#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 n THR 2 N 0.00 0.00 -2.67 0.00 5.66 -1.26 -3.47 114.28 112.54 1ba9 n THR 2 Ca 0.00 -0.99 -0.04 0.00 -3.05 0.00 0.00 64.05 59.97 1ba9 n THR 2 Cb 0.00 1.12 0.05 0.00 -1.55 0.00 0.00 70.33 69.95 1ba9 n THR 2 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1ba9 n LYS 3 N 2.22 0.13 -4.41 1.09 0.00 -1.22 -4.80 118.16 111.16 1ba9 n LYS 3 Ca 0.11 -0.79 -0.29 0.00 -0.00 0.00 0.00 58.31 57.35 1ba9 n LYS 3 Cb 0.62 -0.06 -0.13 0.00 -0.00 0.00 0.00 35.03 35.46 1ba9 n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ba9 s ALA 4 N 0.64 2.39 0.03 0.58 0.00 -0.11 -0.30 121.76 125.00 1ba9 s ALA 4 Ca 0.25 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1ba9 s ALA 4 Cb 0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1ba9 s ALA 4 CO -0.10 0.54 -0.08 0.54 0.00 0.00 0.00 175.76 176.66 1ba9 s VAL 5 N -1.05 0.61 -0.31 0.00 0.11 0.52 -0.31 120.40 119.98 1ba9 s VAL 5 Ca 0.14 -0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1ba9 s VAL 5 Cb -0.10 -0.63 0.10 0.00 -1.53 0.00 0.00 36.38 34.23 1ba9 s VAL 5 CO 0.06 -0.23 0.12 0.00 -3.33 0.00 0.00 175.10 171.72 1ba9 s ALA 6 N -1.06 1.20 0.14 1.54 0.00 0.35 -0.78 121.76 123.15 1ba9 s ALA 6 Ca -0.06 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 1ba9 s ALA 6 Cb -0.08 -1.55 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 1ba9 s ALA 6 CO 0.00 -1.71 1.22 0.14 0.00 0.00 0.00 175.76 175.42 1ba9 s VAL 7 N 1.69 3.65 0.00 0.00 -7.23 -1.25 -0.45 120.40 116.81 1ba9 s VAL 7 Ca 0.10 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 1ba9 s VAL 7 Cb -0.18 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1ba9 s VAL 7 CO -0.27 0.17 0.00 0.18 -0.31 0.00 0.00 175.10 174.87 1ba9 n LEU 8 N 3.05 0.00 -0.13 1.32 4.32 0.87 -3.94 117.00 122.50 1ba9 n LEU 8 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1ba9 n LEU 8 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1ba9 n LEU 8 CO 0.56 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.90 1ba9 n LYS 9 N 0.00 0.00 0.00 3.23 4.81 -1.23 -4.59 118.16 120.38 1ba9 n LYS 9 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1ba9 n LYS 9 Cb 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 34.99 1ba9 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ba9 n GLY 10 N 2.57 1.86 0.27 3.14 0.00 0.67 -3.36 105.19 110.34 1ba9 n GLY 10 Ca 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 0.92 -1.42 1.61 3.58 -1.85 -3.46 116.42 115.80 1ba9 h ASP 11 Ca 0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1ba9 h ASP 11 Cb 0.00 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1ba9 h ASP 11 CO 0.00 1.05 0.00 0.61 -2.88 0.00 0.00 179.24 178.02 1ba9 n GLY 12 N -0.27 1.34 0.06 -0.78 0.00 -1.26 -4.97 105.19 99.31 1ba9 n GLY 12 Ca 0.01 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 0.11 -1.54 1.61 -0.04 -1.26 -4.76 135.00 129.12 1ba9 n PRO 13 Ca 0.00 0.22 -0.54 0.00 -0.04 0.00 0.00 63.50 63.13 1ba9 n PRO 13 Cb 0.00 -1.67 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 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 -1.87 0.23 -4.13 0.52 0.31 -1.25 -4.77 118.33 107.38 1ba9 n VAL 14 Ca 0.05 -0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 1ba9 n VAL 14 Cb 0.30 -1.37 -0.08 0.00 -0.91 0.00 0.00 33.84 31.78 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 5.06 1.30 0.25 5.55 -2.07 -0.47 -0.24 119.66 129.04 1ba9 s GLN 15 Ca 1.06 -1.49 -0.18 0.00 -1.82 0.00 0.00 55.36 52.93 1ba9 s GLN 15 Cb -1.01 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 31.27 1ba9 s GLN 15 CO 0.58 -0.47 0.61 0.20 -1.32 0.00 0.00 175.29 174.89 1ba9 s GLY 16 N -3.10 0.11 -0.37 2.60 0.00 -1.26 0.67 107.32 105.96 1ba9 s GLY 16 Ca 0.32 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1ba9 s GLY 16 CO 0.10 -0.29 0.14 -0.42 0.00 0.00 0.00 173.10 172.63 1ba9 s ILE 17 N -3.94 1.46 0.49 0.90 1.01 -0.33 -0.09 121.20 120.71 1ba9 s ILE 17 Ca 0.14 -2.10 -0.10 0.00 0.00 0.00 0.00 60.65 58.60 1ba9 s ILE 17 Cb -0.03 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1ba9 s ILE 17 CO 0.06 -0.74 0.87 -0.63 0.00 0.00 0.00 174.94 174.50 1ba9 s ILE 18 N 0.94 4.77 -0.10 2.92 -1.09 0.41 -2.60 121.20 126.45 1ba9 s ILE 18 Ca 0.13 0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 59.09 1ba9 s ILE 18 Cb -0.20 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1ba9 s ILE 18 CO -0.12 -0.79 0.28 0.20 -1.23 0.00 0.00 174.94 173.28 1ba9 s ASN 19 N -3.67 -0.28 -0.06 3.58 0.01 0.17 -0.49 114.94 114.20 1ba9 s ASN 19 Ca 0.52 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 53.20 1ba9 s ASN 19 Cb -0.10 0.55 0.02 0.00 0.41 0.00 0.00 41.25 42.13 1ba9 s ASN 19 CO 0.41 -0.14 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.43 1ba9 s PHE 20 N -0.01 1.04 -0.11 2.20 