#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 0.29 -4.46 0.00 -1.04 -1.26 -4.80 114.28 103.02 1ba9 n THR 2 Ca 0.00 -0.26 -0.21 0.00 -2.04 0.00 0.00 64.05 61.55 1ba9 n THR 2 Cb 0.00 -1.82 -0.14 0.00 -1.82 0.00 0.00 70.33 66.55 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 5.71 1.00 0.11 -2.82 -2.85 -1.26 -1.46 119.74 118.18 1ba9 s LYS 3 Ca 1.04 -0.66 0.01 0.00 -1.00 0.00 0.00 55.97 55.37 1ba9 s LYS 3 Cb -0.75 -1.00 -0.04 0.00 -2.06 0.00 0.00 37.83 33.98 1ba9 s LYS 3 CO 0.48 0.26 -0.02 0.00 0.10 0.00 0.00 175.35 176.17 1ba9 s ALA 4 N -0.65 0.98 0.03 0.59 0.00 0.58 -1.96 121.76 121.33 1ba9 s ALA 4 Ca 0.03 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1ba9 s ALA 4 Cb -0.07 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1ba9 s ALA 4 CO 0.01 -0.32 -0.06 0.54 0.00 0.00 0.00 175.76 175.92 1ba9 s VAL 5 N -3.75 0.40 -0.10 0.00 0.11 0.51 -0.68 120.40 116.88 1ba9 s VAL 5 Ca 0.16 -0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1ba9 s VAL 5 Cb 0.06 -0.48 0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1ba9 s VAL 5 CO -0.02 -0.37 0.02 0.00 -3.33 0.00 0.00 175.10 171.39 1ba9 s ALA 6 N -1.27 0.72 -0.79 1.54 0.00 -0.08 -0.81 121.76 121.06 1ba9 s ALA 6 Ca -0.11 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 1ba9 s ALA 6 Cb -0.09 -0.83 0.08 0.00 0.00 0.00 0.00 23.12 22.27 1ba9 s ALA 6 CO -0.00 -0.63 1.12 0.14 0.00 0.00 0.00 175.76 176.39 1ba9 s VAL 7 N 1.97 4.30 0.36 0.00 -7.23 -1.25 -0.71 120.40 117.84 1ba9 s VAL 7 Ca 0.04 -0.65 -0.28 0.00 -1.81 0.00 0.00 61.98 59.27 1ba9 s VAL 7 Cb -0.13 -4.79 -0.11 0.00 0.56 0.00 0.00 36.38 31.90 1ba9 s VAL 7 CO -0.06 -1.59 1.47 0.18 -0.31 0.00 0.00 175.10 174.80 1ba9 n LEU 8 N 7.76 4.50 -3.71 1.32 4.32 0.14 -4.39 117.00 126.95 1ba9 n LEU 8 Ca 0.10 1.21 -0.13 0.00 -0.02 0.00 0.00 56.01 57.16 1ba9 n LEU 8 Cb 0.48 -1.59 -0.09 0.00 -1.62 0.00 0.00 43.42 40.59 1ba9 n LEU 8 CO 0.61 0.05 0.15 -0.75 -1.22 0.00 0.00 177.39 176.23 1ba9 s LYS 9 N -1.79 0.58 0.00 3.23 2.20 -0.06 -0.64 119.74 123.26 1ba9 s LYS 9 Ca 0.55 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1ba9 s LYS 9 Cb -0.50 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1ba9 s LYS 9 CO 0.61 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1ba9 n GLY 10 N 2.62 5.55 0.23 5.54 0.00 0.17 -0.85 105.19 118.45 1ba9 n GLY 10 Ca -0.14 -2.03 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 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 0.62 -1.45 1.61 1.82 -1.87 -3.45 116.42 113.70 1ba9 h ASP 11 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1ba9 h ASP 11 Cb 0.00 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.86 1ba9 h ASP 11 CO 0.00 0.45 0.00 0.61 -1.61 0.00 0.00 179.24 178.69 1ba9 n GLY 12 N -1.26 1.70 0.00 -0.78 0.00 -1.26 -4.97 105.19 98.63 1ba9 n GLY 12 Ca 0.04 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 0.45 -1.46 1.61 -0.04 -1.26 -4.74 135.00 129.56 1ba9 n PRO 13 Ca 0.00 0.04 -0.45 0.00 -0.04 0.00 0.00 63.50 63.05 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 0.00 -4.30 0.52 0.31 -1.25 -4.61 118.33 107.77 1ba9 n VAL 14 Ca 0.13 -0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 1ba9 n VAL 14 Cb 0.18 -0.90 -0.10 0.00 -0.91 0.00 0.00 33.84 32.11 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 8.11 1.25 -0.27 5.55 -2.07 -0.28 -0.66 119.66 131.30 1ba9 s GLN 15 Ca 1.26 -1.61 -0.24 0.00 -1.82 0.00 0.00 55.36 52.95 1ba9 s GLN 15 Cb -1.13 -0.58 0.07 0.00 -1.09 0.00 0.00 33.01 30.29 1ba9 s GLN 15 CO 0.49 -0.06 0.73 0.20 -1.32 0.00 0.00 175.29 175.33 1ba9 s GLY 16 N -3.26 -0.54 -0.50 2.60 0.00 0.19 0.43 107.32 106.24 1ba9 s GLY 16 Ca 0.25 2.10 -0.19 0.00 0.00 0.00 0.00 44.72 46.88 1ba9 s GLY 16 CO 0.06 1.83 0.61 -0.42 0.00 0.00 0.00 173.10 175.18 1ba9 s ILE 17 N 0.52 4.90 0.08 0.90 1.01 -0.51 0.28 121.20 128.39 1ba9 s ILE 17 Ca -0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1ba9 s ILE 17 Cb -0.05 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1ba9 s ILE 17 CO -0.02 -0.78 0.49 -0.63 0.00 0.00 0.00 174.94 174.01 1ba9 s ILE 18 N 2.56 4.92 0.06 2.92 -1.09 0.12 -0.95 121.20 129.72 1ba9 s ILE 18 Ca 0.14 0.85 0.05 0.00 -2.23 0.00 0.00 60.65 59.47 1ba9 s ILE 18 Cb -0.19 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1ba9 s ILE 18 CO 0.12 0.41 -0.15 0.20 -1.23 0.00 0.00 174.94 174.29 1ba9 s ASN 19 N -1.42 1.75 -0.06 3.58 -0.87 0.27 -0.90 114.94 117.29 1ba9 s ASN 19 Ca 0.31 -0.54 0.03 0.00 -1.57 0.00 0.00 52.86 51.09 1ba9 s ASN 19 Cb -0.16 -0.09 0.01 0.00 -0.02 0.00 0.00 41.25 40.99 1ba9 s ASN 19 CO 0.17 -0.00 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.21 1ba9 s PHE 20 N -1.03 1.49 0.11 2.20 0.40 0.14 -0.96 117.98 120.33 1ba9 s PHE 20 Ca 0.01 -0.52 0.11 