#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ae8 s TYR 3 N 0.00 2.37 0.07 1.39 1.51 -0.33 -4.99 117.35 117.37 2ae8 s TYR 3 Ca 0.00 -0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 55.17 2ae8 s TYR 3 Cb 0.00 -1.56 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 2ae8 s TYR 3 CO 0.00 -0.23 0.39 1.14 -1.11 0.00 0.00 175.55 175.74 2ae8 s GLN 4 N -0.10 0.94 0.20 -0.62 -2.07 -1.26 -0.33 119.66 116.43 2ae8 s GLN 4 Ca -0.05 -0.50 -0.23 0.00 -1.82 0.00 0.00 55.36 52.75 2ae8 s GLN 4 Cb -0.14 0.42 0.05 0.00 -1.09 0.00 0.00 33.01 32.24 2ae8 s GLN 4 CO 0.04 -0.33 0.87 -1.59 -1.32 0.00 0.00 175.29 172.96 2ae8 s LYS 5 N -2.92 1.42 0.10 9.60 -2.85 -0.71 -5.01 119.74 119.37 2ae8 s LYS 5 Ca -0.02 -0.79 0.09 0.00 -1.00 0.00 0.00 55.97 54.24 2ae8 s LYS 5 Cb 0.00 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2ae8 s LYS 5 CO -0.06 -0.65 -0.18 -0.65 0.10 0.00 0.00 175.35 173.91 2ae8 s GLN 6 N -3.52 1.85 -0.33 1.78 -0.21 -1.26 -1.72 119.66 116.25 2ae8 s GLN 6 Ca 0.12 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.37 2ae8 s GLN 6 Cb -0.03 -2.13 0.11 0.00 1.00 0.00 0.00 33.01 31.96 2ae8 s GLN 6 CO 0.04 0.50 0.12 0.50 -2.12 0.00 0.00 175.29 174.32 2ae8 s ARG 7 N -1.95 0.85 0.00 2.91 3.52 -0.02 -4.99 118.95 119.27 2ae8 s ARG 7 Ca 0.17 -1.28 0.06 0.00 -0.13 0.00 0.00 55.73 54.56 2ae8 s ARG 7 Cb -0.11 -2.12 -0.03 0.00 -1.56 0.00 0.00 34.95 31.14 2ae8 s ARG 7 CO 0.09 -1.01 -0.19 -0.80 -0.81 0.00 0.00 175.30 172.58 2ae8 s ASN 8 N 1.37 3.70 -0.18 -2.12 0.01 -1.26 -2.91 114.94 113.55 2ae8 s ASN 8 Ca 0.11 -0.37 -0.05 0.00 -0.71 0.00 0.00 52.86 51.85 2ae8 s ASN 8 Cb -0.19 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 40.83 2ae8 s ASN 8 CO -0.20 0.30 -0.01 -1.10 -1.51 0.00 0.00 177.10 174.58 2ae8 s GLN 13 N -1.04 3.66 -0.05 -0.60 1.11 0.75 -5.25 119.66 118.24 2ae8 s GLN 13 Ca 0.13 -0.51 0.01 0.00 0.01 0.00 0.00 55.36 55.00 2ae8 s GLN 13 Cb -0.10 -3.03 0.02 0.00 -1.01 0.00 0.00 33.01 28.88 2ae8 s GLN 13 CO 0.02 0.11 -0.06 -1.17 0.01 0.00 0.00 175.29 174.20 2ae8 s LEU 14 N 0.74 1.36 -0.03 2.90 0.20 -1.14 -0.31 118.68 122.39 2ae8 s LEU 14 Ca -0.00 -0.17 -0.01 0.00 0.69 0.00 0.00 54.13 54.64 2ae8 s LEU 14 Cb -0.14 -0.54 0.03 0.00 -0.43 0.00 0.00 46.19 45.11 2ae8 s LEU 14 CO 0.02 -0.04 0.06 0.21 -0.29 0.00 0.00 176.35 176.30 2ae8 s ASN 15 N 0.94 0.47 -0.00 3.68 2.47 -0.28 -0.84 114.94 121.37 2ae8 s ASN 15 Ca -0.11 0.09 -0.00 0.00 0.42 0.00 0.00 52.86 53.26 2ae8 s ASN 15 Cb -0.14 -0.05 -0.00 0.00 -1.45 0.00 0.00 41.25 39.60 2ae8 s ASN 15 CO 0.00 -0.18 0.01 -0.63 -3.72 0.00 0.00 177.10 172.58 2ae8 s ILE 16 N 1.54 0.01 0.08 -5.21 1.01 -0.70 -0.40 121.20 117.53 2ae8 s ILE 16 Ca -0.03 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2ae8 s ILE 16 Cb -0.12 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 2ae8 s ILE 16 CO -0.03 -0.04 -0.13 -0.94 0.00 0.00 0.00 174.94 173.80 2ae8 s SER 17 N -0.10 1.61 0.02 3.58 1.04 -0.19 -1.74 113.70 117.92 2ae8 s SER 17 Ca -0.01 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2ae8 s SER 17 Cb -0.01 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 2ae8 s SER 17 CO -0.00 -0.11 -0.06 -0.51 0.98 0.00 0.00 173.24 173.53 2ae8 s ILE 18 N -1.48 0.44 -0.10 -1.02 2.07 0.56 -1.56 121.20 120.11 2ae8 s ILE 18 Ca -0.01 -0.72 -0.20 0.00 -1.41 0.00 0.00 60.65 58.30 2ae8 s ILE 18 Cb -0.09 -0.47 0.05 0.00 0.13 0.00 0.00 42.46 42.08 2ae8 s ILE 18 CO 0.02 -0.20 0.49 -0.55 -1.91 0.00 0.00 174.94 172.79 2ae8 s SER 19 N -1.00 -0.45 -0.59 4.50 0.15 -0.75 -1.19 113.70 114.37 2ae8 s SER 19 Ca -0.06 0.64 -0.03 0.00 0.70 0.00 0.00 55.95 57.20 2ae8 s SER 19 Cb -0.07 0.67 0.18 0.00 -1.71 0.00 0.00 66.02 65.10 2ae8 s SER 19 CO 0.00 -0.38 2.45 -0.67 1.20 0.00 0.00 173.24 175.84 2ae8 n ASP 20 N 1.82 6.88 -1.62 5.45 2.03 -1.26 -0.53 116.55 129.31 2ae8 n ASP 20 Ca -0.18 -3.44 0.00 0.00 0.52 0.00 0.00 54.79 51.70 2ae8 n ASP 20 Cb 0.56 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2ae8 n ASP 20 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ae8 n ASP 21 N 0.29 1.69 -1.69 1.67 5.68 -1.26 -5.02 116.55 117.92 2ae8 n ASP 21 Ca 0.50 -0.81 -0.16 0.00 -0.50 0.00 0.00 54.79 53.82 2ae8 n ASP 21 Cb 0.45 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.59 2ae8 n ASP 21 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2ae8 n GLN 22 N -0.12 2.26 -2.10 0.11 0.00 -1.26 -4.33 117.38 111.94 2ae8 n GLN 22 Ca 0.00 -3.29 -0.34 0.00 -0.00 0.00 0.00 57.00 53.38 2ae8 n GLN 22 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 30.24 28.23 2ae8 n GLN 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2ae8 s SER 23 N -2.29 5.65 0.69 1.69 1.04 -1.26 -5.01 113.70 114.22 2ae8 s SER 23 Ca 0.51 1.99 -0.15 0.00 0.48 0.00 0.00 55.95 58.78 2ae8 s SER 23 Cb 0.44 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 64.02 2ae8 s SER 23 CO 0.03 -1.26 1.17 -2.16 0.98 0.00 0.00 173.24 172.00 2ae8 s PRO 24 N -3.73 2.44 -0.10 4.02 0.04 -1.26 -4.67 135.00 131.74 2ae8 s PRO 24 Ca 0.68 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2ae8 s PRO 24 Cb -0.20 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2ae8 s PRO 24 CO 0.33 -1.58 -0.02 -1.12 0.04 0.00 0.00 177.00 174.65 2ae8 s SER 25 N -2.17 5.07 -0.22 6.66 0.01 -1.26 -4.74 113.70 117.05 2ae8 s SER 25 Ca 0.72 0.06 0.01 0.00 1.31 0.00 0.00 55.95 58.06 2ae8 s SER 25 Cb -0.26 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.53 2ae8 s SER 25 CO 0.43 0.33 -0.11 -2.28 0.41 0.00 0.00 173.24 172.02 2ae8 s HIS 26 N -0.60 2.70 -0.26 2.43 5.04 -0.87 -4.99 115.29 118.73 2ae8 s HIS 26 Ca 0.10 -1.84 0.01 0.00 -1.54 0.00 0.00 55.06 51.79 2ae8 s HIS 26 Cb -0.12 -1.74 0.05 0.00 0.04 0.00 0.00 32.58 30.81 2ae8 s HIS 26 CO 0.02 -0.79 -0.09 0.42 -2.34 0.00 0.00 174.74 171.96 2ae8 s ILE 27 N 1.30 2.39 -0.51 0.89 1.01 -1.26 -0.23 121.20 124.79 2ae8 s ILE 27 