#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o81 n HIS 15 N 0.00 0.08 -3.85 0.54 8.25 -1.26 -4.98 115.22 114.00 1o81 n HIS 15 Ca 0.00 -0.06 -0.28 0.00 -0.26 0.00 0.00 57.72 57.12 1o81 n HIS 15 Cb 0.00 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1o81 n HIS 15 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1o81 n MET 16 N 0.98 -5.71 -0.18 -0.41 2.81 -1.26 -4.86 117.12 108.50 1o81 n MET 16 Ca 0.11 0.63 -0.01 0.00 -1.81 0.00 0.00 57.70 56.61 1o81 n MET 16 Cb 0.44 -5.49 0.08 0.00 -0.71 0.00 0.00 33.22 27.55 1o81 n MET 16 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1o81 h SER 17 N -2.12 0.06 -0.14 7.83 0.02 -1.92 -0.72 113.55 116.55 1o81 h SER 17 Ca -0.58 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1o81 h SER 17 Cb 1.37 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 1o81 h SER 17 CO 0.65 0.05 -0.04 1.23 -1.14 0.00 0.00 176.83 177.58 1o81 h GLY 18 N 0.29 0.09 1.84 -3.77 0.00 -1.80 -2.67 103.07 97.05 1o81 h GLY 18 Ca 0.28 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1o81 h GLY 18 CO -0.33 -0.06 -0.34 -2.00 0.00 0.00 0.00 176.54 173.81 1o81 h LEU 19 N -0.02 0.18 -1.96 3.11 5.85 -1.56 -2.98 115.31 117.94 1o81 h LEU 19 Ca 0.07 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1o81 h LEU 19 Cb 0.12 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1o81 h LEU 19 CO -0.15 0.52 -0.11 0.50 -0.34 0.00 0.00 178.44 178.85 1o81 h LYS 20 N 0.16 0.00 -0.07 1.25 1.63 -0.79 -2.37 116.57 116.38 1o81 h LYS 20 Ca 0.02 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1o81 h LYS 20 Cb 0.68 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1o81 h LYS 20 CO 0.05 0.11 0.10 0.87 -3.45 0.00 0.00 179.45 177.13 1o81 h LYS 21 N 0.00 0.00 -0.00 1.90 1.79 -1.36 -0.99 116.57 117.91 1o81 h LYS 21 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1o81 h LYS 21 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1o81 h LYS 21 CO 0.01 0.00 -0.14 1.19 -1.08 0.00 0.00 179.45 179.43 1o81 n PHE 22 N -3.62 0.00 -3.36 -1.35 3.72 -0.89 -4.56 117.46 107.41 1o81 n PHE 22 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 1o81 n PHE 22 Cb 0.19 -0.35 -0.08 0.00 -0.94 0.00 0.00 39.48 38.30 1o81 n PHE 22 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o81 n PHE 23 N -1.35 1.57 0.26 1.38 3.72 -0.38 -4.83 117.46 117.83 1o81 n PHE 23 Ca 0.09 -3.85 0.12 0.00 -0.05 0.00 0.00 57.45 53.76 1o81 n PHE 23 Cb 0.31 -0.41 0.72 0.00 -0.94 0.00 0.00 39.48 39.16 1o81 n PHE 23 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1o81 h PRO 24 N 4.30 0.00 0.00 -1.08 0.13 -1.80 -3.29 132.00 130.26 1o81 h PRO 24 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1o81 h PRO 24 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1o81 h PRO 24 CO 0.63 0.11 0.00 0.66 -0.23 0.00 0.00 178.00 179.17 1o81 n TYR 25 N -3.80 0.00 -4.44 1.56 4.01 -1.26 -5.01 117.16 108.22 1o81 n TYR 25 Ca -0.02 -0.23 -0.22 0.00 -0.16 0.00 0.00 57.90 57.26 1o81 n TYR 25 Cb 0.21 -0.02 -0.13 0.00 -0.31 0.00 0.00 39.34 39.08 1o81 n TYR 25 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1o81 s SER 26 N -0.46 2.06 -0.14 7.72 0.01 -1.24 -5.00 113.70 116.65 1o81 s SER 26 Ca 0.00 -0.52 -0.15 0.00 1.31 0.00 0.00 55.95 56.60 1o81 s SER 26 Cb 0.00 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1o81 s SER 26 CO 0.00 0.07 -0.28 0.35 0.41 0.00 0.00 173.24 173.79 1o81 n THR 27 N 1.74 1.35 -4.08 1.44 -2.24 -1.26 -4.85 114.28 106.38 1o81 n THR 27 Ca -0.18 0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1o81 n THR 27 Cb 0.54 -2.19 -0.05 0.00 -2.10 0.00 0.00 70.33 66.53 1o81 n THR 27 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1o81 s ASN 28 N -5.77 5.61 0.48 3.42 0.01 -1.26 -4.51 114.94 112.91 1o81 s ASN 28 Ca -0.24 -0.15 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1o81 s ASN 28 Cb 0.03 -1.47 -0.03 0.00 0.41 0.00 0.00 41.25 40.19 1o81 s ASN 28 CO 0.35 0.02 0.03 0.68 -1.51 0.00 0.00 177.10 176.67 1o81 s VAL 29 N -1.91 1.49 0.23 1.60 -7.23 0.59 -4.83 120.40 110.34 1o81 s VAL 29 Ca 0.32 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 1o81 s VAL 29 Cb -0.09 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 1o81 s VAL 29 CO 0.25 0.00 0.61 -0.76 -0.31 0.00 0.00 175.10 174.89 1o81 s LEU 30 N -3.85 4.20 -0.41 1.32 1.43 -0.30 -2.68 118.68 118.40 1o81 s LEU 30 Ca 0.18 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 1o81 s LEU 30 Cb 0.04 -3.67 0.16 0.00 0.03 0.00 0.00 46.19 42.76 1o81 s LEU 30 CO 0.09 -0.05 0.36 -0.75 0.23 0.00 0.00 176.35 176.23 1o81 s LYS 31 N -2.57 0.82 6.24 1.70 2.20 0.40 -1.75 119.74 126.79 1o81 s LYS 31 Ca 0.46 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 1o81 s LYS 31 Cb -0.12 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.02 1o81 s LYS 31 CO 0.20 -1.33 0.00 0.41 -0.36 0.00 0.00 175.35 174.27 1o81 n GLY 32 N 3.24 1.86 0.08 5.54 0.00 -1.26 -2.86 105.19 111.78 1o81 n GLY 32 Ca 0.23 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1o81 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o81 n ALA 33 N 7.37 2.82 -2.45 4.61 0.00 -1.26 -4.91 120.51 126.69 1o81 n ALA 33 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 1o81 n ALA 33 Cb 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 1o81 