#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 0.00 -2.67 0.00 5.66 -1.26 -3.22 114.28 112.79 1ba9 n THR 2 Ca 0.00 -1.11 -0.04 0.00 -3.05 0.00 0.00 64.05 59.85 1ba9 n THR 2 Cb 0.00 1.15 0.06 0.00 -1.55 0.00 0.00 70.33 69.99 1ba9 n THR 2 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1ba9 n LYS 3 N 2.42 0.13 -4.36 1.09 2.85 -1.24 -4.80 118.16 114.26 1ba9 n LYS 3 Ca 0.14 -0.77 -0.27 0.00 -1.05 0.00 0.00 58.31 56.36 1ba9 n LYS 3 Cb 0.59 -0.11 -0.11 0.00 -0.65 0.00 0.00 35.03 34.76 1ba9 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ba9 s ALA 4 N 0.52 2.71 0.04 0.58 0.00 -0.25 -0.31 121.76 125.05 1ba9 s ALA 4 Ca 0.25 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1ba9 s ALA 4 Cb 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1ba9 s ALA 4 CO -0.10 0.47 -0.06 0.54 0.00 0.00 0.00 175.76 176.61 1ba9 s VAL 5 N -1.61 0.37 -0.19 0.00 0.11 0.45 -0.56 120.40 118.97 1ba9 s VAL 5 Ca 0.22 -1.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.15 1ba9 s VAL 5 Cb -0.09 -0.57 0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1ba9 s VAL 5 CO 0.12 -0.47 0.05 0.00 -3.33 0.00 0.00 175.10 171.46 1ba9 s ALA 6 N -1.62 0.87 -0.43 1.54 0.00 0.14 -0.90 121.76 121.36 1ba9 s ALA 6 Ca -0.11 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1ba9 s ALA 6 Cb -0.09 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.91 1ba9 s ALA 6 CO -0.01 -1.18 0.98 0.14 0.00 0.00 0.00 175.76 175.69 1ba9 s VAL 7 N 1.93 4.45 0.45 0.00 -7.23 -1.26 -0.62 120.40 118.12 1ba9 s VAL 7 Ca -0.00 1.05 -0.22 0.00 -1.81 0.00 0.00 61.98 61.00 1ba9 s VAL 7 Cb -0.17 -4.44 -0.09 0.00 0.56 0.00 0.00 36.38 32.25 1ba9 s VAL 7 CO -0.08 -0.76 1.05 -0.76 -0.31 0.00 0.00 175.10 174.24 1ba9 s LEU 8 N 3.81 3.98 -0.21 1.32 1.02 0.74 -4.06 118.68 125.28 1ba9 s LEU 8 Ca 0.40 2.01 -0.18 0.00 0.02 0.00 0.00 54.13 56.38 1ba9 s LEU 8 Cb -0.10 -4.38 0.05 0.00 0.02 0.00 0.00 46.19 41.78 1ba9 s LEU 8 CO 0.24 -0.68 0.54 -0.75 0.02 0.00 0.00 176.35 175.73 1ba9 s LYS 9 N -2.89 0.63 0.00 1.70 2.47 0.50 -2.44 119.74 119.71 1ba9 s LYS 9 Ca 0.63 0.78 0.00 0.00 -1.56 0.00 0.00 55.97 55.83 1ba9 s LYS 9 Cb -0.20 0.28 0.00 0.00 -1.46 0.00 0.00 37.83 36.46 1ba9 s LYS 9 CO 0.24 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.08 1ba9 n GLY 10 N 2.95 6.72 0.23 5.54 0.00 -0.17 -0.82 105.19 119.64 1ba9 n GLY 10 Ca -0.14 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ba9 h ASP 11 N 0.00 0.70 -1.56 1.61 2.03 -1.89 -3.46 116.42 113.85 1ba9 h ASP 11 Ca 0.00 -0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1ba9 h ASP 11 Cb 0.00 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.32 1ba9 h ASP 11 CO 0.00 0.75 0.00 0.61 -1.03 0.00 0.00 179.24 179.57 1ba9 n GLY 12 N -0.60 1.56 0.00 7.15 0.00 -1.26 -4.97 105.19 107.07 1ba9 n GLY 12 Ca 0.01 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.49 -1.44 1.61 -0.04 -1.26 -4.78 135.00 129.58 1ba9 n PRO 13 Ca 0.00 0.02 -0.46 0.00 -0.04 0.00 0.00 63.50 63.02 1ba9 n PRO 13 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ba9 n VAL 14 N -1.23 0.01 -3.96 0.52 0.31 -1.25 -4.69 118.33 108.04 1ba9 n VAL 14 Ca 0.15 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1ba9 n VAL 14 Cb 0.20 -0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 32.15 1ba9 n VAL 14 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ba9 s GLN 15 N 7.86 0.43 -0.25 5.55 0.74 -0.34 -0.99 119.66 132.65 1ba9 s GLN 15 Ca 1.25 -0.66 -0.14 0.00 0.05 0.00 0.00 55.36 55.87 1ba9 s GLN 15 Cb -1.16 0.16 0.08 0.00 1.10 0.00 0.00 33.01 33.19 1ba9 s GLN 15 CO 0.51 -0.09 0.61 0.20 -0.55 0.00 0.00 175.29 175.97 1ba9 s GLY 16 N -1.72 -0.57 -0.87 2.59 0.00 -1.02 0.76 107.32 106.49 1ba9 s GLY 16 Ca -0.11 2.18 -0.19 0.00 0.00 0.00 0.00 44.72 46.60 1ba9 s GLY 16 CO -0.02 2.31 1.08 -0.42 0.00 0.00 0.00 173.10 176.04 1ba9 s ILE 17 N 1.75 4.70 0.60 0.90 1.09 -0.86 -0.19 121.20 129.19 1ba9 s ILE 17 Ca -0.09 -1.40 -0.14 0.00 -1.10 0.00 0.00 60.65 57.91 1ba9 s ILE 17 Cb -0.07 -4.75 -0.04 0.00 -1.06 0.00 0.00 42.46 36.55 1ba9 s ILE 17 CO -0.18 -1.47 1.04 -0.63 -0.10 0.00 0.00 174.94 173.60 1ba9 s ILE 18 N 2.82 4.09 -0.08 2.92 -1.09 0.21 -3.04 121.20 127.02 1ba9 s ILE 18 Ca 0.30 0.90 -0.08 0.00 -2.23 0.00 0.00 60.65 59.54 1ba9 s ILE 18 Cb -0.08 -3.50 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1ba9 s ILE 18 CO -0.06 -0.67 0.22 0.20 -1.23 0.00 0.00 174.94 173.40 1ba9 s ASN 19 N -3.17 -0.23 -0.05 3.58 0.01 0.17 -0.68 114.94 114.56 1ba9 s ASN 19 Ca 0.61 0.