#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 2.80 0.08 1.39 1.51 -0.34 -4.98 117.35 117.81 2ae8 s TYR 3 Ca 0.00 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.38 2ae8 s TYR 3 Cb 0.00 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2ae8 s TYR 3 CO 0.00 -0.13 0.32 1.14 -1.11 0.00 0.00 175.55 175.77 2ae8 s GLN 4 N 0.14 0.91 0.08 -0.62 -2.07 -1.26 0.10 119.66 116.94 2ae8 s GLN 4 Ca -0.07 -0.67 -0.27 0.00 -1.82 0.00 0.00 55.36 52.54 2ae8 s GLN 4 Cb -0.15 0.39 0.08 0.00 -1.09 0.00 0.00 33.01 32.25 2ae8 s GLN 4 CO 0.05 -0.32 0.95 -1.59 -1.32 0.00 0.00 175.29 173.06 2ae8 s LYS 5 N -3.27 1.00 0.21 9.60 -2.85 -0.65 -5.00 119.74 118.78 2ae8 s LYS 5 Ca -0.00 -0.49 0.08 0.00 -1.00 0.00 0.00 55.97 54.55 2ae8 s LYS 5 Cb 0.01 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2ae8 s LYS 5 CO -0.08 -0.45 0.05 -0.65 0.10 0.00 0.00 175.35 174.32 2ae8 s GLN 6 N -3.17 2.52 -0.50 1.78 -0.21 -1.26 -1.75 119.66 117.08 2ae8 s GLN 6 Ca 0.10 -1.16 0.06 0.00 0.02 0.00 0.00 55.36 54.37 2ae8 s GLN 6 Cb -0.01 -2.37 0.22 0.00 1.00 0.00 0.00 33.01 31.86 2ae8 s GLN 6 CO -0.02 0.42 0.84 -2.13 -2.12 0.00 0.00 175.29 172.28 2ae8 n ARG 7 N -0.57 0.70 -0.77 2.91 0.63 -0.39 -5.01 116.66 114.15 2ae8 n ARG 7 Ca -0.08 -1.82 0.02 0.00 -0.92 0.00 0.00 57.85 55.05 2ae8 n ARG 7 Cb 0.57 -1.46 -0.01 0.00 0.45 0.00 0.00 32.46 32.01 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 2.07 -0.22 -3.90 5.15 5.66 -1.26 -2.40 114.28 119.37 2ae8 n THR 12 Ca 0.12 0.16 -0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2ae8 n THR 12 Cb 0.61 -0.25 -0.15 0.00 -1.55 0.00 0.00 70.33 68.99 2ae8 n THR 12 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2ae8 s GLN 13 N -4.70 0.12 -0.10 1.09 0.74 0.21 -4.98 119.66 112.04 2ae8 s GLN 13 Ca 0.00 0.04 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 2ae8 s GLN 13 Cb 0.00 -0.23 0.03 0.00 1.10 0.00 0.00 33.01 33.91 2ae8 s GLN 13 CO 0.00 -0.06 -0.01 -1.17 -0.55 0.00 0.00 175.29 173.50 2ae8 s LEU 14 N 0.48 0.80 -0.16 3.68 0.20 -1.01 -1.12 118.68 121.56 2ae8 s LEU 14 Ca -0.04 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.57 2ae8 s LEU 14 Cb -0.07 -0.55 0.02 0.00 -0.43 0.00 0.00 46.19 45.16 2ae8 s LEU 14 CO -0.01 -0.19 -0.17 0.21 -0.29 0.00 0.00 176.35 175.89 2ae8 s ASN 15 N 1.90 2.88 -0.02 3.68 2.47 0.82 -1.26 114.94 125.42 2ae8 s ASN 15 Ca 0.04 -0.56 0.02 0.00 0.42 0.00 0.00 52.86 52.78 2ae8 s ASN 15 Cb -0.13 -1.32 0.01 0.00 -1.45 0.00 0.00 41.25 38.36 2ae8 s ASN 15 CO -0.06 -0.01 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.62 2ae8 s ILE 16 N 1.27 0.51 0.05 -5.21 1.01 -0.72 -0.59 121.20 117.52 2ae8 s ILE 16 Ca 0.02 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.54 2ae8 s ILE 16 Cb -0.13 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 2ae8 s ILE 16 CO -0.10 0.18 -0.18 -0.94 0.00 0.00 0.00 174.94 173.90 2ae8 s SER 17 N 0.34 2.15 0.04 3.58 1.04 -0.51 -1.64 113.70 118.71 2ae8 s SER 17 Ca -0.04 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 55.92 2ae8 s SER 17 Cb -0.08 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 2ae8 s SER 17 CO -0.00 0.10 -0.13 -0.51 0.98 0.00 0.00 173.24 173.67 2ae8 s ILE 18 N -0.86 1.06 -0.11 -1.02 2.07 0.11 -1.46 121.20 120.98 2ae8 s ILE 18 Ca 0.05 -1.04 -0.24 0.00 -1.41 0.00 0.00 60.65 58.01 2ae8 s ILE 18 Cb -0.09 -0.98 0.06 0.00 0.13 0.00 0.00 42.46 41.58 2ae8 s ILE 18 CO 0.02 -0.06 0.58 -0.55 -1.91 0.00 0.00 174.94 173.02 2ae8 s SER 19 N -1.25 -0.56 -0.59 4.50 0.15 -0.65 -1.20 113.70 114.10 2ae8 s SER 19 Ca 0.00 0.79 -0.02 0.00 0.70 0.00 0.00 55.95 57.42 2ae8 s SER 19 Cb -0.08 0.77 0.28 0.00 -1.71 0.00 0.00 66.02 65.27 2ae8 s SER 19 CO 0.01 -0.42 2.22 -0.67 1.20 0.00 0.00 173.24 175.58 2ae8 n ASP 20 N 1.70 7.10 -1.27 5.45 2.03 -1.26 -0.13 116.55 130.17 2ae8 n ASP 20 Ca -0.17 -3.51 0.00 0.00 0.52 0.00 0.00 54.79 51.63 2ae8 n ASP 20 Cb 0.56 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 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 -0.10 1.08 -1.39 1.67 5.68 -1.26 -5.00 116.55 117.23 2ae8 n ASP 21 Ca 0.50 -0.64 -0.10 0.00 -0.50 0.00 0.00 54.79 54.05 2ae8 n ASP 21 Cb 0.50 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.29 2.33 -1.71 0.11 0.00 -1.26 -4.14 117.38 112.41 2ae8 n GLN 22 Ca 0.00 -3.49 -0.35 0.00 -0.00 0.00 0.00 57.00 53.16 2ae8 n GLN 22 Cb 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 30.24 28.36 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 -2.90 4.70 0.63 1.69 1.04 -1.26 -4.97 113.70 112.63 2ae8 s SER 23 Ca 0.47 2.34 -0.19 0.00 0.48 0.00 0.00 55.95 59.05 2ae8 s SER 23 Cb 0.41 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 2ae8 s SER 23 CO -0.01 -1.92 1.29 -2.16 0.98 0.00 0.00 173.24 171.42 2ae8 s PRO 24 N -3.69 2.69 -0.16 4.02 0.04 -1.26 -4.74 135.00 131.90 2ae8 s PRO 24 Ca 0.75 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.78 2ae8 s PRO 24 Cb -0.29 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2ae8 s PRO 24 CO 0.40 -1.49 0.05 -1.12 0.04 0.00 0.00 177.00 174.88 2ae8 s SER 25 N -1.37 5.55 -0.27 6.66 0.01 -1.26 -4.79 113.70 118.23 2ae8 s SER 25 Ca 0.81 0.10 -0.02 0.00 1.31 0.00 0.00 55.95 58.15 2ae8 s SER 25 Cb -0.37 -1.88 0.03 0.00 0.21 0.00 0.00 66.02 64.01 2ae8 s SER 25 CO 0.40 0.23 -0.03 -2.28 0.41 0.00 0.00 173.24 171.96 2ae8 s HIS 26 N 0.06 3.15 -0.24 2.43 5.04 -1.04 -5.00 115.29 119.69 2ae8 s HIS 26 Ca 0.05 -1.66 0.02 0.00 -1.54 0.00 0.00 55.06 51.93 2ae8 s HIS 26 Cb -0.12 -2.08 0.05 0.00 0.04 0.00 0.00 32.58 30.46 2ae8 s HIS 26 CO 0.01 -0.75 -0.13 0.42 -2.34 0.00 0.00 174.74 171.95 2ae8 s ILE 