#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dho n GLY 2 N 0.00 -0.37 3.72 3.17 0.00 -1.26 -5.01 105.19 105.44 3dho n GLY 2 Ca 0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3dho n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dho s PRO 3 N -1.14 1.37 -0.41 1.61 0.04 -1.26 -4.98 135.00 130.24 3dho s PRO 3 Ca 0.00 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 3dho s PRO 3 Cb 0.00 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.74 3dho s PRO 3 CO 0.00 -2.18 0.77 1.21 0.04 0.00 0.00 177.00 176.84 3dho s ASN 4 N -3.37 6.47 0.07 6.66 3.84 -1.26 -4.94 114.94 122.41 3dho s ASN 4 Ca 0.63 0.10 0.15 0.00 0.21 0.00 0.00 52.86 53.96 3dho s ASN 4 Cb -0.18 -2.38 0.66 0.00 -0.55 0.00 0.00 41.25 38.79 3dho s ASN 4 CO 0.57 -0.81 1.48 -0.81 -2.79 0.00 0.00 177.10 174.74 3dho n PRO 5 N 6.54 0.05 0.00 0.43 -0.04 -1.26 -1.91 135.00 138.81 3dho n PRO 5 Ca 0.02 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3dho n PRO 5 Cb 0.48 -1.61 0.44 0.00 -0.04 0.00 0.00 33.50 32.78 3dho n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dho n MET 6 N -1.70 1.07 -3.04 0.54 2.81 -1.26 -4.41 117.12 111.12 3dho n MET 6 Ca 0.03 -0.61 -0.40 0.00 -1.81 0.00 0.00 57.70 54.91 3dho n MET 6 Cb 0.16 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 3dho n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3dho s LYS 7 N -2.35 4.34 0.40 0.03 1.02 -0.80 -4.79 119.74 117.59 3dho s LYS 7 Ca 0.29 0.82 0.07 0.00 0.02 0.00 0.00 55.97 57.17 3dho s LYS 7 Cb 0.20 -3.51 0.83 0.00 -0.52 0.00 0.00 37.83 34.83 3dho s LYS 7 CO 0.46 -0.10 2.03 0.00 -0.92 0.00 0.00 175.35 176.82 3dho h MET 8 N 7.08 0.52 -3.26 1.68 -0.00 -1.88 -3.33 114.93 115.74 3dho h MET 8 Ca -0.36 -0.04 -0.63 0.00 -0.00 0.00 0.00 59.70 58.66 3dho h MET 8 Cb 1.17 -0.11 -0.41 0.00 -0.00 0.00 0.00 31.60 32.24 3dho h MET 8 CO 0.78 0.38 -0.59 0.71 -0.00 0.00 0.00 176.91 178.18 3dho s TYR 9 N -5.39 3.36 0.30 -0.10 4.12 -1.26 -1.50 117.35 116.89 3dho s TYR 9 Ca -0.08 -3.24 0.30 0.00 0.02 0.00 0.00 57.07 54.07 3dho s TYR 9 Cb 0.17 -2.79 1.41 0.00 -1.52 0.00 0.00 41.96 39.23 3dho s TYR 9 CO 0.73 -0.66 2.02 -1.00 0.02 0.00 0.00 175.55 176.67 3dho h PRO 10 N 6.02 0.00 -4.87 -1.71 0.13 -1.76 -3.41 132.00 126.41 3dho h PRO 10 Ca 0.02 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.50 3dho h PRO 10 Cb 0.83 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.77 3dho h PRO 10 CO 0.71 0.11 -0.54 0.42 -0.23 0.00 0.00 178.00 178.46 3dho s ILE 11 N -3.93 5.04 0.15 -3.56 1.01 -1.26 -4.76 121.20 113.88 3dho s ILE 11 Ca -0.01 -0.02 -0.34 0.00 0.00 0.00 0.00 60.65 60.27 3dho s ILE 11 Cb 0.11 -3.44 -0.15 0.00 0.01 0.00 0.00 42.46 38.99 3dho s ILE 11 CO 0.57 0.21 1.45 1.21 0.00 0.00 0.00 174.94 178.38 3dho n GLU 12 N 5.03 1.75 -0.89 2.79 2.13 -1.26 -1.36 120.64 128.83 3dho n GLU 12 Ca -0.14 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.31 3dho n GLU 12 Cb 0.51 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.90 3dho n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dho n GLY 13 N 2.87 0.71 3.27 8.31 0.00 -1.26 -4.98 105.19 114.10 3dho n GLY 13 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3dho n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dho s ASN 14 N -2.66 4.77 -0.18 1.61 3.84 -0.46 -4.96 114.94 116.90 3dho s ASN 14 Ca 0.00 -0.84 0.16 0.00 0.21 0.00 0.00 52.86 52.39 3dho s ASN 14 Cb 0.00 -1.78 0.58 0.00 -0.55 0.00 0.00 41.25 39.51 3dho s ASN 14 CO 0.00 -0.17 1.49 0.29 -2.79 0.00 0.00 177.10 175.91 3dho n LYS 15 N 4.76 3.37 -0.10 0.43 4.76 -1.26 -4.58 118.16 125.54 3dho n LYS 15 Ca -0.15 -2.86 -0.15 0.00 -2.87 0.00 0.00 58.31 52.28 3dho n LYS 15 Cb 0.47 -1.90 -0.09 0.00 -1.84 0.00 0.00 35.03 31.68 3dho n LYS 15 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3dho n SER 16 N -0.13 2.27 -4.69 4.39 3.41 -1.26 -4.88 113.62 112.74 3dho n SER 16 Ca 0.22 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 3dho n SER 16 Cb 0.92 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3dho n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dho s VAL 17 N -2.39 4.58 -0.03 -3.33 1.01 -1.26 -1.52 120.40 117.46 3dho s VAL 17 Ca -0.27 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.62 3dho s VAL 17 Cb 0.08 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 3dho s VAL 17 CO 0.43 -0.00 -0.14 -1.10 0.00 0.00 0.00 175.10 174.29 3dho s GLN 18 N 2.12 1.33 -0.08 2.72 -0.21 -0.32 -4.34 119.66 120.89 3dho s GLN 18 Ca 0.51 -0.48 -0.27 0.00 0.02 0.00 0.00 55.36 55.14 3dho s GLN 18 Cb -0.21 -1.21 -0.02 0.00 1.00 0.00 0.00 33.01 32.57 3dho s GLN 18 CO 0.19 0.22 0.88 -0.06 -2.12 0.00 0.00 175.29 174.40 3dho s PHE 19 N -0.01 3.55 0.12 0.91 2.99 -0.56 -0.43 117.98 124.56 3dho s PHE 19 Ca -0.01 1.46 -0.09 0.00 0.00 0.00 0.00 56.93 58.29 3dho s PHE 19 Cb -0.09 -3.03 -0.09 0.00 0.00 0.00 0.00 43.02 39.81 3dho s PHE 19 CO 0.01 -0.09 1.33 0.82 -0.00 0.00 0.00 175.22 177.29 3dho h ILE 20 N 4.94 1.32 0.14 0.64 2.04 -1.56 -3.32 117.51 121.71 3dho h ILE 20 Ca -0.36 -2.09 0.02 0.00 1.00 0.00 0.00 64.86 63.42 3dho h ILE 20 Cb 1.18 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 3dho h ILE 20 CO 0.79 0.65 -0.39 0.50 0.00 0.00 0.00 178.15 179.70 3dho h LYS 21 N 0.42 -0.61 -0.03 2.37 3.64 -1.78 -0.93 116.57 119.64 3dho h LYS 21 Ca -0.06 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3dho h LYS 21 Cb 1.43 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 3dho h LYS 21 CO 0.16 -0.41 -0.13 -1.00 -2.27 0.00 0.00 179.45 175.79 3dho h PRO 22 N -0.64 0.04 -0.38 1.90 0.13 -1.77 -0.94 132.00 130.35 3dho h PRO 22 Ca 0.02 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 3dho h PRO 22 Cb 0.66 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3dho h PRO 22 CO -0.21 0.18 -0.06 0.82 -0.23 0.00 0.00 178.00 178.50 3dho h ILE 23 N 0.04 1.27 -0.01 -3.56 2.04 -1.52 -3.24 117.51 112.53 3dho h ILE 23 Ca 0.01 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3dho h ILE 23 Cb 0.26 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3dho h ILE 23 CO 0.02 0.37 -0.16 0.18 0.00 0.00 0.00 178.15 178.56 3dho n LEU 24 N -4.41 1.61 0.12 1.44 4.77 -0.41 -4.31 117.00 115.82 3dho n LEU 24 Ca -0.01 -0.52 0.16 0.00 -0.03 0.00 0.00 56.01 55.60 3dho n LEU 24 Cb 0.33 -0.04 0.70 0.00 -2.33 0.00 0.00 43.42 42.07 3dho n LEU 24 CO 0.41 0.28 1.14 -0.08 -1.33 0.00 0.00 177.39 177.82 3dho h GLU 25 N 2.28 0.00 0.00 3.23 4.81 -1.21 -0.38 114.58 123.32 3dho h GLU 25 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dho h GLU 25 Cb 0.61 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3dho h GLU 25 CO 0.00 0.00 -0.01 1.57 -0.73 0.00 0.00 179.01 179.84 3dho h LYS 26 N 0.00 0.00 -6.08 1.92 2.10 -1.82 -3.45 116.57 109.24 3dho h LYS 26 Ca 0.14 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.23 3dho h LYS 26 Cb 0.59 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.86 3dho h LYS 26 CO -0.00 0.01 0.22 -0.51 -2.00 0.00 0.00 179.45 177.17 3dho s LEU 27 N -6.23 4.29 0.55 7.07 1.43 -0.15 -5.04 118.68 120.59 3dho s LEU 27 Ca -0.00 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 3dho s LEU 27 Cb 0.10 -3.