ab9 n GLY 69 Ca -0.11 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1ab9 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ab9 s GLU 70 N -0.77 3.87 0.09 1.61 2.12 -1.26 -4.63 118.70 119.72 1ab9 s GLU 70 Ca 0.00 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1ab9 s GLU 70 Cb 0.00 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1ab9 s GLU 70 CO 0.00 0.53 0.00 0.34 -0.54 0.00 0.00 175.26 175.59 1ab9 n PHE 71 N 0.89 -0.42 -3.71 5.30 7.35 -1.26 -4.85 117.46 120.76 1ab9 n PHE 71 Ca -0.07 0.07 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 1ab9 n PHE 71 Cb 0.52 0.16 -0.11 0.00 0.35 0.00 0.00 39.48 40.40 1ab9 n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1ab9 s ASP 72 N -5.39 5.40 0.07 -2.13 -1.08 -1.26 -4.96 116.67 107.33 1ab9 s ASP 72 Ca 0.00 -1.43 0.15 0.00 -0.52 0.00 0.00 52.55 50.75 1ab9 s ASP 72 Cb 0.00 -1.90 0.64 0.00 -1.46 0.00 0.00 42.92 40.20 1ab9 s ASP 72 CO 0.00 -0.44 1.47 0.00 0.52 0.00 0.00 175.17 176.72 1ab9 n GLN 73 N 4.81 0.05 0.00 4.34 6.02 -1.26 -1.76 117.38 129.57 1ab9 n GLN 73 Ca -0.10 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 1ab9 n GLN 73 Cb 0.43 -1.59 0.22 0.00 1.02 0.00 0.00 30.24 30.32 1ab9 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ab9 n GLY 74 N -0.23 -0.91 3.81 1.08 0.00 -1.26 -4.92 105.19 102.77 1ab9 n GLY 74 Ca 0.03 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1ab9 n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ab9 s SER 75 N -2.80 7.07 0.00 1.61 0.15 -0.72 -4.97 113.70 114.04 1ab9 s SER 75 Ca 0.16 1.42 0.13 0.00 0.70 0.00 0.00 55.95 58.35 1ab9 s SER 75 Cb 0.18 -2.42 0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1ab9 s SER 75 CO 0.65 0.05 0.79 -1.54 1.20 0.00 0.00 173.24 174.39 1ab9 n SER 76 N 0.80 1.64 -0.99 5.45 3.41 -1.26 -4.55 113.62 118.12 1ab9 n SER 76 Ca -0.03 -1.32 0.10 0.00 -0.26 0.00 0.00 58.87 57.36 1ab9 n SER 76 Cb 0.51 0.29 0.18 0.00 -0.26 0.00 0.00 64.21 64.92 1ab9 n SER 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ab9 n SER 77 N 0.16 3.17 -4.78 4.04 3.41 -1.26 -4.96 113.62 113.40 1ab9 n SER 77 Ca 0.06 -1.92 -0.39 0.00 -0.26 0.00 0.00 58.87 56.36 1ab9 n SER 77 Cb 0.28 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1ab9 n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ab9 s GLU 78 N -1.38 4.56 -1.26 4.33 2.02 -1.26 -4.97 118.70 120.73 1ab9 s GLU 78 Ca 0.33 1.18 -0.14 0.00 0.02 0.00 0.00 54.97 56.36 1ab9 s GLU 78 Cb 0.19 -3.12 0.14 0.00 0.10 0.00 0.00 34.13 31.44 1ab9 s GLU 78 CO 0.27 0.49 1.63 1.63 0.02 0.00 0.00 175.26 179.30 1ab9 n LYS 79 N 1.26 3.35 -2.52 1.61 5.02 -1.26 -4.97 118.16 120.65 1ab9 n LYS 79 Ca -0.03 -3.60 -0.26 0.00 -2.02 0.00 0.00 58.31 52.40 1ab9 n LYS 79 Cb 0.49 -3.12 0.03 0.00 -0.02 0.00 0.00 35.03 32.41 1ab9 n LYS 79 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ab9 s ILE 80 N 1.96 3.63 -0.21 -0.18 -4.36 -1.26 -4.88 121.20 115.90 1ab9 s ILE 80 Ca 0.45 -0.14 0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1ab9 s ILE 80 Cb 0.02 -3.42 0.03 0.00 1.25 0.00 0.00 42.46 40.34 1ab9 s ILE 80 CO 0.01 -0.40 -0.16 -1.10 0.24 0.00 0.00 174.94 173.53 1ab9 s GLN 81 N -4.90 2.66 -0.43 0.37 -0.21 -0.21 -4.98 119.66 111.96 1ab9 s GLN 81 Ca 0.53 -0.99 -0.18 0.00 0.02 0.00 0.00 55.36 54.74 1ab9 s GLN 81 Cb -0.10 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.28 1ab9 s GLN 81 CO 0.43 -0.34 0.51 0.15 -2.12 0.00 0.00 175.29 173.92 1ab9 s LYS 82 N 1.24 3.15 -0.10 2.91 1.02 -1.26 -0.93 119.74 125.77 1ab9 s LYS 82 Ca 0.00 -0.65 -0.02 0.00 0.02 0.00 0.00 55.97 55.32 1ab9 s LYS 82 Cb -0.15 -3.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 1ab9 s LYS 82 CO -0.10 -0.92 -0.01 -0.51 -0.92 0.00 0.00 175.35 172.89 1ab9 s LEU 83 N 2.36 3.47 0.39 3.17 1.43 0.70 -4.96 118.68 125.23 1ab9 s LEU 83 Ca 0.15 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 1ab9 s LEU 83 Cb -0.16 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.18 1ab9 s LEU 83 CO 0.15 0.32 0.81 -0.54 0.23 0.00 0.00 176.35 177.32 1ab9 s LYS 84 N -0.57 3.94 -0.22 1.70 1.02 -1.26 -1.63 119.74 122.73 1ab9 s LYS 84 Ca 0.09 0.69 -0.09 0.00 0.02 0.00 0.00 55.97 56.68 1ab9 s LYS 84 Cb -0.12 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1ab9 s LYS 84 CO 0.02 0.01 0.13 0.42 -0.92 0.00 0.00 175.35 175.01 1ab9 s ILE 85 N -2.23 5.14 -0.15 2.17 1.01 -1.26 -0.58 121.20 125.30 1ab9 s ILE 85 Ca 0.55 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 1ab9 s ILE 85 Cb -0.10 -3.38 -0.25 0.00 0.01 0.00 0.00 42.46 38.75 1ab9 s ILE 85 CO 0.24 0.38 0.63 0.00 0.00 0.00 0.00 174.94 176.19 1ab9 h ALA 86 N 7.31 0.07 -2.85 9.38 0.00 -1.03 -3.44 119.26 128.70 1ab9 h ALA 86 Ca -0.38 -0.71 -0.15 0.00 0.00 0.00 0.00 54.91 53.67 1ab9 h ALA 86 Cb 1.17 0.20 -0.22 0.00 0.00 0.00 0.00 17.79 18.95 1ab9 h ALA 86 CO 0.67 0.22 -0.48 0.15 0.00 0.00 0.00 179.25 179.81 1ab9 s LYS 87 N -2.28 0.44 -0.22 0.00 1.02 -1.11 -4.98 119.74 112.61 1ab9 s LYS 87 Ca -0.21 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.48 1ab9 s LYS 87 Cb -0.00 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.48 1ab9 s LYS 87 CO 0.68 -0.10 -0.02 0.08 -0.92 0.00 0.00 175.35 175.07 1ab9 s VAL 88 N -1.08 3.57 -0.54 3.17 1.01 -1.26 -1.57 120.40 123.71 1ab9 s VAL 88 Ca -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1ab9 s VAL 88 Cb -0.06 -2.63 0.14 0.00 0.00 0.00 0.00 36.38 33.82 1ab9 s VAL 88 CO 0.01 0.41 0.36 -0.36 0.00 0.00 0.00 175.10 175.52 1ab9 s PHE 89 N 1.47 3.49 -0.09 5.22 0.40 0.58 -4.99 117.98 124.05 1ab9 s PHE 89 Ca 0.05 -2.47 -0.26 0.00 -0.60 0.00 0.00 56.93 53.66 1ab9 s PHE 89 Cb -0.14 -3.28 -0.03 0.00 0.51 0.00 0.00 43.02 40.08 1ab9 s PHE 89 CO -0.02 -0.92 0.83 0.21 0.70 0.00 0.00 175.22 176.02 1ab9 s LYS 90 N 0.56 4.41 0.04 0.44 2.20 -1.26 -0.78 119.74 125.35 1ab9 s LYS 90 Ca 0.12 1.07 -0.34 0.00 -0.36 0.00 0.00 55.97 56.46 1ab9 s LYS 90 Cb -0.21 -3.50 -0.13 0.00 -1.51 0.00 0.00 37.83 32.47 1ab9 s LYS 90 CO -0.04 -0.13 1.69 -1.71 -0.36 0.00 0.00 175.35 174.80 1ab9 n ASN 91 N 4.42 3.11 0.33 1.43 2.85 -0.95 -4.83 115.26 121.62 1ab9 n ASN 91 Ca 0.03 1.04 0.21 0.00 -0.11 0.00 0.00 54.58 55.75 1ab9 n ASN 91 Cb 0.50 -1.38 1.13 0.00 1.24 0.00 0.00 39.78 41.27 1ab9 n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1ab9 h SER 92 N 7.17 0.00 -0.01 1.20 4.64 -1.94 0.51 113.55 125.11 1ab9 h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ab9 h SER 92 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ab9 h SER 92 CO 0.91 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.16 1ab9 n LYS 93 N -3.12 1.59 -1.76 4.77 5.02 -1.26 -4.92 118.16 118.48 1ab9 n LYS 93 Ca -0.03 -0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 54.99 1ab9 n LYS 93 Cb 0.13 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1ab9 n LYS 93 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ab9 s TYR 94 N -2.00 2.87 -0.33 2.13 5.04 0.17 -4.67 117.35 120.55 1ab9 s TYR 94 Ca 0.39 0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1ab9 s TYR 94 Cb 0.21 -4.11 0.07 0.00 0.35 0.00 0.00 41.96 38.48 1ab9 s TYR 94 CO 0.34 -4.24 0.06 1.21 -1.34 0.00 0.00 175.55 171.58 1ab9 s ASN 95 N 1.29 4.95 0.55 4.32 3.84 -0.51 -4.98 114.94 124.40 1ab9 s ASN 95 Ca 0.75 -1.62 0.32 0.00 0.21 0.00 0.00 52.86 52.52 1ab9 s ASN 95 Cb -0.49 -1.72 1.57 0.00 -0.55 0.00 0.00 41.25 40.06 1ab9 s ASN 95 CO 0.32 -0.35 2.09 0.77 -2.79 0.00 0.00 177.10 177.14 1ab9 h SER 96 N 7.95 0.00 0.49 -4.21 4.64 -1.93 0.53 113.55 121.01 1ab9 h SER 96 Ca -0.16 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.94 1ab9 h SER 96 Cb 1.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ab9 h SER 96 CO 0.57 0.08 -0.94 -0.07 -0.87 0.00 0.00 176.83 175.60 1ab9 h LEU 97 N 0.00 0.39 -0.43 5.97 4.07 -1.97 -3.32 115.31 120.02 1ab9 h LEU 97 Ca -0.00 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1ab9 h LEU 97 Cb 0.35 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1ab9 h LEU 97 CO 0.01 1.14 -0.33 0.35 -1.08 0.00 0.00 178.44 178.53 1ab9 n THR 98 N -3.68 0.00 -2.27 0.22 -2.24 -1.11 -4.99 114.28 100.21 1ab9 n THR 98 Ca -0.05 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 1ab9 n THR 98 Cb 0.84 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 70.12 1ab9 n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ab9 n ILE 99 N -0.68 -0.80 -3.29 2.28 2.08 0.18 -4.99 119.36 114.14 1ab9 n ILE 99 Ca 0.03 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.01 1ab9 n ILE 99 Cb 0.19 -2.67 -0.06 0.00 -0.75 0.00 0.00 39.64 36.36 1ab9 n ILE 99 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1ab9 s ASN 100 N -2.21 6.76 -1.21 4.38 3.04 -1.06 -4.08 114.94 120.56 1ab9 s ASN 100 Ca 0.00 1.11 -0.04 0.00 0.04 0.00 0.00 52.86 53.97 1ab9 s ASN 100 Cb 0.00 -2.30 0.00 0.00 -1.54 0.00 0.00 41.25 37.41 1ab9 s ASN 100 CO 0.00 -0.06 1.03 0.59 -3.04 0.00 0.00 177.10 175.62 1ab9 n ASN 101 N 0.12 -3.94 -3.96 -4.21 3.02 -1.26 -1.43 115.26 103.60 1ab9 n ASN 101 Ca -0.00 -0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 1ab9 n ASN 101 Cb 0.52 -4.85 -0.02 0.00 -0.61 0.00 0.00 39.78 