27 N 1.30 2.17 -0.40 0.89 1.01 -1.26 0.13 121.20 125.04 2ae8 s ILE 27 Ca -0.02 -1.44 0.02 0.00 0.00 0.00 0.00 60.65 59.21 2ae8 s ILE 27 Cb -0.18 -2.18 0.15 0.00 0.01 0.00 0.00 42.46 40.26 2ae8 s ILE 27 CO -0.03 0.12 0.27 0.21 0.00 0.00 0.00 174.94 175.52 2ae8 s ASN 28 N 1.16 2.52 0.11 3.58 2.47 -0.55 -4.93 114.94 119.29 2ae8 s ASN 28 Ca -0.05 -2.64 0.23 0.00 0.42 0.00 0.00 52.86 50.82 2ae8 s ASN 28 Cb -0.18 -0.53 0.13 0.00 -1.45 0.00 0.00 41.25 39.22 2ae8 s ASN 28 CO -0.07 -0.24 1.12 0.35 -3.72 0.00 0.00 177.10 174.54 2ae8 n THR 29 N 3.45 0.34 -0.67 -5.21 -2.24 -1.26 -1.91 114.28 106.77 2ae8 n THR 29 Ca 0.19 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2ae8 n THR 29 Cb 0.41 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.31 0.84 2.96 3.38 0.00 -1.26 -4.76 105.19 107.66 2ae8 n GLY 30 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.34 1.66 0.14 1.61 1.01 -1.26 -5.04 120.40 115.18 2ae8 s VAL 31 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 2ae8 s VAL 31 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2ae8 s VAL 31 CO 0.00 -0.10 1.68 1.23 0.00 0.00 0.00 175.10 177.91 2ae8 h GLY 32 N 7.91 0.13 1.03 4.51 0.00 -2.00 -0.15 103.07 114.50 2ae8 h GLY 32 Ca -0.18 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2ae8 h GLY 32 CO 0.42 -0.13 0.28 -2.75 0.00 0.00 0.00 176.54 174.36 2ae8 h PHE 33 N -0.06 1.08 -0.60 5.60 3.57 -1.96 -2.37 116.94 122.20 2ae8 h PHE 33 Ca 0.13 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2ae8 h PHE 33 Cb 0.26 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2ae8 h PHE 33 CO -0.29 0.83 0.14 1.25 -2.23 0.00 0.00 178.31 178.02 2ae8 h LEU 34 N 1.01 0.87 -0.19 0.59 5.85 -1.82 -2.69 115.31 118.93 2ae8 h LEU 34 Ca 0.23 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2ae8 h LEU 34 Cb 0.22 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2ae8 h LEU 34 CO -0.02 0.85 -0.17 0.78 -0.34 0.00 0.00 178.44 179.53 2ae8 h ASN 35 N 0.89 -0.56 0.00 1.25 2.35 -0.61 -0.38 115.58 118.52 2ae8 h ASN 35 Ca 0.19 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2ae8 h ASN 35 Cb 0.32 0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2ae8 h ASN 35 CO -0.00 -0.22 0.00 1.41 -1.65 0.00 0.00 177.43 176.97 2ae8 n HIS 36 N -5.32 0.00 0.00 1.19 8.25 -0.93 -0.66 115.22 117.74 2ae8 n HIS 36 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2ae8 n HIS 36 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 0.21 0.00 -0.23 2.41 4.77 -0.15 -2.07 117.00 121.94 2ae8 n LEU 38 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2ae8 n LEU 38 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2ae8 n LEU 38 CO 0.00 0.00 1.14 0.74 -1.33 0.00 0.00 177.39 177.94 2ae8 h THR 39 N 0.00 1.13 -0.37 -5.08 2.02 -1.12 -1.82 112.91 107.67 2ae8 h THR 39 Ca 0.00 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2ae8 h THR 39 Cb 0.00 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2ae8 h THR 39 CO 0.00 0.16 0.23 -0.07 0.37 0.00 0.00 175.52 176.21 2ae8 h LEU 40 N 0.85 0.44 -0.73 2.58 3.38 -1.67 -2.67 115.31 117.48 2ae8 h LEU 40 Ca 0.25 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.31 2ae8 h LEU 40 Cb -0.04 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.51 2ae8 h LEU 40 CO -0.08 0.35 0.31 0.15 0.09 0.00 0.00 178.44 179.26 2ae8 h PHE 41 N 0.49 0.54 -0.29 1.13 3.57 -1.79 -1.28 116.94 119.31 2ae8 h PHE 41 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2ae8 h PHE 41 Cb -0.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2ae8 h PHE 41 CO -0.04 0.11 0.13 1.79 -2.23 0.00 0.00 178.31 178.07 2ae8 h THR 42 N 0.48 1.16 -0.22 4.41 1.35 -1.01 -0.97 112.91 118.12 2ae8 h THR 42 Ca 0.39 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 2ae8 h THR 42 Cb 0.55 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2ae8 h THR 42 CO -0.36 0.17 0.11 0.15 -0.25 0.00 0.00 175.52 175.33 2ae8 h PHE 43 N 0.33 0.32 0.00 4.73 3.57 -1.25 -1.10 116.94 123.54 2ae8 h PHE 43 Ca 0.10 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 2ae8 h PHE 43 Cb 0.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2ae8 h PHE 43 CO -0.01 0.32 -0.77 0.45 -2.23 0.00 0.00 178.31 176.07 2ae8 h HIS 44 N 0.22 0.00 0.00 0.41 3.86 -1.14 -3.20 115.15 115.31 2ae8 h HIS 44 Ca 0.08 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 2ae8 h HIS 44 Cb 0.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2ae8 h HIS 44 CO -0.02 0.61 -0.96 0.66 0.86 0.00 0.00 177.93 179.07 2ae8 h SER 45 N 0.00 0.00 0.00 2.45 4.64 -1.21 -3.31 113.55 116.11 2ae8 h SER 45 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2ae8 h SER 45 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2ae8 h SER 45 CO 0.07 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2ae8 n GLY 46 N 1.28 0.54 3.77 -0.77 0.00 -0.43 -4.43 105.19 105.15 2ae8 n GLY 46 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 4.30 0.01 0.99 1.43 -1.13 -4.51 118.68 119.78 2ae8 s LEU 47 Ca 0.00 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 2ae8 s LEU 47 Cb 0.00 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2ae8 s LEU 47 CO 0.00 0.18 0.91 -0.44 0.23 0.00 0.00 176.35 177.23 2ae8 s SER 48 N 0.00 7.31 -0.08 2.29 0.01 0.82 -4.37 113.70 119.69 2ae8 s SER 48 Ca 0.17 1.58 0.05 0.00 1.31 0.00 0.00 55.95 59.06 2ae8 s SER 48 Cb -0.13 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2ae8 s SER 48 CO 0.05 -0.18 -0.23 -0.76 0.41 0.00 0.00 173.24 172.54 2ae8 s LEU 49 N 0.70 2.03 -0.12 2.44 1.43 -1.26 -1.64 118.68 122.26 2ae8 s LEU 49 Ca 0.47 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2ae8 