n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o81 s ALA 34 N -3.29 3.66 -0.31 0.00 0.00 -1.14 -4.99 121.76 115.69 1o81 s ALA 34 Ca 0.02 -0.19 0.11 0.00 0.00 0.00 0.00 51.96 51.89 1o81 s ALA 34 Cb 0.12 -2.43 0.47 0.00 0.00 0.00 0.00 23.12 21.27 1o81 s ALA 34 CO 0.78 0.48 1.14 0.00 0.00 0.00 0.00 175.76 178.17 1o81 n ALA 35 N 1.40 4.38 0.06 0.00 0.00 -1.26 -0.45 120.51 124.63 1o81 n ALA 35 Ca -0.10 -3.60 0.04 0.00 0.00 0.00 0.00 53.44 49.78 1o81 n ALA 35 Cb 0.52 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1o81 n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1o81 n ASP 36 N -0.61 2.28 -4.66 0.00 5.68 -1.24 -4.52 116.55 113.48 1o81 n ASP 36 Ca 0.33 -1.74 -0.42 0.00 -0.50 0.00 0.00 54.79 52.46 1o81 n ASP 36 Cb 0.87 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 40.73 1o81 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1o81 s ILE 37 N -0.87 3.44 0.19 2.12 -1.09 -1.09 -4.86 121.20 119.04 1o81 s ILE 37 Ca 0.14 0.53 0.08 0.00 -2.23 0.00 0.00 60.65 59.17 1o81 s ILE 37 Cb 0.08 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1o81 s ILE 37 CO 0.11 -0.06 0.02 0.00 -1.23 0.00 0.00 174.94 173.78 1o81 s ALA 38 N 4.26 3.23 0.27 9.38 0.00 -1.26 -0.30 121.76 137.34 1o81 s ALA 38 Ca 0.77 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1o81 s ALA 38 Cb -0.35 -0.99 0.55 0.00 0.00 0.00 0.00 23.12 22.32 1o81 s ALA 38 CO 0.32 0.44 1.78 -0.07 0.00 0.00 0.00 175.76 178.23 1o81 h LEU 39 N 2.49 0.64 -1.94 0.00 3.38 -1.95 -2.09 115.31 115.85 1o81 h LEU 39 Ca -0.47 0.08 0.17 0.00 0.09 0.00 0.00 57.88 57.75 1o81 h LEU 39 Cb 1.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1o81 h LEU 39 CO 0.59 0.29 0.53 -0.65 0.09 0.00 0.00 178.44 179.29 1o81 h PRO 40 N 0.72 0.00 0.00 1.13 0.11 -1.96 0.22 132.00 132.22 1o81 h PRO 40 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1o81 h PRO 40 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1o81 h PRO 40 CO -0.34 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.32 1o81 n SER 41 N -3.90 0.48 -1.04 -2.05 3.41 -0.79 -1.59 113.62 108.15 1o81 n SER 41 Ca 0.11 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 1o81 n SER 41 Cb 0.76 -0.76 0.19 0.00 -0.26 0.00 0.00 64.21 64.15 1o81 n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1o81 n LEU 42 N -2.09 3.15 -4.63 1.04 4.77 0.76 -5.00 117.00 115.00 1o81 n LEU 42 Ca 0.00 -1.24 -0.45 0.00 -0.03 0.00 0.00 56.01 54.30 1o81 n LEU 42 Cb 0.11 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1o81 n LEU 42 CO 0.12 0.62 0.75 0.00 -1.33 0.00 0.00 177.39 177.55 1o81 n ALA 43 N 1.35 0.29 -0.91 -1.18 0.00 -0.62 -2.02 120.51 117.42 1o81 n ALA 43 Ca 0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1o81 n ALA 43 Cb 0.58 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1o81 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o81 n GLY 44 N 1.40 0.77 3.96 0.00 0.00 -1.26 -5.01 105.19 105.05 1o81 n GLY 44 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1o81 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o81 s LYS 45 N -0.22 3.00 0.03 1.61 1.02 -0.85 -4.96 119.74 119.36 1o81 s LYS 45 Ca 0.00 -1.11 -0.18 0.00 0.02 0.00 0.00 55.97 54.70 1o81 s LYS 45 Cb 0.00 -2.74 -0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1o81 s LYS 45 CO 0.00 0.02 0.52 0.99 -0.92 0.00 0.00 175.35 175.96 1o81 s THR 46 N -2.23 4.88 -0.08 2.17 2.01 -0.92 -1.57 115.64 119.91 1o81 s THR 46 Ca 0.45 1.09 0.04 0.00 0.31 0.00 0.00 61.69 63.59 1o81 s THR 46 Cb -0.09 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 1o81 s THR 46 CO 0.30 0.52 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.85 1o81 s VAL 47 N -0.83 1.83 -0.19 3.82 1.01 -0.21 -1.36 120.40 124.48 1o81 s VAL 47 Ca 0.27 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1o81 s VAL 47 Cb -0.18 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1o81 s VAL 47 CO 0.16 0.51 -0.02 -0.36 0.00 0.00 0.00 175.10 175.40 1o81 s PHE 48 N 0.22 3.02 -0.28 5.22 0.08 -0.28 -0.81 117.98 125.17 1o81 s PHE 48 Ca -0.12 -0.45 -0.21 0.00 0.12 0.00 0.00 56.93 56.27 1o81 s PHE 48 Cb -0.16 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1o81 s PHE 48 CO 0.06 -0.20 0.69 -0.06 -0.10 0.00 0.00 175.22 175.61 1o81 s PHE 49 N 0.82 3.25 -0.41 0.36 0.08 0.29 -0.55 117.98 121.82 1o81 s PHE 49 Ca -0.00 0.80 -0.10 0.00 0.12 0.00 0.00 56.93 57.75 1o81 s PHE 49 Cb -0.14 -2.98 0.07 0.00 -0.57 0.00 0.00 43.02 39.40 1o81 s PHE 49 CO 0.02 -0.42 0.26 -0.47 -0.10 0.00 0.00 175.22 174.51 1o81 s TYR 50 N 2.66 3.32 -0.30 0.36 5.04 0.05 -1.21 117.35 127.27 1o81 s TYR 50 Ca 0.28 -1.44 -0.24 0.00 -2.44 0.00 0.00 57.07 53.23 1o81 s TYR 50 Cb -0.15 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1o81 s TYR 50 CO 0.10 -0.82 0.81 -0.06 -1.34 0.00 0.00 175.55 174.24 1o81 s PHE 51 N 1.45 3.21 0.22 4.97 0.40 0.10 -0.56 117.98 127.76 1o81 s PHE 51 Ca 0.03 0.86 -0.20 0.00 -0.60 0.00 0.00 56.93 57.02 1o81 s PHE 51 Cb -0.23 -3.24 0.04 0.00 0.51 0.00 0.00 43.02 40.10 1o81 s PHE 51 CO 0.03 -0.57 0.62 0.45 0.70 0.00 0.00 175.22 176.45 1o81 s SER 52 N 1.60 -0.34 -0.05 1.36 0.15 -1.09 -2.02 113.70 113.32 1o81 s SER 52 Ca 0.33 -0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.27 1o81 s SER 52 Cb -0.14 0.65 0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1o81 s SER 52 CO 