34.83 1ab9 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ab9 n ASP 102 N -2.91 3.66 -3.83 6.41 2.03 -1.26 -4.14 116.55 116.52 1ab9 n ASP 102 Ca -0.14 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.24 1ab9 n ASP 102 Cb 0.61 -1.55 -0.12 0.00 -0.72 0.00 0.00 41.12 39.35 1ab9 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ab9 s ILE 103 N 4.66 0.02 -0.02 5.18 2.07 -1.26 -3.54 121.20 128.30 1ab9 s ILE 103 Ca 0.53 -0.15 -0.02 0.00 -1.41 0.00 0.00 60.65 59.61 1ab9 s ILE 103 Cb 0.11 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.42 1ab9 s ILE 103 CO 0.02 -0.08 0.05 -0.89 -1.91 0.00 0.00 174.94 172.12 1ab9 s THR 104 N -0.23 0.01 -0.07 4.00 2.01 -0.45 -2.24 115.64 118.66 1ab9 s THR 104 Ca -0.03 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1ab9 s THR 104 Cb -0.03 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 1ab9 s THR 104 CO 0.01 -0.03 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.13 1ab9 s LEU 105 N -0.07 3.50 -0.18 4.42 1.43 0.04 -1.12 118.68 126.71 1ab9 s LEU 105 Ca -0.01 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1ab9 s LEU 105 Cb -0.01 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1ab9 s LEU 105 CO 0.00 0.37 -0.19 -0.76 0.23 0.00 0.00 176.35 175.99 1ab9 s LEU 106 N -0.94 2.17 -0.18 1.79 1.43 0.21 -0.31 118.68 122.85 1ab9 s LEU 106 Ca 0.14 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 1ab9 s LEU 106 Cb -0.11 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1ab9 s LEU 106 CO 0.03 0.01 0.50 -0.75 0.23 0.00 0.00 176.35 176.38 1ab9 s LYS 107 N 1.22 4.22 0.30 1.70 2.20 -0.61 -1.67 119.74 127.11 1ab9 s LYS 107 Ca 0.03 0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 55.77 1ab9 s LYS 107 Cb -0.13 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 1ab9 s LYS 107 CO -0.11 -0.08 0.97 -0.51 -0.36 0.00 0.00 175.35 175.27 1ab9 s LEU 108 N 1.40 4.45 0.11 5.43 1.43 -0.08 -0.50 118.68 130.92 1ab9 s LEU 108 Ca 0.24 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.16 1ab9 s LEU 108 Cb -0.15 -3.85 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 1ab9 s LEU 108 CO 0.10 -0.05 1.42 -1.28 0.23 0.00 0.00 176.35 176.77 1ab9 h SER 109 N 3.50 0.86 -3.30 2.29 0.87 -1.12 -3.42 113.55 113.23 1ab9 h SER 109 Ca -0.46 -0.50 -0.66 0.00 -1.23 0.00 0.00 61.79 58.94 1ab9 h SER 109 Cb 1.20 -0.24 -0.33 0.00 -0.44 0.00 0.00 62.40 62.58 1ab9 h SER 109 CO 0.66 1.18 -0.87 0.42 -0.53 0.00 0.00 176.83 177.69 1ab9 s THR 110 N -4.27 1.94 0.41 2.23 -4.23 -1.26 -4.98 115.64 105.48 1ab9 s THR 110 Ca -0.12 -0.94 -0.26 0.00 -1.18 0.00 0.00 61.69 59.19 1ab9 s THR 110 Cb 0.09 -1.70 -0.09 0.00 1.34 0.00 0.00 72.50 72.14 1ab9 s THR 110 CO 0.86 0.53 1.38 0.00 -0.54 0.00 0.00 174.62 176.84 1ab9 s ALA 111 N 0.56 3.34 0.57 3.99 0.00 -1.26 -4.75 121.76 124.20 1ab9 s ALA 111 Ca -0.14 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1ab9 s ALA 111 Cb -0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1ab9 s ALA 111 CO 0.04 -0.96 1.10 0.00 0.00 0.00 0.00 175.76 