#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aj2 s LYS 2 N 0.00 0.55 0.05 0.03 1.02 -1.26 -1.33 119.74 118.80 1aj2 s LYS 2 Ca 0.00 0.51 0.03 0.00 0.02 0.00 0.00 55.97 56.52 1aj2 s LYS 2 Cb 0.00 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1aj2 s LYS 2 CO 0.00 -0.08 0.05 -0.51 -0.92 0.00 0.00 175.35 173.88 1aj2 s LEU 3 N 0.00 3.70 -0.08 3.17 1.43 -0.15 -4.95 118.68 121.80 1aj2 s LEU 3 Ca -0.02 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1aj2 s LEU 3 Cb -0.03 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1aj2 s LEU 3 CO 0.01 0.21 -0.13 -0.36 0.23 0.00 0.00 176.35 176.31 1aj2 s PHE 4 N -1.29 1.58 -0.14 0.29 0.08 -1.26 -0.81 117.98 116.43 1aj2 s PHE 4 Ca 0.26 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.45 1aj2 s PHE 4 Cb -0.12 -1.16 0.06 0.00 -0.57 0.00 0.00 43.02 41.23 1aj2 s PHE 4 CO 0.18 -0.33 0.58 0.00 -0.10 0.00 0.00 175.22 175.55 1aj2 s ALA 5 N 0.78 -1.46 -1.41 5.36 0.00 0.52 -4.75 121.76 120.80 1aj2 s ALA 5 Ca -0.12 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1aj2 s ALA 5 Cb -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1aj2 s ALA 5 CO 0.02 -0.31 0.00 1.04 0.00 0.00 0.00 175.76 176.52 1aj2 n GLN 6 N 1.94 -1.68 -0.26 0.00 1.13 -1.26 -0.23 117.38 117.02 1aj2 n GLN 6 Ca -0.17 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 1aj2 n GLN 6 Cb 0.56 -5.22 0.00 0.00 0.11 0.00 0.00 30.24 25.69 1aj2 n GLN 6 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aj2 n GLY 7 N -0.55 0.78 3.25 1.08 0.00 -1.26 -5.06 105.19 103.43 1aj2 n GLY 7 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1aj2 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aj2 s THR 8 N -2.20 0.67 0.29 2.61 -4.23 0.68 -5.17 115.64 108.30 1aj2 s THR 8 Ca 0.00 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1aj2 s THR 8 Cb 0.00 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 1aj2 s THR 8 CO 0.00 -0.41 -0.16 -0.94 -0.54 0.00 0.00 174.62 172.57 1aj2 s SER 9 N -3.19 3.73 -0.12 3.99 1.04 -1.26 -0.35 113.70 117.54 1aj2 s SER 9 Ca 0.26 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1aj2 s SER 9 Cb 0.06 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.81 1aj2 s SER 9 CO 0.05 -0.01 -0.23 -0.22 0.98 0.00 0.00 173.24 173.82 1aj2 s LEU 10 N -3.55 2.08 -0.32 2.42 0.20 0.01 -4.97 118.68 114.55 1aj2 s LEU 10 Ca 0.31 -0.57 -0.11 0.00 0.69 0.00 0.00 54.13 54.45 1aj2 s LEU 10 Cb -0.04 -1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 44.30 1aj2 s LEU 10 CO 0.16 0.12 0.19 -0.62 -0.29 0.00 0.00 176.35 175.90 1aj2 s ASP 11 N 0.57 5.77 -0.29 3.68 2.15 -1.26 -0.98 116.67 126.31 1aj2 s ASP 11 Ca -0.13 -0.44 0.05 0.00 0.43 0.00 0.00 52.55 52.45 1aj2 s ASP 11 Cb -0.17 -2.06 0.52 0.00 -0.30 0.00 0.00 42.92 40.91 1aj2 s ASP 11 CO 0.04 -0.20 1.62 0.18 -0.17 0.00 0.00 175.17 176.64 1aj2 n LEU 12 N 5.03 5.46 0.24 -1.34 4.77 -0.45 -4.31 117.00 126.41 1aj2 n LEU 12 Ca -0.13 -2.87 0.14 0.00 -0.03 0.00 0.00 56.01 53.12 1aj2 n LEU 12 Cb 0.50 -0.72 0.41 0.00 -2.33 0.00 0.00 43.42 41.27 1aj2 n LEU 12 CO 0.35 0.81 0.87 0.28 -1.33 0.00 0.00 177.39 178.37 1aj2 h SER 13 N 1.30 0.00 -4.23 -1.43 0.02 -1.95 -3.42 113.55 103.84 1aj2 h SER 13 Ca 0.35 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.89 1aj2 h SER 13 Cb 2.19 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 64.54 1aj2 h SER 13 CO 0.71 0.04 -0.77 -1.38 -1.14 0.00 0.00 176.83 174.29 1aj2 s HIS 14 N -3.43 1.34 0.19 3.45 -3.43 -1.26 -5.05 115.29 107.10 1aj2 s HIS 14 Ca 0.04 -0.52 -0.31 0.00 -0.80 0.00 0.00 55.06 53.47 1aj2 s HIS 14 Cb 0.07 -0.72 -0.10 0.00 -1.43 0.00 0.00 32.58 30.40 1aj2 s HIS 14 CO 0.62 0.11 1.53 -1.25 -2.00 0.00 0.00 174.74 173.75 1aj2 s PRO 15 N -2.31 4.23 -0.11 -0.38 0.04 -1.26 -4.98 135.00 130.22 1aj2 s PRO 15 Ca 0.05 2.35 -0.08 0.00 0.04 0.00 0.00 61.00 63.36 1aj2 s PRO 15 Cb -0.07 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1aj2 s PRO 15 CO 0.03 -0.56 0.17 -1.01 0.04 0.00 0.00 177.00 175.67 1aj2 s HIS 16 N 0.80 3.61 -0.26 0.56 3.76 -0.41 -5.00 115.29 118.35 1aj2 s HIS 16 Ca 0.67 0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 56.01 1aj2 s HIS 16 Cb -0.43 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 1aj2 s HIS 16 CO 0.35 0.73 0.35 0.08 -0.85 0.00 0.00 174.74 175.40 1aj2 s VAL 17 N -1.04 5.19 -0.34 -0.90 1.01 -1.26 -1.62 120.40 121.45 1aj2 s VAL 17 Ca 0.16 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1aj2 s VAL 17 Cb -0.13 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1aj2 s VAL 17 CO 0.05 0.18 0.28 -0.32 0.00 0.00 0.00 175.10 175.29 1aj2 s MET 18 N 1.96 3.54 0.42 2.72 0.00 -0.65 -1.39 119.30 125.91 1aj2 s MET 18 Ca 0.14 -0.55 -0.17 0.00 0.00 0.00 0.00 55.69 55.11 1aj2 s MET 18 Cb -0.16 -3.80 -0.09 0.00 0.00 0.00 0.00 34.83 30.78 1aj2 s MET 18 CO 0.10 -0.45 0.89 0.20 0.00 0.00 0.00 175.02 175.75 1aj2 s GLY 19 N 1.73 2.24 -0.15 2.11 0.00 0.33 -0.93 107.32 112.64 1aj2 s GLY 19 Ca 0.08 0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 1aj2 s GLY 19 CO 0.11 0.44 0.15 -0.42 0.00 0.00 0.00 173.10 173.38 1aj2 s ILE 20 N -2.26 5.44 -0.31 0.90 1.01 -0.89 -0.45 121.20 124.65 1aj2 s ILE 20 Ca 0.58 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.44 1aj2 s ILE 20 Cb -0.10 -3.45 0.10 0.00 0.01 0.00 0.00 42.46 39.03 1aj2 s ILE 20 CO 0.21 0.53 0.12 -0.22 0.00 0.00 0.00 174.94 175.58 1aj2 s LEU 21 N -0.36 1.49 -0.19 2.97 0.20 -0.50 -4.92 118.68 117.37 1aj2 s LEU 21 Ca 0.12 -1.54 -0.10 0.00 0.69 0.00 0.00 54.13 53.30 1aj2 s LEU 21 Cb -0.12 -0.64 -0.05 0.00 -0.43 0.00 0.00 46.19 44.96 1aj2 s LEU 21 CO 0.02 -0.42 0.15 0.20 -0.29 0.00 0.00 176.35 176.01 1aj2 s ASN 22 N 1.77 6.25 -0.53 3.68 0.01 -1.26 -2.04 114.94 122.81 1aj2 s ASN 22 Ca 0.10 0.28 0.07 0.00 -0.71 0.00 0.00 52.86 52.59 1aj2 s ASN 22 Cb -0.17 -2.10 0.34 0.00 0.41 0.00 0.00 41.25 39.74 1aj2 s ASN 22 CO -0.29 0.19 0.91 1.33 -1.51 0.00 0.00 177.10 177.73 1aj2 n VAL 23 N 3.41 2.40 -1.90 1.60 0.24 0.73 -4.92 118.33 119.89 1aj2 n VAL 23 Ca -0.16 -5.35 -0.31 0.00 -2.04 0.00 0.00 64.34 56.48 1aj2 n VAL 23 Cb 0.52 -1.15 0.02 0.00 -1.47 0.00 0.00 33.84 31.76 1aj2 n VAL 23 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1aj2 s THR 24 N -4.08 4.27 0.35 3.34 -4.23 -1.26 -4.55 115.64 109.48 1aj2 s THR 24 Ca 0.47 0.71 0.16 0.00 -1.18 0.00 0.00 61.69 61.85 1aj2 s THR 24 Cb 0.30 -3.73 0.34 0.00 1.34 0.00 0.00 72.50 70.76 1aj2 s THR 24 CO -0.13 -0.95 1.62 -0.65 -0.54 0.00 0.00 174.62 173.97 1aj2 h PRO 25 N -0.42 0.14 -0.01 3.99 0.11 -1.82 0.58 132.00 134.56 1aj2 h PRO 25 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1aj2 h PRO 25 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aj2 h PRO 25 CO 0.63 0.09 -0.13 -0.25 -0.21 0.00 0.00 178.00 178.12 1aj2 n ASP 26 N -5.19 0.87 0.00 -2.05 8.00 -1.26 -4.09 116.55 112.83 1aj2 n ASP 26 Ca 0.34 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1aj2 n ASP 26 Cb 1.10 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 1aj2 n ASP 26 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1aj2 n SER 27 N -0.60 4.40 -3.87 -2.24 3.41 -0.04 -4.91 113.62 109.77 1aj2 n SER 27 Ca 0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.48 1aj2 n SER 27 Cb 0.31 0.87 -0.12 0.00 -0.26 0.00 0.00 64.21 65.01 1aj2 n SER 27 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1aj2 n PHE 28 N -1.33 3.14 -1.38 7.33 7.35 0.18 -4.89 117.46 127.86 1aj2 n PHE 28 Ca 0.00 -4.28 -0.38 0.00 -0.76 0.00 0.00 57.45 52.04 1aj2 n PHE 28 Cb 0.01 -0.60 0.05 0.00 0.35 0.00 0.00 39.48 39.29 1aj2 n PHE 28 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1aj2 n SER 29 N 1.94 -1.39 -1.51 -2.13 7.64 -1.26 -4.25 113.62 112.66 1aj2 n SER 29 Ca 0.21 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1aj2 n SER 29 Cb 0.36 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1aj2 n SER 29 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1aj2 n ASP 30 N 0.47 -0.10 0.00 6.43 8.00 -1.26 -0.36 116.55 129.72 1aj2 n ASP 30 Ca 0.11 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.61 1aj2 n ASP 30 Cb 0.48 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1aj2 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aj2 n GLY 31 N 1.47 0.20 2.39 0.44 0.00 -1.26 -3.45 105.19 104.98 1aj2 n GLY 31 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 1aj2 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aj2 n GLY 32 N 0.00 2.15 2.27 -0.02 0.00 -1.26 -5.04 105.19 103.29 1aj2 n GLY 32 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 1aj2 n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aj2 n THR 33 N 2.81 -8.78 -0.87 2.61 -2.24 -1.22 -5.09 114.28 101.49 1aj2 n THR 33 Ca 0.30 1.36 0.00 0.00 -2.27 0.00 0.00 64.05 63.43 1aj2 n THR 33 Cb 0.48 -5.82 0.00 0.00 -2.10 0.00 0.00 70.33 62.89 1aj2 n THR 33 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1aj2 n HIS 34 N 0.61 -2.09 0.17 4.78 -0.00 0.51 -4.87 115.22 114.33 1aj2 n HIS 34 Ca -0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.67 1aj2 n HIS 34 Cb 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.18 1aj2 n HIS 34 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1aj2 n ASN 35 N -1.63 0.00 0.23 0.41 3.02 -1.26 -1.15 115.26 114.87 1aj2 n ASN 35 Ca 0.00 0.03 0.17 0.00 -0.03 0.00 0.00 54.58 54.76 1aj2 n ASN 35 Cb 0.00 -0.11 0.78 0.00 -0.61 0.00 0.00 39.78 39.84 1aj2 n ASN 35 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1aj2 h SER 36 N 0.00 0.00 -0.99 6.41 0.02 -1.89 -1.33 113.55 115.77 1aj2 h SER 36 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1aj2 h SER 36 Cb 0.01 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 1aj2 h SER 36 CO 0.00 0.00 0.63 0.25 -1.14 0.00 0.00 176.83 176.57 1aj2 h LEU 37 N 0.00 0.91 -0.47 5.07 6.46 -1.49 -0.72 115.31 125.07 1aj2 h LEU 37 Ca 0.09 0.04 -0.16 0.00 -0.12 0.00 0.00 57.88 57.73 1aj2 