#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 -3.08 3.81 3.17 0.00 -1.26 -5.00 105.19 102.84 3dho n GLY 2 Ca 0.00 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.64 1.46 -0.39 1.61 0.04 -1.26 -5.02 135.00 130.81 3dho s PRO 3 Ca 0.00 0.30 -0.20 0.00 0.04 0.00 0.00 61.00 61.14 3dho s PRO 3 Cb 0.00 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.68 3dho s PRO 3 CO 0.00 -1.98 0.61 1.21 0.04 0.00 0.00 177.00 176.88 3dho s ASN 4 N -4.13 6.35 0.08 6.66 3.84 -1.26 -4.95 114.94 121.53 3dho s ASN 4 Ca 0.63 -0.15 0.15 0.00 0.21 0.00 0.00 52.86 53.70 3dho s ASN 4 Cb -0.14 -2.31 0.63 0.00 -0.55 0.00 0.00 41.25 38.89 3dho s ASN 4 CO 0.53 -0.66 1.45 -0.81 -2.79 0.00 0.00 177.10 174.82 3dho n PRO 5 N 6.06 0.06 0.00 0.43 -0.04 -1.26 -1.98 135.00 138.27 3dho n PRO 5 Ca -0.02 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3dho n PRO 5 Cb 0.48 -1.62 0.27 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.73 1.18 -2.88 0.54 2.81 -1.26 -4.40 117.12 111.38 3dho n MET 6 Ca 0.02 -0.81 -0.41 0.00 -1.81 0.00 0.00 57.70 54.69 3dho n MET 6 Cb 0.14 -1.48 -0.04 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 -2.38 4.35 0.23 0.03 1.02 -0.84 -4.80 119.74 117.36 3dho s LYS 7 Ca 0.25 1.07 -0.06 0.00 0.02 0.00 0.00 55.97 57.25 3dho s LYS 7 Cb 0.19 -3.54 0.41 0.00 -0.52 0.00 0.00 37.83 34.37 3dho s LYS 7 CO 0.49 -0.25 1.73 1.98 -0.92 0.00 0.00 175.35 178.38 3dho h MET 8 N 7.18 0.40 -3.50 1.68 1.85 -1.88 -3.32 114.93 117.34 3dho h MET 8 Ca -0.32 -0.02 -0.64 0.00 -0.61 0.00 0.00 59.70 58.11 3dho h MET 8 Cb 1.15 -0.09 -0.41 0.00 0.43 0.00 0.00 31.60 32.68 3dho h MET 8 CO 0.82 0.26 -0.66 0.71 -0.40 0.00 0.00 176.91 177.65 3dho s TYR 9 N -6.04 3.09 -0.02 1.39 1.51 -1.26 -1.83 117.35 114.18 3dho s TYR 9 Ca -0.13 -3.05 0.32 0.00 -1.01 0.00 0.00 57.07 53.20 3dho s TYR 9 Cb 0.20 -2.71 1.21 0.00 -0.11 0.00 0.00 41.96 40.55 3dho s TYR 9 CO 0.76 -0.77 1.92 -1.00 -1.11 0.00 0.00 175.55 175.34 3dho h PRO 10 N 6.69 0.00 -4.73 -1.71 0.13 -1.75 -3.41 132.00 127.21 3dho h PRO 10 Ca -0.07 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 3dho h PRO 10 Cb 0.91 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.86 3dho h PRO 10 CO 0.64 0.00 -0.48 0.42 -0.23 0.00 0.00 178.00 178.35 3dho s ILE 11 N -3.58 5.29 0.28 -3.56 1.01 -1.26 -4.77 121.20 114.60 3dho s ILE 11 Ca 0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 3dho s ILE 11 Cb 0.09 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.73 3dho s ILE 11 CO 0.55 0.01 1.49 1.21 0.00 0.00 0.00 174.94 178.20 3dho n GLU 12 N 5.10 2.38 -0.99 2.79 4.07 -1.26 -1.68 120.64 131.05 3dho n GLU 12 Ca -0.13 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 57.82 3dho n GLU 12 Cb 0.50 -2.56 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 3dho n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dho n GLY 13 N 1.97 0.88 3.03 8.31 0.00 -1.26 -5.00 105.19 113.12 3dho n GLY 13 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.76 2.83 -0.08 1.61 3.84 -0.68 -4.98 114.94 114.71 3dho s ASN 14 Ca 0.00 -0.55 0.12 0.00 0.21 0.00 0.00 52.86 52.64 3dho s ASN 14 Cb 0.00 -1.23 0.33 0.00 -0.55 0.00 0.00 41.25 39.79 3dho s ASN 14 CO 0.00 -0.06 1.25 0.29 -2.79 0.00 0.00 177.10 175.80 3dho n LYS 15 N 4.74 2.64 -0.12 0.43 4.01 -1.26 -4.60 118.16 124.00 3dho n LYS 15 Ca -0.17 -2.32 -0.22 0.00 -0.51 0.00 0.00 58.31 55.09 3dho n LYS 15 Cb 0.50 -1.46 -0.07 0.00 -0.51 0.00 0.00 35.03 33.48 3dho n LYS 15 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3dho n SER 16 N -0.35 1.87 -4.68 4.39 7.64 -1.26 -4.79 113.62 116.45 3dho n SER 16 Ca 0.14 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 3dho n SER 16 Cb 0.59 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 3dho n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dho s VAL 17 N -2.61 4.35 -0.01 0.44 1.01 -1.26 -2.02 120.40 120.30 3dho s VAL 17 Ca -0.34 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.34 3dho s VAL 17 Cb 0.11 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3dho s VAL 17 CO 0.45 -0.03 -0.13 -1.10 0.00 0.00 0.00 175.10 174.29 3dho s GLN 18 N 2.42 1.02 -0.08 2.72 -0.21 -0.40 -4.33 119.66 120.80 3dho s GLN 18 Ca 0.54 -0.47 -0.24 0.00 0.02 0.00 0.00 55.36 55.21 3dho s GLN 18 Cb -0.23 -0.98 -0.03 0.00 1.00 0.00 0.00 33.01 32.76 3dho s GLN 18 CO 0.20 0.27 0.73 -0.06 -2.12 0.00 0.00 175.29 174.31 3dho s PHE 19 N -0.34 3.56 0.04 0.91 2.99 -0.76 -0.49 117.98 123.89 3dho s PHE 19 Ca 0.05 1.27 -0.18 0.00 0.00 0.00 0.00 56.93 58.07 3dho s PHE 19 Cb -0.05 -2.85 -0.20 0.00 0.00 0.00 0.00 43.02 39.91 3dho s PHE 19 CO -0.00 0.03 1.18 0.82 -0.00 0.00 0.00 175.22 177.25 3dho h ILE 20 N 4.83 1.37 -0.26 0.64 2.04 -1.61 -3.31 117.51 121.21 3dho h ILE 20 Ca -0.39 -1.96 0.06 0.00 1.00 0.00 0.00 64.86 63.56 3dho h ILE 20 Cb 1.19 2.34 -0.08 0.00 -0.74 0.00 0.00 36.82 39.53 3dho h ILE 20 CO 0.76 0.59 -0.42 0.50 0.00 0.00 0.00 178.15 179.58 3dho h LYS 21 N 0.09 -0.39 -0.37 2.37 3.64 -1.79 -1.38 116.57 118.74 3dho h LYS 21 Ca -0.06 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3dho h LYS 21 Cb 1.28 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 3dho h LYS 21 CO 0.12 -0.26 0.12 -1.00 -2.27 0.00 0.00 179.45 176.16 3dho h PRO 22 N -0.41 0.53 -0.59 1.90 0.13 -1.77 -0.78 132.00 131.02 3dho h PRO 22 Ca 0.11 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3dho h PRO 22 Cb 0.60 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 3dho h PRO 22 CO -0.48 0.46 0.24 0.82 -0.23 0.00 0.00 178.00 178.81 3dho h ILE 23 N 0.52 1.23 -0.02 -3.56 2.04 -1.53 -3.24 117.51 112.95 3dho h ILE 23 Ca 0.13 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3dho h ILE 23 Cb 0.15 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3dho h ILE 23 CO -0.01 0.27 -0.18 0.18 0.00 0.00 0.00 178.15 178.42 3dho n LEU 24 N -4.48 1.87 0.03 1.44 4.77 -0.56 -4.31 117.00 115.75 3dho n LEU 24 Ca 0.03 -0.62 0.11 0.00 -0.03 0.00 0.00 56.01 55.50 3dho n LEU 24 Cb 0.16 -0.03 0.55 0.00 -2.33 0.00 0.00 43.42 41.77 3dho n LEU 24 CO 0.39 0.33 1.16 -0.08 -1.33 0.00 0.00 177.39 177.85 3dho h GLU 25 N 2.65 0.27 0.00 3.23 4.81 -1.18 0.50 114.58 124.87 3dho h GLU 25 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3dho h GLU 25 Cb 0.68 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3dho h GLU 25 CO 0.00 0.18 0.00 1.57 -0.73 0.00 0.00 179.01 180.03 3dho h LYS 26 N 0.28 0.00 -5.54 1.92 2.10 -1.81 -3.44 116.57 110.08 3dho h LYS 26 Ca 0.18 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.24 3dho h LYS 26 Cb 0.38 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.60 3dho h LYS 26 CO -0.04 0.00 -0.14 -0.51 -2.00 0.00 0.00 179.45 176.76 3dho s LEU 27 N -5.17 4.19 0.36 