0.12 -1.15 0.65 0.00 1.20 0.00 0.00 173.24 174.05 1o81 s ALA 53 N -3.86 -1.68 -0.49 5.45 0.00 -1.26 -1.17 121.76 118.74 1o81 s ALA 53 Ca 0.08 1.23 0.25 0.00 0.00 0.00 0.00 51.96 53.52 1o81 s ALA 53 Cb -0.03 0.00 0.96 0.00 0.00 0.00 0.00 23.12 24.05 1o81 s ALA 53 CO -0.01 -0.36 1.75 0.66 0.00 0.00 0.00 175.76 177.79 1o81 h SER 54 N 3.09 0.00 0.41 0.00 4.64 -1.92 -2.87 113.55 116.90 1o81 h SER 54 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1o81 h SER 54 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1o81 h SER 54 CO 0.39 0.00 -0.12 -2.67 -0.87 0.00 0.00 176.83 173.56 1o81 n TRP 55 N -2.33 0.00 -3.56 4.77 4.27 -1.26 -4.77 117.44 114.56 1o81 n TRP 55 Ca 0.03 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.23 1o81 n TRP 55 Cb 0.29 -0.21 -0.11 0.00 -1.36 0.00 0.00 31.31 29.92 1o81 n TRP 55 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o81 h PRO 57 N 8.49 -0.33 -0.05 0.00 0.11 -1.88 -1.44 132.00 136.91 1o81 h PRO 57 Ca -0.26 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1o81 h PRO 57 Cb 1.11 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1o81 h PRO 57 CO 0.69 -0.22 0.00 -1.00 -0.21 0.00 0.00 178.00 177.26 1o81 h PRO 58 N -0.35 0.07 -0.37 1.05 0.13 -1.95 -1.17 132.00 129.41 1o81 h PRO 58 Ca 0.12 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1o81 h PRO 58 Cb 0.54 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 1o81 h PRO 58 CO -0.42 0.07 0.19 0.00 -0.23 0.00 0.00 178.00 177.61 1o81 h ARG 60 N 0.47 0.49 0.05 0.00 3.08 -0.17 -0.43 114.38 117.87 1o81 h ARG 60 Ca 0.13 -0.04 -0.28 0.00 0.07 0.00 0.00 59.98 59.86 1o81 h ARG 60 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1o81 h ARG 60 CO -0.02 0.36 -1.43 0.00 -1.07 0.00 0.00 179.97 177.81 1o81 h ALA 61 N 1.73 0.42 0.02 0.04 0.00 -1.25 -3.36 119.26 116.86 1o81 h ALA 61 Ca 0.13 -1.14 -0.21 0.00 0.00 0.00 0.00 54.91 53.69 1o81 h ALA 61 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1o81 h ALA 61 CO -0.02 1.29 -0.95 0.35 0.00 0.00 0.00 179.25 179.91 1o81 h PHE 62 N 0.03 0.25 -0.32 0.00 3.57 -0.53 -3.34 116.94 116.59 1o81 h PHE 62 Ca -0.19 -0.15 0.07 0.00 3.53 0.00 0.00 57.97 61.23 1o81 h PHE 62 Cb 1.94 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 40.58 1o81 h PHE 62 CO 0.03 1.01 -0.22 1.15 -2.23 0.00 0.00 178.31 178.05 1o81 h THR 63 N 0.07 0.40 0.00 4.41 2.02 -1.23 0.13 112.91 118.72 1o81 h THR 63 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1o81 h THR 63 Cb 1.62 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1o81 h THR 63 CO 0.14 0.00 -0.01 -0.65 0.37 0.00 0.00 175.52 175.37 1o81 h PRO 64 N -0.19 0.00 -0.27 6.66 0.11 -1.76 -0.34 132.00 136.21 1o81 h PRO 64 Ca 0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1o81 h PRO 64 Cb 0.45 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1o81 h PRO 64 CO -0.44 0.01 -0.08 1.96 -0.21 0.00 0.00 178.00 179.24 1o81 h GLN 65 N 0.00 0.54 -0.43 1.05 4.20 -1.27 -1.07 115.11 118.13 1o81 h GLN 65 Ca -0.00 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1o81 h GLN 65 Cb 0.01 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1o81 h GLN 65 CO 0.00 0.75 -0.04 1.25 -0.67 0.00 0.00 178.83 180.13 1o81 h LEU 66 N 0.29 0.70 -0.61 1.46 5.85 -0.52 -1.73 115.31 120.73 1o81 h LEU 66 Ca 0.07 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1o81 h LEU 66 Cb 0.57 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1o81 h LEU 66 CO 0.03 0.79 0.26 0.40 -0.34 0.00 0.00 178.44 179.58 1o81 h ILE 67 N 0.67 1.23 -0.76 4.05 2.04 -0.88 0.96 117.51 124.82 1o81 h ILE 67 Ca 0.13 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1o81 h ILE 67 Cb 0.47 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1o81 h ILE 67 CO 0.02 0.27 0.48 0.44 0.00 0.00 0.00 178.15 179.36 1o81 h ASP 68 N 0.85 0.78 -0.57 1.72 3.32 -0.89 0.22 116.42 121.85 1o81 h ASP 68 Ca 0.21 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1o81 h ASP 68 Cb 0.18 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1o81 h ASP 68 CO -0.02 0.53 -0.02 0.15 -1.72 0.00 0.00 179.24 178.16 1o81 h PHE 69 N 0.92 1.12 -0.42 4.55 3.04 -0.87 -2.11 116.94 123.17 1o81 h PHE 69 Ca 0.31 -0.20 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1o81 h PHE 69 Cb 0.04 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 1o81 h PHE 69 CO -0.04 1.01 0.21 -0.92 -2.02 0.00 0.00 178.31 176.55 1o81 h TYR 70 N 0.91 0.60 -0.94 0.41 3.20 -0.32 -0.98 116.97 119.86 1o81 h TYR 70 Ca 0.16 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1o81 h TYR 70 Cb 0.58 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1o81 h TYR 70 CO 0.04 0.49 0.62 0.87 -1.64 0.00 0.00 178.16 178.54 1o81 h LYS 71 N 0.54 1.22 -0.02 1.82 1.57 -0.79 -1.04 116.57 119.88 1o81 h LYS 71 Ca 0.15 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 1o81 h LYS 71 Cb 0.11 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1o81 h LYS 71 CO -0.02 0.81 -0.86 0.00 -0.57 0.00 0.00 179.45 178.81 1o81 h ALA 72 N 1.35 0.48 0.00 3.86 0.00 -1.08 -3.41 119.26 120.46 1o81 h ALA 72 Ca 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1o81 h ALA 72 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1o81 h ALA 72 CO -0.08 0.82 -0.27 0.72 0.00 0.00 0.00 179.25 180.45 1o81 n HIS 73 N -3.75 0.00 -0.30 0.00 8.25 -0.40 -4.79 