h LEU 37 Cb 0.85 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1aj2 h LEU 37 CO -0.00 0.50 -0.45 -0.29 -0.62 0.00 0.00 178.44 177.59 1aj2 h ILE 38 N 0.99 1.29 -0.25 4.05 -0.00 -1.51 -2.59 117.51 119.49 1aj2 h ILE 38 Ca 0.48 -1.63 -0.00 0.00 -0.00 0.00 0.00 64.86 63.70 1aj2 h ILE 38 Cb 0.45 1.53 -0.01 0.00 -0.00 0.00 0.00 36.82 38.79 1aj2 h ILE 38 CO -0.24 0.53 0.14 0.44 -0.00 0.00 0.00 178.15 179.02 1aj2 h ASP 39 N 0.61 0.31 -0.33 2.19 5.19 -1.40 0.23 116.42 123.22 1aj2 h ASP 39 Ca 0.04 -0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1aj2 h ASP 39 Cb 1.01 -0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.36 1aj2 h ASP 39 CO 0.10 0.30 -0.20 0.00 -3.12 0.00 0.00 179.24 176.31 1aj2 h ALA 40 N 1.02 0.02 0.00 3.45 0.00 -1.13 0.41 119.26 123.03 1aj2 h ALA 40 Ca 0.09 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1aj2 h ALA 40 Cb 0.06 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1aj2 h ALA 40 CO -0.01 -0.59 -0.31 0.28 0.00 0.00 0.00 179.25 178.61 1aj2 h VAL 41 N -0.16 1.06 0.15 0.00 2.07 -1.03 -0.75 116.25 117.59 1aj2 h VAL 41 Ca 0.17 -1.11 -0.30 0.00 0.82 0.00 0.00 66.70 66.28 1aj2 h VAL 41 Cb 0.42 1.63 0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1aj2 h VAL 41 CO -0.43 0.30 -1.29 0.50 0.02 0.00 0.00 177.57 176.67 1aj2 h LYS 42 N 0.00 0.54 -0.07 1.57 3.64 0.12 -3.05 116.57 119.33 1aj2 h LYS 42 Ca -0.00 -0.78 -0.00 0.00 -1.27 0.00 0.00 60.65 58.59 1aj2 h LYS 42 Cb 0.60 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1aj2 h LYS 42 CO 0.04 1.36 0.04 1.25 -2.27 0.00 0.00 179.45 179.87 1aj2 h HIS 43 N 0.21 0.09 -0.82 1.91 2.76 0.14 -1.66 115.15 117.79 1aj2 h HIS 43 Ca -0.19 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.11 1aj2 h HIS 43 Cb 1.97 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 30.81 1aj2 h HIS 43 CO 0.11 0.11 0.41 0.00 -1.30 0.00 0.00 177.93 177.26 1aj2 h ALA 44 N 0.97 1.20 -0.41 5.26 0.00 -1.21 -2.46 119.26 122.62 1aj2 h ALA 44 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1aj2 h ALA 44 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1aj2 h ALA 44 CO -0.00 -0.08 0.17 -0.97 0.00 0.00 0.00 179.25 178.36 1aj2 h ASN 45 N 0.62 0.57 -0.54 0.00 -0.73 -1.30 0.84 115.58 115.04 1aj2 h ASN 45 Ca 0.44 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.44 1aj2 h ASN 45 Cb 0.59 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 1aj2 h ASN 45 CO -0.34 0.58 0.33 -0.07 -0.37 0.00 0.00 177.43 177.56 1aj2 h LEU 46 N 0.53 0.65 -0.10 0.34 -0.00 -0.94 -0.12 115.31 115.66 1aj2 h LEU 46 Ca 0.14 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1aj2 h LEU 46 Cb 0.19 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1aj2 h LEU 46 CO -0.01 0.51 0.03 0.24 -0.00 0.00 0.00 178.44 179.21 1aj2 h MET 47 N 0.73 0.16 -0.57 1.13 2.86 -0.98 0.59 114.93 118.85 1aj2 h MET 47 Ca 0.19 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 1aj2 h MET 47 Cb -0.02 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.53 1aj2 h MET 47 CO -0.04 0.30 0.15 0.82 1.06 0.00 0.00 176.91 179.20 1aj2 h ILE 48 N -0.02 0.70 0.00 -1.22 2.04 -0.75 0.49 117.51 118.75 1aj2 h ILE 48 Ca 0.03 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1aj2 h ILE 48 Cb 0.21 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1aj2 h ILE 48 CO -0.00 0.05 0.00 0.78 0.00 0.00 0.00 178.15 178.98 1aj2 h ASN 49 N 0.29 0.00 1.37 1.72 2.35 -0.25 -0.53 115.58 120.54 1aj2 h ASN 49 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1aj2 h ASN 49 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1aj2 h ASN 49 CO -0.35 0.00 -0.19 0.00 -1.65 0.00 0.00 177.43 175.24 1aj2 h ALA 50 N 2.23 0.88 0.00 -0.83 0.00 0.49 -3.47 119.26 118.56 1aj2 h ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aj2 h ALA 50 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1aj2 h ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1aj2 n GLY 51 N 1.29 1.43 3.77 0.00 0.00 -0.06 -4.48 105.19 107.13 1aj2 n GLY 51 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1aj2 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj2 s ALA 52 N -2.00 3.54 -0.13 4.61 0.00 -0.92 -4.75 121.76 122.12 1aj2 s ALA 52 Ca 0.00 1.43 0.11 0.00 0.00 0.00 0.00 51.96 53.50 1aj2 s ALA 52 Cb 0.00 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 1aj2 s ALA 52 CO 0.00 -0.86 0.29 0.25 0.00 0.00 0.00 175.76 175.43 1aj2 n THR 53 N 0.62 0.00 -4.73 0.00 -2.24 -0.49 -4.60 114.28 102.84 1aj2 n THR 53 Ca 0.01 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 1aj2 n THR 53 Cb 0.40 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.91 1aj2 n THR 53 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1aj2 s ILE 54 N -2.57 1.24 -0.12 2.28 1.01 -1.20 -1.97 121.20 119.86 1aj2 s ILE 54 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1aj2 s ILE 54 Cb 0.07 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1aj2 s ILE 54 CO 0.45 0.35 -0.08 -0.63 0.00 0.00 0.00 174.94 175.02 1aj2 s ILE 55 N -0.30 3.50 -0.44 2.92 -1.09 -0.13 -0.51 121.20 125.14 1aj2 s ILE 55 Ca 0.05 -0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 57.83 1aj2 s ILE 55 Cb -0.07 -2.48 0.07 0.00 -1.58 0.00 0.00 42.46 38.40 1aj2 s ILE 55 CO -0.00 0.53 0.32 -0.62 -1.23 0.00 0.00 174.94 173.94 1aj2 s ASP 56 N 0.04 5.88 -0.25 3.58 2.15 0.41 -1.12 116.67 127.37 1aj2 s ASP 56 Ca -0.02 -1.38 -0.17 0.00 0.43 0.00 0.00 52.55 51.41 1aj2 s ASP 56 Cb -0.14 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1aj2 s ASP 56 CO 0.03 -0.57 0.45 -0.69 -0.17 0.00 0.00 175.17 174.22 1aj2 s VAL 57 N 1.54 5.13 0.00 1.11 1.01 -0.41 -1.41 120.40 127.36 1aj2 s VAL 57 Ca 0.03 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1aj2 s VAL 57 Cb -0.23 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1aj2 s VAL 57 CO 0.05 0.15 0.06 -0.83 0.00 0.00 0.00 175.10 174.52 1aj2 s GLY 58 N 1.43 0.10 0.00 4.51 0.00 -0.87 -1.23 107.32 111.27 1aj2 s GLY 58 Ca 0.19 -0.23 0.20 0.00 0.00 0.00 0.00 44.72 44.89 1aj2 s GLY 58 CO 0.09 -0.32 1.26 0.61 0.00 0.00 0.00 173.10 174.74 1aj2 n GLY 59 N 1.89 1.27 3.45 0.20 0.00 -1.26 -0.19 105.19 110.54 1aj2 n GLY 59 Ca -0.21 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1aj2 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aj2 s GLU 60 N -1.49 1.62 0.12 1.61 2.02 -1.26 -4.24 118.70 117.08 1aj2 s GLU 60 Ca 0.30 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 53.85 1aj2 s GLU 60 Cb 0.19 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 1aj2 s GLU 60 CO 0.27 0.41 0.24 0.45 0.02 0.00 0.00 175.26 176.65 1aj2 s SER 61 N -2.65 6.24 0.00 -0.19 0.15 -1.26 -4.93 113.70 111.06 1aj2 s SER 61 Ca 0.21 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1aj2 s SER 61 Cb -0.08 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1aj2 s SER 61 CO 0.11 0.09 0.79 0.35 1.20 0.00 0.00 173.24 175.78 1aj2 n THR 62 N -0.27 0.63 -0.93 6.45 -2.24 -1.26 -4.85 114.28 111.81 1aj2 n THR 62 Ca -0.07 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.71 1aj2 n THR 62 Cb 0.53 0.73 0.15 0.00 -2.10 0.00 0.00 70.33 69.64 1aj2 n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aj2 s ARG 63 N -0.63 1.09 0.11 -0.78 0.52 -1.26 -3.91 118.95 114.09 1aj2 s ARG 63 Ca 0.00 1.18 -0.35 0.00 -0.52 0.00 0.00 55.73 56.04 1aj2 s ARG 63 Cb 0.00 -1.76 -0.15 0.00 0.52 0.00 0.00 34.95 33.56 1aj2 s ARG 63 CO 0.00 -2.46 1.48 -2.30 0.02 0.00 0.00 175.30 172.04 1aj2 n PRO 64 N -4.08 1.65 -2.84 3.54 -0.02 -1.25 -2.48 135.00 129.51 1aj2 n PRO 64 Ca 0.09 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1aj2 n PRO 64 Cb 0.53 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1aj2 n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aj2 n GLY 65 N 3.04 0.17 3.83 -1.23 0.00 0.17 -4.90 105.19 106.27 1aj2 n GLY 65 Ca 0.18 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1aj2 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj2 s ALA 66 N -3.01 3.51 0.51 4.61 0.00 -1.04 -5.03 121.76 121.32 1aj2 s ALA 66 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.98 1aj2 s ALA 66 Cb -0.10 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 1aj2 s ALA 66 CO 0.27 0.40 1.11 0.00 0.00 0.00 0.00 175.76 177.55 1aj2 s ALA 67 N -1.46 2.79 0.63 0.00 0.00 -1.26 -4.97 121.76 117.49 1aj2 s ALA 67 Ca 0.39 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 1aj2 s ALA 67 Cb -0.16 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1aj2 s ALA 67 CO 0.20 -0.64 1.11 -1.21 0.00 0.00 0.00 175.76 175.21 1aj2 s GLU 68 N -3.15 2.94 0.02 0.00 0.41 -1.26 -4.79 118.70 112.87 1aj2 s GLU 68 Ca 0.70 1.41 0.08 0.00 -0.41 0.00 0.00 54.97 56.75 1aj2 s GLU 68 Cb -0.23 -1.97 -0.02 0.00 -1.78 0.00 0.00 34.13 30.13 1aj2 s GLU 68 CO 0.27 -1.14 -0.23 0.08 -0.49 0.00 0.00 175.26 173.74 1aj2 s VAL 69 N -2.25 1.84 0.46 2.63 1.01 -1.26 -5.14 120.40 117.69 1aj2 s VAL 69 Ca 0.68 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1aj2 s VAL 69 Cb -0.21 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1aj2 s VAL 69 CO 0.39 0.35 0.68 -0.94 0.00 0.00 0.00 175.10 175.57 1aj2 s SER 70 N -0.99 5.75 0.38 3.32 1.04 -1.26 -4.95 113.70 116.99 1aj2 s SER 70 Ca 0.09 0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.81 1aj2 s SER 70 Cb -0.09 -1.42 0.79 0.00 0.10 0.00 0.00 66.02 65.40 1aj2 s SER 70 CO 0.01 -0.76 2.00 0.58 0.98 0.00 0.00 173.24 176.05 1aj2 h VAL 71 N 0.36 1.06 -0.10 5.02 2.07 -2.01 -0.46 116.25 122.19 1aj2 h VAL 71 Ca -0.45 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1aj2 h VAL 71 Cb 1.26 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1aj2 h VAL 71 CO 0.56 0.12 -0.08 -0.33 0.02 0.00 0.00 177.57 177.87 1aj2 h GLU 72 N 0.67 0.23 -0.84 1.57 4.39 -1.98 0.27 114.58 118.89 1aj2 h GLU 72 Ca 0.24 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1aj2 h GLU 72 Cb 0.