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3dho s LEU 27 CO 0.52 -0.22 1.32 -1.61 0.23 0.00 0.00 176.35 176.60 3dho s GLU 28 N 1.18 3.13 -1.68 1.70 2.02 -1.26 -3.51 118.70 120.29 3dho s GLU 28 Ca 0.41 2.15 0.00 0.00 0.02 0.00 0.00 54.97 57.54 3dho s GLU 28 Cb -0.18 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.84 3dho s GLU 28 CO 0.19 -1.17 0.00 0.09 0.02 0.00 0.00 175.26 174.39 3dho n ASN 29 N -1.10 -5.38 -4.06 -0.19 3.02 -1.26 -4.96 115.26 101.33 3dho n ASN 29 Ca 0.11 0.08 -0.24 0.00 -0.03 0.00 0.00 54.58 54.50 3dho n ASN 29 Cb 0.46 -4.46 -0.16 0.00 -0.61 0.00 0.00 39.78 35.01 3dho n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dho s VAL 30 N -2.89 1.11 -0.04 2.41 1.01 -1.23 -1.68 120.40 119.10 3dho s VAL 30 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3dho s VAL 30 Cb 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3dho s VAL 30 CO 0.00 0.34 -0.07 -0.70 0.00 0.00 0.00 175.10 174.67 3dho s GLU 31 N 0.25 0.99 -0.02 2.72 2.56 -0.44 -4.94 118.70 119.82 3dho s GLU 31 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.97 54.72 3dho s GLU 31 Cb -0.11 -0.92 0.01 0.00 2.00 0.00 0.00 34.13 35.10 3dho s GLU 31 CO 0.02 -0.01 -0.05 0.08 -0.56 0.00 0.00 175.26 174.74 3dho s VAL 32 N 0.65 0.45 0.54 3.70 1.01 -1.25 -0.54 120.40 124.96 3dho s VAL 32 Ca -0.10 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 3dho s VAL 32 Cb -0.13 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 3dho s VAL 32 CO 0.01 0.16 1.05 -0.83 0.00 0.00 0.00 175.10 175.49 3dho s GLY 33 N 0.35 2.31 0.67 4.51 0.00 0.39 -4.78 107.32 110.77 3dho s GLY 33 Ca -0.04 0.50 -0.17 0.00 0.00 0.00 0.00 44.72 45.01 3dho s GLY 33 CO -0.00 0.82 1.26 -0.54 0.00 0.00 0.00 173.10 174.64 3dho s GLU 34 N -3.68 2.45 0.00 2.90 8.01 -1.26 -3.40 118.70 123.72 3dho s GLU 34 Ca 0.65 1.96 0.00 0.00 0.01 0.00 0.00 54.97 57.60 3dho s GLU 34 Cb -0.16 -1.85 0.00 0.00 -4.31 0.00 0.00 34.13 27.81 3dho s GLU 34 CO 0.29 -1.65 0.00 0.66 0.01 0.00 0.00 175.26 174.57 3dho n TYR 35 N -2.13 0.00 -1.73 1.61 4.02 -1.26 -2.23 117.16 115.44 3dho n TYR 35 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 3dho n TYR 35 Cb 0.49 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.61 3dho n TYR 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3dho n SER 36 N 0.00 3.66 -4.23 7.72 7.64 -1.22 -4.57 113.62 122.63 3dho n SER 36 Ca 0.00 1.13 -0.16 0.00 1.01 0.00 0.00 58.87 60.85 3dho n SER 36 Cb 0.00 -1.56 -0.11 0.00 -1.01 0.00 0.00 64.21 61.54 3dho n SER 36 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3dho s TYR 37 N 0.17 1.30 -0.08 1.43 -0.85 -0.40 -1.38 117.35 117.54 3dho s TYR 37 Ca 0.67 -0.63 0.04 0.00 -0.52 0.00 0.00 57.07 56.63 3dho s TYR 37 Cb -0.53 -0.68 -0.01 0.00 0.38 0.00 0.00 41.96 41.12 3dho s TYR 37 CO 0.46 0.11 -0.21 -0.47 -1.52 0.00 0.00 175.55 173.92 3dho s TYR 38 N -2.54 2.57 -0.58 -3.49 5.04 0.43 -0.95 117.35 117.84 3dho s TYR 38 Ca 0.11 -0.65 -0.16 0.00 -2.44 0.00 0.00 57.07 53.93 3dho s TYR 38 Cb -0.02 -1.67 0.13 0.00 0.35 0.00 0.00 41.96 40.75 3dho s TYR 38 CO 0.02 -0.17 0.57 0.34 -1.34 0.00 0.00 175.55 174.97 3dho s ASP 39 N -0.10 6.25 0.31 4.32 2.15 -0.49 -1.17 116.67 127.94 3dho s ASP 39 Ca -0.04 -1.81 -0.30 0.00 0.43 0.00 0.00 52.55 50.83 3dho s ASP 39 Cb -0.14 -2.23 -0.11 0.00 -0.30 0.00 0.00 42.92 40.14 3dho s ASP 39 CO 0.04 -0.88 1.58 -0.55 -0.17 0.00 0.00 175.17 175.19 3dho s SER 40 N 3.48 6.34 -0.07 -0.34 0.15 -0.58 -2.23 113.70 120.45 3dho s SER 40 Ca 0.06 2.99 -0.20 0.00 0.70 0.00 0.00 55.95 59.50 3dho s SER 40 Cb -0.27 -2.64 -0.16 0.00 -1.71 0.00 0.00 66.02 61.24 3dho s SER 40 CO 0.02 -0.92 0.78 0.50 1.20 0.00 0.00 173.24 174.82 3dho h LYS 41 N 4.47 -0.15 0.00 5.44 3.64 -1.90 -3.41 116.57 124.65 3dho h LYS 41 Ca -0.48 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3dho h LYS 41 Cb 1.22 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3dho h LYS 41 CO 0.76 0.32 -0.11 0.09 -2.27 0.00 0.00 179.45 178.24 3dho n ASN 42 N -4.86 1.23 0.00 4.20 3.02 -1.26 -4.97 115.26 112.62 3dho n ASN 42 Ca -0.07 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3dho n ASN 42 Cb 0.27 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3dho n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 43 N -0.56 0.15 3.76 7.41 0.00 -1.26 -5.07 105.19 109.61 3dho n GLY 43 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3dho n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dho s GLU 44 N -0.98 3.46 0.36 1.61 1.03 -1.26 -5.01 118.70 117.90 3dho s GLU 44 Ca 0.00 2.15 -0.10 0.00 0.03 0.00 0.00 54.97 57.05 3dho s GLU 44 Cb 0.00 -2.42 -0.07 0.00 -0.80 0.00 0.00 34.13 30.85 3dho s GLU 44 CO 0.00 -0.90 0.71 0.95 -1.33 0.00 0.00 175.26 174.69 3dho s THR 45 N -1.33 4.82 0.45 1.83 -4.23 -1.26 -4.75 115.64 111.16 3dho s THR 45 Ca 0.66 0.58 0.21 0.00 -1.18 0.00 0.00 61.69 61.96 3dho s THR 45 Cb -0.38 -3.70 0.25 0.00 1.34 0.00 0.00 72.50 70.00 3dho s THR 45 CO 0.46 -0.40 2.06 0.15 -0.54 0.00 0.00 174.62 176.35 3dho h PHE 46 N 1.58 0.00 -0.87 3.99 3.57 -1.97 -1.42 116.94 121.82 3dho h PHE 46 Ca -0.47 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.26 3dho h PHE 46 Cb 1.18 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 3dho h PHE 46 CO 0.60 0.13 0.61 0.38 -2.23 0.00 0.00 178.31 177.80 3dho h ASP 47 N 0.00 0.16 0.54 0.41 2.03 -1.94 -0.00 116.42 117.61 3dho h ASP 47 Ca -0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 3dho h ASP 47 Cb 0.29 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 3dho h ASP 47 CO 0.02 0.06 0.00 0.11 -1.03 0.00 0.00 179.24 178.40 3dho h LYS 48 N 0.15 0.00 -0.01 4.15 1.79 -1.65 -2.94 116.57 118.05 3dho h LYS 48 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 3dho h LYS 48 Cb 1.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 3dho h LYS 48 CO -0.07 0.00 -0.41 1.04 -1.08 0.00 0.00 179.45 178.92 3dho n GLN 49 N -2.43 1.18 -3.51 3.15 1.13 -0.02 -4.80 117.38 112.09 3dho n GLN 49 Ca 0.01 -0.93 -0.41 0.00 -1.94 0.00 0.00 57.00 53.72 3dho n GLN 49 Cb 0.18 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 28.94 3dho n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dho s ILE 50 N -2.46 5.24 -0.03 5.09 1.01 -1.11 -1.33 121.20 127.60 3dho s ILE 50 Ca 0.20 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3dho s ILE 50 Cb 0.18 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3dho s ILE 50 CO 0.55 -0.11 -0.12 -0.76 0.00 0.00 0.00 174.94 174.50 3dho s LEU 51 N 1.70 2.90 -1.43 2.97 1.43 -0.13 -4.69 118.68 121.42 3dho s LEU 51 Ca 0.06 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3dho s LEU 51 Cb -0.18 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3dho s LEU 51 CO 0.10 0.33 0.59 -1.22 0.23 0.00 0.00 176.35 176.37 3dho n TYR 52 N 2.04 -1.85 -3.40 0.29 0.53 -1.26 -1.04 117.16 112.47 3dho n TYR 52 Ca -0.17 0.50 -0.44 