0.40 0.58 -0.68 117.98 121.40 1ba9 s PHE 20 Ca -0.02 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1ba9 s PHE 20 Cb -0.02 -0.87 0.02 0.00 0.51 0.00 0.00 43.02 42.66 1ba9 s PHE 20 CO 0.01 -0.27 -0.15 -1.21 0.70 0.00 0.00 175.22 174.30 1ba9 s GLU 21 N 1.02 2.22 -0.40 0.44 2.02 -0.08 -0.93 118.70 122.99 1ba9 s GLU 21 Ca -0.09 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.42 1ba9 s GLU 21 Cb -0.14 -1.92 0.24 0.00 0.10 0.00 0.00 34.13 32.41 1ba9 s GLU 21 CO -0.00 -0.09 0.50 0.94 0.02 0.00 0.00 175.26 176.63 1ba9 n GLN 22 N 4.29 0.62 0.28 1.61 7.27 -1.25 -0.64 117.38 129.56 1ba9 n GLN 22 Ca -0.19 -3.16 0.19 0.00 0.07 0.00 0.00 57.00 53.91 1ba9 n GLN 22 Cb 0.51 -1.30 0.88 0.00 2.41 0.00 0.00 30.24 32.75 1ba9 n GLN 22 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1ba9 h LYS 23 N 4.28 0.00 -6.95 3.69 3.11 -1.91 -3.39 116.57 115.39 1ba9 h LYS 23 Ca 0.10 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.48 1ba9 h LYS 23 Cb 0.89 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.10 1ba9 h LYS 23 CO 0.44 0.00 0.31 -2.00 -2.81 0.00 0.00 179.45 175.38 1ba9 s GLU 24 N -3.82 4.31 0.01 1.90 -6.30 -1.26 -3.88 118.70 109.66 1ba9 s GLU 24 Ca -0.01 1.12 -0.25 0.00 -2.50 0.00 0.00 54.97 53.33 1ba9 s GLU 24 Cb 0.10 -2.42 -0.19 0.00 0.00 0.00 0.00 34.13 31.62 1ba9 s GLU 24 CO 0.44 0.10 1.37 0.77 0.02 0.00 0.00 175.26 177.96 1ba9 h SER 25 N 2.39 -0.03 -0.24 -1.70 0.02 -1.95 -3.38 113.55 108.66 1ba9 h SER 25 Ca -0.48 -0.35 -0.21 0.00 -0.84 0.00 0.00 61.79 59.90 1ba9 h SER 25 Cb 1.18 0.01 -0.27 0.00 0.14 0.00 0.00 62.40 63.46 1ba9 h SER 25 CO 0.63 0.34 -0.83 -0.46 -1.14 0.00 0.00 176.83 175.37 1ba9 n ASN 26 N -4.93 2.20 -4.87 3.07 0.23 -1.26 -4.01 115.26 105.69 1ba9 n ASN 26 Ca -0.08 -3.02 -0.27 0.00 -0.53 0.00 0.00 54.58 50.68 1ba9 n ASN 26 Cb 0.20 -0.42 -0.02 0.00 -2.08 0.00 0.00 39.78 37.46 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ba9 s GLY 27 N -3.09 2.45 -0.09 4.83 0.00 -1.26 -5.07 107.32 105.10 1ba9 s GLY 27 Ca 0.38 -1.24 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1ba9 s GLY 27 CO -0.07 -1.96 1.63 2.56 0.00 0.00 0.00 173.10 175.26 1ba9 s PRO 28 N -4.18 4.11 0.67 2.90 0.04 -1.26 -4.87 135.00 132.40 1ba9 s PRO 28 Ca 0.31 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 1ba9 s PRO 28 Cb -0.01 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.55 1ba9 s PRO 28 CO 0.19 -0.92 1.16 0.54 0.04 0.00 0.00 177.00 178.01 1ba9 s VAL 29 N 4.23 2.80 -0.30 -0.36 0.11 0.10 -4.84 120.40 122.14 1ba9 s VAL 29 Ca 0.72 0.41 -0.03 0.00 -2.93 0.00 0.00 61.98 60.15 1ba9 s VAL 29 Cb -0.31 -2.98 0.04 0.00 -1.53 0.00 0.00 36.38 31.60 1ba9 s VAL 29 CO 0.28 -0.20 0.01 -0.54 -3.33 0.00 0.00 175.10 171.33 1ba9 s LYS 30 N -3.86 2.53 0.18 1.54 3.01 0.19 -2.25 119.74 121.07 1ba9 s LYS 30 Ca 0.72 -1.21 -0.02 0.00 -1.01 0.00 0.00 55.97 54.45 1ba9 s LYS 30 Cb -0.25 -3.21 -0.05 0.00 -1.01 0.00 0.00 37.83 33.32 1ba9 s LYS 30 CO 0.41 -0.60 0.39 0.14 0.51 0.00 0.00 175.35 176.20 1ba9 s VAL 31 N 1.29 5.19 -0.01 3.17 -7.23 0.39 -0.90 120.40 122.30 1ba9 s VAL 31 Ca -0.04 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1ba9 s VAL 31 Cb -0.19 -3.70 0.10 0.00 0.56 0.00 0.00 36.38 33.15 1ba9 s VAL 31 CO -0.01 -0.11 0.89 -1.66 -0.31 0.00 0.00 175.10 173.89 1ba9 s TRP 32 N -1.81 -0.35 0.04 2.82 -2.14 0.15 -1.08 118.94 116.57 1ba9 s TRP 32 Ca 0.39 0.22 -0.07 0.00 2.66 0.00 0.00 56.10 59.30 1ba9 s TRP 32 Cb -0.11 0.54 0.03 0.00 -3.10 0.00 0.00 33.47 30.82 1ba9 s TRP 32 CO 0.28 -0.54 0.34 0.41 -2.66 0.00 0.00 176.95 174.78 1ba9 n GLY 33 N -0.22 0.96 3.26 3.67 0.00 0.24 0.44 105.19 113.54 1ba9 n GLY 33 Ca -0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.80 -0.71 0.70 1.61 1.04 -1.07 -0.50 113.70 112.97 1ba9 s SER 34 Ca 0.08 0.95 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 1ba9 s SER 34 Cb -0.01 1.79 0.05 0.00 0.10 0.00 0.00 66.02 67.96 1ba9 s SER 34 CO 0.01 -0.25 1.02 -0.63 0.98 0.00 0.00 173.24 174.37 1ba9 s ILE 35 N 2.75 2.48 -0.41 -1.02 1.01 -0.08 -1.18 121.20 124.74 1ba9 s ILE 35 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1ba9 s ILE 35 Cb -0.14 -3.08 0.18 0.00 0.01 0.00 0.00 42.46 39.43 1ba9 s ILE 35 CO -0.17 -0.09 0.59 -0.75 0.00 0.00 0.00 174.94 174.52 1ba9 s LYS 36 N -5.25 0.80 0.00 2.79 2.47 0.21 -3.97 119.74 116.79 1ba9 s LYS 36 Ca 0.59 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.62 1ba9 s LYS 36 Cb -0.11 -0.04 0.00 0.00 -1.46 0.00 0.00 37.83 36.23 1ba9 s LYS 36 CO 0.45 -1.20 0.00 0.41 0.16 0.00 0.00 175.35 175.18 1ba9 n GLY 37 N 4.35 -0.66 0.00 5.54 0.00 0.07 -1.37 105.19 113.12 1ba9 n GLY 37 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.05 0.99 4.32 0.63 -4.71 117.00 114.18 1ba9 n LEU 38 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1ba9 