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.22 1ba9 s ASN 19 Cb -0.14 0.45 0.02 0.00 0.41 0.00 0.00 41.25 41.99 1ba9 s ASN 19 CO 0.41 -0.08 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.49 1ba9 s PHE 20 N 0.20 0.97 0.05 2.20 0.08 0.27 -1.35 117.98 120.39 1ba9 s PHE 20 Ca -0.01 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1ba9 s PHE 20 Cb -0.02 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1ba9 s PHE 20 CO -0.00 -0.24 -0.18 -1.83 -0.10 0.00 0.00 175.22 172.87 1ba9 s GLU 21 N 0.95 1.16 0.21 0.44 4.04 -0.92 -1.09 118.70 123.48 1ba9 s GLU 21 Ca -0.10 -0.88 0.00 0.00 0.04 0.00 0.00 54.97 54.03 1ba9 s GLU 21 Cb -0.14 -1.23 0.00 0.00 0.02 0.00 0.00 34.13 32.77 1ba9 s GLU 21 CO 0.00 0.31 0.00 0.94 -1.84 0.00 0.00 175.26 174.67 1ba9 n GLN 22 N 1.80 0.00 0.00 -4.83 0.00 -1.26 -0.64 117.38 112.45 1ba9 n GLN 22 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.82 1ba9 n GLN 22 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ba9 n LYS 23 N -3.13 0.00 0.34 3.69 4.81 -1.20 -4.49 118.16 118.17 1ba9 n LYS 23 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.66 1ba9 n LYS 23 Cb 0.00 0.00 1.15 0.00 0.02 0.00 0.00 35.03 36.20 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 -1.90 -3.43 114.58 115.97 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 0.43 -1.00 0.00 0.00 179.01 178.44 1ba9 n SER 25 N -3.08 0.00 -0.26 1.42 7.64 -1.26 -4.06 113.62 114.02 1ba9 n SER 25 Ca -0.03 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.89 1ba9 n SER 25 Cb 0.12 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.37 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ba9 n ASN 26 N 1.11 0.98 -0.82 6.43 4.13 -1.26 -4.49 115.26 121.33 1ba9 n ASN 26 Ca 0.00 -2.27 0.00 0.00 1.68 0.00 0.00 54.58 53.99 1ba9 n ASN 26 Cb 0.00 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ba9 n GLY 27 N -0.54 1.22 3.74 7.41 0.00 -1.26 -5.06 105.19 110.70 1ba9 n GLY 27 Ca 0.06 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 2.07 4.59 -0.05 1.61 0.04 -1.26 -4.83 135.00 137.17 1ba9 s PRO 28 Ca 0.00 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 1ba9 s PRO 28 Cb 0.00 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1ba9 s PRO 28 CO 0.00 0.08 0.58 0.54 0.04 0.00 0.00 177.00 178.24 1ba9 s VAL 29 N -0.32 5.03 -0.25 -0.36 0.11 0.52 -4.62 120.40 120.50 1ba9 s VAL 29 Ca 0.49 1.19 -0.24 0.00 -2.93 0.00 0.00 61.98 60.49 1ba9 s VAL 29 Cb -0.30 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 30.63 1ba9 s VAL 29 CO 0.36 0.36 0.80 -0.54 -3.33 0.00 0.00 175.10 172.74 1ba9 s LYS 30 N 0.24 4.15 -0.21 1.54 -0.14 0.19 -0.76 119.74 124.74 1ba9 s LYS 30 Ca 0.31 0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 55.67 1ba9 s LYS 30 Cb -0.17 -3.66 -0.05 0.00 -1.68 0.00 0.00 37.83 32.28 1ba9 s LYS 30 CO 0.15 -0.52 0.12 0.08 -0.76 0.00 0.00 175.35 174.42 1ba9 s VAL 31 N 2.81 5.17 -0.01 3.17 1.01 0.52 -2.16 120.40 130.91 1ba9 s VAL 31 Ca 0.33 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 1ba9 s VAL 31 Cb -0.15 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.92 1ba9 s VAL 31 CO 0.08 0.41 0.59 -1.66 0.00 0.00 0.00 175.10 174.52 1ba9 s TRP 32 N 0.64 -0.54 0.22 5.22 -2.14 -0.45 -0.68 118.94 121.21 1ba9 s TRP 32 Ca 0.06 0.83 -0.18 0.00 2.66 0.00 0.00 56.10 59.47 1ba9 s TRP 32 Cb -0.12 0.36 0.07 0.00 -3.10 0.00 0.00 33.47 30.67 1ba9 s TRP 32 CO 0.01 -0.60 0.91 0.41 -2.66 0.00 0.00 176.95 175.02 1ba9 n GLY 33 N 0.80 0.74 3.05 3.67 0.00 -0.10 0.45 105.19 113.81 1ba9 n GLY 33 Ca -0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 1ba9 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 34 N -3.19 -0.71 0.77 1.61 0.15 -1.17 -0.61 113.70 110.55 1ba9 s SER 34 Ca 0.20 0.48 -0.11 0.00 0.70 0.00 0.00 55.95 57.21 1ba9 s SER 34 Cb -0.03 1.71 0.05 0.00 -1.71 0.00 0.00 66.02 66.04 1ba9 s SER 34 CO 0.07 -0.29 1.10 -0.63 1.20 0.00 0.00 173.24 174.69 1ba9 s ILE 35 N 2.72 3.16 -0.30 6.45 1.01 -0.23 -2.02 121.20 131.98 1ba9 s ILE 35 Ca 0.16 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1ba9 s ILE 35 Cb -0.14 -3.21 0.17 0.00 0.01 0.00 0.00 42.46 39.29 1ba9 s ILE 35 CO -0.21 -0.49 0.44 -0.75 0.00 0.00 0.00 174.94 173.94 1ba9 s LYS 36 N -5.23 0.47 0.00 2.79 2.36 0.23 -3.65 119.74 116.71 1ba9 s LYS 36 Ca 0.60 0.09 0.00 0.00 -2.55 0.00 0.00 55.97 54.11 1ba9 s LYS 36 Cb -0.13 -0.24 0.00 0.00 -1.05 0.00 0.00 37.83 36.41 1ba9 s LYS 36 CO 0.53 -1.06 0.00 0.41 1.55 0.00 0.00 175.35 176.78 1ba9 n GLY 37 N 5.23 -0.01 1.42 5.54 0.00 0.01 -1.19 105.19 116.19 1ba9 n GLY 37 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.47 0.99 7.99 -0.76 -4.64 117.00 116.11 1ba9 n LEU 38 Ca 0.00 -0.48 -0.28 0.00 -0.01 0.00 0.00 56.01 55.24 1ba9 n LEU 38 Cb 0.00 -0.40 -0.11 0.00 -0.11 0.00 0.00 43.42 42.80 1ba9 n LEU 38 CO 0.00 -1.39 -0.49 0.42 -1.51 0.00 0.00 177.39 174.42 1ba9 s THR 39 N -1.85 2.67 0.46 -5.08 -4.23 -1.26 -4.03 115.64 102.33 1ba9 s THR 39 Ca 0.29 -1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 