#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 n THR 2 N 0.00 -0.25 -4.41 0.00 -2.24 -1.26 -5.13 114.28 101.00 1ba9 n THR 2 Ca 0.00 -2.43 -0.30 0.00 -2.27 0.00 0.00 64.05 59.05 1ba9 n THR 2 Cb 0.00 0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.36 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ba9 s LYS 3 N -0.02 1.73 0.58 -0.78 0.00 -1.26 -4.19 119.74 115.80 1ba9 s LYS 3 Ca 0.33 -1.19 -0.07 0.00 0.00 0.00 0.00 55.97 55.04 1ba9 s LYS 3 Cb 0.21 -2.07 -0.01 0.00 0.00 0.00 0.00 37.83 35.97 1ba9 s LYS 3 CO -0.19 0.48 0.90 0.00 0.00 0.00 0.00 175.35 176.54 1ba9 s ALA 4 N -1.07 3.27 0.08 0.59 0.00 0.29 -1.34 121.76 123.58 1ba9 s ALA 4 Ca 0.16 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1ba9 s ALA 4 Cb -0.10 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1ba9 s ALA 4 CO 0.08 -0.72 -0.18 0.54 0.00 0.00 0.00 175.76 175.48 1ba9 s VAL 5 N -2.98 1.48 -0.18 0.00 0.11 0.70 -1.05 120.40 118.47 1ba9 s VAL 5 Ca 0.53 -1.39 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1ba9 s VAL 5 Cb -0.11 -1.35 0.05 0.00 -1.53 0.00 0.00 36.38 33.44 1ba9 s VAL 5 CO 0.46 -0.08 -0.00 0.00 -3.33 0.00 0.00 175.10 172.15 1ba9 s ALA 6 N -1.14 1.25 -0.64 1.54 0.00 0.13 -1.30 121.76 121.60 1ba9 s ALA 6 Ca 0.04 -0.79 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 1ba9 s ALA 6 Cb -0.10 -1.17 0.05 0.00 0.00 0.00 0.00 23.12 21.90 1ba9 s ALA 6 CO 0.03 -1.02 1.05 0.14 0.00 0.00 0.00 175.76 175.97 1ba9 s VAL 7 N 1.74 4.18 0.46 0.00 -7.23 -1.26 -0.59 120.40 117.70 1ba9 s VAL 7 Ca -0.01 0.12 -0.24 0.00 -1.81 0.00 0.00 61.98 60.04 1ba9 s VAL 7 Cb -0.16 -4.70 -0.07 0.00 0.56 0.00 0.00 36.38 32.00 1ba9 s VAL 7 CO -0.07 -1.44 1.25 -0.76 -0.31 0.00 0.00 175.10 173.77 1ba9 s LEU 8 N 4.49 4.04 -0.08 1.32 1.02 0.73 -4.35 118.68 125.85 1ba9 s LEU 8 Ca 0.29 2.52 -0.12 0.00 0.02 0.00 0.00 54.13 56.85 1ba9 s LEU 8 Cb -0.13 -4.14 0.03 0.00 0.02 0.00 0.00 46.19 41.97 1ba9 s LEU 8 CO 0.15 -1.04 0.30 -1.59 0.02 0.00 0.00 176.35 174.19 1ba9 s LYS 9 N -2.59 0.45 0.00 1.70 -2.85 -0.26 -1.72 119.74 114.47 1ba9 s LYS 9 Ca 0.63 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 1ba9 s LYS 9 Cb -0.34 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.64 1ba9 s LYS 9 CO 0.42 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.20 1ba9 n GLY 10 N 2.39 5.32 0.29 0.59 0.00 -0.95 -0.58 105.19 112.26 1ba9 n GLY 10 Ca -0.16 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 1ba9 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 11 N 0.00 0.94 -3.19 1.61 1.82 -1.90 -3.45 116.42 112.25 1ba9 h ASP 11 Ca 0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1ba9 h ASP 11 Cb 0.00 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.76 1ba9 h ASP 11 CO 0.00 0.93 0.00 0.61 -1.61 0.00 0.00 179.24 179.17 1ba9 n GLY 12 N -0.65 2.22 0.22 -0.78 0.00 -1.26 -4.98 105.19 99.96 1ba9 n GLY 12 Ca 0.04 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1ba9 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 13 N -0.58 0.99 -1.61 1.61 -0.04 -1.26 -4.73 135.00 129.37 1ba9 n PRO 13 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1ba9 n PRO 13 Cb 0.00 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba9 s VAL 14 N -1.56 3.04 0.25 0.52 1.01 -1.25 -4.53 120.40 117.87 1ba9 s VAL 14 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1ba9 s VAL 14 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1ba9 s VAL 14 CO 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 175.10 175.05 1ba9 s GLN 15 N 7.83 2.43 -0.22 2.72 -2.07 -0.30 -2.23 119.66 127.82 1ba9 s GLN 15 Ca 0.95 -1.30 -0.07 0.00 -1.82 0.00 0.00 55.36 53.12 1ba9 s GLN 15 Cb -0.19 -2.27 0.10 0.00 -1.09 0.00 0.00 33.01 29.56 1ba9 s GLN 15 CO 0.27 0.39 0.46 0.20 -1.32 0.00 0.00 175.29 175.28 1ba9 s GLY 16 N -3.59 -0.43 -1.14 2.60 0.00 -0.70 0.28 107.32 104.34 1ba9 s GLY 16 Ca 0.31 1.62 -0.16 0.00 0.00 0.00 0.00 44.72 46.49 1ba9 s GLY 16 CO 0.21 2.53 1.39 -0.42 0.00 0.00 0.00 173.10 176.81 1ba9 s ILE 17 N 2.66 4.81 0.51 0.90 1.09 -0.69 -0.19 121.20 130.30 1ba9 s ILE 17 Ca -0.02 -2.22 -0.20 0.00 -1.10 0.00 0.00 60.65 57.12 1ba9 s ILE 17 Cb -0.12 -4.92 -0.07 0.00 -1.06 0.00 0.00 42.46 36.29 1ba9 s ILE 17 CO -0.14 -1.65 1.08 -0.63 -0.10 0.00 0.00 174.94 173.50 1ba9 s ILE 18 N 2.28 3.49 -0.08 2.92 -1.09 0.24 -3.08 121.20 125.88 1ba9 s ILE 18 Ca 0.42 0.93 -0.05 0.00 -2.23 0.00 0.00 60.65 59.72 1ba9 s ILE 18 Cb -0.02 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.51 1ba9 s ILE 18 CO -0.02 -0.20 0.19 0.20 -1.23 0.00 0.00 174.94 173.88 1ba9 s ASN 19 N -1.88 -0.18 -0.35 3.58 0.01 0.44 -0.70 114.94 115.87 1ba9 s ASN 19 Ca 0.70 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 53.25 1ba9 s ASN 19 Cb -0.20 0.32 0.09 0.00 0.41 0.00 0.00 41.25 41.88 1ba9 s ASN 19 CO 0.23 -0.12 0.07 -0.36 -1.51 0.00 0.00 177.10 175.42 1ba9 s PHE 20 N 0.78 3.62 0.38 2.20 