n LEU 38 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1ba9 n LEU 38 CO 0.00 -0.45 -0.37 0.28 -1.22 0.00 0.00 177.39 175.63 1ba9 s THR 39 N -0.36 0.30 0.12 -5.08 -1.32 -1.26 -4.26 115.64 103.77 1ba9 s THR 39 Ca 0.00 -1.33 -0.35 0.00 -1.21 0.00 0.00 61.69 58.80 1ba9 s THR 39 Cb 0.00 -0.87 -0.16 0.00 -1.51 0.00 0.00 72.50 69.96 1ba9 s THR 39 CO 0.00 -0.67 1.24 -1.84 -2.21 0.00 0.00 174.62 171.14 1ba9 n GLU 40 N 0.94 1.09 0.00 7.08 0.00 -1.21 -4.48 120.64 124.06 1ba9 n GLU 40 Ca -0.19 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1ba9 n GLU 40 Cb 0.57 -1.96 0.00 0.00 0.00 0.00 0.00 31.44 30.06 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 2.25 0.12 3.04 -1.84 0.00 -1.04 -4.94 105.19 102.78 1ba9 n GLY 41 Ca 0.17 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1ba9 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ba9 s LEU 42 N 0.00 2.25 -0.02 0.99 2.34 -1.26 -0.12 118.68 122.86 1ba9 s LEU 42 Ca 0.00 -0.53 0.01 0.00 0.06 0.00 0.00 54.13 53.67 1ba9 s LEU 42 Cb 0.00 -0.11 0.01 0.00 -0.56 0.00 0.00 46.19 45.54 1ba9 s LEU 42 CO 0.00 -0.22 -0.01 -1.00 -1.06 0.00 0.00 176.35 174.06 1ba9 s HIS 43 N -1.36 0.26 0.54 3.48 3.76 -1.23 -3.44 115.29 117.29 1ba9 s HIS 43 Ca -0.11 -0.01 -0.21 0.00 -0.15 0.00 0.00 55.06 54.58 1ba9 s HIS 43 Cb -0.10 -0.28 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 1ba9 s HIS 43 CO 0.00 -0.07 1.26 0.20 -0.85 0.00 0.00 174.74 175.28 1ba9 s GLY 44 N 0.53 2.81 -0.21 -2.22 0.00 -0.11 -0.62 107.32 107.51 1ba9 s GLY 44 Ca -0.05 1.12 -0.05 0.00 0.00 0.00 0.00 44.72 45.74 1ba9 s GLY 44 CO -0.01 1.58 0.41 -0.12 0.00 0.00 0.00 173.10 174.96 1ba9 s PHE 45 N -1.46 -0.82 0.11 1.90 5.36 0.56 -0.78 117.98 122.86 1ba9 s PHE 45 Ca 0.72 1.32 -0.10 0.00 -0.96 0.00 0.00 56.93 57.90 1ba9 s PHE 45 Cb -0.34 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 1ba9 s PHE 45 CO 0.39 -0.56 0.25 -1.01 -1.46 0.00 0.00 175.22 172.84 1ba9 s HIS 46 N 2.60 0.13 -0.45 10.12 3.76 -1.07 -3.05 115.29 127.32 1ba9 s HIS 46 Ca 0.03 -0.52 -0.24 0.00 -0.15 0.00 0.00 55.06 54.18 1ba9 s HIS 46 Cb -0.13 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.59 1ba9 s HIS 46 CO -0.14 -0.61 0.82 0.08 -0.85 0.00 0.00 174.74 174.05 1ba9 s VAL 47 N -3.87 4.61 0.43 -0.90 1.01 -0.30 -1.92 120.40 119.46 1ba9 s VAL 47 Ca 0.07 0.54 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 1ba9 s VAL 47 Cb 0.04 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1ba9 s VAL 47 CO -0.09 -0.73 0.97 -1.00 0.00 0.00 0.00 175.10 174.24 1ba9 s HIS 48 N 3.41 3.29 0.00 5.22 3.76 0.05 -2.02 115.29 128.99 1ba9 s HIS 48 Ca 0.32 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.85 1ba9 s HIS 48 Cb -0.12 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.67 1ba9 s HIS 48 CO 0.23 -0.22 0.72 -1.91 -0.85 0.00 0.00 174.74 172.71 1ba9 n GLU 49 N -0.58 0.00 -3.35 1.40 2.13 -0.67 -3.68 120.64 115.89 1ba9 n GLU 49 Ca 0.07 0.51 -0.22 0.00 0.66 0.00 0.00 57.16 58.18 1ba9 n GLU 49 Cb 0.53 -1.22 -0.00 0.00 0.27 0.00 0.00 31.44 31.02 1ba9 n GLU 49 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ba9 s GLU 50 N -1.88 3.24 -0.15 5.31 2.02 -1.26 -4.57 118.70 121.40 1ba9 s GLU 50 Ca 0.00 -0.62 0.19 0.00 0.02 0.00 0.00 54.97 54.56 1ba9 s GLU 50 Cb 0.00 -2.70 -0.26 0.00 0.10 0.00 0.00 34.13 31.27 1ba9 s GLU 50 CO 0.00 0.02 0.20 -0.85 0.02 0.00 0.00 175.26 174.66 1ba9 n GLU 51 N -1.80 0.68 -1.82 1.61 0.28 -1.26 -4.43 120.64 113.91 1ba9 n GLU 51 Ca -0.02 -0.03 -0.38 0.00 -0.16 0.00 0.00 57.16 56.57 1ba9 n GLU 51 Cb 0.57 -1.54 -0.04 0.00 1.43 0.00 0.00 31.44 31.86 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ba9 n ASP 52 N -2.66 3.37 -2.84 -1.84 2.03 -1.26 -4.76 116.55 108.59 1ba9 n ASP 52 Ca -0.25 -2.76 -0.34 0.00 0.52 0.00 0.00 54.79 51.95 1ba9 n ASP 52 Cb 1.02 -1.53 0.02 0.00 -0.72 0.00 0.00 41.12 39.91 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 9.76 6.27 0.08 1.67 5.15 -1.26 -4.78 115.26 132.14 1ba9 n ASN 53 Ca 0.48 -3.77 0.20 0.00 -0.60 0.00 0.00 54.58 50.89 1ba9 n ASN 53 Cb 0.43 -0.82 0.75 0.00 -0.53 0.00 0.00 39.78 39.61 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1ba9 h THR 54 N 2.31 0.50 -0.05 -0.44 1.35 -1.99 0.07 112.91 114.65 1ba9 h THR 54 Ca 0.43 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.31 1ba9 h THR 54 Cb 0.41 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1ba9 h THR 54 CO 1.15 0.00 0.11 0.00 -0.25 0.00 0.00 175.52 176.53 1ba9 h ALA 55 N 1.61 1.40 0.00 6.62 0.00 -1.98 -3.47 119.26 123.45 1ba9 h ALA 55 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ba9 h ALA 55 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ba9 h ALA 55 CO -0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1ba9 n GLY 56 N -1.25 -0.79 0.00 0.00 0.00 0.01 -4.97 105.19 98.19 