#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 2.96 0.02 1.39 1.51 -0.69 -4.98 117.35 117.56 2ae8 s TYR 3 Ca 0.00 -0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 2ae8 s TYR 3 Cb 0.00 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 2ae8 s TYR 3 CO 0.00 -0.01 0.29 -0.65 -1.11 0.00 0.00 175.55 174.08 2ae8 s GLN 4 N 0.14 0.74 0.02 -0.62 -0.21 -1.26 -0.27 119.66 118.20 2ae8 s GLN 4 Ca -0.03 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 2ae8 s GLN 4 Cb -0.14 0.32 0.10 0.00 1.00 0.00 0.00 33.01 34.29 2ae8 s GLN 4 CO 0.03 -0.22 0.91 -1.59 -2.12 0.00 0.00 175.29 172.31 2ae8 s LYS 5 N -2.05 0.86 0.15 2.91 -2.85 -0.30 -5.00 119.74 113.47 2ae8 s LYS 5 Ca -0.09 -0.36 0.10 0.00 -1.00 0.00 0.00 55.97 54.62 2ae8 s LYS 5 Cb -0.03 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 2ae8 s LYS 5 CO -0.00 -0.38 -0.18 1.14 0.10 0.00 0.00 175.35 176.03 2ae8 s GLN 6 N -3.12 1.78 0.00 1.78 -2.07 -1.26 -1.32 119.66 115.45 2ae8 s GLN 6 Ca 0.06 -1.28 0.00 0.00 -1.82 0.00 0.00 55.36 52.32 2ae8 s GLN 6 Cb -0.01 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 2ae8 s GLN 6 CO -0.07 0.45 0.00 -2.13 -1.32 0.00 0.00 175.29 172.22 2ae8 n ARG 7 N 0.50 4.77 -0.83 9.60 0.63 -0.38 -5.01 116.66 125.94 2ae8 n ARG 7 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2ae8 n ARG 7 Cb 0.54 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.95 2ae8 n ARG 7 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2ae8 n THR 12 N -0.17 0.00 -4.73 5.15 5.66 -1.26 -2.46 114.28 116.48 2ae8 n THR 12 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 2ae8 n THR 12 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 2ae8 n THR 12 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2ae8 s GLN 13 N -3.26 1.75 -0.10 1.09 1.11 0.90 -4.98 119.66 116.18 2ae8 s GLN 13 Ca 0.00 -0.53 0.01 0.00 0.01 0.00 0.00 55.36 54.86 2ae8 s GLN 13 Cb 0.00 -1.48 0.02 0.00 -1.01 0.00 0.00 33.01 30.54 2ae8 s GLN 13 CO 0.00 0.15 -0.11 -1.17 0.01 0.00 0.00 175.29 174.17 2ae8 s LEU 14 N 0.29 1.49 -0.11 2.90 2.96 -1.03 0.19 118.68 125.37 2ae8 s LEU 14 Ca -0.08 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2ae8 s LEU 14 Cb -0.13 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.69 2ae8 s LEU 14 CO 0.03 -0.03 -0.08 0.21 -1.32 0.00 0.00 176.35 175.16 2ae8 s ASN 15 N 1.15 2.17 -0.01 3.68 2.47 0.40 -1.25 114.94 123.55 2ae8 s ASN 15 Ca -0.05 -0.31 0.03 0.00 0.42 0.00 0.00 52.86 52.95 2ae8 s ASN 15 Cb -0.14 -0.85 -0.01 0.00 -1.45 0.00 0.00 41.25 38.80 2ae8 s ASN 15 CO -0.02 -0.11 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.52 2ae8 s ILE 16 N 1.63 0.74 0.06 -5.21 1.01 -0.43 -0.63 121.20 118.37 2ae8 s ILE 16 Ca 0.04 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2ae8 s ILE 16 Cb -0.13 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 2ae8 s ILE 16 CO -0.08 0.21 -0.12 -0.94 0.00 0.00 0.00 174.94 174.02 2ae8 s SER 17 N -0.18 1.43 0.00 3.58 1.04 -0.11 -1.15 113.70 118.31 2ae8 s SER 17 Ca 0.03 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.92 2ae8 s SER 17 Cb -0.04 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2ae8 s SER 17 CO -0.00 -0.09 -0.07 -0.51 0.98 0.00 0.00 173.24 173.54 2ae8 s ILE 18 N -1.22 0.55 -0.03 -1.02 2.07 0.63 -0.71 121.20 121.48 2ae8 s ILE 18 Ca -0.04 -0.43 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 2ae8 s ILE 18 Cb -0.10 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.01 2ae8 s ILE 18 CO 0.02 0.06 0.12 -0.55 -1.91 0.00 0.00 174.94 172.68 2ae8 s SER 19 N -0.41 -0.05 -0.51 4.50 0.15 0.01 -1.70 113.70 115.69 2ae8 s SER 19 Ca 0.01 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 2ae8 s SER 19 Cb -0.04 0.23 0.11 0.00 -1.71 0.00 0.00 66.02 64.61 2ae8 s SER 19 CO -0.00 -0.17 2.64 -0.67 1.20 0.00 0.00 173.24 176.24 2ae8 n ASP 20 N 2.41 6.63 -0.56 5.45 2.03 -1.26 0.01 116.55 131.27 2ae8 n ASP 20 Ca -0.17 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 51.85 2ae8 n ASP 20 Cb 0.58 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 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 0.64 0.49 -1.46 1.67 3.85 -1.26 -5.01 116.55 115.46 2ae8 n ASP 21 Ca 0.49 -0.45 -0.08 0.00 -0.71 0.00 0.00 54.79 54.05 2ae8 n ASP 21 Cb 0.51 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.49 2ae8 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ae8 n GLN 22 N 0.00 2.24 -2.05 0.11 3.00 -1.26 -4.06 117.38 115.36 2ae8 n GLN 22 Ca 0.00 -3.10 -0.41 0.00 -0.01 0.00 0.00 57.00 53.48 2ae8 n GLN 22 Cb 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 30.24 28.27 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 -2.04 6.69 0.88 1.08 1.04 -1.26 -4.99 113.70 115.11 2ae8 s SER 23 Ca 0.48 2.69 -0.13 0.00 0.48 0.00 0.00 55.95 59.47 2ae8 s SER 23 Cb 0.42 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.97 2ae8 s SER 23 CO 0.05 -0.64 0.78 -2.65 0.98 0.00 0.00 173.24 171.76 2ae8 n PRO 24 N 1.62 -0.16 -4.85 4.02 -0.02 -1.26 -4.70 135.00 129.66 2ae8 n PRO 24 Ca 0.04 0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 2ae8 n PRO 24 Cb 0.41 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 2ae8 n PRO 24 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ae8 s SER 25 N -2.13 4.11 -0.22 2.55 0.01 -1.26 -4.80 113.70 111.96 2ae8 s SER 25 Ca 0.64 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.74 2ae8 s SER 25 Cb -0.25 -0.91 0.05 0.00 0.21 0.00 0.00 66.02 65.12 2ae8 s SER 25 CO 0.60 0.34 -0.09 -2.28 0.41 0.00 0.00 173.24 172.23 2ae8 s HIS 26 N -0.71 2.57 -0.26 2.43 5.04 -1.07 -5.01 115.29 118.28 2ae8 s HIS 26 Ca 0.11 -1.79 0.01 0.00 -1.54 0.00 0.00 55.06 51.85 2ae8 s HIS 26 Cb -0.11 -1.67 0.05 0.00 0.04 0.00 0.00 