Ca -0.04 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.17 2ae8 s ILE 27 Cb -0.17 -2.36 0.16 0.00 0.01 0.00 0.00 42.46 40.10 2ae8 s ILE 27 CO -0.07 0.01 0.38 0.21 0.00 0.00 0.00 174.94 175.47 2ae8 s ASN 28 N 1.16 2.93 0.18 3.58 2.47 -0.61 -4.93 114.94 119.74 2ae8 s ASN 28 Ca -0.06 -3.25 0.22 0.00 0.42 0.00 0.00 52.86 50.18 2ae8 s ASN 28 Cb -0.19 -0.92 -0.02 0.00 -1.45 0.00 0.00 41.25 38.66 2ae8 s ASN 28 CO -0.05 -0.16 1.01 0.35 -3.72 0.00 0.00 177.10 174.54 2ae8 n THR 29 N 2.67 0.70 -0.66 -5.21 -2.24 -1.26 -1.46 114.28 106.82 2ae8 n THR 29 Ca 0.23 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2ae8 n THR 29 Cb 0.41 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2ae8 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ae8 n GLY 30 N 1.21 0.79 2.96 3.38 0.00 -1.26 -4.75 105.19 107.53 2ae8 n GLY 30 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2ae8 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ae8 s VAL 31 N -2.97 1.70 0.15 1.61 1.01 -1.26 -5.03 120.40 115.61 2ae8 s VAL 31 Ca 0.00 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 2ae8 s VAL 31 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2ae8 s VAL 31 CO 0.00 -0.15 1.71 1.23 0.00 0.00 0.00 175.10 177.89 2ae8 h GLY 32 N 7.89 0.33 1.22 4.51 0.00 -1.99 0.06 103.07 115.09 2ae8 h GLY 32 Ca -0.17 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 2ae8 h GLY 32 CO 0.43 -0.06 0.03 -2.75 0.00 0.00 0.00 176.54 174.19 2ae8 h PHE 33 N 0.11 1.01 -0.70 5.60 3.57 -1.95 -2.11 116.94 122.47 2ae8 h PHE 33 Ca 0.16 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2ae8 h PHE 33 Cb 0.20 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2ae8 h PHE 33 CO -0.22 0.89 0.17 1.25 -2.23 0.00 0.00 178.31 178.17 2ae8 h LEU 34 N 0.88 1.05 -0.41 0.59 5.85 -1.87 -2.74 115.31 118.66 2ae8 h LEU 34 Ca 0.17 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.75 2ae8 h LEU 34 Cb 0.47 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2ae8 h LEU 34 CO 0.02 1.00 -0.14 0.78 -0.34 0.00 0.00 178.44 179.77 2ae8 h ASN 35 N 1.05 -0.49 0.00 1.25 2.35 -0.35 0.11 115.58 119.50 2ae8 h ASN 35 Ca 0.22 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2ae8 h ASN 35 Cb 0.36 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2ae8 h ASN 35 CO 0.00 -0.17 0.00 1.41 -1.65 0.00 0.00 177.43 177.02 2ae8 n HIS 36 N -5.34 0.00 0.00 1.19 8.25 -0.92 -1.64 115.22 116.76 2ae8 n HIS 36 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2ae8 n HIS 36 Cb 0.25 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2ae8 n HIS 36 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ae8 n LEU 38 N 0.44 0.00 -0.16 2.41 4.77 0.38 -1.94 117.00 122.90 2ae8 n LEU 38 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2ae8 n LEU 38 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ae8 n LEU 38 CO 0.00 0.00 0.77 0.74 -1.33 0.00 0.00 177.39 177.57 2ae8 h THR 39 N 0.00 1.27 -0.49 -5.08 2.02 -1.54 -1.01 112.91 108.08 2ae8 h THR 39 Ca 0.00 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.08 2ae8 h THR 39 Cb 0.00 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2ae8 h THR 39 CO 0.00 0.39 0.29 -0.07 0.37 0.00 0.00 175.52 176.50 2ae8 h LEU 40 N 0.71 0.47 -0.49 2.58 3.38 -1.66 -2.27 115.31 118.02 2ae8 h LEU 40 Ca 0.13 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2ae8 h LEU 40 Cb 0.56 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2ae8 h LEU 40 CO 0.03 0.33 0.18 0.15 0.09 0.00 0.00 178.44 179.22 2ae8 h PHE 41 N 0.58 0.32 -0.41 1.13 3.57 -1.75 -0.63 116.94 119.74 2ae8 h PHE 41 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2ae8 h PHE 41 Cb 0.03 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2ae8 h PHE 41 CO -0.07 0.11 0.19 1.79 -2.23 0.00 0.00 178.31 178.10 2ae8 h THR 42 N 0.36 1.18 -0.30 4.41 1.35 -0.95 -0.37 112.91 118.60 2ae8 h THR 42 Ca 0.24 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.55 2ae8 h THR 42 Cb 0.24 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 2ae8 h THR 42 CO -0.24 0.20 0.11 0.15 -0.25 0.00 0.00 175.52 175.49 2ae8 h PHE 43 N 0.51 0.46 0.00 4.73 3.57 -1.04 -2.50 116.94 122.67 2ae8 h PHE 43 Ca 0.14 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 2ae8 h PHE 43 Cb 0.14 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2ae8 h PHE 43 CO -0.01 0.46 -0.80 0.45 -2.23 0.00 0.00 178.31 176.18 2ae8 h HIS 44 N 0.33 0.00 0.00 0.41 3.86 -1.03 -3.27 115.15 115.45 2ae8 h HIS 44 Ca 0.10 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2ae8 h HIS 44 Cb 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 2ae8 h HIS 44 CO -0.00 0.45 -0.59 0.66 0.86 0.00 0.00 177.93 179.30 2ae8 h SER 45 N 0.00 0.00 0.00 2.45 4.64 -1.12 -3.33 113.55 116.20 2ae8 h SER 45 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2ae8 h SER 45 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2ae8 h SER 45 CO 0.05 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2ae8 n GLY 46 N 1.16 1.19 3.87 -0.77 0.00 -0.95 -4.38 105.19 105.30 2ae8 n GLY 46 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2ae8 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ae8 s LEU 47 N 0.00 4.32 -0.17 0.99 1.43 -1.19 -4.47 118.68 119.58 2ae8 s LEU 47 Ca 0.00 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 2ae8 s LEU 47 Cb 0.00 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 2ae8 s LEU 47 CO 0.00 0.11 0.23 -0.44 0.23 0.00 0.00 176.35 176.48 2ae8 s SER 48 N -1.89 6.37 -0.06 2.29 0.01 0.31 -4.37 113.70 116.35 2ae8 s SER 48 Ca 0.37 0.42 0.06 0.00 1.31 0.00 0.00 55.95 58.11 2ae8 s SER 48 Cb -0.14 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 2ae8 s SER 48 CO 0.19 0.16 -0.25 -0.76 0.41 0.00 0.00 173.24 173.00 2ae8 s LEU 49 N 0.25 2.06 -0.10 2.44 1.43 -1.26 -1.81 118.68 121.69 2ae8 s LEU 49 Ca 0.14 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2ae8 