1ba9 n GLY 56 Ca -0.01 0.33 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.01 -0.56 0.00 0.00 2.01 -1.26 -4.90 115.64 108.92 1ba9 s THR 58 Ca -0.00 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1ba9 s THR 58 Cb 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.84 1ba9 s THR 58 CO 0.01 0.06 0.00 -0.24 -0.69 0.00 0.00 174.62 173.77 1ba9 n SER 59 N 5.20 0.00 0.00 3.53 2.88 -1.26 -5.05 113.62 118.92 1ba9 n SER 59 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ba9 n SER 59 Cb 0.50 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -1.58 -0.12 -2.73 -1.46 0.00 -1.26 -4.79 120.51 108.56 1ba9 n ALA 60 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1ba9 n ALA 60 Cb 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.53 0.37 0.00 0.00 0.00 -1.26 -4.97 107.32 100.94 1ba9 s GLY 61 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1ba9 s GLY 61 CO 0.00 -0.25 0.00 -1.55 0.00 0.00 0.00 173.10 171.30 1ba9 n PRO 62 N 2.93 0.52 -1.68 2.90 -0.04 -1.26 -4.08 135.00 134.29 1ba9 n PRO 62 Ca -0.14 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.79 1ba9 n PRO 62 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.88 2.04 -2.08 0.54 8.25 -1.26 -1.67 115.22 120.16 1ba9 n HIS 63 Ca 0.00 0.40 -0.43 0.00 -0.26 0.00 0.00 57.72 57.43 1ba9 n HIS 63 Cb 0.00 -2.49 -0.03 0.00 1.12 0.00 0.00 29.99 28.59 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 2.85 2.00 -0.41 4.41 5.36 -0.86 -4.77 117.98 126.56 1ba9 s PHE 64 Ca 0.93 0.56 0.10 0.00 -0.96 0.00 0.00 56.93 57.56 1ba9 s PHE 64 Cb -0.92 -4.06 0.41 0.00 -0.34 0.00 0.00 43.02 38.12 1ba9 s PHE 64 CO 0.56 -2.94 0.99 0.27 -1.46 0.00 0.00 175.22 172.64 1ba9 n ASN 65 N 9.10 3.13 0.23 6.13 6.94 -1.26 -2.76 115.26 136.77 1ba9 n ASN 65 Ca 0.20 -3.29 0.16 0.00 -0.02 0.00 0.00 54.58 51.63 1ba9 n ASN 65 Cb 0.46 -0.52 0.80 0.00 -2.36 0.00 0.00 39.78 38.16 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 2.83 0.00 0.00 -0.53 0.13 -1.95 0.30 132.00 132.78 1ba9 h PRO 66 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ba9 h PRO 66 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1ba9 h PRO 66 CO 0.69 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 1ba9 n LEU 67 N -2.65 0.00 -2.62 1.56 4.32 -1.26 -4.95 117.00 111.41 1ba9 n LEU 67 Ca -0.01 0.36 -0.05 0.00 -0.02 0.00 0.00 56.01 56.30 1ba9 n LEU 67 Cb 0.12 -0.36 0.01 0.00 -1.62 0.00 0.00 43.42 41.56 1ba9 n LEU 67 CO 0.17 -0.11 0.11 -0.24 -1.22 0.00 0.00 177.39 176.10 1ba9 n SER 68 N -1.36 -6.69 -3.68 -1.43 2.88 0.10 -5.08 113.62 98.36 1ba9 n SER 68 Ca 0.08 0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1ba9 n SER 68 Cb 0.20 -4.47 -0.04 0.00 -0.75 0.00 0.00 64.21 59.15 1ba9 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 s ARG 69 N -2.48 1.27 0.79 -1.46 1.70 -1.26 -5.16 118.95 112.35 1ba9 s ARG 69 Ca 0.14 -0.78 -0.10 0.00 -0.47 0.00 0.00 55.73 54.52 1ba9 s ARG 69 Cb -0.04 0.51 0.09 0.00 -0.57 0.00 0.00 34.95 34.94 1ba9 s ARG 69 CO 0.61 -0.53 1.14 0.15 -1.08 0.00 0.00 175.30 175.58 1ba9 s LYS 70 N -3.84 1.86 0.43 3.89 1.02 -1.26 -4.83 119.74 117.01 1ba9 s LYS 70 Ca 0.07 -0.12 -0.24 0.00 0.02 0.00 0.00 55.97 55.69 1ba9 s LYS 70 Cb 0.00 -2.02 -0.08 0.00 -0.52 0.00 0.00 37.83 35.21 1ba9 s LYS 70 CO -0.07 -1.58 1.16 -1.58 -0.92 0.00 0.00 175.35 172.37 1ba9 s HIS 71 N -3.49 2.98 0.02 3.18 5.65 0.72 -3.15 115.29 121.21 1ba9 s HIS 71 Ca 0.63 1.55 -0.15 0.00 0.25 0.00 0.00 55.06 57.34 1ba9 s HIS 71 Cb -0.10 -3.38 0.05 0.00 -1.18 0.00 0.00 32.58 27.97 1ba9 s HIS 71 CO 0.48 -1.38 0.67 0.41 -0.65 0.00 0.00 174.74 174.26 1ba9 n GLY 72 N 0.53 0.55 3.97 1.59 0.00 -1.25 -3.35 105.19 107.22 1ba9 n GLY 72 Ca 0.06 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.16 1.42 0.57 -0.02 0.00 -1.11 -4.24 107.32 100.78 1ba9 s GLY 73 Ca 0.16 -1.36 0.25 0.00 0.00 0.00 0.00 44.72 43.77 1ba9 s GLY 73 CO 0.01 -1.33 2.20 -0.56 0.00 0.00 0.00 173.10 173.41 1ba9 h PRO 74 N 1.07 0.00 0.00 2.90 0.13 -1.83 0.85 132.00 135.12 1ba9 h PRO 74 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1ba9 h PRO 74 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ba9 h PRO 74 CO 0.57 0.00 -0.25 -0.22 -0.23 0.00 0.00 178.00 177.88 1ba9 h LYS 75 N 0.00 0.00 -6.63 0.86 3.64 -1.94 -3.46 116.57 109.04 1ba9 h LYS 75 Ca 0.02 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.96 1ba9 h LYS 75 Cb 0.09 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1ba9 h LYS 75 CO -0.00 0.25 -0.15 -0.51 -2.27 0.00 0.00 179.45 176.77 1ba9 s ASP 76 N -6.22 5.68 0.09 4.20 1.01 0.29 -5.02 116.67 116.70 1ba9 s ASP 76 Ca 0.01 0.01 -0.17 0.00 0.71 0.00 0.00 52.55 53.10 1ba9 s ASP 76 Cb 0.10 -1.16 -0.07 0.00 1.01 0.00 0.00 42.92 42.79 1ba9 s ASP 76 CO 0.65 -0.78 1.51 -0.08 0.21 0.00 0.00 175.17 176.67 1ba9 h GLU 77 N 0.44 