#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 -5.64 -1.90 0.00 -1.04 -1.26 -3.46 114.28 100.98 1ba9 n THR 2 Ca 0.00 -0.59 -0.32 0.00 -2.04 0.00 0.00 64.05 61.10 1ba9 n THR 2 Cb 0.00 -4.61 0.02 0.00 -1.82 0.00 0.00 70.33 63.92 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1ba9 s LYS 3 N -5.55 3.27 0.55 -2.82 -2.85 -1.26 -4.76 119.74 106.31 1ba9 s LYS 3 Ca 0.05 1.05 -0.04 0.00 -1.00 0.00 0.00 55.97 56.03 1ba9 s LYS 3 Cb -0.01 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1ba9 s LYS 3 CO 0.77 -0.84 0.83 0.00 0.10 0.00 0.00 175.35 176.21 1ba9 s ALA 4 N -2.74 3.44 0.08 0.59 0.00 0.57 -1.41 121.76 122.28 1ba9 s ALA 4 Ca 0.60 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.82 1ba9 s ALA 4 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1ba9 s ALA 4 CO 0.44 -0.66 -0.14 0.54 0.00 0.00 0.00 175.76 175.94 1ba9 s VAL 5 N -2.86 1.14 -0.09 0.00 0.11 0.74 -0.89 120.40 118.56 1ba9 s VAL 5 Ca 0.52 -1.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1ba9 s VAL 5 Cb -0.10 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1ba9 s VAL 5 CO 0.43 -0.28 0.01 0.00 -3.33 0.00 0.00 175.10 171.94 1ba9 s ALA 6 N -1.49 0.69 -0.75 1.54 0.00 0.00 -1.00 121.76 120.75 1ba9 s ALA 6 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 1ba9 s ALA 6 Cb -0.09 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.31 1ba9 s ALA 6 CO 0.02 -0.56 1.10 0.14 0.00 0.00 0.00 175.76 176.47 1ba9 s VAL 7 N 1.98 4.22 0.23 0.00 -7.23 -1.26 -0.69 120.40 117.65 1ba9 s VAL 7 Ca 0.04 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 1ba9 s VAL 7 Cb -0.13 -4.79 -0.10 0.00 0.56 0.00 0.00 36.38 31.93 1ba9 s VAL 7 CO -0.05 -1.60 1.46 -0.76 -0.31 0.00 0.00 175.10 173.84 1ba9 s LEU 8 N 4.31 4.38 -0.30 1.32 1.02 0.11 -4.36 118.68 125.16 1ba9 s LEU 8 Ca 0.29 2.64 -0.12 0.00 0.02 0.00 0.00 54.13 56.95 1ba9 s LEU 8 Cb -0.12 -3.62 0.17 0.00 0.02 0.00 0.00 46.19 42.65 1ba9 s LEU 8 CO 0.06 -0.72 0.97 -1.59 0.02 0.00 0.00 176.35 175.10 1ba9 s LYS 9 N -0.02 0.27 -0.06 1.70 0.00 0.25 -0.48 119.74 121.40 1ba9 s LYS 9 Ca 0.61 0.57 0.02 0.00 0.00 0.00 0.00 55.97 57.17 1ba9 s LYS 9 Cb -0.42 0.33 0.07 0.00 0.00 0.00 0.00 37.83 37.81 1ba9 s LYS 9 CO 0.40 -0.21 0.90 0.41 0.00 0.00 0.00 175.35 176.85 1ba9 n GLY 10 N 5.26 0.53 1.78 0.59 0.00 -1.24 -3.84 105.19 108.26 1ba9 n GLY 10 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 11 N -0.27 0.00 0.00 1.61 2.03 -1.01 -4.44 116.55 114.47 1ba9 n ASP 11 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1ba9 n ASP 11 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 1ba9 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 12 N 1.79 -1.33 0.17 0.27 0.00 -1.26 -4.96 105.19 99.87 1ba9 n GLY 12 Ca 0.00 0.77 0.13 0.00 0.00 0.00 0.00 46.02 46.93 1ba9 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 h PRO 13 N 0.00 0.00 -6.10 1.61 0.13 -1.96 -3.42 132.00 122.25 1ba9 h PRO 13 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 1ba9 h PRO 13 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1ba9 h PRO 13 CO 0.00 0.00 1.42 0.08 -0.23 0.00 0.00 178.00 179.27 1ba9 s VAL 14 N -3.32 3.00 0.23 1.56 1.01 -1.26 -4.57 120.40 117.05 1ba9 s VAL 14 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1ba9 s VAL 14 Cb 0.09 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1ba9 s VAL 14 CO 0.53 -0.00 -0.16 0.00 0.00 0.00 0.00 175.10 175.47 1ba9 s GLN 15 N 5.80 1.42 -0.14 2.72 0.00 -0.65 -4.15 119.66 124.66 1ba9 s GLN 15 Ca 0.97 -1.64 -0.07 0.00 -0.00 0.00 0.00 55.36 54.62 1ba9 s GLN 15 Cb -0.36 -1.28 0.06 0.00 0.00 0.00 0.00 33.01 31.42 1ba9 s GLN 15 CO 0.37 0.22 0.33 0.20 0.00 0.00 0.00 175.29 176.40 1ba9 s GLY 16 N -3.37 -0.23 -0.79 2.60 0.00 0.37 0.15 107.32 106.05 1ba9 s GLY 16 Ca 0.25 1.24 -0.19 0.00 0.00 0.00 0.00 44.72 46.01 1ba9 s GLY 16 CO 0.09 1.58 0.98 -0.42 0.00 0.00 0.00 173.10 175.33 1ba9 s ILE 17 N 1.52 4.72 0.50 0.90 1.09 -0.65 0.05 121.20 129.33 1ba9 s ILE 17 Ca -0.08 -1.24 -0.17 0.00 -1.10 0.00 0.00 60.65 58.06 1ba9 s ILE 17 Cb -0.10 -4.68 -0.08 0.00 -1.06 0.00 0.00 42.46 36.54 1ba9 s ILE 17 CO -0.11 -1.39 0.98 -0.63 -0.10 0.00 0.00 174.94 173.70 1ba9 s ILE 18 N 2.83 4.48 -0.01 2.92 -1.09 0.14 -1.89 121.20 128.58 1ba9 s ILE 18 Ca 0.25 1.