0.00 -1.02 0.00 0.00 57.90 56.77 3dho n TYR 52 Cb 0.52 -4.27 -0.07 0.00 -1.03 0.00 0.00 39.34 34.49 3dho n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 3dho s HIS 53 N -3.14 3.26 -0.15 -0.72 2.46 -1.26 -0.41 115.29 115.33 3dho s HIS 53 Ca 0.29 -1.10 0.00 0.00 0.47 0.00 0.00 55.06 54.72 3dho s HIS 53 Cb -0.13 -3.30 -0.01 0.00 -0.13 0.00 0.00 32.58 29.02 3dho s HIS 53 CO 0.36 -0.86 -0.15 0.71 -2.47 0.00 0.00 174.74 172.33 3dho s TYR 54 N 1.60 2.79 0.36 3.88 2.02 -1.26 -5.02 117.35 121.71 3dho s TYR 54 Ca 0.04 -0.94 0.13 0.00 -0.37 0.00 0.00 57.07 55.94 3dho s TYR 54 Cb -0.26 -1.88 0.98 0.00 -0.40 0.00 0.00 41.96 40.40 3dho s TYR 54 CO 0.05 -0.41 1.75 -1.35 -1.57 0.00 0.00 175.55 174.03 3dho h PRO 55 N 7.16 0.49 -0.17 -1.71 0.11 -1.93 -1.23 132.00 134.72 3dho h PRO 55 Ca -0.30 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.81 3dho h PRO 55 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3dho h PRO 55 CO 0.56 0.33 0.12 0.97 -0.21 0.00 0.00 178.00 179.77 3dho h ILE 56 N 0.51 0.95 0.00 4.15 6.09 -1.99 0.13 117.51 127.35 3dho h ILE 56 Ca 0.61 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 64.08 3dho h ILE 56 Cb 1.33 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.50 3dho h ILE 56 CO -0.38 0.01 0.00 0.18 -3.07 0.00 0.00 178.15 174.89 3dho n LEU 57 N -4.50 0.78 -1.16 2.19 4.77 -0.47 -4.92 117.00 113.70 3dho n LEU 57 Ca 0.01 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.43 3dho n LEU 57 Cb 0.21 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3dho n LEU 57 CO 0.35 -0.19 -0.13 -3.20 -1.33 0.00 0.00 177.39 172.89 3dho n ASN 58 N -2.24 -4.85 -4.77 -1.43 4.05 0.03 -4.98 115.26 101.08 3dho n ASN 58 Ca 0.05 0.34 -0.38 0.00 0.45 0.00 0.00 54.58 55.04 3dho n ASN 58 Cb 0.42 -3.98 -0.04 0.00 1.23 0.00 0.00 39.78 37.41 3dho n ASN 58 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 3dho s ASP 59 N -2.33 7.03 0.03 1.20 3.84 -1.26 -5.04 116.67 120.14 3dho s ASP 59 Ca 0.00 2.15 0.03 0.00 -0.00 0.00 0.00 52.55 54.74 3dho s ASP 59 Cb 0.00 -2.61 -0.04 0.00 -1.38 0.00 0.00 42.92 38.90 3dho s ASP 59 CO 0.00 -0.30 -0.03 -0.54 -0.00 0.00 0.00 175.17 174.30 3dho s LYS 60 N -1.94 2.60 -0.15 2.11 -0.14 -1.26 -4.92 119.74 116.04 3dho s LYS 60 Ca 0.51 -0.74 -0.00 0.00 -1.36 0.00 0.00 55.97 54.37 3dho s LYS 60 Cb -0.27 -2.56 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 3dho s LYS 60 CO 0.34 0.59 -0.13 -1.17 -0.76 0.00 0.00 175.35 174.22 3dho s LEU 61 N -1.78 2.62 -0.04 3.17 2.96 -0.68 -0.89 118.68 124.04 3dho s LEU 61 Ca 0.21 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3dho s LEU 61 Cb -0.11 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 3dho s LEU 61 CO 0.12 0.11 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.35 3dho s LYS 62 N 0.70 1.62 -0.04 1.98 2.20 -0.11 -1.33 119.74 124.76 3dho s LYS 62 Ca -0.06 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 3dho s LYS 62 Cb -0.15 -1.42 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 3dho s LYS 62 CO 0.02 0.20 -0.13 0.42 -0.36 0.00 0.00 175.35 175.50 3dho s ILE 63 N 0.12 1.10 0.00 5.43 1.01 0.30 -0.12 121.20 129.04 3dho s ILE 63 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3dho s ILE 63 Cb -0.11 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.39 3dho s ILE 63 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3dho n GLY 64 N 3.34 -1.38 3.92 6.18 0.00 -0.36 -0.46 105.19 116.43 3dho n GLY 64 Ca -0.19 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 3dho n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dho s LYS 65 N -1.69 3.56 -1.47 1.61 1.02 -1.26 -2.48 119.74 119.03 3dho s LYS 65 Ca 0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.82 3dho s LYS 65 Cb 0.00 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 3dho s LYS 65 CO 0.00 0.16 0.41 1.19 -0.92 0.00 0.00 175.35 176.19 3dho n PHE 66 N -1.35 -1.71 -3.04 3.18 3.72 -0.95 -0.97 117.46 116.34 3dho n PHE 66 Ca -0.03 0.36 -0.32 0.00 -0.05 0.00 0.00 57.45 57.42 3dho n PHE 66 Cb 0.55 -3.84 -0.05 0.00 -0.94 0.00 0.00 39.48 35.20 3dho n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dho s SER 68 N -2.58 4.57 -0.26 0.00 0.01 -0.29 -1.28 113.70 113.88 3dho s SER 68 Ca 0.53 -1.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 3dho s SER 68 Cb -0.10 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.53 3dho s SER 68 CO 0.22 -0.21 0.02 -0.63 0.41 0.00 0.00 173.24 173.05 3dho s ILE 69 N 1.14 3.64 0.88 1.44 1.01 -0.12 -0.60 121.20 128.59 3dho s ILE 69 Ca -0.08 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3dho s ILE 69 Cb -0.20 -2.79 0.12 0.00 0.01 0.00 0.00 42.46 39.60 3dho s ILE 69 CO -0.04 0.24 1.11 -0.83 0.00 0.00 0.00 174.94 175.42 3dho s GLY 70 N 1.48 1.60 0.38 6.18 0.00 0.33 -1.39 107.32 115.90 3dho s GLY 70 Ca 0.04 -0.31 -0.27 0.00 0.00 0.00 0.00 44.72 44.17 3dho s GLY 70 CO -0.00 0.19 1.41 2.56 0.00 0.00 0.00 173.10 177.26 3dho s PRO 71 N -5.14 4.06 0.00 2.90 0.04 -0.95 -3.01 135.00 132.91 3dho s PRO 71 Ca 0.63 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.08 3dho s PRO 71 Cb -0.16 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3dho s PRO 71 CO 0.55 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3dho n GLY 72 N 0.58 1.53 3.61 0.56 0.00 -1.26 -0.65 105.19 109.56 3dho n GLY 72 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 3dho n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dho n VAL 73 N -2.00 0.65 -5.00 1.61 0.31 -1.16 -4.35 118.33 108.38 3dho n VAL 73 Ca 0.00 -0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 63.87 3dho n VAL 73 Cb 0.00 -1.02 -0.15 0.00 -0.91 0.00 0.00 33.84 31.76 3dho n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dho s THR 74 N 0.06 2.09 -0.24 2.52 -4.23 -0.49 -4.80 115.64 110.55 3dho s THR 74 Ca 0.75 -1.30 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 3dho s THR 74 Cb -0.82 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.27 3dho s THR 74 CO 0.49 0.42 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.29 3dho s ILE 75 N -0.75 2.91 -0.39 2.99 1.01 -0.44 -1.00 121.20 125.54 3dho s ILE 75 Ca 0.11 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 3dho s ILE 75 Cb -0.10 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.95 3dho s ILE 75 CO 0.01 0.28 0.29 -0.63 0.00 0.00 0.00 174.94 174.89 3dho s ILE 76 N 1.36 5.26 0.50 2.92 -1.09 0.62 -0.96 121.20 129.80 3dho s ILE 76 Ca 0.02 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.94 3dho s ILE 76 Cb -0.16 -3.86 0.10 0.00 -1.58 0.00 0.00 42.46 36.96 3dho s ILE 76 CO -0.05 -0.21 0.68 0.23 -1.23 0.00 0.00 174.94 174.36 3dho n MET 77 N 5.17 -0.04 0.00 2.79 2.81 -0.21 -2.39 117.12 125.26 3dho n MET 77 Ca -0.11 -1.66 0.14 0.00 -1.81 0.00 0.00 57.70 54.25 3dho n MET 77 Cb 0.48 -0.51 0.81 0.00 -0.71 0.00 0.00 33.22 33.28 3dho n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dho n ASN 78 N -3.06 0.00 0.00 7.83 3.02 -1.22 -4.20 115.26 117.63 3dho n ASN 78 Ca 0.11 -0.70 0.10 0.00 -0.03 0.00 0.00 54.58 54.06 3dho n ASN 78 Cb 0.38 -0.07 0.45 0.00 -0.61 0.00 0.00 39.78 39.92 3dho n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 79 N 0.84 -1.12 0.93 7.41 0.00 0.45 -2.09 105.19 111.62 3dho n GLY 79 Ca 0.19 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3dho n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dho n ALA 80 N -1.44 2.47 -1.95 4.61 0.00 -1.26 -4.97 120.51 117.96 3dho n ALA 80 Ca 0.06 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 3dho n ALA 80 Cb 0.21 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 3dho n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3dho s ASN 81 N -1.95 6.73 0.28 0.00 0.01 -0.89 -5.02 114.94 114.10 3dho s ASN 81 Ca 0.30 2.55 -0.05 0.00 -0.71 0.00 0.00 52.86 54.95 3dho s ASN 81 Cb 0.20 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 3dho s ASN 81 CO 0.30 -0.66 0.54 -1.00 -1.51 0.00 0.00 177.10 174.77 3dho s HIS 82 N 0.30 3.48 0.28 2.20 3.76 -1.26 -5.05 115.29 119.00 3dho s HIS 82 Ca 0.61 0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 55.84 3dho s HIS 82 Cb -0.40 -2.08 -0.10 0.00 1.11 0.00 0.00 32.58 31.11 3dho s HIS 82 CO 0.39 0.19 1.39 0.50 -0.85 0.00 0.00 174.74 176.36 3dho s ARG 83 N -3.52 4.30 0.00 1.40 3.52 -1.26 -4.95 118.95 118.44 3dho s ARG 83 Ca 0.43 2.27 0.05 0.00 -0.13 0.00 0.00 55.73 58.35 3dho s ARG 83 Cb -0.11 -3.09 0.08 0.00 -1.56 0.00 0.00 34.95 30.27 3dho s ARG 83 CO 0.30 -0.34 1.03 0.00 -0.81 0.00 0.00 175.30 175.48 3dho n MET 84 N 1.72 0.00 0.00 5.12 0.00 -1.26 -4.01 117.12 118.69 3dho n MET 84 Ca 0.04 -1.18 0.12 0.00 0.00 0.00 0.00 57.70 56.69 3dho n MET 84 Cb 0.41 -0.40 0.54 0.00 0.00 0.00 0.00 33.22 33.76 3dho n MET 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3dho n ASP 85 N 0.09 0.00 0.00 3.17 5.75 -1.26 -4.87 116.55 119.43 3dho n ASP 85 Ca 0.01 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 3dho n ASP 85 Cb 0.78 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3dho n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dho n GLY 86 N 1.07 4.07 3.76 6.12 0.00 -1.26 -5.13 105.19 113.83 3dho n GLY 86 Ca 0.06 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3dho n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dho s SER 87 N 1.50 6.42 0.00 1.61 0.15 -1.26 -4.91 113.70 117.21 3dho s SER 87 Ca 0.00 2.94 0.29 0.00 0.70 0.00 0.00 55.95 59.88 3dho s SER 87 Cb 0.00 -2.65 1.32 0.00 -1.71 0.00 0.00 66.02 62.99 3dho s SER 87 CO 0.00 -0.84 1.91 0.35 1.20 0.00 0.00 173.24 175.85 3dho n THR 88 N 1.37 0.00 -2.28 6.45 -2.24 -1.26 -4.65 114.28 111.67 3dho n THR 88 Ca 0.04 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3dho n THR 88 Cb 0.39 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 3dho n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dho s TYR 89 N -2.26 2.98 -1.34 4.78 6.14 -1.26 -4.73 117.35 121.66 3dho s TYR 89 Ca 0.35 0.94 -0.12 0.00 0.64 0.00 0.00 57.07 58.88 3dho s TYR 89 Cb 0.21 -3.60 0.12 0.00 0.42 0.00 0.00 41.96 39.11 3dho s TYR 89 CO 0.42 -2.13 1.96 -0.35 0.64 0.00 0.00 175.55 176.09 3dho n PRO 90 N 5.18 3.32 -0.28 4.97 -0.04 -1.26 -4.80 135.00 142.09 3dho n PRO 90 Ca 0.12 -3.22 0.09 0.00 -0.04 0.00 0.00 63.50 60.45 3dho n PRO 90 Cb 0.44 -3.09 0.23 0.00 -0.04 0.00 0.00 33.50 31.04 3dho n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3dho h PHE 91 N 6.03 0.24 -0.78 0.54 -1.00 -1.91 -1.72 116.94 118.35 3dho h PHE 91 Ca 0.45 0.05 0.15 0.00 2.81 0.00 0.00 57.97 61.43 3dho h PHE 91 Cb 0.66 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.19 3dho h PHE 91 CO 1.32 -0.18 0.52 -2.95 -1.61 0.00 0.00 178.31 175.41 3dho h ASN 92 N 0.21 0.41 -0.18 2.17 -1.07 -1.79 -1.46 115.58 113.87 3dho h ASN 92 Ca 0.48 0.02 0.05 0.00 0.07 0.00 0.00 56.30 56.93 3dho h ASN 92 Cb 0.90 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 37.09 3dho h ASN 92 CO -0.61 0.21 0.17 -0.07 0.07 0.00 0.00 177.43 177.19 3dho h LEU 93 N 0.44 0.00 -1.07 6.14 3.38 -1.61 -2.97 115.31 119.62 3dho h LEU 93 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3dho h LEU 93 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dho h LEU 93 CO -0.13 0.00 -0.08 0.49 0.09 0.00 0.00 178.44 178.82 3dho n PHE 94 N -4.02 0.00 -3.47 1.13 3.01 -0.55 -5.02 117.46 108.54 3dho n PHE 94 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3dho n PHE 94 Cb 0.29 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3dho n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dho n GLY 95 N 1.25 2.58 3.69 1.37 0.00 -1.12 -4.88 105.19 108.08 3dho n GLY 95 Ca 0.16 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3dho n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dho n ASN 96 N 0.40 -3.55 0.00 1.61 3.02 -1.26 -0.95 115.26 114.53 3dho n ASN 96 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3dho n ASN 96 Cb 0.00 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 3dho n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 97 N -1.26 2.74 0.00 7.41 0.00 -1.26 -4.92 105.19 107.91 3dho n GLY 97 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3dho n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dho n TRP 98 N -0.74 0.02 0.31 1.61 8.01 -0.12 -3.51 117.44 123.01 3dho n TRP 98 Ca 0.00 0.01 0.19 0.00 -1.31 0.00 0.00 57.50 56.38 3dho n TRP 98 Cb 0.00 -0.51 1.05 0.00 -2.01 0.00 0.00 31.31 29.84 3dho n TRP 98 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 3dho h GLU 99 N 0.00 0.00 0.00 -0.99 9.09 -1.72 -0.20 114.58 120.76 3dho h GLU 99 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dho h GLU 99 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3dho h GLU 99 CO 0.00 0.00 0.00 1.57 0.05 0.00 0.00 179.01 180.63 3dho h LYS 100 N 0.00 0.00 -0.86 1.06 2.10 -1.90 -2.97 116.57 114.01 3dho h LYS 100 Ca 0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 3dho h LYS 100 Cb 0.06 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.30 3dho h LYS 100 CO -0.00 0.00 0.19 0.72 -2.00 0.00 0.00 179.45 178.36 3dho n HIS 101 N -2.46 1.60 -1.88 0.07 8.25 -0.09 -4.95 115.22 115.76 3dho n HIS 101 Ca -0.00 -0.86 -0.41 0.00 -0.26 0.00 0.00 57.72 56.18 3dho n HIS 101 Cb 0.13 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 30.72 3dho n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dho s MET 102 N -2.09 4.17 0.45 -0.41 0.23 -1.12 -4.53 119.30 116.00 3dho s MET 102 Ca 0.35 2.48 -0.23 0.00 -1.03 0.00 0.00 55.69 57.27 3dho s MET 102 Cb 0.28 -3.01 -0.08 0.00 -1.53 0.00 0.00 34.83 30.50 3dho s MET 102 CO 0.09 -0.47 1.11 -1.25 -2.03 0.00 0.00 175.02 172.47 3dho s PRO 103 N -1.70 3.85 0.48 3.16 0.04 -1.26 -5.04 135.00 134.53 3dho s PRO 103 Ca 0.54 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 3dho s PRO 103 Cb -0.45 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3dho s PRO 103 CO 0.58 -0.44 1.01 0.15 0.04 0.00 0.00 177.00 178.34 3dho s LYS 104 N -2.75 3.89 0.33 4.56 1.02 -1.26 -4.94 119.74 120.58 3dho s LYS 104 Ca 0.63 1.27 0.09 0.00 0.02 0.00 0.00 55.97 57.98 3dho s LYS 104 Cb -0.25 -2.12 0.83 0.00 -0.52 0.00 0.00 37.83 35.78 3dho s LYS 104 CO 0.30 -0.34 1.78 -0.07 -0.92 0.00 0.00 175.35 176.10 3dho h LEU 105 N 1.56 0.70 0.00 3.17 3.38 -1.96 0.29 115.31 122.45 3dho h LEU 105 Ca -0.49 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3dho h LEU 105 Cb 1.