32.58 30.89 2ae8 s HIS 26 CO 0.01 -0.78 -0.08 0.42 -2.34 0.00 0.00 174.74 171.97 2ae8 s ILE 27 N 1.34 2.52 -0.43 0.89 1.01 -1.26 -0.59 121.20 124.68 2ae8 s ILE 27 Ca -0.04 -1.39 0.02 0.00 0.00 0.00 0.00 60.65 59.24 2ae8 s ILE 27 Cb -0.18 -2.40 0.15 0.00 0.01 0.00 0.00 42.46 40.05 2ae8 s ILE 27 CO -0.07 0.05 0.29 0.21 0.00 0.00 0.00 174.94 175.41 2ae8 s ASN 28 N 1.20 2.86 0.09 3.58 2.47 -0.50 -4.91 114.94 119.72 2ae8 s ASN 28 Ca -0.05 -2.74 0.22 0.00 0.42 0.00 0.00 52.86 50.70 2ae8 s ASN 28 Cb -0.19 -0.71 -0.15 0.00 -1.45 0.00 0.00 41.25 38.76 2ae8 s ASN 28 CO -0.05 -0.23 0.78 0.35 -3.72 0.00 0.00 177.10 174.23 2ae8 n THR 29 N 3.33 0.48 -0.63 -5.21 -2.24 -1.26 -1.29 114.28 107.46 2ae8 n THR 29 Ca 0.17 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2ae8 n THR 29 Cb 0.39 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.25 0.80 2.97 3.38 0.00 -1.26 -4.70 105.19 107.63 2ae8 n GLY 30 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.08 1.76 0.16 1.61 1.01 -1.26 -5.04 120.40 115.56 2ae8 s VAL 31 Ca 0.00 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.33 2ae8 s VAL 31 Cb 0.00 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2ae8 s VAL 31 CO 0.00 -0.18 1.73 1.23 0.00 0.00 0.00 175.10 177.89 2ae8 h GLY 32 N 7.87 0.45 1.28 4.51 0.00 -2.00 0.71 103.07 115.89 2ae8 h GLY 32 Ca -0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 2ae8 h GLY 32 CO 0.44 -0.02 -0.12 -2.75 0.00 0.00 0.00 176.54 174.09 2ae8 h PHE 33 N 0.22 0.94 -0.64 5.60 3.57 -1.96 -2.34 116.94 122.34 2ae8 h PHE 33 Ca 0.18 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2ae8 h PHE 33 Cb 0.20 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2ae8 h PHE 33 CO -0.18 0.92 0.15 1.25 -2.23 0.00 0.00 178.31 178.22 2ae8 h LEU 34 N 0.76 0.94 -0.36 0.59 5.85 -1.80 -2.57 115.31 118.72 2ae8 h LEU 34 Ca 0.12 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2ae8 h LEU 34 Cb 0.63 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2ae8 h LEU 34 CO 0.04 0.91 -0.06 0.78 -0.34 0.00 0.00 178.44 179.77 2ae8 h ASN 35 N 0.95 -0.28 0.00 1.25 2.35 -0.41 0.26 115.58 119.70 2ae8 h ASN 35 Ca 0.20 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2ae8 h ASN 35 Cb 0.34 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2ae8 h ASN 35 CO 0.00 -0.10 0.00 1.41 -1.65 0.00 0.00 177.43 177.10 2ae8 n HIS 36 N -5.25 0.00 0.00 1.19 8.25 -0.92 -1.26 115.22 117.22 2ae8 n HIS 36 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2ae8 n HIS 36 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.24 0.00 -0.13 2.41 4.77 0.08 -2.08 117.00 122.28 2ae8 n LEU 38 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2ae8 n LEU 38 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2ae8 n LEU 38 CO 0.00 0.00 0.81 0.74 -1.33 0.00 0.00 177.39 177.61 2ae8 h THR 39 N 0.00 1.26 -0.70 -5.08 2.02 -1.41 -1.38 112.91 107.62 2ae8 h THR 39 Ca 0.00 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 2ae8 h THR 39 Cb 0.00 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2ae8 h THR 39 CO 0.00 0.40 0.23 -0.07 0.37 0.00 0.00 175.52 176.46 2ae8 h LEU 40 N 0.79 1.00 -0.76 2.58 3.38 -1.68 -2.42 115.31 118.20 2ae8 h LEU 40 Ca 0.14 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ae8 h LEU 40 Cb 0.58 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2ae8 h LEU 40 CO 0.04 0.93 0.48 0.15 0.09 0.00 0.00 178.44 180.13 2ae8 h PHE 41 N 1.01 0.90 0.03 1.13 3.57 -1.77 -1.40 116.94 120.42 2ae8 h PHE 41 Ca 0.23 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2ae8 h PHE 41 Cb 0.28 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ae8 h PHE 41 CO 0.02 0.51 -0.02 1.79 -2.23 0.00 0.00 178.31 178.39 2ae8 h THR 42 N 0.93 1.09 -0.51 4.41 1.35 -1.01 -1.51 112.91 117.67 2ae8 h THR 42 Ca 0.30 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2ae8 h THR 42 Cb 0.02 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2ae8 h THR 42 CO -0.11 0.10 0.32 0.15 -0.25 0.00 0.00 175.52 175.73 2ae8 h PHE 43 N -0.21 0.66 0.00 4.73 3.57 -1.29 -2.20 116.94 122.19 2ae8 h PHE 43 Ca -0.00 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 2ae8 h PHE 43 Cb 0.20 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2ae8 h PHE 43 CO -0.02 0.44 -1.00 0.45 -2.23 0.00 0.00 178.31 175.95 2ae8 h HIS 44 N 0.68 0.00 0.00 0.41 3.86 -1.19 -3.26 115.15 115.66 2ae8 h HIS 44 Ca 0.18 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2ae8 h HIS 44 Cb -0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 2ae8 h HIS 44 CO -0.03 0.79 -0.41 0.66 0.86 0.00 0.00 177.93 179.80 2ae8 h SER 45 N 0.00 0.00 0.00 2.45 4.64 -1.32 -3.33 113.55 115.99 2ae8 h SER 45 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2ae8 h SER 45 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2ae8 h SER 45 CO 0.09 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 2ae8 n GLY 46 N 1.16 0.72 3.78 -0.77 0.00 -0.84 -4.33 105.19 104.91 2ae8 n GLY 46 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 4.34 -0.09 0.99 1.43 -1.15 -4.39 118.68 119.81 2ae8 s LEU 47 Ca 0.00 0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 53.56 2ae8 s LEU 47 Cb 0.00 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2ae8 s LEU 47 CO 0.00 0.20 0.76 -0.44 0.23 0.00 0.00 176.35 177.10 2ae8 s SER 48 N -0.21 7.01 -0.05 2.29 0.01 0.10 -4.36 113.70 118.49 2ae8 s SER 48 Ca 0.20 1.22 0.05 0.00 1.31 0.00 0.00 55.95 58.74 2ae8 s SER 48 Cb -0.14 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2ae8 s SER 48 CO 0.08 -0.21 -0.21 -0.76 0.41 0.00 0.00 173.24 172.55 2ae8 s LEU 49 N 1.21 2.35 -0.09 2.44 1.43 -1.26 -0.81 118.68 123.95 2ae8 s LEU 49 Ca 0.39 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2ae8 