58.78 1ba9 s THR 39 Cb -0.03 -2.28 -0.10 0.00 1.34 0.00 0.00 72.50 71.44 1ba9 s THR 39 CO 0.22 -0.05 0.85 -1.84 -0.54 0.00 0.00 174.62 173.26 1ba9 n GLU 40 N 0.37 1.02 0.00 3.99 0.00 -1.22 -4.55 120.64 120.25 1ba9 n GLU 40 Ca -0.13 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1ba9 n GLU 40 Cb 0.55 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ba9 n GLY 41 N 1.40 0.17 3.05 -1.84 0.00 -0.88 -4.90 105.19 102.18 1ba9 n GLY 41 Ca 0.11 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 2.18 -0.03 0.99 2.34 -1.26 -0.36 118.68 122.53 1ba9 s LEU 42 Ca 0.00 -0.66 -0.01 0.00 0.06 0.00 0.00 54.13 53.52 1ba9 s LEU 42 Cb 0.00 0.28 0.03 0.00 -0.56 0.00 0.00 46.19 45.94 1ba9 s LEU 42 CO 0.00 -0.45 0.07 -1.00 -1.06 0.00 0.00 176.35 173.91 1ba9 s HIS 43 N -2.53 -0.04 0.55 3.48 3.76 0.40 -3.73 115.29 117.19 1ba9 s HIS 43 Ca -0.06 0.24 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 1ba9 s HIS 43 Cb -0.02 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.45 1ba9 s HIS 43 CO -0.05 -0.11 1.24 0.41 -0.85 0.00 0.00 174.74 175.39 1ba9 n GLY 44 N 4.07 0.44 2.79 -2.22 0.00 -0.42 -0.41 105.19 109.44 1ba9 n GLY 44 Ca -0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1ba9 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ba9 s PHE 45 N -1.34 -0.12 0.19 1.61 5.36 0.11 -0.45 117.98 123.35 1ba9 s PHE 45 Ca 0.72 0.52 -0.06 0.00 -0.96 0.00 0.00 56.93 57.15 1ba9 s PHE 45 Cb -0.43 -0.32 -0.02 0.00 -0.34 0.00 0.00 43.02 41.91 1ba9 s PHE 45 CO 0.49 -0.25 0.26 -1.01 -1.46 0.00 0.00 175.22 173.24 1ba9 s HIS 46 N 2.26 0.68 -0.53 10.12 3.76 -0.65 -3.42 115.29 127.51 1ba9 s HIS 46 Ca 0.04 -1.00 -0.19 0.00 -0.15 0.00 0.00 55.06 53.76 1ba9 s HIS 46 Cb -0.12 -0.20 0.07 0.00 1.11 0.00 0.00 32.58 33.44 1ba9 s HIS 46 CO -0.05 -0.74 0.65 0.08 -0.85 0.00 0.00 174.74 173.83 1ba9 s VAL 47 N -4.05 4.85 0.30 -0.90 1.01 -1.10 -1.28 120.40 119.24 1ba9 s VAL 47 Ca 0.26 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 1ba9 s VAL 47 Cb 0.04 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1ba9 s VAL 47 CO 0.06 -0.88 0.96 -1.00 0.00 0.00 0.00 175.10 174.24 1ba9 s HIS 48 N 2.68 3.74 0.00 5.22 3.76 0.51 -2.57 115.29 128.64 1ba9 s HIS 48 Ca 0.15 1.81 0.00 0.00 -0.15 0.00 0.00 55.06 56.87 1ba9 s HIS 48 Cb -0.20 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1ba9 s HIS 48 CO 0.11 0.16 0.00 -1.91 -0.85 0.00 0.00 174.74 172.25 1ba9 n GLU 49 N 0.86 0.95 0.00 1.40 2.13 -0.33 -3.29 120.64 122.35 1ba9 n GLU 49 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1ba9 n GLU 49 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ba9 n GLU 50 N -0.10 0.00 0.00 5.31 1.02 -1.26 -4.36 120.64 121.25 1ba9 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ba9 n GLU 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ba9 n GLU 50 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ba9 n GLU 51 N 0.00 0.00 -1.40 3.49 0.00 -1.26 -4.55 120.64 116.91 1ba9 n GLU 51 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 1ba9 n GLU 51 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ba9 n ASP 52 N 2.35 2.75 0.00 4.31 2.03 -1.26 -3.00 116.55 123.73 1ba9 n ASP 52 Ca 0.00 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1ba9 n ASP 52 Cb 0.00 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 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 8.93 0.00 -2.30 1.67 5.15 -1.26 -5.00 115.26 122.44 1ba9 n ASN 53 Ca 0.49 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 54.28 1ba9 n ASN 53 Cb 0.42 0.24 -0.13 0.00 -0.53 0.00 0.00 39.78 39.78 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 -2.02 3.30 -0.30 -0.44 5.66 -1.16 -4.50 114.28 114.82 1ba9 n THR 54 Ca 0.00 -1.98 0.23 0.00 -3.05 0.00 0.00 64.05 59.24 1ba9 n THR 54 Cb 0.00 -2.01 0.42 0.00 -1.55 0.00 0.00 70.33 67.19 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 n ALA 55 N 2.34 0.74 -3.17 1.79 0.00 -1.26 -0.89 120.51 120.05 1ba9 n ALA 55 Ca 0.49 0.96 -0.22 0.00 0.00 0.00 0.00 53.44 54.67 1ba9 n ALA 55 Cb 0.75 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 1ba9 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 56 N -1.33 3.77 3.87 0.00 0.00 -1.26 -4.96 105.19 105.28 1ba9 n GLY 56 Ca 0.29 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N -4.65 0.00 -0.15 0.00 -1.04 -1.26 -4.62 114.28 102.56 1ba9 n THR 58 Ca -0.01 0.28 0.14 0.00 -2.04 0.00 0.00 64.05 62.42 1ba9 n THR 58 Cb 0.55 -1.26 0.49 0.00 -1.82 0.00 0.00 70.33 68.29 1ba9 n THR 58 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ba9 h SER 59 N 0.00 0.41 -5.91 8.00 0.02 -1.86 -3.46 113.55 110.75 1ba9 h SER 59 Ca 0.00 0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.59 1ba9 h SER 59 Cb 0.00 -0.07 0.10 0.00 0.14 0.00 0.00 62.40 62.58 