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dho h LEU 105 CO 0.60 0.23 0.00 -0.90 0.09 0.00 0.00 178.44 178.46 3dho n ASP 106 N -4.72 0.00 -0.13 -0.43 5.68 -1.26 -1.83 116.55 113.85 3dho n ASP 106 Ca 0.23 -0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.42 3dho n ASP 106 Cb 0.63 -0.20 0.14 0.00 -1.14 0.00 0.00 41.12 40.54 3dho n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dho n GLN 107 N -1.20 0.38 -2.98 0.11 6.02 1.00 -4.38 117.38 116.32 3dho n GLN 107 Ca 0.12 -0.27 -0.26 0.00 -0.01 0.00 0.00 57.00 56.58 3dho n GLN 107 Cb 0.14 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 3dho n GLN 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3dho n LEU 108 N -1.08 4.18 -4.77 1.08 4.77 -0.76 -4.55 117.00 115.87 3dho n LEU 108 Ca 0.07 -5.63 -0.41 0.00 -0.03 0.00 0.00 56.01 50.02 3dho n LEU 108 Cb 0.36 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3dho n LEU 108 CO 0.34 2.34 1.08 -2.16 -1.33 0.00 0.00 177.39 177.67 3dho s PRO 109 N -3.35 4.20 0.53 3.23 0.04 -1.25 -4.97 135.00 133.43 3dho s PRO 109 Ca 0.48 2.45 -0.13 0.00 0.04 0.00 0.00 61.00 63.83 3dho s PRO 109 Cb 0.28 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 3dho s PRO 109 CO -0.13 -0.42 0.96 0.96 0.04 0.00 0.00 177.00 178.42 3dho s ILE 110 N -1.09 4.65 -1.35 0.56 -4.36 -1.26 -4.94 121.20 113.41 3dho s ILE 110 Ca 0.52 0.97 0.29 0.00 -0.26 0.00 0.00 60.65 62.17 3dho s ILE 110 Cb -0.44 -3.78 0.46 0.00 1.25 0.00 0.00 42.46 39.95 3dho s ILE 110 CO 0.59 -0.84 2.01 0.29 0.24 0.00 0.00 174.94 177.24 3dho n LYS 111 N -1.98 0.34 0.00 0.37 5.02 -1.26 -5.02 118.16 115.62 3dho n LYS 111 Ca 0.05 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3dho n LYS 111 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3dho n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dho n GLY 112 N 1.27 -0.04 3.87 0.72 0.00 -1.26 -4.40 105.19 105.35 3dho n GLY 112 Ca 0.13 -2.28 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 3dho n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dho s ASP 113 N -2.14 6.15 -0.23 1.61 1.01 -1.26 -3.66 116.67 118.14 3dho s ASP 113 Ca 0.00 1.36 -0.06 0.00 0.71 0.00 0.00 52.55 54.56 3dho s ASP 113 Cb 0.00 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 3dho s ASP 113 CO 0.00 -0.91 0.04 -0.89 0.21 0.00 0.00 175.17 173.62 3dho s THR 114 N -3.18 4.06 -0.21 -1.27 2.01 -0.07 -3.55 115.64 113.43 3dho s THR 114 Ca 0.55 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.29 3dho s THR 114 Cb -0.11 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.57 3dho s THR 114 CO 0.53 0.37 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.15 3dho s ILE 115 N 1.47 1.38 -0.17 1.82 1.01 -0.44 -0.94 121.20 125.33 3dho s ILE 115 Ca 0.05 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 3dho s ILE 115 Cb -0.15 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3dho s ILE 115 CO 0.02 -0.02 0.02 -0.63 0.00 0.00 0.00 174.94 174.33 3dho s ILE 116 N 1.48 4.42 0.00 2.92 1.01 0.83 -0.23 121.20 131.63 3dho s ILE 116 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3dho s ILE 116 Cb -0.18 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3dho s ILE 116 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3dho n GLY 117 N 3.51 -1.31 3.87 6.18 0.00 0.80 -1.23 105.19 117.01 3dho n GLY 117 Ca -0.17 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 3dho n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dho s ASN 118 N -1.19 6.63 -1.49 1.61 0.01 -1.26 -2.29 114.94 116.96 3dho s ASN 118 Ca 0.00 0.85 -0.07 0.00 -0.71 0.00 0.00 52.86 52.94 3dho s ASN 118 Cb 0.00 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.48 3dho s ASN 118 CO 0.00 0.03 0.79 -0.67 -1.51 0.00 0.00 177.10 175.74 3dho n ASP 119 N 0.27 -6.06 -4.74 -1.22 4.64 -0.15 -0.99 116.55 108.30 3dho n ASP 119 Ca -0.03 -0.39 -0.36 0.00 -1.38 0.00 0.00 54.79 52.63 3dho n ASP 119 Cb 0.52 -4.86 -0.07 0.00 -1.04 0.00 0.00 41.12 35.67 3dho n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3dho s VAL 120 N -3.22 5.34 -0.27 5.18 1.01 -1.26 -3.34 120.40 123.83 3dho s VAL 120 Ca 0.41 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 3dho s VAL 120 Cb -0.18 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3dho s VAL 120 CO 0.51 0.43 0.11 0.86 0.00 0.00 0.00 175.10 177.00 3dho s TRP 121 N 0.27 3.13 -0.27 5.22 -0.00 -0.78 -1.13 118.94 125.38 3dho s TRP 121 Ca 0.14 -0.45 -0.06 0.00 -0.00 0.00 0.00 56.10 55.73 3dho s TRP 121 Cb -0.12 -2.29 -0.01 0.00 -0.00 0.00 0.00 33.47 31.05 3dho s TRP 121 CO 0.03 -0.38 0.05 0.42 -0.00 0.00 0.00 176.95 177.06 3dho s ILE 122 N 1.62 3.96 1.06 5.86 -1.09 0.23 -1.03 121.20 131.81 3dho s ILE 122 Ca 0.06 -0.49 -0.13 0.00 -2.23 0.00 0.00 60.65 57.86 3dho s ILE 122 Cb -0.16 -2.94 0.22 0.00 -1.58 0.00 0.00 42.46 38.01 3dho s ILE 122 CO 0.05 0.23 1.07 -0.83 -1.23 0.00 0.00 174.94 174.23 3dho s GLY 123 N 1.53 1.55 0.18 6.18 0.00 0.40 -0.51 107.32 116.65 3dho s GLY 123 Ca 0.04 -0.32 -0.33 0.00 0.00 0.00 0.00 44.72 44.12 3dho s GLY 123 CO 0.02 0.34 1.18 1.17 0.00 0.00 0.00 173.10 175.80 3dho n LYS 124 N -4.43 1.21 -1.29 2.90 4.81 -1.26 -2.91 118.16 117.18 3dho n LYS 124 Ca 0.04 0.43 -0.10 0.00 -0.87 0.00 0.00 58.31 57.82 3dho n LYS 124 Cb 0.56 -1.94 -0.04 0.00 0.02 0.00 0.00 35.03 33.63 3dho n LYS 124 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3dho n ASP 125 N 2.02 -5.43 -4.77 3.14 10.43 0.18 -0.45 116.55 121.66 3dho n ASP 125 Ca 0.15 0.24 -0.40 0.00 2.57 0.00 0.00 54.79 57.35 3dho n ASP 125 Cb 0.25 -3.80 -0.00 0.00 1.84 0.00 0.00 41.12 39.41 3dho n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3dho s VAL 126 N -1.95 2.25 -0.19 2.53 1.01 -1.15 -4.34 120.40 118.56 3dho s VAL 126 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3dho s VAL 126 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3dho s VAL 126 CO 0.00 0.05 -0.01 -0.69 0.00 0.00 0.00 175.10 174.45 3dho s VAL 127 N -1.16 3.87 -0.38 2.92 1.01 -0.10 -1.40 120.40 125.17 3dho s VAL 127 Ca 0.54 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 3dho s VAL 127 Cb -0.43 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3dho s VAL 127 CO 0.58 0.44 0.23 -0.63 0.00 0.00 0.00 175.10 175.72 3dho s ILE 128 N 0.92 4.78 0.77 2.22 -1.09 -0.17 -0.80 121.20 127.84 3dho s ILE 128 Ca 0.01 -0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 3dho s ILE 128 Cb -0.14 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 37.15 3dho s ILE 128 CO 0.02 -0.22 1.12 -0.04 -1.23 0.00 0.00 174.94 174.59 3dho s MET 129 N 1.60 2.29 0.49 2.79 -1.94 -0.51 -0.28 119.30 123.73 3dho s MET 129 Ca 0.03 0.39 -0.24 0.00 -1.71 0.00 0.00 55.69 54.16 3dho s MET 129 Cb -0.19 -1.96 -0.07 