0.52 -6.92 8.23 4.81 -1.90 -3.44 114.58 116.32 1ba9 h GLU 77 Ca -0.44 -0.18 -0.46 0.00 -0.13 0.00 0.00 59.36 58.14 1ba9 h GLU 77 Cb 1.27 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1ba9 h GLU 77 CO 0.53 0.70 0.29 -1.21 -0.73 0.00 0.00 179.01 178.59 1ba9 s GLU 78 N -4.87 4.29 0.00 1.92 2.02 -1.26 -5.03 118.70 115.77 1ba9 s GLU 78 Ca -0.13 1.09 0.00 0.00 0.02 0.00 0.00 54.97 55.94 1ba9 s GLU 78 Cb 0.08 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1ba9 s GLU 78 CO 0.77 0.12 0.00 2.89 0.02 0.00 0.00 175.26 179.05 1ba9 n ARG 79 N -0.17 0.00 -0.69 1.61 1.85 -1.19 -2.73 116.66 115.35 1ba9 n ARG 79 Ca 0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.65 1ba9 n ARG 79 Cb 0.53 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.15 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 0.00 -3.67 0.01 2.89 8.25 -1.25 -4.81 115.22 116.64 1ba9 n HIS 80 Ca 0.00 -0.77 -0.13 0.00 -0.26 0.00 0.00 57.72 56.56 1ba9 n HIS 80 Cb 0.00 -0.95 -0.09 0.00 1.12 0.00 0.00 29.99 30.07 1ba9 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ba9 h VAL 81 N -2.72 1.21 -1.82 1.59 3.04 -1.86 -3.22 116.25 112.47 1ba9 h VAL 81 Ca -0.33 -0.66 -0.71 0.00 -1.01 0.00 0.00 66.70 63.99 1ba9 h VAL 81 Cb 1.04 1.65 -0.32 0.00 -2.01 0.00 0.00 31.29 31.65 1ba9 h VAL 81 CO 0.21 0.17 0.46 0.61 -1.01 0.00 0.00 177.57 178.01 1ba9 n GLY 82 N -0.33 5.69 2.99 3.17 0.00 -1.25 -4.86 105.19 110.60 1ba9 n GLY 82 Ca -0.08 -2.58 -0.41 0.00 0.00 0.00 0.00 46.02 42.95 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 -0.53 5.96 -2.34 1.61 9.92 -1.22 -1.15 116.55 128.81 1ba9 n ASP 83 Ca 0.49 -3.36 -0.21 0.00 -0.53 0.00 0.00 54.79 51.18 1ba9 n ASP 83 Cb 0.38 -1.21 -0.10 0.00 -0.64 0.00 0.00 41.12 39.55 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 1.48 6.06 0.00 0.64 4.77 -1.17 -4.12 117.00 124.65 1ba9 n LEU 84 Ca 0.26 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.50 1ba9 n LEU 84 Cb 0.35 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ba9 n LEU 84 CO 0.65 1.73 0.00 0.61 -1.33 0.00 0.00 177.39 179.05 1ba9 n GLY 85 N 1.61 0.00 3.34 -0.72 0.00 -1.26 -4.62 105.19 103.54 1ba9 n GLY 85 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 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 2.79 0.00 1.61 6.03 -1.26 -0.33 114.94 123.78 1ba9 s ASN 86 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 52.86 50.99 1ba9 s ASN 86 Cb 0.00 -0.17 0.00 0.00 -3.03 0.00 0.00 41.25 38.05 1ba9 s ASN 86 CO 0.00 0.01 0.00 1.33 -2.03 0.00 0.00 177.10 176.41 1ba9 n VAL 87 N 0.41 0.00 -3.44 3.54 0.24 0.21 -4.84 118.33 114.46 1ba9 n VAL 87 Ca -0.14 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1ba9 n VAL 87 Cb 0.56 -1.42 -0.10 0.00 -1.47 0.00 0.00 33.84 31.41 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 1.16 -0.48 0.23 3.34 2.01 -1.26 -3.58 115.64 117.05 1ba9 s THR 88 Ca 0.00 -0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.73 1ba9 s THR 88 Cb 0.00 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.70 1ba9 s THR 88 CO 0.00 -0.13 0.76 0.00 -0.69 0.00 0.00 174.62 174.56 1ba9 s ALA 89 N 2.45 3.39 1.06 7.40 0.00 0.83 -4.14 121.76 132.75 1ba9 s ALA 89 Ca 0.09 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 1ba9 s ALA 89 Cb -0.15 -2.89 0.24 0.00 0.00 0.00 0.00 23.12 20.31 1ba9 s ALA 89 CO -0.14 0.30 1.24 0.34 0.00 0.00 0.00 175.76 177.50 1ba9 s ASP 90 N -1.55 2.20 0.55 0.00 -1.08 0.32 -2.49 116.67 114.62 1ba9 s ASP 90 Ca 0.43 0.41 0.37 0.00 -0.52 0.00 0.00 52.55 53.24 1ba9 s ASP 90 Cb -0.18 -0.53 1.99 0.00 -1.46 0.00 0.00 42.92 42.74 1ba9 s ASP 90 CO 0.22 -3.31 2.14 0.07 0.52 0.00 0.00 175.17 174.81 1ba9 h LYS 91 N -2.03 0.00 -0.01 4.34 2.10 -1.95 0.71 116.57 119.72 1ba9 h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1ba9 h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1ba9 h LYS 91 CO 0.36 0.00 -0.08 -3.47 -2.00 0.00 0.00 179.45 174.27 1ba9 n ASP 92 N -2.83 1.57 -1.63 7.07 2.03 -1.26 -4.81 116.55 116.69 1ba9 n ASP 92 Ca -0.02 -1.41 -0.11 0.00 0.52 0.00 0.00 54.79 53.77 1ba9 n ASP 92 Cb 0.08 0.05 0.02 0.00 -0.72 0.00 0.00 41.12 40.55 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 1.24 0.16 3.16 0.27 0.00 0.24 -4.62 105.19 105.64 1ba9 n GLY 93 Ca 0.17 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.91 2.75 -0.45 1.61 1.01 -1.26 -0.27 120.40 120.88 1ba9 s VAL 94 Ca 0.17 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1ba9 s VAL 94 Cb -0.08 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1ba9 s VAL 94 CO 0.22 0.06 0.49 0.00 0.00 0.00 0.00 175.10 175.87 1ba9 s ALA 95 N 1.26 3.43 -0.44 5.51 0.00 -1.26 -0.52 121.76 129.75 1ba9 s ALA 95 Ca -0.03 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.01 1ba9 s ALA 95 Cb -0.18 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1ba9 