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 1ba9 s ILE 18 Cb -0.12 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1ba9 s ILE 18 CO -0.02 -0.61 -0.00 0.20 -1.23 0.00 0.00 174.94 173.29 1ba9 s ASN 19 N -2.87 0.14 -0.30 3.58 0.01 0.85 -0.82 114.94 115.53 1ba9 s ASN 19 Ca 0.60 -0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.77 1ba9 s ASN 19 Cb -0.10 -0.04 0.08 0.00 0.41 0.00 0.00 41.25 41.60 1ba9 s ASN 19 CO 0.28 -0.02 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.46 1ba9 s PHE 20 N 0.27 3.40 -0.12 2.20 0.40 -0.07 -0.83 117.98 123.24 1ba9 s PHE 20 Ca -0.02 -2.60 -0.05 0.00 -0.60 0.00 0.00 56.93 53.66 1ba9 s PHE 20 Cb -0.04 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1ba9 s PHE 20 CO -0.01 -0.91 0.07 -2.00 0.70 0.00 0.00 175.22 173.08 1ba9 s GLU 21 N 1.04 3.35 0.00 0.44 2.12 -0.63 -0.32 118.70 124.71 1ba9 s GLU 21 Ca 0.01 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1ba9 s GLU 21 Cb -0.19 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1ba9 s GLU 21 CO -0.07 0.67 0.00 0.94 -0.54 0.00 0.00 175.26 176.26 1ba9 n GLN 22 N 2.29 0.00 0.00 4.30 7.27 -1.26 -0.37 117.38 129.60 1ba9 n GLN 22 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1ba9 n GLN 22 Cb 0.54 -0.46 0.00 0.00 2.41 0.00 0.00 30.24 32.73 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 -2.71 0.00 0.23 3.69 4.81 -1.22 -4.41 118.16 118.55 1ba9 n LYS 23 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 1ba9 n LYS 23 Cb 0.35 0.00 0.44 0.00 0.02 0.00 0.00 35.03 35.84 1ba9 n LYS 23 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ba9 h GLU 24 N 0.00 0.00 0.00 1.64 4.81 -1.94 -3.47 114.58 115.63 1ba9 h GLU 24 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ba9 h GLU 24 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ba9 h GLU 24 CO 0.00 0.19 0.00 0.45 -0.73 0.00 0.00 179.01 178.92 1ba9 n SER 25 N -3.30 0.00 -0.12 1.04 2.88 -1.26 -4.39 113.62 108.47 1ba9 n SER 25 Ca 0.01 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.63 1ba9 n SER 25 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 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 1.18 1.08 -3.16 -3.46 3.02 -1.26 -4.04 115.26 108.62 1ba9 n ASN 26 Ca 0.00 -1.04 -0.09 0.00 -0.03 0.00 0.00 54.58 53.42 1ba9 n ASN 26 Cb 0.00 0.84 0.04 0.00 -0.61 0.00 0.00 39.78 40.05 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 1.35 1.51 3.65 7.41 0.00 -1.26 -5.03 105.19 112.82 1ba9 n GLY 27 Ca 0.04 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.24 4.11 0.14 1.61 0.04 -1.26 -4.84 135.00 131.56 1ba9 s PRO 28 Ca 0.26 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1ba9 s PRO 28 Cb -0.02 -3.88 -0.07 0.00 0.04 0.00 0.00 34.50 30.57 1ba9 s PRO 28 CO 0.17 -0.88 1.08 0.54 0.04 0.00 0.00 177.00 177.95 1ba9 s VAL 29 N 4.01 4.06 -0.28 -0.36 0.11 0.55 -4.82 120.40 123.68 1ba9 s VAL 29 Ca 0.63 1.70 -0.20 0.00 -2.93 0.00 0.00 61.98 61.18 1ba9 s VAL 29 Cb -0.25 -4.09 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1ba9 s VAL 29 CO 0.22 0.26 0.62 -0.54 -3.33 0.00 0.00 175.10 172.32 1ba9 s LYS 30 N -0.03 4.02 -0.46 1.54 3.01 0.50 -0.91 119.74 127.41 1ba9 s LYS 30 Ca 0.50 0.42 -0.21 0.00 -1.01 0.00 0.00 55.97 55.67 1ba9 s LYS 30 Cb -0.28 -3.68 0.03 0.00 -1.01 0.00 0.00 37.83 32.89 1ba9 s LYS 30 CO 0.33 -0.47 0.69 0.08 0.51 0.00 0.00 175.35 176.49 1ba9 s VAL 31 N 2.52 4.76 0.22 3.17 1.01 0.97 -1.60 120.40 131.46 1ba9 s VAL 31 Ca 0.25 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.39 1ba9 s VAL 31 Cb -0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1ba9 s VAL 31 CO 0.10 -0.71 -0.03 0.26 0.00 0.00 0.00 175.10 174.72 1ba9 s TRP 32 N 2.98 2.70 0.18 5.22 0.51 -0.01 -0.74 118.94 129.77 1ba9 s TRP 32 Ca 0.23 -0.21 -0.23 0.00 -2.12 0.00 0.00 56.10 53.78 1ba9 s TRP 32 Cb -0.15 -1.26 0.07 0.00 -0.81 0.00 0.00 33.47 31.33 1ba9 s TRP 32 CO 0.18 0.57 1.01 0.20 -0.51 0.00 0.00 176.95 178.40 1ba9 s GLY 33 N -3.27 0.01 -0.30 0.98 0.00 -0.47 -0.10 107.32 104.16 1ba9 s GLY 33 Ca 0.29 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.85 1ba9 s GLY 33 CO 0.18 1.45 0.48 -0.56 0.00 0.00 0.00 173.10 174.64 1ba9 s SER 34 N -3.23 -0.31 0.81 1.64 0.01 -0.79 -0.30 113.70 111.53 1ba9 s SER 34 Ca 0.18 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.04 1ba9 s SER 34 Cb -0.02 1.42 0.08 0.00 0.21 0.00 0.00 66.02 67.70 1ba9 s SER 34 CO 0.04 -0.32 1.09 -0.63 0.41 0.00 0.00 173.24 173.83 1ba9 s ILE 35 N 2.54 3.13 -0.29 1.44 1.01 -0.13 -1.64 121.20 127.27 1ba9 s ILE 35 Ca 0.10 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.15 1ba9 s ILE 35 Cb -0.11 -2.96 0.17 0.00 0.01 0.00 0.00 42.46 39.56 1ba9 s ILE 35 CO -0.26 -0.48 0.45 -0.75 0.00 0.00 0.00 174.94 173.89 1ba9 s LYS 36 N -5.01 0.44 0.00 2.79 2.20 0.12 -3.75 119.74 116.53 1ba9 s LYS 36 Ca 0.61 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1ba9 s LYS 36 Cb -0.16 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 1ba9 s LYS 36 CO 0.56 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1ba9 n GLY 37 N 5.37 0.17 1.57 5.54 0.00 -0.22 -1.64 105.19 115.97 1ba9 n GLY 37 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.53 0.99 7.99 -0.67 -4.71 117.00 116.08 1ba9 n LEU 38 Ca 0.00 -0.51 -0.30 0.00 -0.01 0.00 0.00 56.01 55.19 1ba9 n LEU 38 Cb 0.00 -0.46 -0.11 0.00 -0.11 0.00 0.00 43.42 