7.07 1.43 0.17 -5.06 118.68 121.66 3dho s LEU 27 Ca -0.02 0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 53.43 3dho s LEU 27 Cb 0.09 -2.61 -0.11 0.00 0.03 0.00 0.00 46.19 43.59 3dho s LEU 27 CO 0.32 -0.08 1.52 -0.70 0.23 0.00 0.00 176.35 177.64 3dho s GLU 28 N 1.20 4.10 -1.16 1.70 2.12 -1.26 -3.35 118.70 122.05 3dho s GLU 28 Ca 0.22 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.15 3dho s GLU 28 Cb -0.15 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.27 3dho s GLU 28 CO 0.09 -0.58 0.00 0.09 -0.54 0.00 0.00 175.26 174.32 3dho n ASN 29 N 0.84 -4.25 -4.14 -1.70 3.02 -1.26 -4.95 115.26 102.82 3dho n ASN 29 Ca 0.03 0.23 -0.28 0.00 -0.03 0.00 0.00 54.58 54.53 3dho n ASN 29 Cb 0.39 -2.85 -0.16 0.00 -0.61 0.00 0.00 39.78 36.54 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 -2.44 1.59 -0.06 2.41 1.01 -1.21 -1.24 120.40 120.46 3dho s VAL 30 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3dho s VAL 30 Cb 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3dho s VAL 30 CO 0.00 0.46 -0.12 -0.70 0.00 0.00 0.00 175.10 174.74 3dho s GLU 31 N 0.26 1.64 -0.02 2.72 2.12 -0.05 -4.92 118.70 120.44 3dho s GLU 31 Ca -0.11 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.85 3dho s GLU 31 Cb -0.15 -1.37 0.01 0.00 0.26 0.00 0.00 34.13 32.88 3dho s GLU 31 CO 0.05 0.01 -0.07 0.08 -0.54 0.00 0.00 175.26 174.79 3dho s VAL 32 N 0.70 0.65 0.57 3.70 1.01 -1.26 -0.77 120.40 125.00 3dho s VAL 32 Ca -0.14 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3dho s VAL 32 Cb -0.16 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 3dho s VAL 32 CO 0.03 0.21 1.01 -0.83 0.00 0.00 0.00 175.10 175.53 3dho s GLY 33 N 0.26 1.90 0.59 4.51 0.00 0.49 -4.75 107.32 110.32 3dho s GLY 33 Ca -0.04 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.59 3dho s GLY 33 CO 0.00 0.39 1.34 1.18 0.00 0.00 0.00 173.10 176.01 3dho n GLU 34 N -2.15 1.48 0.00 2.90 4.71 -1.26 -3.35 120.64 122.96 3dho n GLU 34 Ca 0.07 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.77 3dho n GLU 34 Cb 0.54 -2.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 3dho n GLU 34 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3dho n TYR 35 N -1.39 0.00 -1.72 -0.32 4.02 -1.26 -2.17 117.16 114.32 3dho n TYR 35 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.59 3dho n TYR 35 Cb 0.46 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 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 3.76 -4.28 7.72 7.64 -1.21 -4.55 113.62 122.69 3dho n SER 36 Ca 0.00 1.10 -0.16 0.00 1.01 0.00 0.00 58.87 60.82 3dho n SER 36 Cb 0.00 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.55 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 0.64 1.42 -0.10 1.43 -0.85 -0.33 -1.51 117.35 118.06 3dho s TYR 37 Ca 0.71 -0.69 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 3dho s TYR 37 Cb -0.53 -0.70 -0.01 0.00 0.38 0.00 0.00 41.96 41.10 3dho s TYR 37 CO 0.40 0.18 -0.21 -0.47 -1.52 0.00 0.00 175.55 173.93 3dho s TYR 38 N -3.18 2.61 -0.85 -3.49 5.04 0.36 -1.16 117.35 116.69 3dho s TYR 38 Ca 0.19 -0.82 -0.15 0.00 -2.44 0.00 0.00 57.07 53.84 3dho s TYR 38 Cb 0.01 -1.72 0.19 0.00 0.35 0.00 0.00 41.96 40.80 3dho s TYR 38 CO 0.03 -0.29 0.86 0.34 -1.34 0.00 0.00 175.55 175.15 3dho s ASP 39 N 0.18 6.72 0.42 4.32 2.15 -0.64 -1.27 116.67 128.55 3dho s ASP 39 Ca -0.12 -2.50 -0.26 0.00 0.43 0.00 0.00 52.55 50.10 3dho s ASP 39 Cb -0.16 -2.26 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 3dho s ASP 39 CO 0.07 -0.71 1.31 -0.24 -0.17 0.00 0.00 175.17 175.42 3dho n SER 40 N 4.67 2.73 -0.04 -0.34 2.88 -0.86 -2.30 113.62 120.36 3dho n SER 40 Ca 0.16 1.12 -0.17 0.00 -1.33 0.00 0.00 58.87 58.64 3dho n SER 40 Cb 0.47 -1.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.28 3dho n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3dho h LYS 41 N 2.16 0.09 0.00 -1.46 3.64 -1.90 -3.41 116.57 115.69 3dho h LYS 41 Ca -0.48 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 3dho h LYS 41 Cb 1.29 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 3dho h LYS 41 CO 0.60 1.07 -0.38 0.09 -2.27 0.00 0.00 179.45 178.57 3dho n ASN 42 N -4.41 0.93 0.00 4.20 5.03 -1.26 -4.97 115.26 114.78 3dho n ASN 42 Ca -0.16 -2.45 0.00 0.00 0.87 0.00 0.00 54.58 52.85 3dho n ASN 42 Cb 0.63 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 3dho n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dho n GLY 43 N -0.49 0.97 3.75 7.41 0.00 -1.26 -5.06 105.19 110.52 3dho n GLY 43 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.48 3.23 0.32 1.61 1.03 -1.26 -4.97 118.70 118.18 3dho s GLU 44 Ca 0.00 2.15 -0.11 0.00 0.03 0.00 0.00 54.97 57.04 3dho s GLU 44 Cb 0.00 -2.27 -0.07 0.00 -0.80 0.00 0.00 34.13 30.99 3dho s GLU 44 CO 0.00 -1.09 0.67 0.95 -1.33 0.00 0.00 175.26 174.46 3dho s THR 45 N -1.35 4.82 0.47 1.83 -4.23 -1.26 -4.75 115.64 111.16 3dho s THR 45 Ca 0.70 0.62 0.24 0.00 -1.18 0.00 0.00 61.69 62.07 3dho s THR 45 Cb -0.38 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.07 3dho s THR 45 CO 0.45 -0.26 2.09 0.15 -0.54 0.00 0.00 174.62 176.51 3dho h PHE 46 N 1.99 0.00 -0.71 3.99 3.57 -1.97 -1.75 116.94 122.06 3dho h PHE 46 Ca -0.47 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.20 3dho h PHE 46 Cb 1.18 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3dho h PHE 46 CO 0.61 0.11 0.49 0.38 -2.23 0.00 0.00 178.31 177.67 3dho h ASP 47 N 0.00 0.17 0.46 0.41 2.03 -1.94 0.46 116.42 118.01 3dho h ASP 47 Ca -0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3dho h ASP 47 Cb 0.25 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 3dho h ASP 47 CO 0.01 0.08 0.00 0.11 -1.03 0.00 0.00 179.24 178.42 3dho h LYS 48 N 0.18 0.00 -0.01 4.15 1.79 -1.71 -2.97 116.57 117.99 3dho h LYS 48 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3dho h LYS 48 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3dho h LYS 48 CO -0.06 0.00 -0.33 1.04 -1.08 0.00 0.00 179.45 179.02 3dho n GLN 49 N -2.32 1.14 -3.58 3.15 1.13 0.15 -4.79 117.38 112.26 3dho n GLN 49 Ca 0.01 -0.83 -0.40 0.00 -1.94 0.00 0.00 57.00 53.84 3dho n GLN 49 Cb 0.16 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 28.92 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 -2.43 4.83 -0.03 5.09 1.01 -1.12 -0.92 121.20 127.62 3dho s ILE 50 Ca 0.23 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3dho s ILE 50 Cb 0.19 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 3dho s ILE 50 CO 0.52 -0.10 -0.07 -0.76 0.00 0.00 0.00 174.94 174.54 3dho s LEU 51 N 1.63 3.17 -1.42 2.97 1.43 -0.00 -4.67 118.68 121.79 3dho s LEU 51 Ca 0.04 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3dho s LEU 51 Cb -0.18 