0.00 -0.60 0.00 0.00 56.93 55.92 1ba9 s PHE 20 Cb -0.09 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1ba9 s PHE 20 CO 0.02 -0.25 -0.27 -1.21 0.70 0.00 0.00 175.22 174.21 1ba9 s GLU 21 N 0.52 1.48 0.04 0.44 2.02 -0.59 -0.31 118.70 122.31 1ba9 s GLU 21 Ca -0.12 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 53.57 1ba9 s GLU 21 Cb -0.15 -1.90 -0.00 0.00 0.10 0.00 0.00 34.13 32.18 1ba9 s GLU 21 CO 0.03 0.46 -0.03 0.94 0.02 0.00 0.00 175.26 176.69 1ba9 n GLN 22 N 1.12 0.04 0.00 1.61 -0.06 -0.53 -0.93 117.38 118.63 1ba9 n GLN 22 Ca -0.18 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1ba9 n GLN 22 Cb 0.53 -0.41 0.00 0.00 -4.06 0.00 0.00 30.24 26.30 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ba9 n LYS 23 N -3.21 0.00 0.04 3.69 5.02 -1.23 -4.52 118.16 117.95 1ba9 n LYS 23 Ca -0.01 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1ba9 n LYS 23 Cb 0.04 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.27 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ba9 n GLU 24 N 0.00 0.04 0.00 1.97 4.07 -1.26 -4.63 120.64 120.83 1ba9 n GLU 24 Ca 0.00 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1ba9 n GLU 24 Cb 0.00 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ba9 n SER 25 N -1.71 0.00 -1.97 4.31 2.88 -1.26 -4.11 113.62 111.75 1ba9 n SER 25 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1ba9 n SER 25 Cb 0.07 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.58 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 1.97 3.44 0.00 -3.46 4.13 -1.26 -4.55 115.26 115.53 1ba9 n ASN 26 Ca 0.00 -3.26 0.00 0.00 1.68 0.00 0.00 54.58 53.00 1ba9 n ASN 26 Cb 0.00 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 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 -0.67 6.17 3.66 7.41 0.00 -1.26 -5.08 105.19 115.41 1ba9 n GLY 27 Ca 0.29 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 1.57 4.18 0.24 1.61 0.04 -1.26 -4.77 135.00 136.61 1ba9 s PRO 28 Ca 0.00 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1ba9 s PRO 28 Cb 0.00 -3.79 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 1ba9 s PRO 28 CO 0.00 -0.78 1.09 0.08 0.04 0.00 0.00 177.00 177.43 1ba9 s VAL 29 N 3.66 3.67 -0.25 -0.36 1.01 0.55 -4.80 120.40 123.88 1ba9 s VAL 29 Ca 0.55 1.59 -0.15 0.00 0.00 0.00 0.00 61.98 63.98 1ba9 s VAL 29 Cb -0.21 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1ba9 s VAL 29 CO 0.16 0.34 0.36 -0.54 0.00 0.00 0.00 175.10 175.43 1ba9 s LYS 30 N -1.04 4.05 -0.15 2.72 1.02 -0.10 -1.23 119.74 125.02 1ba9 s LYS 30 Ca 0.46 0.06 -0.09 0.00 0.02 0.00 0.00 55.97 56.42 1ba9 s LYS 30 Cb -0.31 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 1ba9 s LYS 30 CO 0.38 -0.20 0.15 0.08 -0.92 0.00 0.00 175.35 174.84 1ba9 s VAL 31 N 1.84 5.45 0.25 3.17 1.01 0.57 -1.53 120.40 131.15 1ba9 s VAL 31 Ca 0.15 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1ba9 s VAL 31 Cb -0.15 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1ba9 s VAL 31 CO 0.09 0.54 0.58 -1.66 0.00 0.00 0.00 175.10 174.65 1ba9 s TRP 32 N -0.43 0.06 -0.04 5.22 -2.14 -0.13 -0.64 118.94 120.84 1ba9 s TRP 32 Ca 0.13 -0.46 -0.20 0.00 2.66 0.00 0.00 56.10 58.23 1ba9 s TRP 32 Cb -0.12 0.42 0.07 0.00 -3.10 0.00 0.00 33.47 30.74 1ba9 s TRP 32 CO 0.02 -1.07 0.90 0.41 -2.66 0.00 0.00 176.95 174.55 1ba9 n GLY 33 N -0.40 0.26 2.97 3.67 0.00 -0.30 -0.56 105.19 110.83 1ba9 n GLY 33 Ca -0.04 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.98 -0.08 0.87 1.61 0.15 -0.13 -0.50 113.70 112.64 1ba9 s SER 34 Ca 0.21 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.13 1ba9 s SER 34 Cb -0.00 1.32 0.11 0.00 -1.71 0.00 0.00 66.02 65.74 1ba9 s SER 34 CO -0.01 -0.29 1.14 -0.63 1.20 0.00 0.00 173.24 174.65 1ba9 s ILE 35 N 2.61 2.15 -0.29 6.45 1.01 -0.62 -1.42 121.20 131.08 1ba9 s ILE 35 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1ba9 s ILE 35 Cb -0.15 -2.88 0.19 0.00 0.01 0.00 0.00 42.46 39.63 1ba9 s ILE 35 CO -0.17 -0.06 0.53 -0.75 0.00 0.00 0.00 174.94 174.49 1ba9 s LYS 36 N -5.35 0.51 0.00 2.79 2.20 0.17 -3.87 119.74 116.18 1ba9 s LYS 36 Ca 0.63 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1ba9 s LYS 36 Cb -0.14 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1ba9 s LYS 36 CO 0.52 -1.04 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1ba9 n GLY 37 N 5.40 -0.16 3.59 5.54 0.00 -0.04 -1.12 105.19 118.40 1ba9 n GLY 37 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 38 N 0.00 0.62 0.13 0.99 2.01 -0.97 -4.56 118.68 116.90 1ba9 s LEU 38 Ca 0.00 0.50 0.03 0.00 0.01 0.00 0.00 54.13 54.67 1ba9 s LEU 38 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 1ba9 s LEU 38 CO 0.00 -4.26 0.21 0.42 1.01 0.00 0.00 176.35 173.73 1ba9 s THR 39 N -3.06 