42.75 1ba9 n LEU 38 CO 0.00 -1.59 -0.46 0.42 -1.51 0.00 0.00 177.39 174.25 1ba9 s THR 39 N -1.86 3.08 0.41 -5.08 -4.23 -1.26 -4.03 115.64 102.68 1ba9 s THR 39 Ca 0.32 -1.35 -0.24 0.00 -1.18 0.00 0.00 61.69 59.25 1ba9 s THR 39 Cb -0.03 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.28 1ba9 s THR 39 CO 0.25 0.14 0.79 -1.84 -0.54 0.00 0.00 174.62 173.42 1ba9 n GLU 40 N 0.86 0.94 0.00 3.99 0.28 -1.23 -4.52 120.64 120.96 1ba9 n GLU 40 Ca -0.15 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1ba9 n GLU 40 Cb 0.52 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ba9 n GLY 41 N 1.48 0.11 3.25 -1.84 0.00 -0.88 -4.91 105.19 102.40 1ba9 n GLY 41 Ca 0.11 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.82 -0.01 0.99 2.34 -1.26 -0.01 118.68 121.55 1ba9 s LEU 42 Ca 0.00 0.03 -0.01 0.00 0.06 0.00 0.00 54.13 54.21 1ba9 s LEU 42 Cb 0.00 1.32 0.00 0.00 -0.56 0.00 0.00 46.19 46.96 1ba9 s LEU 42 CO 0.00 -0.50 0.03 -1.00 -1.06 0.00 0.00 176.35 173.82 1ba9 s HIS 43 N -1.65 -0.03 0.42 3.48 3.76 -1.25 -2.62 115.29 117.39 1ba9 s HIS 43 Ca -0.11 0.07 -0.24 0.00 -0.15 0.00 0.00 55.06 54.63 1ba9 s HIS 43 Cb -0.04 0.00 -0.08 0.00 1.11 0.00 0.00 32.58 33.57 1ba9 s HIS 43 CO 0.02 -0.02 1.10 0.20 -0.85 0.00 0.00 174.74 175.20 1ba9 s GLY 44 N 0.04 2.77 -0.19 -2.22 0.00 0.87 -0.49 107.32 108.10 1ba9 s GLY 44 Ca -0.00 0.81 -0.04 0.00 0.00 0.00 0.00 44.72 45.48 1ba9 s GLY 44 CO -0.00 1.25 0.17 -0.12 0.00 0.00 0.00 173.10 174.40 1ba9 s PHE 45 N -1.59 -0.08 0.02 1.90 5.36 0.59 -0.73 117.98 123.45 1ba9 s PHE 45 Ca 0.59 0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 56.47 1ba9 s PHE 45 Cb -0.25 -0.50 0.01 0.00 -0.34 0.00 0.00 43.02 41.94 1ba9 s PHE 45 CO 0.31 -0.56 0.22 -1.01 -1.46 0.00 0.00 175.22 172.72 1ba9 s HIS 46 N 2.25 -0.01 -0.54 10.12 3.76 -0.75 -2.31 115.29 127.81 1ba9 s HIS 46 Ca 0.05 -0.12 -0.22 0.00 -0.15 0.00 0.00 55.06 54.62 1ba9 s HIS 46 Cb -0.16 0.00 0.05 0.00 1.11 0.00 0.00 32.58 33.59 1ba9 s HIS 46 CO -0.11 -0.40 0.81 0.08 -0.85 0.00 0.00 174.74 174.27 1ba9 s VAL 47 N -2.07 4.59 0.91 -0.90 1.01 0.24 -0.97 120.40 123.19 1ba9 s VAL 47 Ca -0.09 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1ba9 s VAL 47 Cb -0.03 -4.45 0.14 0.00 0.00 0.00 0.00 36.38 32.04 1ba9 s VAL 47 CO -0.01 -1.00 1.17 -1.00 0.00 0.00 0.00 175.10 174.26 1ba9 s HIS 48 N 3.40 2.41 0.00 5.22 3.76 0.92 -3.52 115.29 127.48 1ba9 s HIS 48 Ca 0.24 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 1ba9 s HIS 48 Cb -0.16 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 30.02 1ba9 s HIS 48 CO 0.16 -2.32 0.00 -1.91 -0.85 0.00 0.00 174.74 169.81 1ba9 n GLU 49 N -3.70 0.55 -0.71 1.40 2.13 -0.77 -3.82 120.64 115.73 1ba9 n GLU 49 Ca 0.08 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.00 1ba9 n GLU 49 Cb 0.60 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.28 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 -0.34 -1.42 0.09 5.31 -0.58 -1.26 -4.20 120.64 118.23 1ba9 n GLU 50 Ca 0.00 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 1ba9 n GLU 50 Cb 0.00 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 1ba9 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1ba9 n GLU 51 N -2.85 0.00 -3.31 3.49 0.28 -1.26 -3.79 120.64 113.21 1ba9 n GLU 51 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1ba9 n GLU 51 Cb 0.32 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.13 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ba9 s ASP 52 N -2.00 0.54 0.00 -1.84 1.01 -1.26 -4.75 116.67 108.36 1ba9 s ASP 52 Ca 0.00 -1.52 0.00 0.00 0.71 0.00 0.00 52.55 51.74 1ba9 s ASP 52 Cb 0.00 0.85 0.00 0.00 1.01 0.00 0.00 42.92 44.78 1ba9 s ASP 52 CO 0.00 -0.23 0.00 0.59 0.21 0.00 0.00 175.17 175.74 1ba9 n ASN 53 N 4.13 0.00 -3.42 0.27 3.02 -1.26 -5.00 115.26 113.01 1ba9 n ASN 53 Ca 0.12 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.34 1ba9 n ASN 53 Cb 0.48 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.95 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1ba9 n THR 54 N -2.21 1.80 -0.13 3.41 5.66 -1.26 -4.69 114.28 116.87 1ba9 n THR 54 Ca 0.00 -1.33 0.27 0.00 -3.05 0.00 0.00 64.05 59.93 1ba9 n THR 54 Cb 0.00 -2.18 0.72 0.00 -1.55 0.00 0.00 70.33 67.32 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 7.47 2.73 -3.00 1.79 0.00 -1.97 -3.34 119.26 122.95 1ba9 h ALA 55 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ba9 h ALA 55 Cb 0.45 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ba9 h ALA 55 CO 1.72 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1ba9 n GLY 56 N -1.68 1.62 0.00 0.00 0.00 -1.26 -5.08 105.19 98.78 1ba9 n GLY 56 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.28 1.36 0.00 0.00 -1.04 -1.26 -2.79 114.28 110.27 1ba9 n THR 58 