1ba9 h SER 59 CO 0.00 0.23 -0.83 0.00 -1.14 0.00 0.00 176.83 175.08 1ba9 n ALA 60 N -2.51 -2.14 -1.36 3.77 0.00 -1.26 -4.78 120.51 112.24 1ba9 n ALA 60 Ca 0.13 -0.11 -0.48 0.00 0.00 0.00 0.00 53.44 52.99 1ba9 n ALA 60 Cb 0.47 -2.80 -0.04 0.00 0.00 0.00 0.00 19.45 17.08 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 -1.43 -1.47 3.73 0.00 0.00 -1.26 -4.85 105.19 99.91 1ba9 n GLY 61 Ca -0.25 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1ba9 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 62 N -0.82 1.73 -0.34 1.61 0.04 -1.26 -4.07 135.00 131.90 1ba9 s PRO 62 Ca 0.65 1.32 -0.40 0.00 0.04 0.00 0.00 61.00 62.61 1ba9 s PRO 62 Cb -0.94 -1.83 -0.16 0.00 0.04 0.00 0.00 34.50 31.62 1ba9 s PRO 62 CO 0.54 -2.06 1.86 0.72 0.04 0.00 0.00 177.00 178.10 1ba9 n HIS 63 N -3.82 1.85 -1.87 0.56 8.25 -1.26 -1.19 115.22 117.74 1ba9 n HIS 63 Ca 0.10 0.57 -0.43 0.00 -0.26 0.00 0.00 57.72 57.70 1ba9 n HIS 63 Cb 0.53 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 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 4.49 1.64 -0.55 4.41 5.36 -1.06 -4.83 117.98 127.44 1ba9 s PHE 64 Ca 1.04 0.37 0.07 0.00 -0.96 0.00 0.00 56.93 57.44 1ba9 s PHE 64 Cb -1.12 -4.04 0.27 0.00 -0.34 0.00 0.00 43.02 37.79 1ba9 s PHE 64 CO 0.64 -3.76 0.71 -1.71 -1.46 0.00 0.00 175.22 169.64 1ba9 n ASN 65 N 9.47 2.69 0.24 6.13 5.15 -1.26 -3.28 115.26 134.41 1ba9 n ASN 65 Ca 0.23 -3.24 0.15 0.00 -0.60 0.00 0.00 54.58 51.11 1ba9 n ASN 65 Cb 0.45 -0.65 0.44 0.00 -0.53 0.00 0.00 39.78 39.48 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ba9 h PRO 66 N 3.93 0.00 0.00 1.20 0.13 -1.97 -2.78 132.00 132.51 1ba9 h PRO 66 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ba9 h PRO 66 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ba9 h PRO 66 CO 0.71 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.41 1ba9 h LEU 67 N 0.00 0.00 -0.37 1.56 3.38 -1.94 -3.47 115.31 114.47 1ba9 h LEU 67 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1ba9 h LEU 67 Cb 0.74 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.60 1ba9 h LEU 67 CO 0.00 0.00 -0.58 -0.24 0.09 0.00 0.00 178.44 177.71 1ba9 n SER 68 N -2.36 -5.81 -4.82 -0.43 2.88 -1.05 -5.03 113.62 97.00 1ba9 n SER 68 Ca 0.03 -0.41 -0.27 0.00 -1.33 0.00 0.00 58.87 56.89 1ba9 n SER 68 Cb 0.30 -4.49 -0.05 0.00 -0.75 0.00 0.00 64.21 59.22 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 -5.99 2.24 0.84 -1.46 0.52 -1.26 -5.14 118.95 108.70 1ba9 s ARG 69 Ca 0.45 -2.02 -0.13 0.00 -0.52 0.00 0.00 55.73 53.50 1ba9 s ARG 69 Cb -0.20 -1.95 0.10 0.00 0.52 0.00 0.00 34.95 33.43 1ba9 s ARG 69 CO 0.55 -0.37 1.21 0.15 0.02 0.00 0.00 175.30 176.85 1ba9 s LYS 70 N -4.06 1.71 0.59 3.54 1.02 -1.26 -4.84 119.74 116.44 1ba9 s LYS 70 Ca 0.31 0.02 -0.18 0.00 0.02 0.00 0.00 55.97 56.14 1ba9 s LYS 70 Cb 0.01 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1ba9 s LYS 70 CO 0.18 -1.76 1.12 -1.58 -0.92 0.00 0.00 175.35 172.39 1ba9 s HIS 71 N -3.63 2.66 0.00 3.18 5.65 0.10 -3.28 115.29 119.97 1ba9 s HIS 71 Ca 0.64 1.55 0.00 0.00 0.25 0.00 0.00 55.06 57.50 1ba9 s HIS 71 Cb -0.10 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 28.07 1ba9 s HIS 71 CO 0.50 -1.60 0.00 0.41 -0.65 0.00 0.00 174.74 173.40 1ba9 n GLY 72 N -0.14 2.03 3.58 1.59 0.00 -1.25 -3.92 105.19 107.08 1ba9 n GLY 72 Ca 0.11 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.25 2.57 0.00 -0.02 0.00 -1.24 -4.65 107.32 103.73 1ba9 s GLY 73 Ca 0.00 -1.38 0.10 0.00 0.00 0.00 0.00 44.72 43.44 1ba9 s GLY 73 CO 0.00 -1.96 1.13 -1.55 0.00 0.00 0.00 173.10 170.72 1ba9 n PRO 74 N -0.95 0.21 -0.20 2.90 -0.04 -1.25 -0.93 135.00 134.73 1ba9 n PRO 74 Ca -0.08 0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1ba9 n PRO 74 Cb 0.66 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.77 1ba9 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ba9 n LYS 75 N -1.17 2.64 -3.88 0.54 4.76 -1.26 -5.00 118.16 114.79 1ba9 n LYS 75 Ca 0.06 -2.26 -0.21 0.00 -2.87 0.00 0.00 58.31 53.02 1ba9 n LYS 75 Cb 0.06 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 31.79 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ba9 s ASP 76 N -1.60 5.26 0.30 4.39 1.11 -0.11 -5.03 116.67 120.99 1ba9 s ASP 76 Ca 0.25 -0.49 0.03 0.00 0.18 0.00 0.00 52.55 52.52 1ba9 s ASP 76 Cb 0.19 -1.01 0.46 0.00 1.07 0.00 0.00 42.92 43.63 1ba9 s ASP 76 CO 0.08 -0.31 1.77 1.05 1.18 0.00 0.00 175.17 178.95 1ba9 h GLU 77 N 1.31 0.52 -6.14 8.23 4.11 -1.95 -3.44 114.58 117.22 1ba9 h GLU 77 Ca -0.45 -0.16 -0.64 0.00 0.07 0.00 0.00 59.36 58.18 1ba9 h GLU 77 Cb 1.25 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 1ba9 h GLU 77 CO 0.59 0.66 -0.59 -2.00 0.07 0.00 0.00 179.01 177.74 1ba9 s GLU 78 N -4.67 2.94 -0.30 1.06 2.56 -1.26 -5.11 118.70 113.92 1ba9 s GLU 78 Ca -0.07 -0.64 -0.21 0.00 0.00 0.00 0.00 54.97 54.04 1ba9 s GLU 78 Cb 0.14 -2.76 0.19 0.00 2.00 0.00 0.00 34.13 33.70 1ba9 s GLU 78 CO 0.78 0.58 1.34 -0.98 -0.56 0.00 0.00 175.26 176.42 1ba9 s ARG 79 N -2.28 0.09 0.94 4.30 1.70 -1.21 -3.64 118.95 118.86 1ba9 s ARG 79 Ca 0.28 0.13 -0.13 0.00 -0.47 0.00 0.00 55.73 55.54 1ba9 s ARG 79 Cb -0.12 0.04 0.15 0.00 -0.57 0.00 0.00 34.95 34.45 1ba9 s ARG 79 CO 0.21 -0.01 1.15 -1.01 -1.08 0.00 0.00 175.30 174.56 1ba9 s HIS 80 N 0.46 2.27 0.21 5.89 3.76 -1.24 -4.84 115.29 121.80 1ba9 s HIS 80 Ca 0.01 0.77 -0.10 0.00 -0.15 0.00 0.00 55.06 55.60 1ba9 s HIS 80 Cb -0.04 -3.46 0.21 0.00 1.11 0.00 0.00 32.58 30.39 1ba9 s HIS 80 CO -0.13 -2.51 1.84 -0.24 -0.85 0.00 0.00 174.74 172.86 1ba9 h VAL 81 N -1.59 1.08 -0.84 -0.90 3.04 -1.94 -2.37 116.25 112.73 1ba9 h VAL 81 Ca -0.49 -0.29 -0.35 0.00 -1.01 0.00 0.00 66.70 64.56 1ba9 h VAL 81 Cb 1.32 0.15 -0.21 0.00 -2.01 0.00 0.00 31.29 30.55 1ba9 h VAL 81 CO 0.58 0.16 0.44 0.61 -1.01 0.00 0.00 177.57 178.34 1ba9 n GLY 82 N -1.29 3.96 3.12 3.17 0.00 -1.25 -4.81 105.19 108.08 1ba9 n GLY 82 Ca 0.08 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N -0.56 5.03 -2.33 1.61 9.92 -0.89 -2.70 116.55 126.62 1ba9 n ASP 83 Ca 0.48 -3.03 -0.23 0.00 -0.53 0.00 0.00 54.79 51.48 1ba9 n ASP 83 Cb 1.50 -1.54 -0.06 0.00 -0.64 0.00 0.00 41.12 40.37 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 84 N 4.99 6.30 0.00 0.64 4.77 -1.22 -3.96 117.00 128.53 1ba9 n LEU 84 Ca 0.40 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1ba9 n LEU 84 Cb 0.39 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1ba9 n LEU 84 CO 0.75 1.65 0.00 0.61 -1.33 0.00 0.00 177.39 179.07 1ba9 n GLY 85 N 1.01 0.98 3.27 -0.72 0.00 -1.26 -4.62 105.19 103.85 1ba9 n GLY 85 Ca 0.45 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.69 2.14 0.35 1.61 6.03 -1.26 -0.71 114.94 121.39 1ba9 s ASN 86 Ca 0.00 -0.88 0.08 0.00 -1.03 0.00 0.00 52.86 51.03 1ba9 s ASN 86 Cb 0.00 -0.08 -0.03 0.00 -3.03 0.00 0.00 41.25 38.11 1ba9 s ASN 86 CO 0.00 -0.16 0.24 0.68 -2.03 0.00 0.00 177.10 175.83 1ba9 s VAL 87 N -2.43 3.24 -0.25 3.54 -7.23 0.46 -4.86 120.40 112.86 1ba9 s VAL 87 Ca 0.13 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1ba9 s VAL 87 Cb -0.03 -3.09 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1ba9 s VAL 87 CO 0.04 -0.16 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.73 1ba9 s THR 88 N -2.37 2.94 0.18 5.32 2.01 -1.26 -0.45 115.64 122.00 1ba9 s THR 88 Ca 0.40 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1ba9 s THR 88 Cb -0.04 -2.49 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 1ba9 s THR 88 CO 0.25 0.20 0.66 0.00 -0.69 0.00 0.00 174.62 175.05 1ba9 s ALA 89 N 1.34 3.48 0.87 7.40 0.00 0.51 -3.95 121.76 131.41 1ba9 s ALA 89 Ca 0.01 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1ba9 s ALA 89 Cb -0.17 -2.72 0.14 0.00 0.00 0.00 0.00 23.12 20.37 1ba9 s ALA 89 CO -0.04 0.37 1.22 0.34 0.00 0.00 0.00 175.76 177.65 1ba9 s ASP 90 N -1.58 3.83 0.24 0.00 -1.08 0.71 -2.08 116.67 116.71 1ba9 s ASP 90 Ca 0.40 0.41 0.19 0.00 -0.52 0.00 0.00 52.55 53.02 1ba9 s ASP 90 Cb -0.17 -0.68 0.93 0.00 -1.46 0.00 0.00 42.92 41.55 1ba9 s ASP 90 CO 0.21 -2.29 1.59 2.29 0.52 0.00 0.00 175.17 177.49 1ba9 n LYS 91 N -3.47 0.13 0.00 4.34 2.85 -1.26 -0.48 118.16 120.27 1ba9 n LYS 91 Ca 0.12 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 58.03 1ba9 n LYS 91 Cb 0.60 -1.84 0.30 0.00 -0.65 0.00 0.00 35.03 33.43 1ba9 n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ba9 n ASP 92 N -2.11 1.55 0.00 -5.58 -0.08 -1.26 -4.86 116.55 104.21 1ba9 n ASP 92 Ca 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 54.79 52.01 1ba9 n ASP 92 Cb 0.11 0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.74 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ba9 n GLY 93 N 1.32 0.41 3.37 0.27 0.00 0.37 -4.65 105.19 106.27 1ba9 n GLY 93 Ca 0.13 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 3.97 -0.42 1.61 1.01 -1.25 -0.81 120.40 122.51 1ba9 s VAL 94 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1ba9 s VAL 94 Cb 0.00 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.50 1ba9 s VAL 94 CO 0.00 0.24 0.27 0.00 0.00 0.00 0.00 175.10 175.61 1ba9 s ALA 95 N 1.54 3.35 -0.43 5.51 0.00 -1.24 -0.21 121.76 130.27 1ba9 s ALA 95 Ca 0.05 -2.00 -0.28 0.00 0.00 0.00 0.00 51.96 49.73 1ba9 s ALA 95 Cb -0.16 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1ba9 s ALA 95 CO 0.02 -1.58 1.05 -0.51 0.00 0.00 0.00 175.76 174.74 1ba9 s ASP 96 N 2.03 6.66 0.13 0.00 1.01 -1.25 -1.07 116.67 124.17 1ba9 s ASP 96 Ca 0.03 0.50 -0.21 0.00 0.71 0.00 0.00 52.55 53.57 1ba9 s ASP 96 Cb -0.22 