5.03 0.69 5.49 -4.23 -1.26 -4.05 115.64 114.25 1ba9 s THR 39 Ca 0.72 -0.75 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1ba9 s THR 39 Cb -0.07 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1ba9 s THR 39 CO 0.56 -0.03 0.73 -1.84 -0.54 0.00 0.00 174.62 173.49 1ba9 n GLU 40 N -0.24 0.45 0.00 3.99 -0.00 -1.23 -4.55 120.64 119.06 1ba9 n GLU 40 Ca -0.07 0.20 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 1ba9 n GLU 40 Cb 0.53 -1.99 0.00 0.00 -0.00 0.00 0.00 31.44 29.99 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 1.43 1.37 3.53 -1.84 0.00 -0.86 -4.88 105.19 103.94 1ba9 n GLY 41 Ca 0.12 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.52 -0.06 0.99 2.34 -1.26 -2.06 118.68 118.11 1ba9 s LEU 42 Ca 0.00 0.48 -0.04 0.00 0.06 0.00 0.00 54.13 54.63 1ba9 s LEU 42 Cb 0.00 2.25 0.03 0.00 -0.56 0.00 0.00 46.19 47.90 1ba9 s LEU 42 CO 0.00 -0.54 0.16 -1.00 -1.06 0.00 0.00 176.35 173.91 1ba9 s HIS 43 N -1.53 -0.18 0.44 3.48 3.76 -1.25 -2.91 115.29 117.10 1ba9 s HIS 43 Ca -0.05 0.46 -0.26 0.00 -0.15 0.00 0.00 55.06 55.06 1ba9 s HIS 43 Cb -0.00 0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.61 1ba9 s HIS 43 CO 0.03 -0.12 1.43 0.20 -0.85 0.00 0.00 174.74 175.43 1ba9 s GLY 44 N 0.55 2.92 -0.19 -2.22 0.00 0.50 -0.51 107.32 108.37 1ba9 s GLY 44 Ca -0.04 1.47 -0.04 0.00 0.00 0.00 0.00 44.72 46.12 1ba9 s GLY 44 CO -0.03 2.09 0.06 -0.12 0.00 0.00 0.00 173.10 175.10 1ba9 s PHE 45 N -1.19 0.74 0.13 1.90 5.36 0.14 -1.50 117.98 123.55 1ba9 s PHE 45 Ca 0.60 -0.69 -0.14 0.00 -0.96 0.00 0.00 56.93 55.75 1ba9 s PHE 45 Cb -0.44 -0.92 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 1ba9 s PHE 45 CO 0.57 -0.58 0.35 -1.01 -1.46 0.00 0.00 175.22 173.09 1ba9 s HIS 46 N 1.95 -0.02 -0.26 10.12 3.76 -1.05 -2.45 115.29 127.35 1ba9 s HIS 46 Ca 0.00 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.37 1ba9 s HIS 46 Cb -0.17 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 1ba9 s HIS 46 CO -0.09 -0.70 0.70 0.08 -0.85 0.00 0.00 174.74 173.88 1ba9 s VAL 47 N -3.85 4.92 -0.14 -0.90 1.01 -0.54 -0.94 120.40 119.96 1ba9 s VAL 47 Ca 0.06 1.24 -0.20 0.00 0.00 0.00 0.00 61.98 63.08 1ba9 s VAL 47 Cb 0.02 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1ba9 s VAL 47 CO -0.09 -0.03 0.56 -1.00 0.00 0.00 0.00 175.10 174.54 1ba9 s HIS 48 N 2.64 3.46 -0.39 5.22 3.76 0.30 -0.66 115.29 129.63 1ba9 s HIS 48 Ca 0.29 0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 55.85 1ba9 s HIS 48 Cb -0.15 -2.68 0.02 0.00 1.11 0.00 0.00 32.58 30.88 1ba9 s HIS 48 CO 0.09 0.01 1.13 -2.00 -0.85 0.00 0.00 174.74 173.12 1ba9 s GLU 49 N 1.18 3.89 0.00 1.40 -6.30 -0.93 -3.71 118.70 114.22 1ba9 s GLU 49 Ca 0.28 0.85 0.00 0.00 -2.50 0.00 0.00 54.97 53.61 1ba9 s GLU 49 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 34.13 30.14 1ba9 s GLU 49 CO 0.12 -1.15 0.00 0.39 0.02 0.00 0.00 175.26 174.63 1ba9 n GLU 50 N 7.37 0.00 0.00 4.30 1.02 -1.26 -2.91 120.64 129.17 1ba9 n GLU 50 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1ba9 n GLU 50 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 -1.66 3.49 0.00 -1.26 -4.88 120.64 116.33 1ba9 n GLU 51 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 1ba9 n GLU 51 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ba9 s ASP 52 N 0.00 4.75 -0.03 4.31 -1.08 -1.26 -4.83 116.67 118.53 1ba9 s ASP 52 Ca 0.00 1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 53.09 1ba9 s ASP 52 Cb 0.00 -2.51 -0.06 0.00 -1.46 0.00 0.00 42.92 38.89 1ba9 s ASP 52 CO 0.00 -2.65 2.45 0.59 0.52 0.00 0.00 175.17 176.09 1ba9 n ASN 53 N 14.69 5.41 -0.30 -0.34 5.03 -1.26 -4.63 115.26 133.86 1ba9 n ASN 53 Ca 0.33 -2.48 0.02 0.00 0.87 0.00 0.00 54.58 53.31 1ba9 n ASN 53 Cb 0.53 -1.21 0.16 0.00 -1.02 0.00 0.00 39.78 38.24 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1ba9 h THR 54 N 1.29 0.97 0.00 3.41 1.35 -1.91 0.60 112.91 118.62 1ba9 h THR 54 Ca 0.08 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1ba9 h THR 54 Cb 1.13 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1ba9 h THR 54 CO 0.12 0.16 0.06 0.00 -0.25 0.00 0.00 175.52 175.62 1ba9 n ALA 55 N -2.36 0.95 0.00 6.62 0.00 -1.26 -4.78 120.51 119.68 1ba9 n ALA 55 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ba9 n ALA 55 Cb 0.23 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.29 0.61 2.81 0.00 0.00 0.15 -4.58 105.19 102.89 1ba9 n GLY 56 Ca -0.01 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 s THR 58 N -3.01 0.65 0.00 0.00 2.01 -1.26 -4.92 115.64 109.11 1ba9 s THR 58 Ca 0.18 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.50 1ba9 s THR 58 Cb -0.09 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1ba9 s THR 58 CO 0.23 -0.73 0.00 -1.20 -0.69 0.00 