s LEU 49 Cb -0.21 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2ae8 s LEU 49 CO 0.26 0.18 -0.18 0.20 0.23 0.00 0.00 176.35 177.04 2ae8 s ASN 50 N 0.14 2.71 -0.06 2.29 0.01 -0.54 -2.49 114.94 117.00 2ae8 s ASN 50 Ca -0.11 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 51.55 2ae8 s ASN 50 Cb -0.16 -1.23 0.02 0.00 0.41 0.00 0.00 41.25 40.30 2ae8 s ASN 50 CO 0.06 0.04 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.01 2ae8 s ILE 51 N 0.91 0.66 -0.22 0.60 1.01 0.12 -1.43 121.20 122.85 2ae8 s ILE 51 Ca -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2ae8 s ILE 51 Cb -0.15 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 41.68 2ae8 s ILE 51 CO -0.01 0.27 -0.10 -1.61 0.00 0.00 0.00 174.94 173.49 2ae8 s GLU 52 N 1.20 2.01 -0.12 2.79 0.41 0.25 -1.49 118.70 123.76 2ae8 s GLU 52 Ca -0.06 -0.97 0.03 0.00 -0.41 0.00 0.00 54.97 53.56 2ae8 s GLU 52 Cb -0.14 -2.55 0.01 0.00 -1.78 0.00 0.00 34.13 29.67 2ae8 s GLU 52 CO -0.02 -0.48 -0.22 0.00 -0.49 0.00 0.00 175.26 174.05 2ae8 s ALA 53 N 1.34 2.11 -0.04 5.21 0.00 -0.80 -0.12 121.76 129.46 2ae8 s ALA 53 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2ae8 s ALA 53 Cb -0.17 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.07 2ae8 s ALA 53 CO -0.07 0.11 -0.11 -0.65 0.00 0.00 0.00 175.76 175.04 2ae8 s GLN 54 N 0.62 1.22 0.00 0.00 1.11 -0.27 -4.66 119.66 117.68 2ae8 s GLN 54 Ca -0.12 -0.36 0.00 0.00 0.01 0.00 0.00 55.36 54.88 2ae8 s GLN 54 Cb -0.17 -1.10 0.00 0.00 -1.01 0.00 0.00 33.01 30.74 2ae8 s GLN 54 CO 0.03 0.11 0.00 0.41 0.01 0.00 0.00 175.29 175.85 2ae8 n GLY 55 N 3.40 -1.21 0.05 3.09 0.00 -1.26 0.68 105.19 109.94 2ae8 n GLY 55 Ca -0.20 0.71 -0.05 0.00 0.00 0.00 0.00 46.02 46.48 2ae8 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ae8 n ASP 61 N 0.00 2.26 -0.07 1.61 10.43 -1.26 -5.03 116.55 124.48 2ae8 n ASP 61 Ca 0.00 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.23 2ae8 n ASP 61 Cb 0.00 0.79 -0.06 0.00 1.84 0.00 0.00 41.12 43.70 2ae8 n ASP 61 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 2ae8 h HIS 62 N 0.00 0.56 -0.21 1.24 2.76 -1.99 -0.87 115.15 116.64 2ae8 h HIS 62 Ca -0.29 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 57.67 2ae8 h HIS 62 Cb 1.66 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.49 2ae8 h HIS 62 CO 0.00 0.80 -0.06 0.45 -1.30 0.00 0.00 177.93 177.82 2ae8 h HIS 63 N 0.16 0.46 -0.01 5.26 3.86 -2.04 -0.49 115.15 122.36 2ae8 h HIS 63 Ca 0.04 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2ae8 h HIS 63 Cb 0.68 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 2ae8 h HIS 63 CO 0.07 0.65 -0.15 0.28 0.86 0.00 0.00 177.93 179.64 2ae8 h VAL 64 N 0.13 0.63 -0.31 2.45 2.07 -1.97 0.79 116.25 120.03 2ae8 h VAL 64 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2ae8 h VAL 64 Cb 0.51 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2ae8 h VAL 64 CO 0.02 0.00 0.20 0.74 0.02 0.00 0.00 177.57 178.56 2ae8 h THR 65 N -0.25 1.09 -0.57 2.57 2.02 -1.09 -1.21 112.91 115.46 2ae8 h THR 65 Ca 0.05 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 2ae8 h THR 65 Cb 0.32 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2ae8 h THR 65 CO -0.15 0.08 -0.03 -0.08 0.37 0.00 0.00 175.52 175.71 2ae8 h GLU 66 N 0.42 1.03 -0.38 6.66 4.81 -0.95 -2.28 114.58 123.88 2ae8 h GLU 66 Ca 0.11 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2ae8 h GLU 66 Cb -0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2ae8 h GLU 66 CO -0.02 1.03 0.22 -0.44 -0.73 0.00 0.00 179.01 179.07 2ae8 h ASP 67 N 0.91 0.47 -0.15 1.04 3.45 -0.45 -0.31 116.42 121.38 2ae8 h ASP 67 Ca 0.16 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 2ae8 h ASP 67 Cb 0.59 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 2ae8 h ASP 67 CO 0.04 0.41 0.09 0.40 -1.57 0.00 0.00 179.24 178.61 2ae8 h ILE 68 N 0.49 1.06 -0.85 0.35 2.04 -1.21 -2.05 117.51 117.35 2ae8 h ILE 68 Ca 0.14 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2ae8 h ILE 68 Cb 0.04 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2ae8 h ILE 68 CO -0.02 0.06 0.55 1.23 0.00 0.00 0.00 178.15 179.96 2ae8 h GLY 69 N 0.18 1.24 0.97 5.37 0.00 -1.11 0.78 103.07 110.50 2ae8 h GLY 69 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2ae8 h GLY 69 CO -0.01 0.34 0.22 -2.22 0.00 0.00 0.00 176.54 174.87 2ae8 h ILE 70 N 1.05 1.14 -0.09 2.60 2.04 -0.93 -0.38 117.51 122.94 2ae8 h ILE 70 Ca 0.34 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2ae8 h ILE 70 Cb 0.03 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2ae8 h ILE 70 CO -0.12 0.15 -0.05 0.58 0.00 0.00 0.00 178.15 178.71 2ae8 h VAL 71 N 0.50 1.32 -0.60 1.67 2.07 -1.07 -0.97 116.25 119.18 2ae8 h VAL 71 Ca 0.14 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.70 2ae8 h VAL 71 Cb 0.04 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 2ae8 h VAL 71 CO -0.02 0.30 0.10 0.40 0.02 0.00 0.00 177.57 178.37 2ae8 h ILE 72 N -0.17 0.61 -0.65 4.57 2.04 -0.84 -0.26 117.51 122.81 2ae8 h ILE 72 Ca 0.02 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2ae8 h ILE 72 Cb 0.50 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2ae8 h ILE 72 CO 0.01 0.04 0.38 1.23 0.00 0.00 0.00 178.15 179.82 2ae8 h GLY 73 N 0.23 0.95 0.96 5.37 0.00 -0.75 0.39 103.07 110.21 2ae8 h GLY 73 Ca 0.32 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2ae8 h GLY 73 CO -0.42 0.39 0.15 1.46 0.00 0.00 0.00 176.54 178.12 2ae8 h GLN 74 N 0.88 0.70 -0.72 4.80 4.20 -0.75 -1.61 115.11 122.61 2ae8 h GLN 74 Ca 0.23 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 2ae8 h GLN 