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1aj2 h GLU 72 CO -0.07 0.62 0.51 0.93 -1.16 0.00 0.00 179.01 179.85 1aj2 h GLU 73 N -0.16 1.14 -0.37 2.33 5.08 -1.83 0.58 114.58 121.34 1aj2 h GLU 73 Ca 0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1aj2 h GLU 73 Cb 0.57 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1aj2 h GLU 73 CO 0.02 0.79 -0.16 0.93 -1.00 0.00 0.00 179.01 179.59 1aj2 h GLU 74 N 1.16 0.77 0.00 2.33 5.08 -0.43 -3.06 114.58 120.42 1aj2 h GLU 74 Ca 0.30 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1aj2 h GLU 74 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1aj2 h GLU 74 CO -0.06 0.94 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.52 1aj2 h LEU 75 N 0.57 0.00 -0.29 1.33 3.38 0.51 -0.22 115.31 120.59 1aj2 h LEU 75 Ca 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1aj2 h LEU 75 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1aj2 h LEU 75 CO 0.05 0.31 -0.84 1.56 0.09 0.00 0.00 178.44 179.61 1aj2 h GLN 76 N 0.00 0.39 0.00 1.13 4.20 -0.92 -3.33 115.11 116.58 1aj2 h GLN 76 Ca -0.00 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1aj2 h GLN 76 Cb 0.91 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1aj2 h GLN 76 CO 0.04 1.03 -0.43 0.54 -0.67 0.00 0.00 178.83 179.34 1aj2 n ARG 77 N -3.78 0.33 0.19 1.46 1.74 -1.06 -4.45 116.66 111.08 1aj2 n ARG 77 Ca -0.05 0.39 -0.15 0.00 -0.77 0.00 0.00 57.85 57.27 1aj2 n ARG 77 Cb 0.77 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.77 1aj2 n ARG 77 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1aj2 h VAL 78 N -0.71 0.67 0.34 1.55 2.07 -1.26 -3.10 116.25 115.81 1aj2 h VAL 78 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1aj2 h VAL 78 Cb 0.43 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1aj2 h VAL 78 CO 0.00 0.00 -0.16 0.40 0.02 0.00 0.00 177.57 177.83 1aj2 h ILE 79 N -0.43 0.67 -0.01 4.57 1.08 -1.70 -0.19 117.51 121.51 1aj2 h ILE 79 Ca -0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1aj2 h ILE 79 Cb 0.34 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1aj2 h ILE 79 CO 0.05 0.01 0.01 1.55 -0.69 0.00 0.00 178.15 179.08 1aj2 h PRO 80 N -0.48 0.00 -0.03 2.37 0.13 -1.77 0.04 132.00 132.26 1aj2 h PRO 80 Ca -0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.86 1aj2 h PRO 80 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1aj2 h PRO 80 CO 0.08 0.00 -0.90 0.28 -0.23 0.00 0.00 178.00 177.23 1aj2 h VAL 81 N 0.00 1.37 0.20 1.56 2.07 -1.39 -2.04 116.25 118.02 1aj2 h VAL 81 Ca 0.01 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 1aj2 h VAL 81 Cb 0.03 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1aj2 h VAL 81 CO -0.00 0.70 -0.10 0.58 0.02 0.00 0.00 177.57 178.77 1aj2 h VAL 82 N 0.29 0.90 -0.85 2.57 2.07 0.07 -2.35 116.25 118.94 1aj2 h VAL 82 Ca -0.07 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1aj2 h VAL 82 Cb 1.52 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 1aj2 h VAL 82 CO 0.16 0.14 0.54 -0.08 0.02 0.00 0.00 177.57 178.35 1aj2 h GLU 83 N -0.60 0.99 -0.29 1.57 4.81 -1.08 -1.78 114.58 118.20 1aj2 h GLU 83 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1aj2 h GLU 83 Cb 0.44 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1aj2 h GLU 83 CO 0.04 0.66 0.13 0.00 -0.73 0.00 0.00 179.01 179.11 1aj2 h ALA 84 N 1.38 0.38 0.23 2.92 0.00 -1.40 -2.12 119.26 120.65 1aj2 h ALA 84 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1aj2 h ALA 84 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1aj2 h ALA 84 CO -0.14 -0.04 -0.11 0.82 0.00 0.00 0.00 179.25 179.78 1aj2 h ILE 85 N 0.33 0.83 -0.18 0.00 2.04 -0.84 -0.82 117.51 118.87 1aj2 h ILE 85 Ca 0.10 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1aj2 h ILE 85 Cb 0.15 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1aj2 h ILE 85 CO -0.01 0.09 0.17 0.00 0.00 0.00 0.00 178.15 178.40 1aj2 h ALA 86 N 0.17 1.92 -0.00 1.87 0.00 -1.38 0.26 119.26 122.10 1aj2 h ALA 86 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1aj2 h ALA 86 Cb 0.40 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aj2 h ALA 86 CO 0.05 -0.26 -0.29 1.96 0.00 0.00 0.00 179.25 180.71 1aj2 h GLN 87 N 0.00 0.20 -0.02 0.00 4.20 -0.98 -3.37 115.11 115.14 1aj2 h GLN 87 Ca 0.09 -0.21 -0.23 0.00 0.06 0.00 0.00 58.65 58.36 1aj2 h GLN 87 Cb 0.43 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1aj2 h GLN 87 CO -0.00 0.94 -0.93 0.00 -0.67 0.00 0.00 178.83 178.17 1aj2 h ARG 88 N -0.46 0.49 -4.95 1.46 -0.00 0.32 -3.48 114.38 107.76 1aj2 h ARG 88 Ca -0.04 -0.51 -0.37 0.00 -0.50 0.00 0.00 59.98 58.57 1aj2 h ARG 88 Cb 1.04 0.14 -0.14 0.00 0.00 0.00 0.00 29.97 31.00 1aj2 h ARG 88 CO 0.06 1.15 -0.62 -0.06 0.00 0.00 0.00 179.97 180.49 1aj2 s PHE 89 N -3.35 1.59 -0.33 3.04 0.08 0.76 -5.05 117.98 114.72 1aj2 s PHE 89 Ca -0.07 -1.11 0.10 0.00 0.12 0.00 0.00 56.93 55.97 1aj2 s PHE 89 Cb 0.09 -0.95 0.76 0.00 -0.57 0.00 0.00 43.02 42.34 1aj2 s PHE 89 CO 0.88 -0.25 1.81 0.39 -0.10 0.00 0.00 175.22 177.95 1aj2 n GLU 90 N -0.48 3.83 -1.15 0.44 4.71 -1.26 -4.57 120.64 122.15 1aj2 n GLU 90 Ca -0.01 -3.07 -0.29 0.00 -0.01 0.00 0.00 57.16 53.78 1aj2 n GLU 90 Cb 0.66 -2.23 0.16 0.00 -1.01 0.00 0.00 31.44 29.02 1aj2 n GLU 90 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1aj2 s VAL 91 N -2.96 2.33 0.08 2.62 -7.23 -1.26 -5.06 120.40 108.93 1aj2 s VAL 91 Ca 0.55 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.77 1aj2 s VAL 91 Cb 0.44 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1aj2 s VAL 91 CO 0.14 -0.14 0.33 0.26 -0.31 0.00 0.00 175.10 175.38 1aj2 s TRP 92 N -2.93 3.54 -0.12 2.82 0.52 -0.83 -4.95 118.94 116.99 1aj2 s TRP 92 Ca 0.65 0.59 0.01 0.00 0.02 0.00 0.00 56.10 57.37 1aj2 s TRP 92 Cb -0.19 -2.02 0.02 0.00 -1.15 0.00 0.00 33.47 30.13 1aj2 s TRP 92 CO 0.58 0.52 -0.14 0.42 0.02 0.00 0.00 176.95 178.35 1aj2 s ILE 93 N -1.47 1.42 0.02 2.03 1.01 -1.26 -0.96 121.20 122.00 1aj2 s ILE 93 Ca 0.34 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1aj2 s ILE 93 Cb -0.13 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1aj2 s ILE 93 CO 0.20 0.43 0.02 -0.44 0.00 0.00 0.00 174.94 175.16 1aj2 s SER 94 N 1.20 5.25 -0.13 3.58 0.01 -0.27 0.15 113.70 123.48 1aj2 s SER 94 Ca -0.02 -0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 1aj2 s SER 94 Cb -0.14 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1aj2 s SER 94 CO -0.05 0.25 -0.13 -0.69 0.41 0.00 0.00 173.24 173.04 1aj2 s VAL 95 N -1.17 3.08 -1.03 3.43 1.01 -0.67 -1.29 120.40 123.76 1aj2 s VAL 95 Ca 0.22 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1aj2 s VAL 95 Cb -0.12 -2.30 0.26 0.00 0.00 0.00 0.00 36.38 34.22 1aj2 s VAL 95 CO 0.13 0.52 0.99 -0.62 0.00 0.00 0.00 175.10 176.13 1aj2 s ASP 96 N 0.36 6.90 0.27 3.32 -1.08 -0.36 -0.90 116.67 125.17 1aj2 s ASP 96 Ca -0.11 -3.56 0.05 0.00 -0.52 0.00 0.00 52.55 48.42 1aj2 s ASP 96 Cb -0.16 -2.12 -0.06 0.00 -1.46 0.00 0.00 42.92 39.12 1aj2 s ASP 96 CO 0.06 -0.28 -0.03 0.28 0.52 0.00 0.00 175.17 175.72 1aj2 s THR 97 N -1.18 1.41 0.00 1.71 -1.32 -1.26 -4.08 115.64 110.92 1aj2 s THR 97 Ca 0.29 -2.08 0.00 0.00 -1.21 0.00 0.00 61.69 58.69 1aj2 s THR 97 Cb -0.09 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 1aj2 s THR 97 CO -0.09 -0.28 0.14 -1.20 -2.21 0.00 0.00 174.62 170.97 1aj2 n SER 98 N -0.54 0.27 -4.81 8.08 7.64 -1.26 -3.85 113.62 119.15 1aj2 n SER 98 Ca -0.05 -0.61 -0.38 0.00 1.01 0.00 0.00 58.87 58.84 1aj2 n SER 98 Cb 0.64 0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 64.35 1aj2 n SER 98 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1aj2 s LYS 99 N -0.57 4.01 0.18 1.43 1.02 -1.26 -4.73 119.74 119.82 1aj2 s LYS 99 Ca 0.00 0.38 -0.14 0.00 0.02 0.00 0.00 55.97 56.23 1aj2 s LYS 99 Cb 0.00 -3.27 0.18 0.00 -0.52 0.00 0.00 37.83 34.21 1aj2 s LYS 99 CO 0.00 0.56 1.68 -1.35 -0.92 0.00 0.00 175.35 175.33 1aj2 h PRO 100 N 5.23 0.11 -0.98 -1.68 0.11 -1.87 -1.76 132.00 131.16 1aj2 h PRO 100 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1aj2 h PRO 100 Cb 1.21 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1aj2 h PRO 100 CO 0.65 0.07 0.64 0.93 -0.21 0.00 0.00 178.00 180.09 1aj2 h GLU 101 N 0.11 1.25 -0.05 1.05 3.07 -1.95 0.18 114.58 118.24 1aj2 h GLU 101 Ca 0.24 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.86 1aj2 h GLU 101 Cb 0.36 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1aj2 h GLU 101 CO -0.41 0.82 -0.72 0.28 -1.40 0.00 0.00 179.01 177.58 1aj2 h VAL 102 N 1.28 1.42 0.54 3.13 2.07 -1.91 -0.82 116.25 121.96 1aj2 h VAL 102 Ca 0.37 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 1aj2 h VAL 102 Cb -0.08 2.