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 1ba9 s ASP 96 CO 0.05 -1.10 0.66 -0.69 0.21 0.00 0.00 175.17 174.30 1ba9 s VAL 97 N 4.05 4.59 -0.29 -1.27 1.01 0.22 -4.76 120.40 123.94 1ba9 s VAL 97 Ca 0.44 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.83 1ba9 s VAL 97 Cb -0.09 -3.98 0.20 0.00 0.00 0.00 0.00 36.38 32.51 1ba9 s VAL 97 CO 0.26 0.50 0.69 -0.55 0.00 0.00 0.00 175.10 176.00 1ba9 s SER 98 N -1.20 -1.37 0.31 3.32 0.15 -1.25 -0.92 113.70 112.74 1ba9 s SER 98 Ca 0.33 0.18 -0.08 0.00 0.70 0.00 0.00 55.95 57.08 1ba9 s SER 98 Cb -0.20 1.88 0.01 0.00 -1.71 0.00 0.00 66.02 65.99 1ba9 s SER 98 CO 0.22 -0.25 0.51 -0.51 1.20 0.00 0.00 173.24 174.41 1ba9 s ILE 99 N 2.86 0.00 -0.05 6.45 2.07 0.15 -5.01 121.20 127.67 1ba9 s ILE 99 Ca 0.14 -1.46 -0.02 0.00 -1.41 0.00 0.00 60.65 57.91 1ba9 s ILE 99 Cb -0.08 -2.51 0.03 0.00 0.13 0.00 0.00 42.46 40.03 1ba9 s ILE 99 CO -0.25 0.00 0.10 -0.70 -1.91 0.00 0.00 174.94 172.18 1ba9 s GLU 100 N -3.32 0.04 0.02 3.50 2.12 -1.26 -0.36 118.70 119.44 1ba9 s GLU 100 Ca 0.26 0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.96 1ba9 s GLU 100 Cb -0.01 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.15 1ba9 s GLU 100 CO 0.15 -0.17 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.95 1ba9 s ASP 101 N 1.13 2.87 0.00 -1.70 1.01 0.06 -4.97 116.67 115.07 1ba9 s ASP 101 Ca -0.09 -0.52 0.18 0.00 0.71 0.00 0.00 52.55 52.84 1ba9 s ASP 101 Cb -0.12 -0.28 0.06 0.00 1.01 0.00 0.00 42.92 43.59 1ba9 s ASP 101 CO -0.05 0.25 0.99 -1.20 0.21 0.00 0.00 175.17 175.37 1ba9 n SER 102 N 2.05 2.08 -0.07 0.27 7.64 -1.26 -0.35 113.62 123.97 1ba9 n SER 102 Ca -0.16 -1.54 -0.07 0.00 1.01 0.00 0.00 58.87 58.10 1ba9 n SER 102 Cb 0.52 0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ba9 n VAL 103 N 0.36 1.28 -2.02 0.44 0.31 -1.26 -4.82 118.33 112.62 1ba9 n VAL 103 Ca 0.09 0.20 -0.34 0.00 -0.01 0.00 0.00 64.34 64.28 1ba9 n VAL 103 Cb 0.42 -2.19 0.02 0.00 -0.91 0.00 0.00 33.84 31.18 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ba9 s ILE 104 N -2.60 3.16 0.32 2.52 -5.25 -1.26 -4.82 121.20 113.27 1ba9 s ILE 104 Ca -0.24 0.64 -0.09 0.00 -0.99 0.00 0.00 60.65 59.97 1ba9 s ILE 104 Cb 0.03 -3.19 0.03 0.00 2.95 0.00 0.00 42.46 42.28 1ba9 s ILE 104 CO 0.35 -0.24 0.58 -1.20 -1.79 0.00 0.00 174.94 172.64 1ba9 n SER 105 N -1.82 -1.67 -1.60 4.36 7.64 -1.08 -4.47 113.62 114.99 1ba9 n SER 105 Ca 0.11 -2.45 0.04 0.00 1.01 0.00 0.00 58.87 57.59 1ba9 n SER 105 Cb 0.51 2.87 0.31 0.00 -1.01 0.00 0.00 64.21 66.88 1ba9 n SER 105 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ba9 n LEU 106 N 0.00 4.73 0.00 -3.43 4.32 -1.26 -0.06 117.00 121.30 1ba9 n LEU 106 Ca -0.05 -2.41 0.03 0.00 -0.02 0.00 0.00 56.01 53.56 1ba9 n LEU 106 Cb 0.50 -0.65 0.01 0.00 -1.62 0.00 0.00 43.42 41.66 1ba9 n LEU 106 CO 0.24 0.56 0.98 -1.54 -1.22 0.00 0.00 177.39 176.41 1ba9 n SER 107 N 0.42 -1.06 0.00 -1.43 3.41 -1.26 -4.74 113.62 108.96 1ba9 n SER 107 Ca 0.23 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1ba9 n SER 107 Cb 1.01 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 66.59 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N -0.82 2.05 1.97 5.00 0.00 -1.26 -3.78 105.19 108.34 1ba9 n GLY 108 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 109 N 5.49 -0.10 -1.87 1.61 9.92 -1.26 -4.88 116.55 125.47 1ba9 n ASP 109 Ca 0.00 0.33 -0.09 0.00 -0.53 0.00 0.00 54.79 54.50 1ba9 n ASP 109 Cb 0.00 0.26 -0.11 0.00 -0.64 0.00 0.00 41.12 40.63 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1ba9 n HIS 110 N -3.15 0.07 -1.56 1.24 8.25 -1.26 -4.89 115.22 113.91 1ba9 n HIS 110 Ca 0.00 -1.37 -0.42 0.00 -0.26 0.00 0.00 57.72 55.66 1ba9 n HIS 110 Cb 0.00 -1.27 -0.04 0.00 1.12 0.00 0.00 29.99 29.80 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 n SER 111 N 2.13 2.75 0.27 0.41 2.88 -1.23 -2.62 113.62 118.21 1ba9 n SER 111 Ca 0.31 0.04 0.14 0.00 -1.33 0.00 0.00 58.87 58.02 1ba9 n SER 111 Cb 0.78 -1.50 0.73 0.00 -0.75 0.00 0.00 64.21 63.47 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1ba9 h ILE 112 N 7.32 0.46 -2.36 2.46 3.07 -0.77 -3.42 117.51 124.28 1ba9 h ILE 112 Ca -0.33 -0.57 -0.56 0.00 1.55 0.00 0.00 64.86 64.95 1ba9 h ILE 112 Cb 1.26 1.39 -0.00 0.00 -0.27 0.00 0.00 36.82 39.20 1ba9 h ILE 112 CO 1.03 0.11 1.29 -0.63 -1.05 0.00 0.00 178.15 178.90 1ba9 s ILE 113 N -4.07 3.22 0.00 0.16 -1.09 -1.26 -1.55 121.20 116.60 1ba9 s ILE 113 Ca -0.02 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1ba9 s ILE 113 Cb 0.12 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1ba9 s ILE 113 CO 0.57 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1ba9 n GLY 114 N 4.98 0.63 3.45 6.18 0.00 -0.03 -5.01 105.19 115.39 1ba9 n GLY 114 Ca 0.23 