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1ba9 n THR 58 Cb 0.00 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1ba9 n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ba9 n SER 59 N 1.68 0.00 -3.95 8.00 2.88 -1.26 -4.73 113.62 116.24 1ba9 n SER 59 Ca 0.11 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.40 1ba9 n SER 59 Cb 0.30 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 n ALA 60 N 0.17 -1.97 -0.59 -1.46 0.00 -1.12 -4.48 120.51 111.05 1ba9 n ALA 60 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ba9 n ALA 60 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -1.94 -3.52 3.55 0.00 0.00 -1.26 -4.31 105.19 97.71 1ba9 n GLY 61 Ca -0.29 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -5.00 -1.18 -0.29 1.61 0.04 -1.26 -4.41 135.00 124.50 1ba9 s PRO 62 Ca 0.00 0.17 -0.40 0.00 0.04 0.00 0.00 61.00 60.82 1ba9 s PRO 62 Cb 0.00 -1.58 -0.15 0.00 0.04 0.00 0.00 34.50 32.81 1ba9 s PRO 62 CO 0.00 -3.73 1.82 0.72 0.04 0.00 0.00 177.00 175.84 1ba9 n HIS 63 N -4.82 2.00 -1.76 0.56 8.25 -1.26 -1.85 115.22 116.34 1ba9 n HIS 63 Ca 0.10 0.49 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 1ba9 n HIS 63 Cb 0.59 -2.47 -0.03 0.00 1.12 0.00 0.00 29.99 29.19 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 4.09 1.45 -0.39 4.41 2.19 -1.23 -4.79 117.98 123.70 1ba9 s PHE 64 Ca 1.00 -0.11 0.07 0.00 0.33 0.00 0.00 56.93 58.21 1ba9 s PHE 64 Cb -1.05 -4.12 0.44 0.00 -1.31 0.00 0.00 43.02 36.98 1ba9 s PHE 64 CO 0.64 -4.84 1.13 -1.71 1.83 0.00 0.00 175.22 172.26 1ba9 n ASN 65 N 8.19 4.57 0.26 6.13 4.05 -1.26 -3.56 115.26 133.64 1ba9 n ASN 65 Ca 0.21 -3.65 0.15 0.00 0.45 0.00 0.00 54.58 51.74 1ba9 n ASN 65 Cb 0.42 -0.43 0.53 0.00 1.23 0.00 0.00 39.78 41.54 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 2.48 0.00 -0.00 1.20 0.13 -1.93 -0.61 132.00 133.26 1ba9 h PRO 66 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1ba9 h PRO 66 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ba9 h PRO 66 CO 0.80 0.03 -0.13 1.28 -0.23 0.00 0.00 178.00 179.75 1ba9 n LEU 67 N -3.13 0.15 -3.42 1.56 4.77 -1.26 -4.97 117.00 110.71 1ba9 n LEU 67 Ca 0.01 0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 1ba9 n LEU 67 Cb 0.38 -0.41 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1ba9 n LEU 67 CO 0.30 0.04 0.08 -0.24 -1.33 0.00 0.00 177.39 176.24 1ba9 n SER 68 N -1.45 -2.85 -3.72 -1.43 2.88 -0.24 -5.03 113.62 101.77 1ba9 n SER 68 Ca 0.07 -0.65 -0.22 0.00 -1.33 0.00 0.00 58.87 56.74 1ba9 n SER 68 Cb 0.33 -5.06 -0.05 0.00 -0.75 0.00 0.00 64.21 58.68 1ba9 n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ba9 n ARG 69 N -3.98 1.00 -2.51 -1.46 1.74 -1.26 -5.16 116.66 105.03 1ba9 n ARG 69 Ca -0.25 -2.61 -0.28 0.00 -0.77 0.00 0.00 57.85 53.95 1ba9 n ARG 69 Cb 0.66 0.89 0.01 0.00 -1.02 0.00 0.00 32.46 32.99 1ba9 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ba9 s LYS 70 N -3.26 3.43 0.60 5.56 -0.14 -1.26 -4.80 119.74 119.87 1ba9 s LYS 70 Ca 0.04 0.22 -0.18 0.00 -1.36 0.00 0.00 55.97 54.69 1ba9 s LYS 70 Cb 0.00 -2.33 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 1ba9 s LYS 70 CO 0.03 -0.34 1.17 -1.58 -0.76 0.00 0.00 175.35 173.87 1ba9 s HIS 71 N -2.83 2.49 0.00 3.18 5.65 0.66 -1.88 115.29 122.56 1ba9 s HIS 71 Ca 0.49 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.34 1ba9 s HIS 71 Cb -0.10 -3.37 0.00 0.00 -1.18 0.00 0.00 32.58 27.93 1ba9 s HIS 71 CO 0.46 -1.95 0.00 0.41 -0.65 0.00 0.00 174.74 173.01 1ba9 n GLY 72 N 0.22 1.33 3.33 1.59 0.00 -1.24 -4.09 105.19 106.32 1ba9 n GLY 72 Ca 0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1ba9 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 73 N 0.00 2.00 0.27 -0.02 0.00 -1.06 -4.58 105.19 101.81 1ba9 n GLY 73 Ca 0.00 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.55 1ba9 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 h PRO 74 N 0.00 0.00 0.00 1.61 0.13 -1.86 -0.22 132.00 131.66 1ba9 h PRO 74 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1ba9 h PRO 74 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ba9 h PRO 74 CO 0.37 0.01 -0.31 1.57 -0.23 0.00 0.00 178.00 179.40 1ba9 h LYS 75 N 0.00 0.00 -6.22 0.86 2.10 -1.97 -3.44 116.57 107.90 1ba9 h LYS 75 Ca -0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 1ba9 h LYS 75 Cb 0.