s LEU 49 Cb -0.18 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2ae8 s LEU 49 CO 0.18 0.29 -0.09 0.20 0.23 0.00 0.00 176.35 177.16 2ae8 s ASN 50 N -0.42 1.94 -0.06 2.29 0.01 0.11 -2.59 114.94 116.22 2ae8 s ASN 50 Ca 0.04 -0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 51.90 2ae8 s ASN 50 Cb -0.12 -0.81 0.02 0.00 0.41 0.00 0.00 41.25 40.76 2ae8 s ASN 50 CO 0.02 -0.06 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.89 2ae8 s ILE 51 N 1.27 0.54 -0.23 0.60 1.01 0.24 -0.93 121.20 123.71 2ae8 s ILE 51 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2ae8 s ILE 51 Cb -0.14 -0.62 0.04 0.00 0.01 0.00 0.00 42.46 41.75 2ae8 s ILE 51 CO -0.03 0.26 -0.14 -1.61 0.00 0.00 0.00 174.94 173.42 2ae8 s GLU 52 N 1.45 2.64 -0.15 2.79 0.41 0.19 -1.42 118.70 124.62 2ae8 s GLU 52 Ca -0.02 -1.08 -0.00 0.00 -0.41 0.00 0.00 54.97 53.45 2ae8 s GLU 52 Cb -0.13 -2.78 -0.01 0.00 -1.78 0.00 0.00 34.13 29.42 2ae8 s GLU 52 CO -0.03 -0.40 -0.13 0.00 -0.49 0.00 0.00 175.26 174.21 2ae8 s ALA 53 N 1.21 2.60 0.06 5.21 0.00 -0.41 -0.45 121.76 129.98 2ae8 s ALA 53 Ca -0.02 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2ae8 s ALA 53 Cb -0.17 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2ae8 s ALA 53 CO -0.08 0.08 -0.15 -0.65 0.00 0.00 0.00 175.76 174.97 2ae8 s GLN 54 N 0.62 0.89 0.00 0.00 -0.21 0.13 -4.71 119.66 116.38 2ae8 s GLN 54 Ca -0.07 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.43 2ae8 s GLN 54 Cb -0.16 -0.91 0.00 0.00 1.00 0.00 0.00 33.01 32.95 2ae8 s GLN 54 CO 0.03 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.82 2ae8 n GLY 55 N 1.54 -0.25 2.06 3.09 0.00 -1.26 -0.07 105.19 110.30 2ae8 n GLY 55 Ca -0.20 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.21 -0.07 1.61 2.03 -1.26 -5.06 116.55 112.59 2ae8 n ASP 60 Ca 0.00 0.52 0.10 0.00 0.52 0.00 0.00 54.79 55.93 2ae8 n ASP 60 Cb 0.00 1.29 0.47 0.00 -0.72 0.00 0.00 41.12 42.16 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 0.41 0.17 1.67 3.45 -1.99 -2.49 116.42 117.64 2ae8 h ASP 61 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 2ae8 h ASP 61 Cb 0.00 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2ae8 h ASP 61 CO 0.00 0.26 -0.09 -0.74 -1.57 0.00 0.00 179.24 177.10 2ae8 h HIS 62 N 0.47 -0.24 -0.35 4.55 2.76 -1.98 0.31 115.15 120.66 2ae8 h HIS 62 Ca 0.25 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2ae8 h HIS 62 Cb 0.38 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 2ae8 h HIS 62 CO -0.00 -0.15 0.12 0.45 -1.30 0.00 0.00 177.93 177.05 2ae8 h HIS 63 N -0.25 0.55 -0.00 5.26 3.86 -1.95 -0.27 115.15 122.36 2ae8 h HIS 63 Ca -0.02 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2ae8 h HIS 63 Cb 0.20 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 2ae8 h HIS 63 CO -0.08 0.52 0.00 0.28 0.86 0.00 0.00 177.93 179.52 2ae8 h VAL 64 N 0.42 1.08 -0.20 2.45 2.07 -1.39 -0.32 116.25 120.36 2ae8 h VAL 64 Ca 0.12 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2ae8 h VAL 64 Cb 0.22 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2ae8 h VAL 64 CO -0.01 0.06 0.05 0.74 0.02 0.00 0.00 177.57 178.44 2ae8 h THR 65 N -0.10 0.93 -0.42 2.57 2.02 -0.79 -1.03 112.91 116.08 2ae8 h THR 65 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2ae8 h THR 65 Cb 0.10 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2ae8 h THR 65 CO -0.00 0.03 0.14 -0.08 0.37 0.00 0.00 175.52 175.98 2ae8 h GLU 66 N 0.14 0.64 -0.59 6.66 4.81 -0.96 -1.54 114.58 123.75 2ae8 h GLU 66 Ca 0.09 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2ae8 h GLU 66 Cb 0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2ae8 h GLU 66 CO -0.11 0.62 0.23 -0.44 -0.73 0.00 0.00 179.01 178.59 2ae8 h ASP 67 N 0.54 0.81 -0.42 1.04 3.45 -0.87 -0.02 116.42 120.94 2ae8 h ASP 67 Ca 0.14 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.43 2ae8 h ASP 67 Cb 0.24 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 2ae8 h ASP 67 CO -0.01 0.76 0.26 0.40 -1.57 0.00 0.00 179.24 179.09 2ae8 h ILE 68 N 0.81 1.12 -0.85 0.35 2.04 -1.15 -2.13 117.51 117.71 2ae8 h ILE 68 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2ae8 h ILE 68 Cb 0.20 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2ae8 h ILE 68 CO -0.02 0.12 0.48 1.23 0.00 0.00 0.00 178.15 179.97 2ae8 h GLY 69 N 0.56 1.25 0.89 5.37 0.00 -0.91 -0.68 103.07 109.56 2ae8 h GLY 69 Ca 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2ae8 h GLY 69 CO -0.03 0.53 0.07 -2.22 0.00 0.00 0.00 176.54 174.89 2ae8 h ILE 70 N 1.18 1.14 -0.38 2.60 2.04 -0.85 -0.60 117.51 122.64 2ae8 h ILE 70 Ca 0.30 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 2ae8 h ILE 70 Cb 0.01 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2ae8 h ILE 70 CO -0.05 0.13 0.01 0.58 0.00 0.00 0.00 178.15 178.82 2ae8 h VAL 71 N 0.12 1.26 -0.28 1.67 2.07 -1.26 0.12 116.25 119.95 2ae8 h VAL 71 Ca 0.05 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.63 2ae8 h VAL 71 Cb 0.15 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2ae8 h VAL 71 CO -0.01 0.33 0.08 0.40 0.02 0.00 0.00 177.57 178.39 2ae8 h ILE 72 N 0.50 0.89 -0.17 4.57 2.04 -1.10 -0.70 117.51 123.55 2ae8 h ILE 72 Ca 0.11 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2ae8 h ILE 72 Cb 0.45 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2ae8 h ILE 72 CO 0.02 0.03 -0.26 1.23 0.00 0.00 0.00 178.15 179.17 2ae8 h GLY 73 N 0.19 -0.27 1.02 5.37 0.00 -0.77 0.62 103.07 109.24 2ae8 h GLY 73 Ca 0.13 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 2ae8 h GLY 73 CO -0.15 -0.20 0.45 1.46 0.00 0.00 0.00 176.54 178.10 2ae8 h GLN 74 N -0.31 1.13 -0.33 4.80 4.20 -0.69 -0.72 115.11 