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3dho s LEU 51 CO 0.08 0.32 1.05 -1.22 0.23 0.00 0.00 176.35 176.81 3dho n TYR 52 N 1.87 -2.64 -3.41 0.29 0.53 -1.26 -0.72 117.16 111.82 3dho n TYR 52 Ca -0.17 0.91 -0.44 0.00 -1.02 0.00 0.00 57.90 57.18 3dho n TYR 52 Cb 0.53 -4.76 -0.08 0.00 -1.03 0.00 0.00 39.34 34.00 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 -3.29 3.26 -0.15 -0.72 2.46 -1.26 -0.82 115.29 114.77 3dho s HIS 53 Ca 0.55 -1.05 0.01 0.00 0.47 0.00 0.00 55.06 55.03 3dho s HIS 53 Cb -0.25 -3.21 -0.00 0.00 -0.13 0.00 0.00 32.58 28.98 3dho s HIS 53 CO 0.68 -0.83 -0.16 0.71 -2.47 0.00 0.00 174.74 172.67 3dho s TYR 54 N 1.61 2.76 0.47 3.88 2.02 -1.26 -5.02 117.35 121.81 3dho s TYR 54 Ca 0.04 -1.04 0.20 0.00 -0.37 0.00 0.00 57.07 55.90 3dho s TYR 54 Cb -0.25 -1.87 1.20 0.00 -0.40 0.00 0.00 41.96 40.65 3dho s TYR 54 CO 0.06 -0.46 1.94 -1.35 -1.57 0.00 0.00 175.55 174.17 3dho h PRO 55 N 7.23 0.23 -0.42 -1.71 0.11 -1.93 -1.93 132.00 133.59 3dho h PRO 55 Ca -0.31 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.81 3dho h PRO 55 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3dho h PRO 55 CO 0.56 0.15 0.28 0.97 -0.21 0.00 0.00 178.00 179.75 3dho h ILE 56 N 0.24 1.03 0.00 4.15 6.09 -1.98 -1.30 117.51 125.74 3dho h ILE 56 Ca 0.33 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 3dho h ILE 56 Cb 0.97 0.54 0.00 0.00 0.47 0.00 0.00 36.82 38.80 3dho h ILE 56 CO -0.07 0.08 0.00 -0.07 -3.07 0.00 0.00 178.15 175.02 3dho h LEU 57 N 0.45 0.00 0.85 2.19 3.38 -1.78 -3.47 115.31 116.93 3dho h LEU 57 Ca 0.17 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.77 3dho h LEU 57 Cb 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 3dho h LEU 57 CO -0.04 0.00 -0.33 -3.20 0.09 0.00 0.00 178.44 174.96 3dho n ASN 58 N -2.80 -5.40 -4.78 -0.43 5.15 -0.49 -4.98 115.26 101.52 3dho n ASN 58 Ca 0.03 0.44 -0.36 0.00 -0.60 0.00 0.00 54.58 54.09 3dho n ASN 58 Cb 0.42 -4.47 -0.04 0.00 -0.53 0.00 0.00 39.78 35.16 3dho n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3dho s ASP 59 N -2.73 6.75 0.07 1.20 -4.77 -1.26 -5.03 116.67 110.89 3dho s ASP 59 Ca 0.00 2.03 0.06 0.00 -3.30 0.00 0.00 52.55 51.34 3dho s ASP 59 Cb 0.00 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 3dho s ASP 59 CO 0.00 -0.50 -0.11 -0.54 0.70 0.00 0.00 175.17 174.72 3dho s LYS 60 N -2.52 2.19 -0.15 2.11 -0.14 -1.26 -4.91 119.74 115.06 3dho s LYS 60 Ca 0.58 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 3dho s LYS 60 Cb -0.22 -2.31 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 3dho s LYS 60 CO 0.27 0.53 -0.14 -1.17 -0.76 0.00 0.00 175.35 174.08 3dho s LEU 61 N -1.85 2.56 -0.04 3.17 2.96 -0.37 -0.89 118.68 124.21 3dho s LEU 61 Ca 0.19 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3dho s LEU 61 Cb -0.11 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 3dho s LEU 61 CO 0.10 0.10 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.32 3dho s LYS 62 N 0.70 1.75 -0.05 1.98 2.20 -0.08 -0.87 119.74 125.38 3dho s LYS 62 Ca -0.07 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 3dho s LYS 62 Cb -0.15 -1.52 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 3dho s LYS 62 CO 0.02 0.23 -0.12 0.42 -0.36 0.00 0.00 175.35 175.53 3dho s ILE 63 N 0.08 1.09 0.00 5.43 1.01 0.05 -0.29 121.20 128.58 3dho s ILE 63 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3dho s ILE 63 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3dho s ILE 63 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3dho n GLY 64 N 3.50 -1.41 3.90 6.18 0.00 -0.32 -0.38 105.19 116.67 3dho n GLY 64 Ca -0.20 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.52 3.62 -1.45 1.61 1.02 -1.26 -2.46 119.74 119.31 3dho s LYS 65 Ca 0.00 0.11 -0.10 0.00 0.02 0.00 0.00 55.97 56.00 3dho s LYS 65 Cb 0.00 -2.53 0.06 0.00 -0.52 0.00 0.00 37.83 34.84 3dho s LYS 65 CO 0.00 0.05 0.74 1.19 -0.92 0.00 0.00 175.35 176.41 3dho n PHE 66 N -1.44 -2.09 -3.00 3.18 3.72 -0.92 -0.83 117.46 116.09 3dho n PHE 66 Ca -0.01 0.67 -0.31 0.00 -0.05 0.00 0.00 57.45 57.76 3dho n PHE 66 Cb 0.55 -3.81 -0.04 0.00 -0.94 0.00 0.00 39.48 35.23 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 -2.81 4.32 -0.26 0.00 0.01 -0.14 -1.18 113.70 113.64 3dho s SER 68 Ca 0.52 -1.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 3dho s SER 68 Cb -0.10 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.59 3dho s SER 68 CO 0.26 -0.17 0.02 -0.63 0.41 0.00 0.00 173.24 173.13 3dho s ILE 69 N 1.12 3.69 0.88 1.44 -1.09 -0.31 -0.76 121.20 126.17 3dho s ILE 69 Ca -0.08 -0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 57.62 3dho s ILE 69 Cb -0.19 -2.81 0.12 0.00 -1.58 0.00 0.00 42.46 37.99 3dho s ILE 69 CO -0.06 0.23 1.13 -0.83 -1.23 0.00 0.00 174.94 174.18 3dho s GLY 70 N 1.49 1.59 0.34 6.18 0.00 0.60 -1.63 107.32 115.89 3dho s GLY 70 Ca 0.04 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 3dho s GLY 70 CO -0.00 0.09 1.47 2.56 0.00 0.00 0.00 173.10 177.22 3dho s PRO 71 N -5.25 4.17 0.00 2.90 0.04 -0.97 -2.90 135.00 133.00 3dho s PRO 71 Ca 0.63 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.15 3dho s PRO 71 Cb -0.15 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3dho s PRO 71 CO 0.53 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.51 3dho n GLY 72 N 1.03 1.06 3.63 0.56 0.00 -1.26 -0.36 105.19 109.85 3dho n GLY 72 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 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 0.63 -5.17 1.61 0.31 -1.14 -4.33 118.33 108.24 3dho n VAL 73 Ca 0.00 -0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 3dho n VAL 73 Cb 0.00 -1.21 -0.16 0.00 -0.91 0.00 0.00 33.84 31.57 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 0.15 2.10 -0.21 2.52 -4.23 -0.46 -4.81 115.64 110.70 3dho s THR 74 Ca 0.74 -1.