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.32 1ba9 h LYS 75 CO 0.00 0.31 -0.45 -0.51 -2.00 0.00 0.00 179.45 176.80 1ba9 s ASP 76 N -6.73 5.69 0.14 7.07 1.01 -0.10 -5.03 116.67 118.73 1ba9 s ASP 76 Ca -0.02 -0.25 -0.06 0.00 0.71 0.00 0.00 52.55 52.92 1ba9 s ASP 76 Cb 0.14 -1.32 -0.07 0.00 1.01 0.00 0.00 42.92 42.68 1ba9 s ASP 76 CO 0.69 -0.22 1.34 -0.08 0.21 0.00 0.00 175.17 177.11 1ba9 h GLU 77 N 1.24 0.51 -6.98 8.23 4.22 -1.86 -3.43 114.58 116.51 1ba9 h GLU 77 Ca -0.47 -0.48 -0.47 0.00 0.08 0.00 0.00 59.36 58.02 1ba9 h GLU 77 Cb 1.25 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ba9 h GLU 77 CO 0.58 1.11 0.39 -1.21 -2.18 0.00 0.00 179.01 177.71 1ba9 s GLU 78 N -3.49 4.18 0.00 1.92 2.02 -1.26 -5.00 118.70 117.07 1ba9 s GLU 78 Ca -0.07 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.34 1ba9 s GLU 78 Cb 0.09 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1ba9 s GLU 78 CO 0.87 -0.11 0.00 2.89 0.02 0.00 0.00 175.26 178.93 1ba9 n ARG 79 N -0.18 0.00 0.00 1.61 1.85 -0.79 -2.55 116.66 116.61 1ba9 n ARG 79 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1ba9 n ARG 79 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 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 -0.64 0.00 -0.02 2.89 8.25 -1.22 -4.57 115.22 119.92 1ba9 n HIS 80 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1ba9 n HIS 80 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1ba9 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ba9 n VAL 81 N 0.00 0.66 -0.79 1.59 0.31 -1.23 -4.80 118.33 114.07 1ba9 n VAL 81 Ca 0.00 0.28 -0.07 0.00 -0.01 0.00 0.00 64.34 64.53 1ba9 n VAL 81 Cb 0.00 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 31.18 1ba9 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ba9 n GLY 82 N 2.24 2.87 3.13 2.92 0.00 -1.26 -4.73 105.19 110.37 1ba9 n GLY 82 Ca -0.04 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 1.87 5.60 -0.68 1.61 1.01 -1.26 -0.60 116.67 124.23 1ba9 s ASP 83 Ca 0.35 -3.06 -0.03 0.00 0.71 0.00 0.00 52.55 50.52 1ba9 s ASP 83 Cb 0.18 -1.91 0.21 0.00 1.01 0.00 0.00 42.92 42.40 1ba9 s ASP 83 CO -0.01 -0.34 2.38 0.18 0.21 0.00 0.00 175.17 177.59 1ba9 n LEU 84 N 3.24 7.05 0.00 1.23 7.99 -0.98 -4.43 117.00 131.10 1ba9 n LEU 84 Ca 0.12 -4.50 0.00 0.00 -0.01 0.00 0.00 56.01 51.62 1ba9 n LEU 84 Cb 0.39 -1.16 0.00 0.00 -0.11 0.00 0.00 43.42 42.54 1ba9 n LEU 84 CO 0.34 1.76 0.00 0.61 -1.51 0.00 0.00 177.39 178.60 1ba9 n GLY 85 N 0.19 0.69 3.60 -0.72 0.00 -1.26 -4.60 105.19 103.10 1ba9 n GLY 85 Ca 0.52 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.29 3.31 0.00 1.61 4.22 -1.26 -0.30 114.94 121.23 1ba9 s ASN 86 Ca 0.00 -1.58 0.00 0.00 -2.14 0.00 0.00 52.86 49.14 1ba9 s ASN 86 Cb 0.00 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.82 1ba9 s ASN 86 CO 0.00 -0.79 0.00 1.33 -2.04 0.00 0.00 177.10 175.60 1ba9 n VAL 87 N -1.00 0.00 -3.32 3.54 0.24 0.36 -4.87 118.33 113.29 1ba9 n VAL 87 Ca -0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 1ba9 n VAL 87 Cb 0.66 -0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.95 1ba9 n VAL 87 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ba9 s THR 88 N 1.41 -0.63 0.28 3.34 2.01 -1.26 -3.92 115.64 116.88 1ba9 s THR 88 Ca 0.00 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1ba9 s THR 88 Cb 0.00 -0.94 -0.09 0.00 0.01 0.00 0.00 72.50 71.48 1ba9 s THR 88 CO 0.00 -0.24 1.07 0.00 -0.69 0.00 0.00 174.62 174.76 1ba9 s ALA 89 N 2.55 3.38 0.90 7.40 0.00 0.98 -4.15 121.76 132.82 1ba9 s ALA 89 Ca 0.11 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1ba9 s ALA 89 Cb -0.13 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 19.82 1ba9 s ALA 89 CO -0.26 -0.10 1.13 0.34 0.00 0.00 0.00 175.76 176.87 1ba9 s ASP 90 N -0.97 3.59 0.57 0.00 2.15 0.40 -2.06 116.67 120.34 1ba9 s ASP 90 Ca 0.45 1.05 0.28 0.00 0.43 0.00 0.00 52.55 54.76 1ba9 s ASP 90 Cb -0.30 -1.66 1.49 0.00 -0.30 0.00 0.00 42.92 42.14 1ba9 s ASP 90 CO 0.39 -2.51 1.94 0.07 -0.17 0.00 0.00 175.17 174.89 1ba9 h LYS 91 N -1.47 0.00 0.00 4.34 2.10 -1.95 0.16 116.57 119.75 1ba9 h LYS 91 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ba9 h LYS 91 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1ba9 h LYS 91 CO 0.61 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.59 1ba9 n ASP 92 N -3.89 0.00 -0.00 7.07 2.03 -1.26 -4.79 116.55 115.71 1ba9 n ASP 92 Ca 0.08 0.37 -0.00 0.00 0.52 0.00 0.00 54.79 55.77 1ba9 n ASP 92 Cb 0.63 -0.46 -0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 93 N 1.18 0.37 3.33 0.27 0.00 0.54 -4.64 105.19 106.25 1ba9 n GLY 93 Ca 0.08 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 3.74 -0.41 1.61 1.01 -1.25 -1.06 120.40 122.04 1ba9 s VAL 94 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1ba9 s VAL 94 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.56 1ba9 s VAL 94 CO 0.00 0.21 0.29 0.00 0.00 0.00 0.00 175.10 175.60 1ba9 s ALA 95 N 1.49 3.43 -0.25 5.51 0.00 -1.25 -0.45 121.76 130.24 1ba9 s ALA 95 Ca 0.03 -1.