0.00 174.62 172.23 1ba9 n SER 59 N 0.40 0.00 0.00 3.53 7.64 -1.26 -4.60 113.62 119.33 1ba9 n SER 59 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1ba9 n SER 59 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba9 n ALA 60 N 0.93 0.00 -2.59 -0.43 0.00 -1.26 -4.70 120.51 112.46 1ba9 n ALA 60 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ba9 n ALA 60 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.21 2.72 0.46 0.00 0.00 -1.14 -5.01 107.32 104.12 1ba9 s GLY 61 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.77 1ba9 s GLY 61 CO 0.00 -2.08 0.51 -1.55 0.00 0.00 0.00 173.10 169.98 1ba9 n PRO 62 N -1.45 -1.18 -1.64 2.90 -0.04 -1.26 -4.38 135.00 127.96 1ba9 n PRO 62 Ca -0.11 -0.80 -0.48 0.00 -0.04 0.00 0.00 63.50 62.07 1ba9 n PRO 62 Cb 0.66 -0.62 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 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 -3.10 1.93 -1.64 0.54 8.25 -1.26 -2.19 115.22 117.75 1ba9 n HIS 63 Ca 0.07 0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 57.57 1ba9 n HIS 63 Cb 0.24 -2.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.88 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 0.62 1.19 -0.38 4.41 2.19 0.17 -4.77 117.98 121.41 1ba9 s PHE 64 Ca 0.80 1.07 0.01 0.00 0.33 0.00 0.00 56.93 59.13 1ba9 s PHE 64 Cb -0.79 -3.78 0.12 0.00 -1.31 0.00 0.00 43.02 37.27 1ba9 s PHE 64 CO 0.43 -3.14 0.19 1.21 1.83 0.00 0.00 175.22 175.74 1ba9 s ASN 65 N 10.07 3.70 -0.09 6.13 3.04 -1.26 -2.47 114.94 134.05 1ba9 s ASN 65 Ca 0.96 -2.23 -0.26 0.00 0.04 0.00 0.00 52.86 51.37 1ba9 s ASN 65 Cb -0.23 -0.90 -0.26 0.00 -1.54 0.00 0.00 41.25 38.32 1ba9 s ASN 65 CO 0.30 -0.32 0.89 1.55 -3.04 0.00 0.00 177.10 176.47 1ba9 h PRO 66 N 7.23 0.11 0.00 0.43 0.13 -1.94 -3.43 132.00 134.54 1ba9 h PRO 66 Ca -0.04 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1ba9 h PRO 66 Cb 0.96 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1ba9 h PRO 66 CO 0.45 1.01 -0.02 1.28 -0.23 0.00 0.00 178.00 180.49 1ba9 n LEU 67 N -4.48 -0.05 -2.47 1.56 4.77 -1.26 -4.97 117.00 110.09 1ba9 n LEU 67 Ca -0.11 -1.05 -0.33 0.00 -0.03 0.00 0.00 56.01 54.50 1ba9 n LEU 67 Cb 0.55 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1ba9 n LEU 67 CO 0.39 1.02 1.47 -1.20 -1.33 0.00 0.00 177.39 177.74 1ba9 n SER 68 N 0.00 7.30 0.00 -1.43 7.64 -1.26 -5.02 113.62 120.85 1ba9 n SER 68 Ca -0.01 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1ba9 n SER 68 Cb 0.51 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1ba9 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ba9 n ARG 69 N -0.36 0.00 -1.81 1.43 1.74 -1.26 -3.08 116.66 113.32 1ba9 n ARG 69 Ca 0.53 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.46 1ba9 n ARG 69 Cb 0.50 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.02 1ba9 n ARG 69 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ba9 n LYS 70 N 0.00 0.07 -1.70 5.56 5.02 -1.26 -4.81 118.16 121.04 1ba9 n LYS 70 Ca 0.00 -1.71 -0.34 0.00 -2.02 0.00 0.00 58.31 54.24 1ba9 n LYS 70 Cb 0.00 -0.46 0.06 0.00 -0.02 0.00 0.00 35.03 34.61 1ba9 n LYS 70 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ba9 s HIS 71 N -1.97 2.33 -1.02 2.13 5.65 0.35 -3.05 115.29 119.71 1ba9 s HIS 71 Ca 0.43 1.56 0.00 0.00 0.25 0.00 0.00 55.06 57.30 1ba9 s HIS 71 Cb -0.02 -3.37 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 1ba9 s HIS 71 CO 0.29 -2.18 0.00 0.41 -0.65 0.00 0.00 174.74 172.61 1ba9 n GLY 72 N 0.12 -1.03 3.53 1.59 0.00 -1.25 -4.13 105.19 104.02 1ba9 n GLY 72 Ca 0.12 -0.82 -0.24 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 1.86 0.46 -0.02 0.00 -0.97 -4.48 107.32 104.16 1ba9 s GLY 73 Ca 0.00 -1.84 0.32 0.00 0.00 0.00 0.00 44.72 43.20 1ba9 s GLY 73 CO 0.00 -1.90 1.96 -0.56 0.00 0.00 0.00 173.10 172.60 1ba9 h PRO 74 N 2.12 0.00 0.00 2.90 0.13 -1.83 0.77 132.00 136.08 1ba9 h PRO 74 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ba9 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ba9 h PRO 74 CO 0.61 0.00 -0.18 0.36 -0.23 0.00 0.00 178.00 178.56 1ba9 n LYS 75 N -2.65 0.08 -3.64 0.86 2.85 -1.26 -4.90 118.16 109.50 1ba9 n LYS 75 Ca -0.01 0.05 -0.20 0.00 -1.05 0.00 0.00 58.31 57.09 1ba9 n LYS 75 Cb 0.11 -1.57 -0.03 0.00 -0.65 0.00 0.00 35.03 32.89 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ba9 s ASP 76 N -3.40 5.31 0.28 -5.58 1.11 0.26 -5.03 116.67 109.63 1ba9 s ASP 76 Ca 0.12 -0.53 0.02 0.00 0.18 0.00 0.00 52.55 52.34 1ba9 s ASP 76 Cb 0.17 -0.85 0.41 0.00 1.07 0.00 0.00 42.92 43.71 1ba9 s ASP 76 CO 0.60 -0.48 1.72 -0.33 1.18 0.00 0.00 175.17 177.86 1ba9 h GLU 77 N 1.10 0.50 -5.80 8.23 5.08 -1.91 -3.43 114.58 118.35 1ba9 h GLU 77 Ca -0.43 -0.18 -0.64 0.00 -1.00 0.00 0.00 59.36 57.10 1ba9 h GLU 77 Cb 1.26 