74 Cb -0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2ae8 h GLN 74 CO -0.04 0.67 0.21 -0.07 -0.67 0.00 0.00 178.83 178.92 2ae8 h LEU 75 N 0.59 1.06 -1.08 1.46 3.38 -0.82 -1.80 115.31 118.11 2ae8 h LEU 75 Ca 0.15 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2ae8 h LEU 75 Cb 0.25 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2ae8 h LEU 75 CO -0.01 1.00 0.62 -0.07 0.09 0.00 0.00 178.44 180.07 2ae8 h LEU 76 N 1.08 1.06 -0.82 1.67 3.38 -0.74 -2.23 115.31 118.70 2ae8 h LEU 76 Ca 0.23 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 2ae8 h LEU 76 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2ae8 h LEU 76 CO -0.00 0.75 -0.10 0.25 0.09 0.00 0.00 178.44 179.42 2ae8 h LEU 77 N 1.24 0.76 -0.87 1.67 5.85 -0.86 0.16 115.31 123.27 2ae8 h LEU 77 Ca 0.36 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2ae8 h LEU 77 Cb -0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.74 2ae8 h LEU 77 CO -0.09 0.89 0.00 -0.62 -0.34 0.00 0.00 178.44 178.28 2ae8 n GLU 78 N -4.17 0.00 0.00 1.25 1.02 -0.72 -1.19 120.64 116.84 2ae8 n GLU 78 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2ae8 n GLU 78 Cb 0.36 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.35 0.00 0.02 -3.67 5.41 0.04 -2.19 119.36 119.33 2ae8 n ILE 80 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.77 2ae8 n ILE 80 Cb 0.00 0.00 0.38 0.00 -0.71 0.00 0.00 39.64 39.31 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 0.48 0.00 0.38 1.57 -1.41 -1.98 116.57 115.61 2ae8 h LYS 81 Ca 0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2ae8 h LYS 81 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2ae8 h LYS 81 CO 0.00 0.43 -0.48 -0.44 -0.57 0.00 0.00 179.45 178.39 2ae8 h ASP 82 N 0.47 0.00 -3.52 0.86 3.32 -1.70 -3.44 116.42 112.40 2ae8 h ASP 82 Ca 0.11 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.64 2ae8 h ASP 82 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2ae8 h ASP 82 CO -0.01 0.48 0.40 -0.54 -1.72 0.00 0.00 179.24 177.85 2ae8 s LYS 83 N -3.67 4.64 -0.15 3.56 1.02 -0.74 -4.98 119.74 119.42 2ae8 s LYS 83 Ca -0.01 1.52 -0.12 0.00 0.02 0.00 0.00 55.97 57.39 2ae8 s LYS 83 Cb 0.12 -3.37 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 2ae8 s LYS 83 CO 0.72 0.12 -0.12 1.17 -0.92 0.00 0.00 175.35 176.33 2ae8 n LYS 84 N 2.92 0.47 -3.97 1.68 4.81 -1.26 -4.91 118.16 117.90 2ae8 n LYS 84 Ca 0.03 0.53 -0.34 0.00 -0.87 0.00 0.00 58.31 57.66 2ae8 n LYS 84 Cb 0.49 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.70 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 -2.28 3.25 0.07 5.64 3.76 -1.26 -5.08 115.29 119.39 2ae8 s HIS 85 Ca -0.18 -2.02 0.00 0.00 -0.15 0.00 0.00 55.06 52.71 2ae8 s HIS 85 Cb 0.03 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 2ae8 s HIS 85 CO 0.29 -0.83 -0.05 -0.59 -0.85 0.00 0.00 174.74 172.71 2ae8 s PHE 86 N 1.20 0.65 0.33 1.40 -0.12 -1.26 -0.97 117.98 119.22 2ae8 s PHE 86 Ca -0.06 -0.91 0.05 0.00 -0.05 0.00 0.00 56.93 55.95 2ae8 s PHE 86 Cb -0.20 -0.42 0.68 0.00 -0.63 0.00 0.00 43.02 42.45 2ae8 s PHE 86 CO -0.03 -0.25 1.89 0.28 -0.05 0.00 0.00 175.22 177.07 2ae8 h VAL 87 N 3.33 0.95 0.00 -2.49 2.07 -0.71 -3.45 116.25 115.95 2ae8 h VAL 87 Ca -0.34 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2ae8 h VAL 87 Cb 1.16 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2ae8 h VAL 87 CO 0.61 0.16 0.00 -1.14 0.02 0.00 0.00 177.57 177.22 2ae8 n ARG 88 N -4.54 0.00 -4.25 1.57 0.63 0.71 -4.92 116.66 105.87 2ae8 n ARG 88 Ca 0.15 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.74 2ae8 n ARG 88 Cb 0.33 -0.01 -0.11 0.00 0.45 0.00 0.00 32.46 33.13 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 3.13 -0.04 -0.14 1.51 -1.26 -0.90 117.35 119.64 2ae8 s TYR 89 Ca 0.00 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 55.94 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 0.11 0.20 -1.11 0.00 0.00 175.55 174.87 2ae8 s GLY 90 N 0.16 -0.08 0.35 0.71 0.00 -0.09 -4.24 107.32 104.14 2ae8 s GLY 90 Ca 0.01 0.33 0.05 0.00 0.00 0.00 0.00 44.72 45.11 2ae8 s GLY 90 CO 0.02 0.31 0.19 -1.59 0.00 0.00 0.00 173.10 172.03 2ae8 s THR 91 N 0.13 0.31 -0.05 0.90 2.01 -1.26 -0.08 115.64 117.60 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 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 70.08 2ae8 s THR 91 CO -0.00 0.00 0.12 -0.31 -0.69 0.00 0.00 174.62 173.74 2ae8 s TYR 93 N -3.40 -0.13 -0.07 4.92 1.51 -1.26 -4.78 117.35 114.14 2ae8 s TYR 93 Ca 0.33 0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 56.73 2ae8 s TYR 93 Cb 0.03 -0.01 0.02 0.00 -0.11 0.00 0.00 41.96 41.89 2ae8 s TYR 93 CO 0.20 -0.10 -0.03 0.42 -1.11 0.00 0.00 175.55 174.93 2ae8 s ILE 94 N 0.48 0.59 0.00 2.71 -1.09 -0.30 -4.99 121.20 118.61 2ae8 s ILE 94 Ca -0.03 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 2ae8 s ILE 94 Cb -0.05 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.16 2ae8 s ILE 94 CO -0.02 0.28 0.00 -0.81 -1.23 0.00 0.00 174.94 173.15 2ae8 n PRO 95 N 4.69 0.94 0.00 2.79 -0.04 -1.26 -1.03 135.00 141.09 2ae8 n PRO 95 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 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 -2.46 0.00 0.26 3.54 8.00 -1.26 -4.99 116.55 119.65 2ae8 n ASP 97 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2ae8 n ASP 97 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 41.80 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 -6.81 -1.24 9.09 -1.97 -3.44 114.58 110.21 2ae8 h GLU 98 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 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 