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 1ba9 s ALA 95 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1ba9 s ALA 95 CO 0.00 -1.51 0.52 0.34 0.00 0.00 0.00 175.76 175.11 1ba9 s ASP 96 N 1.84 6.46 -0.01 0.00 2.15 -1.26 -0.95 116.67 124.91 1ba9 s ASP 96 Ca 0.04 0.56 -0.01 0.00 0.43 0.00 0.00 52.55 53.57 1ba9 s ASP 96 Cb -0.20 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1ba9 s ASP 96 CO 0.08 -0.26 0.11 -0.69 -0.17 0.00 0.00 175.17 174.24 1ba9 s VAL 97 N 2.15 4.92 -0.41 1.11 1.01 0.58 -4.76 120.40 125.01 1ba9 s VAL 97 Ca 0.22 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1ba9 s VAL 97 Cb -0.16 -3.26 0.18 0.00 0.00 0.00 0.00 36.38 33.15 1ba9 s VAL 97 CO 0.09 0.35 0.74 -0.94 0.00 0.00 0.00 175.10 175.35 1ba9 s SER 98 N -1.76 -1.26 0.24 3.32 1.04 -1.23 -1.37 113.70 112.69 1ba9 s SER 98 Ca 0.24 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1ba9 s SER 98 Cb -0.12 1.62 -0.03 0.00 0.10 0.00 0.00 66.02 67.58 1ba9 s SER 98 CO 0.15 -0.12 0.21 -0.51 0.98 0.00 0.00 173.24 173.94 1ba9 s ILE 99 N 1.66 0.00 -0.01 -1.02 2.07 0.08 -5.02 121.20 118.97 1ba9 s ILE 99 Ca 0.18 -1.95 -0.02 0.00 -1.41 0.00 0.00 60.65 57.46 1ba9 s ILE 99 Cb -0.01 -2.49 -0.00 0.00 0.13 0.00 0.00 42.46 40.09 1ba9 s ILE 99 CO -0.08 0.00 0.03 -1.83 -1.91 0.00 0.00 174.94 171.15 1ba9 s GLU 100 N -3.92 0.12 0.12 3.50 1.03 -1.26 -0.02 118.70 118.27 1ba9 s GLU 100 Ca 0.38 -0.08 0.07 0.00 0.03 0.00 0.00 54.97 55.37 1ba9 s GLU 100 Cb 0.05 0.05 -0.04 0.00 -0.80 0.00 0.00 34.13 33.39 1ba9 s GLU 100 CO 0.16 -0.02 -0.17 -0.51 -1.33 0.00 0.00 175.26 173.39 1ba9 s ASP 101 N -0.31 2.29 0.00 0.83 1.11 -0.09 -4.95 116.67 115.55 1ba9 s ASP 101 Ca -0.04 -0.77 0.11 0.00 0.18 0.00 0.00 52.55 52.04 1ba9 s ASP 101 Cb -0.02 -0.11 0.29 0.00 1.07 0.00 0.00 42.92 44.15 1ba9 s ASP 101 CO -0.00 -0.05 1.22 -0.24 1.18 0.00 0.00 175.17 177.28 1ba9 n SER 102 N 0.70 2.85 -0.04 0.27 2.88 -1.26 -0.33 113.62 118.69 1ba9 n SER 102 Ca -0.17 -1.94 -0.04 0.00 -1.33 0.00 0.00 58.87 55.40 1ba9 n SER 102 Cb 0.56 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.79 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ba9 n VAL 103 N 0.58 0.74 -1.91 2.46 0.31 -1.26 -4.95 118.33 114.31 1ba9 n VAL 103 Ca 0.12 0.31 -0.40 0.00 -0.01 0.00 0.00 64.34 64.36 1ba9 n VAL 103 Cb 0.42 -1.89 0.01 0.00 -0.91 0.00 0.00 33.84 31.47 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 -1.93 2.30 0.33 2.52 -4.36 -1.26 -4.88 121.20 113.92 1ba9 s ILE 104 Ca -0.14 0.27 -0.17 0.00 -0.26 0.00 0.00 60.65 60.35 1ba9 s ILE 104 Cb 0.02 -3.16 0.03 0.00 1.25 0.00 0.00 42.46 40.60 1ba9 s ILE 104 CO 0.20 0.04 0.72 -0.44 0.24 0.00 0.00 174.94 175.71 1ba9 s SER 105 N -0.57 -0.06 0.14 4.36 0.01 -1.25 -4.36 113.70 111.97 1ba9 s SER 105 Ca 0.58 -0.93 0.27 0.00 1.31 0.00 0.00 55.95 57.18 1ba9 s SER 105 Cb -0.42 0.77 0.85 0.00 0.21 0.00 0.00 66.02 67.43 1ba9 s SER 105 CO 0.54 -1.50 1.75 0.18 0.41 0.00 0.00 173.24 174.62 1ba9 n LEU 106 N -0.49 0.60 -4.77 2.44 4.77 -1.26 -0.43 117.00 117.86 1ba9 n LEU 106 Ca -0.06 0.50 -0.40 0.00 -0.03 0.00 0.00 56.01 56.03 1ba9 n LEU 106 Cb 0.60 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1ba9 n LEU 106 CO 0.22 -0.11 0.88 -0.44 -1.33 0.00 0.00 177.39 176.60 1ba9 s SER 107 N -4.09 6.78 0.36 -1.43 0.01 -1.26 -4.32 113.70 109.75 1ba9 s SER 107 Ca 0.11 2.45 -0.20 0.00 1.31 0.00 0.00 55.95 59.61 1ba9 s SER 107 Cb 0.14 -2.63 -0.15 0.00 0.21 0.00 0.00 66.02 63.60 1ba9 s SER 107 CO 0.60 -0.50 0.11 0.61 0.41 0.00 0.00 173.24 174.47 1ba9 n GLY 108 N 0.82 -2.47 5.00 3.44 0.00 -1.26 0.99 105.19 111.72 1ba9 n GLY 108 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N 2.15 0.00 0.19 1.61 -0.08 -1.26 -4.33 116.55 114.82 1ba9 n ASP 109 Ca 0.11 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.46 1ba9 n ASP 109 Cb 0.36 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.03 1ba9 n ASP 109 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1ba9 h HIS 110 N 0.00 0.00 0.00 -0.67 3.86 -1.69 -3.47 115.15 113.18 1ba9 h HIS 110 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 1ba9 h HIS 110 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1ba9 h HIS 110 CO 0.00 0.29 1.00 0.45 0.86 0.00 0.00 177.93 180.53 1ba9 n SER 111 N -3.24 0.25 0.27 2.45 2.88 0.28 -3.82 113.62 112.69 1ba9 n SER 111 Ca 0.02 0.19 0.18 0.00 -1.33 0.00 0.00 58.87 57.93 1ba9 n SER 111 Cb 0.58 -0.56 0.79 0.00 -0.75 0.00 0.00 64.21 64.27 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 4.71 0.00 -2.15 2.46 -2.65 -1.02 -3.43 117.51 115.45 1ba9 h ILE 112 Ca -0.04 -0.32 -0.56 0.00 1.03 0.00 0.00 64.86 64.97 1ba9 h ILE 112 Cb 0.82 1.25 0.01 0.00 -2.05 0.00 0.00 36.82 36.85 1ba9 h ILE 112 CO 0.80 0.00 1.38 -0.38 0.03 0.00 0.00 178.15 179.97 1ba9 n ILE 113 N -2.92 0.54 0.00 0.16 2.08 -1.26 -1.05 119.36 116.91 1ba9 n ILE 113 Ca -0.00 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.99 1ba9 n ILE 113 Cb 0.22 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.66 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 5.21 2.63 