s LEU 49 Cb -0.12 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.76 2ae8 s LEU 49 CO 0.02 0.24 -0.09 0.20 0.23 0.00 0.00 176.35 176.94 2ae8 s ASN 50 N -0.14 2.12 -0.07 2.29 0.01 -0.60 -2.06 114.94 116.50 2ae8 s ASN 50 Ca -0.04 -0.32 0.01 0.00 -0.71 0.00 0.00 52.86 51.80 2ae8 s ASN 50 Cb -0.14 -0.87 0.02 0.00 0.41 0.00 0.00 41.25 40.67 2ae8 s ASN 50 CO 0.04 -0.07 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.84 2ae8 s ILE 51 N 1.41 0.93 -0.24 0.60 1.01 0.68 -1.02 121.20 124.57 2ae8 s ILE 51 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2ae8 s ILE 51 Cb -0.13 -0.89 0.06 0.00 0.01 0.00 0.00 42.46 41.51 2ae8 s ILE 51 CO -0.05 0.32 -0.07 -1.61 0.00 0.00 0.00 174.94 173.52 2ae8 s GLU 52 N 0.91 1.79 -0.03 2.79 0.41 0.46 -1.57 118.70 123.46 2ae8 s GLU 52 Ca -0.11 -1.08 0.01 0.00 -0.41 0.00 0.00 54.97 53.38 2ae8 s GLU 52 Cb -0.15 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.51 2ae8 s GLU 52 CO 0.01 -0.59 -0.01 0.00 -0.49 0.00 0.00 175.26 174.18 2ae8 s ALA 53 N 1.32 3.24 -0.08 5.21 0.00 -0.53 -1.13 121.76 129.79 2ae8 s ALA 53 Ca -0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 2ae8 s ALA 53 Cb -0.19 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.59 2ae8 s ALA 53 CO -0.06 0.62 0.21 -0.65 0.00 0.00 0.00 175.76 175.88 2ae8 s GLN 54 N -1.29 0.24 0.00 0.00 -0.21 0.58 -4.81 119.66 114.17 2ae8 s GLN 54 Ca 0.17 0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.85 2ae8 s GLN 54 Cb -0.11 0.11 0.00 0.00 1.00 0.00 0.00 33.01 34.01 2ae8 s GLN 54 CO 0.07 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 2ae8 n GLY 55 N 3.01 0.16 2.12 3.09 0.00 -1.26 -0.18 105.19 112.13 2ae8 n GLY 55 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2ae8 n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ae8 n ASP 60 N 0.00 -2.25 0.17 1.61 2.03 -1.26 -5.09 116.55 111.76 2ae8 n ASP 60 Ca 0.00 0.66 0.05 0.00 0.52 0.00 0.00 54.79 56.02 2ae8 n ASP 60 Cb 0.00 2.21 0.50 0.00 -0.72 0.00 0.00 41.12 43.11 2ae8 n ASP 60 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ae8 h ASP 61 N 0.00 0.13 0.23 1.67 3.45 -1.99 -2.74 116.42 117.16 2ae8 h ASP 61 Ca 0.00 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 2ae8 h ASP 61 Cb 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 2ae8 h ASP 61 CO 0.00 0.21 -0.11 -0.74 -1.57 0.00 0.00 179.24 177.03 2ae8 h HIS 62 N 0.14 -0.28 -0.36 4.55 2.76 -2.00 -0.13 115.15 119.85 2ae8 h HIS 62 Ca 0.03 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2ae8 h HIS 62 Cb 0.18 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2ae8 h HIS 62 CO 0.00 -0.01 0.19 0.45 -1.30 0.00 0.00 177.93 177.26 2ae8 h HIS 63 N -0.53 0.49 -0.15 5.26 3.86 -1.99 -0.75 115.15 121.34 2ae8 h HIS 63 Ca -0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2ae8 h HIS 63 Cb 0.40 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2ae8 h HIS 63 CO 0.00 0.39 0.05 0.28 0.86 0.00 0.00 177.93 179.52 2ae8 h VAL 64 N 0.45 1.18 -0.04 2.45 2.07 -1.49 0.65 116.25 121.51 2ae8 h VAL 64 Ca 0.13 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2ae8 h VAL 64 Cb 0.07 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2ae8 h VAL 64 CO -0.02 0.17 0.03 0.74 0.02 0.00 0.00 177.57 178.50 2ae8 h THR 65 N 0.07 1.03 -0.38 2.57 2.02 -0.94 -1.97 112.91 115.30 2ae8 h THR 65 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2ae8 h THR 65 Cb 0.21 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2ae8 h THR 65 CO -0.00 0.03 0.25 -0.08 0.37 0.00 0.00 175.52 176.09 2ae8 h GLU 66 N 0.03 0.50 -0.57 6.66 4.81 -1.05 -1.68 114.58 123.29 2ae8 h GLU 66 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ae8 h GLU 66 Cb 0.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2ae8 h GLU 66 CO -0.00 0.33 0.37 -0.44 -0.73 0.00 0.00 179.01 178.54 2ae8 h ASP 67 N 0.52 0.66 -0.32 1.04 3.45 -0.76 -0.41 116.42 120.59 2ae8 h ASP 67 Ca 0.14 -0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.59 2ae8 h ASP 67 Cb -0.06 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 2ae8 h ASP 67 CO -0.03 0.49 0.18 0.40 -1.57 0.00 0.00 179.24 178.70 2ae8 h ILE 68 N 0.77 1.02 -0.88 0.35 2.04 -1.25 -1.74 117.51 117.81 2ae8 h ILE 68 Ca 0.21 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2ae8 h ILE 68 Cb -0.07 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2ae8 h ILE 68 CO -0.04 0.07 0.53 1.23 0.00 0.00 0.00 178.15 179.93 2ae8 h GLY 69 N 0.36 1.28 0.83 5.37 0.00 -0.82 0.18 103.07 110.28 2ae8 h GLY 69 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2ae8 h GLY 69 CO -0.07 0.52 -0.04 -2.22 0.00 0.00 0.00 176.54 174.72 2ae8 h ILE 70 N 1.21 1.02 -0.20 2.60 2.04 -0.91 0.59 117.51 123.87 2ae8 h ILE 70 Ca 0.32 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2ae8 h ILE 70 Cb -0.05 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2ae8 h ILE 70 CO -0.06 0.09 0.13 0.58 0.00 0.00 0.00 178.15 178.89 2ae8 h VAL 71 N -0.29 1.06 -0.59 1.67 2.07 -1.19 0.12 116.25 119.11 2ae8 h VAL 71 Ca -0.01 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2ae8 h VAL 71 Cb 0.24 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2ae8 h VAL 71 CO 0.02 0.06 0.24 0.40 0.02 0.00 0.00 177.57 178.31 2ae8 h ILE 72 N 0.26 0.82 -0.18 4.57 2.04 -0.94 0.23 117.51 124.30 2ae8 h ILE 72 Ca 0.07 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2ae8 h ILE 72 Cb -0.01 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2ae8 h ILE 72 CO -0.01 0.08 -0.05 1.23 0.00 0.00 0.00 178.15 179.40 2ae8 h GLY 73 N 0.44 0.12 1.18 5.37 0.00 0.04 0.43 103.07 110.65 2ae8 h GLY 73 Ca 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 2ae8 h GLY 73 CO -0.27 -0.07 0.23 1.46 0.00 0.00 0.00 176.54 177.89 2ae8 h GLN 74 N -0.01 1.03 -0.43 4.80 4.20 -0.37 -1.55 115.11 122.78 2ae8 h GLN 74 Ca 0.09 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 