#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 -2.86 3.85 -5.12 0.00 -1.26 -4.95 105.19 94.85 3dho n GLY 2 Ca 0.00 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.91 3.02 -0.09 1.61 0.04 -1.26 -4.99 135.00 132.41 3dho s PRO 3 Ca 0.00 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3dho s PRO 3 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3dho s PRO 3 CO 0.00 -0.98 1.41 1.21 0.04 0.00 0.00 177.00 178.67 3dho s ASN 4 N -4.07 6.85 0.29 6.66 3.84 -1.26 -4.90 114.94 122.35 3dho s ASN 4 Ca 0.57 1.95 0.22 0.00 0.21 0.00 0.00 52.86 55.82 3dho s ASN 4 Cb -0.12 -2.54 1.08 0.00 -0.55 0.00 0.00 41.25 39.12 3dho s ASN 4 CO 0.54 -0.79 1.67 -0.81 -2.79 0.00 0.00 177.10 174.92 3dho n PRO 5 N 6.40 0.16 0.00 0.43 -0.04 -1.26 -1.92 135.00 138.77 3dho n PRO 5 Ca 0.15 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.30 3dho n PRO 5 Cb 0.44 -1.92 0.56 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.24 1.14 -2.85 0.54 2.81 -1.26 -4.51 117.12 110.75 3dho n MET 6 Ca -0.00 -0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 54.92 3dho n MET 6 Cb 0.11 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 3dho n MET 6 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3dho s LYS 7 N -2.24 4.12 0.17 0.03 2.20 -0.81 -4.71 119.74 118.50 3dho s LYS 7 Ca 0.33 0.91 -0.14 0.00 -0.36 0.00 0.00 55.97 56.71 3dho s LYS 7 Cb 0.20 -3.68 0.12 0.00 -1.51 0.00 0.00 37.83 32.97 3dho s LYS 7 CO 0.42 -0.62 1.74 0.52 -0.36 0.00 0.00 175.35 177.05 3dho h MET 8 N 7.82 0.27 -3.39 4.03 2.86 -1.88 -3.33 114.93 121.31 3dho h MET 8 Ca -0.23 -0.02 -0.66 0.00 -2.06 0.00 0.00 59.70 56.74 3dho h MET 8 Cb 1.09 -0.06 -0.39 0.00 0.06 0.00 0.00 31.60 32.30 3dho h MET 8 CO 0.91 0.18 -0.50 0.71 1.06 0.00 0.00 176.91 179.26 3dho s TYR 9 N -6.15 3.35 -0.38 -0.22 1.51 -1.26 -1.04 117.35 113.16 3dho s TYR 9 Ca -0.13 -3.06 0.27 0.00 -1.01 0.00 0.00 57.07 53.14 3dho s TYR 9 Cb 0.14 -2.95 0.94 0.00 -0.11 0.00 0.00 41.96 39.98 3dho s TYR 9 CO 0.72 -0.74 1.78 -1.00 -1.11 0.00 0.00 175.55 175.20 3dho h PRO 10 N 6.47 0.00 -4.84 -1.71 0.13 -1.74 -3.42 132.00 126.89 3dho h PRO 10 Ca -0.01 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.45 3dho h PRO 10 Cb 0.88 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.78 3dho h PRO 10 CO 0.71 0.00 -0.60 0.42 -0.23 0.00 0.00 178.00 178.30 3dho s ILE 11 N -3.34 4.27 0.38 -3.56 1.01 -1.26 -4.96 121.20 113.72 3dho s ILE 11 Ca 0.05 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3dho s ILE 11 Cb 0.09 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.33 3dho s ILE 11 CO 0.52 0.16 1.41 -1.61 0.00 0.00 0.00 174.94 175.42 3dho s GLU 12 N 1.57 4.12 0.00 2.79 0.41 -1.26 -1.71 118.70 124.62 3dho s GLU 12 Ca 0.04 2.42 0.00 0.00 -0.41 0.00 0.00 54.97 57.02 3dho s GLU 12 Cb -0.16 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 3dho s GLU 12 CO 0.04 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 174.75 3dho n GLY 13 N 0.59 2.27 3.60 -1.39 0.00 -1.26 -4.96 105.19 104.04 3dho n GLY 13 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.60 6.56 0.00 1.61 3.84 -0.69 -4.90 114.94 120.75 3dho s ASN 14 Ca 0.00 0.46 0.17 0.00 0.21 0.00 0.00 52.86 53.71 3dho s ASN 14 Cb 0.00 -2.37 0.49 0.00 -0.55 0.00 0.00 41.25 38.82 3dho s ASN 14 CO 0.00 -0.60 1.41 1.17 -2.79 0.00 0.00 177.10 176.29 3dho n LYS 15 N 6.14 2.77 -0.11 0.43 3.00 -1.26 -4.55 118.16 124.58 3dho n LYS 15 Ca 0.02 -2.38 -0.25 0.00 -0.00 0.00 0.00 58.31 55.70 3dho n LYS 15 Cb 0.48 -1.44 -0.11 0.00 0.00 0.00 0.00 35.03 33.97 3dho n LYS 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3dho n SER 16 N 1.15 1.96 -4.68 3.14 7.64 -1.26 -4.89 113.62 116.67 3dho n SER 16 Ca 0.19 0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.91 3dho n SER 16 Cb 0.53 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.47 4.55 -0.01 0.44 1.01 -1.26 -1.55 120.40 121.11 3dho s VAL 17 Ca -0.33 1.85 0.02 0.00 0.00 0.00 0.00 61.98 63.52 3dho s VAL 17 Cb 0.10 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3dho s VAL 17 CO 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 3dho s GLN 18 N 2.57 0.51 -0.10 2.72 -2.07 -0.40 -4.25 119.66 118.64 3dho s GLN 18 Ca 0.50 -0.18 -0.30 0.00 -1.82 0.00 0.00 55.36 53.57 3dho s GLN 18 Cb -0.20 -0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 31.20 3dho s GLN 18 CO 0.15 0.08 1.20 -0.06 -1.32 0.00 0.00 175.29 175.35 3dho s PHE 19 N 0.06 3.10 0.20 9.60 2.99 -0.21 -0.67 117.98 133.06 3dho s PHE 19 Ca -0.00 1.18 -0.04 0.00 0.00 0.00 0.00 56.93 58.06 3dho s PHE 19 Cb -0.04 -3.43 0.15 0.00 0.00 0.00 0.00 43.02 39.69 3dho s PHE 19 CO -0.00 -1.35 1.57 0.82 -0.00 0.00 0.00 175.22 176.25 3dho h ILE 20 N 5.18 1.29 0.25 0.64 2.04 -1.50 -2.94 117.51 122.48 3dho h ILE 20 Ca -0.31 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.00 3dho h ILE 20 Cb 1.14 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 3dho h ILE 20 CO 0.91 0.50 -0.51 0.50 0.00 0.00 0.00 178.15 179.55 3dho h LYS 21 N 0.56 -0.80 0.00 2.37 3.64 -1.80 0.90 116.57 121.44 3dho h LYS 21 Ca 0.05 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3dho h LYS 21 Cb 0.91 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3dho h LYS 21 CO 0.08 -0.54 -0.13 -1.00 -2.27 0.00 0.00 179.45 175.59 3dho h PRO 22 N -0.83 0.00 -0.32 1.90 0.13 -1.79 -2.74 132.00 128.35 3dho h PRO 22 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 3dho h PRO 22 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3dho h PRO 22 CO -0.21 0.13 -0.28 0.82 -0.23 0.00 0.00 178.00 178.23 3dho h ILE 23 N 0.00 1.28 -0.47 -3.56 1.08 -1.15 -3.31 117.51 111.39 3dho h ILE 23 Ca -0.00 -1.38 -0.11 0.00 -0.39 0.00 0.00 64.86 62.97 3dho h ILE 23 Cb 0.38 1.33 -0.07 0.00 -3.07 0.00 0.00 36.82 35.40 3dho h ILE 23 CO 0.02 0.45 0.08 0.18 -0.69 0.00 0.00 178.15 178.19 3dho n LEU 24 N -4.09 4.82 -0.24 1.44 4.77 0.23 -4.67 117.00 119.27 3dho n LEU 24 Ca -0.00 -3.24 -0.00 0.00 -0.03 0.00 0.00 56.01 52.74 3dho n LEU 24 Cb 0.45 -0.64 0.21 0.00 -2.33 0.00 0.00 43.42 41.11 3dho n LEU 24 CO 0.44 0.83 1.23 -0.33 -1.33 0.00 0.00 177.39 178.23 3dho h GLU 25 N 2.06 1.04 -0.99 3.23 5.08 -1.62 -3.00 114.58 120.39 3dho h GLU 25 Ca 0.14 -0.08 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 3dho h GLU 25 Cb 1.84 -0.23 -0.10 0.00 0.50 0.00 0.00 28.75 30.76 3dho h GLU 25 CO 0.45 0.71 0.62 0.87 -1.00 0.00 0.00 179.01 180.66 3dho h LYS 26 N 1.07 0.75 -6.85 2.33 1.79 -1.89 -3.45 116.57 110.32 3dho h LYS 26 Ca 0.28 -0.05 -0.49 0.00 -2.18 0.00 0.00 60.65 58.22 3dho h LYS 26 Cb -0.09 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.40 3dho h LYS 26 CO -0.06 0.50 0.40 -0.51 -1.08 0.00 0.00 179.45 178.70 3dho s LEU 27 N -10.17 4.43 0.39 2.94 1.43 -1.14 -5.07 118.68 111.50 3dho s LEU 27 Ca -0.11 2.