3.78 7.39 0.00 0.20 -5.02 105.19 119.38 1ba9 n GLY 114 Ca 0.25 0.00 -0.33 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 -0.38 3.15 -0.31 1.61 1.81 -0.21 -4.34 118.95 120.28 1ba9 s ARG 115 Ca 0.00 1.37 -0.21 0.00 -1.72 0.00 0.00 55.73 55.16 1ba9 s ARG 115 Cb 0.00 -2.00 -0.00 0.00 -0.45 0.00 0.00 34.95 32.50 1ba9 s ARG 115 CO 0.00 -0.96 0.68 0.99 -0.68 0.00 0.00 175.30 175.33 1ba9 s THR 116 N -2.25 4.88 -0.11 0.02 2.01 -1.25 -0.67 115.64 118.28 1ba9 s THR 116 Ca 0.67 0.94 -0.02 0.00 0.31 0.00 0.00 61.69 63.59 1ba9 s THR 116 Cb -0.19 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1ba9 s THR 116 CO 0.36 -0.19 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.86 1ba9 s LEU 117 N 2.74 3.44 -0.02 4.42 0.20 0.78 -0.05 118.68 130.19 1ba9 s LEU 117 Ca 0.28 0.04 -0.02 0.00 0.69 0.00 0.00 54.13 55.11 1ba9 s LEU 117 Cb -0.15 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1ba9 s LEU 117 CO 0.12 0.30 0.06 -0.69 -0.29 0.00 0.00 176.35 175.86 1ba9 s VAL 118 N -0.42 0.02 0.11 1.68 1.01 -0.14 -0.73 120.40 121.92 1ba9 s VAL 118 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1ba9 s VAL 118 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1ba9 s VAL 118 CO 0.02 -0.09 -0.06 0.54 0.00 0.00 0.00 175.10 175.51 1ba9 s VAL 119 N -0.27 3.64 0.26 2.92 0.11 -0.12 -1.80 120.40 125.13 1ba9 s VAL 119 Ca -0.03 -1.18 0.09 0.00 -2.93 0.00 0.00 61.98 57.93 1ba9 s VAL 119 Cb -0.02 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1ba9 s VAL 119 CO 0.00 0.09 -0.01 -1.00 -3.33 0.00 0.00 175.10 170.85 1ba9 s HIS 120 N -1.30 2.69 0.20 1.54 3.76 0.09 -1.49 115.29 120.78 1ba9 s HIS 120 Ca 0.24 -0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 54.82 1ba9 s HIS 120 Cb -0.11 -1.20 0.13 0.00 1.11 0.00 0.00 32.58 32.51 1ba9 s HIS 120 CO 0.16 0.61 1.81 1.49 -0.85 0.00 0.00 174.74 177.96 1ba9 h GLU 121 N 2.00 1.00 -5.68 1.40 4.81 -1.12 -3.31 114.58 113.69 1ba9 h GLU 121 Ca -0.44 -0.12 -0.61 0.00 -0.13 0.00 0.00 59.36 58.05 1ba9 h GLU 121 Cb 1.24 -0.19 -0.10 0.00 0.63 0.00 0.00 28.75 30.33 1ba9 h GLU 121 CO 0.60 0.76 -0.48 0.15 -0.73 0.00 0.00 179.01 179.30 1ba9 s LYS 122 N -5.82 2.18 0.50 1.92 1.02 -1.23 -4.78 119.74 113.52 1ba9 s LYS 122 Ca -0.13 -2.07 -0.22 0.00 0.02 0.00 0.00 55.97 53.57 1ba9 s LYS 122 Cb 0.14 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.56 1ba9 s LYS 122 CO 0.80 -0.27 1.19 0.00 -0.92 0.00 0.00 175.35 176.15 1ba9 s ALA 123 N -2.72 2.86 0.14 5.17 0.00 -1.08 -0.09 121.76 126.05 1ba9 s ALA 123 Ca 0.29 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1ba9 s ALA 123 Cb 0.03 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1ba9 s ALA 123 CO 0.16 -0.83 1.11 0.16 0.00 0.00 0.00 175.76 176.36 1ba9 s ASP 124 N -1.38 7.24 0.00 0.00 -4.77 -1.26 -4.13 116.67 112.37 1ba9 s ASP 124 Ca 0.68 2.04 0.00 0.00 -3.30 0.00 0.00 52.55 51.97 1ba9 s ASP 124 Cb -0.30 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.94 1ba9 s ASP 124 CO 0.35 -0.27 0.46 -0.90 0.70 0.00 0.00 175.17 175.51 1ba9 n ASP 125 N 2.81 0.64 -4.32 2.11 5.75 0.34 -4.78 116.55 119.09 1ba9 n ASP 125 Ca 0.04 -1.56 -0.35 0.00 -0.01 0.00 0.00 54.79 52.91 1ba9 n ASP 125 Cb 0.47 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ba9 n LEU 126 N 0.00 -0.87 0.00 -2.12 4.77 -1.26 -0.84 117.00 116.68 1ba9 n LEU 126 Ca 0.00 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1ba9 n LEU 126 Cb 0.16 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1ba9 n LEU 126 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1ba9 n GLY 127 N -1.87 0.62 0.19 -0.72 0.00 -1.26 -4.22 105.19 97.93 1ba9 n GLY 127 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 1.85 0.00 -0.21 1.61 1.79 -1.30 -1.29 116.57 119.02 1ba9 h LYS 128 Ca 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1ba9 h LYS 128 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1ba9 h LYS 128 CO 0.00 0.00 0.34 0.78 -1.08 0.00 0.00 179.45 179.49 1ba9 h GLY 129 N 1.31 0.00 -2.31 3.86 0.00 -1.90 -3.46 103.07 100.57 1ba9 h GLY 129 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1ba9 h GLY 129 CO 0.00 0.00 -0.42 0.61 0.00 0.00 0.00 176.54 176.73 1ba9 n GLY 130 N -1.36 -0.30 3.11 4.60 0.00 -0.49 -4.99 105.19 105.76 1ba9 n GLY 130 Ca 0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.27 1.21 0.15 1.61 2.47 -1.26 -5.01 114.94 111.83 1ba9 s ASN 131 Ca 0.00 -0.59 -0.24 0.00 0.42 0.00 0.00 52.86 52.45 1ba9 s ASN 131 Cb -0.00 0.00 0.01 0.00 -1.45 0.00 0.00 41.25 39.82 1ba9 s ASN 131 CO 0.00 -0.16 1.61 -0.33 -3.72 0.00 0.00 177.10 174.50 1ba9 h GLU 132 N 4.37 -0.31 0.00 0.43 4.39 -1.94 0.29 114.58 121.81 1ba9 h GLU 132 Ca -0.38 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1ba9 h GLU 132 Cb 1.20 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1ba9 h GLU 