0.08 -0.22 -0.50 117.98 124.33 1ba9 s PHE 20 Ca -0.06 -2.66 0.07 0.00 0.12 0.00 0.00 56.93 54.40 1ba9 s PHE 20 Cb -0.07 -2.83 -0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1ba9 s PHE 20 CO -0.04 -0.94 0.48 -2.00 -0.10 0.00 0.00 175.22 172.62 1ba9 s GLU 21 N 1.02 2.88 0.00 0.44 -6.30 0.01 -0.55 118.70 116.21 1ba9 s GLU 21 Ca 0.07 -1.20 0.00 0.00 -2.50 0.00 0.00 54.97 51.33 1ba9 s GLU 21 Cb -0.20 -2.70 0.00 0.00 0.00 0.00 0.00 34.13 31.23 1ba9 s GLU 21 CO -0.06 -0.10 0.00 0.94 0.02 0.00 0.00 175.26 176.06 1ba9 n GLN 22 N -1.68 0.00 0.00 4.30 7.27 -1.26 -0.39 117.38 125.62 1ba9 n GLN 22 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1ba9 n GLN 22 Cb 0.59 -0.11 0.00 0.00 2.41 0.00 0.00 30.24 33.13 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -1.88 0.00 0.18 3.69 4.81 -1.26 -4.49 118.16 119.21 1ba9 n LYS 23 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1ba9 n LYS 23 Cb 0.00 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.41 1ba9 n LYS 23 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1ba9 h GLU 24 N 0.00 0.00 0.00 1.64 5.08 -1.93 -3.48 114.58 115.89 1ba9 h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ba9 h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ba9 h GLU 24 CO 0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 1ba9 n SER 25 N -2.73 0.00 -1.42 1.42 2.88 -1.26 -4.25 113.62 108.26 1ba9 n SER 25 Ca 0.04 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1ba9 n SER 25 Cb 0.43 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.99 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ba9 n ASN 26 N 1.48 2.22 -0.93 -3.46 3.02 -1.26 -4.69 115.26 111.64 1ba9 n ASN 26 Ca 0.00 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 1ba9 n ASN 26 Cb 0.00 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ba9 n GLY 27 N -0.57 5.37 3.74 7.41 0.00 -1.26 -5.10 105.19 114.78 1ba9 n GLY 27 Ca 0.20 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1ba9 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 28 N -0.19 4.29 0.04 1.61 0.04 -1.26 -4.90 135.00 134.63 1ba9 s PRO 28 Ca 0.00 2.23 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 1ba9 s PRO 28 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1ba9 s PRO 28 CO 0.00 -0.40 0.67 0.08 0.04 0.00 0.00 177.00 177.39 1ba9 s VAL 29 N 0.21 4.77 -0.26 -0.36 1.01 0.19 -4.56 120.40 121.40 1ba9 s VAL 29 Ca 0.60 1.43 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 1ba9 s VAL 29 Cb -0.40 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1ba9 s VAL 29 CO 0.40 0.42 0.21 -0.54 0.00 0.00 0.00 175.10 175.59 1ba9 s LYS 30 N -0.33 4.00 -0.30 2.72 -0.14 0.47 -0.76 119.74 125.42 1ba9 s LYS 30 Ca 0.34 -0.24 -0.13 0.00 -1.36 0.00 0.00 55.97 54.58 1ba9 s LYS 30 Cb -0.20 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.30 1ba9 s LYS 30 CO 0.20 -0.11 0.26 0.08 -0.76 0.00 0.00 175.35 175.02 1ba9 s VAL 31 N 1.56 5.26 0.26 3.17 1.01 0.77 -0.81 120.40 131.62 1ba9 s VAL 31 Ca 0.09 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.33 1ba9 s VAL 31 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1ba9 s VAL 31 CO 0.09 0.13 -0.19 0.26 0.00 0.00 0.00 175.10 175.38 1ba9 s TRP 32 N 1.85 2.17 0.23 5.22 0.51 0.35 -0.61 118.94 128.66 1ba9 s TRP 32 Ca 0.09 -0.38 -0.22 0.00 -2.12 0.00 0.00 56.10 53.48 1ba9 s TRP 32 Cb -0.16 -0.96 0.06 0.00 -0.81 0.00 0.00 33.47 31.60 1ba9 s TRP 32 CO 0.11 0.63 0.94 0.20 -0.51 0.00 0.00 176.95 178.32 1ba9 s GLY 33 N -3.40 0.05 -0.34 0.98 0.00 -1.14 -0.42 107.32 103.04 1ba9 s GLY 33 Ca 0.28 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1ba9 s GLY 33 CO 0.13 0.90 0.69 -1.35 0.00 0.00 0.00 173.10 173.47 1ba9 s SER 34 N -3.15 -1.36 0.89 1.64 1.04 -1.18 -0.53 113.70 111.05 1ba9 s SER 34 Ca 0.17 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.22 1ba9 s SER 34 Cb -0.03 1.78 0.13 0.00 0.10 0.00 0.00 66.02 68.00 1ba9 s SER 34 CO 0.06 -0.20 1.10 -0.51 0.98 0.00 0.00 173.24 174.67 1ba9 s ILE 35 N 2.34 2.65 -0.30 -1.02 1.10 -0.34 -1.70 121.20 123.94 1ba9 s ILE 35 Ca 0.15 0.21 0.02 0.00 -0.51 0.00 0.00 60.65 60.52 1ba9 s ILE 35 Cb -0.05 -2.53 0.16 0.00 0.15 0.00 0.00 42.46 40.19 1ba9 s ILE 35 CO -0.17 -0.28 0.39 -0.54 -2.11 0.00 0.00 174.94 172.24 1ba9 s LYS 36 N -4.80 0.43 0.00 3.50 1.02 0.14 -3.60 119.74 116.44 1ba9 s LYS 36 Ca 0.64 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.58 1ba9 s LYS 36 Cb -0.20 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1ba9 s LYS 36 CO 0.58 -1.