0.10 0.29 0.99 0.05 0.00 0.00 179.01 180.44 2ae8 s THR 99 N -4.51 4.28 -0.05 -1.06 2.01 -1.26 -4.38 115.64 110.66 2ae8 s THR 99 Ca -0.04 1.73 -0.00 0.00 0.31 0.00 0.00 61.69 63.69 2ae8 s THR 99 Cb 0.15 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.69 2ae8 s THR 99 CO 0.62 0.18 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.49 2ae8 s LEU 100 N -1.98 1.00 0.14 4.42 2.96 -0.50 -4.29 118.68 120.43 2ae8 s LEU 100 Ca 0.48 -0.09 0.11 0.00 -0.22 0.00 0.00 54.13 54.41 2ae8 s LEU 100 Cb -0.19 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2ae8 s LEU 100 CO 0.24 -0.12 -0.26 0.00 -1.32 0.00 0.00 176.35 174.89 2ae8 s ALA 101 N 1.35 2.33 -0.06 5.97 0.00 -0.19 -0.75 121.76 130.42 2ae8 s ALA 101 Ca -0.05 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.49 2ae8 s ALA 101 Cb -0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 2ae8 s ALA 101 CO -0.02 0.50 -0.19 0.50 0.00 0.00 0.00 175.76 176.55 2ae8 s ARG 102 N -2.14 2.16 -0.05 0.00 3.52 0.26 -1.15 118.95 121.56 2ae8 s ARG 102 Ca 0.14 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2ae8 s ARG 102 Cb -0.10 -1.79 -0.00 0.00 -1.56 0.00 0.00 34.95 31.51 2ae8 s ARG 102 CO 0.06 0.21 -0.18 0.08 -0.81 0.00 0.00 175.30 174.67 2ae8 s VAL 103 N 0.18 1.49 -0.17 7.11 1.01 -1.26 -0.44 120.40 128.32 2ae8 s VAL 103 Ca -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2ae8 s VAL 103 Cb -0.14 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2ae8 s VAL 103 CO 0.04 0.43 -0.19 -0.69 0.00 0.00 0.00 175.10 174.69 2ae8 s VAL 104 N 0.14 2.22 -0.03 2.92 1.01 -0.39 -4.29 120.40 121.98 2ae8 s VAL 104 Ca -0.07 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2ae8 s VAL 104 Cb -0.13 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2ae8 s VAL 104 CO 0.03 0.53 -0.25 0.54 0.00 0.00 0.00 175.10 175.95 2ae8 s VAL 105 N 1.09 2.00 -0.18 2.92 0.11 0.88 -1.57 120.40 125.65 2ae8 s VAL 105 Ca -0.00 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.99 2ae8 s VAL 105 Cb -0.14 -1.67 0.03 0.00 -1.53 0.00 0.00 36.38 33.06 2ae8 s VAL 105 CO -0.07 0.56 -0.15 -0.62 -3.33 0.00 0.00 175.10 171.50 2ae8 s ASP 106 N -0.41 3.09 -1.17 3.54 2.15 0.21 -0.91 116.67 123.16 2ae8 s ASP 106 Ca 0.04 -0.68 -0.20 0.00 0.43 0.00 0.00 52.55 52.13 2ae8 s ASP 106 Cb -0.11 -1.30 0.04 0.00 -0.30 0.00 0.00 42.92 41.25 2ae8 s ASP 106 CO 0.01 -0.07 1.67 -0.63 -0.17 0.00 0.00 175.17 175.98 2ae8 s ILE 107 N 1.39 3.97 -0.04 4.11 1.01 -0.08 -1.20 121.20 130.36 2ae8 s ILE 107 Ca 0.03 -1.36 0.15 0.00 0.00 0.00 0.00 60.65 59.46 2ae8 s ILE 107 Cb -0.14 -5.04 -0.22 0.00 0.01 0.00 0.00 42.46 37.07 2ae8 s ILE 107 CO -0.10 -1.86 0.29 -1.54 0.00 0.00 0.00 174.94 171.73 2ae8 n SER 108 N 9.35 1.61 0.00 3.58 3.41 -1.25 -4.94 113.62 125.38 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 0.48 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 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 1.72 0.90 3.25 5.00 0.00 -0.51 -5.00 105.19 110.55 2ae8 n GLY 109 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 2.66 -0.28 1.61 0.52 -1.23 -4.93 118.95 117.22 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 -4.04 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 2ae8 s ARG 110 CO 0.00 -1.22 1.84 -2.14 0.02 0.00 0.00 175.30 173.80 2ae8 s PRO 111 N 1.45 3.42 -0.23 3.54 0.02 -1.26 -3.34 135.00 138.59 2ae8 s PRO 111 Ca 0.05 1.61 -0.12 0.00 0.02 0.00 0.00 61.00 62.56 2ae8 s PRO 111 Cb -0.27 -4.19 0.08 0.00 0.02 0.00 0.00 34.50 30.14 2ae8 s PRO 111 CO 0.01 -1.76 0.56 -0.47 -0.33 0.00 0.00 177.00 175.01 2ae8 s TYR 112 N 6.70 -0.91 -0.14 6.54 5.04 -0.30 -4.96 117.35 129.32 2ae8 s TYR 112 Ca 0.82 1.80 0.02 0.00 -2.44 0.00 0.00 57.07 57.27 2ae8 s TYR 112 Cb -0.25 0.49 0.01 0.00 0.35 0.00 0.00 41.96 42.56 2ae8 s TYR 112 CO 0.33 -0.48 -0.21 -1.17 -1.34 0.00 0.00 175.55 172.68 2ae8 s LEU 113 N 1.84 2.07 -0.37 6.97 2.96 -1.26 -0.79 118.68 130.10 2ae8 s LEU 113 Ca -0.08 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 2ae8 s LEU 113 Cb -0.08 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.25 2ae8 s LEU 113 CO -0.16 0.07 0.18 -0.55 -1.32 0.00 0.00 176.35 174.56 2ae8 s SER 114 N 0.87 5.51 -0.30 3.68 0.15 0.11 -5.01 113.70 118.71 2ae8 s SER 114 Ca -0.06 -1.25 -0.05 0.00 0.70 0.00 0.00 55.95 55.29 2ae8 s SER 114 Cb -0.15 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 2ae8 s SER 114 CO -0.03 -0.41 0.05 0.12 1.20 0.00 0.00 173.24 174.17 2ae8 s PHE 115 N 1.43 3.17 -0.53 3.44 5.36 -1.26 -0.77 117.98 128.81 2ae8 s PHE 115 Ca 0.01 -1.26 0.04 0.00 -0.96 0.00 0.00 56.93 54.75 2ae8 s PHE 115 Cb -0.21 -2.21 0.16 0.00 -0.34 0.00 0.00 43.02 40.42 2ae8 s PHE 115 CO 0.03 -0.66 0.37 -0.80 -1.46 0.00 0.00 175.22 172.70 2ae8 s ASN 116 N 1.42 3.39 -0.30 6.13 0.01 -0.11 -5.00 114.94 120.49 2ae8 s ASN 116 Ca 0.00 -3.24 -0.00 0.00 -0.71 0.00 0.00 52.86 48.92 2ae8 s ASN 116 Cb -0.18 -1.08 0.19 0.00 0.41 0.00 0.00 41.25 40.60 2ae8 s ASN 116 CO 0.01 -0.17 0.62 0.00 -1.51 0.00 0.00 177.10 176.05 2ae8 s ALA 117 N -0.43 -2.35 -0.43 0.60 0.00 -1.26 -1.31 121.76 116.59 2ae8 s ALA 117 Ca 0.25 1.69 -0.20 0.00 0.00 0.00 0.00 51.96 53.70 2ae8 s ALA 117 Cb -0.08 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.81 2ae8 s ALA 117 CO -0.13 -1.43 0.63 -1.12 0.00 0.00 0.00 175.76 173.71 2ae8 s SER 118 N 2.86 6.32 0.35 0.00 0.01 -1.26 -5.02 113.70 116.96 2ae8 s SER 118 Ca 0.18 -0.31 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 2ae8 s SER 118 Cb -0.14 -2.31 -0.10 0.00 0.21 0.00 0.00 66.02 63.68 2ae8 s SER 118 CO -0.22 -0.74 0.94 -0.76 0.41 0.00 0.00 