123.20 2ae8 h GLN 74 Ca 0.11 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 2ae8 h GLN 74 Cb 0.48 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2ae8 h GLN 74 CO -0.34 0.83 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.33 2ae8 h LEU 75 N 1.13 0.66 -0.94 1.46 3.38 -0.96 -1.59 115.31 118.45 2ae8 h LEU 75 Ca 0.29 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2ae8 h LEU 75 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2ae8 h LEU 75 CO -0.05 0.89 0.23 -0.07 0.09 0.00 0.00 178.44 179.53 2ae8 h LEU 76 N 0.57 0.92 -1.00 1.67 3.38 -0.35 -2.43 115.31 118.06 2ae8 h LEU 76 Ca 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2ae8 h LEU 76 Cb 0.73 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2ae8 h LEU 76 CO 0.06 0.85 0.34 0.25 0.09 0.00 0.00 178.44 180.03 2ae8 h LEU 77 N 0.97 0.96 -1.02 1.67 5.85 -0.58 -0.36 115.31 122.80 2ae8 h LEU 77 Ca 0.22 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2ae8 h LEU 77 Cb 0.24 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ae8 h LEU 77 CO -0.01 0.82 0.00 -0.62 -0.34 0.00 0.00 178.44 178.29 2ae8 n GLU 78 N -4.32 0.05 0.00 1.25 1.02 -0.65 -1.11 120.64 116.88 2ae8 n GLU 78 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2ae8 n GLU 78 Cb 0.14 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.48 0.00 -0.05 -3.67 5.41 -0.14 -2.20 119.36 119.18 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 0.01 0.00 0.42 0.00 -0.71 0.00 0.00 39.64 39.37 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 0.56 -0.04 0.38 1.57 -1.37 -2.50 116.57 115.16 2ae8 h LYS 81 Ca 0.00 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 2ae8 h LYS 81 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2ae8 h LYS 81 CO 0.00 0.37 -0.74 -0.44 -0.57 0.00 0.00 179.45 178.07 2ae8 h ASP 82 N 0.57 0.33 -3.81 0.86 3.32 -1.71 -3.45 116.42 112.54 2ae8 h ASP 82 Ca 0.21 -0.23 -0.51 0.00 0.02 0.00 0.00 57.03 56.52 2ae8 h ASP 82 Cb 0.11 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.59 2ae8 h ASP 82 CO -0.05 0.96 0.51 -0.54 -1.72 0.00 0.00 179.24 178.39 2ae8 s LYS 83 N -3.52 4.58 0.00 3.56 1.02 -0.94 -5.00 119.74 119.44 2ae8 s LYS 83 Ca -0.04 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2ae8 s LYS 83 Cb 0.11 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2ae8 s LYS 83 CO 0.82 0.12 0.00 1.17 -0.92 0.00 0.00 175.35 176.54 2ae8 n LYS 84 N 1.16 0.00 -3.71 1.68 4.81 -1.26 -4.93 118.16 115.91 2ae8 n LYS 84 Ca -0.01 0.07 -0.38 0.00 -0.87 0.00 0.00 58.31 57.13 2ae8 n LYS 84 Cb 0.44 -0.39 -0.12 0.00 0.02 0.00 0.00 35.03 34.98 2ae8 n LYS 84 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2ae8 s HIS 85 N -0.36 3.14 0.12 5.64 3.76 -1.26 -5.06 115.29 121.27 2ae8 s HIS 85 Ca 0.00 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 2ae8 s HIS 85 Cb 0.00 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 2ae8 s HIS 85 CO 0.00 -0.46 -0.03 -0.59 -0.85 0.00 0.00 174.74 172.81 2ae8 s PHE 86 N 1.58 0.94 0.30 1.40 -0.12 -1.26 -0.24 117.98 120.58 2ae8 s PHE 86 Ca 0.05 -1.01 0.02 0.00 -0.05 0.00 0.00 56.93 55.94 2ae8 s PHE 86 Cb -0.17 -0.55 0.59 0.00 -0.63 0.00 0.00 43.02 42.27 2ae8 s PHE 86 CO 0.04 -0.24 1.86 0.28 -0.05 0.00 0.00 175.22 177.11 2ae8 h VAL 87 N 2.89 0.94 0.00 -2.49 2.07 -0.57 -3.45 116.25 115.64 2ae8 h VAL 87 Ca -0.36 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2ae8 h VAL 87 Cb 1.18 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2ae8 h VAL 87 CO 0.64 0.17 0.00 -1.14 0.02 0.00 0.00 177.57 177.26 2ae8 n ARG 88 N -4.58 0.00 -4.13 1.57 0.63 0.33 -4.92 116.66 105.56 2ae8 n ARG 88 Ca 0.18 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.76 2ae8 n ARG 88 Cb 0.34 -0.01 -0.10 0.00 0.45 0.00 0.00 32.46 33.14 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 0.00 3.20 -0.01 -0.14 1.51 -1.26 -1.19 117.35 119.46 2ae8 s TYR 89 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2ae8 s TYR 89 Cb 0.00 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 2ae8 s TYR 89 CO 0.00 0.15 0.02 0.20 -1.11 0.00 0.00 175.55 174.81 2ae8 s GLY 90 N 0.23 -0.00 0.34 0.71 0.00 0.02 -4.22 107.32 104.40 2ae8 s GLY 90 Ca 0.02 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.81 2ae8 s GLY 90 CO 0.01 0.01 0.18 -1.59 0.00 0.00 0.00 173.10 171.71 2ae8 s THR 91 N -0.08 0.33 -0.05 0.90 2.01 -1.26 0.17 115.64 117.66 2ae8 s THR 91 Ca -0.01 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 59.96 2ae8 s THR 91 Cb -0.01 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.07 2ae8 s THR 91 CO -0.00 0.00 0.11 -0.31 -0.69 0.00 0.00 174.62 173.73 2ae8 s TYR 93 N -3.45 -0.11 -0.10 4.92 1.51 -1.26 -4.81 117.35 114.04 2ae8 s TYR 93 Ca 0.33 0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.73 2ae8 s TYR 93 Cb 0.04 -0.06 0.02 0.00 -0.11 0.00 0.00 41.96 41.85 2ae8 s TYR 93 CO 0.19 -0.11 -0.07 0.42 -1.11 0.00 0.00 175.55 174.87 2ae8 s ILE 94 N 0.72 0.94 0.00 2.71 -1.09 -0.37 -4.99 121.20 119.10 2ae8 s ILE 94 Ca -0.05 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 2ae8 s ILE 94 Cb -0.07 -0.97 0.00 0.00 -1.58 0.00 0.00 42.46 39.84 2ae8 s ILE 94 CO -0.03 0.35 0.00 -0.81 -1.23 0.00 0.00 174.94 173.22 2ae8 n PRO 95 N 4.90 1.30 0.00 2.79 -0.04 -1.26 -1.55 135.00 141.13 2ae8 n PRO 95 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2ae8 n PRO 95 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.49 0.00 0.27 3.54 8.00 -1.26 -4.98 116.55 120.62 2ae8 n ASP 97 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2ae8 n ASP 97 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.82 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 -6.75 -1.24 9.09 -1.97 -3.44 114.58 110.28 