115.22 114.22 1o81 n HIS 73 Ca -0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1o81 n HIS 73 Cb 0.79 0.00 0.21 0.00 1.12 0.00 0.00 29.99 32.11 1o81 n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o81 h ALA 74 N 0.00 1.28 0.17 -1.41 0.00 -1.35 0.19 119.26 118.14 1o81 h ALA 74 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1o81 h ALA 74 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1o81 h ALA 74 CO 0.00 0.02 -0.08 1.49 0.00 0.00 0.00 179.25 180.67 1o81 h GLU 75 N 0.73 -0.22 -0.44 0.00 4.57 -1.84 -0.91 114.58 116.47 1o81 h GLU 75 Ca 0.45 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.52 1o81 h GLU 75 Cb 0.54 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1o81 h GLU 75 CO -0.31 0.20 -0.23 -0.22 -1.18 0.00 0.00 179.01 177.28 1o81 h LYS 76 N -0.85 0.89 -0.05 1.92 1.63 -1.83 -2.57 116.57 115.71 1o81 h LYS 76 Ca -0.02 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1o81 h LYS 76 Cb 0.52 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1o81 h LYS 76 CO 0.04 1.02 0.00 1.63 -3.45 0.00 0.00 179.45 178.69 1o81 n LYS 77 N -4.11 1.71 -3.47 1.90 4.76 0.66 -4.98 118.16 114.63 1o81 n LYS 77 Ca 0.00 -1.04 -0.23 0.00 -2.87 0.00 0.00 58.31 54.18 1o81 n LYS 77 Cb 0.45 -1.46 0.05 0.00 -1.84 0.00 0.00 35.03 32.23 1o81 n LYS 77 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1o81 n ASN 78 N 0.25 -6.03 -4.22 4.39 5.15 -0.43 -4.79 115.26 109.59 1o81 n ASN 78 Ca 0.18 -0.83 -0.13 0.00 -0.60 0.00 0.00 54.58 53.21 1o81 n ASN 78 Cb 0.36 -4.18 -0.10 0.00 -0.53 0.00 0.00 39.78 35.33 1o81 n ASN 78 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1o81 s PHE 79 N -3.38 1.13 0.09 1.20 -0.12 -0.69 -2.15 117.98 114.04 1o81 s PHE 79 Ca 0.42 -1.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 1o81 s PHE 79 Cb -0.11 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 1o81 s PHE 79 CO 0.81 -0.28 -0.09 -2.00 -0.05 0.00 0.00 175.22 173.61 1o81 s GLU 80 N -3.95 0.77 0.00 1.99 2.56 -0.46 -4.72 118.70 114.90 1o81 s GLU 80 Ca 0.24 -1.12 0.07 0.00 0.00 0.00 0.00 54.97 54.17 1o81 s GLU 80 Cb 0.06 -0.40 -0.03 0.00 2.00 0.00 0.00 34.13 35.77 1o81 s GLU 80 CO 0.03 0.05 -0.22 0.08 -0.56 0.00 0.00 175.26 174.64 1o81 s VAL 81 N -2.51 2.44 -0.12 3.70 1.01 -1.26 -1.12 120.40 122.54 1o81 s VAL 81 Ca 0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1o81 s VAL 81 Cb -0.02 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1o81 s VAL 81 CO -0.01 0.47 -0.05 -0.32 0.00 0.00 0.00 175.10 175.19 1o81 s MET 82 N -0.98 1.30 0.12 2.72 1.75 0.29 -1.31 119.30 123.19 1o81 s MET 82 Ca 0.12 -0.25 -0.31 0.00 -1.25 0.00 0.00 55.69 54.00 1o81 s MET 82 Cb -0.10 -1.58 -0.08 0.00 2.84 0.00 0.00 34.83 35.90 1o81 s MET 82 CO 0.01 -0.32 1.43 -1.17 -0.65 0.00 0.00 175.02 174.32 1o81 s LEU 83 N 1.75 4.37 -0.33 4.11 2.96 -0.17 -0.77 118.68 130.60 1o81 s LEU 83 Ca 0.04 2.38 0.02 0.00 -0.22 0.00 0.00 54.13 56.35 1o81 s LEU 83 Cb -0.13 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.06 1o81 s LEU 83 CO -0.08 -0.69 0.03 -0.63 -1.32 0.00 0.00 176.35 173.67 1o81 s ILE 84 N 1.13 2.50 -0.05 6.68 -1.09 0.27 -1.35 121.20 129.30 1o81 s ILE 84 Ca 0.66 -2.02 -0.24 0.00 -2.23 0.00 0.00 60.65 56.81 1o81 s ILE 84 Cb -0.38 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1o81 s ILE 84 CO 0.30 -0.42 0.72 -0.55 -1.23 0.00 0.00 174.94 173.76 1o81 s SER 85 N 1.14 7.03 -0.19 3.58 0.15 -1.26 -2.67 113.70 121.48 1o81 s SER 85 Ca 0.04 1.24 0.13 0.00 0.70 0.00 0.00 55.95 58.06 1o81 s SER 85 Cb -0.20 -2.43 0.70 0.00 -1.71 0.00 0.00 66.02 62.38 1o81 s SER 85 CO -0.06 -0.11 1.57 0.79 1.20 0.00 0.00 173.24 176.63 1o81 n TRP 86 N 3.68 1.72 -1.71 3.44 7.02 -0.32 -4.96 117.44 126.31 1o81 n TRP 86 Ca -0.01 -0.61 -0.35 0.00 -1.02 0.00 0.00 57.50 55.52 1o81 n TRP 86 Cb 0.51 -0.42 0.06 0.00 -2.42 0.00 0.00 31.31 29.05 1o81 n TRP 86 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1o81 s ASP 87 N -0.70 4.75 0.29 -0.99 1.01 -1.26 -4.87 116.67 114.91 1o81 s ASP 87 Ca 0.47 2.29 0.16 0.00 0.71 0.00 0.00 52.55 56.17 1o81 s ASP 87 Cb 0.35 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.79 1o81 s ASP 87 CO 0.15 -1.88 1.46 -0.33 0.21 0.00 0.00 175.17 174.78 1o81 h GLU 88 N 0.20 0.00 -3.51 8.23 5.08 -1.97 -3.48 114.58 119.14 1o81 h GLU 88 Ca -0.48 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1o81 h GLU 88 Cb 1.29 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 1o81 h GLU 88 CO 0.53 0.47 -0.20 -1.54 -1.00 0.00 0.00 179.01 177.27 1o81 s SER 89 N -6.44 -0.10 0.32 1.42 1.04 -1.26 -5.05 113.70 103.63 1o81 s SER 89 Ca 0.04 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1o81 s SER 89 Cb 0.07 0.41 0.54 0.00 0.10 0.00 0.00 66.02 67.14 1o81 s SER 89 CO 0.74 -0.77 1.97 0.00 0.98 0.00 0.00 173.24 176.15 1o81 h ALA 90 N 2.64 1.45 -0.05 5.32 0.00 -1.98 -1.43 119.26 125.21 1o81 h ALA 90 Ca -0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1o81 h ALA 90 Cb 1.