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1ba9 n GLY 37 N 5.19 0.20 0.08 -3.33 0.00 -0.46 -1.15 105.19 105.73 1ba9 n GLY 37 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba9 n LEU 38 N 0.00 0.00 -4.42 0.99 7.99 -1.01 -4.71 117.00 115.84 1ba9 n LEU 38 Ca 0.00 -0.03 -0.21 0.00 -0.01 0.00 0.00 56.01 55.76 1ba9 n LEU 38 Cb 0.00 -0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.18 1ba9 n LEU 38 CO 0.00 -0.92 -0.32 0.28 -1.51 0.00 0.00 177.39 174.92 1ba9 s THR 39 N -1.05 1.40 0.81 -5.08 -1.32 -1.26 -4.14 115.64 104.99 1ba9 s THR 39 Ca 0.02 -2.06 -0.14 0.00 -1.21 0.00 0.00 61.69 58.29 1ba9 s THR 39 Cb -0.00 -2.56 0.05 0.00 -1.51 0.00 0.00 72.50 68.47 1ba9 s THR 39 CO 0.01 -0.20 0.94 1.21 -2.21 0.00 0.00 174.62 174.37 1ba9 n GLU 40 N -0.60 0.16 0.00 7.08 2.13 -1.12 -4.67 120.64 123.62 1ba9 n GLU 40 Ca -0.04 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1ba9 n GLU 40 Cb 0.65 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.14 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ba9 n GLY 41 N 0.94 0.07 3.11 8.31 0.00 -1.12 -4.90 105.19 111.61 1ba9 n GLY 41 Ca 0.12 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1ba9 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ba9 s LEU 42 N 0.00 2.01 -0.08 0.99 2.34 -1.26 -0.39 118.68 122.29 1ba9 s LEU 42 Ca 0.00 -0.69 -0.04 0.00 0.06 0.00 0.00 54.13 53.46 1ba9 s LEU 42 Cb 0.00 0.48 0.04 0.00 -0.56 0.00 0.00 46.19 46.15 1ba9 s LEU 42 CO 0.00 -0.54 0.19 -1.00 -1.06 0.00 0.00 176.35 173.93 1ba9 s HIS 43 N -3.06 -0.23 0.68 3.48 3.76 0.32 -4.06 115.29 116.17 1ba9 s HIS 43 Ca -0.01 0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 1ba9 s HIS 43 Cb 0.02 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.71 1ba9 s HIS 43 CO -0.07 -0.18 1.18 0.20 -0.85 0.00 0.00 174.74 175.02 1ba9 s GLY 44 N 1.07 2.39 -0.24 -2.22 0.00 -0.43 -0.59 107.32 107.31 1ba9 s GLY 44 Ca -0.08 0.83 -0.09 0.00 0.00 0.00 0.00 44.72 45.38 1ba9 s GLY 44 CO -0.06 1.22 0.52 -1.36 0.00 0.00 0.00 173.10 173.41 1ba9 s PHE 45 N -1.98 -0.99 0.15 1.90 0.08 0.77 -0.08 117.98 117.82 1ba9 s PHE 45 Ca 0.73 1.83 -0.11 0.00 0.12 0.00 0.00 56.93 59.50 1ba9 s PHE 45 Cb -0.27 0.50 0.01 0.00 -0.57 0.00 0.00 43.02 42.68 1ba9 s PHE 45 CO 0.41 -0.54 0.32 -1.01 -0.10 0.00 0.00 175.22 174.31 1ba9 s HIS 46 N 2.57 0.18 -0.52 0.36 3.76 -0.81 -2.75 115.29 118.08 1ba9 s HIS 46 Ca -0.04 -0.54 -0.27 0.00 -0.15 0.00 0.00 55.06 54.06 1ba9 s HIS 46 Cb -0.11 0.07 0.03 0.00 1.11 0.00 0.00 32.58 33.67 1ba9 s HIS 46 CO -0.15 -0.72 1.04 0.08 -0.85 0.00 0.00 174.74 174.14 1ba9 s VAL 47 N -3.91 4.27 0.38 -0.90 1.01 -0.19 -1.38 120.40 119.69 1ba9 s VAL 47 Ca 0.11 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 1ba9 s VAL 47 Cb 0.03 -4.57 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 1ba9 s VAL 47 CO -0.04 -1.08 0.89 -1.00 0.00 0.00 0.00 175.10 173.87 1ba9 s HIS 48 N 4.27 3.38 -1.16 5.22 3.76 0.22 -0.77 115.29 130.21 1ba9 s HIS 48 Ca 0.39 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.72 1ba9 s HIS 48 Cb -0.09 -2.77 -0.07 0.00 1.11 0.00 0.00 32.58 30.76 1ba9 s HIS 48 CO 0.26 -0.01 2.33 -1.91 -0.85 0.00 0.00 174.74 174.55 1ba9 n GLU 49 N -0.39 2.53 -4.43 1.40 2.13 -0.13 -3.51 120.64 118.24 1ba9 n GLU 49 Ca 0.05 -1.88 -0.21 0.00 0.66 0.00 0.00 57.16 55.78 1ba9 n GLU 49 Cb 0.53 -2.74 -0.09 0.00 0.27 0.00 0.00 31.44 29.41 1ba9 n GLU 49 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ba9 s GLU 50 N 3.32 1.69 -0.29 5.31 0.41 -1.26 -4.09 118.70 123.78 1ba9 s GLU 50 Ca 0.52 -1.98 0.02 0.00 -0.41 0.00 0.00 54.97 53.12 1ba9 s GLU 50 Cb 0.14 -0.54 0.20 0.00 -1.78 0.00 0.00 34.13 32.15 1ba9 s GLU 50 CO -0.02 -0.35 0.68 -2.00 -0.49 0.00 0.00 175.26 173.07 1ba9 s GLU 51 N -3.84 0.48 -0.47 1.61 2.12 -1.26 -2.54 118.70 114.80 1ba9 s GLU 51 Ca 0.32 0.55 -0.06 0.00 0.36 0.00 0.00 54.97 56.15 1ba9 s GLU 51 Cb 0.06 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.72 1ba9 s GLU 51 CO 0.15 -0.83 0.31 -3.47 -0.54 0.00 0.00 175.26 170.88 1ba9 n ASP 52 N 5.38 -2.24 0.06 -1.70 2.03 -1.26 -4.82 116.55 113.99 1ba9 n ASP 52 Ca 0.04 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1ba9 n ASP 52 Cb 0.54 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ba9 n ASN 53 N -0.90 -0.02 -3.48 1.67 5.15 -1.26 -4.90 115.26 111.53 1ba9 n ASN 53 Ca -0.13 0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 53.71 1ba9 n ASN 53 Cb 0.32 0.16 -0.05 0.00 -0.53 0.00 0.00 39.78 39.68 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ba9 n THR 54 N -2.99 1.79 -0.23 -0.44 5.66 -1.26 -4.68 114.28 112.12 1ba9 n THR 54 Ca 0.00 -1.39 0.02 0.00 -3.05 0.00 0.00 64.05 59.63 1ba9 n THR 54 Cb 0.03 -2.22 0.14 0.00 -1.55 0.00 0.00 70.33 66.74 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 h ALA 55 N 7.63 0.91 0.00 1.79 0.00 -2.00 0.23 119.26 127.82 1ba9 h ALA 55 Ca 0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1ba9 h ALA 55 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ba9 h ALA 55 CO 1.80 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 181.26 1ba9 n GLY 56 N -1.31 -1.07 4.37 0.00 0.00 -1.26 -4.92 105.19 101.00 1ba9 n GLY 56 Ca 0.11 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 h THR 58 N -1.44 0.00 0.00 0.00 1.03 -1.91 -3.45 112.91 