2ae8 h GLN 74 Cb 0.14 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2ae8 h GLN 74 CO -0.19 0.87 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.46 2ae8 h LEU 75 N 1.00 1.02 -1.04 1.46 3.38 -0.63 -2.05 115.31 118.44 2ae8 h LEU 75 Ca 0.22 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2ae8 h LEU 75 Cb 0.25 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2ae8 h LEU 75 CO -0.01 1.24 0.63 -0.07 0.09 0.00 0.00 178.44 180.32 2ae8 h LEU 76 N 0.81 0.95 -0.40 1.67 3.38 -0.61 -2.39 115.31 118.71 2ae8 h LEU 76 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2ae8 h LEU 76 Cb 0.90 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2ae8 h LEU 76 CO 0.08 0.55 0.15 0.25 0.09 0.00 0.00 178.44 179.57 2ae8 h LEU 77 N 1.04 0.56 -0.90 1.67 5.85 -0.85 0.34 115.31 123.02 2ae8 h LEU 77 Ca 0.46 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2ae8 h LEU 77 Cb 0.37 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ae8 h LEU 77 CO -0.22 0.59 0.00 -0.62 -0.34 0.00 0.00 178.44 177.85 2ae8 n GLU 78 N -4.63 0.00 0.00 1.25 1.02 -0.81 -1.09 120.64 116.38 2ae8 n GLU 78 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2ae8 n GLU 78 Cb 0.15 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2ae8 n GLU 78 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ae8 n ILE 80 N 0.28 0.00 0.18 -3.67 5.41 0.11 -2.21 119.36 119.46 2ae8 n ILE 80 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 2ae8 n ILE 80 Cb 0.00 0.00 0.53 0.00 -0.71 0.00 0.00 39.64 39.46 2ae8 n ILE 80 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2ae8 h LYS 81 N 0.00 0.13 0.00 0.38 1.57 -1.37 -2.09 116.57 115.19 2ae8 h LYS 81 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2ae8 h LYS 81 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2ae8 h LYS 81 CO 0.00 0.17 -0.50 -0.44 -0.57 0.00 0.00 179.45 178.11 2ae8 h ASP 82 N 0.13 0.00 -4.00 0.86 3.32 -1.71 -3.45 116.42 111.57 2ae8 h ASP 82 Ca 0.03 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.62 2ae8 h ASP 82 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2ae8 h ASP 82 CO 0.00 0.50 0.36 -0.54 -1.72 0.00 0.00 179.24 177.84 2ae8 s LYS 83 N -3.28 4.23 0.00 3.56 1.02 -0.79 -5.01 119.74 119.47 2ae8 s LYS 83 Ca 0.01 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.29 2ae8 s LYS 83 Cb 0.10 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2ae8 s LYS 83 CO 0.72 -0.04 0.00 1.63 -0.92 0.00 0.00 175.35 176.74 2ae8 n LYS 84 N -0.29 0.00 -3.60 1.68 4.01 -1.26 -4.95 118.16 113.75 2ae8 n LYS 84 Ca 0.06 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.46 2ae8 n LYS 84 Cb 0.52 -0.21 -0.11 0.00 -0.51 0.00 0.00 35.03 34.72 2ae8 n LYS 84 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2ae8 s HIS 85 N -0.44 3.21 0.21 2.13 3.76 -1.26 -5.05 115.29 117.85 2ae8 s HIS 85 Ca 0.00 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 2ae8 s HIS 85 Cb 0.00 -2.42 -0.05 0.00 1.11 0.00 0.00 32.58 31.22 2ae8 s HIS 85 CO 0.00 -0.48 -0.01 -0.59 -0.85 0.00 0.00 174.74 172.81 2ae8 s PHE 86 N 1.63 1.42 0.28 1.40 -0.12 -1.26 0.10 117.98 121.44 2ae8 s PHE 86 Ca 0.04 -0.95 -0.03 0.00 -0.05 0.00 0.00 56.93 55.95 2ae8 s PHE 86 Cb -0.18 -0.81 0.39 0.00 -0.63 0.00 0.00 43.02 41.79 2ae8 s PHE 86 CO 0.08 -0.09 1.93 0.28 -0.05 0.00 0.00 175.22 177.37 2ae8 h VAL 87 N 2.57 1.18 0.00 -2.49 2.07 -1.01 -3.45 116.25 115.12 2ae8 h VAL 87 Ca -0.38 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2ae8 h VAL 87 Cb 1.21 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2ae8 h VAL 87 CO 0.64 0.22 0.00 -1.14 0.02 0.00 0.00 177.57 177.31 2ae8 n ARG 88 N -4.43 0.00 -4.25 1.57 0.63 0.29 -4.91 116.66 105.56 2ae8 n ARG 88 Ca 0.12 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.71 2ae8 n ARG 88 Cb 0.08 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.88 2ae8 n ARG 88 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2ae8 s TYR 89 N -0.01 3.13 -0.03 -0.14 1.51 -1.26 -1.24 117.35 119.31 2ae8 s TYR 89 Ca 0.00 -0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 55.95 2ae8 s TYR 89 Cb 0.00 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2ae8 s TYR 89 CO 0.00 0.11 0.06 0.20 -1.11 0.00 0.00 175.55 174.81 2ae8 s GLY 90 N 0.18 -0.01 0.38 0.71 0.00 -0.20 -4.26 107.32 104.12 2ae8 s GLY 90 Ca 0.01 0.25 0.04 0.00 0.00 0.00 0.00 44.72 45.02 2ae8 s GLY 90 CO 0.02 0.37 0.13 -1.59 0.00 0.00 0.00 173.10 172.03 2ae8 s THR 91 N 0.41 0.60 -0.03 0.90 2.01 -1.26 -0.07 115.64 118.20 2ae8 s THR 91 Ca -0.03 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.96 2ae8 s THR 91 Cb -0.05 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.06 2ae8 s THR 91 CO -0.01 0.00 0.06 -0.31 -0.69 0.00 0.00 174.62 173.66 2ae8 s TYR 93 N -3.28 -0.04 -0.09 4.92 1.51 -1.26 -4.82 117.35 114.29 2ae8 s TYR 93 Ca 0.27 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.53 2ae8 s TYR 93 Cb 0.03 -0.11 0.02 0.00 -0.11 0.00 0.00 41.96 41.79 2ae8 s TYR 93 CO 0.16 -0.08 -0.09 0.42 -1.11 0.00 0.00 175.55 174.84 2ae8 s ILE 94 N 0.70 1.03 0.00 2.71 -1.09 0.00 -4.99 121.20 119.56 2ae8 s ILE 94 Ca -0.06 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 2ae8 s ILE 94 Cb -0.08 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.80 2ae8 s ILE 94 CO -0.02 0.35 0.00 -0.81 -1.23 0.00 0.00 174.94 173.23 2ae8 n PRO 95 N 4.44 0.83 0.00 2.79 -0.04 -1.26 -1.11 135.00 140.65 2ae8 n PRO 95 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2ae8 n PRO 95 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2ae8 n PRO 95 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ae8 n ASP 97 N -2.72 0.00 0.27 3.54 8.00 -1.26 -4.99 116.55 119.39 2ae8 n ASP 97 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 2ae8 n ASP 97 Cb 0.00 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 41.85 2ae8 n ASP 97 