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 3dho s THR 74 Cb -0.76 -1.75 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 3dho s THR 74 CO 0.48 0.51 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.36 3dho s ILE 75 N -0.68 3.10 -0.39 2.99 1.01 -0.10 -1.06 121.20 126.08 3dho s ILE 75 Ca 0.11 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 3dho s ILE 75 Cb -0.10 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3dho s ILE 75 CO 0.00 0.45 0.27 -0.63 0.00 0.00 0.00 174.94 175.03 3dho s ILE 76 N 1.38 5.13 0.22 2.92 -1.09 0.76 -0.82 121.20 129.70 3dho s ILE 76 Ca 0.05 -0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3dho s ILE 76 Cb -0.14 -3.81 0.05 0.00 -1.58 0.00 0.00 42.46 36.97 3dho s ILE 76 CO -0.05 -0.23 0.30 0.23 -1.23 0.00 0.00 174.94 173.96 3dho n MET 77 N 5.12 0.21 -0.01 2.79 2.81 0.10 -2.38 117.12 125.76 3dho n MET 77 Ca -0.12 -0.71 0.13 0.00 -1.81 0.00 0.00 57.70 55.20 3dho n MET 77 Cb 0.47 -0.24 0.67 0.00 -0.71 0.00 0.00 33.22 33.42 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 -3.04 0.60 0.00 7.83 3.02 -1.22 -4.38 115.26 118.06 3dho n ASN 78 Ca 0.05 -1.32 0.10 0.00 -0.03 0.00 0.00 54.58 53.37 3dho n ASN 78 Cb 0.16 -0.02 0.46 0.00 -0.61 0.00 0.00 39.78 39.78 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 1.01 -1.17 0.93 7.41 0.00 -0.00 -2.44 105.19 110.93 3dho n GLY 79 Ca 0.19 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.45 2.40 -1.93 4.61 0.00 -1.26 -4.99 120.51 117.89 3dho n ALA 80 Ca 0.06 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 3dho n ALA 80 Cb 0.23 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.35 6.61 0.37 0.00 0.01 -1.02 -5.01 114.94 114.53 3dho s ASN 81 Ca 0.31 2.62 -0.14 0.00 -0.71 0.00 0.00 52.86 54.94 3dho s ASN 81 Cb 0.18 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 39.16 3dho s ASN 81 CO 0.26 -0.79 0.77 -1.00 -1.51 0.00 0.00 177.10 174.83 3dho s HIS 82 N 0.87 3.41 0.33 2.20 3.76 -1.26 -4.87 115.29 119.72 3dho s HIS 82 Ca 0.67 1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 56.49 3dho s HIS 82 Cb -0.43 -2.53 -0.10 0.00 1.11 0.00 0.00 32.58 30.62 3dho s HIS 82 CO 0.34 -0.01 1.37 0.50 -0.85 0.00 0.00 174.74 176.10 3dho s ARG 83 N -3.34 4.28 0.00 1.40 3.52 -1.26 -4.53 118.95 119.02 3dho s ARG 83 Ca 0.54 2.32 0.02 0.00 -0.13 0.00 0.00 55.73 58.48 3dho s ARG 83 Cb -0.10 -3.05 0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3dho s ARG 83 CO 0.23 -0.31 0.93 0.00 -0.81 0.00 0.00 175.30 175.33 3dho n MET 84 N 0.96 0.00 0.25 5.12 0.00 -1.26 -3.94 117.12 118.24 3dho n MET 84 Ca 0.01 -0.90 0.16 0.00 0.00 0.00 0.00 57.70 56.97 3dho n MET 84 Cb 0.41 -0.36 0.57 0.00 0.00 0.00 0.00 33.22 33.84 3dho n MET 84 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 3dho h ASP 85 N 0.07 0.00 0.00 3.17 2.03 -1.92 -3.46 116.42 116.32 3dho h ASP 85 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3dho h ASP 85 Cb 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 3dho h ASP 85 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 3dho n GLY 86 N 0.26 4.76 3.76 7.15 0.00 -1.26 -5.12 105.19 114.74 3dho n GLY 86 Ca 0.01 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 1.05 6.61 0.00 1.61 0.15 -1.26 -4.91 113.70 116.95 3dho s SER 87 Ca 0.00 2.78 0.30 0.00 0.70 0.00 0.00 55.95 59.73 3dho s SER 87 Cb 0.00 -2.64 1.51 0.00 -1.71 0.00 0.00 66.02 63.17 3dho s SER 87 CO 0.00 -0.69 2.02 0.35 1.20 0.00 0.00 173.24 176.12 3dho n THR 88 N 1.29 0.00 -2.07 6.45 -2.24 -1.25 -4.62 114.28 111.84 3dho n THR 88 Ca 0.03 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3dho n THR 88 Cb 0.40 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.35 2.21 -1.41 4.78 6.14 -1.26 -4.73 117.35 120.73 3dho s TYR 89 Ca 0.35 0.36 -0.12 0.00 0.64 0.00 0.00 57.07 58.30 3dho s TYR 89 Cb 0.21 -3.85 0.08 0.00 0.42 0.00 0.00 41.96 38.81 3dho s TYR 89 CO 0.43 -3.47 2.18 -0.35 0.64 0.00 0.00 175.55 174.98 3dho n PRO 90 N 6.72 3.24 -0.28 4.97 -0.04 -1.26 -4.78 135.00 143.57 3dho n PRO 90 Ca 0.16 -2.91 0.10 0.00 -0.04 0.00 0.00 63.50 60.81 3dho n PRO 90 Cb 0.43 -3.10 0.25 0.00 -0.04 0.00 0.00 33.50 31.03 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 5.78 0.30 -0.24 0.54 -1.00 -1.91 -1.28 116.94 119.13 3dho h PHE 91 Ca 0.54 0.05 0.07 0.00 2.81 0.00 0.00 57.97 61.44 3dho h PHE 91 Cb 0.59 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 3dho h PHE 91 CO 1.43 -0.17 0.18 -2.95 -1.61 0.00 0.00 178.31 175.18 3dho h ASN 92 N 0.22 0.00 -0.59 2.17 -1.07 -1.80 -2.11 115.58 112.41 3dho h ASN 92 Ca 0.50 0.00 0.16 0.00 0.07 0.00 0.00 56.30 57.03 3dho h ASN 92 Cb 0.96 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.18 3dho h ASN 92 CO -0.61 0.00 0.42 0.25 0.07 0.00 0.00 177.43 177.55 3dho h LEU 93 N 0.00 0.07 -1.02 6.14 6.46 -1.54 -2.93 115.31 122.49 3dho h LEU 93 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3dho h LEU 93 Cb 0.47 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3dho h LEU 93 CO -0.00 0.03 -0.14 0.49 -0.62 0.00 0.00 178.44 178.20 3dho n PHE 94 N -4.39 0.00 -3.75 1.25 3.01 -0.79 -5.04 117.46 107.75 3dho n PHE 94 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3dho n PHE 94 Cb 0.61 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 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 1.29 1.94 2.59 1.37 0.00 -1.11 -4.87 105.19 106.41 3dho n GLY 95 Ca 0.15 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.15 -4.69 0.00 1.61 3.02 -1.26 -1.00 115.26 111.79 3dho n ASN 96 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3dho n ASN 96 Cb 0.00 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 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 -0.98 2.57 0.06 7.41 0.00 -1.26 -4.91 105.19 108.08 3dho n GLY 97 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.52 0.44 0.33 1.61 7.02 -0.17 -3.35 117.44 122.81 3dho n TRP 98 Ca 0.00 0.15 0.22 0.00 -1.02 0.00 0.00 57.50 56.85 3dho n TRP 98 Cb 0.00 -0.75 1.18 0.00 -2.42 0.00 0.00 31.31 29.32 3dho n TRP 98 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3dho h GLU 99 N 0.00 0.00 0.00 -0.99 9.09 -1.71 -0.79 114.58 120.17 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 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 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 -0.79 1.06 2.10 -1.90 -2.93 116.57 114.11 3dho h LYS 100 Ca -0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 3dho h LYS 100 Cb 0.02 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.29 3dho h LYS 100 CO 0.00 0.00 0.13 0.72 -2.00 0.00 0.00 179.45 178.30 3dho n HIS 101 N -2.51 1.63 -1.69 0.07 8.25 -0.30 -4.97 115.22 115.70 3dho n HIS 101 Ca 0.00 -0.76 -0.44 0.00 -0.26 0.00 0.00 57.72 56.26 3dho n HIS 101 Cb 0.18 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 3dho n HIS 101 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3dho n MET 102 N 0.14 2.30 -2.18 -0.41 0.00 -1.11 -4.53 117.12 111.33 3dho n MET 102 Ca 0.25 0.82 -0.40 0.00 -0.00 0.00 0.00 57.70 58.38 3dho n MET 102 Cb 1.02 -2.57 -0.02 0.00 0.00 0.00 0.00 33.22 31.65 3dho n MET 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3dho s PRO 103 N 0.35 4.24 0.70 2.12 0.04 -1.26 -5.02 135.00 136.16 3dho s PRO 103 Ca 0.73 2.08 -0.14 0.00 0.04 0.00 0.00 61.00 63.71 3dho s PRO 103 Cb -0.62 -2.94 0.02 0.00 0.04 0.00 0.00 34.50 31.01 3dho s PRO 103 CO 0.42 -0.24 1.11 0.15 0.04 0.00 0.00 177.00 178.49 3dho s LYS 104 N -1.95 2.57 0.30 4.56 1.02 -1.26 -4.93 119.74 120.05 3dho s LYS 104 Ca 0.52 1.37 0.04 0.00 0.02 0.00 0.00 55.97 57.92 3dho s LYS 104 Cb -0.37 -1.92 0.67 0.00 -0.52 