0.00 2.01 0.00 0.00 34.83 34.62 3dho s MET 129 CO 0.08 -1.42 1.40 -2.14 -0.01 0.00 0.00 175.02 172.92 3dho s PRO 130 N -5.37 3.49 0.00 2.03 0.02 -1.00 -3.57 135.00 130.60 3dho s PRO 130 Ca 0.60 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3dho s PRO 130 Cb -0.12 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.89 3dho s PRO 130 CO 0.52 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3dho n GLY 131 N 0.63 0.70 3.77 0.52 0.00 -1.24 -4.83 105.19 104.74 3dho n GLY 131 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3dho n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dho s VAL 132 N -2.42 4.50 -0.13 1.61 1.01 -1.23 -4.66 120.40 119.08 3dho s VAL 132 Ca 0.00 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 3dho s VAL 132 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3dho s VAL 132 CO 0.00 0.48 -0.10 -0.54 0.00 0.00 0.00 175.10 174.94 3dho s LYS 133 N -0.80 3.45 -0.16 2.72 -0.14 -1.26 -1.33 119.74 122.21 3dho s LYS 133 Ca 0.36 -0.63 0.01 0.00 -1.36 0.00 0.00 55.97 54.35 3dho s LYS 133 Cb -0.22 -2.72 0.02 0.00 -1.68 0.00 0.00 37.83 33.23 3dho s LYS 133 CO 0.25 0.24 -0.17 0.42 -0.76 0.00 0.00 175.35 175.33 3dho s ILE 134 N 0.30 1.81 0.78 2.17 1.01 0.67 -1.16 121.20 126.78 3dho s ILE 134 Ca -0.08 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 3dho s ILE 134 Cb -0.15 -1.66 0.06 0.00 0.01 0.00 0.00 42.46 40.72 3dho s ILE 134 CO 0.05 0.50 1.11 -0.83 0.00 0.00 0.00 174.94 175.77 3dho s GLY 135 N 1.35 1.79 0.21 6.18 0.00 -0.04 -0.14 107.32 116.68 3dho s GLY 135 Ca 0.04 0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.86 3dho s GLY 135 CO -0.11 0.77 1.05 1.22 0.00 0.00 0.00 173.10 176.03 3dho n ASP 136 N -3.42 1.06 0.00 1.64 10.43 -1.26 -2.70 116.55 122.30 3dho n ASP 136 Ca 0.10 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.61 3dho n ASP 136 Cb 0.52 -1.21 0.00 0.00 1.84 0.00 0.00 41.12 42.27 3dho n ASP 136 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dho n GLY 137 N 1.73 0.74 3.76 0.44 0.00 -0.16 -0.12 105.19 111.58 3dho n GLY 137 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3dho n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dho s ALA 138 N -3.04 2.20 -0.09 4.61 0.00 -1.10 -3.90 121.76 120.44 3dho s ALA 138 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3dho s ALA 138 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3dho s ALA 138 CO 0.00 -1.78 -0.11 0.42 0.00 0.00 0.00 175.76 174.29 3dho s ILE 139 N -2.71 1.18 -0.22 0.00 1.01 0.14 -1.86 121.20 118.74 3dho s ILE 139 Ca 0.64 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 3dho s ILE 139 Cb -0.19 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 3dho s ILE 139 CO 0.52 0.38 -0.04 -0.69 0.00 0.00 0.00 174.94 175.11 3dho s VAL 140 N 1.10 3.36 0.52 2.92 1.01 -0.20 -0.76 120.40 128.34 3dho s VAL 140 Ca -0.06 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 3dho s VAL 140 Cb -0.14 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 3dho s VAL 140 CO -0.02 0.40 1.38 0.00 0.00 0.00 0.00 175.10 176.87 3dho s ALA 141 N 1.47 2.94 0.39 5.51 0.00 0.20 -0.45 121.76 131.82 3dho s ALA 141 Ca 0.05 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 3dho s ALA 141 Cb -0.14 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.27 3dho s ALA 141 CO -0.03 -1.34 0.76 0.00 0.00 0.00 0.00 175.76 175.15 3dho n ALA 142 N -0.79 -0.86 -0.99 0.00 0.00 -1.26 -2.23 120.51 114.38 3dho n ALA 142 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3dho n ALA 142 Cb 0.44 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3dho n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dho n ASN 143 N 1.05 -4.34 -4.76 0.00 3.02 0.40 -4.83 115.26 105.81 3dho n ASN 143 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 3dho n ASN 143 Cb 0.37 -1.99 0.04 0.00 -0.61 0.00 0.00 39.78 37.59 3dho n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3dho s SER 144 N -2.02 5.07 -0.28 6.41 0.01 -0.95 -4.72 113.70 117.23 3dho s SER 144 Ca 0.00 2.24 0.02 0.00 1.31 0.00 0.00 55.95 59.52 3dho s SER 144 Cb 0.00 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.72 3dho s SER 144 CO 0.00 -1.67 -0.04 -0.69 0.41 0.00 0.00 173.24 171.25 3dho s VAL 145 N -1.90 1.92 -0.37 3.43 1.01 -0.18 -0.92 120.40 123.39 3dho s VAL 145 Ca 0.73 -1.67 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 3dho s VAL 145 Cb -0.26 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3dho s VAL 145 CO 0.36 -0.23 0.50 -0.69 0.00 0.00 0.00 175.10 175.04 3dho s VAL 146 N 1.17 5.02 -0.04 2.92 1.01 0.02 -0.55 120.40 129.96 3dho s VAL 146 Ca -0.02 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.25 3dho s VAL 146 Cb -0.19 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 3dho s VAL 146 CO -0.07 -0.27 0.19 1.33 0.00 0.00 0.00 175.10 176.27 3dho n VAL 147 N 5.46 0.18 -4.44 2.92 0.24 -1.26 -1.42 118.33 120.00 3dho n VAL 147 Ca -0.05 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.34 61.73 3dho n VAL 147 Cb 0.49 -0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.75 3dho n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3dho s LYS 148 N -2.64 1.68 0.61 7.34 -2.85 -1.26 -4.82 119.74 117.80 3dho s LYS 148 Ca -0.04 -1.96 -0.18 0.00 -1.00 0.00 0.00 55.97 52.79 3dho s LYS 148 Cb 0.06 -0.69 -0.02 0.00 -2.06 0.00 0.00 37.83 35.12 3dho s LYS 148 CO 0.45 -0.28 1.17 -0.51 0.10 0.00 0.00 175.35 176.28 3dho s ASP 149 N -3.49 5.16 -0.11 0.03 1.01 -1.26 -4.74 116.67 113.27 3dho s ASP 149 Ca 0.33 2.26 0.03 0.00 0.71 0.00 0.00 52.55 55.88 3dho s ASP 149 Cb 0.07 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.42 3dho s ASP 149 CO 0.15 -1.60 -0.21 -0.63 0.21 0.00 0.00 175.17 173.08 3dho s ILE 150 N -1.83 1.91 0.81 0.77 1.01 -0.31 -4.96 121.20 118.60 3dho s ILE 150 Ca 0.74 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3dho s ILE 150 Cb -0.27 -1.68 0.08 0.00 0.01 0.00 0.00 42.46 40.60 3dho s ILE 150 CO 0.35 0.52 1.09 0.00 0.00 0.00 0.00 174.94 176.90 3dho s ALA 151 N 0.61 2.13 0.47 9.38 0.00 -1.26 -0.86 121.76 132.23 3dho s ALA 151 Ca -0.13 -0.