2ae8 h GLU 98 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 2ae8 h GLU 98 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2ae8 h GLU 98 CO 0.00 0.03 0.28 0.99 0.05 0.00 0.00 179.01 180.35 2ae8 s THR 99 N -4.83 4.28 -0.06 -1.06 2.01 -1.26 -4.42 115.64 110.29 2ae8 s THR 99 Ca -0.05 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.70 2ae8 s THR 99 Cb 0.16 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.64 2ae8 s THR 99 CO 0.63 0.27 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.58 2ae8 s LEU 100 N -1.75 1.08 0.08 4.42 2.96 -0.29 -4.37 118.68 120.81 2ae8 s LEU 100 Ca 0.45 -0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.31 2ae8 s LEU 100 Cb -0.20 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2ae8 s LEU 100 CO 0.25 -0.10 -0.26 0.00 -1.32 0.00 0.00 176.35 174.92 2ae8 s ALA 101 N 1.34 2.21 -0.06 5.97 0.00 -0.60 -0.34 121.76 130.28 2ae8 s ALA 101 Ca -0.04 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.65 2ae8 s ALA 101 Cb -0.13 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 2ae8 s ALA 101 CO -0.02 0.51 -0.22 0.50 0.00 0.00 0.00 175.76 176.52 2ae8 s ARG 102 N -1.59 2.40 -0.07 0.00 3.52 0.29 -1.24 118.95 122.26 2ae8 s ARG 102 Ca 0.12 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2ae8 s ARG 102 Cb -0.10 -1.98 0.01 0.00 -1.56 0.00 0.00 34.95 31.32 2ae8 s ARG 102 CO 0.04 0.28 -0.16 0.08 -0.81 0.00 0.00 175.30 174.73 2ae8 s VAL 103 N 0.05 1.40 -0.18 7.11 1.01 -1.26 -0.68 120.40 127.85 2ae8 s VAL 103 Ca -0.08 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2ae8 s VAL 103 Cb -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2ae8 s VAL 103 CO 0.04 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 174.73 2ae8 s VAL 104 N 0.44 2.74 -0.02 2.92 1.01 -0.28 -4.24 120.40 122.97 2ae8 s VAL 104 Ca -0.13 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.19 2ae8 s VAL 104 Cb -0.15 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2ae8 s VAL 104 CO 0.04 0.50 -0.24 0.68 0.00 0.00 0.00 175.10 176.08 2ae8 s VAL 105 N 1.06 2.25 -0.17 2.92 -7.23 0.13 -1.27 120.40 118.08 2ae8 s VAL 105 Ca -0.01 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2ae8 s VAL 105 Cb -0.15 -1.80 0.05 0.00 0.56 0.00 0.00 36.38 35.04 2ae8 s VAL 105 CO -0.03 0.57 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.68 2ae8 s ASP 106 N -0.68 2.82 -1.12 4.85 2.15 0.36 -0.80 116.67 124.24 2ae8 s ASP 106 Ca 0.10 -0.70 -0.22 0.00 0.43 0.00 0.00 52.55 52.16 2ae8 s ASP 106 Cb -0.10 -0.79 -0.04 0.00 -0.30 0.00 0.00 42.92 41.69 2ae8 s ASP 106 CO -0.00 -0.23 1.87 -0.63 -0.17 0.00 0.00 175.17 176.01 2ae8 s ILE 107 N 1.72 3.64 -0.02 4.11 1.01 -0.33 -1.12 121.20 130.21 2ae8 s ILE 107 Ca -0.00 -0.94 0.13 0.00 0.00 0.00 0.00 60.65 59.84 2ae8 s ILE 107 Cb -0.16 -4.57 -0.19 0.00 0.01 0.00 0.00 42.46 37.55 2ae8 s ILE 107 CO -0.07 -1.21 0.26 -1.54 0.00 0.00 0.00 174.94 172.38 2ae8 n SER 108 N 12.95 2.12 0.00 3.58 3.41 -1.25 -4.94 113.62 129.49 2ae8 n SER 108 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2ae8 n SER 108 Cb 0.47 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.95 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 1.82 0.92 3.22 5.00 0.00 -0.27 -5.01 105.19 110.87 2ae8 n GLY 109 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.08 2.53 -0.10 1.61 0.52 -1.22 -4.92 118.95 117.29 2ae8 s ARG 110 Ca 0.00 -1.77 -0.29 0.00 -0.52 0.00 0.00 55.73 53.15 2ae8 s ARG 110 Cb 0.00 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 2ae8 s ARG 110 CO 0.00 -1.21 1.56 -2.14 0.02 0.00 0.00 175.30 173.53 2ae8 s PRO 111 N 1.38 4.14 -0.29 3.54 0.02 -1.26 -3.30 135.00 139.24 2ae8 s PRO 111 Ca 0.06 2.01 -0.13 0.00 0.02 0.00 0.00 61.00 62.95 2ae8 s PRO 111 Cb -0.27 -3.94 0.11 0.00 0.02 0.00 0.00 34.50 30.42 2ae8 s PRO 111 CO -0.00 -0.87 0.70 -0.47 -0.33 0.00 0.00 177.00 176.03 2ae8 s TYR 112 N 4.07 -1.15 -0.17 6.54 5.04 -0.46 -4.96 117.35 126.26 2ae8 s TYR 112 Ca 0.69 2.13 -0.00 0.00 -2.44 0.00 0.00 57.07 57.45 2ae8 s TYR 112 Cb -0.30 0.69 -0.00 0.00 0.35 0.00 0.00 41.96 42.70 2ae8 s TYR 112 CO 0.26 -0.57 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.59 2ae8 s LEU 113 N 2.21 2.51 -0.39 6.97 2.96 -1.26 -0.83 118.68 130.84 2ae8 s LEU 113 Ca -0.08 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 2ae8 s LEU 113 Cb -0.08 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.10 2ae8 s LEU 113 CO -0.19 0.06 0.20 -0.55 -1.32 0.00 0.00 176.35 174.55 2ae8 s SER 114 N 0.96 5.47 -0.29 3.68 0.15 0.09 -5.01 113.70 118.76 2ae8 s SER 114 Ca -0.02 -1.49 -0.07 0.00 0.70 0.00 0.00 55.95 55.07 2ae8 s SER 114 Cb -0.15 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2ae8 s SER 114 CO -0.02 -0.48 0.09 0.12 1.20 0.00 0.00 173.24 174.15 2ae8 s PHE 115 N 1.37 3.14 -0.50 3.44 5.36 -1.26 -0.25 117.98 129.29 2ae8 s PHE 115 Ca 0.02 -0.87 0.05 0.00 -0.96 0.00 0.00 56.93 55.18 2ae8 s PHE 115 Cb -0.22 -2.27 0.20 0.00 -0.34 0.00 0.00 43.02 40.39 2ae8 s PHE 115 CO 0.01 -0.54 0.46 0.09 -1.46 0.00 0.00 175.22 173.78 2ae8 n ASN 116 N 4.89 0.95 -3.23 6.13 3.02 0.00 -4.98 115.26 122.04 2ae8 n ASN 116 Ca -0.15 -2.76 -0.01 0.00 -0.03 0.00 0.00 54.58 51.63 2ae8 n ASN 116 Cb 0.48 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 2ae8 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ae8 s ALA 117 N -0.86 -1.79 -0.46 5.41 0.00 -1.26 -1.50 121.76 121.30 2ae8 s ALA 117 Ca 0.32 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.49 2ae8 s ALA 117 Cb 0.06 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 21.22 2ae8 s ALA 117 CO -0.15 -1.33 0.65 -1.12 0.00 0.00 0.00 175.76 173.80 2ae8 s SER 118 N 2.73 6.29 0.31 0.00 0.01 -1.26 -5.02 113.70 116.76 2ae8 s SER 118 Ca 0.17 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 56.68 2ae8 s SER 118 Cb -0.15 -2.31 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 2ae8 s SER 118 CO -0.19 -0.82 0.91 -0.76 0.41 0.00 0.00 173.24 172.78 2ae8 s LEU 119 N 2.81 4.34 0.40 2.44 1.43 -1.26 -4.97 118.68 123.87 2ae8 s LEU 119 Ca 0.21 1.78 0.19 0.00 -1.03 0.00 0.00 54.13 55.28 2ae8 s LEU 119 Cb -0.15 -3.95 0.79 0.00 0.03 0.00 0.00 46.19 42.90 2ae8 s LEU 119 CO 0.17 -0.05 1.79 0.28 0.23 0.00 0.00 176.35 178.77 2ae8 h SER 120 N 3.21 0.00 -4.64 2.29 0.02 -1.92 -3.45 113.55 109.06 2ae8 h SER 120 Ca -0.47 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.22 2ae8 h SER 120 Cb 1.