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2ae8 h GLU 98 N 0.00 0.00 -6.48 -1.24 9.09 -1.97 -3.44 114.58 110.54 2ae8 h GLU 98 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 2ae8 h GLU 98 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 2ae8 h GLU 98 CO 0.00 0.10 0.11 0.99 0.05 0.00 0.00 179.01 180.26 2ae8 s THR 99 N -4.09 4.52 -0.07 -1.06 2.01 -1.26 -4.38 115.64 111.31 2ae8 s THR 99 Ca -0.02 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.43 2ae8 s THR 99 Cb 0.12 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2ae8 s THR 99 CO 0.57 0.42 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.65 2ae8 s LEU 100 N -1.43 1.11 0.05 4.42 2.96 -0.63 -4.30 118.68 120.86 2ae8 s LEU 100 Ca 0.37 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.19 2ae8 s LEU 100 Cb -0.20 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 2ae8 s LEU 100 CO 0.23 -0.10 -0.24 0.00 -1.32 0.00 0.00 176.35 174.92 2ae8 s ALA 101 N 1.37 2.01 -0.07 5.97 0.00 -0.26 -0.40 121.76 130.38 2ae8 s ALA 101 Ca -0.03 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2ae8 s ALA 101 Cb -0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 2ae8 s ALA 101 CO -0.03 0.46 -0.23 0.50 0.00 0.00 0.00 175.76 176.46 2ae8 s ARG 102 N -1.30 2.64 -0.04 0.00 3.52 0.40 -0.82 118.95 123.35 2ae8 s ARG 102 Ca 0.10 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2ae8 s ARG 102 Cb -0.09 -2.13 -0.00 0.00 -1.56 0.00 0.00 34.95 31.16 2ae8 s ARG 102 CO 0.02 0.28 -0.16 0.08 -0.81 0.00 0.00 175.30 174.71 2ae8 s VAL 103 N 0.09 1.35 -0.16 7.11 1.01 -1.26 -0.73 120.40 127.81 2ae8 s VAL 103 Ca -0.10 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2ae8 s VAL 103 Cb -0.15 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2ae8 s VAL 103 CO 0.06 0.39 -0.19 -0.69 0.00 0.00 0.00 175.10 174.67 2ae8 s VAL 104 N 0.05 1.88 -0.03 2.92 1.01 -0.33 -4.30 120.40 121.60 2ae8 s VAL 104 Ca -0.04 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2ae8 s VAL 104 Cb -0.11 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2ae8 s VAL 104 CO 0.02 0.51 -0.24 0.68 0.00 0.00 0.00 175.10 176.07 2ae8 s VAL 105 N 1.20 1.94 -0.15 2.92 -7.23 0.90 -1.15 120.40 118.83 2ae8 s VAL 105 Ca 0.01 -1.04 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2ae8 s VAL 105 Cb -0.14 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.21 2ae8 s VAL 105 CO -0.09 0.55 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.54 2ae8 s ASP 106 N -0.45 2.69 -1.25 4.85 2.15 0.52 -1.04 116.67 124.15 2ae8 s ASP 106 Ca 0.06 -0.54 -0.19 0.00 0.43 0.00 0.00 52.55 52.30 2ae8 s ASP 106 Cb -0.11 -1.01 0.03 0.00 -0.30 0.00 0.00 42.92 41.54 2ae8 s ASP 106 CO 0.00 -0.13 1.77 -0.63 -0.17 0.00 0.00 175.17 176.01 2ae8 s ILE 107 N 1.58 3.97 -0.11 4.11 1.01 -0.38 -0.92 121.20 130.47 2ae8 s ILE 107 Ca 0.03 -1.61 0.20 0.00 0.00 0.00 0.00 60.65 59.27 2ae8 s ILE 107 Cb -0.14 -5.04 -0.27 0.00 0.01 0.00 0.00 42.46 37.02 2ae8 s ILE 107 CO -0.09 -1.78 0.42 -1.54 0.00 0.00 0.00 174.94 171.95 2ae8 n SER 108 N 9.80 0.15 0.00 3.58 3.41 -1.25 -4.95 113.62 124.36 2ae8 n SER 108 Ca 0.47 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2ae8 n SER 108 Cb 0.46 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 2ae8 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ae8 n GLY 109 N 1.43 0.88 3.19 5.00 0.00 -0.74 -5.01 105.19 109.93 2ae8 n GLY 109 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2ae8 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ae8 s ARG 110 N -0.06 2.33 -0.30 1.61 0.52 -1.24 -4.94 118.95 116.87 2ae8 s ARG 110 Ca 0.00 -1.72 -0.28 0.00 -0.52 0.00 0.00 55.73 53.21 2ae8 s ARG 110 Cb 0.00 -3.75 -0.02 0.00 0.52 0.00 0.00 34.95 31.69 2ae8 s ARG 110 CO 0.00 -1.09 1.80 -2.14 0.02 0.00 0.00 175.30 173.89 2ae8 s PRO 111 N 1.29 3.40 -0.22 3.54 0.02 -1.26 -3.39 135.00 138.38 2ae8 s PRO 111 Ca 0.06 1.52 -0.11 0.00 0.02 0.00 0.00 61.00 62.48 2ae8 s PRO 111 Cb -0.24 -4.19 0.08 0.00 0.02 0.00 0.00 34.50 30.17 2ae8 s PRO 111 CO -0.02 -1.78 0.52 -0.47 -0.33 0.00 0.00 177.00 174.92 2ae8 s TYR 112 N 6.70 -0.83 -0.15 6.54 6.14 -0.28 -4.96 117.35 130.51 2ae8 s TYR 112 Ca 0.80 1.66 0.02 0.00 0.64 0.00 0.00 57.07 60.19 2ae8 s TYR 112 Cb -0.24 0.43 0.01 0.00 0.42 0.00 0.00 41.96 42.58 2ae8 s TYR 112 CO 0.33 -0.45 -0.20 -1.17 0.64 0.00 0.00 175.55 174.71 2ae8 s LEU 113 N 1.76 2.19 -0.41 6.97 2.96 -1.26 -0.76 118.68 130.13 2ae8 s LEU 113 Ca -0.08 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.15 2ae8 s LEU 113 Cb -0.08 -1.48 0.07 0.00 0.50 0.00 0.00 46.19 45.20 2ae8 s LEU 113 CO -0.15 0.06 0.24 -0.55 -1.32 0.00 0.00 176.35 174.63 2ae8 s SER 114 N 0.92 5.61 -0.36 3.68 0.15 -0.35 -5.01 113.70 118.34 2ae8 s SER 114 Ca -0.04 -1.43 -0.08 0.00 0.70 0.00 0.00 55.95 55.10 2ae8 s SER 114 Cb -0.15 -1.98 0.04 0.00 -1.71 0.00 0.00 66.02 62.22 2ae8 s SER 114 CO -0.04 -0.50 0.16 0.12 1.20 0.00 0.00 173.24 174.18 2ae8 s PHE 115 N 1.43 3.26 -0.59 3.44 5.36 -1.26 -0.50 117.98 129.11 2ae8 s PHE 115 Ca 0.03 -1.27 0.04 0.00 -0.96 0.00 0.00 56.93 54.77 2ae8 s PHE 115 Cb -0.22 -2.40 0.16 0.00 -0.34 0.00 0.00 43.02 40.22 2ae8 s PHE 115 CO 0.02 -0.71 0.40 -0.80 -1.46 0.00 0.00 175.22 172.67 2ae8 s ASN 116 N 1.52 3.99 -0.29 6.13 0.01 0.47 -5.00 114.94 121.78 2ae8 s ASN 116 Ca 0.00 -3.44 -0.00 0.00 -0.71 0.00 0.00 52.86 48.70 2ae8 s ASN 116 Cb -0.20 -1.34 0.18 0.00 0.41 0.00 0.00 41.25 40.30 2ae8 s ASN 116 CO 0.04 -0.14 0.56 0.00 -1.51 0.00 0.00 177.10 176.05 2ae8 s ALA 117 N -0.80 -2.06 -0.43 0.60 0.00 -1.26 -1.53 121.76 116.29 2ae8 s ALA 117 Ca 0.24 1.56 -0.21 0.00 0.00 0.00 0.00 51.96 53.56 2ae8 s ALA 117 Cb -0.08 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.92 2ae8 s ALA 117 CO -0.13 -1.39 0.66 -1.12 0.00 0.00 0.00 175.76 173.78 2ae8 s SER 118 N 2.80 6.35 0.35 0.00 0.01 -1.26 -5.01 113.70 116.93 2ae8 s SER 118 Ca 0.18 -0.23 