0.00 0.00 37.83 35.69 3dho s LYS 104 CO 0.48 -1.43 1.82 1.25 -0.92 0.00 0.00 175.35 176.55 3dho h LEU 105 N -0.32 0.83 0.00 3.17 5.85 -1.96 0.13 115.31 123.00 3dho h LEU 105 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3dho h LEU 105 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3dho h LEU 105 CO 0.53 0.39 0.00 -0.90 -0.34 0.00 0.00 178.44 178.11 3dho n ASP 106 N -4.66 0.00 -0.36 1.25 5.68 -1.26 -2.34 116.55 114.85 3dho n ASP 106 Ca 0.20 -0.49 0.12 0.00 -0.50 0.00 0.00 54.79 54.13 3dho n ASP 106 Cb 0.46 -0.15 0.18 0.00 -1.14 0.00 0.00 41.12 40.47 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 -1.15 1.00 -3.45 0.11 6.02 0.03 -4.88 117.38 115.06 3dho n GLN 107 Ca 0.17 -0.73 -0.39 0.00 -0.01 0.00 0.00 57.00 56.04 3dho n GLN 107 Cb 0.16 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 3dho n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dho s LEU 108 N -2.50 4.10 0.25 1.08 1.43 -0.99 -4.60 118.68 117.44 3dho s LEU 108 Ca 0.21 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 3dho s LEU 108 Cb 0.19 -2.32 -0.14 0.00 0.03 0.00 0.00 46.19 43.95 3dho s LEU 108 CO 0.55 -0.17 1.24 -2.65 0.23 0.00 0.00 176.35 175.56 3dho n PRO 109 N 5.25 1.69 -3.99 1.29 -0.02 -1.26 -4.99 135.00 132.97 3dho n PRO 109 Ca -0.10 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.68 3dho n PRO 109 Cb 0.51 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 3dho n PRO 109 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3dho s ILE 110 N -0.48 1.51 -0.29 4.25 1.10 -1.26 -4.91 121.20 121.12 3dho s ILE 110 Ca 0.65 -0.74 0.26 0.00 -0.51 0.00 0.00 60.65 60.32 3dho s ILE 110 Cb -0.70 -1.51 0.35 0.00 0.15 0.00 0.00 42.46 40.76 3dho s ILE 110 CO 0.55 0.32 1.72 0.11 -2.11 0.00 0.00 174.94 175.52 3dho h LYS 111 N 8.04 0.00 0.00 3.50 1.57 -1.94 -3.50 116.57 124.25 3dho h LYS 111 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3dho h LYS 111 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3dho h LYS 111 CO 0.49 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.78 3dho n GLY 112 N 0.80 0.50 3.87 3.86 0.00 -1.26 -4.54 105.19 108.43 3dho n GLY 112 Ca 0.03 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 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 -2.80 6.04 -0.21 1.61 1.01 -1.26 -3.59 116.67 117.47 3dho s ASP 113 Ca 0.00 1.34 -0.06 0.00 0.71 0.00 0.00 52.55 54.55 3dho s ASP 113 Cb 0.00 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 3dho s ASP 113 CO 0.00 -0.98 0.02 -0.89 0.21 0.00 0.00 175.17 173.53 3dho s THR 114 N -3.22 4.12 -0.19 -1.27 2.01 -0.07 -3.58 115.64 113.44 3dho s THR 114 Ca 0.56 -0.25 -0.01 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 69.58 3dho s THR 114 CO 0.53 0.41 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.23 3dho s ILE 115 N 1.05 0.96 -0.18 1.82 1.01 -0.42 -0.90 121.20 124.54 3dho s ILE 115 Ca 0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3dho s ILE 115 Cb -0.14 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3dho s ILE 115 CO 0.02 -0.06 0.08 -0.63 0.00 0.00 0.00 174.94 174.35 3dho s ILE 116 N 1.67 5.00 0.00 2.92 1.01 0.61 -0.16 121.20 132.25 3dho s ILE 116 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3dho s ILE 116 Cb -0.17 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3dho s ILE 116 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3dho n GLY 117 N 3.32 -0.62 3.91 6.18 0.00 0.99 -1.17 105.19 117.80 3dho n GLY 117 Ca -0.17 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.09 6.43 -1.46 1.61 0.01 -1.26 -1.91 114.94 117.26 3dho s ASN 118 Ca 0.00 0.48 -0.09 0.00 -0.71 0.00 0.00 52.86 52.54 3dho s ASN 118 Cb 0.00 -2.04 0.04 0.00 0.41 0.00 0.00 41.25 39.65 3dho s ASN 118 CO 0.00 0.01 0.81 -0.67 -1.51 0.00 0.00 177.10 175.75 3dho n ASP 119 N -0.26 -5.51 -4.80 -1.22 4.64 -0.01 -0.56 116.55 108.83 3dho n ASP 119 Ca -0.04 -0.47 -0.36 0.00 -1.38 0.00 0.00 54.79 52.54 3dho n ASP 119 Cb 0.53 -4.42 -0.07 0.00 -1.04 0.00 0.00 41.12 36.11 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 -3.20 5.44 -0.29 5.18 1.01 -1.26 -3.31 120.40 123.97 3dho s VAL 120 Ca 0.47 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 3dho s VAL 120 Cb -0.22 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3dho s VAL 120 CO 0.58 0.52 0.07 0.86 0.00 0.00 0.00 175.10 177.14 3dho s TRP 121 N -0.27 3.14 -0.25 5.22 -0.00 -0.83 -0.97 118.94 124.97 3dho s TRP 121 Ca 0.12 -0.94 -0.07 0.00 -0.00 0.00 0.00 56.10 55.20 3dho s TRP 121 Cb -0.12 -2.25 -0.03 0.00 -0.00 0.00 0.00 33.47 31.08 3dho s TRP 121 CO 0.01 -0.56 0.08 0.42 -0.00 0.00 0.00 176.95 176.90 3dho s ILE 122 N 1.50 4.33 1.04 5.86 -1.09 0.06 -0.81 121.20 132.09 3dho s ILE 122 Ca 0.03 -0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.12 3dho s ILE 122 Cb -0.17 -3.04 0.21 0.00 -1.58 0.00 0.00 42.46 37.88 3dho s ILE 122 CO 0.02 0.32 1.10 -0.83 -1.23 0.00 0.00 174.94 174.32 3dho s GLY 123 N 1.61 1.57 0.24 6.18 0.00 0.14 -0.29 107.32 116.77 3dho s GLY 123 Ca 0.06 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 3dho s GLY 123 CO 0.04 0.16 1.14 1.17 0.00 0.00 0.00 173.10 175.60 3dho n LYS 124 N -4.27 1.44 -1.44 2.90 4.81 -1.26 -2.86 118.16 117.47 3dho n LYS 124 Ca 0.07 0.51 -0.15 0.00 -0.87 0.00 0.00 58.31 57.86 3dho n LYS 124 Cb 0.58 -1.98 -0.07 0.00 0.02 0.00 0.00 35.03 33.59 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 1.62 -5.46 -4.76 3.14 10.43 0.52 -0.39 116.55 121.64 3dho n ASP 125 Ca 0.11 0.38 -0.39 0.00 2.57 0.00 0.00 54.79 57.47 3dho n ASP 125 Cb 0.30 -4.42 0.01 0.00 1.84 0.00 0.00 41.12 38.84 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 -2.31 2.46 -0.20 2.53 1.01 -1.13 -4.33 120.40 118.43 3dho s VAL 126 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 3dho s VAL 126 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3dho s VAL 126 CO 0.00 0.03 -0.02 -0.69 0.00 0.00 0.00 175.10 174.42 3dho s VAL 127 N -1.31 3.74 -0.38 2.92 1.01 -0.29 -1.36 120.40 124.74 3dho s VAL 127 Ca 0.62 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 3dho s VAL 127 Cb -0.38 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.33 3dho s VAL 127 CO 0.48 0.43 0.22 -0.63 0.00 0.00 0.00 175.10 175.60 3dho s ILE 128 N 1.11 4.68 0.74 2.22 1.01 -0.22 -0.43 121.20 130.31 3dho s ILE 128 Ca 0.02 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 3dho s ILE 128 Cb -0.14 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.76 3dho s ILE 128 CO 0.01 -0.23 1.09 -0.04 0.00 0.00 0.00 174.94 175.76 3dho s MET 129 N 1.58 2.55 0.61 2.79 -1.94 -0.48 -0.17 119.30 124.23 3dho s MET 129 Ca 0.03 0.61 -0.19 0.00 -1.71 0.00 0.00 55.69 54.42 3dho s MET 129 Cb -0.19 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 