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.48 3dho s ALA 151 Cb -0.17 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3dho s ALA 151 CO 0.03 -1.83 1.40 -2.30 0.00 0.00 0.00 175.76 173.07 3dho n PRO 152 N -3.51 2.09 -2.57 0.00 -0.02 -1.26 -3.12 135.00 126.60 3dho n PRO 152 Ca 0.07 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 62.12 3dho n PRO 152 Cb 0.55 -2.60 -0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3dho n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dho n TYR 153 N -0.43 -1.36 -3.74 6.00 4.02 0.83 -4.86 117.16 117.63 3dho n TYR 153 Ca 0.07 0.10 -0.36 0.00 -0.01 0.00 0.00 57.90 57.71 3dho n TYR 153 Cb 0.42 -3.47 -0.06 0.00 -0.02 0.00 0.00 39.34 36.22 3dho n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 3dho s MET 154 N -5.20 3.61 -0.03 -0.72 -1.94 -1.18 -0.82 119.30 113.01 3dho s MET 154 Ca 0.07 -0.01 -0.23 0.00 -1.71 0.00 0.00 55.69 53.82 3dho s MET 154 Cb -0.03 -3.12 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 3dho s MET 154 CO 0.09 0.68 0.67 -0.51 -0.01 0.00 0.00 175.02 175.93 3dho s LEU 155 N -1.53 4.37 0.07 -0.03 1.43 0.21 -0.68 118.68 122.51 3dho s LEU 155 Ca 0.25 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 3dho s LEU 155 Cb -0.13 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 3dho s LEU 155 CO 0.13 -0.02 -0.06 0.00 0.23 0.00 0.00 176.35 176.63 3dho s ALA 156 N 0.34 0.72 -0.07 4.21 0.00 0.06 -0.10 121.76 126.91 3dho s ALA 156 Ca 0.35 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 3dho s ALA 156 Cb -0.18 0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.20 3dho s ALA 156 CO 0.18 -0.18 1.11 0.20 0.00 0.00 0.00 175.76 177.07 3dho s GLY 157 N -2.46 -0.35 0.00 0.00 0.00 -0.62 -0.63 107.32 103.26 3dho s GLY 157 Ca 0.02 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3dho s GLY 157 CO -0.04 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.01 3dho n GLY 158 N -0.26 0.77 2.58 0.20 0.00 -1.26 -0.86 105.19 106.37 3dho n GLY 158 Ca -0.04 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 3dho n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dho s ASN 159 N 0.00 3.39 0.43 1.61 2.47 -1.26 -1.01 114.94 120.57 3dho s ASN 159 Ca 0.00 -1.21 -0.24 0.00 0.42 0.00 0.00 52.86 51.83 3dho s ASN 159 Cb 0.00 -0.40 -0.08 0.00 -1.45 0.00 0.00 41.25 39.32 3dho s ASN 159 CO 0.00 -0.42 1.17 -2.16 -3.72 0.00 0.00 177.10 171.97 3dho s PRO 160 N 2.04 3.89 0.37 0.43 0.04 -1.26 -4.99 135.00 135.52 3dho s PRO 160 Ca 0.08 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 3dho s PRO 160 Cb -0.16 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 3dho s PRO 160 CO -0.30 -0.45 1.31 0.00 0.04 0.00 0.00 177.00 177.59 3dho s ALA 161 N -1.48 3.37 0.07 8.56 0.00 0.29 -4.92 121.76 127.65 3dho s ALA 161 Ca 0.61 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.87 3dho s ALA 161 Cb -0.30 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3dho s ALA 161 CO 0.37 -0.76 -0.13 -0.80 0.00 0.00 0.00 175.76 174.44 3dho s ASN 162 N -0.62 1.57 0.18 0.00 -0.87 -0.04 -4.78 114.94 110.40 3dho s ASN 162 Ca 0.53 -0.64 -0.31 0.00 -1.57 0.00 0.00 52.86 50.87 3dho s ASN 162 Cb -0.39 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.25 40.71 3dho s ASN 162 CO 0.51 -0.11 1.50 -1.61 -2.57 0.00 0.00 177.10 174.82 3dho s GLU 163 N -1.88 4.25 -0.24 -0.60 2.02 -1.26 -1.60 118.70 119.39 3dho s GLU 163 Ca -0.02 2.30 -0.16 0.00 0.02 0.00 0.00 54.97 57.12 3dho s GLU 163 Cb -0.09 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.88 3dho s GLU 163 CO 0.02 -0.53 -0.30 -0.89 0.02 0.00 0.00 175.26 173.58 3dho n ILE 164 N 3.51 1.52 -3.49 -1.63 5.41 0.85 -4.95 119.36 120.58 3dho n ILE 164 Ca 0.11 -0.16 -0.12 0.00 1.00 0.00 0.00 62.75 63.58 3dho n ILE 164 Cb 0.40 -2.07 -0.03 0.00 -0.71 0.00 0.00 39.64 37.23 3dho n ILE 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3dho s LYS 165 N -2.61 0.98 0.28 0.38 -2.85 -1.16 -5.02 119.74 109.74 3dho s LYS 165 Ca -0.34 -0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.17 3dho s LYS 165 Cb 0.10 0.46 -0.10 0.00 -2.06 0.00 0.00 37.83 36.23 3dho s LYS 165 CO 0.47 -0.39 1.22 -0.65 0.10 0.00 0.00 175.35 176.10 3dho s GLN 166 N -2.62 4.48 0.18 1.78 -0.21 -1.26 -0.62 119.66 121.39 3dho s GLN 166 Ca -0.01 2.02 -0.03 0.00 0.02 0.00 0.00 55.36 57.36 3dho s GLN 166 Cb -0.01 -3.14 0.09 0.00 1.00 0.00 0.00 33.01 30.95 3dho s GLN 166 CO -0.05 -0.04 1.48 0.00 -2.12 0.00 0.00 175.29 174.56 3dho h ARG 167 N 3.95 0.53 -4.91 2.91 3.08 -1.32 -3.46 114.38 115.15 3dho h ARG 167 Ca -0.47 -0.36 -0.33 0.00 0.07 0.00 0.00 59.98 58.89 3dho h ARG 167 Cb 1.22 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 31.17 3dho h ARG 167 CO 0.68 0.97 -0.65 -0.06 -1.07 0.00 0.00 179.97 179.84 3dho s PHE 168 N -3.90 1.38 0.79 3.04 0.08 -1.26 -5.11 117.98 113.00 3dho s PHE 168 Ca -0.07 -1.02 -0.14 0.00 0.12 0.00 0.00 56.93 55.82 3dho s PHE 168 Cb 0.11 -0.80 0.07 0.00 -0.57 0.00 0.00 43.02 41.83 3dho s PHE 168 CO 0.84 -0.18 1.15 -0.40 -0.10 0.00 0.00 175.22 176.53 3dho n ASP 169 N -0.34 0.89 0.02 1.36 5.68 -1.26 -4.78 116.55 118.12 3dho n ASP 169 Ca -0.05 0.60 0.02 0.00 -0.50 0.00 0.00 54.79 54.86 3dho n ASP 169 Cb 0.64 -1.49 0.37 0.00 -1.14 0.00 0.00 41.12 39.50 3dho n ASP 169 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3dho h GLN 170 N -0.77 0.49 -0.05 0.11 5.75 -1.99 -2.11 115.11 116.54 3dho h GLN 170 Ca -0.47 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 57.97 3dho h GLN 170 Cb 1.31 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 3dho h GLN 170 CO 0.46 0.44 0.03 0.22 -2.65 0.00 0.00 178.83 177.33 3dho h ASP 171 N 0.48 0.05 -0.56 -0.69 3.58 -1.99 -0.08 116.42 117.21 3dho h ASP 171 Ca 0.12 -0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.59 3dho h ASP 171 Cb 0.16 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.14 3dho h ASP 171 CO -0.01 0.08 0.26 0.74 -2.88 0.00 0.00 179.24 177.43 3dho h THR 172 N 0.03 0.89 -0.18 2.25 2.02 -1.80 -0.43 112.91 115.68 3dho h THR 172 Ca 0.02 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3dho h THR 172 Cb 0.03 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3dho h THR 172 CO -0.00 0.09 0.10 0.40 0.37 0.00 0.00 175.52 176.48 3dho h ILE 173 N 0.49 1.10 -0.77 3.11 2.04 -1.18 -1.10 117.51 121.20 3dho h ILE 173 Ca 0.26 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3dho h ILE 173 Cb 0.23 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3dho h ILE 173 CO -0.22 0.09 0.47 0.78 0.00 0.00 0.00 178.15 179.27 3dho h ASN 174 N 0.20 0.74 -0.29 1.72 2.35 -0.59 0.30 115.58 120.01 3dho h ASN 174 Ca 0.06 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3dho h ASN 174 Cb 0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3dho h ASN 174 CO -0.01 0.49 -0.22 1.56 -1.65 0.00 0.00 177.43 177.59 3dho h GLN 175 N 0.88 0.66 -0.54 0.81 4.20 -0.82 -2.16 115.11 118.14 3dho h GLN 175 Ca 0.33 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.76 3dho h GLN 175 Cb 0.13 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3dho h GLN 175 CO -0.16 0.92 0.30 -0.07 -0.67 0.00 0.00 178.83 179.15 3dho h LEU 176 N 0.39 0.45 -1.87 1.46 3.38 -0.84 -1.20 115.31 117.10 3dho h LEU 176 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dho h LEU 176 Cb 0.77 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3dho h LEU 176 CO 0.06 0.31 -0.13 -0.07 0.09 0.00 0.00 178.44 178.70 3dho h LEU 177 N 0.58 0.00 0.15 1.67 3.38 -0.80 -2.44 115.31 117.85 3dho h LEU 177 Ca 0.23 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 3dho h LEU 177 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dho h LEU 177 CO -0.13 0.13 -1.19 -0.78 0.09 0.00 0.00 178.44 176.56 3dho h ASP 178 N 0.00 0.50 0.82 -0.43 3.58 -0.77 -3.38 116.42 116.75 3dho h ASP 178 Ca -0.00 -0.91 -0.17 0.00 0.42 0.00 0.00 57.03 56.37 3dho h ASP 178 Cb 0.35 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3dho