107.13 1ba9 h THR 58 Ca -0.63 -0.97 0.00 0.00 -0.01 0.00 0.00 66.41 64.80 1ba9 h THR 58 Cb 1.39 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1ba9 h THR 58 CO 0.78 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.75 1ba9 n SER 59 N -4.68 0.00 0.00 0.00 3.41 -1.26 -4.97 113.62 106.12 1ba9 n SER 59 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ba9 n SER 59 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ba9 n ALA 60 N 0.00 0.00 -1.67 7.33 0.00 -1.26 -4.88 120.51 120.03 1ba9 n ALA 60 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ba9 n ALA 60 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 61 N 5.00 1.82 0.00 0.00 0.00 -1.26 -5.00 105.19 105.75 1ba9 n GLY 61 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1ba9 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 62 N 7.09 0.48 -1.73 1.61 -0.04 -1.26 -4.08 135.00 137.08 1ba9 n PRO 62 Ca 0.20 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1ba9 n PRO 62 Cb 0.40 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.84 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -1.03 2.69 -1.60 0.54 8.25 -1.26 -0.96 115.22 121.85 1ba9 n HIS 63 Ca 0.00 0.34 -0.38 0.00 -0.26 0.00 0.00 57.72 57.42 1ba9 n HIS 63 Cb 0.00 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.53 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N -0.26 1.13 -0.54 4.41 2.19 0.05 -4.75 117.98 120.21 1ba9 s PHE 64 Ca 0.63 1.28 0.05 0.00 0.33 0.00 0.00 56.93 59.21 1ba9 s PHE 64 Cb -0.53 -3.69 0.17 0.00 -1.31 0.00 0.00 43.02 37.66 1ba9 s PHE 64 CO 0.52 -2.91 0.42 -1.71 1.83 0.00 0.00 175.22 173.37 1ba9 n ASN 65 N 14.69 1.06 0.00 6.13 4.05 -1.26 -1.22 115.26 138.72 1ba9 n ASN 65 Ca 0.34 -2.75 -0.09 0.00 0.45 0.00 0.00 54.58 52.53 1ba9 n ASN 65 Cb 0.52 -0.64 -0.14 0.00 1.23 0.00 0.00 39.78 40.76 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ba9 h PRO 66 N 5.47 0.02 0.00 1.20 0.13 -1.96 -3.42 132.00 133.44 1ba9 h PRO 66 Ca 0.22 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1ba9 h PRO 66 Cb 0.84 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 1ba9 h PRO 66 CO 0.53 0.67 -0.13 1.47 -0.23 0.00 0.00 178.00 180.30 1ba9 n LEU 67 N -3.15 -0.51 0.00 1.56 -0.00 -1.26 -5.11 117.00 108.53 1ba9 n LEU 67 Ca -0.14 -1.14 0.00 0.00 -0.00 0.00 0.00 56.01 54.73 1ba9 n LEU 67 Cb 1.03 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 44.56 1ba9 n LEU 67 CO 0.46 1.04 0.00 -0.24 -0.00 0.00 0.00 177.39 178.64 1ba9 n SER 68 N -0.14 0.00 -4.02 1.45 2.88 -1.26 -5.08 113.62 107.45 1ba9 n SER 68 Ca -0.12 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.33 1ba9 n SER 68 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.88 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ba9 s ARG 69 N 3.26 0.88 1.10 -1.46 0.52 -1.25 -5.04 118.95 116.96 1ba9 s ARG 69 Ca 0.00 -1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 53.86 1ba9 s ARG 69 Cb 0.00 0.29 0.20 0.00 0.52 0.00 0.00 34.95 35.96 1ba9 s ARG 69 CO 0.00 -0.26 0.76 1.63 0.02 0.00 0.00 175.30 177.45 1ba9 n LYS 70 N -0.06 -1.74 -1.70 3.54 5.02 -1.26 -3.33 118.16 118.63 1ba9 n LYS 70 Ca -0.10 -0.47 -0.39 0.00 -2.02 0.00 0.00 58.31 55.32 1ba9 n LYS 70 Cb 0.63 -2.08 0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1ba9 n LYS 70 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1ba9 n HIS 71 N -4.62 1.89 -3.75 2.13 -0.00 0.11 -2.33 115.22 108.66 1ba9 n HIS 71 Ca 0.04 0.46 0.00 0.00 -0.00 0.00 0.00 57.72 58.23 1ba9 n HIS 71 Cb 0.55 -2.32 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 1ba9 n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ba9 n GLY 72 N 0.90 0.77 3.89 1.57 0.00 -1.25 -3.77 105.19 107.29 1ba9 n GLY 72 Ca 0.10 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1ba9 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ba9 s GLY 73 N -2.63 2.06 0.50 -0.02 0.00 -0.87 -4.38 107.32 101.98 1ba9 s GLY 73 Ca 0.04 -0.45 0.16 0.00 0.00 0.00 0.00 44.72 44.47 1ba9 s GLY 73 CO 0.00 -0.34 2.10 -0.56 0.00 0.00 0.00 173.10 174.30 1ba9 h PRO 74 N 2.13 0.11 -0.00 2.90 0.13 -1.83 -0.04 132.00 135.40 1ba9 h PRO 74 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ba9 h PRO 74 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ba9 h PRO 74 CO 0.68 0.08 -0.08 0.36 -0.23 0.00 0.00 178.00 178.81 1ba9 n LYS 75 N -4.50 0.24 -4.06 0.86 -0.00 -1.26 -4.91 118.16 104.54 1ba9 n LYS 75 Ca 0.01 -0.04 -0.22 0.00 -0.00 0.00 0.00 58.31 58.06 1ba9 n LYS 75 Cb 0.20 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.68 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ba9 s ASP 76 N -2.79 5.15 0.22 -5.58 1.01 -0.03 -5.03 116.67 109.62 1ba9 s ASP 76 Ca 0.20 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.96 1ba9 s ASP 76 Cb 0.19 -1.08 0.20 0.00 1.01 0.00 0.00 42.92 43.25 1ba9 s ASP 76 CO 0.52 -0.16 1.61 -0.08 0.21 0.00 0.00 175.17 177.27 1ba9 h GLU 77 N 1.50 0.68 -6.85 8.23 4.81 -1.91 -3.43 114.58 117.61 1ba9 h GLU 77 Ca -0.46 -0.30 -0.49 0.00 -0.13 0.00 0.00 59.36 57.97 1ba9 h GLU 77 Cb 1.25 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.62 1ba9 h GLU 77 CO 0.60 0.90 0.43 -1.21 -0.73 0.00 0.00 179.01 179.00 1ba9 s GLU 78 N -4.44 4.53 0.00 1.92 8.01 -1.26 -5.00 118.70 122.46 1ba9 s GLU 78 Ca -0.08 1.64 0.00 0.00 0.01 0.00 0.00 54.97 56.54 1ba9 s GLU 78 Cb 0.13 -2.