3dho s MET 129 CO 0.07 -1.29 1.33 -2.14 -0.01 0.00 0.00 175.02 172.98 3dho s PRO 130 N -5.22 2.77 0.00 2.03 0.02 -1.00 -3.72 135.00 129.88 3dho s PRO 130 Ca 0.59 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3dho s PRO 130 Cb -0.13 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3dho s PRO 130 CO 0.53 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 3dho n GLY 131 N 0.84 0.78 3.78 0.52 0.00 -1.24 -4.82 105.19 105.07 3dho n GLY 131 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.03 4.35 -0.11 1.61 1.01 -1.23 -4.66 120.40 118.33 3dho s VAL 132 Ca 0.00 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.67 3dho s VAL 132 Cb 0.00 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3dho s VAL 132 CO 0.00 0.36 -0.17 -0.54 0.00 0.00 0.00 175.10 174.76 3dho s LYS 133 N -1.54 3.20 -0.17 2.72 -0.14 -1.26 -1.30 119.74 121.25 3dho s LYS 133 Ca 0.41 -0.75 0.01 0.00 -1.36 0.00 0.00 55.97 54.28 3dho s LYS 133 Cb -0.21 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 3dho s LYS 133 CO 0.25 0.24 -0.18 0.42 -0.76 0.00 0.00 175.35 175.32 3dho s ILE 134 N 0.25 1.92 0.71 2.17 1.01 0.77 -1.00 121.20 127.04 3dho s ILE 134 Ca -0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3dho s ILE 134 Cb -0.16 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3dho s ILE 134 CO 0.06 0.52 1.07 -0.83 0.00 0.00 0.00 174.94 175.75 3dho s GLY 135 N 1.34 1.66 0.31 6.18 0.00 -0.05 -0.01 107.32 116.76 3dho s GLY 135 Ca 0.05 0.07 -0.27 0.00 0.00 0.00 0.00 44.72 44.57 3dho s GLY 135 CO -0.12 0.39 0.85 1.22 0.00 0.00 0.00 173.10 175.44 3dho n ASP 136 N -3.19 0.52 0.00 1.64 10.43 -1.26 -2.49 116.55 122.19 3dho n ASP 136 Ca 0.08 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.54 3dho n ASP 136 Cb 0.54 -1.21 0.00 0.00 1.84 0.00 0.00 41.12 42.28 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 1.43 0.31 3.74 0.44 0.00 0.27 -0.33 105.19 111.05 3dho n GLY 137 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.82 2.21 -0.10 4.61 0.00 -1.04 -3.89 121.76 121.73 3dho s ALA 138 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3dho s ALA 138 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3dho s ALA 138 CO 0.00 -1.72 -0.15 0.42 0.00 0.00 0.00 175.76 174.31 3dho s ILE 139 N -2.35 1.43 -0.22 0.00 1.01 -0.04 -1.97 121.20 119.05 3dho s ILE 139 Ca 0.68 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 3dho s ILE 139 Cb -0.23 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3dho s ILE 139 CO 0.47 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 175.09 3dho s VAL 140 N 0.90 3.30 0.55 2.92 1.01 0.01 -0.47 120.40 128.62 3dho s VAL 140 Ca -0.09 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 3dho s VAL 140 Cb -0.15 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3dho s VAL 140 CO 0.00 0.43 1.37 0.00 0.00 0.00 0.00 175.10 176.90 3dho n ALA 141 N 4.79 1.62 -1.48 5.51 0.00 0.04 -0.69 120.51 130.30 3dho n ALA 141 Ca -0.18 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 3dho n ALA 141 Cb 0.51 -2.36 -0.00 0.00 0.00 0.00 0.00 19.45 17.59 3dho n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dho n ALA 142 N -1.07 -1.33 -1.19 0.00 0.00 -1.26 -2.36 120.51 113.30 3dho n ALA 142 Ca 0.11 0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 3dho n ALA 142 Cb 0.45 -1.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 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 1.33 -5.06 -4.78 0.00 3.02 0.48 -4.81 115.26 105.44 3dho n ASN 143 Ca 0.12 0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 3dho n ASN 143 Cb 0.36 -3.14 0.06 0.00 -0.61 0.00 0.00 39.78 36.45 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 -2.36 4.99 -0.26 6.41 0.01 -0.99 -4.73 113.70 116.77 3dho s SER 144 Ca 0.00 1.89 0.02 0.00 1.31 0.00 0.00 55.95 59.17 3dho s SER 144 Cb 0.00 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.76 3dho s SER 144 CO 0.00 -1.71 -0.06 -0.69 0.41 0.00 0.00 173.24 171.19 3dho s VAL 145 N -2.60 1.85 -0.33 3.43 1.01 -0.25 -1.13 120.40 122.37 3dho s VAL 145 Ca 0.64 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 3dho s VAL 145 Cb -0.18 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3dho s VAL 145 CO 0.47 -0.14 0.50 -0.69 0.00 0.00 0.00 175.10 175.23 3dho s VAL 146 N 1.23 5.04 -0.05 2.92 1.01 0.42 -0.98 120.40 129.99 3dho s VAL 146 Ca -0.05 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.38 3dho s VAL 146 Cb -0.19 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3dho s VAL 146 CO -0.07 -0.15 0.13 1.33 0.00 0.00 0.00 175.10 176.34 3dho n VAL 147 N 5.36 0.00 -4.31 2.92 0.24 -1.26 -1.38 118.33 119.90 3dho n VAL 147 Ca -0.05 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 3dho n VAL 147 Cb 0.49 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.28 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 -2.15 1.40 0.61 7.34 -2.85 -1.26 -4.85 119.74 117.98 3dho s LYS 148 Ca -0.01 -1.75 -0.19 0.00 -1.00 0.00 0.00 55.97 53.02 3dho s LYS 148 Cb 0.03 -0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.53 3dho s LYS 148 CO 0.20 -0.30 1.27 -0.51 0.10 0.00 0.00 175.35 176.11 3dho s ASP 149 N -3.30 4.97 -0.12 0.03 1.01 -1.26 -4.74 116.67 113.26 3dho s ASP 149 Ca 0.38 2.54 0.03 0.00 0.71 0.00 0.00 52.55 56.21 3dho s ASP 149 Cb 0.08 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.40 3dho s ASP 149 CO 0.13 -1.75 -0.22 -0.63 0.21 0.00 0.00 175.17 172.91 3dho s ILE 150 N -1.46 2.00 0.75 0.77 1.01 -0.17 -4.96 121.20 119.14 3dho s ILE 150 Ca 0.79 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3dho s ILE 150 Cb -0.35 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.41 3dho s ILE 150 CO 0.38 0.54 1.08 0.00 0.00 0.00 0.00 174.94 176.94 3dho s ALA 151 N 0.59 2.40 0.51 9.38 0.00 -1.26 -0.87 121.76 132.51 3dho s ALA 151 Ca -0.13 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.81 3dho s ALA 151 Cb -0.17 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3dho s ALA 151 CO 0.04 -1.58 1.23 -2.30 0.00 0.00 0.00 175.76 173.15 3dho n PRO 152 N -3.38 1.60 -2.13 0.00 -0.02 -1.26 -3.02 135.00 126.79 3dho n PRO 152 Ca 0.09 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 3dho n PRO 152 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.86 -0.89 -3.44 6.00 4.02 0.55 -4.85 117.16 117.69 3dho n TYR 153 Ca 0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.61 3dho n TYR 153 Cb 0.43 -3.27 -0.06 0.00 -0.02 0.00 0.00 39.34 36.42 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 -4.53 3.97 -0.02 -0.72 -1.94 -1.17 -0.56 119.30 114.33 3dho s MET 154 Ca 0.00 0.46 -0.28 0.00 -1.71 0.00 0.00 55.69 54.16 3dho s MET 154 Cb 0.00 -3.15 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 