#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 s THR 2 N 0.00 3.60 0.11 0.00 2.01 -1.26 -4.96 115.64 115.14 1ba9 s THR 2 Ca 0.00 0.55 0.09 0.00 0.31 0.00 0.00 61.69 62.64 1ba9 s THR 2 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1ba9 s THR 2 CO 0.00 -0.72 -0.21 -1.59 -0.69 0.00 0.00 174.62 171.41 1ba9 s LYS 3 N 5.77 1.17 0.74 4.92 -2.85 -1.26 -3.52 119.74 124.71 1ba9 s LYS 3 Ca 0.68 -1.22 -0.08 0.00 -1.00 0.00 0.00 55.97 54.35 1ba9 s LYS 3 Cb -0.16 -1.43 0.07 0.00 -2.06 0.00 0.00 37.83 34.25 1ba9 s LYS 3 CO 0.29 0.33 1.06 0.00 0.10 0.00 0.00 175.35 177.13 1ba9 s ALA 4 N -1.29 3.02 0.05 0.59 0.00 0.54 -1.25 121.76 123.43 1ba9 s ALA 4 Ca 0.09 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1ba9 s ALA 4 Cb -0.09 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 1ba9 s ALA 4 CO 0.05 -1.43 -0.13 0.54 0.00 0.00 0.00 175.76 174.79 1ba9 s VAL 5 N -3.34 1.03 -0.17 0.00 0.11 0.82 -0.88 120.40 117.96 1ba9 s VAL 5 Ca 0.61 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1ba9 s VAL 5 Cb -0.10 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1ba9 s VAL 5 CO 0.46 -0.11 -0.03 0.00 -3.33 0.00 0.00 175.10 172.08 1ba9 s ALA 6 N -1.03 1.40 -0.54 1.54 0.00 -0.12 -0.83 121.76 122.19 1ba9 s ALA 6 Ca -0.01 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1ba9 s ALA 6 Cb -0.09 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.92 1ba9 s ALA 6 CO 0.01 -0.89 1.14 0.14 0.00 0.00 0.00 175.76 176.16 1ba9 s VAL 7 N 1.67 4.14 0.28 0.00 -7.23 -1.26 -0.81 120.40 117.19 1ba9 s VAL 7 Ca -0.00 0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 60.82 1ba9 s VAL 7 Cb -0.16 -4.65 -0.10 0.00 0.56 0.00 0.00 36.38 32.03 1ba9 s VAL 7 CO -0.07 -1.18 1.12 -0.76 -0.31 0.00 0.00 175.10 173.89 1ba9 s LEU 8 N 4.63 4.54 -0.02 1.32 1.02 0.79 -3.95 118.68 127.01 1ba9 s LEU 8 Ca 0.43 2.31 -0.08 0.00 0.02 0.00 0.00 54.13 56.81 1ba9 s LEU 8 Cb -0.08 -3.63 0.01 0.00 0.02 0.00 0.00 46.19 42.51 1ba9 s LEU 8 CO 0.27 -0.18 0.16 -0.75 0.02 0.00 0.00 176.35 175.88 1ba9 s LYS 9 N -1.47 0.43 0.00 1.70 2.20 -0.15 -1.36 119.74 121.09 1ba9 s LYS 9 Ca 0.45 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1ba9 s LYS 9 Cb -0.33 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 1ba9 s LYS 9 CO 0.42 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1ba9 n GLY 10 N 1.86 5.53 0.20 5.54 0.00 -0.92 -0.92 105.19 116.48 1ba9 n GLY 10 Ca -0.20 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 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 0.36 -1.48 1.61 1.82 -1.88 -3.45 116.42 113.40 1ba9 h ASP 11 Ca 0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1ba9 h ASP 11 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1ba9 h ASP 11 CO 0.00 0.25 0.00 0.61 -1.61 0.00 0.00 179.24 178.49 1ba9 n GLY 12 N -1.24 1.34 0.12 -0.78 0.00 -1.26 -4.97 105.19 98.40 1ba9 n GLY 12 Ca 0.03 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 1.15 -1.37 1.61 -0.04 -1.26 -4.77 135.00 130.32 1ba9 n PRO 13 Ca 0.00 -0.23 -0.53 0.00 -0.04 0.00 0.00 63.50 62.70 1ba9 n PRO 13 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.61 0.09 -4.12 0.52 0.31 -1.26 -4.64 118.33 108.62 1ba9 n VAL 14 Ca 0.17 -0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1ba9 n VAL 14 Cb 0.14 -1.12 -0.11 0.00 -0.91 0.00 0.00 33.84 31.84 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 6.40 0.68 -0.20 5.55 -2.07 -1.08 -2.16 119.66 126.79 1ba9 s GLN 15 Ca 1.15 -1.04 -0.08 0.00 -1.82 0.00 0.00 55.36 53.58 1ba9 s GLN 15 Cb -1.13 -0.26 0.08 0.00 -1.09 0.00 0.00 33.01 30.61 1ba9 s GLN 15 CO 0.55 0.02 0.44 0.20 -1.32 0.00 0.00 175.29 175.18 1ba9 s GLY 16 N -2.28 -0.38 -0.99 2.60 0.00 -0.46 0.16 107.32 105.96 1ba9 s GLY 16 Ca 0.01 1.59 -0.18 0.00 0.00 0.00 0.00 44.72 46.14 1ba9 s GLY 16 CO -0.02 2.23 1.21 -0.42 0.00 0.00 0.00 173.10 176.09 1ba9 s ILE 17 N 2.23 4.76 0.47 0.90 1.01 -1.00 -0.15 121.20 129.42 1ba9 s ILE 17 Ca -0.05 -1.78 -0.21 0.00 0.00 0.00 0.00 60.65 58.61 1ba9 s ILE 17 Cb -0.11 -4.82 -0.08 0.00 0.01 0.00 0.00 42.46 37.46 1ba9 s ILE 17 CO -0.13 -1.55 1.07 -0.63 0.00 0.00 0.00 174.94 173.70 1ba9 s ILE 18 N 2.54 3.59 0.00 2.92 -1.09 0.01 -2.92 121.20 126.24 1ba9 s ILE 18 Ca 0.35 1.07 0.03 0.00 -2.23 0.00 0.00 60.65 59.87 1ba9 s ILE 18 Cb -0.04 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1ba9 s ILE 18 CO -0.07 -0.13 -0.09 0.20 -1.23 0.00 0.00 174.94 173.61 1ba9 s ASN 19 N -1.76 1.07 -0.33 3.58 0.02 0.34 -0.94 114.94 116.92 1ba9 s ASN 19 Ca 0.65 -0.23 0.02 0.00 -1.02 0.00 0.00 52.86 52.28 1ba9 s ASN 19 Cb -0.21 -0.10 0.10 0.00 0.02 0.00 0.00 41.25 41.07 1ba9 s ASN 19 CO 0.25 0.06 0.07 -0.36 0.02 0.00 0.00 177.10 177.14 1ba9 s PHE 20 N -0.40 3.11 0.46 2.20 0.08 -0.06 -0.42 117.98 122.95 1ba9 s PHE 