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.96 1ba9 s GLU 78 CO 0.83 0.16 0.00 2.89 0.01 0.00 0.00 175.26 179.15 1ba9 n ARG 79 N 0.83 0.00 -0.82 1.61 1.85 -0.98 -2.05 116.66 117.10 1ba9 n ARG 79 Ca 0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.55 1ba9 n ARG 79 Cb 0.47 0.00 0.27 0.00 -1.05 0.00 0.00 32.46 32.14 1ba9 n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ba9 s HIS 80 N -0.37 -0.19 0.32 2.89 3.76 -1.21 -3.83 115.29 116.67 1ba9 s HIS 80 Ca 0.00 0.44 0.14 0.00 -0.15 0.00 0.00 55.06 55.49 1ba9 s HIS 80 Cb 0.00 -3.28 0.65 0.00 1.11 0.00 0.00 32.58 31.06 1ba9 s HIS 80 CO 0.00 -4.43 1.77 -0.24 -0.85 0.00 0.00 174.74 170.99 1ba9 h VAL 81 N -2.99 1.24 -2.17 -0.90 3.04 -1.45 -3.16 116.25 109.85 1ba9 h VAL 81 Ca -0.42 -1.51 -0.55 0.00 -1.01 0.00 0.00 66.70 63.21 1ba9 h VAL 81 Cb 1.30 1.83 -0.41 0.00 -2.01 0.00 0.00 31.29 32.00 1ba9 h VAL 81 CO 0.28 0.42 -0.85 0.61 -1.01 0.00 0.00 177.57 177.03 1ba9 n GLY 82 N -0.19 4.73 3.16 3.17 0.00 -1.25 -4.80 105.19 110.01 1ba9 n GLY 82 Ca -0.01 -2.36 -0.39 0.00 0.00 0.00 0.00 46.02 43.26 1ba9 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ba9 s ASP 83 N -2.91 5.63 -0.51 1.61 1.01 -1.20 -1.02 116.67 119.29 1ba9 s ASP 83 Ca 0.44 -2.82 -0.02 0.00 0.71 0.00 0.00 52.55 50.87 1ba9 s ASP 83 Cb 0.28 -1.95 0.26 0.00 1.01 0.00 0.00 42.92 42.53 1ba9 s ASP 83 CO -0.11 -0.42 2.20 0.18 0.21 0.00 0.00 175.17 177.23 1ba9 n LEU 84 N 3.60 6.94 0.00 1.23 7.99 -1.11 -4.14 117.00 131.51 1ba9 n LEU 84 Ca 0.09 -3.92 0.00 0.00 -0.01 0.00 0.00 56.01 52.17 1ba9 n LEU 84 Cb 0.40 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 1ba9 n LEU 84 CO 0.34 1.47 0.00 0.61 -1.51 0.00 0.00 177.39 178.30 1ba9 n GLY 85 N 0.02 1.70 3.47 -0.72 0.00 -1.25 -4.65 105.19 103.75 1ba9 n GLY 85 Ca 0.46 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N -2.96 3.15 0.36 1.61 2.20 -1.26 -0.16 114.94 117.88 1ba9 s ASN 86 Ca 0.00 -1.17 0.09 0.00 -0.94 0.00 0.00 52.86 50.84 1ba9 s ASN 86 Cb 0.00 -0.24 -0.06 0.00 -2.00 0.00 0.00 41.25 38.95 1ba9 s ASN 86 CO 0.00 -0.25 -0.02 0.68 -2.94 0.00 0.00 177.10 174.57 1ba9 s VAL 87 N -2.83 2.29 -0.23 3.54 -7.23 0.25 -4.90 120.40 111.29 1ba9 s VAL 87 Ca 0.30 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1ba9 s VAL 87 Cb 0.02 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1ba9 s VAL 87 CO 0.13 -0.14 0.01 -0.89 -0.31 0.00 0.00 175.10 173.91 1ba9 s THR 88 N -2.61 3.87 0.30 5.32 2.01 -1.26 -0.52 115.64 122.75 1ba9 s THR 88 Ca 0.34 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 1ba9 s THR 88 Cb 0.04 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.68 1ba9 s THR 88 CO 0.18 0.39 0.79 0.00 -0.69 0.00 0.00 174.62 175.29 1ba9 s ALA 89 N 1.42 3.30 0.78 7.40 0.00 0.47 -4.12 121.76 131.01 1ba9 s ALA 89 Ca 0.05 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1ba9 s ALA 89 Cb -0.15 -2.89 0.06 0.00 0.00 0.00 0.00 23.12 20.15 1ba9 s ALA 89 CO 0.01 0.28 1.13 -0.51 0.00 0.00 0.00 175.76 176.67 1ba9 s ASP 90 N -1.97 4.74 0.59 0.00 1.01 0.76 -2.77 116.67 119.03 1ba9 s ASP 90 Ca 0.51 1.05 0.29 0.00 0.71 0.00 0.00 52.55 55.11 1ba9 s ASP 90 Cb -0.13 -1.71 1.60 0.00 1.01 0.00 0.00 42.92 43.68 1ba9 s ASP 90 CO 0.19 -1.78 2.02 0.07 0.21 0.00 0.00 175.17 175.87 1ba9 h LYS 91 N -0.97 0.00 -0.01 8.23 2.10 -1.93 0.10 116.57 124.09 1ba9 h LYS 91 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1ba9 h LYS 91 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1ba9 h LYS 91 CO 0.63 0.00 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.68 1ba9 n ASP 92 N -3.71 0.94 -0.05 7.07 9.92 -1.26 -4.72 116.55 124.75 1ba9 n ASP 92 Ca 0.04 -0.95 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1ba9 n ASP 92 Cb 0.45 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ba9 n GLY 93 N 1.27 0.63 3.18 0.44 0.00 0.33 -4.82 105.19 106.22 1ba9 n GLY 93 Ca 0.15 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.09 2.35 -0.45 1.61 1.01 -1.25 -1.35 120.40 120.22 1ba9 s VAL 94 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1ba9 s VAL 94 Cb 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.50 1ba9 s VAL 94 CO 0.00 0.52 0.31 0.00 0.00 0.00 0.00 175.10 175.93 1ba9 s ALA 95 N 1.13 3.33 -0.14 5.51 0.00 -1.24 -0.17 121.76 130.19 1ba9 s ALA 95 Ca 0.01 -2.47 -0.25 0.00 0.00 0.00 0.00 51.96 49.26 1ba9 s ALA 95 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1ba9 s ALA 95 CO -0.07 -1.84 0.79 -0.51 0.00 0.00 0.00 175.76 