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1ba9 h GLU 77 CO 0.56 0.70 -0.35 -2.00 -1.00 0.00 0.00 179.01 176.93 1ba9 s GLU 78 N -4.52 3.68 0.00 2.33 2.12 -1.26 -5.04 118.70 116.01 1ba9 s GLU 78 Ca -0.07 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1ba9 s GLU 78 Cb 0.14 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1ba9 s GLU 78 CO 0.79 0.72 0.00 2.89 -0.54 0.00 0.00 175.26 179.12 1ba9 n ARG 79 N 1.97 0.00 -0.78 4.30 -4.01 -1.17 -2.30 116.66 114.67 1ba9 n ARG 79 Ca -0.17 0.00 -0.24 0.00 -1.04 0.00 0.00 57.85 56.40 1ba9 n ARG 79 Cb 0.54 0.00 0.20 0.00 -3.04 0.00 0.00 32.46 30.16 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1ba9 n HIS 80 N 0.00 -3.70 0.35 2.89 8.25 -1.18 -4.64 115.22 117.20 1ba9 n HIS 80 Ca 0.00 -0.78 -0.16 0.00 -0.26 0.00 0.00 57.72 56.52 1ba9 n HIS 80 Cb 0.00 -0.92 -0.08 0.00 1.12 0.00 0.00 29.99 30.11 1ba9 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ba9 h VAL 81 N -2.57 0.00 -1.96 1.59 2.07 -1.73 -3.17 116.25 110.49 1ba9 h VAL 81 Ca -0.33 0.00 -0.75 0.00 0.82 0.00 0.00 66.70 66.44 1ba9 h VAL 81 Cb 1.01 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 30.50 1ba9 h VAL 81 CO 0.21 0.00 0.86 0.61 0.02 0.00 0.00 177.57 179.28 1ba9 n GLY 82 N -1.51 5.60 2.77 2.17 0.00 -1.24 -4.79 105.19 108.20 1ba9 n GLY 82 Ca -0.12 -2.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.02 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 83 N -0.51 5.42 -2.75 1.61 2.03 -1.20 -1.47 116.55 119.69 1ba9 n ASP 83 Ca 0.52 -3.44 -0.29 0.00 0.52 0.00 0.00 54.79 52.10 1ba9 n ASP 83 Cb 0.28 -1.03 -0.07 0.00 -0.72 0.00 0.00 41.12 39.59 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 84 N 1.07 6.92 0.00 -2.67 4.77 -1.02 -4.08 117.00 121.98 1ba9 n LEU 84 Ca 0.28 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 1ba9 n LEU 84 Cb 0.36 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1ba9 n LEU 84 CO 0.60 1.86 0.00 0.61 -1.33 0.00 0.00 177.39 179.12 1ba9 n GLY 85 N 1.83 0.00 3.25 -0.72 0.00 -1.26 -4.36 105.19 103.94 1ba9 n GLY 85 Ca 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.39 0.00 1.61 2.20 -1.26 -0.69 114.94 117.19 1ba9 s ASN 86 Ca 0.00 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.50 1ba9 s ASN 86 Cb 0.00 0.43 0.00 0.00 -2.00 0.00 0.00 41.25 39.68 1ba9 s ASN 86 CO 0.00 -0.91 0.00 1.33 -2.94 0.00 0.00 177.10 174.58 1ba9 n VAL 87 N -0.34 0.00 -3.39 3.54 0.24 0.33 -4.84 118.33 113.87 1ba9 n VAL 87 Ca 0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.18 1ba9 n VAL 87 Cb 0.65 -0.12 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 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 1.31 -0.47 0.25 3.34 2.01 -1.26 -3.76 115.64 117.06 1ba9 s THR 88 Ca 0.00 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 1ba9 s THR 88 Cb 0.00 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 1ba9 s THR 88 CO 0.00 -0.30 0.95 0.00 -0.69 0.00 0.00 174.62 174.58 1ba9 s ALA 89 N 2.43 3.33 1.08 7.40 0.00 -0.87 -4.10 121.76 131.03 1ba9 s ALA 89 Ca 0.10 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1ba9 s ALA 89 Cb -0.14 -3.21 0.23 0.00 0.00 0.00 0.00 23.12 19.99 1ba9 s ALA 89 CO -0.24 0.19 1.09 -0.51 0.00 0.00 0.00 175.76 176.29 1ba9 s ASP 90 N -1.20 1.92 0.60 0.00 1.01 0.50 -2.03 116.67 117.47 1ba9 s ASP 90 Ca 0.42 1.06 0.29 0.00 0.71 0.00 0.00 52.55 55.02 1ba9 s ASP 90 Cb -0.26 -1.63 1.54 0.00 1.01 0.00 0.00 42.92 43.58 1ba9 s ASP 90 CO 0.32 -3.56 1.94 0.07 0.21 0.00 0.00 175.17 174.15 1ba9 h LYS 91 N -2.19 0.00 -0.00 8.23 2.10 -1.96 0.93 116.57 123.68 1ba9 h LYS 91 Ca -0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 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 0.51 0.00 -0.48 -3.47 -2.00 0.00 0.00 179.45 174.02 1ba9 n ASP 92 N -3.60 0.86 -0.06 7.07 2.03 -1.26 -4.80 116.55 116.79 1ba9 n ASP 92 Ca 0.05 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.70 1ba9 n ASP 92 Cb 0.55 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 1.44 0.69 3.24 0.27 0.00 0.32 -4.66 105.19 106.49 1ba9 n GLY 93 Ca 0.08 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.12 3.12 -0.42 1.61 1.01 -1.26 -0.86 120.40 121.48 1ba9 s VAL 94 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1ba9 s VAL 94 Cb 0.00 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.88 1ba9 s VAL 94 CO 0.00 0.23 0.28 0.00 0.00 0.00 0.00 175.10 175.61 1ba9 s ALA 95 N 1.38 3.37 -0.57 5.51 0.00 -1.25 -0.37 121.76 129.83 1ba9 s ALA 95 Ca 0.02 -1.95 -0.26 0.00 0.00 0.00 0.00 51.96 49.77 1ba9 s ALA 95 Cb -0.16 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.23 1ba9 s ALA 95 CO -0.03 -1.56 1.07 -0.51 0.00 0.00 0.00 175.76 174.73 1ba9 s ASP 96 N 2.00 6.38 0.27 0.00 1.01 -1.26 -1.59 116.67 123.48 1ba9 s ASP 