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1aj2 h VAL 102 CO -0.10 0.66 -0.26 0.40 0.02 0.00 0.00 177.57 178.29 1aj2 h ILE 103 N 0.19 0.37 -0.85 4.57 2.04 -0.24 -1.59 117.51 121.99 1aj2 h ILE 103 Ca -0.03 -0.34 0.15 0.00 1.00 0.00 0.00 64.86 65.64 1aj2 h ILE 103 Cb 1.29 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 1aj2 h ILE 103 CO 0.12 0.05 0.44 0.03 0.00 0.00 0.00 178.15 178.78 1aj2 h ARG 104 N -0.96 0.62 -0.01 2.37 3.08 -1.03 -2.40 114.38 116.05 1aj2 h ARG 104 Ca -0.07 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1aj2 h ARG 104 Cb 0.63 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1aj2 h ARG 104 CO 0.12 0.41 -0.77 0.93 -1.07 0.00 0.00 179.97 179.59 1aj2 h GLU 105 N 0.64 0.13 -0.25 0.04 4.39 -1.12 -3.04 114.58 115.36 1aj2 h GLU 105 Ca 0.46 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.96 1aj2 h GLU 105 Cb 0.65 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1aj2 h GLU 105 CO -0.36 0.83 -0.24 0.77 -1.16 0.00 0.00 179.01 178.85 1aj2 h SER 106 N 0.08 0.46 0.54 1.42 0.02 -0.80 -2.39 113.55 112.88 1aj2 h SER 106 Ca -0.02 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1aj2 h SER 106 Cb 1.34 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1aj2 h SER 106 CO 0.11 0.70 -0.30 0.00 -1.14 0.00 0.00 176.83 176.21 1aj2 h ALA 107 N 1.34 -0.78 -0.97 3.77 0.00 -1.45 0.15 119.26 121.32 1aj2 h ALA 107 Ca 0.06 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1aj2 h ALA 107 Cb 0.64 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1aj2 h ALA 107 CO 0.05 -0.94 0.64 0.87 0.00 0.00 0.00 179.25 179.86 1aj2 h LYS 108 N -0.78 1.21 -0.01 0.00 1.57 -1.38 -2.23 116.57 114.96 1aj2 h LYS 108 Ca -0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1aj2 h LYS 108 Cb 0.62 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1aj2 h LYS 108 CO 0.09 0.80 0.00 1.33 -0.57 0.00 0.00 179.45 181.11 1aj2 n VAL 109 N -4.43 0.00 0.00 0.50 0.24 -0.92 -4.90 118.33 108.82 1aj2 n VAL 109 Ca 0.13 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1aj2 n VAL 109 Cb 0.08 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1aj2 n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aj2 n GLY 110 N 1.05 1.83 3.86 7.63 0.00 -0.84 -4.50 105.19 114.22 1aj2 n GLY 110 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1aj2 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj2 s ALA 111 N -2.00 3.10 -0.13 4.61 0.00 0.00 -4.80 121.76 122.54 1aj2 s ALA 111 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1aj2 s ALA 111 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1aj2 s ALA 111 CO 0.00 -0.56 -0.11 0.72 0.00 0.00 0.00 175.76 175.81 1aj2 n HIS 112 N -2.42 0.00 -4.74 0.00 8.25 0.12 -4.73 115.22 111.70 1aj2 n HIS 112 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 1aj2 n HIS 112 Cb 0.54 -0.49 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 1aj2 n HIS 112 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1aj2 s ILE 113 N -2.25 1.26 -0.20 1.59 1.01 -0.95 -4.11 121.20 117.55 1aj2 s ILE 113 Ca -0.17 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 1aj2 s ILE 113 Cb 0.04 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1aj2 s ILE 113 CO 0.30 0.36 0.26 -0.63 0.00 0.00 0.00 174.94 175.23 1aj2 s ILE 114 N -0.21 5.31 -0.57 2.92 1.01 -0.06 -1.67 121.20 127.93 1aj2 s ILE 114 Ca 0.03 0.44 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1aj2 s ILE 114 Cb -0.08 -3.60 0.27 0.00 0.01 0.00 0.00 42.46 39.07 1aj2 s ILE 114 CO 0.00 0.35 0.75 -3.20 0.00 0.00 0.00 174.94 172.84 1aj2 n ASN 115 N 3.97 3.17 -4.55 3.58 5.15 -0.08 -1.20 115.26 125.30 1aj2 n ASN 115 Ca -0.12 -3.35 -0.43 0.00 -0.60 0.00 0.00 54.58 50.08 1aj2 n ASN 115 Cb 0.52 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.09 1aj2 n ASN 115 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1aj2 s ASP 116 N -2.47 6.39 0.64 1.20 2.15 -1.25 -4.18 116.67 119.15 1aj2 s ASP 116 Ca 0.41 -0.12 0.40 0.00 0.43 0.00 0.00 52.55 53.67 1aj2 s ASP 116 Cb 0.19 -2.49 2.20 0.00 -0.30 0.00 0.00 42.92 42.51 1aj2 s ASP 116 CO -0.06 -1.35 2.32 0.16 -0.17 0.00 0.00 175.17 176.07 1aj2 h ILE 117 N 6.09 0.17 -0.02 4.11 -0.00 -1.89 0.21 117.51 126.19 1aj2 h ILE 117 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.57 1aj2 h ILE 117 Cb 1.06 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 38.91 1aj2 h ILE 117 CO 1.14 0.00 0.00 0.54 -0.00 0.00 0.00 178.15 179.83 1aj2 n ARG 118 N -3.32 1.07 -3.76 0.16 1.74 -1.26 -4.64 116.66 106.64 1aj2 n ARG 118 Ca -0.03 -0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.72 1aj2 n ARG 118 Cb 0.09 -1.25 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1aj2 n ARG 118 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1aj2 n SER 119 N -0.64 -1.25 -4.31 0.55 7.64 0.75 -2.39 113.62 113.97 1aj2 n SER 119 Ca 0.12 -0.88 -0.38 0.00 1.01 0.00 0.00 58.87 58.74 1aj2 n SER 119 Cb 0.08 -3.76 -0.04 0.00 -1.01 0.00 0.00 64.21 59.47 1aj2 n SER 119 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1aj2 n LEU 120 N -4.28 -1.47 -0.40 -3.43 7.99 -1.26 -4.90 117.00 109.24 1aj2 n LEU 120 Ca -0.29 -1.08 0.13 0.00 -0.01 0.00 0.00 56.01 54.76 1aj2 n LEU 120 Cb 0.67 -1.95 0.34 0.00 -0.11 0.00 0.00 43.42 42.37 1aj2 n LEU 120 CO 0.70 0.25 0.66 -1.54 -1.51 0.00 0.00 177.39 175.95 1aj2 n SER 121 N -2.61 1.46 -4.77 -1.43 3.41 -1.01 -3.95 113.62 104.73 1aj2 n SER 121 Ca 0.08 -1.24 -0.39 0.00 -0.26 0.00 0.00 58.87 57.05 1aj2 n SER 121 Cb 0.49 0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1aj2 n SER 121 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aj2 s GLU 122 N -2.32 4.47 -0.48 4.33 0.41 -1.26 -4.93 118.70 118.93 1aj2 s GLU 122 Ca 0.28 1.03 -0.20 0.00 -0.41 0.00 0.00 54.97 55.67 1aj2 s GLU 122 Cb 0.20 -3.31 -0.12 0.00 -1.78 0.00 0.00 34.13 29.12 1aj2 s GLU 122 CO 0.46 0.44 1.42 -2.30 -0.49 0.00 0.00 175.26 174.79 1aj2 n PRO 123 N 2.22 0.00 0.00 0.39 -0.02 -1.26 -0.42 135.00 135.91 1aj2 n PRO 123 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1aj2 n PRO 123 Cb 0.50 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 1aj2 n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aj2 n GLY 124 N 3.81 0.22 0.12 -1.23 0.00 -1.26 -4.82 105.19 102.04 1aj2 n GLY 124 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1aj2 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj2 h ALA 125 N 0.00 -0.20 -0.39 4.61 0.00 -1.00 -2.89 119.26 119.39 1aj2 h ALA 125 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1aj2 h ALA 125 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1aj2 h ALA 125 CO 0.00 -0.38 -0.02 1.25 0.00 0.00 0.00 179.25 180.10 1aj2 h LEU 126 N -0.66 -0.20 -1.03 0.00 5.85 -1.78 -1.04 115.31 116.45 1aj2 h LEU 126 Ca -0.02 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1aj2 h LEU 126 Cb 0.49 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1aj2 h LEU 126 CO 0.03 -0.06 -0.33 1.05 -0.34 0.00 0.00 178.44 178.79 1aj2 h GLU 127 N 0.08 0.28 -0.45 1.25 9.09 -1.93 0.21 114.58 123.11 1aj2 h GLU 127 Ca 0.19 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 59.46 1aj2 h GLU 127 Cb 0.28 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.35 1aj2 h GLU 127 CO -0.34 0.58 0.15 0.00 0.05 0.00 0.00 179.01 179.45 1aj2 h ALA 128 N 1.42 0.58 -0.81 1.06 0.00 -1.08 0.39 119.26 120.82 1aj2 h ALA 128 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1aj2 h ALA 128 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1aj2 h ALA 128 CO 0.05 0.23 0.49 0.00 0.00 0.00 0.00 179.25 180.02 1aj2 h ALA 129 N 1.00 1.03 -0.26 0.00 0.00 -0.88 -2.16 119.26 117.99 1aj2 h ALA 129 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1aj2 h ALA 129 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1aj2 h ALA 129 CO -0.01 0.50 0.05 0.00 0.00 0.00 0.00 179.25 179.79 1aj2 h ALA 130 N 1.27 0.34 0.00 0.00 0.00 0.05 -1.40 119.26 119.52 1aj2 h ALA 130 Ca 0.29 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1aj2 h ALA 130 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1aj2 h ALA 130 CO -0.06 0.01 -0.41 1.05 0.00 0.00 0.00 179.25 179.85 1aj2 h GLU 131 N 0.25 0.00 0.30 0.00 4.11 -0.84 -2.32 114.58 116.08 1aj2 h GLU 131 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1aj2 h GLU 131 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1aj2 h GLU 131 CO 0.00 0.41 -0.14 1.15 0.07 0.00 0.00 179.01 180.50 1aj2 h THR 132 N 0.00 0.72 0.00 -1.06 2.02 -1.11 -3.48 112.91 110.00 1aj2 h THR 132 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1aj2 h THR 132 Cb 0.74 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1aj2 h THR 132 CO 0.05 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1aj2 n GLY 133 N -1.15 0.58 3.97 2.16 0.00 -0.55 -5.08 105.19 105.11 1aj2 n GLY 133 Ca -0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1aj2 n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aj2 s LEU 134 N 0.00 4.32 0.24 0.99 1.43 -1.26 -5.04 118.68 119.36 1aj2 s LEU 134 Ca 0.00 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1aj2 s LEU 134 Cb 0.00 -2.87 -0.15 0.00 0.03 0.00 0.00 46.19 43.20 1aj2 s LEU 134 CO 0.00 -0.05 0.93 -2.65 0.23 0.00 0.00 176.35 174.81 1aj2 n PRO 135 N -1.26 0.97 -4.86 1.29 -0.02 -1.26 -4.81 135.00 125.06 1aj2 n PRO 135 Ca -0.09 0.34 -0.26 0.00 -2.02 0.00 0.00 63.50 61.48 1aj2 n PRO 135 Cb 0.56 -1.65 -0.16 0.00 -0.02 0.00 0.00 33.50 32.23 1aj2 n PRO 135 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1aj2 s VAL 136 N -0.85 1.43 -0.17 -1.45 1.01 -0.58 -0.88 120.40 118.91 1aj2 s VAL 136 Ca 0.63 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1aj2 s VAL 136 Cb -0.79 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1aj2 s VAL 136 CO 0.57 0.41 0.13 0.00 0.00 0.00 0.00 175.10 176.22 1aj2 s LEU 138 N -0.13 3.37 -0.04 0.00 1.43 -0.10 -4.31 118.68 118.89 1aj2 s LEU 138 Ca 0.10 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1aj2 s LEU 138 Cb -0.11 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1aj2 s LEU 138 CO 0.00 0.22 -0.18 -0.32 0.23 0.00 0.00 176.35 176.30 1aj2 s MET 139 N 0.08 1.85 0.05 1.70 1.75 -1.26 -0.89 119.30 122.57 1aj2 s MET 139 Ca 0.01 -0.65 -0.31 0.00 -1.25 0.00 0.00 55.69 53.49 1aj2 s MET 139 Cb -0.13 -1.61 -0.05 0.00 2.84 0.00 0.00 34.83 35.87 1aj2 s MET 139 CO 0.02 0.27 1.22 -1.58 -0.65 0.00 0.00 175.02 174.31 1aj2 s HIS 140 N -0.03 3.37 0.00 4.11 2.46 -0.84 -4.71 115.29 119.66 1aj2 s HIS 140 Ca -0.03 1.25 0.00 0.00 0.47 0.00 0.00 55.06 56.75 1aj2 s HIS 140 Cb -0.11 -3.45 -0.00 0.00 -0.13 0.00 0.00 32.58 28.89 1aj2 s HIS 140 CO 0.02 -1.40 -0.02 1.41 -2.47 0.00 0.00 174.74 172.29 1aj2 s MET 141 N 1.26 0.14 -0.10 2.88 0.00 -1.26 -3.92 119.30 118.30 1aj2 s MET 141 Ca 0.59 -0.15 0.02 0.00 0.00 0.00 0.00 55.69 56.15 1aj2 s MET 141 Cb -0.29 -0.07 0.01 0.00 0.00 0.00 0.00 34.83 34.48 1aj2 s MET 141 CO 0.28 0.01 -0.16 -1.14 0.00 0.00 0.00 175.02 174.02 1aj2 s GLN 142 N -0.28 2.23 0.66 4.11 2.00 -1.16 -5.01 119.66 122.21 1aj2 s GLN 142 Ca -0.02 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 52.77 1aj2 s GLN 142 Cb -0.02 -1.86 0.00 0.00 0.80 0.00 