173.24 172.88 2ae8 s LEU 119 N 2.76 4.24 0.38 2.44 1.43 -1.26 -4.96 118.68 123.71 2ae8 s LEU 119 Ca 0.22 1.80 0.18 0.00 -1.03 0.00 0.00 54.13 55.29 2ae8 s LEU 119 Cb -0.14 -4.14 0.76 0.00 0.03 0.00 0.00 46.19 42.70 2ae8 s LEU 119 CO 0.18 -0.14 1.78 0.28 0.23 0.00 0.00 176.35 178.69 2ae8 h SER 120 N 2.87 0.00 -4.51 2.29 0.02 -1.91 -3.45 113.55 108.85 2ae8 h SER 120 Ca -0.47 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.21 2ae8 h SER 120 Cb 1.19 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 2ae8 h SER 120 CO 0.64 0.37 -0.71 -0.54 -1.14 0.00 0.00 176.83 175.44 2ae8 s LYS 121 N -3.80 0.81 0.22 3.45 -0.14 -1.26 -5.00 119.74 114.01 2ae8 s LYS 121 Ca -0.01 -1.20 0.10 0.00 -1.36 0.00 0.00 55.97 53.51 2ae8 s LYS 121 Cb 0.12 -0.35 0.14 0.00 -1.68 0.00 0.00 37.83 36.06 2ae8 s LYS 121 CO 0.69 0.03 1.48 0.93 -0.76 0.00 0.00 175.35 177.72 2ae8 h GLU 122 N 3.38 0.00 -4.95 1.68 5.08 -1.96 -3.43 114.58 114.38 2ae8 h GLU 122 Ca -0.36 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.67 2ae8 h GLU 122 Cb 1.18 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.23 2ae8 h GLU 122 CO 0.57 0.73 -0.75 0.15 -1.00 0.00 0.00 179.01 178.72 2ae8 s LYS 123 N -3.20 0.74 -0.21 2.33 1.02 -1.26 -1.40 119.74 117.75 2ae8 s LYS 123 Ca 0.00 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.04 2ae8 s LYS 123 Cb 0.11 -0.54 0.04 0.00 -0.52 0.00 0.00 37.83 36.91 2ae8 s LYS 123 CO 0.78 0.10 -0.16 0.14 -0.92 0.00 0.00 175.35 175.29 2ae8 s VAL 124 N -1.76 2.13 0.00 3.17 -7.23 -0.42 -4.91 120.40 111.37 2ae8 s VAL 124 Ca -0.02 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2ae8 s VAL 124 Cb -0.07 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2ae8 s VAL 124 CO 0.01 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 2ae8 n GLY 125 N 4.55 4.19 0.72 2.32 0.00 -1.26 -1.36 105.19 114.35 2ae8 n GLY 125 Ca -0.18 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.79 2.61 -2.24 -1.26 -4.96 114.28 105.64 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 1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 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 -2.25 3.45 -0.17 4.78 5.36 -0.46 -5.01 117.98 123.68 2ae8 s PHE 127 Ca 0.23 1.41 -0.29 0.00 -0.96 0.00 0.00 56.93 57.31 2ae8 s PHE 127 Cb 0.19 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.74 2ae8 s PHE 127 CO 0.44 -0.26 1.43 -0.51 -1.46 0.00 0.00 175.22 174.87 2ae8 s ASP 128 N 1.13 6.73 0.54 6.13 -0.00 -1.26 -1.31 116.67 128.64 2ae8 s ASP 128 Ca 0.43 1.75 0.32 0.00 -0.00 0.00 0.00 52.55 55.05 2ae8 s ASP 128 Cb -0.17 -2.54 1.43 0.00 -0.00 0.00 0.00 42.92 41.64 2ae8 s ASP 128 CO 0.14 -0.94 2.02 0.71 -0.00 0.00 0.00 175.17 177.09 2ae8 h THR 129 N 5.70 0.19 0.00 -1.27 1.35 -1.51 -1.50 112.91 115.87 2ae8 h THR 129 Ca -0.31 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2ae8 h THR 129 Cb 1.13 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2ae8 h THR 129 CO 0.98 0.06 0.00 1.05 -0.25 0.00 0.00 175.52 177.36 2ae8 h GLU 130 N 0.00 0.00 0.00 4.72 4.11 -1.91 -2.27 114.58 119.23 2ae8 h GLU 130 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2ae8 h GLU 130 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2ae8 h GLU 130 CO 0.01 0.00 -0.24 -0.07 0.07 0.00 0.00 179.01 178.78 2ae8 h LEU 131 N 0.00 0.00 0.17 3.06 3.38 -1.67 -3.25 115.31 117.00 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 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ae8 h LEU 131 CO 0.00 0.24 -0.13 0.58 0.09 0.00 0.00 178.44 179.22 2ae8 h VAL 132 N 0.00 0.71 -0.97 1.22 2.07 -1.60 0.16 116.25 117.84 2ae8 h VAL 132 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2ae8 h VAL 132 Cb 0.68 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2ae8 h VAL 132 CO 0.03 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.17 2ae8 h GLU 133 N -0.31 1.14 -0.70 1.57 4.81 -1.76 -1.84 114.58 117.49 2ae8 h GLU 133 Ca -0.01 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2ae8 h GLU 133 Cb 0.28 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2ae8 h GLU 133 CO -0.01 0.76 0.26 0.93 -0.73 0.00 0.00 179.01 180.22 2ae8 h GLU 134 N 1.18 1.05 0.02 1.92 4.39 -1.48 0.79 114.58 122.45 2ae8 h GLU 134 Ca 0.40 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2ae8 h GLU 134 Cb 0.09 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2ae8 h GLU 134 CO -0.14 0.88 -0.01 0.35 -1.16 0.00 0.00 179.01 178.93 2ae8 h PHE 135 N 1.00 -0.03 -0.53 4.33 3.57 -0.57 -1.95 116.94 122.75 2ae8 h PHE 135 Ca 0.23 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2ae8 h PHE 135 Cb 0.23 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2ae8 h PHE 135 CO 0.02 0.11 0.08 0.74 -2.23 0.00 0.00 178.31 177.03 2ae8 h PHE 136 N -0.17 0.88 -0.88 0.41 0.04 -1.14 -1.52 116.94 114.56 2ae8 h PHE 136 Ca -0.00 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2ae8 h PHE 136 Cb 0.16 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 2ae8 h PHE 136 CO -0.03 0.76 0.52 -0.09 -0.60 0.00 0.00 178.31 178.87 2ae8 h ARG 137 N 0.80 1.19 -0.10 1.51 2.43 -0.78 -1.03 114.38 118.40 2ae8 h ARG 137 Ca 0.17 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2ae8 h ARG 137 Cb 0.36 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2ae8 h ARG 137 CO 0.01 0.84 -0.12 0.00 -1.51 0.00 0.00 179.97 179.20 2ae8 h ALA 138 N 1.36 0.15 0.46 2.80 0.00 -0.86 -2.80 119.26 120.36 2ae8 h ALA 138 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ae8 h ALA 138 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ae8 h ALA 138 CO -0.06 0.01 -0.22 0.28 0.00 0.00 0.00 179.25 179.26 