h ASP 178 CO 0.02 1.55 -0.82 0.16 -2.88 0.00 0.00 179.24 177.27 3dho h ILE 179 N -0.25 1.58 -6.48 2.25 3.07 -1.13 -3.48 117.51 113.07 3dho h ILE 179 Ca -0.23 -2.81 -0.44 0.00 1.55 0.00 0.00 64.86 62.93 3dho h ILE 179 Cb 1.79 2.52 0.02 0.00 -0.27 0.00 0.00 36.82 40.87 3dho h ILE 179 CO 0.14 0.80 -0.90 0.29 -1.05 0.00 0.00 178.15 177.43 3dho n LYS 180 N -3.56 -1.11 0.11 0.16 5.02 -0.93 -4.84 118.16 113.01 3dho n LYS 180 Ca -0.01 0.60 0.15 0.00 -2.02 0.00 0.00 58.31 57.03 3dho n LYS 180 Cb 0.79 -3.27 0.67 0.00 -0.02 0.00 0.00 35.03 33.19 3dho n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 3dho h TRP 181 N -1.20 0.01 0.00 2.13 5.08 -1.93 -0.88 115.95 119.15 3dho h TRP 181 Ca -0.58 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.38 3dho h TRP 181 Cb 1.34 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.50 3dho h TRP 181 CO 0.29 0.00 -0.02 0.11 -1.28 0.00 0.00 178.44 177.55 3dho h TRP 182 N 0.01 0.00 -0.02 0.12 0.09 -1.97 -1.05 115.95 113.13 3dho h TRP 182 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.13 3dho h TRP 182 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.82 3dho h TRP 182 CO -0.00 0.02 -0.05 0.09 0.09 0.00 0.00 178.44 178.58 3dho n ASN 183 N -3.49 2.02 -4.76 0.11 3.02 -0.34 -4.97 115.26 106.86 3dho n ASN 183 Ca -0.03 -1.62 -0.35 0.00 -0.03 0.00 0.00 54.58 52.55 3dho n ASN 183 Cb 0.11 0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3dho n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3dho s TRP 184 N -2.08 2.46 0.28 3.10 0.51 -0.40 -4.95 118.94 117.86 3dho s TRP 184 Ca 0.32 1.54 -0.29 0.00 -2.12 0.00 0.00 56.10 55.55 3dho s TRP 184 Cb 0.20 -3.39 -0.14 0.00 -0.81 0.00 0.00 33.47 29.34 3dho s TRP 184 CO 0.35 -2.01 1.12 -2.30 -0.51 0.00 0.00 176.95 173.61 3dho n PRO 185 N -1.71 1.56 -0.31 4.98 -0.02 -1.26 -4.68 135.00 133.56 3dho n PRO 185 Ca 0.13 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.32 3dho n PRO 185 Cb 0.50 -2.00 0.42 0.00 -0.02 0.00 0.00 33.50 32.40 3dho n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3dho h ILE 186 N 2.29 0.67 -0.42 4.25 6.09 -1.97 0.16 117.51 128.58 3dho h ILE 186 Ca -0.42 -0.20 -0.09 0.00 -1.37 0.00 0.00 64.86 62.79 3dho h ILE 186 Cb 1.32 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 3dho h ILE 186 CO 0.64 0.11 -0.10 0.44 -3.07 0.00 0.00 178.15 176.17 3dho h ASP 187 N 0.58 0.72 -0.19 2.19 3.32 -1.96 -0.30 116.42 120.78 3dho h ASP 187 Ca 0.54 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 3dho h ASP 187 Cb 1.10 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 3dho h ASP 187 CO -0.29 0.85 -0.10 0.40 -1.72 0.00 0.00 179.24 178.38 3dho h ILE 188 N 0.67 1.31 -0.20 0.35 2.04 -1.37 -2.37 117.51 117.94 3dho h ILE 188 Ca 0.12 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.87 3dho h ILE 188 Cb 0.55 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 3dho h ILE 188 CO 0.03 0.35 -0.28 0.40 0.00 0.00 0.00 178.15 178.65 3dho h ILE 189 N 0.09 0.33 -1.00 -0.67 2.04 -1.04 -2.77 117.51 114.49 3dho h ILE 189 Ca 0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 3dho h ILE 189 Cb 0.58 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 3dho h ILE 189 CO 0.03 0.00 0.63 0.78 0.00 0.00 0.00 178.15 179.59 3dho h ASN 190 N -0.32 0.89 0.60 1.72 2.35 -0.99 0.37 115.58 120.19 3dho h ASN 190 Ca 0.12 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3dho h ASN 190 Cb 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3dho h ASN 190 CO -0.38 0.43 0.00 -0.33 -1.65 0.00 0.00 177.43 175.50 3dho h GLU 191 N 0.93 0.00 0.00 0.81 5.08 -1.15 -3.29 114.58 116.96 3dho h GLU 191 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3dho h GLU 191 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3dho h GLU 191 CO -0.30 0.00 -0.03 0.09 -1.00 0.00 0.00 179.01 177.77 3dho n ASN 192 N -3.02 1.47 -0.30 1.42 3.02 0.03 -4.81 115.26 113.07 3dho n ASN 192 Ca -0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3dho n ASN 192 Cb 0.21 -0.08 0.13 0.00 -0.61 0.00 0.00 39.78 39.42 3dho n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dho h ILE 193 N 1.14 1.04 -0.99 2.41 2.04 -1.39 -0.59 117.51 121.17 3dho h ILE 193 Ca 0.00 -0.32 0.15 0.00 1.00 0.00 0.00 64.86 65.69 3dho h ILE 193 Cb 0.75 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 3dho h ILE 193 CO 0.00 0.17 0.60 -2.24 0.00 0.00 0.00 178.15 176.68 3dho h ASP 194 N 0.94 0.82 0.71 1.72 2.03 -1.88 0.03 116.42 120.80 3dho h ASP 194 Ca 0.36 0.08 -0.22 0.00 -0.73 0.00 0.00 57.03 56.52 3dho h ASP 194 Cb 0.15 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 3dho h ASP 194 CO -0.17 0.36 -0.99 0.11 -1.03 0.00 0.00 179.24 177.53 3dho h LYS 195 N 0.85 0.15 -0.57 4.15 1.57 -1.58 -2.46 116.57 118.69 3dho h LYS 195 Ca 0.53 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3dho h LYS 195 Cb 0.69 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3dho h LYS 195 CO -0.33 1.02 0.13 0.82 -0.57 0.00 0.00 179.45 180.52 3dho h ILE 196 N 0.07 1.25 0.00 1.86 2.04 -0.75 -1.39 117.51 120.58 3dho h ILE 196 Ca -0.05 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 3dho h ILE 196 Cb 1.67 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3dho h ILE 196 CO 0.15 0.33 -0.45 -0.07 0.00 0.00 0.00 178.15 178.11 3dho h LEU 197 N 0.82 0.00 -2.60 1.44 3.38 -0.95 -3.22 115.31 114.17 3dho h LEU 197 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dho h LEU 197 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dho h LEU 197 CO 0.00 0.45 0.00 -0.90 0.09 0.00 0.00 178.44 178.08 3dho n ASP 198 N -3.97 2.96 0.00 -0.43 5.68 -0.93 -4.99 116.55 114.87 3dho n ASP 198 Ca -0.02 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3dho n ASP 198 Cb 0.48 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3dho n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3dho n ASN 199 N 0.77 0.00 0.00 -1.12 5.03 -0.60 -4.89 115.26 114.45 3dho n ASN 199 Ca 0.13 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.67 3dho n ASN 199 Cb 0.45 -0.54 0.37 0.00 -1.02 0.00 0.00 39.78 39.04 3dho n ASN 199 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dho n SER 200 N 0.00 0.00 0.23 6.41 3.41 -0.73 -2.55 113.62 120.39 3dho n SER 200 Ca 0.00 0.47 0.18 0.00 -0.26 0.00 0.00 58.87 59.26 3dho n SER 200 Cb 0.00 -0.49 0.80 0.00 -0.26 0.00 0.00 64.21 64.26 3dho n SER 200 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3dho h ILE 201 N 0.00 0.18 -0.47 -1.33 3.07 -1.75 -0.24 117.51 116.98 3dho h ILE 201 Ca 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.34 3dho h ILE 201 Cb 0.29 0.68 -0.02 0.00 -0.27 0.00 0.00 36.82 37.49 3dho h ILE 201 CO 0.00 0.00 0.01 0.40 -1.05 0.00 0.00 178.15 177.51 3dho h ILE 202 N 0.00 1.24 -0.02 0.16 5.03 -1.79 -3.51 117.51 118.62 3dho h ILE 202 Ca 0.08 -0.96 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 3dho h ILE 202 Cb 0.81 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 35.47 3dho h ILE 202 CO -0.00 0.34 0.00 -2.11 -0.68 0.00 0.00 178.15 175.70