0.00 33.01 31.93 1aj2 s GLN 142 CO -0.00 -0.03 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 1aj2 n GLY 143 N 4.08 -2.03 3.56 2.59 0.00 -1.26 -3.78 105.19 108.35 1aj2 n GLY 143 Ca -0.20 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1aj2 n GLY 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aj2 s ASN 144 N -3.85 5.35 0.29 1.61 3.84 -1.26 -4.98 114.94 115.94 1aj2 s ASN 144 Ca 0.00 -0.04 0.04 0.00 0.21 0.00 0.00 52.86 53.07 1aj2 s ASN 144 Cb 0.00 -1.92 0.75 0.00 -0.55 0.00 0.00 41.25 39.53 1aj2 s ASN 144 CO 0.00 0.11 1.66 1.55 -2.79 0.00 0.00 177.10 177.63 1aj2 h PRO 145 N 7.17 0.27 -0.91 0.43 0.13 -1.88 -2.66 132.00 134.56 1aj2 h PRO 145 Ca -0.36 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1aj2 h PRO 145 Cb 1.17 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1aj2 h PRO 145 CO 0.65 0.18 0.03 1.63 -0.23 0.00 0.00 178.00 180.26 1aj2 n LYS 146 N -5.15 1.92 -3.09 0.86 5.02 -1.25 -3.92 118.16 112.55 1aj2 n LYS 146 Ca 0.23 -0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 55.50 1aj2 n LYS 146 Cb 0.70 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1aj2 n LYS 146 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aj2 s THR 147 N -1.37 2.83 -0.44 -0.18 -4.23 -1.00 0.44 115.64 111.70 1aj2 s THR 147 Ca 0.15 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1aj2 s THR 147 Cb 0.11 -2.88 0.47 0.00 1.34 0.00 0.00 72.50 71.54 1aj2 s THR 147 CO 0.04 0.00 1.57 0.23 -0.54 0.00 0.00 174.62 175.92 1aj2 n MET 148 N -1.86 3.00 -4.03 3.99 2.81 -1.26 -4.47 117.12 115.29 1aj2 n MET 148 Ca 0.08 -3.68 -0.35 0.00 -1.81 0.00 0.00 57.70 51.95 1aj2 n MET 148 Cb 0.60 -2.22 -0.07 0.00 -0.71 0.00 0.00 33.22 30.82 1aj2 n MET 148 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1aj2 s GLN 149 N -3.64 3.25 0.98 0.03 -2.07 -1.26 -5.10 119.66 111.86 1aj2 s GLN 149 Ca 0.56 -0.32 -0.15 0.00 -1.82 0.00 0.00 55.36 53.63 1aj2 s GLN 149 Cb 0.45 -3.01 0.19 0.00 -1.09 0.00 0.00 33.01 29.55 1aj2 s GLN 149 CO 0.02 0.71 1.20 -1.21 -1.32 0.00 0.00 175.29 174.68 1aj2 s GLU 150 N -1.40 0.53 0.38 9.60 0.41 -1.26 -5.00 118.70 121.95 1aj2 s GLU 150 Ca 0.19 -0.04 -0.17 0.00 -0.41 0.00 0.00 54.97 54.55 1aj2 s GLU 150 Cb -0.12 -1.80 -0.09 0.00 -1.78 0.00 0.00 34.13 30.34 1aj2 s GLU 150 CO 0.10 -2.55 0.82 0.00 -0.49 0.00 0.00 175.26 173.14 1aj2 s ALA 151 N -3.45 3.22 1.17 5.21 0.00 -1.26 -5.04 121.76 121.61 1aj2 s ALA 151 Ca 0.69 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 1aj2 s ALA 151 Cb -0.10 -2.90 0.26 0.00 0.00 0.00 0.00 23.12 20.38 1aj2 s ALA 151 CO 0.53 0.20 0.84 -2.30 0.00 0.00 0.00 175.76 175.04 1aj2 n PRO 152 N -0.61 -2.36 -4.43 0.00 -0.02 -1.26 -5.03 135.00 121.30 1aj2 n PRO 152 Ca 0.05 -0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 60.53 1aj2 n PRO 152 Cb 0.54 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 1aj2 n PRO 152 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1aj2 s LYS 153 N -4.23 3.27 0.10 -0.52 1.02 -1.26 -4.85 119.74 113.26 1aj2 s LYS 153 Ca 0.66 -0.48 0.10 0.00 0.02 0.00 0.00 55.97 56.27 1aj2 s LYS 153 Cb -0.23 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1aj2 s LYS 153 CO 0.65 0.48 -0.25 0.71 -0.92 0.00 0.00 175.35 176.02 1aj2 s TYR 154 N -0.28 2.36 0.09 3.18 2.02 -1.26 -4.98 117.35 118.47 1aj2 s TYR 154 Ca 0.05 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.24 1aj2 s TYR 154 Cb -0.12 -1.32 -0.14 0.00 -0.40 0.00 0.00 41.96 39.98 1aj2 s TYR 154 CO 0.02 0.28 1.32 -0.44 -1.57 0.00 0.00 175.55 175.17 1aj2 h ASP 155 N 4.16 0.82 -2.79 2.29 5.19 -2.04 -3.43 116.42 120.60 1aj2 h ASP 155 Ca -0.49 -0.58 -0.01 0.00 -0.62 0.00 0.00 57.03 55.32 1aj2 h ASP 155 Cb 1.16 -0.24 -0.23 0.00 0.18 0.00 0.00 39.33 40.21 1aj2 h ASP 155 CO 0.42 1.26 -0.12 -0.62 -3.12 0.00 0.00 179.24 177.05 1aj2 s ASP 156 N -6.83 -0.82 0.08 6.45 -1.08 -1.26 -5.08 116.67 108.13 1aj2 s ASP 156 Ca -0.12 1.34 -0.09 0.00 -0.52 0.00 0.00 52.55 53.16 1aj2 s ASP 156 Cb 0.08 1.44 -0.23 0.00 -1.46 0.00 0.00 42.92 42.75 1aj2 s ASP 156 CO 0.86 -0.22 1.17 1.62 0.52 0.00 0.00 175.17 179.12 1aj2 h VAL 157 N 5.44 1.37 0.08 1.11 3.04 -1.96 -2.60 116.25 122.73 1aj2 h VAL 157 Ca -0.28 -2.59 -0.00 0.00 -1.01 0.00 0.00 66.70 62.82 1aj2 h VAL 157 Cb 1.18 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 33.13 1aj2 h VAL 157 CO 0.17 0.78 -0.04 0.15 -1.01 0.00 0.00 177.57 177.62 1aj2 h PHE 158 N 0.22 -0.10 -0.97 3.17 3.04 -1.95 -0.12 116.94 120.22 1aj2 h PHE 158 Ca -0.14 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.85 1aj2 h PHE 158 Cb 1.83 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 40.31 1aj2 h PHE 158 CO 0.09 0.02 0.63 0.00 -2.02 0.00 0.00 178.31 177.03 1aj2 h ALA 159 N 0.71 1.30 0.05 2.41 0.00 -1.99 0.97 119.26 122.72 1aj2 h ALA 159 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1aj2 h ALA 159 Cb 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1aj2 h ALA 159 CO 0.02 0.49 -0.03 1.49 0.00 0.00 0.00 179.25 181.23 1aj2 h GLU 160 N 1.21 -0.07 -0.46 0.00 4.57 -1.21 -0.17 114.58 118.45 1aj2 h GLU 160 Ca 0.40 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.67 1aj2 h GLU 160 Cb 0.04 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.58 1aj2 h GLU 160 CO -0.14 0.35 0.03 0.28 -1.18 0.00 0.00 179.01 178.36 1aj2 h VAL 161 N -0.51 0.67 -0.44 0.32 2.07 -0.78 -1.03 116.25 116.56 1aj2 h VAL 161 Ca -0.01 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1aj2 h VAL 161 Cb 0.45 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1aj2 h VAL 161 CO 0.01 0.03 0.26 -1.13 0.02 0.00 0.00 177.57 176.76 1aj2 h ASN 162 N 0.14 0.44 -0.92 0.57 -1.24 -0.73 -1.86 115.58 111.98 1aj2 h ASN 162 Ca 0.23 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1aj2 h ASN 162 Cb 0.33 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 1aj2 h ASN 162 CO -0.36 0.31 0.53 -0.09 -1.29 0.00 0.00 177.43 176.54 1aj2 h ARG 163 N 0.54 1.27 -0.48 6.67 2.43 -0.57 -1.70 114.38 122.54 1aj2 h ARG 163 Ca 0.17 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1aj2 h ARG 163 Cb -0.01 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.23 1aj2 h ARG 163 CO -0.07 0.91 0.18 -0.92 -1.51 0.00 0.00 179.97 178.56 1aj2 h TYR 164 N 1.28 0.32 -0.37 2.20 5.03 -0.83 -1.56 116.97 123.04 1aj2 h TYR 164 Ca 0.33 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.61 1aj2 h TYR 164 Cb -0.01 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 1aj2 h TYR 164 CO 0.01 0.11 0.03 0.74 -1.32 0.00 0.00 178.16 177.73 1aj2 h PHE 165 N 0.36 0.68 -0.19 -3.82 0.04 -0.50 -0.92 116.94 112.58 1aj2 h PHE 165 Ca 0.22 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.94 1aj2 h PHE 165 Cb 0.22 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 1aj2 h PHE 165 CO -0.15 0.70 -0.29 0.82 -0.60 0.00 0.00 178.31 178.79 1aj2 h ILE 166 N 0.46 0.33 -0.36 -0.55 2.04 -1.22 -0.82 117.51 117.39 1aj2 h ILE 166 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1aj2 h ILE 166 Cb 0.41 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1aj2 h ILE 166 CO 0.01 0.00 0.15 -0.08 0.00 0.00 0.00 178.15 178.23 1aj2 h GLU 167 N -0.33 0.31 -0.55 2.37 4.81 -1.13 -2.84 114.58 117.21 1aj2 h GLU 167 Ca 0.12 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1aj2 h GLU 167 Cb 0.51 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1aj2 h GLU 167 CO -0.38 0.20 0.03 1.96 -0.73 0.00 0.00 179.01 180.10 1aj2 h GLN 168 N 0.32 0.92 -0.38 1.92 1.08 -0.67 -1.92 115.11 116.38 1aj2 h GLN 168 Ca 0.16 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1aj2 h GLN 168 Cb 0.11 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1aj2 h GLN 168 CO -0.14 0.90 0.00 0.82 -0.95 0.00 0.00 178.83 179.46 1aj2 h ILE 169 N 0.86 1.26 -0.26 2.54 2.04 -1.06 -2.07 117.51 120.82 1aj2 h ILE 169 Ca 0.17 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1aj2 h ILE 169 Cb 0.46 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1aj2 h ILE 169 CO 0.02 0.33 0.03 0.00 0.00 0.00 0.00 178.15 178.53 1aj2 h ALA 170 N 0.88 0.26 -0.68 1.87 0.00 -1.34 0.34 119.26 120.59 1aj2 h ALA 170 Ca 0.11 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1aj2 h ALA 170 Cb 0.47 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1aj2 h ALA 170 CO 0.02 -0.39 0.08 -0.09 0.00 0.00 0.00 179.25 178.88 1aj2 h ARG 171 N 0.12 0.18 -0.49 0.00 2.43 -1.11 0.14 114.38 115.65 1aj2 h ARG 171 Ca 0.12 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1aj2 h ARG 171 Cb 0.14 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1aj2 h ARG 171 CO -0.18 0.12 -0.10 0.00 -1.51 0.00 0.00 179.97 178.30 1aj2 h GLU 173 N 0.79 0.31 -0.93 0.00 5.08 0.29 -0.80 114.58 119.32 1aj2 h GLU 173 Ca 0.13 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1aj2 h GLU 173 Cb 0.65 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1aj2 h GLU 173 CO 0.05 0.44 0.60 1.96 -1.00 0.00 0.00 179.01 181.05 1aj2 h GLN 174 N 0.13 0.98 0.00 2.33 4.20 -0.91 0.36 115.11 122.19 1aj2 h GLN 174 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aj2 h GLN 174 Cb 0.27 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1aj2 h GLN 174 CO 0.00 0.65 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 1aj2 n ALA 175 N -2.39 1.40 -0.08 3.87 0.00 -0.62 -4.87 120.51 117.83 1aj2 n ALA 175 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1aj2 n ALA 175 Cb 0.24 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1aj2 n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj2 n GLY 176 N -0.56 1.09 3.44 0.00 0.00 0.13 -4.92 105.19 104.37 1aj2 n GLY 176 Ca 0.01 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1aj2 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aj2 s ILE 177 N -2.00 4.71 0.41 -0.61 1.01 -0.40 -5.01 121.20 119.31 1aj2 s ILE 177 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1aj2 s ILE 177 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 