96 Ca 0.03 -0.14 -0.22 0.00 0.71 0.00 0.00 52.55 52.93 1ba9 s ASP 96 Cb -0.22 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 1ba9 s ASP 96 CO 0.06 -1.37 0.81 -0.69 0.21 0.00 0.00 175.17 174.18 1ba9 s VAL 97 N 4.48 4.45 -0.30 -1.27 1.01 0.35 -4.79 120.40 124.34 1ba9 s VAL 97 Ca 0.36 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.80 1ba9 s VAL 97 Cb -0.10 -3.88 0.19 0.00 0.00 0.00 0.00 36.38 32.59 1ba9 s VAL 97 CO 0.22 0.14 0.73 -0.55 0.00 0.00 0.00 175.10 175.64 1ba9 s SER 98 N -1.70 -1.25 0.36 3.32 0.15 -1.26 -1.15 113.70 112.17 1ba9 s SER 98 Ca 0.47 0.12 -0.05 0.00 0.70 0.00 0.00 55.95 57.19 1ba9 s SER 98 Cb -0.17 1.79 0.01 0.00 -1.71 0.00 0.00 66.02 65.94 1ba9 s SER 98 CO 0.21 -0.23 0.54 -0.51 1.20 0.00 0.00 173.24 174.46 1ba9 s ILE 99 N 2.83 0.00 0.07 6.45 2.07 0.19 -5.00 121.20 127.81 1ba9 s ILE 99 Ca 0.16 -1.48 -0.08 0.00 -1.41 0.00 0.00 60.65 57.84 1ba9 s ILE 99 Cb -0.07 -2.70 -0.00 0.00 0.13 0.00 0.00 42.46 39.82 1ba9 s ILE 99 CO -0.24 0.00 0.17 -1.83 -1.91 0.00 0.00 174.94 171.13 1ba9 s GLU 100 N -2.87 0.76 0.05 3.50 -1.05 -1.26 -0.32 118.70 117.52 1ba9 s GLU 100 Ca 0.27 -0.85 -0.09 0.00 -0.15 0.00 0.00 54.97 54.16 1ba9 s GLU 100 Cb -0.01 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1ba9 s GLU 100 CO 0.19 -0.23 0.19 0.34 0.95 0.00 0.00 175.26 176.70 1ba9 s ASP 101 N -2.55 0.06 -0.01 0.83 -1.08 -0.36 -4.95 116.67 108.61 1ba9 s ASP 101 Ca 0.01 -0.43 0.21 0.00 -0.52 0.00 0.00 52.55 51.82 1ba9 s ASP 101 Cb 0.03 0.30 -0.25 0.00 -1.46 0.00 0.00 42.92 41.54 1ba9 s ASP 101 CO -0.08 -0.59 0.54 -1.54 0.52 0.00 0.00 175.17 174.02 1ba9 n SER 102 N 0.54 0.23 0.01 -0.34 3.41 -1.26 -0.33 113.62 115.89 1ba9 n SER 102 Ca -0.18 0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.52 1ba9 n SER 102 Cb 0.60 1.38 -0.00 0.00 -0.26 0.00 0.00 64.21 65.92 1ba9 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ba9 h VAL 103 N 0.00 0.00 -4.20 -3.33 2.07 -1.96 -3.46 116.25 105.37 1ba9 h VAL 103 Ca -0.11 -0.11 -0.52 0.00 0.82 0.00 0.00 66.70 66.78 1ba9 h VAL 103 Cb 1.27 0.00 0.12 0.00 -1.52 0.00 0.00 31.29 31.16 1ba9 h VAL 103 CO 0.01 0.00 0.37 0.27 0.02 0.00 0.00 177.57 178.24 1ba9 s ILE 104 N -1.59 2.92 0.32 4.57 -5.25 -1.26 -4.92 121.20 115.99 1ba9 s ILE 104 Ca -0.01 0.42 -0.13 0.00 -0.99 0.00 0.00 60.65 59.94 1ba9 s ILE 104 Cb 0.00 -2.93 0.05 0.00 2.95 0.00 0.00 42.46 42.53 1ba9 s ILE 104 CO 0.02 -0.27 0.70 -1.20 -1.79 0.00 0.00 174.94 172.40 1ba9 n SER 105 N -2.64 -1.92 -2.13 4.36 7.64 -1.18 -4.47 113.62 113.27 1ba9 n SER 105 Ca 0.11 -2.30 -0.21 0.00 1.01 0.00 0.00 58.87 57.47 1ba9 n SER 105 Cb 0.52 3.20 0.19 0.00 -1.01 0.00 0.00 64.21 67.10 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 6.49 0.00 -3.43 4.77 -1.26 -0.50 117.00 123.07 1ba9 n LEU 106 Ca -0.07 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 1ba9 n LEU 106 Cb 0.51 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1ba9 n LEU 106 CO 0.23 1.06 0.00 -1.20 -1.33 0.00 0.00 177.39 176.15 1ba9 n SER 107 N -1.10 0.00 0.00 -1.43 7.64 -1.26 -4.74 113.62 112.73 1ba9 n SER 107 Ca 0.57 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1ba9 n SER 107 Cb 1.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ba9 n GLY 108 N 4.19 -0.27 0.48 0.23 0.00 -1.26 -4.04 105.19 104.51 1ba9 n GLY 108 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ba9 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 109 N 0.00 -1.08 0.91 1.61 1.82 -1.99 -3.05 116.42 114.64 1ba9 h ASP 109 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1ba9 h ASP 109 Cb 0.00 0.30 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1ba9 h ASP 109 CO 0.00 -0.71 0.00 1.41 -1.61 0.00 0.00 179.24 178.33 1ba9 n HIS 110 N -5.59 0.69 -1.32 0.28 8.25 -1.26 -4.86 115.22 111.41 1ba9 n HIS 110 Ca -0.15 0.25 -0.53 0.00 -0.26 0.00 0.00 57.72 57.03 1ba9 n HIS 110 Cb 0.47 -0.90 -0.08 0.00 1.12 0.00 0.00 29.99 30.59 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 -2.11 0.89 0.12 0.41 2.88 -1.16 -3.13 113.62 111.52 1ba9 n SER 111 Ca 0.03 0.86 0.13 0.00 -1.33 0.00 0.00 58.87 58.57 1ba9 n SER 111 Cb 0.28 -0.72 0.39 0.00 -0.75 0.00 0.00 64.21 63.41 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 4.44 0.00 -2.09 2.46 3.07 -1.12 -3.45 117.51 120.81 1ba9 h ILE 112 Ca -0.29 -0.52 -0.61 0.00 1.55 0.00 0.00 64.86 64.99 1ba9 h ILE 112 Cb 1.12 1.51 0.03 0.00 -0.27 0.00 0.00 36.82 39.21 1ba9 h ILE 112 CO 0.81 0.00 1.03 -0.38 -1.05 0.00 0.00 178.15 178.57 1ba9 n ILE 113 N -2.35 0.45 -0.47 0.16 2.08 -1.26 -1.27 119.36 116.70 1ba9 n ILE 113 Ca 0.05 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1ba9 n ILE 113 Cb 0.43 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 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 