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 2ae8 s SER 118 Cb -0.14 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 2ae8 s SER 118 CO -0.21 -0.76 0.93 -0.76 0.41 0.00 0.00 173.24 172.85 2ae8 s LEU 119 N 2.85 4.23 0.41 2.44 1.43 -1.26 -4.96 118.68 123.82 2ae8 s LEU 119 Ca 0.24 1.77 0.22 0.00 -1.03 0.00 0.00 54.13 55.33 2ae8 s LEU 119 Cb -0.14 -4.14 0.75 0.00 0.03 0.00 0.00 46.19 42.69 2ae8 s LEU 119 CO 0.19 -0.14 1.75 0.28 0.23 0.00 0.00 176.35 178.66 2ae8 h SER 120 N 2.84 0.00 -4.82 2.29 0.02 -1.92 -3.45 113.55 108.50 2ae8 h SER 120 Ca -0.47 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.25 2ae8 h SER 120 Cb 1.19 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.54 2ae8 h SER 120 CO 0.64 0.27 -0.71 -0.54 -1.14 0.00 0.00 176.83 175.35 2ae8 s LYS 121 N -3.52 0.58 0.39 3.45 -0.14 -1.26 -5.00 119.74 114.23 2ae8 s LYS 121 Ca 0.01 -0.94 0.20 0.00 -1.36 0.00 0.00 55.97 53.88 2ae8 s LYS 121 Cb 0.10 -0.13 0.70 0.00 -1.68 0.00 0.00 37.83 36.82 2ae8 s LYS 121 CO 0.66 -0.01 1.74 0.93 -0.76 0.00 0.00 175.35 177.91 2ae8 h GLU 122 N 3.95 0.00 -4.18 1.68 5.08 -1.96 -3.43 114.58 115.73 2ae8 h GLU 122 Ca -0.35 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.84 2ae8 h GLU 122 Cb 1.19 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.25 2ae8 h GLU 122 CO 0.50 0.34 -0.70 0.15 -1.00 0.00 0.00 179.01 178.30 2ae8 s LYS 123 N -3.57 0.46 -0.21 2.33 1.02 -1.26 -1.50 119.74 117.00 2ae8 s LYS 123 Ca 0.01 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.16 2ae8 s LYS 123 Cb 0.10 0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2ae8 s LYS 123 CO 0.68 -0.05 -0.16 0.14 -0.92 0.00 0.00 175.35 175.04 2ae8 s VAL 124 N -2.27 2.16 0.00 3.17 -7.23 -0.60 -4.90 120.40 110.72 2ae8 s VAL 124 Ca -0.07 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 2ae8 s VAL 124 Cb -0.04 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2ae8 s VAL 124 CO -0.04 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2ae8 n GLY 125 N 4.55 4.16 0.72 2.32 0.00 -1.26 -1.26 105.19 114.43 2ae8 n GLY 125 Ca -0.18 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2ae8 n GLY 125 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ae8 n THR 126 N 0.00 0.00 -2.85 2.61 -2.24 -1.26 -4.94 114.28 105.59 2ae8 n THR 126 Ca 0.00 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2ae8 n THR 126 Cb 0.00 1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 2ae8 n THR 126 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2ae8 s PHE 127 N -2.22 3.39 -0.10 4.78 5.36 -0.39 -5.01 117.98 123.78 2ae8 s PHE 127 Ca 0.24 1.27 -0.29 0.00 -0.96 0.00 0.00 56.93 57.19 2ae8 s PHE 127 Cb 0.19 -3.06 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 2ae8 s PHE 127 CO 0.43 -0.31 1.56 -0.51 -1.46 0.00 0.00 175.22 174.93 2ae8 s ASP 128 N 1.21 6.69 0.55 6.13 -0.00 -1.26 -1.56 116.67 128.42 2ae8 s ASP 128 Ca 0.39 2.02 0.35 0.00 -0.00 0.00 0.00 52.55 55.31 2ae8 s ASP 128 Cb -0.16 -2.53 1.54 0.00 -0.00 0.00 0.00 42.92 41.76 2ae8 s ASP 128 CO 0.11 -0.94 2.03 0.71 -0.00 0.00 0.00 175.17 177.08 2ae8 h THR 129 N 5.64 0.00 0.00 -1.27 1.35 -1.54 -1.86 112.91 115.23 2ae8 h THR 129 Ca -0.35 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2ae8 h THR 129 Cb 1.16 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2ae8 h THR 129 CO 0.96 0.00 0.00 1.05 -0.25 0.00 0.00 175.52 177.28 2ae8 h GLU 130 N 0.00 0.00 0.00 4.72 4.11 -1.91 -2.07 114.58 119.43 2ae8 h GLU 130 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ae8 h GLU 130 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ae8 h GLU 130 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.01 2ae8 h LEU 131 N 0.00 0.00 0.03 3.06 3.38 -1.74 -3.21 115.31 116.83 2ae8 h LEU 131 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ae8 h LEU 131 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2ae8 h LEU 131 CO 0.00 0.00 -0.01 0.58 0.09 0.00 0.00 178.44 179.10 2ae8 h VAL 132 N 0.00 1.08 -0.60 1.22 2.07 -1.57 0.36 116.25 118.81 2ae8 h VAL 132 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2ae8 h VAL 132 Cb 0.51 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2ae8 h VAL 132 CO 0.00 0.08 0.24 -0.08 0.02 0.00 0.00 177.57 177.83 2ae8 h GLU 133 N -0.18 0.87 -0.80 1.57 4.81 -1.75 -1.74 114.58 117.36 2ae8 h GLU 133 Ca -0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2ae8 h GLU 133 Cb 0.17 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2ae8 h GLU 133 CO 0.01 0.71 0.31 0.93 -0.73 0.00 0.00 179.01 180.24 2ae8 h GLU 134 N 0.86 1.20 -0.02 1.92 4.39 -1.50 -0.51 114.58 120.91 2ae8 h GLU 134 Ca 0.20 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2ae8 h GLU 134 Cb 0.17 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2ae8 h GLU 134 CO -0.02 0.97 0.01 0.35 -1.16 0.00 0.00 179.01 179.16 2ae8 h PHE 135 N 1.16 0.04 -0.78 4.33 3.57 -0.45 -2.38 116.94 122.42 2ae8 h PHE 135 Ca 0.26 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 2ae8 h PHE 135 Cb 0.23 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2ae8 h PHE 135 CO 0.02 0.20 0.31 0.74 -2.23 0.00 0.00 178.31 177.35 2ae8 h PHE 136 N -0.14 1.20 -0.82 0.41 0.04 -1.24 -1.64 116.94 114.75 2ae8 h PHE 136 Ca 0.01 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.73 2ae8 h PHE 136 Cb 0.18 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 37.92 2ae8 h PHE 136 CO -0.02 0.91 0.52 -0.09 -0.60 0.00 0.00 178.31 179.03 2ae8 h ARG 137 N 1.14 0.97 -0.08 1.51 2.43 -1.04 -0.34 114.38 118.97 2ae8 h ARG 137 Ca 0.26 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2ae8 h ARG 137 Cb 0.22 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2ae8 h ARG 137 CO -0.02 0.64 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 2ae8 h ALA 138 N 1.36 0.10 0.38 2.80 0.00 -1.04 -2.32 119.26 120.54 2ae8 h ALA 138 