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.97 3dho s LEU 27 Cb 0.24 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 3dho s LEU 27 CO 0.80 -0.14 0.69 -1.61 0.23 0.00 0.00 176.35 176.32 3dho s GLU 28 N -1.77 3.64 -1.49 1.70 2.02 -1.26 -4.33 118.70 117.21 3dho s GLU 28 Ca 0.48 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.65 3dho s GLU 28 Cb -0.25 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3dho s GLU 28 CO 0.32 0.01 0.00 0.09 0.02 0.00 0.00 175.26 175.70 3dho n ASN 29 N -1.51 -5.08 -3.92 -0.19 3.02 -1.26 -4.95 115.26 101.37 3dho n ASN 29 Ca -0.00 0.08 -0.24 0.00 -0.03 0.00 0.00 54.58 54.39 3dho n ASN 29 Cb 0.54 -4.26 -0.17 0.00 -0.61 0.00 0.00 39.78 35.29 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 -2.86 0.86 -0.10 2.41 1.01 -1.26 -1.19 120.40 119.27 3dho s VAL 30 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3dho s VAL 30 Cb 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3dho s VAL 30 CO 0.00 0.32 -0.17 -0.70 0.00 0.00 0.00 175.10 174.55 3dho s GLU 31 N 1.24 2.35 -0.07 2.72 2.56 0.16 -5.00 118.70 122.66 3dho s GLU 31 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 54.97 54.32 3dho s GLU 31 Cb -0.14 -1.92 0.02 0.00 2.00 0.00 0.00 34.13 34.09 3dho s GLU 31 CO -0.02 0.01 -0.11 0.08 -0.56 0.00 0.00 175.26 174.66 3dho s VAL 32 N 0.78 1.05 0.61 3.70 1.01 -1.26 -0.64 120.40 125.65 3dho s VAL 32 Ca -0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3dho s VAL 32 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3dho s VAL 32 CO 0.02 0.34 1.10 -0.83 0.00 0.00 0.00 175.10 175.73 3dho s GLY 33 N 0.87 2.27 0.59 4.51 0.00 0.70 -4.71 107.32 111.56 3dho s GLY 33 Ca -0.11 0.57 -0.20 0.00 0.00 0.00 0.00 44.72 44.99 3dho s GLY 33 CO 0.01 0.91 1.29 -0.54 0.00 0.00 0.00 173.10 174.77 3dho s GLU 34 N -3.87 2.90 0.00 2.90 8.01 -1.26 -3.40 118.70 123.97 3dho s GLU 34 Ca 0.67 2.05 0.00 0.00 0.01 0.00 0.00 54.97 57.70 3dho s GLU 34 Cb -0.20 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 3dho s GLU 34 CO 0.36 -1.32 0.00 0.66 0.01 0.00 0.00 175.26 174.97 3dho n TYR 35 N -1.49 0.00 -1.82 1.61 4.02 -1.26 -2.11 117.16 116.11 3dho n TYR 35 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.60 3dho n TYR 35 Cb 0.47 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 39.64 3dho n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3dho s SER 36 N -2.04 6.46 0.14 7.72 0.01 -1.22 -4.51 113.70 120.25 3dho s SER 36 Ca 0.00 2.80 0.06 0.00 1.31 0.00 0.00 55.95 60.12 3dho s SER 36 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3dho s SER 36 CO 0.00 -0.90 -0.14 -0.72 0.41 0.00 0.00 173.24 171.90 3dho s TYR 37 N 0.80 1.45 -0.06 2.43 -0.85 -0.42 -1.22 117.35 119.48 3dho s TYR 37 Ca 0.70 -0.59 0.05 0.00 -0.52 0.00 0.00 57.07 56.71 3dho s TYR 37 Cb -0.47 -0.74 -0.02 0.00 0.38 0.00 0.00 41.96 41.12 3dho s TYR 37 CO 0.36 0.18 -0.22 -0.47 -1.52 0.00 0.00 175.55 173.88 3dho s TYR 38 N -2.46 2.50 -0.55 -3.49 5.04 0.15 -1.21 117.35 117.33 3dho s TYR 38 Ca 0.13 -0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 54.07 3dho s TYR 38 Cb -0.03 -1.61 0.14 0.00 0.35 0.00 0.00 41.96 40.81 3dho s TYR 38 CO 0.03 -0.10 0.48 0.34 -1.34 0.00 0.00 175.55 174.96 3dho s ASP 39 N -0.32 6.08 0.50 4.32 2.15 -0.55 -1.27 116.67 127.58 3dho s ASP 39 Ca 0.01 -1.96 -0.23 0.00 0.43 0.00 0.00 52.55 50.80 3dho s ASP 39 Cb -0.13 -2.14 -0.07 0.00 -0.30 0.00 0.00 42.92 40.28 3dho s ASP 39 CO 0.02 -0.76 1.34 -0.24 -0.17 0.00 0.00 175.17 175.36 3dho n SER 40 N 4.95 2.74 -0.05 -0.34 2.88 -0.59 -2.34 113.62 120.86 3dho n SER 40 Ca -0.08 1.04 -0.02 0.00 -1.33 0.00 0.00 58.87 58.48 3dho n SER 40 Cb 0.41 -1.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.30 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 1.76 0.00 0.00 -1.46 3.64 -1.90 -3.42 116.57 115.19 3dho h LYS 41 Ca -0.50 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dho h LYS 41 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3dho h LYS 41 CO 0.58 0.07 -0.05 0.09 -2.27 0.00 0.00 179.45 177.88 3dho n ASN 42 N -4.74 2.13 0.00 4.20 3.02 -1.26 -4.95 115.26 113.65 3dho n ASN 42 Ca -0.02 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 3dho n ASN 42 Cb 0.07 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.30 0.24 3.70 7.41 0.00 -1.26 -5.08 105.19 108.90 3dho n GLY 43 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3dho n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dho n GLU 44 N -2.00 0.76 -3.63 1.61 0.00 -1.26 -5.02 120.64 111.10 3dho n GLU 44 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 57.16 57.19 3dho n GLU 44 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 31.44 28.94 3dho n GLU 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3dho s THR 45 N -1.66 5.16 0.51 3.84 -4.23 -1.26 -4.73 115.64 113.27 3dho s THR 45 Ca 0.79 -0.15 0.37 0.00 -1.18 0.00 0.00 61.69 61.51 3dho s THR 45 Cb -0.35 -3.69 0.39 0.00 1.34 0.00 0.00 72.50 70.19 3dho s THR 45 CO 0.45 -0.12 2.23 0.15 -0.54 0.00 0.00 174.62 176.79 3dho h PHE 46 N 2.25 0.00 -0.13 3.99 3.57 -1.95 -1.61 116.94 123.06 3dho h PHE 46 Ca -0.47 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.07 3dho h PHE 46 Cb 1.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3dho h PHE 46 CO 0.58 0.03 0.10 0.38 -2.23 0.00 0.00 178.31 177.17 3dho h ASP 47 N 0.00 0.00 0.62 0.41 3.04 -1.94 0.56 116.42 119.11 3dho h ASP 47 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3dho h ASP 47 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 3dho h ASP 47 CO 0.00 0.00 0.00 0.11 -2.04 0.00 0.00 179.24 177.31 3dho h LYS 48 N 0.00 0.00 -0.00 4.15 1.79 -1.69 -3.00 116.57 117.81 3dho h LYS 48 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3dho h LYS 48 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3dho h LYS 48 CO -0.00 0.00 -0.68 1.04 -1.08 0.00 0.00 179.45 178.73 3dho n GLN 49 N -2.34 0.33 -3.53 3.15 1.13 0.19 -4.80 117.38 111.51 3dho n GLN 49 Ca 0.01 -0.25 -0.41 0.00 -1.94 0.00 0.00 57.00 54.42 3dho n GLN 49 Cb 0.20 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.95 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 -2.84 5.14 0.03 5.09 1.01 -1.13 -1.05 121.20 127.44 3dho s ILE 50 Ca 0.13 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.42 3dho s ILE 50 Cb 0.17 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3dho s ILE 50 CO 0.73 -0.10 -0.15 -0.76 0.00 0.00 0.00 174.94 174.65 3dho s LEU 51 N 1.68 2.75 -1.45 2.97 1.43 -0.10 -4.68 118.68 121.28 