3dho s MET 154 CO 0.00 0.63 0.89 -0.51 -0.01 0.00 0.00 175.02 176.02 3dho s LEU 155 N -1.32 4.35 0.05 -0.03 1.43 -0.19 -0.86 118.68 122.13 3dho s LEU 155 Ca 0.28 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 3dho s LEU 155 Cb -0.17 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3dho s LEU 155 CO 0.16 -0.21 -0.08 0.00 0.23 0.00 0.00 176.35 176.45 3dho s ALA 156 N 0.93 0.68 -0.03 4.21 0.00 0.38 0.15 121.76 128.08 3dho s ALA 156 Ca 0.47 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 3dho s ALA 156 Cb -0.20 0.06 0.11 0.00 0.00 0.00 0.00 23.12 23.09 3dho s ALA 156 CO 0.25 -0.06 0.93 0.20 0.00 0.00 0.00 175.76 177.08 3dho s GLY 157 N -1.89 -0.44 0.00 0.00 0.00 -0.45 -0.78 107.32 103.77 3dho s GLY 157 Ca -0.05 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.81 3dho s GLY 157 CO -0.01 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.11 3dho n GLY 158 N -0.16 0.75 2.60 0.20 0.00 -1.26 -1.41 105.19 105.91 3dho n GLY 158 Ca -0.08 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.43 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 3.66 0.54 1.61 2.47 -1.26 -1.09 114.94 120.86 3dho s ASN 159 Ca 0.00 -1.51 -0.19 0.00 0.42 0.00 0.00 52.86 51.58 3dho s ASN 159 Cb 0.00 -0.54 -0.06 0.00 -1.45 0.00 0.00 41.25 39.20 3dho s ASN 159 CO 0.00 -0.42 1.07 -2.16 -3.72 0.00 0.00 177.10 171.87 3dho s PRO 160 N 1.81 3.52 0.20 0.43 0.04 -1.26 -4.99 135.00 134.75 3dho s PRO 160 Ca 0.10 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3dho s PRO 160 Cb -0.17 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3dho s PRO 160 CO -0.29 -0.67 1.37 0.00 0.04 0.00 0.00 177.00 177.44 3dho s ALA 161 N -2.07 3.57 0.16 8.56 0.00 -0.15 -4.91 121.76 126.92 3dho s ALA 161 Ca 0.68 1.19 0.09 0.00 0.00 0.00 0.00 51.96 53.91 3dho s ALA 161 Cb -0.18 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3dho s ALA 161 CO 0.27 -0.62 -0.20 -0.80 0.00 0.00 0.00 175.76 174.41 3dho s ASN 162 N 0.45 2.86 0.16 0.00 0.01 -0.50 -4.77 114.94 113.14 3dho s ASN 162 Ca 0.59 -0.83 -0.31 0.00 -0.71 0.00 0.00 52.86 51.60 3dho s ASN 162 Cb -0.38 -0.18 -0.09 0.00 0.41 0.00 0.00 41.25 41.01 3dho s ASN 162 CO 0.39 0.02 1.44 -1.61 -1.51 0.00 0.00 177.10 175.83 3dho s GLU 163 N -2.59 4.29 -0.21 -0.60 2.02 -1.26 -1.34 118.70 119.01 3dho s GLU 163 Ca 0.15 2.19 -0.16 0.00 0.02 0.00 0.00 54.97 57.17 3dho s GLU 163 Cb -0.07 -3.19 -0.12 0.00 0.10 0.00 0.00 34.13 30.85 3dho s GLU 163 CO 0.07 -0.46 -0.12 -0.89 0.02 0.00 0.00 175.26 173.87 3dho n ILE 164 N 3.57 1.50 -3.56 -1.63 5.41 0.12 -4.95 119.36 119.82 3dho n ILE 164 Ca 0.11 -0.05 -0.07 0.00 1.00 0.00 0.00 62.75 63.74 3dho n ILE 164 Cb 0.41 -2.12 -0.02 0.00 -0.71 0.00 0.00 39.64 37.20 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 -2.47 0.88 0.25 0.38 -2.85 -1.19 -5.03 119.74 109.72 3dho s LYS 165 Ca -0.29 -0.38 -0.30 0.00 -1.00 0.00 0.00 55.97 54.01 3dho s LYS 165 Cb 0.07 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 36.13 3dho s LYS 165 CO 0.46 -0.39 1.23 -0.65 0.10 0.00 0.00 175.35 176.09 3dho s GLN 166 N -3.13 4.47 0.27 1.78 -0.21 -1.26 -1.02 119.66 120.56 3dho s GLN 166 Ca 0.07 1.99 -0.02 0.00 0.02 0.00 0.00 55.36 57.42 3dho s GLN 166 Cb -0.01 -3.17 0.36 0.00 1.00 0.00 0.00 33.01 31.19 3dho s GLN 166 CO -0.06 -0.07 1.78 0.00 -2.12 0.00 0.00 175.29 174.82 3dho h ARG 167 N 4.41 0.81 -4.97 2.91 3.08 -1.17 -3.46 114.38 115.99 3dho h ARG 167 Ca -0.46 -0.20 -0.35 0.00 0.07 0.00 0.00 59.98 59.04 3dho h ARG 167 Cb 1.22 -0.10 -0.14 0.00 0.08 0.00 0.00 29.97 31.02 3dho h ARG 167 CO 0.71 0.78 -0.65 -0.06 -1.07 0.00 0.00 179.97 179.68 3dho s PHE 168 N -5.07 1.48 0.75 3.04 0.08 -1.26 -5.10 117.98 111.90 3dho s PHE 168 Ca -0.10 -1.02 -0.15 0.00 0.12 0.00 0.00 56.93 55.79 3dho s PHE 168 Cb 0.15 -0.87 0.05 0.00 -0.57 0.00 0.00 43.02 41.78 3dho s PHE 168 CO 0.81 -0.16 1.20 -0.40 -0.10 0.00 0.00 175.22 176.57 3dho n ASP 169 N -0.40 1.27 -0.31 1.36 5.75 -1.26 -4.75 116.55 118.21 3dho n ASP 169 Ca -0.04 0.67 0.07 0.00 -0.01 0.00 0.00 54.79 55.48 3dho n ASP 169 Cb 0.64 -1.51 0.28 0.00 -1.03 0.00 0.00 41.12 39.51 3dho n ASP 169 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3dho h GLN 170 N -0.41 0.89 -0.37 0.11 5.75 -1.99 -1.50 115.11 117.58 3dho h GLN 170 Ca -0.48 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.94 3dho h GLN 170 Cb 1.31 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3dho h GLN 170 CO 0.48 0.59 0.10 0.22 -2.65 0.00 0.00 178.83 177.57 3dho h ASP 171 N 0.92 0.55 -0.41 -0.69 1.82 -1.99 -0.10 116.42 116.52 3dho h ASP 171 Ca 0.44 -0.22 0.03 0.00 -0.39 0.00 0.00 57.03 56.89 3dho h ASP 171 Cb 0.44 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 3dho h ASP 171 CO -0.20 0.63 0.20 0.74 -1.61 0.00 0.00 179.24 179.00 3dho h THR 172 N 0.45 0.96 -0.06 2.25 2.02 -1.75 0.12 112.91 116.90 3dho h THR 172 Ca 0.12 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3dho h THR 172 Cb 0.28 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3dho h THR 172 CO -0.00 0.07 -0.01 0.40 0.37 0.00 0.00 175.52 176.35 3dho h ILE 173 N 0.41 0.94 -0.76 3.11 2.04 -1.09 -0.50 117.51 121.65 3dho h ILE 173 Ca 0.18 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 3dho h ILE 173 Cb 0.09 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3dho h ILE 173 CO -0.13 0.00 0.31 0.78 0.00 0.00 0.00 178.15 179.11 3dho h ASN 174 N 0.00 1.03 -0.19 1.72 2.35 -0.66 0.07 115.58 119.90 3dho h ASN 174 Ca 0.03 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3dho h ASN 174 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3dho h ASN 174 CO -0.06 0.90 0.09 -0.61 -1.65 0.00 0.00 177.43 176.10 3dho h GLN 175 N 1.10 0.20 -0.92 0.81 5.75 -0.47 -1.67 115.11 119.90 3dho h GLN 175 Ca 0.26 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3dho h GLN 175 Cb 0.19 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3dho h GLN 175 CO -0.02 0.13 0.56 -0.07 -2.65 0.00 0.00 178.83 176.78 3dho h LEU 176 N 0.20 1.10 -1.51 -2.39 3.38 -0.64 -0.50 115.31 114.95 3dho h LEU 176 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3dho h LEU 176 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dho h LEU 176 CO -0.05 0.84 -0.25 -0.07 0.09 0.00 0.00 178.44 178.99 3dho h LEU 177 N 1.26 0.00 0.11 1.67 3.38 -0.80 -2.13 115.31 118.81 3dho h LEU 177 Ca 0.33 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.13 3dho h LEU 177 Cb -0.