20 Ca 0.02 -2.60 -0.14 0.00 0.12 0.00 0.00 56.93 54.33 1ba9 s PHE 20 Cb -0.05 -2.54 -0.07 0.00 -0.57 0.00 0.00 43.02 39.79 1ba9 s PHE 20 CO -0.00 -0.93 0.89 -2.00 -0.10 0.00 0.00 175.22 173.08 1ba9 s GLU 21 N 1.13 3.87 0.24 0.44 2.12 0.34 -0.34 118.70 126.50 1ba9 s GLU 21 Ca 0.11 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1ba9 s GLU 21 Cb -0.18 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.95 1ba9 s GLU 21 CO -0.14 -0.17 0.00 1.04 -0.54 0.00 0.00 175.26 175.46 1ba9 n GLN 22 N -1.45 0.00 0.00 4.30 1.13 -1.23 -1.10 117.38 119.02 1ba9 n GLN 22 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1ba9 n GLN 22 Cb 0.54 -0.09 0.00 0.00 0.11 0.00 0.00 30.24 30.80 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ba9 n LYS 23 N -3.41 0.00 0.11 -1.09 4.81 -1.23 -4.14 118.16 113.21 1ba9 n LYS 23 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1ba9 n LYS 23 Cb 0.01 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.06 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 4.39 -1.93 -3.45 114.58 115.22 1ba9 h GLU 24 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ba9 h GLU 24 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ba9 h GLU 24 CO 0.00 0.32 0.00 0.45 -1.16 0.00 0.00 179.01 178.62 1ba9 n SER 25 N -3.04 0.00 -0.47 1.42 2.88 -1.26 -4.49 113.62 108.66 1ba9 n SER 25 Ca -0.02 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.59 1ba9 n SER 25 Cb 0.73 -0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.82 1.80 -3.97 -3.46 3.02 -1.26 -4.54 115.26 107.67 1ba9 n ASN 26 Ca 0.00 -3.38 -0.17 0.00 -0.03 0.00 0.00 54.58 51.00 1ba9 n ASN 26 Cb 0.00 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.06 2.57 3.72 7.41 0.00 -1.26 -5.07 105.19 111.51 1ba9 n GLY 27 Ca 0.16 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1ba9 n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 28 N -1.53 2.69 -2.92 1.61 -0.04 -1.26 -4.95 135.00 128.59 1ba9 n PRO 28 Ca 0.02 0.96 -0.40 0.00 -0.04 0.00 0.00 63.50 64.05 1ba9 n PRO 28 Cb 0.43 -2.77 -0.05 0.00 -0.04 0.00 0.00 33.50 31.06 1ba9 n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba9 s VAL 29 N 0.65 4.67 -0.33 0.52 1.01 0.32 -4.58 120.40 122.66 1ba9 s VAL 29 Ca 0.71 1.74 -0.10 0.00 0.00 0.00 0.00 61.98 64.33 1ba9 s VAL 29 Cb -0.52 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1ba9 s VAL 29 CO 0.40 0.35 0.18 -0.54 0.00 0.00 0.00 175.10 175.49 1ba9 s LYS 30 N -0.06 3.21 -0.46 2.72 -0.14 -0.26 -0.76 119.74 124.00 1ba9 s LYS 30 Ca 0.41 -0.81 -0.21 0.00 -1.36 0.00 0.00 55.97 53.99 1ba9 s LYS 30 Cb -0.21 -3.64 0.03 0.00 -1.68 0.00 0.00 37.83 32.33 1ba9 s LYS 30 CO 0.25 -0.50 0.68 0.08 -0.76 0.00 0.00 175.35 175.09 1ba9 s VAL 31 N 1.61 4.78 0.28 3.17 1.01 0.94 -0.50 120.40 131.69 1ba9 s VAL 31 Ca 0.04 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.19 1ba9 s VAL 31 Cb -0.18 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1ba9 s VAL 31 CO 0.07 -0.67 0.05 0.26 0.00 0.00 0.00 175.10 174.80 1ba9 s TRP 32 N 2.93 2.74 0.09 5.22 0.51 0.44 -0.51 118.94 130.35 1ba9 s TRP 32 Ca 0.23 -0.24 -0.20 0.00 -2.12 0.00 0.00 56.10 53.77 1ba9 s TRP 32 Cb -0.14 -1.30 0.07 0.00 -0.81 0.00 0.00 33.47 31.28 1ba9 s TRP 32 CO 0.19 0.56 0.92 0.41 -0.51 0.00 0.00 176.95 178.51 1ba9 n GLY 33 N -0.98 0.57 3.14 0.98 0.00 -0.79 -0.51 105.19 107.60 1ba9 n GLY 33 Ca -0.06 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.92 1ba9 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 34 N -3.11 -1.28 0.89 1.61 1.04 -1.15 -0.64 113.70 111.06 1ba9 s SER 34 Ca 0.21 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 1ba9 s SER 34 Cb -0.02 1.76 0.12 0.00 0.10 0.00 0.00 66.02 67.98 1ba9 s SER 34 CO 0.03 -0.21 1.09 -0.51 0.98 0.00 0.00 173.24 174.62 1ba9 s ILE 35 N 2.60 2.66 -0.38 -1.02 2.07 -0.33 -2.37 121.20 124.43 1ba9 s ILE 35 Ca 0.15 0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.66 1ba9 s ILE 35 Cb -0.06 -2.75 0.17 0.00 0.13 0.00 0.00 42.46 39.95 1ba9 s ILE 35 CO -0.21 -0.28 0.49 -0.75 -1.91 0.00 0.00 174.94 172.29 1ba9 s LYS 36 N -4.98 0.70 0.00 3.50 2.20 0.12 -3.91 119.74 117.37 1ba9 s LYS 36 Ca 0.63 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1ba9 s LYS 36 Cb -0.17 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 1ba9 s LYS 36 CO 0.56 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1ba9 n GLY 37 N 4.43 0.05 1.33 5.54 0.00 -0.34 -2.62 105.19 113.58 1ba9 n GLY 37 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.55 0.99 7.99 -0.83 -4.59 117.00 116.01 1ba9 n LEU 38 Ca 0.00 -0.44 -0.24 0.00 -0.01 0.00 0.00 56.01 55.32 1ba9 n LEU 38 Cb 0.00 -0.39 -0.09 0.00 -0.11 0.00 0.00 43.42 42.83 1ba9 n LEU 38 CO 0.00 -1.51 -0.42 0.28 -1.51 0.00 0.00 177.39 174.23 1ba9 s THR 39 N -1.73 