s ALA 95 CO -0.04 -1.74 0.93 -0.51 0.00 0.00 0.00 175.76 174.40 1ba9 s ASP 96 N 2.19 6.55 0.29 0.00 1.01 -1.26 -0.91 116.67 124.55 1ba9 s ASP 96 Ca 0.12 0.25 -0.19 0.00 0.71 0.00 0.00 52.55 53.44 1ba9 s ASP 96 Cb -0.19 -2.46 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 1ba9 s ASP 96 CO 0.12 -1.00 0.78 -0.69 0.21 0.00 0.00 175.17 174.59 1ba9 s VAL 97 N 3.70 4.54 -0.29 -1.27 1.01 0.35 -4.82 120.40 123.61 1ba9 s VAL 97 Ca 0.38 1.25 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 1ba9 s VAL 97 Cb -0.10 -3.76 0.19 0.00 0.00 0.00 0.00 36.38 32.71 1ba9 s VAL 97 CO 0.24 -0.00 0.84 -0.55 0.00 0.00 0.00 175.10 175.63 1ba9 s SER 98 N -1.93 -0.97 0.10 3.32 0.15 -1.26 -0.59 113.70 112.52 1ba9 s SER 98 Ca 0.50 0.14 -0.11 0.00 0.70 0.00 0.00 55.95 57.18 1ba9 s SER 98 Cb -0.14 1.63 0.01 0.00 -1.71 0.00 0.00 66.02 65.81 1ba9 s SER 98 CO 0.19 -0.18 0.27 -0.51 1.20 0.00 0.00 173.24 174.21 1ba9 s ILE 99 N 2.90 0.12 -0.03 6.45 2.07 -0.24 -4.98 121.20 127.49 1ba9 s ILE 99 Ca 0.19 -0.95 0.05 0.00 -1.41 0.00 0.00 60.65 58.53 1ba9 s ILE 99 Cb -0.06 -1.26 -0.01 0.00 0.13 0.00 0.00 42.46 41.26 1ba9 s ILE 99 CO -0.24 -0.53 -0.19 -1.83 -1.91 0.00 0.00 174.94 170.24 1ba9 s GLU 100 N -3.78 1.78 0.13 3.50 -1.05 -1.26 -0.46 118.70 117.55 1ba9 s GLU 100 Ca 0.04 -0.69 0.09 0.00 -0.15 0.00 0.00 54.97 54.26 1ba9 s GLU 100 Cb 0.04 -1.62 -0.04 0.00 -0.44 0.00 0.00 34.13 32.07 1ba9 s GLU 100 CO -0.11 0.35 -0.22 -0.51 0.95 0.00 0.00 175.26 175.72 1ba9 s ASP 101 N -0.23 2.79 0.00 0.83 1.01 -0.96 -4.95 116.67 115.17 1ba9 s ASP 101 Ca 0.02 -0.74 0.15 0.00 0.71 0.00 0.00 52.55 52.68 1ba9 s ASP 101 Cb -0.10 -0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.66 1ba9 s ASP 101 CO 0.01 0.07 0.81 -1.20 0.21 0.00 0.00 175.17 175.07 1ba9 n SER 102 N 0.85 1.53 -0.01 0.27 7.64 -1.26 -0.72 113.62 121.93 1ba9 n SER 102 Ca -0.18 -1.27 -0.01 0.00 1.01 0.00 0.00 58.87 58.43 1ba9 n SER 102 Cb 0.54 0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ba9 n VAL 103 N -0.16 0.18 -2.04 0.44 0.31 -1.26 -4.89 118.33 110.91 1ba9 n VAL 103 Ca 0.06 0.37 -0.34 0.00 -0.01 0.00 0.00 64.34 64.43 1ba9 n VAL 103 Cb 0.31 -1.50 0.02 0.00 -0.91 0.00 0.00 33.84 31.76 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 -1.22 3.37 0.00 2.52 -5.25 -1.26 -4.92 121.20 114.44 1ba9 s ILE 104 Ca -0.03 0.72 0.00 0.00 -0.99 0.00 0.00 60.65 60.35 1ba9 s ILE 104 Cb 0.00 -3.24 0.00 0.00 2.95 0.00 0.00 42.46 42.17 1ba9 s ILE 104 CO 0.04 -0.31 0.00 -1.20 -1.79 0.00 0.00 174.94 171.68 1ba9 n SER 105 N -1.86 0.00 -0.80 4.36 7.64 -1.25 -4.53 113.62 117.17 1ba9 n SER 105 Ca 0.10 -0.85 0.10 0.00 1.01 0.00 0.00 58.87 59.24 1ba9 n SER 105 Cb 0.52 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.01 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 2.39 -4.44 -3.43 4.77 -1.26 -1.13 117.00 113.89 1ba9 n LEU 106 Ca 0.00 -1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 54.65 1ba9 n LEU 106 Cb 0.00 -0.19 0.26 0.00 -2.33 0.00 0.00 43.42 41.17 1ba9 n LEU 106 CO 0.00 0.52 0.49 -0.44 -1.33 0.00 0.00 177.39 176.63 1ba9 s SER 107 N -1.44 0.41 0.00 -1.43 0.01 -1.26 -4.47 113.70 105.53 1ba9 s SER 107 Ca 0.34 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1ba9 s SER 107 Cb 0.19 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1ba9 s SER 107 CO 0.27 -4.52 0.01 0.61 0.41 0.00 0.00 173.24 170.02 1ba9 n GLY 108 N 0.93 -1.46 2.28 3.44 0.00 -1.26 0.03 105.19 109.15 1ba9 n GLY 108 Ca 0.05 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.02 7.61 0.00 1.61 2.03 -1.26 -3.10 116.55 123.42 1ba9 n ASP 109 Ca 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1ba9 n ASP 109 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ba9 n HIS 110 N 2.74 -0.76 -0.40 -0.67 8.25 -1.19 -5.06 115.22 118.13 1ba9 n HIS 110 Ca 0.65 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.99 1ba9 n HIS 110 Cb 0.42 0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.70 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 -1.91 0.10 0.32 0.41 2.88 0.10 -3.82 113.62 111.70 1ba9 n SER 111 Ca 0.00 0.07 0.19 0.00 -1.33 0.00 0.00 58.87 57.81 1ba9 n SER 111 Cb 0.00 -0.25 1.08 0.00 -0.75 0.00 0.00 64.21 64.28 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 2.14 0.24 -2.36 2.46 -2.65 -1.45 -3.42 117.51 112.47 1ba9 h ILE 112 Ca -0.02 -0.02 -0.56 0.00 1.03 0.00 0.00 64.86 65.29 1ba9 h ILE 112 Cb 0.36 1.02 0.04 0.00 -2.05 0.00 0.00 36.82 36.19 1ba9 h ILE 112 CO 0.37 0.00 1.02 -0.38 0.03 0.00 0.00 178.15 179.18 1ba9 n ILE 113 N -3.43 0.28 -0.44 0.16 2.08 -1.26 -1.08 119.36 115.66 1ba9 n ILE 113 Ca -0.03 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1ba9 n ILE 113 Cb 0.08 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 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 