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2ae8 h ALA 138 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ae8 h ALA 138 CO -0.13 -0.23 -0.18 0.28 0.00 0.00 0.00 179.25 178.99 2ae8 h VAL 139 N -0.14 0.62 -0.18 0.00 2.07 -1.18 -2.65 116.25 114.79 2ae8 h VAL 139 Ca 0.02 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2ae8 h VAL 139 Cb 0.33 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2ae8 h VAL 139 CO 0.00 0.07 0.11 0.58 0.02 0.00 0.00 177.57 178.35 2ae8 h VAL 140 N -0.71 1.09 -0.36 2.57 2.07 -1.14 0.17 116.25 119.94 2ae8 h VAL 140 Ca -0.05 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2ae8 h VAL 140 Cb 0.50 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2ae8 h VAL 140 CO 0.09 0.08 0.03 0.40 0.02 0.00 0.00 177.57 178.19 2ae8 h ILE 141 N 0.20 1.25 0.00 4.57 1.08 -1.52 -1.27 117.51 121.82 2ae8 h ILE 141 Ca 0.06 -0.91 -0.13 0.00 -0.39 0.00 0.00 64.86 63.49 2ae8 h ILE 141 Cb 0.04 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2ae8 h ILE 141 CO -0.01 0.30 -0.62 0.78 -0.69 0.00 0.00 178.15 177.91 2ae8 h ASN 142 N 0.44 0.00 0.30 1.72 2.35 -1.37 -2.37 115.58 116.65 2ae8 h ASN 142 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ae8 h ASN 142 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2ae8 h ASN 142 CO 0.01 0.62 -0.01 0.00 -1.65 0.00 0.00 177.43 176.40 2ae8 n ALA 143 N -2.37 2.60 -3.65 -0.83 0.00 0.04 -4.17 120.51 112.13 2ae8 n ALA 143 Ca -0.01 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2ae8 n ALA 143 Cb 0.66 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.69 2ae8 n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ae8 n ARG 144 N -1.09 -5.76 -3.97 0.00 1.74 -0.69 -4.59 116.66 102.30 2ae8 n ARG 144 Ca 0.18 0.70 -0.25 0.00 -0.77 0.00 0.00 57.85 57.71 2ae8 n ARG 144 Cb 0.20 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.13 2ae8 n ARG 144 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ae8 s LEU 145 N -6.74 4.25 -0.29 0.55 1.43 -0.57 -1.79 118.68 115.53 2ae8 s LEU 145 Ca 0.15 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 2ae8 s LEU 145 Cb -0.07 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2ae8 s LEU 145 CO 0.78 0.03 0.16 -0.89 0.23 0.00 0.00 176.35 176.67 2ae8 s THR 146 N -1.79 4.94 -0.00 5.49 2.01 -0.09 -1.13 115.64 125.07 2ae8 s THR 146 Ca 0.34 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2ae8 s THR 146 Cb -0.11 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 2ae8 s THR 146 CO 0.28 0.20 -0.05 0.28 -0.69 0.00 0.00 174.62 174.64 2ae8 s THR 147 N 1.69 0.37 -0.16 -0.82 -1.32 0.06 -0.35 115.64 115.11 2ae8 s THR 147 Ca 0.06 -0.23 -0.01 0.00 -1.21 0.00 0.00 61.69 60.30 2ae8 s THR 147 Cb -0.16 -0.32 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 2ae8 s THR 147 CO 0.08 0.08 -0.13 -1.00 -2.21 0.00 0.00 174.62 171.45 2ae8 s HIS 148 N -0.16 2.83 -0.19 9.09 3.76 -0.30 -1.21 115.29 129.11 2ae8 s HIS 148 Ca 0.01 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 53.97 2ae8 s HIS 148 Cb -0.02 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 2ae8 s HIS 148 CO -0.00 -0.42 -0.07 0.42 -0.85 0.00 0.00 174.74 173.82 2ae8 s ILE 149 N 0.81 3.32 -0.10 0.60 1.01 0.34 -1.19 121.20 126.01 2ae8 s ILE 149 Ca -0.04 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2ae8 s ILE 149 Cb -0.15 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.86 2ae8 s ILE 149 CO 0.00 0.46 -0.10 -1.81 0.00 0.00 0.00 174.94 173.49 2ae8 s ASP 150 N 1.10 2.06 -0.57 3.58 1.01 0.09 -0.39 116.67 123.54 2ae8 s ASP 150 Ca 0.01 -0.31 -0.22 0.00 0.71 0.00 0.00 52.55 52.73 2ae8 s ASP 150 Cb -0.15 -0.86 0.05 0.00 1.01 0.00 0.00 42.92 42.98 2ae8 s ASP 150 CO -0.01 -0.06 0.87 -0.22 0.21 0.00 0.00 175.17 175.96 2ae8 s LEU 151 N 1.30 4.40 0.13 1.23 0.20 -0.58 -0.45 118.68 124.91 2ae8 s LEU 151 Ca -0.02 -0.66 -0.10 0.00 0.69 0.00 0.00 54.13 54.03 2ae8 s LEU 151 Cb -0.14 -2.63 -0.07 0.00 -0.43 0.00 0.00 46.19 42.93 2ae8 s LEU 151 CO -0.04 -1.20 1.41 0.40 -0.29 0.00 0.00 176.35 176.62 2ae8 h ILE 152 N 5.97 1.28 -3.02 6.68 2.04 -1.05 -3.46 117.51 125.95 2ae8 h ILE 152 Ca -0.27 -1.79 -0.08 0.00 1.00 0.00 0.00 64.86 63.73 2ae8 h ILE 152 Cb 1.08 1.71 -0.17 0.00 -0.74 0.00 0.00 36.82 38.70 2ae8 h ILE 152 CO 1.08 0.58 -0.10 0.00 0.00 0.00 0.00 178.15 179.71 2ae8 s ARG 153 N -4.04 0.92 0.00 2.37 1.70 -1.15 -4.97 118.95 113.79 2ae8 s ARG 153 Ca -0.10 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 2ae8 s ARG 153 Cb 0.10 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 2ae8 s ARG 153 CO 0.89 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 175.20 2ae8 n GLY 154 N 0.51 5.17 0.00 3.88 0.00 -1.26 -1.61 105.19 111.88 2ae8 n GLY 154 Ca -0.19 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2ae8 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ae8 n GLY 155 N 0.00 1.26 3.54 -0.02 0.00 -1.26 -4.55 105.19 104.16 2ae8 n GLY 155 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2ae8 n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ae8 s ASN 156 N 0.00 5.39 0.23 1.61 3.84 -1.26 -4.85 114.94 119.90 2ae8 s ASN 156 Ca 0.00 -0.06 -0.04 0.00 0.21 0.00 0.00 52.86 52.96 2ae8 s ASN 156 Cb 0.00 -1.95 0.25 0.00 -0.55 0.00 0.00 41.25 39.00 2ae8 s ASN 156 CO 0.00 0.07 1.72 0.74 -2.79 0.00 0.00 177.10 176.83 2ae8 h THR 157 N 5.22 1.25 -0.54 -5.21 2.02 -1.96 0.45 112.91 114.14 2ae8 h THR 157 Ca -0.37 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 2ae8 h THR 157 Cb 1.17 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2ae8 h THR 157 CO 0.63 0.38 0.22 -0.74 0.37 0.00 0.00 175.52 176.38 2ae8 h HIS 158 N 0.81 0.81 -0.39 3.16 -0.00 -1.95 -1.35 115.15 116.24 2ae8 h HIS 158 Ca 0.