2.93 0.65 -5.08 -1.32 -1.26 -4.11 115.64 105.72 1ba9 s THR 39 Ca 0.27 -2.10 -0.17 0.00 -1.21 0.00 0.00 61.69 58.48 1ba9 s THR 39 Cb -0.03 -2.53 -0.09 0.00 -1.51 0.00 0.00 72.50 68.35 1ba9 s THR 39 CO 0.21 -0.33 0.28 -1.84 -2.21 0.00 0.00 174.62 170.73 1ba9 n GLU 40 N -0.58 0.27 0.00 7.08 0.00 -1.22 -4.65 120.64 121.55 1ba9 n GLU 40 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1ba9 n GLU 40 Cb 0.59 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.48 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 2.02 -2.52 3.84 -1.84 0.00 -1.07 -4.86 105.19 100.75 1ba9 n GLY 41 Ca 0.09 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1ba9 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 42 N 0.00 4.33 -0.06 0.99 1.02 -1.26 -0.78 118.68 122.92 1ba9 s LEU 42 Ca 0.00 1.14 0.00 0.00 0.02 0.00 0.00 54.13 55.29 1ba9 s LEU 42 Cb 0.00 -3.36 0.02 0.00 0.02 0.00 0.00 46.19 42.87 1ba9 s LEU 42 CO 0.00 0.08 -0.04 -1.00 0.02 0.00 0.00 176.35 175.41 1ba9 s HIS 43 N -1.50 0.85 -0.27 0.29 3.76 0.44 -1.40 115.29 117.45 1ba9 s HIS 43 Ca 0.39 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.74 1ba9 s HIS 43 Cb -0.15 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.74 1ba9 s HIS 43 CO 0.19 -0.27 1.37 0.20 -0.85 0.00 0.00 174.74 175.38 1ba9 s GLY 44 N 1.29 1.37 -0.25 -2.22 0.00 -0.17 -0.57 107.32 106.78 1ba9 s GLY 44 Ca -0.05 0.22 -0.09 0.00 0.00 0.00 0.00 44.72 44.80 1ba9 s GLY 44 CO -0.02 2.67 0.13 -1.36 0.00 0.00 0.00 173.10 174.52 1ba9 s PHE 45 N 4.48 3.17 0.08 1.90 0.40 0.37 -2.90 117.98 125.49 1ba9 s PHE 45 Ca 0.60 -0.10 -0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1ba9 s PHE 45 Cb -0.19 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 1ba9 s PHE 45 CO 0.24 -0.20 0.13 -1.01 0.70 0.00 0.00 175.22 175.08 1ba9 s HIS 46 N 1.51 0.26 -0.56 0.36 3.76 0.02 -1.37 115.29 119.27 1ba9 s HIS 46 Ca 0.06 -0.72 -0.23 0.00 -0.15 0.00 0.00 55.06 54.02 1ba9 s HIS 46 Cb -0.15 -0.15 0.05 0.00 1.11 0.00 0.00 32.58 33.43 1ba9 s HIS 46 CO 0.06 -0.50 0.91 0.08 -0.85 0.00 0.00 174.74 174.44 1ba9 s VAL 47 N -3.88 4.43 0.40 -0.90 1.01 0.08 -0.51 120.40 121.03 1ba9 s VAL 47 Ca 0.06 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 1ba9 s VAL 47 Cb 0.06 -4.53 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 1ba9 s VAL 47 CO -0.10 -1.13 0.95 -1.00 0.00 0.00 0.00 175.10 173.81 1ba9 s HIS 48 N 3.82 3.41 -1.30 5.22 3.76 -0.64 -1.60 115.29 127.95 1ba9 s HIS 48 Ca 0.27 1.66 -0.16 0.00 -0.15 0.00 0.00 55.06 56.68 1ba9 s HIS 48 Cb -0.14 -2.87 0.01 0.00 1.11 0.00 0.00 32.58 30.68 1ba9 s HIS 48 CO 0.17 -0.04 2.09 -1.91 -0.85 0.00 0.00 174.74 174.20 1ba9 n GLU 49 N -0.32 2.62 0.01 1.40 2.13 -0.45 -3.70 120.64 122.34 1ba9 n GLU 49 Ca 0.06 -2.57 -0.02 0.00 0.66 0.00 0.00 57.16 55.29 1ba9 n GLU 49 Cb 0.53 -3.28 -0.01 0.00 0.27 0.00 0.00 31.44 28.96 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 6.72 0.10 0.00 5.31 1.02 -1.26 -2.09 120.64 130.44 1ba9 n GLU 50 Ca 0.51 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1ba9 n GLU 50 Cb 0.41 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1ba9 n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ba9 n GLU 51 N -3.46 0.00 -1.53 3.49 1.02 -1.26 -3.30 120.64 115.60 1ba9 n GLU 51 Ca -0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 1ba9 n GLU 51 Cb 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.48 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ba9 n ASP 52 N 1.01 3.15 0.00 1.62 2.03 -1.26 -3.13 116.55 119.98 1ba9 n ASP 52 Ca 0.00 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.56 1ba9 n ASP 52 Cb 0.00 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 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 8.00 0.00 -2.82 1.67 4.05 -1.21 -4.99 115.26 119.96 1ba9 n ASN 53 Ca 0.50 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 55.43 1ba9 n ASN 53 Cb 0.41 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.39 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1ba9 n THR 54 N -1.25 1.34 -0.02 -0.44 5.66 -1.18 -4.64 114.28 113.75 1ba9 n THR 54 Ca 0.00 -0.76 0.15 0.00 -3.05 0.00 0.00 64.05 60.38 1ba9 n THR 54 Cb 0.00 -1.81 0.58 0.00 -1.55 0.00 0.00 70.33 67.55 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 6.21 2.19 -0.77 1.79 0.00 -1.94 -3.18 119.26 123.56 1ba9 h ALA 55 Ca 0.22 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.79 1ba9 h ALA 55 Cb 0.26 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 17.72 1ba9 h ALA 55 CO 0.95 -0.32 -0.86 0.41 0.00 0.00 0.00 179.25 179.43 1ba9 n GLY 56 N -1.57 1.72 3.84 0.00 0.00 -1.26 -5.00 105.19 102.92 1ba9 n GLY 56 Ca 0.08 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.51 0.00 -0.35 0.00 5.66 -1.26 -4.93 114.28 108.90 1ba9 n THR 58 Ca -0.11 -0.01 0.05 0.00 -3.05 0.00 0.00 64.05 60.92 1ba9 n THR 58 Cb 0.59 -1.38 0.20 0.00 -1.55 0.00 0.00 70.33 68.20 1ba9 n THR 58 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ba9 h SER 59 N -0.66 0.90 0.00 1.09 0.87 -1.96 -3.45 113.55 110.34 1ba9 h SER 59 Ca -0.01 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ba9 h SER 59 Cb 0.