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.45 1.60 -0.33 1.61 1.81 -0.60 -4.91 118.95 114.69 1ba9 s ARG 115 Ca 0.00 -1.81 -0.12 0.00 -1.72 0.00 0.00 55.73 52.08 1ba9 s ARG 115 Cb 0.00 -1.29 -0.02 0.00 -0.45 0.00 0.00 34.95 33.19 1ba9 s ARG 115 CO 0.00 0.07 0.22 0.99 -0.68 0.00 0.00 175.30 175.90 1ba9 s THR 116 N -2.91 5.12 -0.05 0.02 2.01 -1.21 -0.71 115.64 117.92 1ba9 s THR 116 Ca 0.30 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 1ba9 s THR 116 Cb 0.03 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1ba9 s THR 116 CO 0.13 0.02 0.47 -0.22 -0.69 0.00 0.00 174.62 174.33 1ba9 s LEU 117 N 1.70 4.38 -0.01 4.42 0.20 0.73 -0.36 118.68 129.74 1ba9 s LEU 117 Ca 0.06 0.94 -0.05 0.00 0.69 0.00 0.00 54.13 55.76 1ba9 s LEU 117 Cb -0.17 -2.70 -0.00 0.00 -0.43 0.00 0.00 46.19 42.89 1ba9 s LEU 117 CO 0.10 0.14 0.10 -0.69 -0.29 0.00 0.00 176.35 175.71 1ba9 s VAL 118 N -0.18 0.07 0.08 1.68 1.01 -0.40 -0.24 120.40 122.42 1ba9 s VAL 118 Ca 0.26 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1ba9 s VAL 118 Cb -0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1ba9 s VAL 118 CO 0.13 -0.31 -0.25 0.54 0.00 0.00 0.00 175.10 175.21 1ba9 s VAL 119 N -1.04 2.31 0.23 2.92 0.11 -0.22 -1.64 120.40 123.07 1ba9 s VAL 119 Ca -0.11 -1.49 0.07 0.00 -2.93 0.00 0.00 61.98 57.52 1ba9 s VAL 119 Cb -0.06 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 1ba9 s VAL 119 CO 0.01 0.26 0.11 -1.00 -3.33 0.00 0.00 175.10 171.14 1ba9 s HIS 120 N -0.93 2.98 0.04 1.54 3.76 0.41 -1.20 115.29 121.88 1ba9 s HIS 120 Ca 0.13 -0.12 -0.26 0.00 -0.15 0.00 0.00 55.06 54.66 1ba9 s HIS 120 Cb -0.10 -1.37 -0.14 0.00 1.11 0.00 0.00 32.58 32.08 1ba9 s HIS 120 CO 0.04 0.54 1.31 1.49 -0.85 0.00 0.00 174.74 177.28 1ba9 h GLU 121 N 1.93 -0.90 0.00 1.40 4.81 -1.14 -3.34 114.58 117.33 1ba9 h GLU 121 Ca -0.47 0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 58.54 1ba9 h GLU 121 Cb 1.23 0.21 0.05 0.00 0.63 0.00 0.00 28.75 30.87 1ba9 h GLU 121 CO 0.61 -0.60 0.08 1.63 -0.73 0.00 0.00 179.01 179.99 1ba9 n LYS 122 N -4.69 0.12 -2.37 1.92 4.76 -1.25 -4.71 118.16 111.95 1ba9 n LYS 122 Ca -0.12 -1.66 -0.35 0.00 -2.87 0.00 0.00 58.31 53.32 1ba9 n LYS 122 Cb 0.37 -0.43 -0.01 0.00 -1.84 0.00 0.00 35.03 33.12 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 -3.07 2.78 0.01 7.82 0.00 -1.24 -1.30 121.76 126.76 1ba9 s ALA 123 Ca 0.41 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1ba9 s ALA 123 Cb -0.02 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1ba9 s ALA 123 CO 0.27 -0.59 1.17 -0.51 0.00 0.00 0.00 175.76 176.11 1ba9 s ASP 124 N -1.83 7.11 0.00 0.00 1.01 -1.26 -4.00 116.67 117.69 1ba9 s ASP 124 Ca 0.70 1.89 0.01 0.00 0.71 0.00 0.00 52.55 55.86 1ba9 s ASP 124 Cb -0.21 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.23 1ba9 s ASP 124 CO 0.24 -0.49 0.81 0.47 0.21 0.00 0.00 175.17 176.42 1ba9 n ASP 125 N 4.43 0.00 -4.31 0.27 8.00 0.37 -4.87 116.55 120.43 1ba9 n ASP 125 Ca 0.09 -1.47 -0.36 0.00 0.71 0.00 0.00 54.79 53.76 1ba9 n ASP 125 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 126 N -0.53 -1.37 0.00 0.64 4.77 -1.26 -0.41 117.00 118.85 1ba9 n LEU 126 Ca 0.01 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1ba9 n LEU 126 Cb 0.00 -1.87 0.00 0.00 -2.33 0.00 0.00 43.42 39.23 1ba9 n LEU 126 CO 0.01 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1ba9 n GLY 127 N -1.53 1.70 0.31 -0.72 0.00 -1.25 -4.32 105.19 99.38 1ba9 n GLY 127 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 h LYS 128 N 1.58 0.00 -0.30 1.61 1.79 -1.05 -1.21 116.57 119.00 1ba9 h LYS 128 Ca 0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1ba9 h LYS 128 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1ba9 h LYS 128 CO 0.00 0.00 0.23 0.78 -1.08 0.00 0.00 179.45 179.38 1ba9 h GLY 129 N 0.00 0.00 -4.12 3.86 0.00 -1.89 -3.47 103.07 97.45 1ba9 h GLY 129 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 1ba9 h GLY 129 CO -0.00 0.00 -0.45 0.61 0.00 0.00 0.00 176.54 176.70 1ba9 n GLY 130 N -1.56 -0.05 3.23 4.60 0.00 -0.46 -5.04 105.19 105.91 1ba9 n GLY 130 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 131 N -3.69 -0.05 0.29 1.61 6.03 -1.26 -5.02 114.94 112.85 1ba9 s ASN 131 Ca 0.04 -0.30 0.04 0.00 -1.03 0.00 0.00 52.86 51.60 1ba9 s ASN 131 Cb -0.01 0.34 0.72 0.00 -3.03 0.00 0.00 41.25 39.28 1ba9 s ASN 131 CO 0.42 -0.62 1.70 -0.08 -2.03 0.00 0.00 177.10 176.48 1ba9 h GLU 132 N 3.19 0.40 0.00 3.55 4.81 -1.97 0.17 114.58 124.73 1ba9 h GLU 132 Ca -0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1ba9 h GLU 132 Cb 1.