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.70 3dho h LEU 177 CO -0.06 0.25 -0.74 -0.78 0.09 0.00 0.00 178.44 177.20 3dho h ASP 178 N 0.00 0.45 -0.51 -0.43 3.58 -0.56 -3.37 116.42 115.59 3dho h ASP 178 Ca -0.00 -0.93 -0.01 0.00 0.42 0.00 0.00 57.03 56.51 3dho h ASP 178 Cb 0.51 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 3dho h ASP 178 CO 0.03 1.34 0.28 0.40 -2.88 0.00 0.00 179.24 178.42 3dho h ILE 179 N -0.37 1.17 -6.41 2.25 2.04 -0.98 -3.48 117.51 111.74 3dho h ILE 179 Ca -0.12 -0.43 -0.45 0.00 1.00 0.00 0.00 64.86 64.86 3dho h ILE 179 Cb 1.56 0.54 0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3dho h ILE 179 CO 0.14 0.18 -0.91 0.29 0.00 0.00 0.00 178.15 177.85 3dho n LYS 180 N -4.65 -1.03 0.08 2.37 5.02 -0.81 -4.84 118.16 114.29 3dho n LYS 180 Ca 0.02 0.48 0.16 0.00 -2.02 0.00 0.00 58.31 56.96 3dho n LYS 180 Cb 0.08 -3.60 0.67 0.00 -0.02 0.00 0.00 35.03 32.16 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 -1.68 0.01 0.00 2.13 5.08 -1.93 -1.58 115.95 117.99 3dho h TRP 181 Ca -0.63 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.35 3dho h TRP 181 Cb 1.35 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3dho h TRP 181 CO 0.32 0.00 0.00 0.11 -1.28 0.00 0.00 178.44 177.59 3dho h TRP 182 N 0.01 0.00 -0.03 0.12 0.09 -1.97 -1.52 115.95 112.66 3dho h TRP 182 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.15 3dho h TRP 182 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.93 3dho h TRP 182 CO -0.00 0.00 -0.05 0.09 0.09 0.00 0.00 178.44 178.57 3dho n ASN 183 N -2.83 2.85 -4.74 0.11 3.02 -0.59 -4.98 115.26 108.10 3dho n ASN 183 Ca -0.02 -1.93 -0.33 0.00 -0.03 0.00 0.00 54.58 52.27 3dho n ASN 183 Cb 0.12 0.06 0.08 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.02 2.28 0.32 3.10 0.51 -0.57 -4.95 118.94 117.60 3dho s TRP 184 Ca 0.26 1.59 -0.28 0.00 -2.12 0.00 0.00 56.10 55.55 3dho s TRP 184 Cb 0.19 -3.32 -0.13 0.00 -0.81 0.00 0.00 33.47 29.40 3dho s TRP 184 CO 0.33 -2.21 1.27 -2.30 -0.51 0.00 0.00 176.95 173.53 3dho n PRO 185 N -2.70 2.02 -0.24 4.98 -0.02 -1.26 -4.71 135.00 133.07 3dho n PRO 185 Ca 0.12 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3dho n PRO 185 Cb 0.51 -2.28 0.40 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.56 0.85 -0.31 4.25 6.09 -1.96 0.21 117.51 129.20 3dho h ILE 186 Ca -0.45 -0.22 -0.07 0.00 -1.37 0.00 0.00 64.86 62.74 3dho h ILE 186 Cb 1.29 0.15 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 3dho h ILE 186 CO 0.64 0.12 -0.12 0.44 -3.07 0.00 0.00 178.15 176.16 3dho h ASP 187 N 0.65 0.50 -0.22 2.19 3.32 -1.97 -0.21 116.42 120.70 3dho h ASP 187 Ca 0.41 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 3dho h ASP 187 Cb 0.68 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3dho h ASP 187 CO -0.17 0.66 -0.40 0.40 -1.72 0.00 0.00 179.24 178.01 3dho h ILE 188 N 0.48 1.32 0.02 0.35 1.08 -1.38 -1.89 117.51 117.48 3dho h ILE 188 Ca 0.09 -1.62 0.03 0.00 -0.39 0.00 0.00 64.86 62.97 3dho h ILE 188 Cb 0.50 1.81 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 3dho h ILE 188 CO 0.03 0.51 -0.36 0.40 -0.69 0.00 0.00 178.15 178.04 3dho h ILE 189 N 0.35 0.24 -0.96 -0.67 2.04 -0.85 -2.67 117.51 114.99 3dho h ILE 189 Ca 0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.07 3dho h ILE 189 Cb 1.00 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.21 3dho h ILE 189 CO 0.09 0.00 0.55 0.78 0.00 0.00 0.00 178.15 179.57 3dho h ASN 190 N -0.52 0.66 0.27 1.72 2.35 -0.97 0.96 115.58 120.05 3dho h ASN 190 Ca 0.05 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3dho h ASN 190 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 3dho h ASN 190 CO -0.28 0.20 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.30 3dho h GLU 191 N 0.66 0.00 0.00 0.81 5.08 -1.04 -3.30 114.58 116.79 3dho h GLU 191 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3dho h GLU 191 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dho h GLU 191 CO -0.42 0.07 -0.01 0.09 -1.00 0.00 0.00 179.01 177.74 3dho n ASN 192 N -3.62 1.77 -0.20 1.42 3.02 0.24 -4.83 115.26 113.06 3dho n ASN 192 Ca -0.02 -2.07 -0.01 0.00 -0.03 0.00 0.00 54.58 52.44 3dho n ASN 192 Cb 0.19 -0.08 0.10 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.56 0.83 -0.30 2.41 2.04 -1.39 0.10 117.51 121.77 3dho h ILE 193 Ca 0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3dho h ILE 193 Cb 0.67 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3dho h ILE 193 CO 0.00 0.08 0.15 0.44 0.00 0.00 0.00 178.15 178.82 3dho h ASP 194 N 0.46 0.36 0.76 1.72 3.32 -1.89 0.97 116.42 122.12 3dho h ASP 194 Ca 0.29 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.11 3dho h ASP 194 Cb 0.31 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3dho h ASP 194 CO -0.26 0.30 -0.94 0.11 -1.72 0.00 0.00 179.24 176.73 3dho h LYS 195 N 0.41 0.11 -0.59 3.56 1.57 -1.50 -0.99 116.57 119.13 3dho h LYS 195 Ca 0.11 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3dho h LYS 195 Cb 0.04 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3dho h LYS 195 CO -0.02 0.97 0.08 0.82 -0.57 0.00 0.00 179.45 180.73 3dho h ILE 196 N 0.05 1.25 -0.03 1.86 2.04 -0.07 -1.02 117.51 121.60 3dho h ILE 196 Ca -0.04 -0.99 -0.17 0.00 1.00 0.00 0.00 64.86 64.66 3dho h ILE 196 Cb 1.62 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3dho h ILE 196 CO 0.14 0.37 -0.74 -0.07 0.00 0.00 0.00 178.15 177.85 3dho h LEU 197 N 0.91 0.20 -2.27 1.44 3.38 -0.65 -3.21 115.31 115.10 3dho h LEU 197 Ca 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dho h LEU 197 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3dho h LEU 197 CO 0.01 0.87 0.00 -0.90 0.09 0.00 0.00 178.44 178.51 3dho n ASP 198 N -3.75 3.25 0.00 -0.43 5.68 -0.39 -4.97 116.55 115.94 3dho n ASP 198 Ca -0.03 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3dho n ASP 198 Cb 0.71 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 1.32 0.00 0.02 -1.12 4.13 -0.43 -4.87 115.26 114.32 3dho n ASN 199 Ca 0.17 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.48 3dho n ASN 199 Cb 0.56 -0.61 0.23 0.00 -1.54 0.00 0.00 39.78 38.42 3dho n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3dho n SER 200 N 0.00 0.09 0.12 6.41 3.41 -0.96 -1.95 113.62 120.73 3dho n SER 200 Ca 0.00 0.53 0.20 0.00 -0.26 0.00 0.00 58.87 59.34 3dho n SER 200 Cb 0.00 -0.54 0.75 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.34 0.00 -1.33 3.07 -1.85 -0.92 117.51 116.82 3dho h ILE 201 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3dho h ILE 201 Cb 0.16 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 3dho h ILE 201 CO 0.00 0.00 0.00 0.16 -1.05 0.00 0.00 178.15 177.26 3dho h ILE 202 N 0.00 0.00 -0.03 0.16 3.07 -1.72 -3.51 117.51 115.48 3dho h ILE 202 Ca 0.17 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3dho h ILE 202 Cb 1.03 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3dho h ILE 202 CO -0.00 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 177.64