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ba9 h SER 59 CO 0.01 0.51 0.00 0.00 -0.53 0.00 0.00 176.83 176.82 1ba9 n ALA 60 N -2.36 0.00 -3.57 6.23 0.00 -1.26 -4.63 120.51 114.92 1ba9 n ALA 60 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 1ba9 n ALA 60 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ba9 s GLY 61 N 0.00 -0.53 0.00 0.00 0.00 -0.89 -4.95 107.32 100.95 1ba9 s GLY 61 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 44.72 46.40 1ba9 s GLY 61 CO 0.00 1.29 0.00 -1.55 0.00 0.00 0.00 173.10 172.84 1ba9 n PRO 62 N 1.62 0.00 -1.63 2.90 -0.04 -1.26 -2.70 135.00 133.89 1ba9 n PRO 62 Ca -0.16 0.00 -0.64 0.00 -0.04 0.00 0.00 63.50 62.66 1ba9 n PRO 62 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 1.69 -1.78 0.54 8.25 -1.26 -1.33 115.22 121.32 1ba9 n HIS 63 Ca 0.00 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 1ba9 n HIS 63 Cb 0.00 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 28.78 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 3.91 1.89 -0.37 4.41 2.19 -0.63 -4.79 117.98 124.59 1ba9 s PHE 64 Ca 1.07 -0.07 0.13 0.00 0.33 0.00 0.00 56.93 58.39 1ba9 s PHE 64 Cb -1.39 -4.12 0.43 0.00 -1.31 0.00 0.00 43.02 36.62 1ba9 s PHE 64 CO 0.74 -4.77 0.96 0.27 1.83 0.00 0.00 175.22 174.25 1ba9 n ASN 65 N 6.48 2.37 0.22 6.13 6.94 -1.26 -3.03 115.26 133.11 1ba9 n ASN 65 Ca 0.18 -3.07 0.07 0.00 -0.02 0.00 0.00 54.58 51.74 1ba9 n ASN 65 Cb 0.40 -0.53 0.53 0.00 -2.36 0.00 0.00 39.78 37.82 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1ba9 h PRO 66 N 2.89 0.00 0.00 -0.53 0.13 -1.91 0.11 132.00 132.69 1ba9 h PRO 66 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1ba9 h PRO 66 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ba9 h PRO 66 CO 0.61 0.23 0.00 1.28 -0.23 0.00 0.00 178.00 179.89 1ba9 n LEU 67 N -3.95 0.63 -2.74 1.56 4.77 -1.26 -4.98 117.00 111.03 1ba9 n LEU 67 Ca -0.02 0.58 -0.03 0.00 -0.03 0.00 0.00 56.01 56.52 1ba9 n LEU 67 Cb 0.31 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1ba9 n LEU 67 CO 0.35 -0.25 0.19 -0.24 -1.33 0.00 0.00 177.39 176.10 1ba9 n SER 68 N -2.12 -6.98 -3.77 -1.43 2.88 0.36 -5.05 113.62 97.51 1ba9 n SER 68 Ca 0.05 0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.62 1ba9 n SER 68 Cb 0.36 -4.69 -0.10 0.00 -0.75 0.00 0.00 64.21 59.03 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 -2.72 0.53 0.97 -1.46 0.52 -1.26 -5.10 118.95 110.43 1ba9 s ARG 69 Ca 0.09 0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.21 1ba9 s ARG 69 Cb -0.03 0.24 0.17 0.00 0.52 0.00 0.00 34.95 35.86 1ba9 s ARG 69 CO 0.64 -0.12 1.10 0.15 0.02 0.00 0.00 175.30 177.09 1ba9 s LYS 70 N -0.75 0.66 0.51 3.54 -0.14 -1.26 -4.07 119.74 118.22 1ba9 s LYS 70 Ca -0.08 0.49 -0.22 0.00 -1.36 0.00 0.00 55.97 54.80 1ba9 s LYS 70 Cb -0.04 -1.77 -0.06 0.00 -1.68 0.00 0.00 37.83 34.28 1ba9 s LYS 70 CO 0.02 -2.57 1.29 -1.58 -0.76 0.00 0.00 175.35 171.75 1ba9 s HIS 71 N -3.03 2.50 -0.39 3.18 2.46 -0.63 -2.24 115.29 117.13 1ba9 s HIS 71 Ca 0.65 1.43 0.00 0.00 0.47 0.00 0.00 55.06 57.61 1ba9 s HIS 71 Cb -0.18 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1ba9 s HIS 71 CO 0.57 -2.41 0.00 0.41 -2.47 0.00 0.00 174.74 170.84 1ba9 n GLY 72 N 0.62 -1.25 3.98 1.59 0.00 -1.24 -4.50 105.19 104.40 1ba9 n GLY 72 Ca 0.09 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.66 0.48 -0.02 0.00 -1.09 -4.31 107.32 104.05 1ba9 s GLY 73 Ca 0.00 -1.35 0.15 0.00 0.00 0.00 0.00 44.72 43.52 1ba9 s GLY 73 CO 0.00 -1.20 2.07 -0.56 0.00 0.00 0.00 173.10 173.41 1ba9 h PRO 74 N 0.60 0.03 -0.47 2.90 0.13 -1.86 -0.38 132.00 132.95 1ba9 h PRO 74 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ba9 h PRO 74 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ba9 h PRO 74 CO 0.53 0.11 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 1ba9 n LYS 75 N -4.43 2.57 -2.67 0.86 4.76 -1.26 -4.97 118.16 113.02 1ba9 n LYS 75 Ca -0.02 -2.38 -0.23 0.00 -2.87 0.00 0.00 58.31 52.80 1ba9 n LYS 75 Cb 0.17 -1.53 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.38 5.46 0.34 4.39 1.01 -0.15 -5.01 116.67 121.34 1ba9 s ASP 76 Ca 0.41 0.26 0.17 0.00 0.71 0.00 0.00 52.55 54.11 1ba9 s ASP 76 Cb 0.24 -1.26 0.55 0.00 1.01 0.00 0.00 42.92 43.45 1ba9 s ASP 76 CO 0.32 -1.03 1.67 1.05 0.21 0.00 0.00 175.17 177.40 1ba9 h GLU 77 N 0.07 0.00 -6.05 8.23 4.11 -1.93 -3.44 114.58 115.56 1ba9 h GLU 77 Ca -0.44 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.32 1ba9 h GLU 77 Cb 1.28 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 1ba9 h GLU 77 CO 0.56 0.44 -0.61 -1.21 0.07 0.00 0.00 179.01 178.26 1ba9 s GLU 78 N -3.51 2.94 0.00 1.06 2.02 -1.26 -5.07 118.70 114.88 1ba9 s GLU 78 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1ba9 s GLU 78 Cb 0.11 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1ba9 s GLU 78 CO 0.71 0.65 0.00 2.89 0.02 0.00 0.00 175.26 179.52 1ba9 n ARG 79 N 1.44 0.00 0.00 1.61 1.85 -0.95 -2.67 116.66 117.94 1ba9 n ARG 79 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1ba9 n ARG 79 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N -0.04 0.00 0.15 2.89 8.25 -1.21 -4.65 115.22 120.62 1ba9 n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba9 n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba9 n HIS 80 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1ba9 n VAL 81 N -0.47 0.00 -1.35 1.59 3.14 -1.17 -4.30 118.33 115.77 1ba9 n VAL 81 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 1ba9 n VAL 81 Cb 0.00 -0.39 0.01 0.00 -1.06 0.00 0.00 33.84 32.40 1ba9 n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ba9 n GLY 82 N 1.03 4.71 3.28 7.55 0.00 -1.25 -4.83 105.19 115.67 1ba9 n GLY 82 Ca 0.00 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 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 0.20 5.55 -2.50 1.61 9.92 -1.26 -0.74 116.55 129.32 1ba9 n ASP 83 Ca 0.46 -3.09 -0.24 0.00 -0.53 0.00 0.00 54.79 51.39 1ba9 n ASP 83 Cb 0.53 -1.43 -0.09 0.00 -0.64 0.00 0.00 41.12 39.50 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 3.40 6.42 0.00 0.64 4.77 -0.47 -3.53 117.00 128.22 1ba9 n LEU 84 Ca 0.29 -3.90 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 1ba9 n LEU 84 Cb 0.39 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ba9 n LEU 84 CO 0.59 1.78 0.00 0.61 -1.33 0.00 0.00 177.39 179.04 1ba9 n GLY 85 N 1.69 1.32 3.14 -0.72 0.00 -1.24 -4.14 105.19 105.23 1ba9 n GLY 85 Ca 0.51 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.76 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 -2.68 0.19 0.38 1.61 2.20 -1.26 -0.48 114.94 114.91 1ba9 s ASN 86 Ca 0.00 -0.61 0.08 0.00 -0.94 0.00 0.00 52.86 51.39 1ba9 s ASN 86 Cb 0.00 0.26 -0.05 0.00 -2.00 0.00 0.00 41.25 39.46 1ba9 s ASN 86 CO 0.00 -0.58 0.12 0.68 -2.94 0.00 0.00 177.10 174.38 1ba9 s VAL 87 N -3.09 2.51 -0.17 3.54 -7.23 0.27 -4.85 120.40 111.39 1ba9 s VAL 87 Ca -0.01 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1ba9 s VAL 87 Cb 0.02 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 1ba9 s VAL 87 CO -0.07 -0.09 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.62 1ba9 s THR 88 N -2.55 2.92 0.21 5.32 2.01 -1.26 -0.42 115.64 121.86 1ba9 s THR 88 Ca 0.38 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.49 1ba9 s THR 88 Cb 0.02 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.19 1ba9 s THR 88 CO 0.21 0.50 0.74 0.00 -0.69 0.00 0.00 174.62 175.38 1ba9 s ALA 89 N 0.87 3.42 1.05 7.40 0.00 0.04 -4.23 121.76 130.30 1ba9 s ALA 89 Ca -0.03 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 1ba9 s ALA 89 Cb -0.15 -2.87 0.21 0.00 0.00 0.00 0.00 23.12 20.32 1ba9 s ALA 89 CO -0.00 0.31 1.09 0.34 0.00 0.00 0.00 175.76 177.50 1ba9 s ASP 90 N -1.50 2.19 0.40 0.00 2.15 0.46 -2.61 116.67 117.76 1ba9 s ASP 90 Ca 0.41 1.11 0.26 0.00 0.43 0.00 0.00 52.55 54.76 1ba9 s ASP 90 Cb -0.18 -1.73 1.44 0.00 -0.30 0.00 0.00 42.92 42.14 1ba9 s ASP 90 CO 0.22 -3.39 1.81 0.07 -0.17 0.00 0.00 175.17 173.70 1ba9 h LYS 91 N -2.07 0.00 -0.01 4.34 2.10 -1.96 0.11 116.57 119.08 1ba9 h LYS 91 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1ba9 h LYS 91 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1ba9 h LYS 91 CO 0.55 0.00 -0.39 -0.25 -2.00 0.00 0.00 179.45 177.35 1ba9 n ASP 92 N -2.44 1.35 -0.21 7.07 8.00 -1.26 -4.83 116.55 124.22 1ba9 n ASP 92 Ca -0.02 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1ba9 n ASP 92 Cb 0.06 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ba9 n GLY 93 N 1.39 0.62 3.09 0.44 0.00 0.40 -4.70 105.19 106.42 1ba9 n GLY 93 Ca 0.10 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.42 2.16 -0.45 1.61 1.01 -1.25 -1.20 120.40 119.85 1ba9 s VAL 94 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 1ba9 s VAL 94 Cb 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.30 1ba9 s VAL 94 CO 0.00 0.17 0.35 0.00 0.00 0.00 0.00 175.10 175.62 1ba9 s ALA 95 N 1.17 3.48 -0.10 5.51 0.00 -1.25 -0.40 121.76 130.16 1ba9 s ALA 95 Ca -0.04 -2.06 -0.26 0.00 0.00 0.00 0.00 51.96 49.61 1ba9 s ALA 95 Cb -0.17 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1ba9 s ALA 95 CO -0.08 -1.66 0.82 -0.51 0.00 0.00 0.00 