3dho s LEU 51 Ca 0.05 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 3dho s LEU 51 Cb -0.18 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.49 3dho s LEU 51 CO 0.10 0.26 1.03 -1.22 0.23 0.00 0.00 176.35 176.75 3dho n TYR 52 N 1.57 -2.53 -3.38 0.29 4.02 -1.26 -0.92 117.16 114.95 3dho n TYR 52 Ca -0.16 0.91 -0.45 0.00 -0.01 0.00 0.00 57.90 58.19 3dho n TYR 52 Cb 0.52 -4.46 -0.07 0.00 -0.02 0.00 0.00 39.34 35.31 3dho n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3dho s HIS 53 N -3.28 3.25 -0.20 -0.72 2.46 -1.26 -0.63 115.29 114.91 3dho s HIS 53 Ca 0.60 -1.05 -0.02 0.00 0.47 0.00 0.00 55.06 55.06 3dho s HIS 53 Cb -0.28 -3.31 -0.00 0.00 -0.13 0.00 0.00 32.58 28.85 3dho s HIS 53 CO 0.74 -0.85 -0.09 0.71 -2.47 0.00 0.00 174.74 172.77 3dho s TYR 54 N 1.62 2.89 0.43 3.88 2.02 -1.26 -5.02 117.35 121.92 3dho s TYR 54 Ca 0.04 -1.10 0.20 0.00 -0.37 0.00 0.00 57.07 55.84 3dho s TYR 54 Cb -0.26 -2.03 1.16 0.00 -0.40 0.00 0.00 41.96 40.43 3dho s TYR 54 CO 0.06 -0.58 1.83 -1.35 -1.57 0.00 0.00 175.55 173.93 3dho h PRO 55 N 7.92 0.33 -0.65 -1.71 0.11 -1.93 -1.63 132.00 134.44 3dho h PRO 55 Ca -0.41 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.75 3dho h PRO 55 Cb 1.16 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3dho h PRO 55 CO 0.61 0.22 0.43 0.97 -0.21 0.00 0.00 178.00 180.02 3dho h ILE 56 N 0.34 0.99 0.00 4.15 6.09 -1.98 -0.20 117.51 126.89 3dho h ILE 56 Ca 0.51 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 3dho h ILE 56 Cb 1.40 0.31 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3dho h ILE 56 CO -0.19 0.11 0.00 0.18 -3.07 0.00 0.00 178.15 175.19 3dho n LEU 57 N -4.48 0.72 -1.27 2.19 4.77 -0.61 -4.90 117.00 113.42 3dho n LEU 57 Ca 0.10 0.62 -0.17 0.00 -0.03 0.00 0.00 56.01 56.52 3dho n LEU 57 Cb 0.25 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 3dho n LEU 57 CO 0.34 -0.35 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.69 3dho n ASN 58 N -2.23 -5.19 -4.79 -1.43 5.15 -0.09 -4.98 115.26 101.70 3dho n ASN 58 Ca 0.04 0.41 -0.37 0.00 -0.60 0.00 0.00 54.58 54.06 3dho n ASN 58 Cb 0.33 -4.15 -0.06 0.00 -0.53 0.00 0.00 39.78 35.37 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 -2.75 7.26 -0.01 1.20 -4.77 -1.26 -5.03 116.67 111.31 3dho s ASP 59 Ca 0.00 1.68 0.03 0.00 -3.30 0.00 0.00 52.55 50.95 3dho s ASP 59 Cb 0.00 -2.52 -0.03 0.00 -1.09 0.00 0.00 42.92 39.28 3dho s ASP 59 CO 0.00 0.01 -0.06 -0.54 0.70 0.00 0.00 175.17 175.27 3dho s LYS 60 N -1.90 2.59 -0.17 2.11 3.01 -1.26 -4.91 119.74 119.22 3dho s LYS 60 Ca 0.46 -0.69 -0.03 0.00 -1.01 0.00 0.00 55.97 54.70 3dho s LYS 60 Cb -0.19 -2.53 -0.02 0.00 -1.01 0.00 0.00 37.83 34.09 3dho s LYS 60 CO 0.23 0.61 -0.05 -1.17 0.51 0.00 0.00 175.35 175.48 3dho s LEU 61 N -1.36 3.05 -0.05 3.17 2.96 -0.33 -1.17 118.68 124.94 3dho s LEU 61 Ca 0.17 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3dho s LEU 61 Cb -0.11 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3dho s LEU 61 CO 0.07 0.11 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.33 3dho s LYS 62 N 0.71 1.62 -0.05 1.98 2.20 -0.28 -0.66 119.74 125.25 3dho s LYS 62 Ca -0.03 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.18 3dho s LYS 62 Cb -0.15 -1.37 -0.00 0.00 -1.51 0.00 0.00 37.83 34.80 3dho s LYS 62 CO 0.02 0.09 -0.18 0.42 -0.36 0.00 0.00 175.35 175.34 3dho s ILE 63 N 0.45 1.55 0.00 5.43 1.01 0.19 -0.29 121.20 129.53 3dho s ILE 63 Ca -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3dho s ILE 63 Cb -0.14 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3dho s ILE 63 CO 0.03 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3dho n GLY 64 N 3.22 -1.32 3.93 6.18 0.00 -0.13 -0.21 105.19 116.87 3dho n GLY 64 Ca -0.19 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.27 3.51 -1.62 1.61 1.02 -1.26 -2.66 119.74 119.07 3dho s LYS 65 Ca 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.71 3dho s LYS 65 Cb 0.00 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3dho s LYS 65 CO 0.00 0.15 0.31 1.19 -0.92 0.00 0.00 175.35 176.08 3dho n PHE 66 N -1.62 -1.52 -3.23 3.18 3.72 -0.90 -0.45 117.46 116.64 3dho n PHE 66 Ca -0.04 0.27 -0.34 0.00 -0.05 0.00 0.00 57.45 57.29 3dho n PHE 66 Cb 0.56 -4.12 -0.06 0.00 -0.94 0.00 0.00 39.48 34.92 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 -2.06 4.61 -0.26 0.00 0.01 -0.19 -1.30 113.70 114.52 3dho s SER 68 Ca 0.47 -1.22 -0.05 0.00 1.31 0.00 0.00 55.95 56.46 3dho s SER 68 Cb -0.13 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.46 3dho s SER 68 CO 0.19 -0.21 0.02 -0.63 0.41 0.00 0.00 173.24 173.02 3dho s ILE 69 N 1.22 3.64 0.83 1.44 1.01 -0.35 -0.62 121.20 128.38 3dho s ILE 69 Ca -0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 3dho s ILE 69 Cb -0.19 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.57 3dho s ILE 69 CO -0.03 0.22 1.09 -0.83 0.00 0.00 0.00 174.94 175.39 3dho s GLY 70 N 1.47 1.62 0.33 6.18 0.00 0.37 -1.48 107.32 115.82 3dho s GLY 70 Ca 0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 3dho s GLY 70 CO -0.00 0.31 1.46 -1.55 0.00 0.00 0.00 173.10 173.31 3dho n PRO 71 N -3.59 2.46 -0.55 2.90 -0.04 -0.99 -2.85 135.00 132.34 3dho n PRO 71 Ca 0.07 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 3dho n PRO 71 Cb 0.56 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 3dho n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dho n GLY 72 N 1.23 1.57 3.72 0.55 0.00 -1.26 -0.50 105.19 110.50 3dho n GLY 72 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 1.38 -4.75 1.61 0.31 -1.13 -4.28 118.33 109.47 3dho n VAL 73 Ca 0.00 -0.35 -0.28 0.00 -0.01 0.00 0.00 64.34 63.71 3dho n VAL 73 Cb 0.00 -1.75 -0.14 0.00 -0.91 0.00 0.00 33.84 31.04 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 -0.45 1.90 -0.21 2.52 -4.23 -0.50 -4.79 115.64 109.87 3dho s THR 74 Ca 0.61 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 3dho s THR 74 Cb -0.55 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 71.67 3dho s THR 74 CO 0.54 0.27 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.14 3dho s ILE 75 N -0.82 2.54 -0.40 2.99 1.01 -0.22 -1.10 121.20 125.21 3dho s ILE 75 Ca 0.10 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 3dho s ILE 75 Cb -0.09 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.21 3dho s ILE 75 CO 0.02 0.38 0.30 -0.63 0.00 0.00 0.00 174.94 175.01 3dho s ILE 76 N 1.32 5.25 0.26 2.92 -1.09 0.25 -0.93 121.20 129.19 3dho s ILE 76 Ca 0.03 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 57.83 3dho s ILE 76 Cb -0.15 -3.91 0.06 0.00 -1.58 0.00 0.00 42.46 36.88 3dho s ILE 76 CO -0.08 -0.28 0.36 