4.18 0.74 3.95 7.39 0.00 -0.02 -5.01 105.19 116.42 1ba9 n GLY 114 Ca 0.21 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.71 2.50 -0.15 1.61 0.52 -0.39 -4.71 118.95 117.61 1ba9 s ARG 115 Ca 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 1ba9 s ARG 115 Cb 0.00 -2.49 0.03 0.00 0.52 0.00 0.00 34.95 33.01 1ba9 s ARG 115 CO 0.00 -0.46 -0.12 0.99 0.02 0.00 0.00 175.30 175.73 1ba9 s THR 116 N -2.55 1.46 -0.09 0.02 2.01 -1.24 -0.45 115.64 114.80 1ba9 s THR 116 Ca 0.51 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 1ba9 s THR 116 Cb -0.05 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1ba9 s THR 116 CO 0.31 0.39 0.50 -0.22 -0.69 0.00 0.00 174.62 174.91 1ba9 s LEU 117 N 1.52 4.31 0.01 4.42 0.20 -0.11 -0.54 118.68 128.50 1ba9 s LEU 117 Ca 0.04 0.90 0.05 0.00 0.69 0.00 0.00 54.13 55.81 1ba9 s LEU 117 Cb -0.13 -2.74 -0.02 0.00 -0.43 0.00 0.00 46.19 42.87 1ba9 s LEU 117 CO -0.10 0.03 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.15 1ba9 s VAL 118 N 0.39 1.26 0.02 1.68 1.01 -0.12 -1.13 120.40 123.51 1ba9 s VAL 118 Ca 0.27 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1ba9 s VAL 118 Cb -0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1ba9 s VAL 118 CO 0.12 0.26 0.01 0.54 0.00 0.00 0.00 175.10 176.03 1ba9 s VAL 119 N -0.52 4.20 0.25 2.92 0.11 -0.12 -2.52 120.40 124.72 1ba9 s VAL 119 Ca 0.05 -0.66 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 1ba9 s VAL 119 Cb -0.07 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.83 1ba9 s VAL 119 CO 0.00 0.31 -0.01 -1.00 -3.33 0.00 0.00 175.10 171.08 1ba9 s HIS 120 N -1.15 2.72 0.08 1.54 3.76 -0.56 -0.77 115.29 120.90 1ba9 s HIS 120 Ca 0.22 -0.21 -0.32 0.00 -0.15 0.00 0.00 55.06 54.60 1ba9 s HIS 120 Cb -0.12 -1.23 -0.18 0.00 1.11 0.00 0.00 32.58 32.16 1ba9 s HIS 120 CO 0.13 0.59 1.64 1.49 -0.85 0.00 0.00 174.74 177.74 1ba9 h GLU 121 N 2.07 -0.76 -6.61 1.40 4.81 -0.51 -3.34 114.58 111.64 1ba9 h GLU 121 Ca -0.45 0.05 -0.45 0.00 -0.13 0.00 0.00 59.36 58.39 1ba9 h GLU 121 Cb 1.24 0.17 0.03 0.00 0.63 0.00 0.00 28.75 30.82 1ba9 h GLU 121 CO 0.59 -0.51 -0.15 0.15 -0.73 0.00 0.00 179.01 178.36 1ba9 s LYS 122 N -6.07 2.55 0.78 1.92 -0.14 0.62 -4.73 119.74 114.68 1ba9 s LYS 122 Ca -0.17 -1.28 -0.14 0.00 -1.36 0.00 0.00 55.97 53.02 1ba9 s LYS 122 Cb 0.04 -2.66 0.07 0.00 -1.68 0.00 0.00 37.83 33.60 1ba9 s LYS 122 CO 0.63 -0.59 1.21 0.00 -0.76 0.00 0.00 175.35 175.83 1ba9 s ALA 123 N -2.56 1.93 0.43 5.17 0.00 -1.15 -0.37 121.76 125.22 1ba9 s ALA 123 Ca 0.58 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 1ba9 s ALA 123 Cb -0.08 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 1ba9 s ALA 123 CO 0.36 -2.16 1.16 0.16 0.00 0.00 0.00 175.76 175.28 1ba9 s ASP 124 N -2.12 6.35 -0.15 0.00 -4.77 -1.26 -4.21 116.67 110.50 1ba9 s ASP 124 Ca 0.74 2.30 0.03 0.00 -3.30 0.00 0.00 52.55 52.31 1ba9 s ASP 124 Cb -0.29 -2.61 0.29 0.00 -1.09 0.00 0.00 42.92 39.23 1ba9 s ASP 124 CO 0.49 -0.79 1.25 -0.67 0.70 0.00 0.00 175.17 176.15 1ba9 n ASP 125 N -0.25 3.18 -2.39 2.11 2.03 0.86 -4.87 116.55 117.21 1ba9 n ASP 125 Ca 0.06 -2.56 -0.14 0.00 0.52 0.00 0.00 54.79 52.67 1ba9 n ASP 125 Cb 0.48 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 126 N -0.03 -1.26 0.00 -2.67 7.99 -1.26 -1.24 117.00 118.54 1ba9 n LEU 126 Ca 0.20 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 1ba9 n LEU 126 Cb 0.87 -2.26 0.00 0.00 -0.11 0.00 0.00 43.42 41.91 1ba9 n LEU 126 CO 0.21 -0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.53 1ba9 n GLY 127 N -0.81 0.01 0.90 -0.72 0.00 -1.26 -4.31 105.19 99.01 1ba9 n GLY 127 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ba9 n LYS 128 N -2.00 2.26 0.11 1.61 2.85 -0.37 -3.89 118.16 118.72 1ba9 n LYS 128 Ca 0.00 -1.62 0.10 0.00 -1.05 0.00 0.00 58.31 55.74 1ba9 n LYS 128 Cb 0.00 -1.46 0.45 0.00 -0.65 0.00 0.00 35.03 33.37 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba9 n GLY 129 N 1.03 -1.12 3.29 2.58 0.00 -1.26 -4.89 105.19 104.82 1ba9 n GLY 129 Ca 0.15 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N -0.31 -0.33 3.48 -0.02 0.00 -1.25 -4.99 105.19 101.77 1ba9 n GLY 130 Ca 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.39 -0.75 0.14 1.61 2.47 -1.26 -5.03 114.94 108.72 1ba9 s ASN 131 Ca 0.44 1.24 -0.26 0.00 0.42 0.00 0.00 52.86 54.70 1ba9 s ASN 131 Cb -0.20 1.12 -0.06 0.00 -1.45 0.00 0.00 41.25 40.67 1ba9 s ASN 131 CO 0.63 -0.22 1.36 -0.62 -3.72 0.00 0.00 177.10 174.53 1ba9 n GLU 132 N 4.19 -0.38 -0.11 0.43 -0.58 -1.26 -0.11 120.64 122.83 1ba9 n GLU 132 Ca -0.21 1.33 -0.08 0.00 -0.42 0.00 0.00 57.16 57.79 1ba9 n GLU 132 Cb 0.57 -1.96 -0.06 0.00 -0.57 0.00 0.00 31.44 29.42 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1ba9 h GLN 