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1o81 h ALA 90 CO 0.50 0.48 0.02 1.49 0.00 0.00 0.00 179.25 181.74 1o81 h GLU 91 N 0.93 0.07 -0.61 0.00 4.81 -1.99 -0.77 114.58 117.01 1o81 h GLU 91 Ca 0.24 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1o81 h GLU 91 Cb -0.04 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1o81 h GLU 91 CO -0.05 0.15 0.40 -0.44 -0.73 0.00 0.00 179.01 178.35 1o81 h ASP 92 N -0.03 0.70 -0.22 1.04 3.32 -1.90 -2.14 116.42 117.20 1o81 h ASP 92 Ca 0.02 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1o81 h ASP 92 Cb 0.11 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1o81 h ASP 92 CO -0.00 0.51 0.03 0.15 -1.72 0.00 0.00 179.24 178.20 1o81 h PHE 93 N 0.82 0.05 -0.31 4.55 3.04 -1.07 -1.73 116.94 122.29 1o81 h PHE 93 Ca 0.22 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.21 1o81 h PHE 93 Cb -0.09 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 1o81 h PHE 93 CO -0.03 0.01 0.14 -0.22 -2.02 0.00 0.00 178.31 176.18 1o81 h LYS 94 N 0.11 0.28 -0.63 1.11 3.11 -0.79 -0.09 116.57 119.67 1o81 h LYS 94 Ca 0.10 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.84 1o81 h LYS 94 Cb 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 1o81 h LYS 94 CO -0.14 0.19 0.07 -0.44 -2.81 0.00 0.00 179.45 176.32 1o81 h ASP 95 N 0.29 1.01 -0.02 4.20 3.32 -1.26 -1.98 116.42 121.99 1o81 h ASP 95 Ca 0.13 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1o81 h ASP 95 Cb 0.07 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1o81 h ASP 95 CO -0.11 1.02 -0.08 0.22 -1.72 0.00 0.00 179.24 178.57 1o81 h TYR 96 N 0.98 0.11 0.00 4.55 3.20 -1.06 -3.21 116.97 121.55 1o81 h TYR 96 Ca 0.19 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1o81 h TYR 96 Cb 0.46 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1o81 h TYR 96 CO 0.03 0.74 -0.14 -0.92 -1.64 0.00 0.00 178.16 176.23 1o81 h TYR 97 N -0.55 0.00 0.00 -3.82 3.20 -1.04 -2.35 116.97 112.42 1o81 h TYR 97 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1o81 h TYR 97 Cb 0.75 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1o81 h TYR 97 CO 0.15 0.14 -0.03 0.00 -1.64 0.00 0.00 178.16 176.79 1o81 h ALA 98 N 1.86 1.31 -0.00 1.82 0.00 -1.35 -1.41 119.26 121.48 1o81 h ALA 98 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1o81 h ALA 98 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1o81 h ALA 98 CO 0.02 0.04 -0.09 1.63 0.00 0.00 0.00 179.25 180.84 1o81 n LYS 99 N -3.57 0.42 -4.18 0.00 5.02 -0.88 -4.89 118.16 110.08 1o81 n LYS 99 Ca -0.03 -0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 1o81 n LYS 99 Cb 0.13 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.56 1o81 n LYS 99 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1o81 s MET 100 N -2.65 3.09 0.00 1.97 -1.94 -0.53 -5.03 119.30 114.21 1o81 s MET 100 Ca 0.24 -0.38 0.26 0.00 -1.71 0.00 0.00 55.69 54.11 1o81 s MET 100 Cb 0.20 -2.89 0.74 0.00 2.01 0.00 0.00 34.83 34.88 1o81 s MET 100 CO 0.50 0.70 1.55 -0.35 -0.01 0.00 0.00 175.02 177.41 1o81 n PRO 101 N 1.78 0.91 0.00 2.03 -0.04 -1.26 -4.90 135.00 133.53 1o81 n PRO 101 Ca -0.17 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1o81 n PRO 101 Cb 0.54 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1o81 n PRO 101 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1o81 n TRP 102 N -0.56 0.00 -2.61 0.54 2.14 -1.26 -4.96 117.44 110.74 1o81 n TRP 102 Ca 0.12 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.48 1o81 n TRP 102 Cb 0.36 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 30.90 1o81 n TRP 102 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1o81 s LEU 103 N 0.00 3.23 -0.09 5.67 1.43 -0.43 -4.35 118.68 124.14 1o81 s LEU 103 Ca 0.00 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1o81 s LEU 103 Cb 0.00 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.39 1o81 s LEU 103 CO 0.00 -1.19 0.34 0.00 0.23 0.00 0.00 176.35 175.72 1o81 s ALA 104 N -2.81 -0.84 0.09 4.21 0.00 -0.72 -1.00 121.76 120.70 1o81 s ALA 104 Ca 0.58 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 1o81 s ALA 104 Cb -0.10 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1o81 s ALA 104 CO 0.39 -0.19 1.33 -1.17 0.00 0.00 0.00 175.76 176.12 1o81 s LEU 105 N -0.28 4.37 0.27 0.00 2.96 -0.46 -1.15 118.68 124.39 1o81 s LEU 105 Ca -0.04 2.22 -0.30 0.00 -0.22 0.00 0.00 54.13 55.79 1o81 s LEU 105 Cb -0.03 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 42.94 1o81 s LEU 105 CO 0.02 -0.60 1.22 -2.65 -1.32 0.00 0.00 176.35 173.01 1o81 n PRO 106 N 4.02 1.69 -0.17 0.98 -0.02 -1.26 -4.79 135.00 135.44 1o81 n PRO 106 Ca 0.11 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 1o81 n PRO 106 Cb 0.44 -2.12 0.37 0.00 -0.02 0.00 0.00 33.50 32.16 1o81 n PRO 106 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1o81 h PHE 107 N 3.02 0.73 0.00 6.00 3.57 -1.98 -1.79 116.94 126.50 1o81 h PHE 107 Ca -0.43 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1o81 h PHE 107 Cb 1.31 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1o81 h PHE 107 CO 0.52 0.38 -0.01 0.93 -2.23 0.00 0.00 178.31 177.90 1o81 h GLU 108 N 0.72 0.00 -3.73 1.11 3.07 -2.02 -3.22 114.58 110.51 1o81 h GLU 108 Ca 0.31 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.43 1o81 h GLU 108 Cb 0.28 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.07 1o81 h GLU 108 CO -0.10 0.01 2.34 -3.47 -1.40 0.00 0.00 179.01 176.39 1o81 n ASP 109 N -3.53 4.73 -0.13 1.42 2.03 -0.67 -4.72 116.55 115.68 1o81 n ASP 109 Ca -0.03 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 52.13 1o81 n ASP 109 Cb 0.10 -1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 38.94 1o81 n ASP 109 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1o81 h ARG 110 N 5.89 0.96 -0.09 -0.67 2.47 -1.81 -2.64 114.38 118.48 1o81 h ARG 110 Ca 0.45 -0.48 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 1o81 h ARG 110 Cb 0.64 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1o81 h ARG 110 CO 1.69 1.14 -0.21 0.87 0.56 0.00 0.00 179.97 184.03 1o81 h LYS 111 N 0.79 0.15 -0.45 0.04 1.57 -1.93 -0.80 116.57 115.94 1o81 h LYS 111 Ca 0.07 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1o81 h LYS 111 Cb 0.94 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1o81 h LYS 111 CO 0.09 0.36 -0.16 0.78 -0.57 0.00 0.00 179.45 179.95 1o81 h GLY 112 N 0.81 0.92 1.02 3.86 0.00 -1.92 -0.65 103.07 107.10 1o81 h GLY 112 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1o81 h GLY 112 CO 0.03 0.69 0.27 1.98 0.00 0.00 0.00 176.54 179.51 1o81 h MET 113 N 0.75 1.02 -0.69 4.80 1.85 -1.04 -2.27 114.93 119.35 1o81 h MET 113 Ca 0.11 -0.19 -0.07 0.00 -0.61 0.00 0.00 59.70 58.95 1o81 h MET 113 Cb 0.68 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.52 1o81 h MET 113 CO 0.05 0.85 0.16 0.93 -0.40 0.00 0.00 176.91 178.50 1o81 h GLU 114 N 0.97 1.11 -0.46 0.39 5.08 -0.88 -1.19 114.58 119.60 1o81 h GLU 114 Ca 0.23 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1o81 h GLU 114 Cb 0.21 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1o81 h GLU 114 CO -0.02 0.99 0.27 0.35 -1.00 0.00 0.00 179.01 179.60 1o81 h PHE 115 N 1.04 0.51 -0.21 4.33 3.57 -0.85 -2.09 116.94 123.25 1o81 h PHE 115 Ca 0.22 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.56 1o81 h PHE 115 Cb 0.38 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1o81 h PHE 115 CO 0.03 0.29 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.74 1o81 h LEU 116 N 0.54 0.75 -0.41 0.59 3.38 -1.24 -1.53 115.31 117.40 1o81 h LEU 116 Ca 0.19 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1o81 h LEU 116 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1o81 h LEU 116 CO -0.09 1.17 0.25 0.74 0.09 0.00 0.00 178.44 180.60 1o81 h THR 117 N 0.50 1.12 0.02 0.22 2.02 -1.01 -2.26 112.91 113.52 1o81 h THR 117 Ca 0.00 -0.25 -0.22 0.00 0.77 0.00 0.00 66.41 66.71 1o81 h THR 117 Cb 1.16 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1o81 h THR 117 CO 0.12 0.12 -0.96 0.71 0.37 0.00 0.00 175.52 175.87 1o81 h THR 118 N 0.54 1.50 -0.63 3.16 1.35 -1.44 0.40 112.91 117.79 1o81 h THR 118 Ca 0.15 -2.75 0.06 0.00 -0.55 0.00 0.00 66.41 63.32 1o81 h THR 118 Cb -0.03 2.58 -0.05 0.00 -1.73 0.00 0.00 68.15 68.92 1o81 h THR 118 CO -0.03 0.80 0.33 1.23 -0.25 0.00 0.00 175.52 177.61 1o81 h GLY 119 N 1.82 0.91 -1.93 5.82 0.00 -1.00 -2.57 103.07 106.13 1o81 h GLY 119 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1o81 h GLY 119 CO 0.15 0.13 0.00 0.69 0.00 0.00 0.00 176.54 177.51 1o81 n PHE 120 N -4.83 0.48 -3.61 5.60 3.72 -0.88 -4.96 117.46 112.98 1o81 n PHE 120 Ca 0.08 -0.24 -0.22 0.00 -0.05 0.00 0.00 57.45 57.02 1o81 n PHE 120 Cb 0.18 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 1o81 n PHE 120 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1o81 n ASP 121 N 1.17 -3.01 -4.60 4.37 8.00 -0.97 -4.93 116.55 116.58 1o81 n ASP 121 Ca 0.19 -0.69 -0.43 0.00 0.71 0.00 0.00 54.79 54.57 1o81 n ASP 121 Cb 0.52 -4.61 -0.02 0.00 -0.02 0.00 0.00 41.12 36.99 1o81 n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1o81 s VAL 122 N -3.44 4.28 -0.47 2.53 1.01 0.10 -4.88 120.40 119.53 1o81 s VAL 122 Ca 0.21 1.23 0.13 0.00 0.00 0.00 0.00 61.98 63.55 1o81 s VAL 122 Cb -0.10 -4.56 -0.16 0.00 0.00 0.00 0.00 36.38 31.57 1o81 s VAL 122 CO 0.77 -0.92 0.49 0.29 0.00 0.00 0.00 175.10 175.74 1o81 n LYS 123 N 7.62 2.16 -3.80 2.72 4.76 -1.26 -4.83 118.16 125.53 1o81 n LYS 123 Ca 0.11 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 1o81 n LYS 123 Cb 0.49 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 32.46 1o81 n LYS 123 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1o81 s SER 124 N -2.54 -0.10 0.13 4.39 1.04 -1.26 -5.18 113.70 110.18 1o81 s SER 124 Ca 0.03 -0.59 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1o81 s SER 124 Cb 0.10 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1o81 s SER 124 CO 0.54 -0.91 -0.14 0.27 0.98 0.00 0.00 173.24 173.98 1o81 s ILE 125 N -3.88 1.37 0.32 -1.02 -4.36 -1.26 -4.26 121.20 108.10 1o81 s ILE 125 Ca 0.09 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.41 1o81 s ILE 125 Cb 0.02 -1.61 -0.09 0.00 1.25 0.00 0.00 42.46 42.02 1o81 s ILE 125 CO -0.05 -0.46 1.10 -2.16 0.24 0.00 0.00 174.94 173.61 1o81 s PRO 126 N -2.85 4.46 0.00 0.37 0.04 -1.26 -4.74 135.00 131.02 1o81 s PRO 126 Ca 0.11 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1o81 s PRO 126 Cb -0.04 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 1o81 s PRO 126 CO 0.03 0.07 -0.10 0.99 0.04 0.00 0.00 177.00 178.03 1o81 s THR 127 N -1.31 0.79 -0.14 1.26 2.01 -0.86 -4.97 115.64 112.43 1o81 s THR 127 Ca 0.49 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 1o81 s THR 127 Cb -0.30 -0.68 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1o81 s THR 127 CO 0.38 0.16 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.20 1o81 s LEU 128 N -0.40 1.34 -0.16 4.42 