0.23 -1.23 0.00 0.00 174.94 173.94 3dho n MET 77 N 5.19 -0.00 0.00 2.79 2.81 -0.10 -2.32 117.12 125.48 3dho n MET 77 Ca -0.11 -0.74 0.15 0.00 -1.81 0.00 0.00 57.70 55.19 3dho n MET 77 Cb 0.47 -0.31 0.82 0.00 -0.71 0.00 0.00 33.22 33.49 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 -3.12 0.37 0.00 7.83 3.02 -1.20 -4.03 115.26 118.13 3dho n ASN 78 Ca 0.05 -1.02 0.05 0.00 -0.03 0.00 0.00 54.58 53.63 3dho n ASN 78 Cb 0.18 -0.02 0.24 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.08 -0.86 0.68 7.41 0.00 0.20 -2.33 105.19 111.37 3dho n GLY 79 Ca 0.22 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.48 2.43 -1.98 4.61 0.00 -1.26 -4.94 120.51 117.89 3dho n ALA 80 Ca 0.03 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 3dho n ALA 80 Cb 0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.24 6.65 0.50 0.00 0.01 -0.98 -5.02 114.94 114.86 3dho s ASN 81 Ca 0.21 2.31 -0.13 0.00 -0.71 0.00 0.00 52.86 54.55 3dho s ASN 81 Cb 0.14 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.19 3dho s ASN 81 CO 0.20 -0.91 0.91 -1.00 -1.51 0.00 0.00 177.10 174.79 3dho s HIS 82 N 3.66 3.50 0.27 2.20 3.76 -1.26 -5.04 115.29 122.38 3dho s HIS 82 Ca 0.74 1.24 -0.29 0.00 -0.15 0.00 0.00 55.06 56.60 3dho s HIS 82 Cb -0.35 -2.63 -0.10 0.00 1.11 0.00 0.00 32.58 30.62 3dho s HIS 82 CO 0.31 -0.34 1.26 0.50 -0.85 0.00 0.00 174.74 175.61 3dho s ARG 83 N -4.28 4.44 0.00 1.40 3.52 -1.26 -4.95 118.95 117.82 3dho s ARG 83 Ca 0.55 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 3dho s ARG 83 Cb -0.10 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3dho s ARG 83 CO 0.37 -0.11 0.95 0.00 -0.81 0.00 0.00 175.30 175.70 3dho n MET 84 N 1.53 0.00 0.13 5.12 0.00 -1.26 -3.84 117.12 118.80 3dho n MET 84 Ca 0.02 -0.90 0.12 0.00 0.00 0.00 0.00 57.70 56.94 3dho n MET 84 Cb 0.43 -0.45 0.49 0.00 0.00 0.00 0.00 33.22 33.69 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 0.00 0.73 0.00 3.17 5.75 -1.26 -4.85 116.55 120.09 3dho n ASP 85 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 3dho n ASP 85 Cb 0.68 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.17 4.28 3.76 6.12 0.00 -1.26 -5.12 105.19 113.14 3dho n GLY 86 Ca 0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 1.36 6.74 0.00 1.61 0.15 -1.26 -4.91 113.70 117.39 3dho s SER 87 Ca 0.00 2.68 0.30 0.00 0.70 0.00 0.00 55.95 59.63 3dho s SER 87 Cb 0.00 -2.64 1.54 0.00 -1.71 0.00 0.00 66.02 63.21 3dho s SER 87 CO 0.00 -0.58 2.04 0.35 1.20 0.00 0.00 173.24 176.25 3dho n THR 88 N 1.22 0.00 -2.18 6.45 -2.24 -1.25 -4.62 114.28 111.65 3dho n THR 88 Ca 0.02 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 3dho n THR 88 Cb 0.41 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.30 2.70 -1.41 4.78 6.14 -1.26 -4.72 117.35 121.29 3dho s TYR 89 Ca 0.36 0.71 -0.10 0.00 0.64 0.00 0.00 57.07 58.68 3dho s TYR 89 Cb 0.21 -3.71 0.07 0.00 0.42 0.00 0.00 41.96 38.95 3dho s TYR 89 CO 0.42 -2.70 2.26 -0.35 0.64 0.00 0.00 175.55 175.83 3dho n PRO 90 N 5.70 3.54 -0.35 4.97 -0.04 -1.26 -4.78 135.00 142.78 3dho n PRO 90 Ca 0.14 -2.98 0.09 0.00 -0.04 0.00 0.00 63.50 60.71 3dho n PRO 90 Cb 0.43 -2.98 0.20 0.00 -0.04 0.00 0.00 33.50 31.12 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 5.52 -0.31 -0.26 0.54 -1.00 -1.90 -0.94 116.94 118.57 3dho h PHE 91 Ca 0.58 0.08 0.07 0.00 2.81 0.00 0.00 57.97 61.51 3dho h PHE 91 Cb 0.52 0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.36 3dho h PHE 91 CO 1.48 -0.42 0.19 -2.95 -1.61 0.00 0.00 178.31 175.00 3dho h ASN 92 N 0.01 0.05 -0.88 2.17 -1.07 -1.78 -1.96 115.58 112.11 3dho h ASN 92 Ca 0.52 0.00 0.23 0.00 0.07 0.00 0.00 56.30 57.13 3dho h ASN 92 Cb 0.93 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 37.12 3dho h ASN 92 CO -0.97 0.03 0.61 0.25 0.07 0.00 0.00 177.43 177.43 3dho h LEU 93 N 0.05 0.16 -0.29 6.14 5.85 -1.47 -2.88 115.31 122.88 3dho h LEU 93 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3dho h LEU 93 Cb 0.42 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3dho h LEU 93 CO -0.01 0.06 -0.40 0.49 -0.34 0.00 0.00 178.44 178.24 3dho n PHE 94 N -4.38 0.00 -4.19 1.25 3.01 -0.73 -5.03 117.46 107.39 3dho n PHE 94 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 3dho n PHE 94 Cb 0.84 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 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 1.42 2.39 2.57 1.37 0.00 -1.08 -4.87 105.19 106.98 3dho n GLY 95 Ca 0.09 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.22 -4.92 0.00 1.61 3.02 -1.26 -0.77 115.26 112.73 3dho n ASN 96 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3dho n ASN 96 Cb 0.00 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 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 -1.00 2.14 0.00 7.41 0.00 -1.26 -4.93 105.19 107.55 3dho n GLY 97 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.24 0.00 0.32 1.61 8.01 0.05 -3.83 117.44 123.36 3dho n TRP 98 Ca 0.00 0.00 0.20 0.00 -1.31 0.00 0.00 57.50 56.39 3dho n TRP 98 Cb 0.00 -0.39 1.09 0.00 -2.01 0.00 0.00 31.31 30.00 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 -1.73 -1.85 114.58 119.11 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 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3dho h GLU 99 CO 0.00 0.00 0.00 0.36 0.05 0.00 0.00 179.01 179.42 3dho n LYS 100 N -3.23 0.18 -0.78 1.06 2.85 -1.25 -3.31 118.16 113.68 3dho n LYS 100 Ca -0.02 0.36 -0.15 0.00 -1.05 0.00 0.00 58.31 57.44 3dho n LYS 100 Cb 0.14 -1.81 0.09 0.00 -0.65 0.00 0.00 35.03 32.79 3dho n LYS 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3dho n HIS 101 N -2.14 1.80 -2.24 5.58 8.25 -0.69 -4.96 115.22 120.82 3dho n HIS 101 Ca 0.03 -1.51 -0.41 0.00 -0.26 0.00 0.00 57.72 55.57 3dho n HIS 101 Cb 0.25 -0.76 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 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 -1.98 4.45 0.45 -0.41 0.23 -1.21 -4.47 119.30 116.36 3dho s MET 102 Ca 0.34 2.07 -0.22 0.00 -1.03 0.00 0.00 55.69 56.85 3dho s MET 102 Cb 0.28 -3.11 -0.08 0.00 -1.53 0.00 0.00 34.83 30.39 3dho s MET 102 CO 0.05 -0.05 1.08 -1.25 -2.03 0.00 0.00 175.02 172.82 3dho s PRO 103 N -1.62 3.89 0.51 3.16 0.04 -1.26 -5.03 135.00 134.69 3dho s PRO 103 Ca 0.48 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 3dho s PRO 103 Cb -0.37 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 3dho s PRO 103 CO 0.48 -0.39 1.08 0.15 0.04 0.00 0.00 177.00 178.37 3dho s LYS 104 N -2.80 3.59 0.30 4.56 1.02 -1.26 -4.95 119.74 120.20 3dho s LYS 104 Ca 0.63 1.47 0.06 0.00 0.02 0.00 0.00 55.97 58.15 3dho s LYS 104 Cb -0.22 -2.05 0.79 0.00 -0.52 0.00 0.00 