174.13 1ba9 s ASP 96 N 2.44 6.95 0.16 0.00 1.11 -1.26 -1.19 116.67 124.88 1ba9 s ASP 96 Ca 0.06 1.16 0.06 0.00 0.18 0.00 0.00 52.55 54.00 1ba9 s ASP 96 Cb -0.25 -2.44 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 1ba9 s ASP 96 CO -0.01 -0.32 0.09 -0.69 1.18 0.00 0.00 175.17 175.43 1ba9 s VAL 97 N 1.79 4.27 -0.36 -1.27 1.01 0.31 -4.78 120.40 121.36 1ba9 s VAL 97 Ca 0.38 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ba9 s VAL 97 Cb -0.17 -3.16 0.18 0.00 0.00 0.00 0.00 36.38 33.24 1ba9 s VAL 97 CO 0.14 -0.09 0.83 -0.55 0.00 0.00 0.00 175.10 175.43 1ba9 s SER 98 N -3.00 -0.97 0.32 3.32 0.15 -1.24 -2.88 113.70 109.40 1ba9 s SER 98 Ca 0.30 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.59 1ba9 s SER 98 Cb -0.10 1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1ba9 s SER 98 CO 0.22 -0.12 0.18 -0.51 1.20 0.00 0.00 173.24 174.21 1ba9 s ILE 99 N 2.04 0.26 0.04 6.45 2.07 0.22 -5.01 121.20 127.28 1ba9 s ILE 99 Ca 0.16 -2.00 -0.04 0.00 -1.41 0.00 0.00 60.65 57.36 1ba9 s ILE 99 Cb -0.01 -2.48 -0.02 0.00 0.13 0.00 0.00 42.46 40.07 1ba9 s ILE 99 CO -0.13 0.00 0.05 -1.83 -1.91 0.00 0.00 174.94 171.12 1ba9 s GLU 100 N -3.73 0.57 -0.08 3.50 -1.05 -1.26 -0.16 118.70 116.49 1ba9 s GLU 100 Ca 0.35 -0.87 -0.09 0.00 -0.15 0.00 0.00 54.97 54.21 1ba9 s GLU 100 Cb 0.04 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1ba9 s GLU 100 CO 0.19 -0.13 0.24 -0.51 0.95 0.00 0.00 175.26 176.00 1ba9 s ASP 101 N -2.30 -0.23 0.00 0.83 1.11 0.06 -4.94 116.67 111.21 1ba9 s ASP 101 Ca -0.03 0.42 0.14 0.00 0.18 0.00 0.00 52.55 53.26 1ba9 s ASP 101 Cb 0.01 0.47 0.14 0.00 1.07 0.00 0.00 42.92 44.60 1ba9 s ASP 101 CO -0.06 -0.12 0.99 -1.20 1.18 0.00 0.00 175.17 175.96 1ba9 n SER 102 N 2.76 2.29 -0.01 0.27 7.64 -1.26 -0.64 113.62 124.66 1ba9 n SER 102 Ca -0.14 -1.63 -0.18 0.00 1.01 0.00 0.00 58.87 57.92 1ba9 n SER 102 Cb 0.58 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.61 1ba9 n SER 102 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ba9 h VAL 103 N 2.74 1.46 -4.50 0.44 3.04 -1.96 -3.46 116.25 114.01 1ba9 h VAL 103 Ca 0.00 -2.42 -0.47 0.00 -1.01 0.00 0.00 66.70 62.81 1ba9 h VAL 103 Cb 0.61 3.09 0.11 0.00 -2.01 0.00 0.00 31.29 33.09 1ba9 h VAL 103 CO 0.00 0.64 0.41 0.27 -1.01 0.00 0.00 177.57 177.88 1ba9 s ILE 104 N -2.36 2.01 0.22 3.17 -5.25 -1.26 -4.93 121.20 112.79 1ba9 s ILE 104 Ca -0.18 -0.01 -0.23 0.00 -0.99 0.00 0.00 60.65 59.25 1ba9 s ILE 104 Cb 0.01 -3.00 0.04 0.00 2.95 0.00 0.00 42.46 42.46 1ba9 s ILE 104 CO 0.75 0.00 0.80 -0.55 -1.79 0.00 0.00 174.94 174.15 1ba9 s SER 105 N -4.63 -0.25 0.00 4.36 0.15 -1.26 -4.73 113.70 107.34 1ba9 s SER 105 Ca 0.64 -0.49 0.16 0.00 0.70 0.00 0.00 55.95 56.96 1ba9 s SER 105 Cb -0.10 0.63 0.49 0.00 -1.71 0.00 0.00 66.02 65.33 1ba9 s SER 105 CO 0.50 -1.15 1.39 0.18 1.20 0.00 0.00 173.24 175.35 1ba9 n LEU 106 N -0.45 2.14 -4.11 3.45 4.32 -1.26 -0.50 117.00 120.58 1ba9 n LEU 106 Ca -0.06 -1.01 -0.13 0.00 -0.02 0.00 0.00 56.01 54.79 1ba9 n LEU 106 Cb 0.60 -0.22 -0.06 0.00 -1.62 0.00 0.00 43.42 42.12 1ba9 n LEU 106 CO 0.14 0.51 0.04 -0.94 -1.22 0.00 0.00 177.39 175.92 1ba9 s SER 107 N -1.20 0.58 0.90 -1.43 1.04 -1.26 -4.64 113.70 107.69 1ba9 s SER 107 Ca 0.30 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1ba9 s SER 107 Cb 0.16 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1ba9 s SER 107 CO 0.22 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1ba9 n GLY 108 N -0.46 0.32 0.29 7.32 0.00 -1.26 -2.80 105.19 108.60 1ba9 n GLY 108 Ca 0.01 -0.91 0.18 0.00 0.00 0.00 0.00 46.02 45.30 1ba9 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 109 N 0.00 0.00 1.42 1.61 3.58 -1.99 -3.06 116.42 117.98 1ba9 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ba9 h ASP 109 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ba9 h ASP 109 CO 0.00 0.02 -0.12 0.45 -2.88 0.00 0.00 179.24 176.71 1ba9 h HIS 110 N 0.00 0.00 0.00 0.28 3.86 -1.83 -3.47 115.15 113.98 1ba9 h HIS 110 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ba9 h HIS 110 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1ba9 h HIS 110 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1ba9 n SER 111 N -2.34 0.00 0.24 2.45 3.41 -0.95 -4.06 113.62 112.37 1ba9 n SER 111 Ca 0.05 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 1ba9 n SER 111 Cb 0.45 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.98 1ba9 n SER 111 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1ba9 h ILE 112 N 0.00 0.95 -2.21 -1.33 6.09 -1.06 -3.41 117.51 116.53 1ba9 h ILE 112 Ca 0.00 -0.59 -0.57 0.00 -1.37 0.00 0.00 64.86 62.34 1ba9 h ILE 112 Cb 0.00 1.33 0.02 0.00 0.47 0.00 0.00 36.82 38.64 1ba9 h ILE 112 CO 0.00 0.16 1.20 -0.38 -3.07 0.00 0.00 178.15 176.05 1ba9 n ILE 113 N -4.10 0.69 0.00 2.19 2.08 -1.26 -1.25 119.36 117.71 1ba9 n ILE 113 Ca -0.02 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1ba9 