175.95 1ab9 s ALA 112 N -1.20 2.67 -0.37 0.00 0.00 0.32 -5.00 121.76 118.18 1ab9 s ALA 112 Ca 0.56 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1ab9 s ALA 112 Cb -0.42 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1ab9 s ALA 112 CO 0.54 -0.83 0.22 0.45 0.00 0.00 0.00 175.76 176.14 1ab9 s SER 113 N -2.13 5.79 0.39 0.00 0.15 -1.26 -4.82 113.70 111.81 1ab9 s SER 113 Ca 0.69 -0.91 -0.26 0.00 0.70 0.00 0.00 55.95 56.18 1ab9 s SER 113 Cb -0.21 -2.05 -0.09 0.00 -1.71 0.00 0.00 66.02 61.97 1ab9 s SER 113 CO 0.31 -0.37 1.18 -0.36 1.20 0.00 0.00 173.24 175.19 1ab9 s PHE 114 N 1.59 3.10 0.00 3.44 0.40 -1.26 -4.79 117.98 120.45 1ab9 s PHE 114 Ca 0.03 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.91 1ab9 s PHE 114 Cb -0.19 -3.41 0.00 0.00 0.51 0.00 0.00 43.02 39.93 1ab9 s PHE 114 CO 0.07 -1.31 0.00 -1.13 0.70 0.00 0.00 175.22 173.55 1ab9 n SER 115 N 0.21 0.00 0.21 1.36 3.41 0.01 -4.94 113.62 113.88 1ab9 n SER 115 Ca 0.04 -0.26 0.05 0.00 -0.26 0.00 0.00 58.87 58.44 1ab9 n SER 115 Cb 0.46 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.87 1ab9 n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1ab9 h GLN 116 N 0.00 0.00 -0.02 4.33 4.20 -1.98 -3.03 115.11 118.61 1ab9 h GLN 116 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ab9 h GLN 116 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ab9 h GLN 116 CO 0.00 0.27 -0.05 0.25 -0.67 0.00 0.00 178.83 178.63 1ab9 n THR 117 N -4.05 0.00 -3.75 -0.54 -2.24 -1.26 -4.88 114.28 97.56 1ab9 n THR 117 Ca -0.02 -0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 61.03 1ab9 n THR 117 Cb 0.34 1.33 -0.17 0.00 -2.10 0.00 0.00 70.33 69.73 1ab9 n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ab9 s VAL 118 N -1.50 0.48 0.38 2.28 1.01 -1.14 -4.37 120.40 117.53 1ab9 s VAL 118 Ca 0.19 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1ab9 s VAL 118 Cb 0.14 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1ab9 s VAL 118 CO 0.24 -0.04 0.78 -0.94 0.00 0.00 0.00 175.10 175.15 1ab9 s SER 119 N 1.90 0.01 0.09 3.32 1.04 -0.98 -0.81 113.70 118.27 1ab9 s SER 119 Ca 0.01 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 1ab9 s SER 119 Cb -0.15 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 1ab9 s SER 119 CO -0.07 -1.68 0.25 0.00 0.98 0.00 0.00 173.24 172.72 1ab9 s ALA 120 N -2.35 3.96 0.26 5.32 0.00 -1.26 -2.74 121.76 124.95 1ab9 s ALA 120 Ca 0.16 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 1ab9 s ALA 120 Cb -0.05 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 1ab9 s ALA 120 CO 0.11 0.76 0.54 0.54 0.00 0.00 0.00 175.76 177.72 1ab9 s VAL 121 N -1.57 5.01 0.48 0.00 0.11 -0.84 -4.90 120.40 118.69 1ab9 s VAL 121 Ca 0.36 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.44 1ab9 s VAL 121 Cb -0.13 -3.70 -0.07 0.00 -1.53 0.00 0.00 36.38 30.96 1ab9 s VAL 121 CO 0.27 -0.23 0.91 0.00 -3.33 0.00 0.00 175.10 172.72 1ab9 s LEU 123 N -4.05 3.56 0.62 0.00 1.43 -1.26 -5.12 118.68 113.85 1ab9 s LEU 123 Ca 0.56 