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 2ae8 h HIS 158 Cb 0.50 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 2ae8 h HIS 158 CO 0.03 0.66 0.21 0.45 -0.00 0.00 0.00 177.93 179.28 2ae8 h HIS 159 N 0.73 0.54 -0.28 5.26 3.86 -1.85 -0.99 115.15 122.41 2ae8 h HIS 159 Ca 0.18 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.43 2ae8 h HIS 159 Cb 0.19 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 2ae8 h HIS 159 CO 0.01 0.42 -0.04 0.93 0.86 0.00 0.00 177.93 180.11 2ae8 h GLU 160 N 0.50 0.04 -0.29 2.45 5.08 -0.65 0.65 114.58 122.36 2ae8 h GLU 160 Ca 0.14 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2ae8 h GLU 160 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2ae8 h GLU 160 CO -0.02 0.02 -0.10 0.82 -1.00 0.00 0.00 179.01 178.73 2ae8 h ILE 161 N 0.04 1.29 -0.57 3.13 2.04 -1.13 -2.39 117.51 119.91 2ae8 h ILE 161 Ca 0.14 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 2ae8 h ILE 161 Cb 0.19 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2ae8 h ILE 161 CO -0.26 0.37 0.26 -0.08 0.00 0.00 0.00 178.15 178.44 2ae8 h GLU 162 N 0.33 0.83 -0.86 2.37 4.81 -1.03 -0.41 114.58 120.62 2ae8 h GLU 162 Ca 0.07 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2ae8 h GLU 162 Cb 0.60 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 2ae8 h GLU 162 CO 0.03 0.69 0.53 0.00 -0.73 0.00 0.00 179.01 179.54 2ae8 h ALA 163 N 1.10 1.18 -0.08 2.92 0.00 -0.80 -0.72 119.26 122.86 2ae8 h ALA 163 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ae8 h ALA 163 Cb 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ae8 h ALA 163 CO -0.02 0.28 -0.04 0.82 0.00 0.00 0.00 179.25 180.29 2ae8 h ILE 164 N 0.98 1.32 -0.65 0.00 2.04 -0.91 0.56 117.51 120.84 2ae8 h ILE 164 Ca 0.37 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.24 2ae8 h ILE 164 Cb 0.16 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 2ae8 h ILE 164 CO -0.17 0.29 0.35 -0.26 0.00 0.00 0.00 178.15 178.37 2ae8 h PHE 165 N -0.21 0.65 -0.37 1.37 0.04 -0.93 -0.24 116.94 117.25 2ae8 h PHE 165 Ca 0.02 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 2ae8 h PHE 165 Cb 0.49 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2ae8 h PHE 165 CO 0.07 0.30 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.78 2ae8 h LYS 166 N 0.65 0.70 -0.30 1.51 3.64 -1.00 -1.17 116.57 120.60 2ae8 h LYS 166 Ca 0.30 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2ae8 h LYS 166 Cb 0.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2ae8 h LYS 166 CO -0.19 0.85 0.03 0.00 -2.27 0.00 0.00 179.45 177.86 2ae8 h ALA 167 N 0.83 0.40 -0.33 5.00 0.00 -0.71 -1.93 119.26 122.53 2ae8 h ALA 167 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2ae8 h ALA 167 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ae8 h ALA 167 CO 0.03 0.12 0.14 0.35 0.00 0.00 0.00 179.25 179.90 2ae8 h PHE 168 N 0.32 0.49 -0.49 0.00 3.57 -1.02 -1.18 116.94 118.63 2ae8 h PHE 168 Ca 0.09 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2ae8 h PHE 168 Cb 0.39 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2ae8 h PHE 168 CO 0.03 0.45 0.26 0.77 -2.23 0.00 0.00 178.31 177.59 2ae8 h SER 169 N 0.39 0.39 -0.29 0.41 0.02 -1.16 -0.37 113.55 112.94 2ae8 h SER 169 Ca 0.11 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 2ae8 h SER 169 Cb 0.16 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2ae8 h SER 169 CO -0.01 0.27 -0.46 0.03 -1.14 0.00 0.00 176.83 175.53 2ae8 h ARG 170 N 0.51 0.83 -0.72 3.45 3.08 -1.29 -1.92 114.38 118.32 2ae8 h ARG 170 Ca 0.21 -0.50 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2ae8 h ARG 170 Cb 0.09 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2ae8 h ARG 170 CO -0.13 1.13 0.23 0.00 -1.07 0.00 0.00 179.97 180.13 2ae8 h ALA 171 N 0.69 1.04 -0.43 0.04 0.00 -1.04 -0.20 119.26 119.35 2ae8 h ALA 171 Ca 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2ae8 h ALA 171 Cb 1.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2ae8 h ALA 171 CO 0.10 0.65 0.12 1.25 0.00 0.00 0.00 179.25 181.38 2ae8 h LEU 172 N 1.07 0.64 -0.83 0.00 5.85 -1.00 -1.45 115.31 119.59 2ae8 h LEU 172 Ca 0.23 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2ae8 h LEU 172 Cb 0.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2ae8 h LEU 172 CO -0.01 0.69 0.21 1.23 -0.34 0.00 0.00 178.44 180.22 2ae8 h GLY 173 N 0.56 1.16 0.95 3.75 0.00 -1.11 0.11 103.07 108.49 2ae8 h GLY 173 Ca 0.14 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.80 2ae8 h GLY 173 CO -0.00 0.64 0.13 -2.22 0.00 0.00 0.00 176.54 175.08 2ae8 h ILE 174 N 1.04 1.02 -0.13 2.60 2.04 -0.99 -2.86 117.51 120.23 2ae8 h ILE 174 Ca 0.23 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2ae8 h ILE 174 Cb 0.30 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2ae8 h ILE 174 CO -0.01 0.05 -0.25 0.00 0.00 0.00 0.00 178.15 177.94 2ae8 h ALA 175 N 1.10 1.34 -0.00 1.87 0.00 -0.59 -2.70 119.26 120.28 2ae8 h ALA 175 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ae8 h ALA 175 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ae8 h ALA 175 CO -0.04 0.45 -0.01 1.28 0.00 0.00 0.00 179.25 180.94 2ae8 n LEU 176 N -4.16 0.01 -4.73 0.00 4.77 0.33 -0.55 117.00 112.67 2ae8 n LEU 176 Ca -0.01 0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 56.02 2ae8 n LEU 176 Cb 0.36 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2ae8 n LEU 176 CO 0.39 0.00 1.33 -0.89 -1.33 0.00 0.00 177.39 176.90 2ae8 s THR 177 N -2.94 2.06 0.44 -5.08 2.01 -1.02 -4.73 115.64 106.38 2ae8 s THR 177 Ca 0.16 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 2ae8 s THR 177 Cb 0.19 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.58 2ae8 s THR 177 CO 0.52 0.00 1.29 0.00 -0.69 0.00 0.00 174.62 175.75 2ae8 n ALA 178 N 3.52 1.41 -0.29 7.40 0.00 -1.26 -1.11 120.51 130.17 2ae8 n ALA 178 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2ae8 n ALA 178 Cb 0.36 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2ae8 n ALA 178 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13