n ILE 113 Cb 0.24 -2.16 0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1ba9 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ba9 n GLY 114 N 4.55 2.00 3.71 7.39 0.00 -0.38 -5.03 105.19 117.44 1ba9 n GLY 114 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -0.74 0.03 -0.13 1.61 1.81 -0.38 -4.52 118.95 116.62 1ba9 s ARG 115 Ca 0.00 0.09 0.01 0.00 -1.72 0.00 0.00 55.73 54.11 1ba9 s ARG 115 Cb 0.00 -1.73 -0.00 0.00 -0.45 0.00 0.00 34.95 32.77 1ba9 s ARG 115 CO 0.00 -2.91 -0.18 0.99 -0.68 0.00 0.00 175.30 172.52 1ba9 s THR 116 N -3.21 2.52 -0.05 0.02 2.01 -1.05 -0.35 115.64 115.52 1ba9 s THR 116 Ca 0.68 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.78 1ba9 s THR 116 Cb -0.12 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1ba9 s THR 116 CO 0.55 0.53 0.21 -0.22 -0.69 0.00 0.00 174.62 175.01 1ba9 s LEU 117 N 0.61 4.39 -0.02 4.42 2.96 0.35 -0.61 118.68 130.77 1ba9 s LEU 117 Ca -0.10 0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1ba9 s LEU 117 Cb -0.16 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1ba9 s LEU 117 CO 0.03 0.33 0.06 -0.69 -1.32 0.00 0.00 176.35 174.76 1ba9 s VAL 118 N -1.17 0.01 0.13 1.68 1.01 -0.48 -1.05 120.40 120.53 1ba9 s VAL 118 Ca 0.22 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1ba9 s VAL 118 Cb -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1ba9 s VAL 118 CO 0.11 -0.04 0.22 0.54 0.00 0.00 0.00 175.10 175.93 1ba9 s VAL 119 N -0.10 5.06 0.16 2.92 0.11 -0.63 -1.93 120.40 126.01 1ba9 s VAL 119 Ca -0.01 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 58.39 1ba9 s VAL 119 Cb -0.01 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1ba9 s VAL 119 CO 0.00 -0.03 -0.13 -1.00 -3.33 0.00 0.00 175.10 170.61 1ba9 s HIS 120 N -1.67 2.59 0.07 1.54 3.76 0.88 -2.87 115.29 119.59 1ba9 s HIS 120 Ca 0.33 -0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.69 1ba9 s HIS 120 Cb -0.11 -1.30 -0.18 0.00 1.11 0.00 0.00 32.58 32.10 1ba9 s HIS 120 CO 0.27 0.48 1.64 1.49 -0.85 0.00 0.00 174.74 177.76 1ba9 h GLU 121 N 3.18 -0.73 0.00 1.40 4.81 -0.51 -3.27 114.58 119.46 1ba9 h GLU 121 Ca -0.48 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 1ba9 h GLU 121 Cb 1.19 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1ba9 h GLU 121 CO 0.52 -0.48 -0.01 1.63 -0.73 0.00 0.00 179.01 179.94 1ba9 n LYS 122 N -5.41 0.91 -2.84 1.92 4.76 0.44 -4.76 118.16 113.18 1ba9 n LYS 122 Ca -0.12 -0.42 -0.33 0.00 -2.87 0.00 0.00 58.31 54.57 1ba9 n LYS 122 Cb 0.31 -0.04 -0.06 0.00 -1.84 0.00 0.00 35.03 33.40 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ba9 s ALA 123 N -2.15 3.10 0.19 7.82 0.00 -1.26 -1.31 121.76 128.16 1ba9 s ALA 123 Ca 0.08 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 1ba9 s ALA 123 Cb -0.01 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1ba9 s ALA 123 CO 0.05 0.13 1.52 -0.51 0.00 0.00 0.00 175.76 176.95 1ba9 s ASP 124 N -2.32 6.61 0.00 0.00 1.01 -1.26 -4.00 116.67 116.71 1ba9 s ASP 124 Ca 0.60 2.63 0.19 0.00 0.71 0.00 0.00 52.55 56.68 1ba9 s ASP 124 Cb -0.09 -2.60 1.09 0.00 1.01 0.00 0.00 42.92 42.33 1ba9 s ASP 124 CO 0.16 -0.78 1.55 0.47 0.21 0.00 0.00 175.17 176.78 1ba9 n ASP 125 N 3.42 0.00 -4.33 0.27 9.92 0.55 -4.89 116.55 121.49 1ba9 n ASP 125 Ca 0.11 -0.43 -0.39 0.00 -0.53 0.00 0.00 54.79 53.56 1ba9 n ASP 125 Cb 0.39 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.74 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 126 N -1.08 -1.32 0.00 0.64 4.77 -1.26 -0.87 117.00 117.88 1ba9 n LEU 126 Ca 0.13 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1ba9 n LEU 126 Cb 0.09 -1.88 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1ba9 n LEU 126 CO 0.12 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1ba9 n GLY 127 N -1.24 0.24 0.05 -0.72 0.00 -1.24 -4.22 105.19 98.05 1ba9 n GLY 127 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba9 n LYS 128 N -1.33 0.08 0.02 1.61 4.76 -0.05 -2.76 118.16 120.48 1ba9 n LYS 128 Ca 0.00 0.26 0.05 0.00 -2.87 0.00 0.00 58.31 55.76 1ba9 n LYS 128 Cb 0.13 -1.63 0.24 0.00 -1.84 0.00 0.00 35.03 31.93 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ba9 n GLY 129 N 0.32 -0.87 3.45 0.72 0.00 -1.26 -4.89 105.19 102.66 1ba9 n GLY 129 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N -0.50 -0.38 3.62 -0.02 0.00 -1.11 -4.97 105.19 101.83 1ba9 n GLY 130 Ca 0.02 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ba9 s ASN 131 N -4.25 -0.75 0.03 1.61 2.47 -1.26 -5.04 114.94 107.76 1ba9 s ASN 131 Ca 0.06 1.16 -0.06 0.00 0.42 0.00 0.00 52.86 54.43 1ba9 s ASN 131 Cb -0.03 1.44 -0.01 0.00 -1.45 0.00 0.00 41.25 41.20 1ba9 s ASN 131 CO 0.73 -0.18 0.51 -0.62 -3.72 0.00 0.00 177.10 173.82 1ba9 n GLU 132 N 4.26 -0.09 -0.06 0.43 -0.58 -1.26 -0.12 120.64 123.21 1ba9 n GLU 132 Ca -0.17 0.50 -0.08 0.00 -0.42 0.00 0.00 57.16 56.99 1ba9 n GLU 132 