133 N 0.00 -0.19 -0.36 3.49 -0.00 -1.98 0.73 115.11 116.80 1ba9 h GLN 133 Ca 0.14 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.85 1ba9 h GLN 133 Cb 0.35 0.04 -0.08 0.00 0.00 0.00 0.00 27.48 27.79 1ba9 h GLN 133 CO -0.80 -0.13 -0.54 1.03 0.00 0.00 0.00 178.83 178.39 1ba9 h SER 134 N -0.19 -1.78 0.02 -0.69 0.87 -1.75 0.63 113.55 110.66 1ba9 h SER 134 Ca 0.05 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1ba9 h SER 134 Cb 0.33 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1ba9 h SER 134 CO -0.38 -0.42 0.00 0.41 -0.53 0.00 0.00 176.83 175.91 1ba9 n THR 135 N -5.39 0.05 -0.04 2.23 -1.04 0.84 0.70 114.28 111.62 1ba9 n THR 135 Ca -0.04 0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 61.94 1ba9 n THR 135 Cb 0.35 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 68.06 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 -1.02 1.62 0.00 -2.82 4.81 0.24 -0.49 118.16 120.50 1ba9 n LYS 136 Ca 0.12 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1ba9 n LYS 136 Cb 0.06 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.50 0.00 -0.10 3.15 -2.24 0.22 -4.15 114.28 108.66 1ba9 n THR 137 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1ba9 n THR 137 Cb 0.70 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 1.82 0.94 2.62 3.38 0.00 0.22 -4.31 105.19 109.86 1ba9 n GLY 138 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.24 0.00 1.61 5.15 -1.26 -0.10 115.26 116.43 1ba9 n ASN 139 Ca 0.00 0.05 0.13 0.00 -0.60 0.00 0.00 54.58 54.16 1ba9 n ASN 139 Cb 0.00 -3.56 0.79 0.00 -0.53 0.00 0.00 39.78 36.48 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 n ALA 140 N -2.50 2.49 -0.23 5.20 0.00 -1.26 -4.85 120.51 119.36 1ba9 n ALA 140 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ba9 n ALA 140 Cb 0.61 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 0.66 -1.72 3.65 0.00 0.00 -1.26 -0.27 105.19 106.24 1ba9 n GLY 141 Ca 0.20 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 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 2.72 -0.36 1.61 0.15 -1.26 -4.38 113.70 108.18 1ba9 s SER 142 Ca 0.00 1.72 -0.29 0.00 0.70 0.00 0.00 55.95 58.08 1ba9 s SER 142 Cb 0.00 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1ba9 s SER 142 CO 0.00 -3.15 1.13 -0.13 1.20 0.00 0.00 173.24 172.29 1ba9 s ARG 143 N -4.73 3.95 0.14 5.44 3.00 -1.26 -0.55 118.95 124.94 1ba9 s ARG 143 Ca 0.66 0.97 -0.03 0.00 0.00 0.00 0.00 55.73 57.32 1ba9 s ARG 143 Cb -0.21 -3.81 -0.06 0.00 0.00 0.00 0.00 34.95 30.87 1ba9 s ARG 143 CO 0.59 -1.07 1.33 -0.07 0.00 0.00 0.00 175.30 176.08 1ba9 h LEU 144 N 10.53 0.48 -7.11 2.53 -0.00 -1.23 -3.48 115.31 117.04 1ba9 h LEU 144 Ca -0.22 -0.38 -0.04 0.00 -0.00 0.00 0.00 57.88 57.24 1ba9 h LEU 144 Cb 1.07 -0.15 -0.14 0.00 -0.00 0.00 0.00 40.66 41.44 1ba9 h LEU 144 CO 1.06 1.17 0.12 0.00 -0.00 0.00 0.00 178.44 180.79 1ba9 s ALA 145 N -3.30 -1.44 0.01 1.53 0.00 -1.21 -4.11 121.76 113.24 1ba9 s ALA 145 Ca -0.05 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1ba9 s ALA 145 Cb 0.09 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1ba9 s ALA 145 CO 0.86 -0.64 -0.04 0.00 0.00 0.00 0.00 175.76 175.93 1ba9 s GLY 147 N -0.67 -0.59 0.37 0.00 0.00 -0.28 -0.89 107.32 105.25 1ba9 s GLY 147 Ca -0.04 2.26 -0.26 0.00 0.00 0.00 0.00 44.72 46.68 1ba9 s GLY 147 CO -0.00 2.20 1.07 0.54 0.00 0.00 0.00 173.10 176.90 1ba9 s VAL 148 N 1.35 3.64 -0.22 1.40 0.11 -1.26 -0.93 120.40 124.49 1ba9 s VAL 148 Ca -0.08 1.36 -0.14 0.00 -2.93 0.00 0.00 61.98 60.19 1ba9 s VAL 148 Cb -0.05 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 1ba9 s VAL 148 CO -0.15 0.11 0.32 -0.63 -3.33 0.00 0.00 175.10 171.42 1ba9 s ILE 149 N -1.51 5.25 0.20 7.04 1.01 0.41 -3.96 121.20 129.63 1ba9 s ILE 149 Ca 0.54 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 1ba9 s ILE 149 Cb -0.25 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1ba9 s ILE 149 CO 0.32 0.28 0.12 -0.83 0.00 0.00 0.00 174.94 174.82 1ba9 s GLY 150 N 1.07 1.42 0.32 6.18 0.00 0.01 -0.84 107.32 115.48 1ba9 s GLY 150 Ca 0.15 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 1ba9 s GLY 150 CO 0.07 -1.41 1.37 -0.42 0.00 0.00 0.00 173.10 172.70 1ba9 s ILE 151 N -4.11 2.57 0.26 0.90 1.09 -1.26 -0.37 121.20 120.29 1ba9 s ILE 151 Ca 0.37 0.56 -0.13 0.00 -1.10 0.00 0.00 60.65 60.35 1ba9 s ILE 151 Cb 0.07 -3.35 -0.08 0.00 -1.06 0.00 0.00 42.46 38.04 1ba9 s ILE 151 CO 0.11 0.12 0.65 0.00 -0.10 0.00 0.00 174.94 175.72 1ba9 s ALA 152 N -0.91 3.44 -2.00 9.38 0.00 -0.83 -4.58 121.76 126.27 1ba9 s ALA 152 Ca 0.52 -0.08 0.16 0.00 0.00 0.00 0.00 51.96 52.56 1ba9 s ALA 152 Cb -0.41 -2.63 0.98 0.00 0.00 0.00 0.00 23.12 21.06 1ba9 s ALA 152 CO 0.53 0.41 1.39 0.00 0.00 0.00 0.00 175.76 178.09