37.83 35.82 3dho s LYS 104 CO 0.27 -0.62 1.70 -0.07 -0.92 0.00 0.00 175.35 175.71 3dho h LEU 105 N 1.38 0.42 0.00 3.17 3.38 -1.96 0.83 115.31 122.54 3dho h LEU 105 Ca -0.50 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3dho h LEU 105 Cb 1.24 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3dho h LEU 105 CO 0.58 0.01 0.00 -0.90 0.09 0.00 0.00 178.44 178.22 3dho n ASP 106 N -5.01 0.00 -0.62 -0.43 3.85 -1.26 -1.72 116.55 111.36 3dho n ASP 106 Ca 0.24 -0.47 0.11 0.00 -0.71 0.00 0.00 54.79 53.96 3dho n ASP 106 Cb 0.70 -0.09 0.03 0.00 -1.35 0.00 0.00 41.12 40.40 3dho n ASP 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3dho n GLN 107 N -1.09 1.57 -3.07 0.11 6.02 0.28 -4.37 117.38 116.83 3dho n GLN 107 Ca 0.14 -1.26 -0.27 0.00 -0.01 0.00 0.00 57.00 55.61 3dho n GLN 107 Cb 0.10 -1.44 -0.05 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 0.39 4.19 -4.76 1.08 4.77 -0.70 -4.53 117.00 117.43 3dho n LEU 108 Ca 0.10 -5.60 -0.41 0.00 -0.03 0.00 0.00 56.01 50.07 3dho n LEU 108 Cb 0.49 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3dho n LEU 108 CO 0.23 2.28 1.18 -2.16 -1.33 0.00 0.00 177.39 177.60 3dho s PRO 109 N -3.19 4.14 0.43 3.23 0.04 -1.26 -4.93 135.00 133.46 3dho s PRO 109 Ca 0.46 2.54 -0.23 0.00 0.04 0.00 0.00 61.00 63.82 3dho s PRO 109 Cb 0.25 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 3dho s PRO 109 CO -0.11 -0.56 1.06 0.42 0.04 0.00 0.00 177.00 177.85 3dho s ILE 110 N -0.46 3.66 -0.72 0.56 -1.09 -1.26 -4.94 121.20 116.96 3dho s ILE 110 Ca 0.58 1.19 0.25 0.00 -2.23 0.00 0.00 60.65 60.45 3dho s ILE 110 Cb -0.47 -3.58 0.26 0.00 -1.58 0.00 0.00 42.46 37.09 3dho s ILE 110 CO 0.53 -0.07 1.76 0.29 -1.23 0.00 0.00 174.94 176.22 3dho n LYS 111 N -0.40 0.19 0.00 2.79 5.02 -1.26 -5.03 118.16 119.47 3dho n LYS 111 Ca 0.07 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3dho n LYS 111 Cb 0.50 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.85 0.74 3.85 0.72 0.00 -1.26 -4.51 105.19 105.58 3dho n GLY 112 Ca 0.05 -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 -1.12 6.16 -0.25 1.61 1.01 -1.26 -3.72 116.67 119.10 3dho s ASP 113 Ca 0.00 1.51 -0.08 0.00 0.71 0.00 0.00 52.55 54.69 3dho s ASP 113 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3dho s ASP 113 CO 0.00 -0.91 0.09 -0.89 0.21 0.00 0.00 175.17 173.67 3dho s THR 114 N -2.99 4.51 -0.25 -1.27 2.01 -0.32 -3.76 115.64 113.58 3dho s THR 114 Ca 0.57 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3dho s THR 114 Cb -0.11 -3.12 0.07 0.00 0.01 0.00 0.00 72.50 69.35 3dho s THR 114 CO 0.48 0.33 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.09 3dho s ILE 115 N 1.61 1.41 -0.19 1.82 1.01 -0.45 -1.13 121.20 125.28 3dho s ILE 115 Ca 0.06 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 3dho s ILE 115 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3dho s ILE 115 CO 0.05 -0.22 0.10 -0.63 0.00 0.00 0.00 174.94 174.23 3dho s ILE 116 N 1.43 5.11 0.00 2.92 1.01 0.60 -0.75 121.20 131.51 3dho s ILE 116 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3dho s ILE 116 Cb -0.18 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3dho s ILE 116 CO -0.09 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3dho n GLY 117 N 3.42 -1.97 3.91 6.18 0.00 0.64 -0.95 105.19 116.43 3dho n GLY 117 Ca -0.16 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.42 6.42 -1.46 1.61 0.01 -1.26 -2.23 114.94 116.60 3dho s ASN 118 Ca 0.00 0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 52.52 3dho s ASN 118 Cb 0.00 -2.03 0.02 0.00 0.41 0.00 0.00 41.25 39.65 3dho s ASN 118 CO 0.00 0.05 0.89 -0.67 -1.51 0.00 0.00 177.10 175.85 3dho n ASP 119 N -0.14 -6.07 -4.76 -1.22 4.64 0.40 -0.92 116.55 108.48 3dho n ASP 119 Ca -0.04 -0.44 -0.36 0.00 -1.38 0.00 0.00 54.79 52.58 3dho n ASP 119 Cb 0.52 -4.84 -0.08 0.00 -1.04 0.00 0.00 41.12 35.68 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 -3.24 5.31 -0.27 5.18 1.01 -1.25 -3.24 120.40 123.89 3dho s VAL 120 Ca 0.46 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 3dho s VAL 120 Cb -0.21 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3dho s VAL 120 CO 0.57 0.50 0.09 0.86 0.00 0.00 0.00 175.10 177.12 3dho s TRP 121 N -0.11 3.11 -0.24 5.22 -0.00 -0.85 -1.02 118.94 125.05 3dho s TRP 121 Ca 0.10 -0.54 -0.05 0.00 -0.00 0.00 0.00 56.10 55.61 3dho s TRP 121 Cb -0.12 -2.27 -0.01 0.00 -0.00 0.00 0.00 33.47 31.08 3dho s TRP 121 CO 0.00 -0.41 -0.01 0.42 -0.00 0.00 0.00 176.95 176.95 3dho s ILE 122 N 1.60 3.56 0.96 5.86 1.01 0.21 -0.83 121.20 133.57 3dho s ILE 122 Ca 0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 3dho s ILE 122 Cb -0.16 -2.67 0.16 0.00 0.01 0.00 0.00 42.46 39.80 3dho s ILE 122 CO 0.04 0.35 1.10 -0.83 0.00 0.00 0.00 174.94 175.60 3dho s GLY 123 N 1.49 1.58 0.19 6.18 0.00 0.49 -0.47 107.32 116.78 3dho s GLY 123 Ca 0.05 -0.35 -0.32 0.00 0.00 0.00 0.00 44.72 44.10 3dho s GLY 123 CO -0.02 0.23 1.16 1.17 0.00 0.00 0.00 173.10 175.64 3dho n LYS 124 N -4.01 1.24 -1.48 2.90 4.81 -1.26 -2.93 118.16 117.42 3dho n LYS 124 Ca 0.06 0.44 -0.17 0.00 -0.87 0.00 0.00 58.31 57.77 3dho n LYS 124 Cb 0.57 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.62 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 1.93 -5.61 -4.77 3.14 10.43 0.34 -0.17 116.55 121.84 3dho n ASP 125 Ca 0.14 0.41 -0.39 0.00 2.57 0.00 0.00 54.79 57.52 3dho n ASP 125 Cb 0.26 -4.57 0.00 0.00 1.84 0.00 0.00 41.12 38.65 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 -2.41 2.44 -0.19 2.53 1.01 -1.15 -4.19 120.40 118.43 3dho s VAL 126 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 3dho s VAL 126 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3dho s VAL 126 CO 0.00 0.05 -0.01 -0.69 0.00 0.00 0.00 175.10 174.46 3dho s VAL 127 N -1.25 3.94 -0.37 2.92 1.01 -0.25 -1.41 120.40 124.99 3dho s VAL 127 Ca 0.59 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 3dho s VAL 127 Cb -0.40 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3dho s VAL 127 CO 0.51 0.44 0.24 -0.63 0.00 0.00 0.00 175.10 175.67 3dho s ILE 128 N 0.87 5.05 0.73 2.22 -1.09 -0.26 -0.94 121.20 127.79 3dho s ILE 128 Ca 0.01 -0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 3dho s ILE 128 Cb -0.14 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.05 3dho s ILE 128 CO 0.02 -0.15 1.09 -0.04 -1.23 0.00 0.00 174.94 174.63 3dho s MET 129 N 1.66 2.64 0.48 2.79 -1.94 -0.44 -0.58 119.30 123.91 3dho s MET 129 Ca 0.05 0.58 -0.23 0.00 -1.71 0.00 0.00 55.69 54.37 3dho s MET 129 Cb -0.18 -1.99 -0.08 0.00 2.01 0.00 0.00 34.83 34.59 3dho s MET 129 CO 0.09 -1.22 1.21 -2.30 -0.01 0.00 0.00 