Cb 0.57 -0.74 -0.02 0.00 -0.57 0.00 0.00 31.44 30.67 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1ba9 h GLN 133 N 0.00 -0.25 -0.45 3.49 -0.00 -1.98 0.90 115.11 116.81 1ba9 h GLN 133 Ca 0.03 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.75 1ba9 h GLN 133 Cb 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.58 1ba9 h GLN 133 CO -0.20 -0.17 0.18 0.66 0.00 0.00 0.00 178.83 179.31 1ba9 h SER 134 N -0.26 0.22 0.16 -0.69 4.64 -1.38 0.52 113.55 116.76 1ba9 h SER 134 Ca 0.14 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ba9 h SER 134 Cb 0.49 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ba9 h SER 134 CO -0.42 0.16 -0.01 0.41 -0.87 0.00 0.00 176.83 176.09 1ba9 n THR 135 N -4.98 0.00 -0.01 2.95 -1.04 0.82 -0.14 114.28 111.89 1ba9 n THR 135 Ca 0.04 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1ba9 n THR 135 Cb 0.16 -0.35 -0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -0.94 0.02 -0.06 -2.82 4.81 0.29 -0.71 118.16 118.75 1ba9 n LYS 136 Ca 0.20 0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.61 1ba9 n LYS 136 Cb 0.18 -0.72 -0.13 0.00 0.02 0.00 0.00 35.03 34.38 1ba9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ba9 n THR 137 N -2.85 0.84 -0.45 3.15 -2.24 0.18 -4.36 114.28 108.56 1ba9 n THR 137 Ca -0.02 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1ba9 n THR 137 Cb 0.52 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 1.88 0.77 2.77 3.38 0.00 0.80 -4.32 105.19 110.46 1ba9 n GLY 138 Ca -0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.19 -5.34 -0.28 1.61 2.85 -1.17 -0.33 115.26 112.79 1ba9 n ASN 139 Ca 0.00 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1ba9 n ASN 139 Cb 0.00 -2.89 0.00 0.00 1.24 0.00 0.00 39.78 38.13 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ba9 n ALA 140 N 1.01 2.45 -0.53 5.20 0.00 -1.26 -4.93 120.51 122.46 1ba9 n ALA 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ba9 n ALA 140 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 0.22 -0.92 3.55 0.00 0.00 -1.26 -0.42 105.19 106.36 1ba9 n GLY 141 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 142 N -4.00 1.30 -0.40 1.61 0.15 -1.26 -4.55 113.70 106.55 1ba9 s SER 142 Ca 0.00 1.22 -0.17 0.00 0.70 0.00 0.00 55.95 57.70 1ba9 s SER 142 Cb 0.00 -1.89 0.01 0.00 -1.71 0.00 0.00 66.02 62.44 1ba9 s SER 142 CO 0.00 -3.96 0.46 -0.13 1.20 0.00 0.00 173.24 170.81 1ba9 s ARG 143 N -4.79 3.26 0.28 5.44 3.00 -1.26 -0.45 118.95 124.43 1ba9 s ARG 143 Ca 0.68 -0.59 0.01 0.00 0.00 0.00 0.00 55.73 55.83 1ba9 s ARG 143 Cb -0.20 -3.92 0.55 0.00 0.00 0.00 0.00 34.95 31.38 1ba9 s ARG 143 CO 0.61 -0.79 1.82 -0.07 0.00 0.00 0.00 175.30 176.87 1ba9 h LEU 144 N 9.08 0.86 -7.11 2.53 -0.00 -1.80 -3.45 115.31 115.41 1ba9 h LEU 144 Ca -0.27 0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.62 1ba9 h LEU 144 Cb 1.12 -0.11 -0.15 0.00 -0.00 0.00 0.00 40.66 41.51 1ba9 h LEU 144 CO 0.79 0.44 0.12 0.00 -0.00 0.00 0.00 178.44 179.78 1ba9 s ALA 145 N -5.96 -1.47 0.01 1.53 0.00 -1.25 -3.89 121.76 110.72 1ba9 s ALA 145 Ca -0.12 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 1ba9 s ALA 145 Cb 0.22 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1ba9 s ALA 145 CO 0.80 -0.57 -0.01 0.00 0.00 0.00 0.00 175.76 175.98 1ba9 s GLY 147 N -0.41 -0.53 0.30 0.00 0.00 -0.21 -1.11 107.32 105.36 1ba9 s GLY 147 Ca -0.04 1.75 -0.16 0.00 0.00 0.00 0.00 44.72 46.26 1ba9 s GLY 147 CO -0.00 1.46 0.74 0.54 0.00 0.00 0.00 173.10 175.83 1ba9 s VAL 148 N -0.08 4.64 -0.25 1.40 0.11 -1.26 -0.50 120.40 124.47 1ba9 s VAL 148 Ca -0.03 1.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.94 1ba9 s VAL 148 Cb -0.04 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1ba9 s VAL 148 CO 0.03 -0.08 0.27 -0.63 -3.33 0.00 0.00 175.10 171.36 1ba9 s ILE 149 N -1.86 5.27 0.29 7.04 1.01 0.52 -4.01 121.20 129.47 1ba9 s ILE 149 Ca 0.51 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.60 1ba9 s ILE 149 Cb -0.12 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1ba9 s ILE 149 CO 0.18 0.26 0.22 0.61 0.00 0.00 0.00 174.94 176.22 1ba9 n GLY 150 N 4.45 3.12 3.77 6.18 0.00 -0.42 -1.25 105.19 121.04 1ba9 n GLY 150 Ca -0.12 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1ba9 n GLY 150 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ba9 n ILE 151 N -0.57 2.37 -1.26 -0.61 -0.00 -1.26 -0.21 119.36 117.82 1ba9 n ILE 151 Ca 0.05 -0.50 -0.37 0.00 -0.00 0.00 0.00 62.75 61.93 1ba9 n ILE 151 Cb 0.51 -1.91 -0.02 0.00 -0.00 0.00 0.00 39.64 38.22 1ba9 n ILE 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ba9 n ALA 152 N 0.12 5.46 -1.89 -1.39 0.00 -0.45 -4.36 120.51 118.00 1ba9 n ALA 152 Ca 0.03 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1ba9 n ALA 152 Cb 0.40 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1ba9 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54