2ae8 h VAL 139 N -0.17 0.54 -0.49 0.00 2.07 -1.17 -2.57 116.25 114.46 2ae8 h VAL 139 Ca 0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2ae8 h VAL 139 Cb 0.65 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2ae8 h VAL 139 CO 0.03 0.03 0.22 0.58 0.02 0.00 0.00 177.57 178.45 2ae8 h VAL 140 N -0.71 1.20 -0.25 2.57 2.07 -1.29 0.80 116.25 120.63 2ae8 h VAL 140 Ca -0.06 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2ae8 h VAL 140 Cb 0.52 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2ae8 h VAL 140 CO 0.10 0.23 -0.20 0.40 0.02 0.00 0.00 177.57 178.12 2ae8 h ILE 141 N 0.65 1.31 0.00 4.57 1.08 -1.58 -0.20 117.51 123.35 2ae8 h ILE 141 Ca 0.17 -1.34 -0.11 0.00 -0.39 0.00 0.00 64.86 63.18 2ae8 h ILE 141 Cb 0.15 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2ae8 h ILE 141 CO -0.02 0.42 -0.52 0.78 -0.69 0.00 0.00 178.15 178.12 2ae8 h ASN 142 N 0.30 0.00 0.44 1.72 2.35 -1.34 -2.29 115.58 116.75 2ae8 h ASN 142 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2ae8 h ASN 142 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2ae8 h ASN 142 CO 0.05 0.52 -0.05 0.00 -1.65 0.00 0.00 177.43 176.31 2ae8 n ALA 143 N -2.29 2.62 -3.63 -0.83 0.00 0.26 -4.06 120.51 112.58 2ae8 n ALA 143 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 2ae8 n ALA 143 Cb 0.65 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.12 -6.11 -3.93 0.00 1.74 -0.69 -4.57 116.66 101.99 2ae8 n ARG 144 Ca 0.15 0.73 -0.28 0.00 -0.77 0.00 0.00 57.85 57.67 2ae8 n ARG 144 Cb 0.25 -5.57 -0.03 0.00 -1.02 0.00 0.00 32.46 26.08 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 -6.79 4.35 -0.27 0.55 1.43 -0.17 -1.43 118.68 116.35 2ae8 s LEU 145 Ca 0.22 0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2ae8 s LEU 145 Cb -0.10 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2ae8 s LEU 145 CO 0.77 0.11 0.14 0.28 0.23 0.00 0.00 176.35 177.88 2ae8 s THR 146 N -1.63 4.91 -0.06 5.49 -1.32 -0.34 -1.15 115.64 121.54 2ae8 s THR 146 Ca 0.35 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.88 2ae8 s THR 146 Cb -0.12 -3.32 0.02 0.00 -1.51 0.00 0.00 72.50 67.56 2ae8 s THR 146 CO 0.28 0.29 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.99 2ae8 s THR 147 N 1.69 0.93 -0.21 5.08 2.01 0.03 -0.62 115.64 124.54 2ae8 s THR 147 Ca 0.07 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 2ae8 s THR 147 Cb -0.16 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2ae8 s THR 147 CO 0.08 0.31 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.25 2ae8 s HIS 148 N 0.77 2.93 -0.20 4.92 3.76 -0.61 -0.71 115.29 126.15 2ae8 s HIS 148 Ca -0.13 -1.00 -0.04 0.00 -0.15 0.00 0.00 55.06 53.74 2ae8 s HIS 148 Cb -0.15 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2ae8 s HIS 148 CO 0.02 -0.56 -0.04 0.42 -0.85 0.00 0.00 174.74 173.73 2ae8 s ILE 149 N 1.40 3.51 -0.11 0.60 1.01 0.05 -1.26 121.20 126.39 2ae8 s ILE 149 Ca 0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2ae8 s ILE 149 Cb -0.14 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2ae8 s ILE 149 CO -0.04 0.44 -0.09 -1.81 0.00 0.00 0.00 174.94 173.44 2ae8 s ASP 150 N 1.18 2.20 -0.52 3.58 1.01 0.41 -0.93 116.67 123.60 2ae8 s ASP 150 Ca 0.02 -0.32 -0.21 0.00 0.71 0.00 0.00 52.55 52.75 2ae8 s ASP 150 Cb -0.14 -0.88 0.05 0.00 1.01 0.00 0.00 42.92 42.96 2ae8 s ASP 150 CO -0.01 -0.10 0.73 -0.22 0.21 0.00 0.00 175.17 175.78 2ae8 s LEU 151 N 1.60 4.70 0.08 1.23 0.20 -0.43 -0.57 118.68 125.49 2ae8 s LEU 151 Ca 0.03 -0.75 -0.16 0.00 0.69 0.00 0.00 54.13 53.94 2ae8 s LEU 151 Cb -0.13 -2.56 -0.11 0.00 -0.43 0.00 0.00 46.19 42.96 2ae8 s LEU 151 CO -0.08 -1.01 1.37 0.40 -0.29 0.00 0.00 176.35 176.75 2ae8 h ILE 152 N 5.91 1.32 -3.18 6.68 2.04 -1.27 -3.46 117.51 125.56 2ae8 h ILE 152 Ca -0.27 -1.49 -0.09 0.00 1.00 0.00 0.00 64.86 64.00 2ae8 h ILE 152 Cb 1.09 1.74 -0.17 0.00 -0.74 0.00 0.00 36.82 38.74 2ae8 h ILE 152 CO 1.01 0.47 -0.20 0.00 0.00 0.00 0.00 178.15 179.42 2ae8 s ARG 153 N -4.23 0.83 0.00 2.37 1.70 -1.15 -4.97 118.95 113.51 2ae8 s ARG 153 Ca -0.13 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2ae8 s ARG 153 Cb 0.08 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2ae8 s ARG 153 CO 0.82 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 175.18 2ae8 n GLY 154 N 0.63 5.20 0.00 3.88 0.00 -1.26 -1.40 105.19 112.23 2ae8 n GLY 154 Ca -0.19 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 0.79 3.46 -0.02 0.00 -1.26 -4.57 105.19 103.59 2ae8 n GLY 155 Ca 0.00 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 4.78 0.18 1.61 3.84 -1.26 -4.86 114.94 119.23 2ae8 s ASN 156 Ca 0.00 -0.18 -0.08 0.00 0.21 0.00 0.00 52.86 52.81 2ae8 s ASN 156 Cb 0.00 -1.80 0.08 0.00 -0.55 0.00 0.00 41.25 38.98 2ae8 s ASN 156 CO 0.00 0.10 1.60 0.74 -2.79 0.00 0.00 177.10 176.75 2ae8 h THR 157 N 5.30 1.27 -0.62 -5.21 2.02 -1.96 -0.05 112.91 113.66 2ae8 h THR 157 Ca -0.34 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 65.54 2ae8 h THR 157 Cb 1.18 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 2ae8 h THR 157 CO 0.62 0.45 0.41 -0.74 0.37 0.00 0.00 175.52 176.63 2ae8 h HIS 158 N 0.83 0.77 -0.66 3.16 -0.00 -1.95 -1.46 115.15 115.85 2ae8 h HIS 158 Ca 0.12 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 2ae8 h HIS 158 Cb 0.72 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 2ae8 h HIS 158 CO 0.04 0.47 0.29 0.45 -0.00 0.00 0.00 177.93 179.19 2ae8 h HIS 159 N 0.82 0.97 -0.21 5.26 3.86 -1.87 -1.16 115.15 122.82 2ae8 h HIS 159 Ca 0.23 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2ae8 h HIS 159 Cb -0.08 