175.02 172.79 3dho n PRO 130 N -3.15 1.64 -0.82 2.03 -0.02 -0.98 -3.50 135.00 130.20 3dho n PRO 130 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3dho n PRO 130 Cb 0.56 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3dho n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dho n GLY 131 N 0.92 0.87 3.74 -1.23 0.00 -1.24 -4.83 105.19 103.41 3dho n GLY 131 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.42 3.98 -0.15 1.61 1.01 -1.23 -4.65 120.40 117.54 3dho s VAL 132 Ca 0.00 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.64 3dho s VAL 132 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3dho s VAL 132 CO 0.00 0.28 -0.04 -0.54 0.00 0.00 0.00 175.10 174.80 3dho s LYS 133 N -0.29 3.66 -0.19 2.72 -0.14 -1.26 -1.34 119.74 122.90 3dho s LYS 133 Ca 0.49 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.59 3dho s LYS 133 Cb -0.28 -2.90 0.03 0.00 -1.68 0.00 0.00 37.83 32.99 3dho s LYS 133 CO 0.34 0.24 -0.16 0.42 -0.76 0.00 0.00 175.35 175.42 3dho s ILE 134 N 0.36 1.97 0.89 2.17 1.01 0.07 -0.90 121.20 126.76 3dho s ILE 134 Ca -0.04 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 3dho s ILE 134 Cb -0.14 -1.88 0.13 0.00 0.01 0.00 0.00 42.46 40.58 3dho s ILE 134 CO 0.03 0.37 1.11 -0.83 0.00 0.00 0.00 174.94 175.63 3dho s GLY 135 N 1.29 1.66 0.40 6.18 0.00 0.35 -0.26 107.32 116.95 3dho s GLY 135 Ca 0.02 0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.82 3dho s GLY 135 CO -0.11 0.77 1.01 1.22 0.00 0.00 0.00 173.10 175.99 3dho n ASP 136 N -4.01 1.29 0.00 1.64 10.43 -1.26 -2.62 116.55 122.01 3dho n ASP 136 Ca 0.10 1.06 0.00 0.00 2.57 0.00 0.00 54.79 58.51 3dho n ASP 136 Cb 0.53 -1.35 0.00 0.00 1.84 0.00 0.00 41.12 42.14 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 1.18 0.61 3.74 0.44 0.00 -0.10 -0.40 105.19 110.66 3dho n GLY 137 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.78 2.24 -0.11 4.61 0.00 -1.08 -3.80 121.76 120.84 3dho s ALA 138 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3dho s ALA 138 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3dho s ALA 138 CO 0.00 -1.66 -0.20 0.42 0.00 0.00 0.00 175.76 174.32 3dho s ILE 139 N -2.21 1.83 -0.23 0.00 1.01 0.16 -2.01 121.20 119.75 3dho s ILE 139 Ca 0.70 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 3dho s ILE 139 Cb -0.24 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 3dho s ILE 139 CO 0.45 0.51 -0.03 -0.69 0.00 0.00 0.00 174.94 175.18 3dho s VAL 140 N 0.64 3.43 0.48 2.92 1.01 -0.01 -0.84 120.40 128.03 3dho s VAL 140 Ca -0.13 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 3dho s VAL 140 Cb -0.16 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 3dho s VAL 140 CO 0.03 0.36 1.42 0.00 0.00 0.00 0.00 175.10 176.92 3dho s ALA 141 N 1.47 3.13 0.41 5.51 0.00 -0.07 -0.38 121.76 131.83 3dho s ALA 141 Ca 0.05 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 53.23 3dho s ALA 141 Cb -0.15 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.26 3dho s ALA 141 CO -0.03 -1.27 0.66 0.00 0.00 0.00 0.00 175.76 175.12 3dho n ALA 142 N -0.43 -1.17 -0.96 0.00 0.00 -1.26 -2.22 120.51 114.46 3dho n ALA 142 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3dho n ALA 142 Cb 0.42 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.14 -4.17 -4.77 0.00 3.02 0.76 -4.83 115.26 106.41 3dho n ASN 143 Ca 0.11 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 3dho n ASN 143 Cb 0.39 -2.16 0.03 0.00 -0.61 0.00 0.00 39.78 37.42 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 -2.05 5.36 -0.28 6.41 0.01 -0.94 -4.73 113.70 117.48 3dho s SER 144 Ca 0.00 2.14 0.02 0.00 1.31 0.00 0.00 55.95 59.43 3dho s SER 144 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 3dho s SER 144 CO 0.00 -1.47 -0.05 -0.69 0.41 0.00 0.00 173.24 171.45 3dho s VAL 145 N -1.97 1.96 -0.39 3.43 1.01 0.13 -1.10 120.40 123.46 3dho s VAL 145 Ca 0.71 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 3dho s VAL 145 Cb -0.24 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3dho s VAL 145 CO 0.34 -0.22 0.41 -0.69 0.00 0.00 0.00 175.10 174.94 3dho s VAL 146 N 1.16 5.12 -0.04 2.92 1.01 -0.12 -0.32 120.40 130.13 3dho s VAL 146 Ca -0.02 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.83 3dho s VAL 146 Cb -0.19 -3.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 3dho s VAL 146 CO -0.07 -0.31 0.17 1.33 0.00 0.00 0.00 175.10 176.22 3dho n VAL 147 N 5.36 0.20 -4.56 2.92 0.24 -1.26 -1.32 118.33 119.90 3dho n VAL 147 Ca -0.08 -0.29 -0.26 0.00 -2.04 0.00 0.00 64.34 61.67 3dho n VAL 147 Cb 0.48 -0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.58 1.88 0.64 7.34 -2.85 -1.26 -4.80 119.74 118.11 3dho s LYS 148 Ca -0.04 -2.11 -0.15 0.00 -1.00 0.00 0.00 55.97 52.67 3dho s LYS 148 Cb 0.06 -1.12 -0.01 0.00 -2.06 0.00 0.00 37.83 34.69 3dho s LYS 148 CO 0.42 -0.25 1.09 -0.51 0.10 0.00 0.00 175.35 176.20 3dho s ASP 149 N -3.64 5.35 -0.10 0.03 1.01 -1.26 -4.75 116.67 113.31 3dho s ASP 149 Ca 0.28 1.90 0.03 0.00 0.71 0.00 0.00 52.55 55.47 3dho s ASP 149 Cb 0.06 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.46 3dho s ASP 149 CO 0.14 -1.47 -0.19 -0.63 0.21 0.00 0.00 175.17 173.23 3dho s ILE 150 N -2.45 1.68 0.76 0.77 1.01 -0.08 -4.95 121.20 117.94 3dho s ILE 150 Ca 0.65 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 3dho s ILE 150 Cb -0.18 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 40.85 3dho s ILE 150 CO 0.41 0.48 1.08 0.00 0.00 0.00 0.00 174.94 176.91 3dho s ALA 151 N 0.62 2.39 0.38 9.38 0.00 -1.26 -0.50 121.76 132.76 3dho s ALA 151 Ca -0.14 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 3dho s ALA 151 Cb -0.16 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 3dho s ALA 151 CO 0.04 -1.56 1.22 -2.30 0.00 0.00 0.00 175.76 173.16 3dho n PRO 152 N -3.34 1.89 -3.04 0.00 -0.02 -1.26 -3.04 135.00 126.19 3dho n PRO 152 Ca 0.07 0.67 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 3dho n PRO 152 Cb 0.55 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.02 -1.76 -4.02 6.00 4.02 0.46 -4.84 117.16 117.04 3dho n TYR 153 Ca 0.06 0.39 -0.33 0.00 -0.01 0.00 0.00 57.90 58.02 3dho n TYR 153 Cb 0.37 -3.55 -0.06 0.00 -0.02 0.00 0.00 39.34 36.08 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 -5.69 3.20 -0.04 -0.72 -1.94 -1.17 -0.71 119.30 112.22 3dho s MET 154 Ca 0.28 -0.44 -0.17 0.00 -1.71 0.00 0.00 55.69 53.65 3dho s MET 154 Cb -0.14 -2.94 -0.05 0.00 2.01 0.00 0.00 34.83 33.71 3dho s MET 154 CO 0.35 0.65 0.47 -0.51 -0.01 0.00 0.00 175.02 175.97 3dho s LEU 155 N -1.88 4.39 0.03 -0.03 1.43 0.21 -0.66 118.68 122.16 3dho s LEU 155 Ca 0.25 