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.55 2ae8 h SER 120 CO 0.65 0.34 -0.72 -0.54 -1.14 0.00 0.00 176.83 175.42 2ae8 s LYS 121 N -3.75 0.70 0.38 3.45 -0.14 -1.26 -5.02 119.74 114.10 2ae8 s LYS 121 Ca -0.01 -1.04 0.20 0.00 -1.36 0.00 0.00 55.97 53.77 2ae8 s LYS 121 Cb 0.12 -0.31 0.49 0.00 -1.68 0.00 0.00 37.83 36.45 2ae8 s LYS 121 CO 0.68 0.03 1.64 0.93 -0.76 0.00 0.00 175.35 177.87 2ae8 h GLU 122 N 3.78 0.00 -4.21 1.68 5.08 -1.96 -3.44 114.58 115.51 2ae8 h GLU 122 Ca -0.36 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.76 2ae8 h GLU 122 Cb 1.19 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.20 2ae8 h GLU 122 CO 0.51 0.31 -0.72 0.15 -1.00 0.00 0.00 179.01 178.26 2ae8 s LYS 123 N -3.31 0.36 -0.25 2.33 1.02 -1.26 -1.58 119.74 117.05 2ae8 s LYS 123 Ca 0.03 -0.50 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2ae8 s LYS 123 Cb 0.08 -0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.28 2ae8 s LYS 123 CO 0.68 0.02 -0.04 0.14 -0.92 0.00 0.00 175.35 175.23 2ae8 s VAL 124 N -0.98 3.04 0.00 3.17 -7.23 -0.58 -4.91 120.40 112.90 2ae8 s VAL 124 Ca -0.08 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2ae8 s VAL 124 Cb -0.07 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2ae8 s VAL 124 CO -0.00 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 2ae8 n GLY 125 N 4.70 4.00 0.90 2.32 0.00 -1.26 -1.09 105.19 114.76 2ae8 n GLY 125 Ca -0.16 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.01 -2.89 2.61 -2.24 -1.26 -4.94 114.28 105.57 2ae8 n THR 126 Ca 0.00 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 2ae8 n THR 126 Cb 0.00 1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.99 3.33 -0.09 4.78 5.36 -0.25 -5.00 117.98 124.12 2ae8 s PHE 127 Ca 0.30 1.15 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 2ae8 s PHE 127 Cb 0.20 -3.04 -0.05 0.00 -0.34 0.00 0.00 43.02 39.79 2ae8 s PHE 127 CO 0.30 -0.37 1.69 -0.51 -1.46 0.00 0.00 175.22 174.87 2ae8 s ASP 128 N 1.31 6.55 0.45 6.13 -0.00 -1.26 -1.53 116.67 128.31 2ae8 s ASP 128 Ca 0.35 2.12 0.22 0.00 -0.00 0.00 0.00 52.55 55.24 2ae8 s ASP 128 Cb -0.15 -2.53 1.07 0.00 -0.00 0.00 0.00 42.92 41.30 2ae8 s ASP 128 CO 0.08 -1.04 1.92 0.74 -0.00 0.00 0.00 175.17 176.87 2ae8 h THR 129 N 5.76 0.79 0.00 -1.27 2.02 -1.58 -1.48 112.91 117.15 2ae8 h THR 129 Ca -0.39 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2ae8 h THR 129 Cb 1.18 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2ae8 h THR 129 CO 0.96 0.23 0.00 -1.84 0.37 0.00 0.00 175.52 175.24 2ae8 n GLU 130 N -3.71 0.10 0.25 6.66 0.28 -1.26 -2.20 120.64 120.77 2ae8 n GLU 130 Ca -0.01 0.52 0.15 0.00 -0.16 0.00 0.00 57.16 57.65 2ae8 n GLU 130 Cb 0.35 -1.78 0.50 0.00 1.43 0.00 0.00 31.44 31.94 2ae8 n GLU 130 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2ae8 h LEU 131 N 0.00 0.00 -0.02 -1.84 3.38 -1.66 -3.28 115.31 111.89 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 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ae8 h LEU 131 CO 0.00 0.04 0.01 0.58 0.09 0.00 0.00 178.44 179.16 2ae8 h VAL 132 N 0.00 1.11 -0.86 1.22 2.07 -1.64 0.87 116.25 119.01 2ae8 h VAL 132 Ca -0.00 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.24 2ae8 h VAL 132 Cb 0.69 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2ae8 h VAL 132 CO 0.01 0.09 0.55 -0.08 0.02 0.00 0.00 177.57 178.15 2ae8 h GLU 133 N -0.10 1.03 -0.77 1.57 4.81 -1.78 -1.88 114.58 117.46 2ae8 h GLU 133 Ca 0.01 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2ae8 h GLU 133 Cb 0.13 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2ae8 h GLU 133 CO -0.00 0.68 0.33 0.93 -0.73 0.00 0.00 179.01 180.22 2ae8 h GLU 134 N 1.07 1.14 0.43 1.92 4.39 -1.53 -0.65 114.58 121.35 2ae8 h GLU 134 Ca 0.35 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2ae8 h GLU 134 Cb 0.03 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2ae8 h GLU 134 CO -0.12 0.91 -0.22 0.35 -1.16 0.00 0.00 179.01 178.77 2ae8 h PHE 135 N 1.12 -0.57 -0.40 4.33 3.57 -0.45 -2.38 116.94 122.16 2ae8 h PHE 135 Ca 0.26 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2ae8 h PHE 135 Cb 0.18 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2ae8 h PHE 135 CO 0.02 -0.35 0.00 0.74 -2.23 0.00 0.00 178.31 176.49 2ae8 h PHE 136 N -0.60 0.67 -0.41 0.41 0.04 -1.06 -1.55 116.94 114.44 2ae8 h PHE 136 Ca -0.06 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.58 2ae8 h PHE 136 Cb 0.47 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2ae8 h PHE 136 CO -0.06 0.64 0.05 -0.09 -0.60 0.00 0.00 178.31 178.25 2ae8 h ARG 137 N 0.61 0.69 0.02 1.51 2.43 -1.12 0.24 114.38 118.75 2ae8 h ARG 137 Ca 0.13 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2ae8 h ARG 137 Cb 0.38 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2ae8 h ARG 137 CO 0.01 0.75 -0.16 0.00 -1.51 0.00 0.00 179.97 179.06 2ae8 h ALA 138 N 0.92 -0.21 0.41 2.80 0.00 -0.97 -1.21 119.26 121.00 2ae8 h ALA 138 