175.76 174.32 1ba9 s ASP 96 N 2.34 7.04 0.08 0.00 1.01 -1.26 -1.19 116.67 124.70 1ba9 s ASP 96 Ca 0.04 1.27 0.03 0.00 0.71 0.00 0.00 52.55 54.60 1ba9 s ASP 96 Cb -0.23 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1ba9 s ASP 96 CO 0.06 -0.28 0.05 -0.69 0.21 0.00 0.00 175.17 174.52 1ba9 s VAL 97 N 1.48 4.36 -0.42 -1.27 1.01 0.19 -4.80 120.40 120.96 1ba9 s VAL 97 Ca 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1ba9 s VAL 97 Cb -0.18 -3.09 0.22 0.00 0.00 0.00 0.00 36.38 33.34 1ba9 s VAL 97 CO 0.17 0.14 0.98 -1.54 0.00 0.00 0.00 175.10 174.85 1ba9 n SER 98 N 0.53 -2.27 -3.96 3.32 3.41 -1.19 -1.88 113.62 111.58 1ba9 n SER 98 Ca -0.10 -2.04 -0.23 0.00 -0.26 0.00 0.00 58.87 56.24 1ba9 n SER 98 Cb 0.52 1.21 -0.08 0.00 -0.26 0.00 0.00 64.21 65.59 1ba9 n SER 98 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ba9 s ILE 99 N 0.76 0.45 0.03 -1.33 2.07 0.33 -5.00 121.20 118.51 1ba9 s ILE 99 Ca 0.27 -2.00 -0.10 0.00 -1.41 0.00 0.00 60.65 57.41 1ba9 s ILE 99 Cb 0.12 -2.41 0.01 0.00 0.13 0.00 0.00 42.46 40.30 1ba9 s ILE 99 CO -0.11 0.00 0.22 -1.83 -1.91 0.00 0.00 174.94 171.31 1ba9 s GLU 100 N -3.68 0.68 0.06 3.50 -1.05 -1.26 -0.04 118.70 116.90 1ba9 s GLU 100 Ca 0.29 -0.53 -0.03 0.00 -0.15 0.00 0.00 54.97 54.55 1ba9 s GLU 100 Cb 0.03 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 1ba9 s GLU 100 CO 0.17 -0.19 0.04 -0.51 0.95 0.00 0.00 175.26 175.72 1ba9 s ASP 101 N -1.89 0.35 -0.14 0.83 1.01 0.07 -4.94 116.67 111.95 1ba9 s ASP 101 Ca -0.07 -0.84 0.19 0.00 0.71 0.00 0.00 52.55 52.54 1ba9 s ASP 101 Cb -0.02 0.23 0.44 0.00 1.01 0.00 0.00 42.92 44.58 1ba9 s ASP 101 CO -0.02 -0.61 1.18 -1.20 0.21 0.00 0.00 175.17 174.73 1ba9 n SER 102 N 0.20 1.79 0.01 0.27 7.64 -1.26 -0.52 113.62 121.75 1ba9 n SER 102 Ca -0.15 -2.81 -0.02 0.00 1.01 0.00 0.00 58.87 56.89 1ba9 n SER 102 Cb 0.61 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1ba9 n SER 102 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ba9 n VAL 103 N -0.33 1.07 -1.37 0.44 3.14 -1.26 -5.05 118.33 114.97 1ba9 n VAL 103 Ca 0.15 0.30 -0.29 0.00 -2.96 0.00 0.00 64.34 61.54 1ba9 n VAL 103 Cb 0.93 -1.66 0.14 0.00 -1.06 0.00 0.00 33.84 32.19 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1ba9 s ILE 104 N -2.00 2.42 0.25 1.55 -0.00 -1.26 -4.83 121.20 117.33 1ba9 s ILE 104 Ca -0.06 0.14 -0.21 0.00 -0.00 0.00 0.00 60.65 60.52 1ba9 s ILE 104 Cb 0.01 -2.76 0.05 0.00 -0.00 0.00 0.00 42.46 39.76 1ba9 s ILE 104 CO 0.09 -0.18 0.85 -0.44 -0.00 0.00 0.00 174.94 175.26 1ba9 s SER 105 N -3.71 -0.14 -0.13 4.36 0.01 -1.26 -4.71 113.70 108.11 1ba9 s SER 105 Ca 0.63 -0.68 0.11 0.00 1.31 0.00 0.00 55.95 57.32 1ba9 s SER 105 Cb -0.16 0.66 0.56 0.00 0.21 0.00 0.00 66.02 67.28 1ba9 s SER 105 CO 0.55 -1.25 1.39 0.18 0.41 0.00 0.00 173.24 174.52 1ba9 n LEU 106 N -0.51 4.04 -4.65 2.44 4.32 -1.26 -0.58 117.00 120.79 1ba9 n LEU 106 Ca -0.05 -2.05 -0.35 0.00 -0.02 0.00 0.00 56.01 53.54 1ba9 n LEU 106 Cb 0.60 -0.57 -0.10 0.00 -1.62 0.00 0.00 43.42 41.72 1ba9 n LEU 106 CO 0.18 0.56 -0.33 -0.44 -1.22 0.00 0.00 177.39 176.13 1ba9 s SER 107 N -0.64 5.04 0.00 -1.43 0.01 -1.26 -4.74 113.70 110.68 1ba9 s SER 107 Ca 0.38 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1ba9 s SER 107 Cb 0.27 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 65.13 1ba9 s SER 107 CO 0.14 0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1ba9 n GLY 108 N 2.15 0.00 0.00 3.44 0.00 -1.26 0.26 105.19 109.78 1ba9 n GLY 108 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.80 -0.00 0.00 1.61 9.92 -1.26 -1.96 116.55 121.06 1ba9 n ASP 109 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1ba9 n ASP 109 Cb 0.00 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.18 0.00 -0.03 1.24 8.25 -0.59 -5.07 115.22 116.84 1ba9 n HIS 110 Ca 0.00 -0.21 -0.01 0.00 -0.26 0.00 0.00 57.72 57.24 1ba9 n HIS 110 Cb 0.00 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.21 0.01 0.29 0.41 2.88 0.14 -4.49 113.62 112.64 1ba9 n SER 111 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1ba9 n SER 111 Cb 0.13 -0.02 0.79 0.00 -0.75 0.00 0.00 64.21 64.37 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 0.17 0.09 -2.27 2.46 3.07 -1.14 -3.43 117.51 116.46 1ba9 h ILE 112 Ca -0.00 -0.44 -0.55 0.00 1.55 0.00 0.00 64.86 65.42 1ba9 h ILE 112 Cb 0.03 1.40 0.02 0.00 -0.27 0.00 0.00 36.82 38.00 1ba9 h ILE 112 CO 0.03 0.03 1.29 -0.38 -1.05 0.00 0.00 178.15 178.07 1ba9 n ILE 113 N -3.16 0.68 0.00 0.16 2.08 -1.26 -0.35 119.36 117.51 1ba9 n ILE 113 Ca -0.00 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1ba9 n ILE 113 Cb 0.26 -2.37 0.00 0.00 -0.75 0.00 0.00 39.64 36.78 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 4.82 2.74 3.80 7.39 0.00 0.02 -5.01 105.19 