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3dho s LEU 155 Cb -0.12 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 3dho s LEU 155 CO 0.17 0.16 -0.04 0.00 0.23 0.00 0.00 176.35 176.86 3dho s ALA 156 N -0.26 0.25 0.13 4.21 0.00 -0.02 0.05 121.76 126.12 3dho s ALA 156 Ca 0.26 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 3dho s ALA 156 Cb -0.16 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.15 3dho s ALA 156 CO 0.13 -0.12 0.73 0.20 0.00 0.00 0.00 175.76 176.69 3dho s GLY 157 N -1.51 -0.47 0.00 0.00 0.00 -0.65 -0.89 107.32 103.80 3dho s GLY 157 Ca -0.14 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.07 3dho s GLY 157 CO -0.01 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.86 3dho n GLY 158 N -0.36 1.16 2.58 0.20 0.00 -1.26 -1.26 105.19 106.24 3dho n GLY 158 Ca -0.12 -2.18 -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 3.56 0.50 1.61 2.47 -1.26 -0.69 114.94 121.12 3dho s ASN 159 Ca 0.00 -1.31 -0.21 0.00 0.42 0.00 0.00 52.86 51.76 3dho s ASN 159 Cb 0.00 -0.43 -0.07 0.00 -1.45 0.00 0.00 41.25 39.30 3dho s ASN 159 CO 0.00 -0.43 1.11 -2.16 -3.72 0.00 0.00 177.10 171.90 3dho s PRO 160 N 2.02 3.62 0.33 0.43 0.04 -1.26 -4.99 135.00 135.19 3dho s PRO 160 Ca 0.09 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 3dho s PRO 160 Cb -0.16 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 3dho s PRO 160 CO -0.34 -0.63 1.35 0.00 0.04 0.00 0.00 177.00 177.42 3dho s ALA 161 N -1.75 3.52 0.11 8.56 0.00 0.57 -4.91 121.76 127.85 3dho s ALA 161 Ca 0.68 1.32 0.06 0.00 0.00 0.00 0.00 51.96 54.02 3dho s ALA 161 Cb -0.23 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3dho s ALA 161 CO 0.27 -0.72 -0.14 -0.80 0.00 0.00 0.00 175.76 174.37 3dho s ASN 162 N -0.37 1.89 0.17 0.00 -0.87 -0.39 -4.75 114.94 110.62 3dho s ASN 162 Ca 0.50 -0.76 -0.31 0.00 -1.57 0.00 0.00 52.86 50.72 3dho s ASN 162 Cb -0.41 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.25 40.67 3dho s ASN 162 CO 0.54 -0.13 1.49 -1.61 -2.57 0.00 0.00 177.10 174.82 3dho s GLU 163 N -2.45 4.25 -0.21 -0.60 2.02 -1.26 -1.63 118.70 118.82 3dho s GLU 163 Ca 0.06 2.28 -0.16 0.00 0.02 0.00 0.00 54.97 57.17 3dho s GLU 163 Cb -0.06 -3.17 -0.10 0.00 0.10 0.00 0.00 34.13 30.90 3dho s GLU 163 CO 0.03 -0.52 -0.19 -0.89 0.02 0.00 0.00 175.26 173.70 3dho n ILE 164 N 3.59 1.50 -3.53 -1.63 5.41 0.11 -4.94 119.36 119.87 3dho n ILE 164 Ca 0.12 -0.04 -0.10 0.00 1.00 0.00 0.00 62.75 63.72 3dho n ILE 164 Cb 0.40 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.15 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 -2.53 0.77 0.37 0.38 -2.85 -1.17 -5.01 119.74 109.69 3dho s LYS 165 Ca -0.29 -0.12 -0.26 0.00 -1.00 0.00 0.00 55.97 54.29 3dho s LYS 165 Cb 0.07 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 3dho s LYS 165 CO 0.44 -0.30 1.15 -0.65 0.10 0.00 0.00 175.35 176.09 3dho s GLN 166 N -2.35 4.23 0.19 1.78 -0.21 -1.26 -0.62 119.66 121.41 3dho s GLN 166 Ca 0.02 1.83 -0.00 0.00 0.02 0.00 0.00 55.36 57.22 3dho s GLN 166 Cb -0.01 -2.81 0.10 0.00 1.00 0.00 0.00 33.01 31.29 3dho s GLN 166 CO -0.04 -0.17 1.46 0.00 -2.12 0.00 0.00 175.29 174.42 3dho h ARG 167 N 2.95 0.37 -4.46 2.91 3.08 -1.26 -3.46 114.38 114.51 3dho h ARG 167 Ca -0.48 -0.29 -0.20 0.00 0.07 0.00 0.00 59.98 59.07 3dho h ARG 167 Cb 1.23 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.18 3dho h ARG 167 CO 0.64 0.93 -0.63 -0.06 -1.07 0.00 0.00 179.97 179.78 3dho s PHE 168 N -3.65 0.95 0.73 3.04 0.08 -1.26 -5.11 117.98 112.75 3dho s PHE 168 Ca -0.05 -1.27 -0.15 0.00 0.12 0.00 0.00 56.93 55.58 3dho s PHE 168 Cb 0.11 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 42.11 3dho s PHE 168 CO 0.83 -0.57 1.22 0.16 -0.10 0.00 0.00 175.22 176.77 3dho s ASP 169 N -3.08 4.13 0.36 1.36 1.47 -1.26 -4.77 116.67 114.88 3dho s ASP 169 Ca 0.29 2.40 0.05 0.00 1.18 0.00 0.00 52.55 56.47 3dho s ASP 169 Cb 0.07 -2.59 0.71 0.00 -0.34 0.00 0.00 42.92 40.77 3dho s ASP 169 CO 0.05 -2.31 1.99 -0.61 0.68 0.00 0.00 175.17 174.97 3dho h GLN 170 N -0.29 0.75 -0.14 2.11 5.75 -2.00 -1.51 115.11 119.78 3dho h GLN 170 Ca -0.48 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.95 3dho h GLN 170 Cb 1.30 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 3dho h GLN 170 CO 0.49 0.50 -0.02 0.22 -2.65 0.00 0.00 178.83 177.37 3dho h ASP 171 N 0.78 0.27 -0.38 -0.69 1.82 -1.99 0.10 116.42 116.34 3dho h ASP 171 Ca 0.26 -0.35 0.07 0.00 -0.39 0.00 0.00 57.03 56.63 3dho h ASP 171 Cb 0.08 -0.07 -0.07 0.00 0.68 0.00 0.00 39.33 39.95 3dho h ASP 171 CO -0.07 0.55 -0.06 0.74 -1.61 0.00 0.00 179.24 178.79 3dho h THR 172 N -0.02 0.66 -0.18 2.25 2.02 -1.80 0.01 112.91 115.85 3dho h THR 172 Ca 0.04 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.25 3dho h THR 172 Cb 0.43 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3dho h THR 172 CO 0.01 0.01 -0.14 0.40 0.37 0.00 0.00 175.52 176.17 3dho h ILE 173 N 0.04 0.60 -0.73 3.11 2.04 -1.12 -0.14 117.51 121.31 3dho h ILE 173 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 3dho h ILE 173 Cb 0.27 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3dho h ILE 173 CO -0.35 0.00 0.45 0.78 0.00 0.00 0.00 178.15 179.03 3dho h ASN 174 N -0.15 0.86 -0.38 1.72 2.35 -0.17 0.38 115.58 120.18 3dho h ASN 174 Ca 0.11 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3dho h ASN 174 Cb 0.31 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3dho h ASN 174 CO -0.27 0.65 -0.14 1.56 -1.65 0.00 0.00 177.43 177.57 3dho h GLN 175 N 1.00 0.77 -0.59 0.81 4.20 -0.60 -1.77 115.11 118.94 3dho h GLN 175 Ca 0.26 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.68 3dho h GLN 175 Cb -0.06 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 3dho h GLN 175 CO -0.05 0.94 0.35 -0.07 -0.67 0.00 0.00 178.83 179.33 3dho h LEU 176 N 0.58 0.56 -1.71 1.46 3.38 -0.41 -0.12 115.31 119.05 3dho h LEU 176 Ca 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3dho h LEU 176 Cb 0.68 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dho h LEU 176 CO 0.05 0.39 -0.16 -0.07 0.09 0.00 0.00 178.44 178.74 3dho h LEU 177 N 0.69 0.00 0.19 1.67 3.38 -0.76 -2.15 115.31 118.33 3dho h LEU 177 Ca 0.24 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.95 3dho h LEU 177 Cb 0.