4.02 0.74 3.99 7.39 0.00 -0.32 -5.01 105.19 116.00 1ba9 n GLY 114 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.56 2.08 -0.09 1.61 3.00 -0.24 -4.41 118.95 120.34 1ba9 s ARG 115 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 55.73 54.73 1ba9 s ARG 115 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 34.95 32.53 1ba9 s ARG 115 CO 0.00 -1.10 -0.21 0.99 0.00 0.00 0.00 175.30 174.98 1ba9 s THR 116 N -2.94 1.84 -0.26 0.02 2.01 -1.24 -1.05 115.64 114.01 1ba9 s THR 116 Ca 0.62 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1ba9 s THR 116 Cb -0.07 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 1ba9 s THR 116 CO 0.41 0.51 0.02 -0.22 -0.69 0.00 0.00 174.62 174.65 1ba9 s LEU 117 N 0.46 3.39 0.01 4.42 0.20 -0.19 -0.77 118.68 126.20 1ba9 s LEU 117 Ca -0.17 -0.55 0.08 0.00 0.69 0.00 0.00 54.13 54.19 1ba9 s LEU 117 Cb -0.17 -1.81 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1ba9 s LEU 117 CO 0.07 -0.10 -0.26 -0.69 -0.29 0.00 0.00 176.35 175.08 1ba9 s VAL 118 N 1.49 2.05 -0.04 1.68 1.01 -0.81 -2.97 120.40 122.82 1ba9 s VAL 118 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1ba9 s VAL 118 Cb -0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1ba9 s VAL 118 CO -0.00 0.46 -0.02 0.54 0.00 0.00 0.00 175.10 176.08 1ba9 s VAL 119 N -0.70 4.08 0.11 2.92 0.11 -0.22 -2.61 120.40 124.08 1ba9 s VAL 119 Ca 0.11 -0.49 0.05 0.00 -2.93 0.00 0.00 61.98 58.72 1ba9 s VAL 119 Cb -0.10 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 1ba9 s VAL 119 CO 0.01 0.49 0.01 -1.00 -3.33 0.00 0.00 175.10 171.28 1ba9 s HIS 120 N -0.97 2.98 0.06 1.54 3.76 0.04 -1.65 115.29 121.06 1ba9 s HIS 120 Ca 0.16 -0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.73 1ba9 s HIS 120 Cb -0.11 -1.51 -0.18 0.00 1.11 0.00 0.00 32.58 31.89 1ba9 s HIS 120 CO 0.06 0.49 1.54 1.49 -0.85 0.00 0.00 174.74 177.47 1ba9 h GLU 121 N 3.22 -0.70 -7.44 1.40 4.81 -0.72 -3.28 114.58 111.87 1ba9 h GLU 121 Ca -0.48 0.05 -0.47 0.00 -0.13 0.00 0.00 59.36 58.34 1ba9 h GLU 121 Cb 1.17 0.16 0.09 0.00 0.63 0.00 0.00 28.75 30.80 1ba9 h GLU 121 CO 0.60 -0.43 0.32 0.15 -0.73 0.00 0.00 179.01 178.91 1ba9 s LYS 122 N -5.74 2.19 0.59 1.92 -0.14 0.63 -4.70 119.74 114.49 1ba9 s LYS 122 Ca -0.16 -0.03 -0.19 0.00 -1.36 0.00 0.00 55.97 54.22 1ba9 s LYS 122 Cb 0.03 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 34.08 1ba9 s LYS 122 CO 0.60 -1.35 1.26 0.00 -0.76 0.00 0.00 175.35 175.10 1ba9 s ALA 123 N -3.38 2.58 0.29 5.17 0.00 -1.22 -0.93 121.76 124.27 1ba9 s ALA 123 Ca 0.60 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 1ba9 s ALA 123 Cb -0.11 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1ba9 s ALA 123 CO 0.47 -1.29 1.26 0.16 0.00 0.00 0.00 175.76 176.36 1ba9 s ASP 124 N -1.40 6.92 0.00 0.00 1.47 -1.26 -4.23 116.67 118.17 1ba9 s ASP 124 Ca 0.77 2.53 0.20 0.00 1.18 0.00 0.00 52.55 57.23 1ba9 s ASP 124 Cb -0.34 -2.64 1.17 0.00 -0.34 0.00 0.00 42.92 40.77 1ba9 s ASP 124 CO 0.38 -0.44 1.64 -0.67 0.68 0.00 0.00 175.17 176.76 1ba9 n ASP 125 N 1.24 0.00 -3.87 2.11 2.03 0.60 -4.89 116.55 113.78 1ba9 n ASP 125 Ca 0.01 -1.02 -0.31 0.00 0.52 0.00 0.00 54.79 53.99 1ba9 n ASP 125 Cb 0.43 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.88 -1.65 -3.28 -2.67 4.77 -1.26 -1.15 117.00 110.88 1ba9 n LEU 126 Ca 0.15 -0.74 -0.23 0.00 -0.03 0.00 0.00 56.01 55.15 1ba9 n LEU 126 Cb 0.07 -2.10 0.01 0.00 -2.33 0.00 0.00 43.42 39.08 1ba9 n LEU 126 CO 0.11 0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 177.02 1ba9 n GLY 127 N -1.31 -0.50 0.02 -0.72 0.00 -1.21 -4.18 105.19 97.28 1ba9 n GLY 127 Ca 0.05 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.94 0.10 0.00 1.61 4.76 -0.30 -4.30 118.16 116.09 1ba9 n LYS 128 Ca -0.05 0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.52 1ba9 n LYS 128 Cb 0.57 -1.54 0.58 0.00 -1.84 0.00 0.00 35.03 32.79 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ba9 n GLY 129 N 1.45 -1.03 3.49 0.72 0.00 -1.26 -4.90 105.19 103.66 1ba9 n GLY 129 Ca 0.04 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.65 -0.45 3.47 -0.02 0.00 -1.26 -4.99 105.19 102.58 1ba9 n GLY 130 Ca 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.70 -0.72 0.00 1.61 2.47 -1.26 -5.04 114.94 108.31 1ba9 s ASN 131 Ca 0.36 1.21 0.00 0.00 0.42 0.00 0.00 52.86 54.85 1ba9 s ASN 131 Cb -0.16 1.11 0.00 0.00 -1.45 0.00 0.00 41.25 40.75 1ba9 s ASN 131 CO 0.71 -0.21 0.30 -0.62 -3.72 0.00 0.00 177.10 173.56 1ba9 n GLU 132 N 3.98 0.00 -0.24 0.43 1.02 -1.26 0.05 120.64 124.62 1ba9 n GLU 132 Ca -0.20 0.30 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1ba9 n GLU 132 Cb 0.57 -0.48 0.06 0.00 -0.02 0.00 0.00 31.44 31.57 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ba9 h GLN 133 N 0.00 -0.05 