1aj2 s ILE 177 CO 0.00 -0.01 1.38 0.00 0.00 0.00 0.00 174.94 176.32 1aj2 s ALA 178 N 1.62 3.32 0.45 9.38 0.00 -1.26 -3.31 121.76 131.96 1aj2 s ALA 178 Ca 0.04 1.38 0.32 0.00 0.00 0.00 0.00 51.96 53.71 1aj2 s ALA 178 Cb -0.18 -3.55 1.74 0.00 0.00 0.00 0.00 23.12 21.14 1aj2 s ALA 178 CO 0.07 -1.00 1.97 -0.22 0.00 0.00 0.00 175.76 176.58 1aj2 h LYS 179 N 2.64 0.00 0.00 0.00 3.64 -1.95 0.14 116.57 121.04 1aj2 h LYS 179 Ca -0.50 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1aj2 h LYS 179 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1aj2 h LYS 179 CO 0.62 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.72 1aj2 h GLU 180 N 0.00 0.00 -0.42 1.90 3.07 -1.99 -3.10 114.58 114.04 1aj2 h GLU 180 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1aj2 h GLU 180 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1aj2 h GLU 180 CO 0.00 0.02 0.00 1.63 -1.40 0.00 0.00 179.01 179.26 1aj2 n LYS 181 N -3.67 2.99 -3.66 2.33 5.02 0.49 -5.01 118.16 116.66 1aj2 n LYS 181 Ca -0.03 -2.38 -0.30 0.00 -2.02 0.00 0.00 58.31 53.58 1aj2 n LYS 181 Cb 0.10 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1aj2 n LYS 181 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aj2 s LEU 182 N -1.44 4.24 0.09 -0.35 1.43 -1.18 -1.53 118.68 119.95 1aj2 s LEU 182 Ca 0.33 0.54 0.09 0.00 -1.03 0.00 0.00 54.13 54.06 1aj2 s LEU 182 Cb 0.20 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1aj2 s LEU 182 CO 0.18 0.01 -0.23 -0.76 0.23 0.00 0.00 176.35 175.77 1aj2 s LEU 183 N -2.91 2.27 0.11 1.79 1.02 -0.38 -4.26 118.68 116.31 1aj2 s LEU 183 Ca 0.40 -0.66 0.08 0.00 0.02 0.00 0.00 54.13 53.97 1aj2 s LEU 183 Cb -0.12 -1.05 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 1aj2 s LEU 183 CO 0.26 0.14 -0.13 -0.76 0.02 0.00 0.00 176.35 175.88 1aj2 s LEU 184 N -1.74 2.91 -0.15 1.79 1.43 -0.07 -0.93 118.68 121.92 1aj2 s LEU 184 Ca 0.10 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1aj2 s LEU 184 Cb -0.10 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.48 1aj2 s LEU 184 CO 0.04 0.18 0.28 -0.62 0.23 0.00 0.00 176.35 176.46 1aj2 s ASP 185 N -2.16 0.42 0.00 2.29 -1.08 -0.07 -0.73 116.67 115.34 1aj2 s ASP 185 Ca 0.20 0.50 0.07 0.00 -0.52 0.00 0.00 52.55 52.80 1aj2 s ASP 185 Cb -0.11 0.75 0.29 0.00 -1.46 0.00 0.00 42.92 42.39 1aj2 s ASP 185 CO 0.12 -0.25 1.20 -0.81 0.52 0.00 0.00 175.17 175.94 1aj2 n PRO 186 N 5.35 0.01 -2.14 4.34 -0.04 -1.26 -1.98 135.00 139.28 1aj2 n PRO 186 Ca -0.06 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.73 1aj2 n PRO 186 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1aj2 n PRO 186 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aj2 n GLY 187 N -0.79 -0.28 3.70 0.55 0.00 -1.25 -4.22 105.19 102.90 1aj2 n GLY 187 Ca 0.02 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1aj2 n GLY 187 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj2 s PHE 188 N -3.07 2.83 0.00 1.61 0.08 -1.26 -1.77 117.98 116.40 1aj2 s PHE 188 Ca 0.09 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1aj2 s PHE 188 Cb -0.01 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1aj2 s PHE 188 CO 0.29 -3.10 0.00 0.41 -0.10 0.00 0.00 175.22 172.72 1aj2 n GLY 189 N 3.75 0.89 3.17 4.36 0.00 -1.26 -4.91 105.19 111.20 1aj2 n GLY 189 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1aj2 n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj2 s PHE 190 N -3.58 3.49 -0.37 1.61 0.40 -0.73 -4.50 117.98 114.31 1aj2 s PHE 190 Ca 0.00 -2.16 -0.00 0.00 -0.60 0.00 0.00 56.93 54.17 1aj2 s PHE 190 Cb 0.00 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.13 1aj2 s PHE 190 CO 0.00 -0.97 0.01 0.41 0.70 0.00 0.00 175.22 175.37 1aj2 n GLY 191 N 4.55 0.21 3.22 4.36 0.00 -1.25 -2.99 105.19 113.29 1aj2 n GLY 191 Ca -0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 1aj2 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aj2 s LYS 192 N -4.26 0.97 0.54 1.61 3.01 -1.26 -4.27 119.74 116.07 1aj2 s LYS 192 Ca 0.01 -1.21 0.06 0.00 -1.01 0.00 0.00 55.97 53.81 1aj2 s LYS 192 Cb -0.00 -0.79 0.06 0.00 -1.01 0.00 0.00 37.83 36.08 1aj2 s LYS 192 CO 0.01 0.15 0.47 0.27 0.51 0.00 0.00 175.35 176.75 1aj2 n ASN 193 N 0.55 2.59 0.02 2.83 0.23 -1.26 -4.80 115.26 115.42 1aj2 n ASN 193 Ca -0.16 -2.78 -0.12 0.00 -0.53 0.00 0.00 54.58 50.99 1aj2 n ASN 193 Cb 0.57 -0.11 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 1aj2 n ASN 193 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1aj2 h LEU 194 N 0.00 -1.17 -0.66 -4.53 5.85 -1.96 -0.89 115.31 111.95 1aj2 h LEU 194 Ca -0.33 0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1aj2 h LEU 194 Cb 1.24 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 1aj2 h LEU 194 CO 0.50 -0.41 0.37 0.28 -0.34 0.00 0.00 178.44 178.85 1aj2 h SER 195 N -0.48 0.56 -0.78 1.25 0.02 -1.99 -1.64 113.55 110.49 1aj2 h SER 195 Ca 0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1aj2 h SER 195 Cb 0.60 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1aj2 h SER 195 CO -0.35 0.37 0.40 0.45 -1.14 0.00 0.00 176.83 176.55 1aj2 h HIS 196 N 0.69 1.10 -0.29 3.45 3.86 -1.77 -0.28 115.15 121.91 1aj2 h HIS 196 Ca 0.29 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 1aj2 h HIS 196 Cb 0.16 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1aj2 h HIS 196 CO -0.07 0.78 0.06 -0.91 0.86 0.00 0.00 177.93 178.65 1aj2 h ASN 197 N 1.09 0.45 0.84 2.45 2.35 -0.58 -1.62 115.58 120.57 1aj2 h ASN 197 Ca 0.27 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1aj2 h ASN 197 Cb 0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1aj2 h ASN 197 CO -0.04 0.59 -0.37 1.88 -1.65 0.00 0.00 177.43 177.83 1aj2 h TYR 198 N 0.30 0.00 -0.17 1.19 0.05 -0.82 -0.42 116.97 117.10 1aj2 h TYR 198 Ca 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1aj2 h TYR 198 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1aj2 h TYR 198 CO 0.02 0.37 -0.02 0.77 -1.05 0.00 0.00 178.16 178.25 1aj2 h SER 199 N 0.00 0.32 -0.77 3.88 0.02 -0.91 0.26 113.55 116.35 1aj2 h SER 199 Ca -0.00 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1aj2 h SER 199 Cb 0.89 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 1aj2 h SER 199 CO 0.05 0.59 0.47 -0.07 -1.14 0.00 0.00 176.83 176.72 1aj2 h LEU 200 N 0.04 0.93 0.20 5.07 4.07 -1.08 -2.39 115.31 122.15 1aj2 h LEU 200 Ca 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1aj2 h LEU 200 Cb 0.44 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1aj2 h LEU 200 CO 0.01 0.72 -0.09 0.25 -1.08 0.00 0.00 178.44 178.25 1aj2 h LEU 201 N 1.05 -0.22 -1.16 1.67 5.85 -0.99 -2.76 115.31 118.75 1aj2 h LEU 201 Ca 0.28 -0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.06 1aj2 h LEU 201 Cb -0.04 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.95 1aj2 h LEU 201 CO -0.05 0.02 0.62 0.00 -0.34 0.00 0.00 178.44 178.68 1aj2 h ALA 202 N 0.29 1.87 -0.58 1.25 0.00 -0.11 -1.10 119.26 120.87 1aj2 h ALA 202 Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1aj2 h ALA 202 Cb 0.35 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1aj2 h ALA 202 CO 0.04 -0.23 0.14 0.54 0.00 0.00 0.00 179.25 179.75 1aj2 n ARG 203 N -4.69 3.61 0.22 0.00 1.74 -0.93 -4.67 116.66 111.93 1aj2 n ARG 203 Ca 0.23 -3.07 0.07 0.00 -0.77 0.00 0.00 57.85 54.31 1aj2 n ARG 203 Cb 0.64 -2.12 0.59 0.00 -1.02 0.00 0.00 32.46 30.55 1aj2 n ARG 203 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1aj2 h LEU 204 N 2.58 0.05 -1.75 0.55 5.85 -0.89 -2.47 115.31 119.23 1aj2 h LEU 204 Ca 0.16 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.02 1aj2 h LEU 204 Cb 2.04 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 1aj2 h LEU 204 CO 0.57 0.07 0.44 0.00 -0.34 0.00 0.00 178.44 179.18 1aj2 h ALA 205 N 1.93 2.24 0.00 1.25 0.00 -1.83 -2.43 119.26 120.42 1aj2 h ALA 205 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aj2 h ALA 205 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1aj2 h ALA 205 CO 0.00 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.23 1aj2 n GLU 206 N -4.44 0.12 -0.00 0.00 1.02 -0.93 -2.90 120.64 113.51 1aj2 n GLU 206 Ca 0.12 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.62 1aj2 n GLU 206 Cb 0.52 -1.67 0.79 0.00 -0.02 0.00 0.00 31.44 31.06 1aj2 n GLU 206 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1aj2 n PHE 207 N -1.88 0.00 1.16 -0.32 3.72 -0.91 -3.37 117.46 115.86 1aj2 n PHE 207 Ca 0.04 -0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.55 1aj2 n PHE 207 Cb 0.29 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.41 1aj2 n PHE 207 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1aj2 n HIS 208 N -0.87 0.00 0.53 1.38 8.25 -1.14 -3.28 115.22 120.09 1aj2 n HIS 208 Ca 0.20 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.79 1aj2 n HIS 208 Cb 0.10 -0.16 0.45 0.00 1.12 0.00 0.00 29.99 31.50 1aj2 n HIS 208 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1aj2 n HIS 209 N -1.16 0.84 0.57 4.41 1.44 -1.22 -2.47 115.22 117.63 1aj2 n HIS 209 Ca 0.13 0.28 0.13 0.00 -2.01 0.00 0.00 57.72 56.25 1aj2 n HIS 209 Cb 0.13 -0.96 0.44 0.00 0.12 0.00 0.00 29.99 29.72 1aj2 n HIS 209 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1aj2 n PHE 210 N -2.22 0.83 -4.24 -1.40 3.72 -1.20 -4.95 117.46 108.00 1aj2 n PHE 210 Ca 0.04 0.27 -0.37 0.00 -0.05 0.00 0.00 57.45 57.34 1aj2 n PHE 210 Cb 0.33 -0.94 -0.03 0.00 -0.94 0.00 0.00 39.48 37.91 1aj2 n PHE 210 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1aj2 n ASN 211 N -2.21 -3.23 -4.63 4.37 4.13 -1.03 -5.01 115.26 107.65 1aj2 n ASN 211 Ca 0.05 -1.02 -0.23 0.00 1.68 0.00 0.00 54.58 55.05 1aj2 n ASN 211 Cb 0.36 -2.70 -0.07 0.00 -1.54 0.00 0.00 39.78 35.82 1aj2 n ASN 211 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1aj2 s LEU 212 N -7.27 3.15 0.46 3.41 1.43 -1.26 -5.09 118.68 113.50 1aj2 s LEU 212 Ca 0.74 