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1ab9 s LEU 123 Cb -0.10 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.96 1ab9 s LEU 123 CO 0.32 0.21 0.89 -2.16 0.23 0.00 0.00 176.35 175.85 1ab9 s PRO 124 N -2.08 2.48 0.42 1.29 0.04 -1.26 -5.08 135.00 130.82 1ab9 s PRO 124 Ca 0.25 -0.41 -0.14 0.00 0.04 0.00 0.00 61.00 60.74 1ab9 s PRO 124 Cb -0.12 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 1ab9 s PRO 124 CO 0.16 -0.92 0.84 -1.12 0.04 0.00 0.00 177.00 176.01 1ab9 s SER 125 N -4.43 6.62 0.52 6.66 0.01 -1.26 -4.95 113.70 116.86 1ab9 s SER 125 Ca 0.57 1.32 0.23 0.00 1.31 0.00 0.00 55.95 59.39 1ab9 s SER 125 Cb -0.11 -2.40 1.34 0.00 0.21 0.00 0.00 66.02 65.07 1ab9 s SER 125 CO 0.42 -0.42 2.00 0.00 0.41 0.00 0.00 173.24 175.66 1ab9 h ALA 126 N 1.37 2.41 -0.10 1.44 0.00 -2.08 -0.96 119.26 121.35 1ab9 h ALA 126 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ab9 h ALA 126 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ab9 h ALA 126 CO 0.63 -0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 1ab9 n SER 127 N -4.40 1.91 -4.76 0.00 3.41 -1.26 -4.95 113.62 103.57 1ab9 n SER 127 Ca 0.09 -1.67 -0.41 0.00 -0.26 0.00 0.00 58.87 56.62 1ab9 n SER 127 Cb 0.54 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1ab9 n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ab9 n ASP 128 N 0.48 3.48 -4.37 4.04 8.00 -0.37 -4.98 116.55 122.83 1ab9 n ASP 128 Ca 0.17 1.20 -0.34 0.00 0.71 0.00 0.00 54.79 56.53 1ab9 n ASP 128 Cb 0.40 -1.59 -0.14 0.00 -0.02 0.00 0.00 41.12 39.77 1ab9 n ASP 128 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ab9 s ASP 129 N -0.24 4.35 -0.39 -2.24 2.15 -1.26 -4.99 116.67 114.05 1ab9 s ASP 129 Ca 0.55 -0.31 0.03 0.00 0.43 0.00 0.00 52.55 53.25 1ab9 s ASP 129 Cb -0.49 -1.72 0.11 0.00 -0.30 0.00 0.00 42.92 40.53 1ab9 s ASP 129 CO 0.62 0.07 0.13 -0.36 -0.17 0.00 0.00 175.17 175.46 1ab9 s PHE 130 N 0.93 3.10 0.51 -5.34 0.08 -1.26 -5.11 117.98 110.89 1ab9 s PHE 130 Ca -0.01 -2.78 -0.23 0.00 0.12 0.00 0.00 56.93 54.04 1ab9 s PHE 130 Cb -0.15 -2.59 -0.06 0.00 -0.57 0.00 0.00 43.02 39.65 1ab9 s PHE 130 CO 0.01 -0.87 1.34 0.00 -0.10 0.00 0.00 175.22 175.59 1ab9 s ALA 131 N 0.67 2.93 0.46 5.36 0.00 -1.26 -4.98 121.76 124.94 1ab9 s ALA 131 Ca 0.13 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 1ab9 s ALA 131 Cb -0.21 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 1ab9 s ALA 131 CO -0.08 -1.22 1.37 0.00 0.00 0.00 0.00 175.76 175.83 1ab9 s ALA 132 N -1.32 3.14 0.00 0.00 0.00 -1.26 -2.07 121.76 120.25 1ab9 s ALA 132 Ca 0.68 1.36 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1ab9 s ALA 132 Cb -0.39 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1ab9 s ALA 132 CO 0.47 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1ab9 n GLY 133 N 0.62 3.36 3.76 0.00 0.00 -1.26 -5.04 105.19 106.62 1ab9 n GLY 133 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ab9 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ab9 s THR 134 N -2.99 2.58 -0.25 2.61 2.01 -0.88 -4.97 115.64 113.75 1ab9 s THR 134 Ca 0.00 0.53 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 1ab9 s THR 134 Cb 0.00 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1ab9 s THR 134 CO 0.00 0.11 0.45 -0.89 -0.69 0.00 0.00 174.62 173.59 1ab9 s THR 135 N -0.55 5.12 0.21 -0.82 2.01 -1.26 -5.06 115.64 115.30 1ab9 s THR 135 Ca 0.55 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.30 1ab9 s THR 135 Cb -0.42 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1ab9 s THR 135 CO 0.49 0.14 0.01 0.00 -0.69 0.00 0.00 174.62 174.58 1ab9 s VAL 137 N -1.70 0.69 0.06 0.00 1.01 -1.26 -5.15 120.40 114.05 1ab9 s VAL 137 Ca 0.01 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1ab9 s VAL 137 Cb -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1ab9 s VAL 137 CO 0.01 0.14 -0.19 0.28 0.00 0.00 0.00 175.10 175.35 1ab9 s THR 138 N -0.30 1.50 0.15 3.92 -1.32 -1.26 -5.16 115.64 113.17 1ab9 s THR 138 Ca 0.02 -1.24 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 1ab9 s THR 138 Cb -0.04 -1.34 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 1ab9 s THR 138 CO -0.00 0.06 -0.04 0.42 -2.21 0.00 0.00 174.62 172.85 1ab9 s THR 139 N -0.94 0.81 0.00 5.08 -4.23 -1.26 -5.09 115.64 110.01 1ab9 s THR 139 Ca 0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1ab9 s THR 139 Cb -0.09 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1ab9 s THR 139 CO 0.02 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1ab9 n GLY 140 N -0.19 1.70 1.54 3.99 0.00 -1.26 -4.96 105.19 106.02 1ab9 n GLY 140 Ca -0.09 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 1ab9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ab9 n TRP 141 N -1.02 1.81 -1.36 1.61 8.01 -1.26 -4.63 117.44 120.61 1ab9 n TRP 141 Ca 0.00 -1.33 -0.29 0.00 -1.31 0.00 0.00 57.50 54.57 1ab9 n TRP 141 Cb 0.00 -0.58 0.17 0.00 -2.01 0.00 0.00 31.31 28.89 1ab9 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ab9 s GLY 142 N -1.71 1.59 0.28 6.99 0.00 -1.26 -4.88 107.32 108.33 1ab9 s GLY 142 Ca 0.50 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 44.31 1ab9 s GLY 142 CO 0.08 0.04 1.12 1.04 0.00 0.00 0.00 173.10 175.39 1ab9 n LEU 143 N -4.10 2.24 0.01 0.66 4.77 -1.26 -2.26 117.00 117.06 1ab9 n LEU 143 Ca 0.08 1.18 0.11 0.00 -0.03 0.00 0.00 56.01 57.34 1ab9 n LEU 143 Cb 0.59 -1.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.26 1ab9 n LEU 143 CO 0.54 -1.11 -0.28 0.35 -1.33 0.00 0.00 177.39 175.56 1ab9 n THR 144 N 0.58 0.10 -3.74 -5.08 -2.24 -1.26 -0.44 114.28 102.19 1ab9 n THR 144 Ca 0.09 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1ab9 n THR 144 Cb 0.32 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 1ab9 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ab9 s ARG 145 N -3.27 0.49 0.00 -0.78 0.52 -1.26 -4.16 118.95 110.49 1ab9 s ARG 145 Ca 0.00 0.37 0.23 0.00 -0.52 0.00 0.00 55.73 55.81 1ab9 s ARG 145 Cb 0.14 0.23 0.18 0.00 0.52 0.00 0.00 34.95 36.03 1ab9 s ARG 145 CO 0.85 -0.08 1.22 0.98 0.02 0.00 0.00 175.30 178.29