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ae8 h ALA 138 Cb 0.40 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ae8 h ALA 138 CO 0.01 -0.66 -0.25 0.28 0.00 0.00 0.00 179.25 178.63 2ae8 h VAL 139 N -0.28 0.48 -0.31 0.00 2.07 -1.18 -2.63 116.25 114.40 2ae8 h VAL 139 Ca 0.05 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2ae8 h VAL 139 Cb 0.33 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2ae8 h VAL 139 CO -0.14 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 177.99 2ae8 h VAL 140 N -0.63 1.27 -0.42 2.57 2.07 -0.87 0.61 116.25 120.84 2ae8 h VAL 140 Ca -0.05 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 2ae8 h VAL 140 Cb 0.52 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2ae8 h VAL 140 CO 0.05 0.33 0.04 0.40 0.02 0.00 0.00 177.57 178.41 2ae8 h ILE 141 N 0.36 1.25 0.00 4.57 1.08 -1.30 -1.22 117.51 122.25 2ae8 h ILE 141 Ca 0.08 -0.94 -0.12 0.00 -0.39 0.00 0.00 64.86 63.49 2ae8 h ILE 141 Cb 0.50 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2ae8 h ILE 141 CO 0.02 0.32 -0.59 0.78 -0.69 0.00 0.00 178.15 178.00 2ae8 h ASN 142 N 0.57 0.00 0.49 1.72 2.35 -1.37 -2.59 115.58 116.75 2ae8 h ASN 142 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2ae8 h ASN 142 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2ae8 h ASN 142 CO 0.01 0.59 -0.03 0.00 -1.65 0.00 0.00 177.43 176.35 2ae8 n ALA 143 N -2.28 2.57 -3.59 -0.83 0.00 0.20 -3.92 120.51 112.65 2ae8 n ALA 143 Ca 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2ae8 n ALA 143 Cb 0.72 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.20 -7.19 -3.96 0.00 1.74 -0.79 -4.53 116.66 100.74 2ae8 n ARG 144 Ca 0.15 0.80 -0.27 0.00 -0.77 0.00 0.00 57.85 57.75 2ae8 n ARG 144 Cb 0.24 -5.80 -0.04 0.00 -1.02 0.00 0.00 32.46 25.84 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 -7.01 4.26 -0.26 0.55 1.43 -0.53 -1.11 118.68 116.02 2ae8 s LEU 145 Ca 0.40 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2ae8 s LEU 145 Cb -0.18 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2ae8 s LEU 145 CO 0.75 0.09 0.13 0.28 0.23 0.00 0.00 176.35 177.82 2ae8 s THR 146 N -1.67 4.87 0.01 5.49 -1.32 -0.27 -1.36 115.64 121.39 2ae8 s THR 146 Ca 0.34 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.87 2ae8 s THR 146 Cb -0.11 -3.29 -0.01 0.00 -1.51 0.00 0.00 72.50 67.57 2ae8 s THR 146 CO 0.28 0.31 -0.09 0.28 -2.21 0.00 0.00 174.62 173.18 2ae8 s THR 147 N 1.54 0.72 -0.16 5.08 -1.32 -0.01 -0.49 115.64 120.99 2ae8 s THR 147 Ca 0.06 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2ae8 s THR 147 Cb -0.15 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2ae8 s THR 147 CO 0.07 0.02 -0.16 -1.00 -2.21 0.00 0.00 174.62 171.33 2ae8 s HIS 148 N -0.58 2.77 -0.18 9.09 3.76 -0.40 -0.73 115.29 129.02 2ae8 s HIS 148 Ca 0.00 -1.16 -0.04 0.00 -0.15 0.00 0.00 55.06 53.72 2ae8 s HIS 148 Cb -0.06 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 2ae8 s HIS 148 CO 0.00 -0.54 -0.03 0.42 -0.85 0.00 0.00 174.74 173.74 2ae8 s ILE 149 N 0.91 3.72 -0.09 0.60 1.01 0.66 -1.13 121.20 126.88 2ae8 s ILE 149 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2ae8 s ILE 149 Cb -0.15 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.69 2ae8 s ILE 149 CO -0.02 0.46 -0.05 -1.81 0.00 0.00 0.00 174.94 173.52 2ae8 s ASP 150 N 0.84 1.86 -0.55 3.58 1.01 0.14 -0.82 116.67 122.73 2ae8 s ASP 150 Ca -0.01 -0.21 -0.21 0.00 0.71 0.00 0.00 52.55 52.84 2ae8 s ASP 150 Cb -0.14 -0.66 0.06 0.00 1.01 0.00 0.00 42.92 43.18 2ae8 s ASP 150 CO 0.02 -0.14 0.77 -0.22 0.21 0.00 0.00 175.17 175.81 2ae8 s LEU 151 N 1.72 4.69 0.09 1.23 0.20 -0.56 -0.55 118.68 125.49 2ae8 s LEU 151 Ca 0.03 -0.82 -0.16 0.00 0.69 0.00 0.00 54.13 53.87 2ae8 s LEU 151 Cb -0.13 -2.54 -0.09 0.00 -0.43 0.00 0.00 46.19 43.01 2ae8 s LEU 151 CO -0.06 -1.09 1.44 0.40 -0.29 0.00 0.00 176.35 176.75 2ae8 h ILE 152 N 5.93 1.30 -3.16 6.68 2.04 -1.01 -3.46 117.51 125.84 2ae8 h ILE 152 Ca -0.28 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.19 2ae8 h ILE 152 Cb 1.08 1.55 -0.17 0.00 -0.74 0.00 0.00 36.82 38.54 2ae8 h ILE 152 CO 1.05 0.41 -0.20 0.00 0.00 0.00 0.00 178.15 179.41 2ae8 s ARG 153 N -4.51 0.83 0.00 2.37 1.70 -1.11 -4.96 118.95 113.27 2ae8 s ARG 153 Ca -0.13 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 2ae8 s ARG 153 Cb 0.08 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2ae8 s ARG 153 CO 0.80 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 175.16 2ae8 n GLY 154 N 0.65 5.18 0.00 3.88 0.00 -1.26 -1.14 105.19 112.50 2ae8 n GLY 154 Ca -0.19 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 0.16 3.56 -0.02 0.00 -1.26 -4.57 105.19 103.06 2ae8 n GLY 155 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 5.36 0.20 1.61 3.84 -1.26 -4.82 114.94 119.87 2ae8 s ASN 156 Ca 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 52.86 53.00 2ae8 s ASN 156 Cb 0.00 -1.92 0.13 0.00 -0.55 0.00 0.00 41.25 38.91 2ae8 s ASN 156 CO 0.00 0.12 1.55 0.74 -2.79 0.00 0.00 177.10 176.72 2ae8 h THR 157 N 5.10 1.29 -0.36 -5.21 2.02 -1.96 0.07 112.91 113.86 2ae8 h THR 157 Ca -0.36 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2ae8 h THR 157 Cb 1.17 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2ae8 h THR 157 CO 0.65 0.51 0.24 -0.74 0.37 0.00 0.00 175.52 176.55 2ae8 h HIS 158 N 0.56 0.45 -0.75 3.16 -0.00 -1.95 -1.17 115.15 115.44 2ae8 h HIS 158 Ca 0.05 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 2ae8 h HIS 158 Cb 0.93 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 28.16 2ae8 h HIS 158 CO 0.04 0.28 0.28 0.45 -0.00 0.00 0.00 177.93 178.98 2ae8 h HIS 159 N 0.48 1.14 -0.20 5.26 3.86 -1.90 -1.26 115.15 122.54 2ae8 h HIS 159 Ca 0.13 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2ae8 h HIS 159 Cb -0.05 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 2ae8 h HIS 159 CO -0.05 0.88 0.11 0.93 0.86 0.00 0.00 177.93 180.66 2ae8 h GLU 160 N 1.09 0.27 -0.14 2.45 5.08 -0.61 -0.70 114.58 122.02 2ae8 h GLU 160 Ca 0.25 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2ae8 h GLU 160 Cb 0.