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.83 3dho h LEU 177 CO -0.11 0.16 -1.13 -0.78 0.09 0.00 0.00 178.44 176.67 3dho h ASP 178 N 0.00 0.66 -0.48 -0.43 3.58 -0.68 -3.38 116.42 115.69 3dho h ASP 178 Ca -0.00 -0.93 -0.13 0.00 0.42 0.00 0.00 57.03 56.39 3dho h ASP 178 Cb 0.43 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3dho h ASP 178 CO 0.02 1.54 -0.20 0.40 -2.88 0.00 0.00 179.24 178.13 3dho h ILE 179 N -0.11 1.27 -6.82 2.25 2.04 -0.79 -3.48 117.51 111.87 3dho h ILE 179 Ca -0.19 -1.36 -0.56 0.00 1.00 0.00 0.00 64.86 63.74 3dho h ILE 179 Cb 1.88 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3dho h ILE 179 CO 0.21 0.47 -1.01 0.29 0.00 0.00 0.00 178.15 178.12 3dho n LYS 180 N -4.12 -0.49 -0.07 2.37 5.02 -0.83 -4.83 118.16 115.22 3dho n LYS 180 Ca 0.00 0.19 0.16 0.00 -2.02 0.00 0.00 58.31 56.65 3dho n LYS 180 Cb 0.45 -2.74 0.58 0.00 -0.02 0.00 0.00 35.03 33.30 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 -2.33 0.27 0.00 2.13 5.08 -1.92 -1.44 115.95 117.73 3dho h TRP 181 Ca -0.70 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.28 3dho h TRP 181 Cb 1.40 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 27.47 3dho h TRP 181 CO 0.35 0.11 -0.02 0.11 -1.28 0.00 0.00 178.44 177.72 3dho h TRP 182 N 0.24 0.00 -0.00 0.12 0.09 -1.97 -1.72 115.95 112.71 3dho h TRP 182 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.27 3dho h TRP 182 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.05 3dho h TRP 182 CO -0.00 0.02 -0.19 0.09 0.09 0.00 0.00 178.44 178.45 3dho n ASN 183 N -3.53 0.24 -4.77 0.11 3.02 -0.54 -4.89 115.26 104.89 3dho n ASN 183 Ca -0.03 0.09 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 3dho n ASN 183 Cb 0.11 -0.18 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.93 2.78 0.53 3.10 0.51 -0.65 -4.99 118.94 117.29 3dho s TRP 184 Ca 0.15 1.53 -0.21 0.00 -2.12 0.00 0.00 56.10 55.45 3dho s TRP 184 Cb 0.19 -3.37 -0.07 0.00 -0.81 0.00 0.00 33.47 29.41 3dho s TRP 184 CO 0.58 -1.58 1.04 -2.30 -0.51 0.00 0.00 176.95 174.18 3dho n PRO 185 N -0.79 1.20 0.20 4.98 -0.02 -1.26 -4.72 135.00 134.59 3dho n PRO 185 Ca 0.09 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.07 3dho n PRO 185 Cb 0.49 -2.19 0.54 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.03 1.07 0.00 4.25 6.09 -1.95 -0.04 117.51 127.95 3dho h ILE 186 Ca -0.48 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 3dho h ILE 186 Cb 1.34 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.70 3dho h ILE 186 CO 0.54 0.09 0.00 -0.90 -3.07 0.00 0.00 178.15 174.81 3dho n ASP 187 N -4.44 0.45 -0.08 2.19 5.75 -1.26 -0.38 116.55 118.77 3dho n ASP 187 Ca -0.02 0.63 -0.23 0.00 -0.01 0.00 0.00 54.79 55.17 3dho n ASP 187 Cb 0.15 -0.72 -0.12 0.00 -1.03 0.00 0.00 41.12 39.40 3dho n ASP 187 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3dho n ILE 188 N -2.02 1.60 -0.31 2.12 5.41 -0.14 -4.33 119.36 121.69 3dho n ILE 188 Ca 0.02 -0.33 0.09 0.00 1.00 0.00 0.00 62.75 63.52 3dho n ILE 188 Cb 0.16 -1.85 0.25 0.00 -0.71 0.00 0.00 39.64 37.49 3dho n ILE 188 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3dho h ILE 189 N -0.58 0.71 -0.49 1.39 2.04 -0.98 -1.95 117.51 117.64 3dho h ILE 189 Ca -0.46 -0.22 0.14 0.00 1.00 0.00 0.00 64.86 65.31 3dho h ILE 189 Cb 1.64 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3dho h ILE 189 CO -0.15 0.12 0.35 -1.13 0.00 0.00 0.00 178.15 177.33 3dho h ASN 190 N 0.64 0.02 0.28 1.72 -1.24 -0.91 0.23 115.58 116.32 3dho h ASN 190 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.50 3dho h ASN 190 Cb 0.72 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.77 3dho h ASN 190 CO -0.38 0.01 -0.07 -0.62 -1.29 0.00 0.00 177.43 175.08 3dho n GLU 191 N -4.40 0.82 -0.07 6.67 -0.58 -0.73 -4.17 120.64 118.17 3dho n GLU 191 Ca 0.09 -0.25 0.01 0.00 -0.42 0.00 0.00 57.16 56.58 3dho n GLU 191 Cb 0.55 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.93 3dho n GLU 191 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dho n ASN 192 N -0.87 0.69 -0.18 1.62 3.02 0.75 -4.90 115.26 115.39 3dho n ASN 192 Ca 0.16 -1.54 -0.07 0.00 -0.03 0.00 0.00 54.58 53.11 3dho n ASN 192 Cb 0.25 -0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.40 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 2.53 1.13 -0.78 2.41 2.04 -1.61 -1.13 117.51 122.11 3dho h ILE 193 Ca 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 3dho h ILE 193 Cb 0.92 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3dho h ILE 193 CO 0.00 0.13 0.51 0.44 0.00 0.00 0.00 178.15 179.23 3dho h ASP 194 N 0.72 0.78 0.52 1.72 3.32 -1.91 0.12 116.42 121.70 3dho h ASP 194 Ca 0.20 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 3dho h ASP 194 Cb -0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3dho h ASP 194 CO -0.05 0.52 -0.86 0.11 -1.72 0.00 0.00 179.24 177.24 3dho h LYS 195 N 0.89 0.24 -0.59 3.56 1.57 -1.82 -1.93 116.57 118.50 3dho h LYS 195 Ca 0.32 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3dho h LYS 195 Cb 0.15 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3dho h LYS 195 CO -0.10 0.97 0.13 0.82 -0.57 0.00 0.00 179.45 180.69 3dho h ILE 196 N 0.14 1.24 0.00 1.86 2.04 -0.58 -1.08 117.51 121.13 3dho h ILE 196 Ca -0.05 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 3dho h ILE 196 Cb 1.48 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3dho h ILE 196 CO 0.14 0.33 -0.36 -0.07 0.00 0.00 0.00 178.15 178.19 3dho h LEU 197 N 0.88 0.00 -2.27 1.44 3.38 -0.55 -3.26 115.31 114.93 3dho h LEU 197 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3dho h LEU 197 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3dho h LEU 197 CO 0.00 0.36 0.00 -0.90 0.09 0.00 0.00 178.44 177.99 3dho n ASP 198 N -3.31 2.39 0.00 -0.43 5.68 -0.75 -4.99 116.55 115.14 3dho n ASP 198 Ca 0.01 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 3dho n ASP 198 Cb 0.59 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.45 0.00 0.00 -1.12 4.13 -0.49 -4.89 115.26 113.34 3dho n ASN 199 Ca 0.08 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.46 3dho n ASN 199 Cb 0.34 -0.69 0.72 0.00 -1.54 0.00 0.00 39.78 38.60 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 0.00 0.31 6.41 3.41 -0.72 -3.02 113.62 120.02 3dho n SER 200 Ca 0.00 -0.75 0.19 0.00 -0.26 0.00 0.00 58.87 58.05 3dho n SER 200 Cb 0.00 -0.01 1.04 0.00 -0.26 0.00 0.00 64.21 64.99 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 0.26 0.00 -1.33 3.07 -1.74 -2.04 117.51 115.72 3dho h ILE 201 Ca 0.00 -0.06 -0.08 0.00 1.55 0.00 0.00 64.86 66.26 3dho h ILE 201 Cb 0.01 1.05 -0.01 0.00 -0.27 0.00 0.00 36.82 37.59 3dho h ILE 201 CO 0.00 0.01 -0.40 0.16 -1.05 0.00 0.00 178.15 176.87 3dho h ILE 202 N 0.00 1.14 0.00 0.16 3.07 -1.84 -3.50 117.51 116.53 3dho h ILE 202 Ca -0.00 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 64.97 3dho h ILE 202 Cb 0.05 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3dho h ILE 202 CO 0.00 0.39 0.00 0.54 -1.05 0.00 0.00 178.15 178.03