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 1aj2 s LEU 212 Cb -0.41 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 1aj2 s LEU 212 CO 0.93 0.01 1.36 -2.84 0.23 0.00 0.00 176.35 176.05 1aj2 s PRO 213 N -3.61 3.65 -0.23 1.29 0.02 -1.26 -4.87 135.00 129.99 1aj2 s PRO 213 Ca 0.31 2.27 -0.08 0.00 0.02 0.00 0.00 61.00 63.52 1aj2 s PRO 213 Cb -0.06 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 1aj2 s PRO 213 CO 0.19 -0.79 0.08 -0.51 -0.33 0.00 0.00 177.00 175.64 1aj2 s LEU 214 N -2.83 3.64 -0.12 -5.54 1.43 -1.26 -0.89 118.68 113.12 1aj2 s LEU 214 Ca 0.62 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1aj2 s LEU 214 Cb -0.41 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1aj2 s LEU 214 CO 0.51 0.04 -0.00 -0.22 0.23 0.00 0.00 176.35 176.91 1aj2 s LEU 215 N 1.17 3.50 -0.04 1.79 0.20 0.09 -1.10 118.68 124.29 1aj2 s LEU 215 Ca 0.05 0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.95 1aj2 s LEU 215 Cb -0.14 -1.82 0.01 0.00 -0.43 0.00 0.00 46.19 43.80 1aj2 s LEU 215 CO 0.04 0.30 -0.11 0.54 -0.29 0.00 0.00 176.35 176.83 1aj2 s VAL 216 N -0.39 0.96 -0.32 1.68 0.11 -0.23 -4.29 120.40 117.91 1aj2 s VAL 216 Ca 0.07 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1aj2 s VAL 216 Cb -0.12 -0.86 0.10 0.00 -1.53 0.00 0.00 36.38 33.97 1aj2 s VAL 216 CO 0.02 0.30 0.06 -0.83 -3.33 0.00 0.00 175.10 171.31 1aj2 s GLY 217 N 0.33 1.66 0.00 6.54 0.00 -1.26 -1.00 107.32 113.58 1aj2 s GLY 217 Ca -0.07 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.44 1aj2 s GLY 217 CO 0.01 1.12 0.34 1.03 0.00 0.00 0.00 173.10 175.61 1aj2 n MET 218 N 4.44 -0.13 -1.68 2.90 2.81 -1.26 -4.33 117.12 119.88 1aj2 n MET 218 Ca 0.01 -0.34 -0.50 0.00 -1.81 0.00 0.00 57.70 55.06 1aj2 n MET 218 Cb 0.42 -0.83 -0.05 0.00 -0.71 0.00 0.00 33.22 32.05 1aj2 n MET 218 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1aj2 n SER 219 N -0.08 3.13 -1.80 7.83 2.88 -1.26 -3.07 113.62 121.25 1aj2 n SER 219 Ca 0.00 1.01 -0.13 0.00 -1.33 0.00 0.00 58.87 58.42 1aj2 n SER 219 Cb 0.05 -1.33 -0.04 0.00 -0.75 0.00 0.00 64.21 62.14 1aj2 n SER 219 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1aj2 n ARG 220 N 5.73 -1.64 -1.83 -1.46 1.74 -1.26 -4.95 116.66 112.98 1aj2 n ARG 220 Ca 0.22 0.71 -0.29 0.00 -0.77 0.00 0.00 57.85 57.72 1aj2 n ARG 220 Cb 0.26 -5.10 0.10 0.00 -1.02 0.00 0.00 32.46 26.71 1aj2 n ARG 220 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1aj2 s LYS 221 N -3.87 1.74 0.60 5.56 1.02 -1.17 -4.86 119.74 118.76 1aj2 s LYS 221 Ca 0.00 0.12 0.38 0.00 0.02 0.00 0.00 55.97 56.48 1aj2 s LYS 221 Cb 0.00 -1.92 1.80 0.00 -0.52 0.00 0.00 37.83 37.18 1aj2 s LYS 221 CO 0.00 -1.75 2.15 0.77 -0.92 0.00 0.00 175.35 175.59 1aj2 h SER 222 N -1.17 0.00 0.48 2.83 0.02 -1.92 -0.51 113.55 113.28 1aj2 h SER 222 Ca -0.47 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 1aj2 h SER 222 Cb 1.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 1aj2 h SER 222 CO 0.64 0.01 -0.20 0.00 -1.14 0.00 0.00 176.83 176.14 1aj2 h MET 223 N 0.00 0.00 0.00 3.45 -0.00 -1.93 -0.26 114.93 116.19 1aj2 h MET 223 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.47 1aj2 h MET 223 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.87 1aj2 h MET 223 CO 0.00 0.20 -1.30 -0.89 -0.00 0.00 0.00 176.91 174.92 1aj2 n ILE 224 N -3.69 1.52 -0.09 -0.10 5.41 -0.29 -3.94 119.36 118.19 1aj2 n ILE 224 Ca -0.01 -0.03 -0.09 0.00 1.00 0.00 0.00 62.75 63.62 1aj2 n ILE 224 Cb 0.32 -2.06 -0.03 0.00 -0.71 0.00 0.00 39.64 37.16 1aj2 n ILE 224 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1aj2 h GLY 225 N -1.00 -0.36 1.14 7.39 0.00 -1.24 0.47 103.07 109.47 1aj2 h GLY 225 Ca -0.35 0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1aj2 h GLY 225 CO -0.21 -0.21 -0.08 1.46 0.00 0.00 0.00 176.54 177.50 1aj2 h GLN 226 N -0.31 1.01 0.14 4.80 4.20 -1.28 1.22 115.11 124.89 1aj2 h GLN 226 Ca 0.15 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1aj2 h GLN 226 Cb 0.55 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1aj2 h GLN 226 CO -0.49 1.04 -0.07 1.25 -0.67 0.00 0.00 178.83 179.89 1aj2 h LEU 227 N 0.91 -0.16 0.00 1.46 6.46 -1.62 -3.25 115.31 119.11 1aj2 h LEU 227 Ca 0.15 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1aj2 h LEU 227 Cb 0.64 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1aj2 h LEU 227 CO 0.04 -0.10 -1.02 0.18 -0.62 0.00 0.00 178.44 176.93 1aj2 n LEU 228 N -5.16 0.69 -2.55 2.25 4.77 0.13 -4.98 117.00 112.14 1aj2 n LEU 228 Ca -0.08 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1aj2 n LEU 228 Cb 0.11 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1aj2 n LEU 228 CO 0.34 -0.09 0.14 0.59 -1.33 0.00 0.00 177.39 177.05 1aj2 n ASN 229 N -2.35 -4.21 -4.77 -1.43 3.02 0.42 -5.04 115.26 100.90 1aj2 n ASN 229 Ca 0.01 -0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 53.94 1aj2 n ASN 229 Cb 0.50 -3.50 -0.06 0.00 -0.61 0.00 0.00 39.78 36.11 1aj2 n ASN 229 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1aj2 s VAL 230 N -3.22 2.19 0.59 2.41 -7.23 -1.08 -5.02 120.40 109.05 1aj2 s VAL 230 Ca 0.29 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1aj2 s VAL 230 Cb -0.13 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 33.98 1aj2 s VAL 230 CO 0.48 0.00 0.88 -0.83 -0.31 0.00 0.00 175.10 175.32 1aj2 s GLY 231 N -3.97 1.63 0.54 2.32 0.00 -1.26 -4.68 107.32 101.89 1aj2 s GLY 231 Ca 0.39 -0.81 0.15 0.00 0.00 0.00 0.00 44.72 44.45 1aj2 s GLY 231 CO 0.22 -0.52 1.41 -2.55 0.00 0.00 0.00 173.10 171.65 1aj2 h PRO 232 N -0.16 0.00 0.00 2.90 0.11 -2.00 0.11 132.00 132.96 1aj2 h PRO 232 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1aj2 h PRO 232 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1aj2 h PRO 232 CO 0.60 0.00 -1.46 -1.13 -0.21 0.00 0.00 178.00 175.80 1aj2 n SER 233 N -2.45 0.79 -1.74 -2.05 3.41 -1.26 -4.34 113.62 105.98 1aj2 n SER 233 Ca -0.01 0.34 0.07 0.00 -0.26 0.00 0.00 58.87 59.01 1aj2 n SER 233 Cb 0.55 0.28 0.37 0.00 -0.26 0.00 0.00 64.21 65.15 1aj2 n SER 233 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aj2 n GLU 234 N -2.85 4.40 -0.39 4.33 1.02 0.38 -4.61 120.64 122.92 1aj2 n GLU 234 Ca -0.10 -2.88 0.09 0.00 -0.02 0.00 0.00 57.16 54.25 1aj2 n GLU 234 Cb 0.83 -2.14 0.29 0.00 -0.02 0.00 0.00 31.44 30.39 1aj2 n GLU 234 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1aj2 n ARG 235 N 0.69 3.03 0.08 3.49 1.74 -1.24 -4.71 116.66 119.74 1aj2 n ARG 235 Ca 0.26 -2.58 -0.13 0.00 -0.77 0.00 0.00 57.85 54.63 1aj2 n ARG 235 Cb 1.07 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.84 1aj2 n ARG 235 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1aj2 h LEU 236 N 3.54 -0.14 -1.02 0.55 5.85 -1.92 0.39 115.31 122.56 1aj2 h LEU 236 Ca 0.00 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1aj2 h LEU 236 Cb 1.06 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1aj2 h LEU 236 CO 0.07 0.05 0.65 0.28 -0.34 0.00 0.00 178.44 179.14 1aj2 h SER 237 N -0.32 1.04 0.25 1.25 0.02 -1.98 0.96 113.55 114.76 1aj2 h SER 237 Ca -0.02 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 1aj2 h SER 237 Cb 0.26 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1aj2 h SER 237 CO 0.03 0.67 -0.83 1.23 -1.14 0.00 0.00 176.83 176.79 1aj2 h GLY 238 N 1.18 0.50 1.63 -3.77 0.00 -1.88 -2.59 103.07 98.15 1aj2 h GLY 238 Ca 0.42 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1aj2 h GLY 238 CO -0.16 0.69 -0.26 1.76 0.00 0.00 0.00 176.54 178.57 1aj2 h SER 239 N 0.28 0.43 -0.27 0.19 0.02 -0.02 -2.57 113.55 111.61 1aj2 h SER 239 Ca -0.06 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.62 1aj2 h SER 239 Cb 1.44 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1aj2 h SER 239 CO 0.15 0.69 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.12 1aj2 h LEU 240 N 0.38 0.77 -1.02 5.07 3.38 -0.83 -2.69 115.31 120.37 1aj2 h LEU 240 Ca 0.06 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1aj2 h LEU 240 Cb 0.66 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1aj2 h LEU 240 CO 0.05 1.11 0.66 0.00 0.09 0.00 0.00 178.44 180.34 1aj2 h ALA 241 N 0.68 1.36 -0.12 1.53 0.00 -1.40 -0.78 119.26 120.52 1aj2 h ALA 241 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1aj2 h ALA 241 Cb 0.91 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1aj2 h ALA 241 CO 0.08 0.54 -0.31 0.00 0.00 0.00 0.00 179.25 179.55 1aj2 h ALA 243 N 1.47 0.17 -0.00 0.00 0.00 -1.03 -2.23 119.26 117.64 1aj2 h ALA 243 Ca 0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1aj2 h ALA 243 Cb 0.66 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1aj2 h ALA 243 CO 0.05 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.78 1aj2 h VAL 244 N -0.08 1.06 -0.28 0.00 2.07 -1.11 -0.66 116.25 117.25 1aj2 h VAL 244 Ca -0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1aj2 h VAL 244 Cb 0.93 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 1aj2 h VAL 244 CO 0.06 0.05 -0.40 0.40 0.02 0.00 0.00 177.57 177.70 1aj2 h ILE 245 N -0.07 0.15 -0.33 4.57 2.04 -1.54 0.61 117.51 122.94 1aj2 h ILE 245 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1aj2 h ILE 245 Cb 0.08 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1aj2 h ILE 245 CO -0.00 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.35 1aj2 h ALA 246 N 0.36 0.41 0.00 1.87 0.00 -1.36 -2.68 119.26 117.85 1aj2 h ALA 246 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1aj2 h ALA 246 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1aj2 h ALA 246 CO -0.49 -0.15 -0.41 0.00 0.00 0.00 0.00 179.25 178.20 1aj2 h ALA 247 N 1.13 0.88 -0.43 0.00 0.00 -0.82 -2.77 119.26 117.26 1aj2 h ALA 247 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1aj2 h ALA 247 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1aj2 h ALA 247 CO -0.04 0.51 0.24 0.52 0.00 0.00 0.00 179.25 