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2ae8 h GLU 160 CO -0.02 0.25 -0.07 0.82 -1.00 0.00 0.00 179.01 178.99 2ae8 h ILE 161 N 0.22 1.32 -0.54 3.13 2.04 -1.08 -2.50 117.51 120.10 2ae8 h ILE 161 Ca 0.07 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2ae8 h ILE 161 Cb 0.06 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 2ae8 h ILE 161 CO -0.01 0.33 0.32 -0.08 0.00 0.00 0.00 178.15 178.71 2ae8 h GLU 162 N -0.05 0.62 -0.62 2.37 4.81 -1.23 0.20 114.58 120.68 2ae8 h GLU 162 Ca 0.03 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2ae8 h GLU 162 Cb 0.55 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2ae8 h GLU 162 CO 0.02 0.41 0.38 0.00 -0.73 0.00 0.00 179.01 179.09 2ae8 h ALA 163 N 1.24 0.80 -0.15 2.92 0.00 -1.10 -0.05 119.26 122.92 2ae8 h ALA 163 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ae8 h ALA 163 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2ae8 h ALA 163 CO -0.10 0.12 0.09 0.82 0.00 0.00 0.00 179.25 180.17 2ae8 h ILE 164 N 0.74 1.10 -0.39 0.00 2.04 -0.95 -0.51 117.51 119.53 2ae8 h ILE 164 Ca 0.25 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ae8 h ILE 164 Cb 0.03 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2ae8 h ILE 164 CO -0.11 0.09 0.25 -0.26 0.00 0.00 0.00 178.15 178.13 2ae8 h PHE 165 N 0.15 0.50 -0.47 1.37 0.04 -0.67 -0.43 116.94 117.42 2ae8 h PHE 165 Ca 0.05 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2ae8 h PHE 165 Cb 0.07 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 2ae8 h PHE 165 CO -0.04 0.32 0.25 0.87 -0.60 0.00 0.00 178.31 179.11 2ae8 h LYS 166 N 0.53 0.67 -0.38 1.51 1.57 -0.89 -1.59 116.57 117.99 2ae8 h LYS 166 Ca 0.14 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2ae8 h LYS 166 Cb -0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2ae8 h LYS 166 CO -0.03 0.54 -0.09 0.00 -0.57 0.00 0.00 179.45 179.30 2ae8 h ALA 167 N 1.09 0.52 -0.52 3.86 0.00 -0.95 -1.50 119.26 121.77 2ae8 h ALA 167 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2ae8 h ALA 167 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2ae8 h ALA 167 CO -0.02 0.38 0.29 0.35 0.00 0.00 0.00 179.25 180.24 2ae8 h PHE 168 N 0.53 0.71 -0.43 0.00 3.57 -1.01 -1.03 116.94 119.28 2ae8 h PHE 168 Ca 0.10 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2ae8 h PHE 168 Cb 0.60 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2ae8 h PHE 168 CO 0.05 0.52 0.17 0.77 -2.23 0.00 0.00 178.31 177.59 2ae8 h SER 169 N 0.69 0.59 -0.28 0.41 0.02 -1.16 0.50 113.55 114.32 2ae8 h SER 169 Ca 0.18 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2ae8 h SER 169 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2ae8 h SER 169 CO -0.03 0.60 -0.23 0.03 -1.14 0.00 0.00 176.83 176.06 2ae8 h ARG 170 N 0.55 0.64 -0.72 3.45 3.08 -1.21 -1.48 114.38 118.69 2ae8 h ARG 170 Ca 0.14 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.90 2ae8 h ARG 170 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2ae8 h ARG 170 CO -0.01 0.92 0.46 0.00 -1.07 0.00 0.00 179.97 180.27 2ae8 h ALA 171 N 0.71 0.94 0.18 0.04 0.00 -0.97 0.01 119.26 120.17 2ae8 h ALA 171 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ae8 h ALA 171 Cb 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ae8 h ALA 171 CO 0.06 0.27 -0.09 1.25 0.00 0.00 0.00 179.25 180.74 2ae8 h LEU 172 N 0.91 -0.20 -0.88 0.00 5.85 -0.78 -0.96 115.31 119.26 2ae8 h LEU 172 Ca 0.28 -0.12 0.18 0.00 0.84 0.00 0.00 57.88 59.06 2ae8 h LEU 172 Cb -0.02 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 2ae8 h LEU 172 CO -0.10 0.00 0.44 1.23 -0.34 0.00 0.00 178.44 179.67 2ae8 h GLY 173 N -0.40 1.47 0.83 3.75 0.00 -1.05 0.20 103.07 107.87 2ae8 h GLY 173 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2ae8 h GLY 173 CO 0.04 -0.13 0.03 -2.22 0.00 0.00 0.00 176.54 174.27 2ae8 h ILE 174 N 0.55 1.22 -0.28 2.60 2.04 -0.81 -2.99 117.51 119.84 2ae8 h ILE 174 Ca 0.51 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2ae8 h ILE 174 Cb 0.83 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2ae8 h ILE 174 CO -0.43 0.22 0.04 0.00 0.00 0.00 0.00 178.15 177.98 2ae8 h ALA 175 N 0.83 1.56 0.00 1.87 0.00 0.06 -2.62 119.26 120.95 2ae8 h ALA 175 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ae8 h ALA 175 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ae8 h ALA 175 CO 0.00 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.86 2ae8 n LEU 176 N -4.36 0.00 -4.68 0.00 4.77 0.58 -0.52 117.00 112.79 2ae8 n LEU 176 Ca 0.01 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 2ae8 n LEU 176 Cb 0.18 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2ae8 n LEU 176 CO 0.37 -0.05 1.49 0.41 -1.33 0.00 0.00 177.39 178.29 2ae8 n THR 177 N -1.49 0.46 -1.98 -5.08 -1.04 -0.99 -4.74 114.28 99.42 2ae8 n THR 177 Ca 0.06 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.05 61.60 2ae8 n THR 177 Cb 0.30 -2.12 0.01 0.00 -1.82 0.00 0.00 70.33 66.71 2ae8 n THR 177 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ae8 s ALA 178 N 3.16 3.09 -0.84 2.41 0.00 -1.26 -0.30 121.76 128.02 2ae8 s ALA 178 Ca 0.84 1.24 0.07 0.00 0.00 0.00 0.00 51.96 54.11 2ae8 s ALA 178 Cb -0.50 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.17 2ae8 s ALA 178 CO 0.40 -1.00 0.71 0.25 0.00 0.00 0.00 175.76 176.12