2.96 -1.26 -0.72 118.68 124.85 1o81 s LEU 128 Ca 0.03 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1o81 s LEU 128 Cb -0.05 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 1o81 s LEU 128 CO -0.00 -0.17 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.05 1o81 s VAL 129 N 1.71 2.97 -0.12 1.68 1.01 -0.35 -1.82 120.40 125.48 1o81 s VAL 129 Ca 0.03 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1o81 s VAL 129 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1o81 s VAL 129 CO -0.08 0.50 0.22 -0.83 0.00 0.00 0.00 175.10 174.91 1o81 s GLY 130 N 0.81 2.21 0.07 4.51 0.00 -0.08 -0.55 107.32 114.29 1o81 s GLY 130 Ca -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.16 1o81 s GLY 130 CO 0.01 -0.05 -0.07 -1.34 0.00 0.00 0.00 173.10 171.65 1o81 s VAL 131 N -0.55 0.59 -0.20 1.40 -7.23 0.01 -0.71 120.40 113.72 1o81 s VAL 131 Ca 0.16 -1.51 -0.20 0.00 -1.81 0.00 0.00 61.98 58.62 1o81 s VAL 131 Cb -0.13 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1o81 s VAL 131 CO 0.05 -0.64 0.62 -1.61 -0.31 0.00 0.00 175.10 173.20 1o81 s GLU 132 N -2.73 4.20 0.12 4.82 2.02 -0.25 -1.04 118.70 125.84 1o81 s GLU 132 Ca 0.01 0.59 -0.20 0.00 0.02 0.00 0.00 54.97 55.39 1o81 s GLU 132 Cb -0.02 -3.58 -0.06 0.00 0.10 0.00 0.00 34.13 30.57 1o81 s GLU 132 CO -0.03 -0.24 1.76 0.00 0.02 0.00 0.00 175.26 176.77 1o81 h ALA 133 N 7.51 0.21 0.04 5.21 0.00 -1.59 0.15 119.26 130.79 1o81 h ALA 133 Ca -0.31 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1o81 h ALA 133 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1o81 h ALA 133 CO 0.77 -0.34 -0.02 -0.44 0.00 0.00 0.00 179.25 179.21 1o81 h ASP 134 N 0.18 -0.05 0.93 0.00 3.32 -1.87 -3.29 116.42 115.64 1o81 h ASP 134 Ca 0.07 -0.29 -0.21 0.00 0.02 0.00 0.00 57.03 56.63 1o81 h ASP 134 Cb 0.02 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1o81 h ASP 134 CO -0.06 0.27 -1.13 0.77 -1.72 0.00 0.00 179.24 177.37 1o81 h SER 135 N -0.37 0.00 0.00 6.45 4.64 -1.96 -3.40 113.55 118.90 1o81 h SER 135 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1o81 h SER 135 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1o81 h SER 135 CO 0.01 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1o81 n GLY 136 N 1.38 0.61 3.80 -0.77 0.00 0.04 -4.53 105.19 105.73 1o81 n GLY 136 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1o81 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o81 s ASN 137 N -2.17 5.12 -0.12 1.61 -0.87 -1.24 -4.75 114.94 112.51 1o81 s ASN 137 Ca 0.00 1.70 -0.06 0.00 -1.57 0.00 0.00 52.86 52.93 1o81 s ASN 137 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.68 1o81 s ASN 137 CO 0.00 -1.62 0.11 -0.63 -2.57 0.00 0.00 177.10 172.39 1o81 s ILE 138 N -2.95 5.24 -0.24 0.60 -1.09 -1.26 -1.09 121.20 120.41 1o81 s ILE 138 Ca 0.60 0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.96 1o81 s ILE 138 Cb -0.15 -3.28 -0.14 0.00 -1.58 0.00 0.00 42.46 37.31 1o81 s ILE 138 CO 0.54 0.60 -0.15 -0.38 -1.23 0.00 0.00 174.94 174.32 1o81 n ILE 139 N 2.14 1.52 -3.54 2.92 5.41 0.12 -4.95 119.36 122.98 1o81 n ILE 139 Ca -0.19 -0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 1o81 n ILE 139 Cb 0.54 -2.00 -0.04 0.00 -0.71 0.00 0.00 39.64 37.44 1o81 n ILE 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1o81 s THR 140 N -2.47 0.00 -2.45 1.39 -1.32 -1.20 -1.57 115.64 108.02 1o81 s THR 140 Ca -0.33 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.35 1o81 s THR 140 Cb 0.10 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.30 1o81 s THR 140 CO 0.51 0.00 1.18 0.35 -2.21 0.00 0.00 174.62 174.45 1o81 n THR 141 N 0.23 0.12 -1.91 5.08 -2.24 -1.26 -0.90 114.28 113.39 1o81 n THR 141 Ca -0.09 -0.56 -0.27 0.00 -2.27 0.00 0.00 64.05 60.85 1o81 n THR 141 Cb 0.60 1.32 0.03 0.00 -2.10 0.00 0.00 70.33 70.18 1o81 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o81 n GLN 142 N 1.17 3.37 0.22 -0.78 6.02 -1.25 -4.30 117.38 121.83 1o81 n GLN 142 Ca 0.13 -3.99 0.11 0.00 -0.01 0.00 0.00 57.00 53.24 1o81 n GLN 142 Cb 0.52 -2.28 0.42 0.00 1.02 0.00 0.00 30.24 29.92 1o81 n GLN 142 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o81 h ALA 143 N 2.21 0.98 -0.23 -1.58 0.00 -1.62 -3.23 119.26 115.79 1o81 h ALA 143 Ca 0.42 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1o81 h ALA 143 Cb 1.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1o81 h ALA 143 CO 0.98 0.24 -0.03 -0.09 0.00 0.00 0.00 179.25 180.35 1o81 h ARG 144 N 0.00 0.03 -0.82 0.00 2.43 -1.84 -1.44 114.38 112.74 1o81 h ARG 144 Ca -0.00 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.35 1o81 h ARG 144 Cb 0.80 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.24 1o81 h ARG 144 CO 0.02 0.02 0.31 1.15 -1.51 0.00 0.00 179.97 179.97 1o81 h THR 145 N 0.03 0.55 0.00 0.20 2.02 -1.94 -2.73 112.91 111.04 1o81 h THR 145 Ca 0.11 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 1o81 h THR 145 Cb 0.16 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1o81 h THR 145 CO -0.21 0.07 -0.71 0.24 0.37 0.00 0.00 175.52 175.28 1o81 h MET 146 N 0.39 0.00 -0.77 6.66 2.86 -1.44 -0.78 114.93 121.85 1o81 h MET 146 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1o81 h MET 146 Cb 0.83 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1o81 h MET 146 CO -0.48 