180.47 1aj2 h MET 248 N 0.00 0.59 -0.65 0.00 2.07 -0.71 -0.67 114.93 115.56 1aj2 h MET 248 Ca -0.00 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1aj2 h MET 248 Cb 1.05 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.66 1aj2 h MET 248 CO 0.05 0.43 0.00 1.04 1.07 0.00 0.00 176.91 179.51 1aj2 n GLN 249 N -4.43 2.73 -0.84 1.72 6.02 -1.03 -0.78 117.38 120.77 1aj2 n GLN 249 Ca 0.03 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 1aj2 n GLN 249 Cb 0.10 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1aj2 n GLN 249 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aj2 n GLY 250 N 0.62 0.58 3.70 1.08 0.00 -0.26 -4.44 105.19 106.46 1aj2 n GLY 250 Ca 0.15 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1aj2 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj2 n ALA 251 N 0.52 1.22 -0.02 4.61 0.00 -1.12 -4.85 120.51 120.87 1aj2 n ALA 251 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 1aj2 n ALA 251 Cb 0.00 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.04 1aj2 n ALA 251 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aj2 n HIS 252 N -0.59 0.97 -4.32 0.00 8.25 -0.26 -4.62 115.22 114.63 1aj2 n HIS 252 Ca 0.08 0.25 -0.20 0.00 -0.26 0.00 0.00 57.72 57.60 1aj2 n HIS 252 Cb 0.42 -1.14 -0.16 0.00 1.12 0.00 0.00 29.99 30.23 1aj2 n HIS 252 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1aj2 s ILE 253 N -2.56 0.70 -0.24 1.59 1.01 -0.99 -1.28 121.20 119.42 1aj2 s ILE 253 Ca -0.17 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1aj2 s ILE 253 Cb 0.07 -0.64 0.04 0.00 0.01 0.00 0.00 42.46 41.95 1aj2 s ILE 253 CO 0.77 0.23 -0.12 -0.63 0.00 0.00 0.00 174.94 175.19 1aj2 s ILE 254 N 0.31 2.28 -0.53 2.92 -1.09 -0.64 -1.07 121.20 123.38 1aj2 s ILE 254 Ca -0.05 -1.34 -0.24 0.00 -2.23 0.00 0.00 60.65 56.79 1aj2 s ILE 254 Cb -0.09 -2.21 0.04 0.00 -1.58 0.00 0.00 42.46 38.62 1aj2 s ILE 254 CO 0.00 0.16 0.93 -0.60 -1.23 0.00 0.00 174.94 174.20 1aj2 s ARG 255 N 1.19 3.37 0.28 2.79 3.52 -0.18 -1.63 118.95 128.30 1aj2 s ARG 255 Ca -0.03 -0.18 0.08 0.00 -0.13 0.00 0.00 55.73 55.46 1aj2 s ARG 255 Cb -0.17 -4.02 -0.06 0.00 -1.56 0.00 0.00 34.95 29.14 1aj2 s ARG 255 CO -0.07 -1.41 -0.09 0.14 -0.81 0.00 0.00 175.30 173.06 1aj2 s VAL 256 N 3.87 1.82 -0.12 7.11 -7.23 -0.11 -4.20 120.40 121.54 1aj2 s VAL 256 Ca 0.32 -2.17 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1aj2 s VAL 256 Cb -0.12 -2.41 -0.24 0.00 0.56 0.00 0.00 36.38 34.17 1aj2 s VAL 256 CO 0.21 -0.34 0.37 1.41 -0.31 0.00 0.00 175.10 176.45 1aj2 n HIS 257 N -0.59 0.84 -3.09 2.82 8.25 -1.26 -2.09 115.22 120.10 1aj2 n HIS 257 Ca -0.06 0.24 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 1aj2 n HIS 257 Cb 0.63 -1.13 -0.00 0.00 1.12 0.00 0.00 29.99 30.61 1aj2 n HIS 257 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1aj2 n ASP 258 N -3.18 6.07 -0.10 0.41 8.00 -1.26 -4.82 116.55 121.66 1aj2 n ASP 258 Ca -0.28 -3.37 -0.05 0.00 0.71 0.00 0.00 54.79 51.80 1aj2 n ASP 258 Cb 1.06 -1.23 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1aj2 n ASP 258 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1aj2 h VAL 259 N 3.44 0.70 -0.02 2.53 2.07 -1.96 -1.79 116.25 121.23 1aj2 h VAL 259 Ca 0.20 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.71 1aj2 h VAL 259 Cb 0.65 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1aj2 h VAL 259 CO 1.25 0.01 -0.07 0.50 0.02 0.00 0.00 177.57 179.28 1aj2 h LYS 260 N 0.06 -0.11 -0.19 1.57 3.64 -1.90 -0.12 116.57 119.53 1aj2 h LYS 260 Ca 0.17 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1aj2 h LYS 260 Cb 0.25 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1aj2 h LYS 260 CO -0.32 -0.08 -0.57 0.93 -2.27 0.00 0.00 179.45 177.15 1aj2 h GLU 261 N -0.12 0.72 -0.14 1.90 3.07 -1.91 -2.40 114.58 115.70 1aj2 h GLU 261 Ca 0.04 -0.52 0.01 0.00 -0.50 0.00 0.00 59.36 58.39 1aj2 h GLU 261 Cb 0.17 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1aj2 h GLU 261 CO -0.09 1.14 0.04 1.15 -1.40 0.00 0.00 179.01 179.85 1aj2 h THR 262 N 0.42 0.96 -0.68 1.13 2.02 -1.06 -1.60 112.91 114.11 1aj2 h THR 262 Ca -0.02 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1aj2 h THR 262 Cb 1.19 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 1aj2 h THR 262 CO 0.12 0.02 0.33 0.58 0.37 0.00 0.00 175.52 176.94 1aj2 h VAL 263 N 0.11 0.84 -0.78 3.16 2.07 -0.94 0.17 116.25 120.89 1aj2 h VAL 263 Ca 0.06 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1aj2 h VAL 263 Cb 0.04 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 1aj2 h VAL 263 CO -0.07 0.10 0.46 -0.08 0.02 0.00 0.00 177.57 178.01 1aj2 h GLU 264 N 0.57 0.81 -0.44 1.57 4.81 -1.15 -2.07 114.58 118.68 1aj2 h GLU 264 Ca 0.34 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1aj2 h GLU 264 Cb 0.35 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1aj2 h GLU 264 CO -0.27 0.53 0.08 0.00 -0.73 0.00 0.00 179.01 178.63 1aj2 h ALA 265 N 1.39 0.58 0.00 2.92 0.00 0.21 -3.06 119.26 121.31 1aj2 h ALA 265 Ca 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1aj2 h ALA 265 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1aj2 h ALA 265 CO -0.19 0.30 -0.01 0.52 0.00 0.00 0.00 179.25 179.87 1aj2 h MET 266 N 0.59 0.00 -0.14 0.00 2.86 -0.28 -1.80 114.93 116.16 1aj2 h MET 266 Ca 0.13 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 1aj2 h MET 266 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1aj2 h MET 266 CO 0.01 0.01 -0.71 -0.09 1.06 0.00 0.00 176.91 177.19 1aj2 h ARG 267 N 0.00 0.60 -0.18 1.72 9.65 -1.29 -0.44 114.38 124.43 1aj2 h ARG 267 Ca -0.00 -0.46 -0.19 0.00 -1.10 0.00 0.00 59.98 58.23 1aj2 h ARG 267 Cb 0.02 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1aj2 h ARG 267 CO 0.00 1.08 -0.64 0.28 2.80 0.00 0.00 179.97 183.49 1aj2 h VAL 268 N 0.42 1.31 -0.17 0.20 2.07 -1.39 -1.68 116.25 117.01 1aj2 h VAL 268 Ca -0.03 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1aj2 h VAL 268 Cb 1.30 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1aj2 h VAL 268 CO 0.13 0.59 0.06 0.58 0.02 0.00 0.00 177.57 178.96 1aj2 h VAL 269 N 0.49 1.18 -0.00 2.57 2.07 -1.34 -1.65 116.25 119.58 1aj2 h VAL 269 Ca -0.01 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1aj2 h VAL 269 Cb 1.23 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1aj2 h VAL 269 CO 0.13 0.17 -0.46 -0.33 0.02 0.00 0.00 177.57 177.10 1aj2 h GLU 270 N 0.11 -0.59 -0.77 1.57 3.07 -1.01 0.23 114.58 117.18 1aj2 h GLU 270 Ca 0.06 0.04 0.18 0.00 -0.50 0.00 0.00 59.36 59.14 1aj2 h GLU 270 Cb 0.21 0.13 -0.13 0.00 -0.84 0.00 0.00 28.75 28.13 1aj2 h GLU 270 CO -0.00 -0.39 0.06 0.00 -1.40 0.00 0.00 179.01 177.28 1aj2 h ALA 271 N -0.17 0.88 -0.00 3.43 0.00 -1.21 -0.28 119.26 121.91 1aj2 h ALA 271 Ca 0.04 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1aj2 h ALA 271 Cb 0.68 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1aj2 h ALA 271 CO -0.33 -0.42 -0.00 1.15 0.00 0.00 0.00 179.25 179.64 1aj2 h THR 272 N 0.14 1.44 -0.07 0.00 2.02 -0.30 -3.17 112.91 112.97 1aj2 h THR 272 Ca 0.43 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1aj2 h THR 272 Cb 0.78 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1aj2 h THR 272 CO -0.64 0.33 -0.38 -0.07 0.37 0.00 0.00 175.52 175.13 1aj2 h LEU 273 N -0.54 0.14 -1.57 2.58 3.38 -0.10 -1.42 115.31 117.79 1aj2 h LEU 273 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1aj2 h LEU 273 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1aj2 h LEU 273 CO 0.00 0.51 0.09 0.28 0.09 0.00 0.00 178.44 179.42 1aj2 h SER 274 N 0.12 0.34 0.69 -0.43 0.02 -1.13 -1.71 113.55 111.45 1aj2 h SER 274 Ca 0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1aj2 h SER 274 Cb 0.72 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1aj2 h SER 274 CO 0.05 0.32 -0.25 0.00 -1.14 0.00 0.00 176.83 175.82 1aj2 n ALA 275 N -2.49 2.95 -2.56 3.77 0.00 -0.59 -4.82 120.51 116.77 1aj2 n ALA 275 Ca 0.01 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1aj2 n ALA 275 Cb 0.14 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 1aj2 n ALA 275 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aj2 s LYS 276 N -2.94 3.60 0.14 0.00 2.47 -0.64 -4.98 119.74 117.38 1aj2 s LYS 276 Ca 0.14 0.07 -0.08 0.00 -1.56 0.00 0.00 55.97 54.54 1aj2 s LYS 276 Cb 0.18 -3.86 0.17 0.00 -1.46 0.00 0.00 37.83 32.87 1aj2 s LYS 276 CO 0.60 -0.91 0.87 0.39 0.16 0.00 0.00 175.35 176.47 1aj2 n GLU 277 N 6.38 -0.11 -0.65 4.03 4.71 -1.26 0.49 120.64 134.23 1aj2 n GLU 277 Ca 0.01 0.87 0.08 0.00 -0.01 0.00 0.00 57.16 58.11 1aj2 n GLU 277 Cb 0.48 -1.29 0.33 0.00 -1.01 0.00 0.00 31.44 29.96 1aj2 n GLU 277 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1aj2 n ASN 278 N -4.85 4.76 -2.64 1.62 6.94 -1.26 -4.96 115.26 114.86 1aj2 n ASN 278 Ca 0.07 -2.85 -0.11 0.00 -0.02 0.00 0.00 54.58 51.67 1aj2 n ASN 278 Cb 0.24 -0.59 -0.01 0.00 -2.36 0.00 0.00 39.78 37.06 1aj2 n ASN 278 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1aj2 n LYS 279 N 0.26 -2.61 -3.52 -3.83 4.01 0.18 -4.92 118.16 107.73 1aj2 n LYS 279 Ca 0.24 0.37 -0.16 0.00 -0.51 0.00 0.00 58.31 58.26 1aj2 n LYS 279 Cb 1.00 -4.96 -0.05 0.00 -0.51 0.00 0.00 35.03 30.51 1aj2 n LYS 279 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1aj2 s ARG 280 N -5.21 1.01 0.08 1.97 3.52 -1.26 -4.83 118.95 114.21 1aj2 s ARG 280 Ca 0.08 0.13 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1aj2 s ARG 280 Cb -0.04 0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1aj2 s ARG 280 CO 0.09 -0.34 -0.06 0.71 -0.81 0.00 0.00 175.30 174.90 1aj2 s TYR 281 N -1.58 2.85 0.00 5.12 1.51 0.04 -5.00 117.35 120.28 1aj2 s TYR 281 Ca -0.07 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1aj2 s TYR 281 Cb -0.00 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 1aj2 s TYR 281 CO 0.05 0.43 0.00 0.39 -1.11 0.00 0.00 175.55 175.31