118.95 1ba9 n GLY 114 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.44 1.80 -0.16 1.61 0.52 0.52 -4.09 118.95 118.71 1ba9 s ARG 115 Ca 0.00 0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 55.71 1ba9 s ARG 115 Cb 0.00 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 1ba9 s ARG 115 CO 0.00 -1.80 -0.05 0.99 0.02 0.00 0.00 175.30 174.46 1ba9 s THR 116 N -3.20 3.72 -0.10 0.02 2.01 -1.24 -0.93 115.64 115.92 1ba9 s THR 116 Ca 0.62 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 1ba9 s THR 116 Cb -0.14 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1ba9 s THR 116 CO 0.54 0.49 0.03 -0.22 -0.69 0.00 0.00 174.62 174.77 1ba9 s LEU 117 N 0.47 3.72 0.04 4.42 2.96 0.47 -1.62 118.68 129.14 1ba9 s LEU 117 Ca -0.04 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1ba9 s LEU 117 Cb -0.15 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1ba9 s LEU 117 CO 0.03 0.36 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.57 1ba9 s VAL 118 N -0.77 1.25 -0.04 1.68 1.01 0.34 -1.04 120.40 122.82 1ba9 s VAL 118 Ca 0.12 -1.04 0.14 0.00 0.00 0.00 0.00 61.98 61.20 1ba9 s VAL 118 Cb -0.12 -1.12 -0.21 0.00 0.00 0.00 0.00 36.38 34.94 1ba9 s VAL 118 CO 0.02 0.06 0.25 0.55 0.00 0.00 0.00 175.10 175.99 1ba9 n VAL 119 N 1.91 0.21 -1.54 2.92 3.14 -1.23 -0.80 118.33 122.93 1ba9 n VAL 119 Ca -0.18 -0.38 0.01 0.00 -2.96 0.00 0.00 64.34 60.83 1ba9 n VAL 119 Cb 0.54 -0.01 -0.00 0.00 -1.06 0.00 0.00 33.84 33.31 1ba9 n VAL 119 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ba9 n HIS 120 N -2.11 -4.21 0.09 1.45 8.25 -1.14 -1.33 115.22 116.22 1ba9 n HIS 120 Ca -0.07 2.28 -0.13 0.00 -0.26 0.00 0.00 57.72 59.54 1ba9 n HIS 120 Cb 0.50 -3.56 -0.08 0.00 1.12 0.00 0.00 29.99 27.97 1ba9 n HIS 120 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ba9 h GLU 121 N 0.09 -0.18 0.00 -0.41 4.22 -0.63 -3.39 114.58 114.28 1ba9 h GLU 121 Ca -0.01 0.01 -0.41 0.00 0.08 0.00 0.00 59.36 59.03 1ba9 h GLU 121 Cb 0.97 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1ba9 h GLU 121 CO 0.00 0.05 -0.20 1.63 -2.18 0.00 0.00 179.01 178.32 1ba9 n LYS 122 N -5.08 0.91 -1.80 1.92 4.76 -1.25 -4.83 118.16 112.79 1ba9 n LYS 122 Ca -0.09 -2.45 -0.38 0.00 -2.87 0.00 0.00 58.31 52.52 1ba9 n LYS 122 Cb 0.17 0.26 0.04 0.00 -1.84 0.00 0.00 35.03 33.67 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 -2.56 2.80 -0.22 7.82 0.00 -0.50 -1.00 121.76 128.10 1ba9 s ALA 123 Ca 0.22 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 1ba9 s ALA 123 Cb -0.02 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1ba9 s ALA 123 CO 0.14 -1.36 1.00 0.34 0.00 0.00 0.00 175.76 175.88 1ba9 s ASP 124 N -0.99 7.06 0.00 0.00 2.15 -1.26 -3.70 116.67 119.93 1ba9 s ASP 124 Ca 0.72 1.33 0.00 0.00 0.43 0.00 0.00 52.55 55.03 1ba9 s ASP 124 Cb -0.40 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.70 1ba9 s ASP 124 CO 0.47 -0.63 1.12 0.47 -0.17 0.00 0.00 175.17 176.43 1ba9 n ASP 125 N 6.17 3.22 -3.44 -0.34 8.00 0.25 -4.73 116.55 125.68 1ba9 n ASP 125 Ca 0.11 -1.93 -0.16 0.00 0.71 0.00 0.00 54.79 53.52 1ba9 n ASP 125 Cb 0.46 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.77 -0.48 0.00 0.64 4.77 -1.26 -0.43 117.00 121.01 1ba9 n LEU 126 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1ba9 n LEU 126 Cb 0.46 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1ba9 n LEU 126 CO 0.00 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1ba9 n GLY 127 N -1.81 0.19 0.00 -0.72 0.00 -1.26 -4.31 105.19 97.27 1ba9 n GLY 127 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.94 0.38 -0.27 1.61 5.02 0.43 -3.58 118.16 119.82 1ba9 n LYS 128 Ca 0.00 0.05 0.08 0.00 -2.02 0.00 0.00 58.31 56.42 1ba9 n LYS 128 Cb 0.01 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.73 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ba9 h GLY 129 N 3.93 1.11 0.00 0.72 0.00 -1.89 -3.47 103.07 103.47 1ba9 h GLY 129 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ba9 h GLY 129 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 176.54 176.90 1ba9 n GLY 130 N -1.37 0.68 3.52 4.60 0.00 -1.23 -5.04 105.19 106.35 1ba9 n GLY 130 Ca 0.16 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.43 -0.34 0.58 1.61 6.03 -1.26 -5.02 114.94 115.11 1ba9 s ASN 131 Ca 0.00 0.06 0.27 0.00 -1.03 0.00 0.00 52.86 52.16 1ba9 s ASN 131 Cb 0.00 0.35 1.49 0.00 -3.03 0.00 0.00 41.25 40.06 1ba9 s ASN 131 CO 0.00 -0.54 1.82 -0.33 -2.03 0.00 0.00 177.10 176.02 1ba9 h GLU 132 N 2.08 0.00 0.00 3.55 3.07 -1.98 0.17 114.58 121.47 1ba9 h GLU 132 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1ba9 h GLU 132 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1ba9 h GLU 132 CO 0.30 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.85 1ba9 n GLN 