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 2ae8 h HIS 159 CO -0.03 0.74 0.14 0.93 0.86 0.00 0.00 177.93 180.56 2ae8 h GLU 160 N 0.91 0.27 -0.32 2.45 5.08 -0.66 0.29 114.58 122.60 2ae8 h GLU 160 Ca 0.22 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2ae8 h GLU 160 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ae8 h GLU 160 CO -0.02 0.18 -0.07 0.82 -1.00 0.00 0.00 179.01 178.91 2ae8 h ILE 161 N 0.28 1.28 -0.36 3.13 2.04 -1.19 -2.37 117.51 120.31 2ae8 h ILE 161 Ca 0.08 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2ae8 h ILE 161 Cb -0.03 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2ae8 h ILE 161 CO -0.02 0.36 0.19 -0.08 0.00 0.00 0.00 178.15 178.60 2ae8 h GLU 162 N 0.39 0.51 -0.72 2.37 4.81 -1.12 -0.69 114.58 120.13 2ae8 h GLU 162 Ca 0.08 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2ae8 h GLU 162 Cb 0.56 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 2ae8 h GLU 162 CO 0.03 0.43 0.41 0.00 -0.73 0.00 0.00 179.01 179.15 2ae8 h ALA 163 N 1.05 0.97 -0.31 2.92 0.00 -0.91 -0.19 119.26 122.81 2ae8 h ALA 163 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2ae8 h ALA 163 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ae8 h ALA 163 CO -0.02 0.10 0.09 0.82 0.00 0.00 0.00 179.25 180.25 2ae8 h ILE 164 N 0.75 1.21 -0.26 0.00 2.04 -1.08 -0.17 117.51 120.01 2ae8 h ILE 164 Ca 0.32 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ae8 h ILE 164 Cb 0.19 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2ae8 h ILE 164 CO -0.18 0.23 0.17 -0.26 0.00 0.00 0.00 178.15 178.10 2ae8 h PHE 165 N 0.34 0.32 -0.25 1.37 0.04 -0.77 0.12 116.94 118.10 2ae8 h PHE 165 Ca 0.10 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.89 2ae8 h PHE 165 Cb 0.25 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2ae8 h PHE 165 CO 0.01 0.20 0.12 0.87 -0.60 0.00 0.00 178.31 178.91 2ae8 h LYS 166 N 0.35 0.25 -0.33 1.51 1.57 -0.96 -1.41 116.57 117.55 2ae8 h LYS 166 Ca 0.10 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2ae8 h LYS 166 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2ae8 h LYS 166 CO -0.03 0.17 0.03 0.00 -0.57 0.00 0.00 179.45 179.05 2ae8 h ALA 167 N 1.13 0.45 -0.39 3.86 0.00 -0.90 -1.83 119.26 121.57 2ae8 h ALA 167 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ae8 h ALA 167 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ae8 h ALA 167 CO -0.08 0.18 0.20 0.35 0.00 0.00 0.00 179.25 179.90 2ae8 h PHE 168 N 0.39 0.55 -0.64 0.00 3.57 -0.89 -1.58 116.94 118.34 2ae8 h PHE 168 Ca 0.10 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2ae8 h PHE 168 Cb 0.40 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2ae8 h PHE 168 CO 0.03 0.45 0.33 0.77 -2.23 0.00 0.00 178.31 177.66 2ae8 h SER 169 N 0.50 0.82 -0.21 0.41 0.02 -1.20 0.81 113.55 114.70 2ae8 h SER 169 Ca 0.14 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2ae8 h SER 169 Cb 0.10 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2ae8 h SER 169 CO -0.02 0.70 -0.23 0.03 -1.14 0.00 0.00 176.83 176.17 2ae8 h ARG 170 N 0.88 0.54 -0.85 3.45 3.08 -1.28 -1.27 114.38 118.92 2ae8 h ARG 170 Ca 0.22 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2ae8 h ARG 170 Cb 0.08 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2ae8 h ARG 170 CO -0.03 0.88 0.56 0.00 -1.07 0.00 0.00 179.97 180.31 2ae8 h ALA 171 N 0.65 1.09 -0.03 0.04 0.00 -1.11 -0.35 119.26 119.54 2ae8 h ALA 171 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ae8 h ALA 171 Cb 0.79 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ae8 h ALA 171 CO 0.06 0.47 0.02 1.25 0.00 0.00 0.00 179.25 181.04 2ae8 h LEU 172 N 1.14 0.04 -0.76 0.00 5.85 -0.76 -1.36 115.31 119.46 2ae8 h LEU 172 Ca 0.32 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.05 2ae8 h LEU 172 Cb -0.10 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 2ae8 h LEU 172 CO -0.08 0.14 0.36 1.23 -0.34 0.00 0.00 178.44 179.76 2ae8 h GLY 173 N -0.06 1.17 0.94 3.75 0.00 -0.96 -0.09 103.07 107.82 2ae8 h GLY 173 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2ae8 h GLY 173 CO -0.00 0.00 0.06 -2.22 0.00 0.00 0.00 176.54 174.38 2ae8 h ILE 174 N 0.58 1.09 -0.12 2.60 2.04 -0.96 -2.95 117.51 119.79 2ae8 h ILE 174 Ca 0.39 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 2ae8 h ILE 174 Cb 0.50 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2ae8 h ILE 174 CO -0.32 0.08 -0.18 0.00 0.00 0.00 0.00 178.15 177.73 2ae8 h ALA 175 N 0.97 1.48 0.00 1.87 0.00 -0.36 -2.64 119.26 120.58 2ae8 h ALA 175 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ae8 h ALA 175 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ae8 h ALA 175 CO -0.01 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2ae8 n LEU 176 N -4.24 0.21 -4.70 0.00 4.77 -0.13 -0.21 117.00 112.69 2ae8 n LEU 176 Ca -0.01 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 56.06 2ae8 n LEU 176 Cb 0.29 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2ae8 n LEU 176 CO 0.38 -0.06 1.29 0.41 -1.33 0.00 0.00 177.39 178.07 2ae8 n THR 177 N -1.69 0.15 -1.94 -5.08 -1.04 -0.99 -4.71 114.28 98.97 2ae8 n THR 177 Ca 0.06 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.63 2ae8 n THR 177 Cb 0.35 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 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 0.91 3.59 -1.40 2.41 0.00 -1.26 -0.56 121.76 125.44 2ae8 s ALA 178 Ca 0.75 1.43 0.11 0.00 0.00 0.00 0.00 51.96 54.25 2ae8 s ALA 178 Cb -0.57 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.08 2ae8 s ALA 178 CO 0.37 -0.86 0.85 0.25 0.00 0.00 0.00 175.76 176.37