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ba9 h GLU 132 CO 0.48 0.27 0.00 0.94 -0.73 0.00 0.00 179.01 179.96 1ba9 n GLN 133 N -5.03 0.00 -0.26 1.92 0.00 -1.26 -0.05 117.38 112.69 1ba9 n GLN 133 Ca 0.22 0.39 -0.02 0.00 -0.00 0.00 0.00 57.00 57.59 1ba9 n GLN 133 Cb 0.64 -1.12 0.04 0.00 0.00 0.00 0.00 30.24 29.80 1ba9 n GLN 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ba9 h SER 134 N 0.00 -1.10 0.00 1.69 0.87 -1.79 0.54 113.55 113.76 1ba9 h SER 134 Ca 0.00 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1ba9 h SER 134 Cb 0.00 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ba9 h SER 134 CO 0.00 -0.29 0.00 0.35 -0.53 0.00 0.00 176.83 176.36 1ba9 n THR 135 N -5.46 0.00 -0.03 2.23 -2.24 0.57 -0.16 114.28 109.19 1ba9 n THR 135 Ca 0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1ba9 n THR 135 Cb 0.38 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ba9 n LYS 136 N -0.90 2.16 0.00 -0.78 4.81 0.92 0.00 118.16 124.37 1ba9 n LYS 136 Ca 0.13 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1ba9 n LYS 136 Cb 0.06 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 33.99 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 -2.35 0.00 0.00 3.15 -2.24 0.18 -4.58 114.28 108.44 1ba9 n THR 137 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ba9 n THR 137 Cb 0.64 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 2.65 0.52 2.74 3.38 0.00 0.77 -4.62 105.19 110.64 1ba9 n GLY 138 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -5.27 0.07 1.61 5.15 -1.26 -0.48 115.26 115.08 1ba9 n ASN 139 Ca 0.00 0.03 -0.13 0.00 -0.60 0.00 0.00 54.58 53.89 1ba9 n ASN 139 Cb 0.00 -2.88 -0.08 0.00 -0.53 0.00 0.00 39.78 36.29 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 h ALA 140 N 0.00 -0.11 0.00 5.20 0.00 -1.82 -3.48 119.26 119.05 1ba9 h ALA 140 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ba9 h ALA 140 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ba9 h ALA 140 CO 0.04 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1ba9 n GLY 141 N -0.96 0.73 3.57 0.00 0.00 -1.26 -3.79 105.19 103.48 1ba9 n GLY 141 Ca -0.08 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 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 0.98 -0.38 1.61 0.15 -1.26 -4.56 113.70 106.24 1ba9 s SER 142 Ca 0.00 0.77 -0.16 0.00 0.70 0.00 0.00 55.95 57.26 1ba9 s SER 142 Cb 0.00 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1ba9 s SER 142 CO 0.00 -4.10 0.37 -0.13 1.20 0.00 0.00 173.24 170.58 1ba9 s ARG 143 N -5.26 3.32 0.37 5.44 3.00 -1.26 -0.67 118.95 123.89 1ba9 s ARG 143 Ca 0.70 -0.63 0.09 0.00 0.00 0.00 0.00 55.73 55.90 1ba9 s ARG 143 Cb -0.12 -3.88 0.74 0.00 0.00 0.00 0.00 34.95 31.68 1ba9 s ARG 143 CO 0.57 -0.67 1.88 -0.07 0.00 0.00 0.00 175.30 177.01 1ba9 h LEU 144 N 8.83 0.20 -7.00 2.53 -0.00 -1.41 -3.46 115.31 115.01 1ba9 h LEU 144 Ca -0.28 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.49 1ba9 h LEU 144 Cb 1.13 -0.05 -0.18 0.00 -0.00 0.00 0.00 40.66 41.55 1ba9 h LEU 144 CO 0.73 0.41 0.20 0.00 -0.00 0.00 0.00 178.44 179.78 1ba9 s ALA 145 N -4.59 -1.75 0.16 1.53 0.00 -1.19 -4.13 121.76 111.77 1ba9 s ALA 145 Ca -0.05 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1ba9 s ALA 145 Cb 0.15 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1ba9 s ALA 145 CO 0.74 -0.42 -0.18 0.00 0.00 0.00 0.00 175.76 175.89 1ba9 s GLY 147 N -2.57 -0.20 -0.11 0.00 0.00 0.67 -0.37 107.32 104.74 1ba9 s GLY 147 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 1ba9 s GLY 147 CO 0.06 -0.10 -0.08 0.14 0.00 0.00 0.00 173.10 173.11 1ba9 s VAL 148 N -3.87 3.52 -0.21 1.40 1.01 -1.26 -0.19 120.40 120.80 1ba9 s VAL 148 Ca 0.08 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 1ba9 s VAL 148 Cb -0.03 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1ba9 s VAL 148 CO -0.01 0.55 0.72 -0.63 0.00 0.00 0.00 175.10 175.73 1ba9 s ILE 149 N -0.15 4.94 0.18 2.22 1.01 0.12 -3.99 121.20 125.53 1ba9 s ILE 149 Ca 0.01 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.03 1ba9 s ILE 149 Cb -0.13 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1ba9 s ILE 149 CO 0.03 0.04 0.22 0.61 0.00 0.00 0.00 174.94 175.84 1ba9 n GLY 150 N 3.76 2.84 3.78 6.18 0.00 -0.08 -0.85 105.19 120.81 1ba9 n GLY 150 Ca 0.02 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1ba9 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba9 s ILE 151 N -2.64 3.37 -1.54 -0.61 1.09 -1.26 -0.41 121.20 119.19 1ba9 s ILE 151 Ca 0.16 1.04 -0.10 0.00 -1.10 0.00 0.00 60.65 60.65 1ba9 s ILE 151 Cb -0.00 -3.53 -0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1ba9 s ILE 151 CO 0.12 -0.01 2.73 0.00 -0.10 0.00 0.00 174.94 177.68 1ba9 n ALA 152 N -0.31 7.12 -0.72 9.38 0.00 0.57 -4.45 120.51 132.10 1ba9 n ALA 152 Ca 0.06 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1ba9 n ALA 152 Cb 0.49 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50