133 N -2.70 0.00 -0.25 2.33 0.00 -1.26 -2.89 117.38 112.60 1ba9 n GLN 133 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 56.95 1ba9 n GLN 133 Cb 0.32 -0.86 0.03 0.00 0.00 0.00 0.00 30.24 29.73 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ba9 h SER 134 N 0.00 -1.13 0.29 1.69 4.64 -1.69 0.41 113.55 117.75 1ba9 h SER 134 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1ba9 h SER 134 Cb 0.00 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1ba9 h SER 134 CO 0.00 -0.29 0.00 0.35 -0.87 0.00 0.00 176.83 176.02 1ba9 n THR 135 N -5.46 0.60 -0.12 2.95 -2.24 0.55 0.05 114.28 110.61 1ba9 n THR 135 Ca 0.07 0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.81 1ba9 n THR 135 Cb 0.37 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.30 0.59 -0.03 -0.78 4.81 -0.18 -1.61 118.16 119.66 1ba9 n LYS 136 Ca 0.07 0.16 -0.04 0.00 -0.87 0.00 0.00 58.31 57.64 1ba9 n LYS 136 Cb 0.12 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 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 -3.43 0.34 0.00 3.15 -2.24 0.13 -4.58 114.28 107.65 1ba9 n THR 137 Ca -0.44 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1ba9 n THR 137 Cb 0.93 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 3.01 0.92 2.49 3.38 0.00 0.11 -4.61 105.19 110.49 1ba9 n GLY 138 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.61 0.07 1.61 5.15 -1.26 -0.58 115.26 115.63 1ba9 n ASN 139 Ca 0.00 0.10 -0.03 0.00 -0.60 0.00 0.00 54.58 54.05 1ba9 n ASN 139 Cb 0.00 -2.46 -0.01 0.00 -0.53 0.00 0.00 39.78 36.77 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 -0.61 0.00 5.20 0.00 -1.82 -3.48 119.26 118.56 1ba9 h ALA 140 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ba9 h ALA 140 Cb 0.64 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ba9 h ALA 140 CO 0.12 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.18 1ba9 n GLY 141 N 0.21 0.95 3.57 0.00 0.00 -1.26 -3.97 105.19 104.69 1ba9 n GLY 141 Ca -0.02 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 142 N -4.00 1.82 -0.59 1.61 0.01 -1.26 -4.34 113.70 106.95 1ba9 s SER 142 Ca 0.00 1.86 -0.28 0.00 1.31 0.00 0.00 55.95 58.84 1ba9 s SER 142 Cb 0.00 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1ba9 s SER 142 CO 0.00 -3.73 1.32 -0.13 0.41 0.00 0.00 173.24 171.11 1ba9 s ARG 143 N -4.53 3.36 0.17 12.44 3.00 -1.26 -0.02 118.95 132.11 1ba9 s ARG 143 Ca 0.68 0.29 -0.16 0.00 0.00 0.00 0.00 55.73 56.54 1ba9 s ARG 143 Cb -0.24 -4.09 0.12 0.00 0.00 0.00 0.00 34.95 30.74 1ba9 s ARG 143 CO 0.62 -1.88 1.69 -0.07 0.00 0.00 0.00 175.30 175.66 1ba9 h LEU 144 N 12.69 -0.21 -8.02 2.53 -0.00 -1.93 -3.45 115.31 116.92 1ba9 h LEU 144 Ca -0.26 0.10 -0.11 0.00 -0.00 0.00 0.00 57.88 57.62 1ba9 h LEU 144 Cb 1.07 0.19 -0.14 0.00 -0.00 0.00 0.00 40.66 41.78 1ba9 h LEU 144 CO 1.19 -0.07 -0.48 0.00 -0.00 0.00 0.00 178.44 179.09 1ba9 s ALA 145 N -6.18 0.10 0.02 1.53 0.00 -1.26 -3.69 121.76 112.27 1ba9 s ALA 145 Ca -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1ba9 s ALA 145 Cb 0.14 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1ba9 s ALA 145 CO 0.71 -0.48 0.05 0.00 0.00 0.00 0.00 175.76 176.04 1ba9 s GLY 147 N -1.66 -0.24 -0.11 0.00 0.00 -0.20 -0.98 107.32 104.13 1ba9 s GLY 147 Ca -0.12 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 1ba9 s GLY 147 CO -0.01 0.19 0.02 0.14 0.00 0.00 0.00 173.10 173.43 1ba9 s VAL 148 N -1.75 4.46 -0.03 1.40 1.01 -1.25 -0.40 120.40 123.83 1ba9 s VAL 148 Ca -0.10 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1ba9 s VAL 148 Cb -0.03 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1ba9 s VAL 148 CO 0.02 0.58 0.88 -0.63 0.00 0.00 0.00 175.10 175.96 1ba9 s ILE 149 N -0.66 4.93 0.16 2.22 -1.09 -0.11 -3.98 121.20 122.67 1ba9 s ILE 149 Ca 0.11 1.83 -0.05 0.00 -2.23 0.00 0.00 60.65 60.31 1ba9 s ILE 149 Cb -0.12 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.52 1ba9 s ILE 149 CO 0.02 0.18 0.19 -0.83 -1.23 0.00 0.00 174.94 173.28 1ba9 s GLY 150 N 0.94 0.82 0.48 6.18 0.00 -0.01 -0.80 107.32 114.93 1ba9 s GLY 150 Ca 0.46 -1.22 -0.23 0.00 0.00 0.00 0.00 44.72 43.74 1ba9 s GLY 150 CO 0.24 -1.10 1.21 -0.42 0.00 0.00 0.00 173.10 173.03 1ba9 s ILE 151 N -4.03 2.86 -0.69 0.90 1.09 -1.26 -0.13 121.20 119.94 1ba9 s ILE 151 Ca 0.23 0.64 0.05 0.00 -1.10 0.00 0.00 60.65 60.47 1ba9 s ILE 151 Cb 0.05 -3.32 0.26 0.00 -1.06 0.00 0.00 42.46 38.39 1ba9 s ILE 151 CO 0.03 -0.01 0.86 0.00 -0.10 0.00 0.00 174.94 175.72 1ba9 n ALA 152 N -0.62 4.27 -0.77 9.38 0.00 -0.38 -4.56 120.51 127.83 1ba9 n ALA 152 Ca 0.08 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.74 1ba9 n ALA 152 Cb 0.47 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1ba9 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54