0.02 3.49 -0.00 -1.98 0.87 115.11 117.45 1ba9 h GLN 133 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1ba9 h GLN 133 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.45 1ba9 h GLN 133 CO 0.00 -0.04 -0.27 1.03 0.00 0.00 0.00 178.83 179.55 1ba9 h SER 134 N -0.06 -0.80 -0.00 -0.69 0.87 -1.49 0.60 113.55 111.98 1ba9 h SER 134 Ca 0.31 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1ba9 h SER 134 Cb 0.54 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1ba9 h SER 134 CO -0.74 -0.34 0.00 0.35 -0.53 0.00 0.00 176.83 175.57 1ba9 n THR 135 N -5.38 0.00 0.00 2.23 -2.24 0.11 -0.09 114.28 108.91 1ba9 n THR 135 Ca -0.05 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ba9 n THR 135 Cb 0.30 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ba9 n LYS 136 N -0.86 0.00 -0.05 -0.78 4.81 0.27 -0.20 118.16 121.35 1ba9 n LYS 136 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.57 1ba9 n LYS 136 Cb 0.08 -0.66 -0.10 0.00 0.02 0.00 0.00 35.03 34.38 1ba9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ba9 n THR 137 N -2.80 0.74 -0.17 3.15 -2.24 0.20 -4.49 114.28 108.67 1ba9 n THR 137 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1ba9 n THR 137 Cb 0.48 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 2.17 0.90 2.38 3.38 0.00 0.88 -4.20 105.19 110.71 1ba9 n GLY 138 Ca -0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.16 -3.83 0.00 1.61 2.85 -1.15 -0.29 115.26 114.62 1ba9 n ASN 139 Ca 0.00 0.21 0.12 0.00 -0.11 0.00 0.00 54.58 54.80 1ba9 n ASN 139 Cb 0.00 -3.29 0.62 0.00 1.24 0.00 0.00 39.78 38.36 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ba9 n ALA 140 N -1.91 2.25 0.00 5.20 0.00 -1.26 -4.84 120.51 119.95 1ba9 n ALA 140 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ba9 n ALA 140 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.76 -1.96 3.67 0.00 0.00 -1.26 -0.27 105.19 106.13 1ba9 n GLY 141 Ca 0.12 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1ba9 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ba9 n SER 142 N 0.72 1.56 -4.56 1.61 7.64 -1.26 -4.55 113.62 114.78 1ba9 n SER 142 Ca 0.00 0.88 -0.43 0.00 1.01 0.00 0.00 58.87 60.33 1ba9 n SER 142 Cb 0.00 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 61.69 1ba9 n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 143 N -2.81 3.51 0.30 1.43 3.00 -1.26 -0.71 118.95 122.41 1ba9 s ARG 143 Ca 0.74 0.12 0.08 0.00 0.00 0.00 0.00 55.73 56.68 1ba9 s ARG 143 Cb -0.43 -3.93 0.48 0.00 0.00 0.00 0.00 34.95 31.07 1ba9 s ARG 143 CO 0.48 -1.22 1.70 -0.07 0.00 0.00 0.00 175.30 176.19 1ba9 h LEU 144 N 10.53 0.16 -7.45 2.53 -0.00 -1.59 -3.45 115.31 116.04 1ba9 h LEU 144 Ca -0.24 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.88 57.45 1ba9 h LEU 144 Cb 1.08 -0.05 -0.21 0.00 -0.00 0.00 0.00 40.66 41.48 1ba9 h LEU 144 CO 1.02 0.60 -0.25 0.00 -0.00 0.00 0.00 178.44 179.81 1ba9 s ALA 145 N -4.03 -0.88 0.05 1.53 0.00 -1.21 -4.09 121.76 113.13 1ba9 s ALA 145 Ca -0.04 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1ba9 s ALA 145 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1ba9 s ALA 145 CO 0.76 -0.25 0.06 0.00 0.00 0.00 0.00 175.76 176.34 1ba9 n GLY 147 N 0.42 1.05 3.96 0.00 0.00 -1.16 -3.50 105.19 105.96 1ba9 n GLY 147 Ca -0.17 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 1ba9 n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ba9 s VAL 148 N -2.00 4.61 -0.15 1.61 -7.23 -1.25 -1.02 120.40 114.96 1ba9 s VAL 148 Ca 0.00 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1ba9 s VAL 148 Cb 0.00 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1ba9 s VAL 148 CO 0.00 -0.25 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.90 1ba9 s ILE 149 N -2.09 4.23 0.16 -0.62 1.01 -0.21 -3.97 121.20 119.70 1ba9 s ILE 149 Ca 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1ba9 s ILE 149 Cb -0.09 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1ba9 s ILE 149 CO 0.29 0.51 0.10 -0.83 0.00 0.00 0.00 174.94 175.01 1ba9 s GLY 150 N 0.10 1.14 0.26 6.18 0.00 0.04 -1.17 107.32 113.86 1ba9 s GLY 150 Ca 0.01 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.91 1ba9 s GLY 150 CO 0.02 -1.35 1.34 -0.42 0.00 0.00 0.00 173.10 172.69 1ba9 s ILE 151 N -4.09 2.90 -1.55 0.90 1.09 -1.26 -0.35 121.20 118.84 1ba9 s ILE 151 Ca 0.29 0.80 -0.11 0.00 -1.10 0.00 0.00 60.65 60.54 1ba9 s ILE 151 Cb 0.07 -3.51 -0.03 0.00 -1.06 0.00 0.00 42.46 37.93 1ba9 s ILE 151 CO 0.06 0.15 2.71 0.00 -0.10 0.00 0.00 174.94 177.76 1ba9 n ALA 152 N 1.90 6.98 -1.72 9.38 0.00 0.60 -4.62 120.51 133.02 1ba9 n ALA 152 Ca 0.04 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.80 1ba9 n ALA 152 Cb 0.42 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.51 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44