132 CO 0.41 -0.21 0.00 0.94 -1.16 0.00 0.00 179.01 178.99 1ba9 n GLN 133 N -5.40 0.00 -0.37 2.33 0.00 -1.26 0.43 117.38 113.10 1ba9 n GLN 133 Ca -0.01 0.74 -0.03 0.00 -0.00 0.00 0.00 57.00 57.70 1ba9 n GLN 133 Cb 0.32 -1.45 0.02 0.00 0.00 0.00 0.00 30.24 29.13 1ba9 n GLN 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ba9 n SER 134 N -2.40 -0.68 0.00 1.69 3.41 -1.19 0.36 113.62 114.80 1ba9 n SER 134 Ca 0.00 1.66 0.10 0.00 -0.26 0.00 0.00 58.87 60.37 1ba9 n SER 134 Cb 0.00 -0.35 0.56 0.00 -0.26 0.00 0.00 64.21 64.16 1ba9 n SER 134 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ba9 n THR 135 N -5.36 0.21 -0.10 6.66 -1.04 0.10 0.41 114.28 115.17 1ba9 n THR 135 Ca 0.08 0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 62.01 1ba9 n THR 135 Cb 0.36 -0.72 -0.09 0.00 -1.82 0.00 0.00 70.33 68.05 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 -1.15 0.53 0.00 -2.82 4.81 0.17 -0.25 118.16 119.45 1ba9 n LYS 136 Ca 0.12 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1ba9 n LYS 136 Cb 0.12 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 -3.05 0.00 0.00 3.15 -2.24 0.16 -4.59 114.28 107.70 1ba9 n THR 137 Ca -0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ba9 n THR 137 Cb 0.87 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.73 0.94 2.62 3.38 0.00 0.17 -4.61 105.19 110.42 1ba9 n GLY 138 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.02 0.29 1.61 5.15 -1.26 -0.51 115.26 115.52 1ba9 n ASN 139 Ca 0.00 0.11 -0.16 0.00 -0.60 0.00 0.00 54.58 53.93 1ba9 n ASN 139 Cb 0.00 -2.92 -0.08 0.00 -0.53 0.00 0.00 39.78 36.24 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 -0.72 0.00 5.20 0.00 -1.82 -3.48 119.26 118.45 1ba9 h ALA 140 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ba9 h ALA 140 Cb 0.79 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ba9 h ALA 140 CO 0.14 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1ba9 n GLY 141 N -1.41 0.87 3.53 0.00 0.00 -1.26 -3.56 105.19 103.37 1ba9 n GLY 141 Ca -0.12 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 0.96 -0.43 1.61 0.15 -1.26 -4.55 113.70 106.18 1ba9 s SER 142 Ca 0.00 1.02 -0.17 0.00 0.70 0.00 0.00 55.95 57.49 1ba9 s SER 142 Cb 0.00 -1.53 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 1ba9 s SER 142 CO 0.00 -4.14 0.44 -0.13 1.20 0.00 0.00 173.24 170.61 1ba9 s ARG 143 N -5.00 3.08 0.20 5.44 3.00 -1.26 -0.65 118.95 123.77 1ba9 s ARG 143 Ca 0.68 -0.82 -0.04 0.00 0.00 0.00 0.00 55.73 55.56 1ba9 s ARG 143 Cb -0.16 -3.99 0.16 0.00 0.00 0.00 0.00 34.95 30.95 1ba9 s ARG 143 CO 0.59 -0.89 1.57 -0.07 0.00 0.00 0.00 175.30 176.50 1ba9 h LEU 144 N 9.06 0.69 -7.26 2.53 -0.00 -1.53 -3.46 115.31 115.34 1ba9 h LEU 144 Ca -0.27 -0.31 -0.10 0.00 -0.00 0.00 0.00 57.88 57.21 1ba9 h LEU 144 Cb 1.11 -0.19 -0.22 0.00 -0.00 0.00 0.00 40.66 41.36 1ba9 h LEU 144 CO 0.81 1.01 -0.11 0.00 -0.00 0.00 0.00 178.44 180.15 1ba9 s ALA 145 N -4.29 -1.21 0.16 1.53 0.00 -1.22 -2.40 121.76 114.34 1ba9 s ALA 145 Ca -0.08 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.05 1ba9 s ALA 145 Cb 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1ba9 s ALA 145 CO 0.84 -0.27 -0.17 0.00 0.00 0.00 0.00 175.76 176.16 1ba9 s GLY 147 N -2.76 -0.09 -0.00 0.00 0.00 0.09 -0.58 107.32 103.97 1ba9 s GLY 147 Ca 0.16 -0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.91 1ba9 s GLY 147 CO 0.06 0.79 -0.26 0.14 0.00 0.00 0.00 173.10 173.83 1ba9 s VAL 148 N -2.84 2.06 -0.09 1.40 1.01 -1.26 -0.16 120.40 120.51 1ba9 s VAL 148 Ca 0.16 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 1ba9 s VAL 148 Cb -0.02 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1ba9 s VAL 148 CO 0.04 0.52 0.87 -0.63 0.00 0.00 0.00 175.10 175.89 1ba9 s ILE 149 N -0.66 4.90 0.34 2.22 1.01 0.16 -4.21 121.20 124.96 1ba9 s ILE 149 Ca 0.10 1.76 0.07 0.00 0.00 0.00 0.00 60.65 62.58 1ba9 s ILE 149 Cb -0.10 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1ba9 s ILE 149 CO -0.00 0.11 0.25 -0.83 0.00 0.00 0.00 174.94 174.47 1ba9 s GLY 150 N 1.02 2.37 0.32 6.18 0.00 -0.17 -0.63 107.32 116.41 1ba9 s GLY 150 Ca 0.43 -1.94 -0.29 0.00 0.00 0.00 0.00 44.72 42.92 1ba9 s GLY 150 CO 0.18 -1.53 1.56 -0.42 0.00 0.00 0.00 173.10 172.90 1ba9 s ILE 151 N -3.42 2.06 0.82 0.90 1.09 -1.26 -0.18 121.20 121.21 1ba9 s ILE 151 Ca 0.38 0.06 -0.11 0.00 -1.10 0.00 0.00 60.65 59.88 1ba9 s ILE 151 Cb 0.02 -3.04 0.09 0.00 -1.06 0.00 0.00 42.46 38.47 1ba9 s ILE 151 CO 0.26 0.01 1.09 0.00 -0.10 0.00 0.00 174.94 176.20 1ba9 s ALA 152 N -0.34 1.96 -2.89 9.38 0.00 -0.50 -4.42 121.76 124.94 1ba9 s ALA 152 Ca 0.60 0.12 0.25 0.00 0.00 0.00 0.00 51.96 52.93 1ba9 s ALA 152 Cb -0.47 -3.24 0.39 0.00 0.00 0.00 0.00 23.12 19.79 1ba9 s ALA 152 CO 0.53 -2.01 1.37 0.94 0.00 0.00 0.00 175.76 176.58