0.37 0.49 0.28 1.06 0.00 0.00 176.91 178.63 1o81 h VAL 147 N 0.00 1.21 -0.01 -2.22 2.07 -0.98 0.12 116.25 116.44 1o81 h VAL 147 Ca -0.04 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1o81 h VAL 147 Cb 1.37 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1o81 h VAL 147 CO 0.05 0.21 -0.31 0.58 0.02 0.00 0.00 177.57 178.12 1o81 h VAL 148 N 1.06 1.51 0.00 2.57 2.07 -1.43 -3.27 116.25 118.76 1o81 h VAL 148 Ca 0.28 -1.92 -0.19 0.00 0.82 0.00 0.00 66.70 65.69 1o81 h VAL 148 Cb -0.08 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1o81 h VAL 148 CO -0.06 0.53 -0.91 0.50 0.02 0.00 0.00 177.57 177.66 1o81 h LYS 149 N -0.40 0.00 -2.17 1.57 3.64 -0.97 -3.37 116.57 114.87 1o81 h LYS 149 Ca -0.04 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.78 1o81 h LYS 149 Cb 1.04 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.45 1o81 h LYS 149 CO 0.06 0.91 -0.80 -3.47 -2.27 0.00 0.00 179.45 173.88 1o81 n ASP 150 N -3.44 3.00 0.22 4.20 2.03 0.40 -4.93 116.55 118.03 1o81 n ASP 150 Ca -0.00 -3.36 0.15 0.00 0.52 0.00 0.00 54.79 52.11 1o81 n ASP 150 Cb 0.87 -0.61 0.74 0.00 -0.72 0.00 0.00 41.12 41.40 1o81 n ASP 150 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1o81 h PRO 151 N 3.45 0.00 -0.02 -0.67 0.13 -1.73 -1.19 132.00 131.97 1o81 h PRO 151 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1o81 h PRO 151 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1o81 h PRO 151 CO 0.71 0.00 -0.01 0.39 -0.23 0.00 0.00 178.00 178.87 1o81 n GLU 152 N -2.62 1.69 -2.93 0.86 -0.58 -1.26 -4.96 120.64 110.84 1o81 n GLU 152 Ca -0.01 -1.02 -0.22 0.00 -0.42 0.00 0.00 57.16 55.49 1o81 n GLU 152 Cb 0.15 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.56 1o81 n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1o81 n ALA 153 N 0.24 -0.92 -0.16 0.62 0.00 -0.45 -4.90 120.51 114.93 1o81 n ALA 153 Ca 0.18 0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 1o81 n ALA 153 Cb 0.37 -3.60 0.20 0.00 0.00 0.00 0.00 19.45 16.42 1o81 n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1o81 h LYS 154 N -1.16 0.88 -0.36 0.00 1.57 -1.93 -3.10 116.57 112.47 1o81 h LYS 154 Ca -0.52 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1o81 h LYS 154 Cb 1.36 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1o81 h LYS 154 CO 0.57 0.73 0.00 -0.25 -0.57 0.00 0.00 179.45 179.94 1o81 n ASP 155 N -4.31 3.08 -4.66 0.86 8.00 -1.26 -5.02 116.55 113.24 1o81 n ASP 155 Ca 0.05 -2.10 -0.40 0.00 0.71 0.00 0.00 54.79 53.05 1o81 n ASP 155 Cb 0.18 -0.27 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 1o81 n ASP 155 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1o81 n PHE 156 N 0.48 1.61 -0.08 1.24 -0.00 -1.17 -1.42 117.46 118.12 1o81 n PHE 156 Ca 0.13 0.51 0.02 0.00 -0.00 0.00 0.00 57.45 58.11 1o81 n PHE 156 Cb 0.48 -2.29 0.21 0.00 -0.00 0.00 0.00 39.48 37.89 1o81 n PHE 156 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1o81 n PRO 157 N -0.14 3.02 -2.99 -7.13 -0.04 -1.26 -5.00 135.00 121.46 1o81 n PRO 157 Ca 0.09 -1.75 -0.13 0.00 -0.04 0.00 0.00 63.50 61.67 1o81 n PRO 157 Cb 0.41 -1.90 0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1o81 n PRO 157 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1o81 n TRP 158 N 0.26 -1.95 -1.89 0.54 8.01 -0.50 -4.80 117.44 117.11 1o81 n TRP 158 Ca 0.18 0.72 -0.41 0.00 -1.31 0.00 0.00 57.50 56.68 1o81 n TRP 158 Cb 0.82 -4.02 -0.00 0.00 -2.01 0.00 0.00 31.31 26.10 1o81 n TRP 158 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1o81 s PRO 159 N -4.40 4.10 -1.38 -0.99 0.04 -1.26 -3.73 135.00 127.38 1o81 s PRO 159 Ca 0.27 2.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.69 1o81 s PRO 159 Cb -0.04 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.60 1o81 s PRO 159 CO 0.60 -0.49 0.88 -1.71 0.04 0.00 0.00 177.00 176.33 1o81 n ASN 160 N 0.43 -3.10 0.17 6.66 5.15 -0.61 -4.83 115.26 119.14 1o81 n ASN 160 Ca 0.01 -0.75 0.17 0.00 -0.60 0.00 0.00 54.58 53.41 1o81 n ASN 160 Cb 0.40 -4.23 0.79 0.00 -0.53 0.00 0.00 39.78 36.22 1o81 n ASN 160 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1o81 h VAL 161 N -2.05 0.54 0.00 3.44 2.07 -1.84 -1.34 116.25 117.07 1o81 h VAL 161 Ca -0.59 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1o81 h VAL 161 Cb 1.36 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1o81 h VAL 161 CO 0.59 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.92 1o81 h GLU 162 N 0.00 0.00 0.00 1.57 3.07 -1.92 -2.17 114.58 115.13 1o81 h GLU 162 Ca 0.11 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 1o81 h GLU 162 Cb 0.56 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1o81 h GLU 162 CO -0.00 0.00 -0.11 0.00 -1.40 0.00 0.00 179.01 177.50 1o81 h ALA 163 N 1.83 1.06 -2.74 3.43 0.00 -1.61 -3.45 119.26 117.78 1o81 h ALA 163 Ca 0.00 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 1o81 h ALA 163 Cb 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.03 1o81 h ALA 163 CO 0.00 0.14 0.50 1.63 0.00 0.00 0.00 179.25 181.52 1o81 n LYS 164 N -3.30 1.93 0.00 0.00 4.01 -0.82 -5.23 118.16 114.75 1o81 n LYS 164 Ca -0.00 0.69 0.02 0.00 -0.51 0.00 0.00 58.31 58.51 1o81 n LYS 164 Cb 0.33 -2.40 0.14 0.00 -0.51 0.00 0.00 35.03 32.59 1o81 n LYS 164 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92