#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 -1.35 3.85 -5.12 0.00 -1.26 -4.93 105.19 96.38 3dho n GLY 2 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 3dho n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dho s PRO 3 N -1.83 1.73 -0.05 1.61 0.04 -1.26 -4.99 135.00 130.25 3dho s PRO 3 Ca 0.00 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.98 3dho s PRO 3 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 3dho s PRO 3 CO 0.00 -1.78 1.49 1.21 0.04 0.00 0.00 177.00 177.96 3dho s ASN 4 N -4.32 6.78 0.23 6.66 3.84 -1.26 -4.89 114.94 121.98 3dho s ASN 4 Ca 0.62 2.11 0.19 0.00 0.21 0.00 0.00 52.86 55.99 3dho s ASN 4 Cb -0.13 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 38.93 3dho s ASN 4 CO 0.51 -0.82 1.58 -0.81 -2.79 0.00 0.00 177.10 174.77 3dho n PRO 5 N 6.32 0.13 0.00 0.43 -0.04 -1.26 -1.35 135.00 139.23 3dho n PRO 5 Ca 0.15 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 3dho n PRO 5 Cb 0.43 -1.83 0.50 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.08 1.28 -2.78 0.54 2.81 -1.26 -4.50 117.12 111.14 3dho n MET 6 Ca 0.01 -0.71 -0.42 0.00 -1.81 0.00 0.00 57.70 54.76 3dho n MET 6 Cb 0.12 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 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 -2.21 4.11 0.20 0.03 2.20 -0.45 -4.75 119.74 118.88 3dho s LYS 7 Ca 0.33 0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 56.83 3dho s LYS 7 Cb 0.20 -3.69 0.22 0.00 -1.51 0.00 0.00 37.83 33.05 3dho s LYS 7 CO 0.41 -0.70 1.80 0.52 -0.36 0.00 0.00 175.35 177.03 3dho h MET 8 N 7.85 0.62 -3.34 4.03 2.86 -1.87 -3.33 114.93 121.75 3dho h MET 8 Ca -0.22 -0.04 -0.64 0.00 -2.06 0.00 0.00 59.70 56.75 3dho h MET 8 Cb 1.08 -0.14 -0.41 0.00 0.06 0.00 0.00 31.60 32.19 3dho h MET 8 CO 0.95 0.41 -0.62 0.71 1.06 0.00 0.00 176.91 179.41 3dho s TYR 9 N -6.10 3.22 -0.02 -0.22 1.51 -1.26 -1.00 117.35 113.47 3dho s TYR 9 Ca -0.13 -3.19 0.25 0.00 -1.01 0.00 0.00 57.07 52.98 3dho s TYR 9 Cb 0.16 -2.80 0.78 0.00 -0.11 0.00 0.00 41.96 39.99 3dho s TYR 9 CO 0.75 -0.71 1.76 -1.00 -1.11 0.00 0.00 175.55 175.24 3dho h PRO 10 N 6.34 0.00 -4.80 -1.71 0.13 -1.74 -3.40 132.00 126.82 3dho h PRO 10 Ca -0.05 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.39 3dho h PRO 10 Cb 0.87 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.81 3dho h PRO 10 CO 0.69 0.18 -0.28 0.42 -0.23 0.00 0.00 178.00 178.78 3dho s ILE 11 N -3.47 5.15 0.31 -3.56 1.01 -1.26 -4.95 121.20 114.42 3dho s ILE 11 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 3dho s ILE 11 Cb 0.09 -3.96 0.26 0.00 0.01 0.00 0.00 42.46 38.86 3dho s ILE 11 CO 0.64 -0.32 1.98 -0.33 0.00 0.00 0.00 174.94 176.91 3dho h GLU 12 N 8.64 1.01 -1.84 2.79 4.39 -2.00 -1.29 114.58 126.28 3dho h GLU 12 Ca -0.27 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 3dho h GLU 12 Cb 1.12 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3dho h GLU 12 CO 0.75 0.67 0.07 0.41 -1.16 0.00 0.00 179.01 179.75 3dho n GLY 13 N -1.42 2.71 3.42 -3.84 0.00 -1.26 -4.82 105.19 99.99 3dho n GLY 13 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 1.63 -0.55 0.00 1.61 3.84 -0.49 -5.01 114.94 115.97 3dho s ASN 14 Ca 0.05 0.76 0.08 0.00 0.21 0.00 0.00 52.86 53.96 3dho s ASN 14 Cb 0.04 1.58 0.14 0.00 -0.55 0.00 0.00 41.25 42.46 3dho s ASN 14 CO 0.00 -0.11 0.96 0.29 -2.79 0.00 0.00 177.10 175.45 3dho n LYS 15 N 4.81 1.46 -0.01 0.43 4.76 -1.26 -4.56 118.16 123.79 3dho n LYS 15 Ca -0.10 -1.42 -0.19 0.00 -2.87 0.00 0.00 58.31 53.73 3dho n LYS 15 Cb 0.53 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 32.41 3dho n LYS 15 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3dho n SER 16 N 0.34 1.89 -4.68 4.39 7.64 -1.26 -4.86 113.62 117.08 3dho n SER 16 Ca 0.06 0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.75 3dho n SER 16 Cb 0.29 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.56 4.83 -0.05 0.44 1.01 -1.26 -1.43 120.40 121.38 3dho s VAL 17 Ca -0.20 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.64 3dho s VAL 17 Cb 0.07 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3dho s VAL 17 CO 0.77 0.01 -0.12 -1.10 0.00 0.00 0.00 175.10 174.66 3dho s GLN 18 N 2.10 1.43 -0.15 2.72 -0.21 -0.52 -4.28 119.66 120.76 3dho s GLN 18 Ca 0.43 -0.41 -0.29 0.00 0.02 0.00 0.00 55.36 55.11 3dho s GLN 18 Cb -0.17 -1.25 -0.01 0.00 1.00 0.00 0.00 33.01 32.58 3dho s GLN 18 CO 0.15 0.10 1.09 -0.06 -2.12 0.00 0.00 175.29 174.45 3dho s PHE 19 N 0.38 3.29 0.21 0.91 2.99 -0.17 -0.98 117.98 124.61 3dho s PHE 19 Ca -0.08 1.39 -0.04 0.00 0.00 0.00 0.00 56.93 58.19 3dho s PHE 19 Cb -0.12 -3.31 0.16 0.00 0.00 0.00 0.00 43.02 39.75 3dho s PHE 19 CO 0.02 -0.75 1.60 0.82 -0.00 0.00 0.00 175.22 176.91 3dho h ILE 20 N 5.27 1.28 0.23 0.64 2.04 -1.54 -2.87 117.51 122.56 3dho h ILE 20 Ca -0.27 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.17 3dho h ILE 20 Cb 1.11 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3dho h ILE 20 CO 0.92 0.47 -0.27 0.50 0.00 0.00 0.00 178.15 179.77 3dho h LYS 21 N 0.63 -0.52 -0.36 2.37 3.64 -1.80 0.13 116.57 120.66 3dho h LYS 21 Ca 0.08 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3dho h LYS 21 Cb 0.81 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3dho h LYS 21 CO 0.07 -0.35 -0.07 -1.00 -2.27 0.00 0.00 179.45 175.83 3dho h PRO 22 N -0.54 0.61 -0.68 1.90 0.13 -1.78 -2.80 132.00 128.82 3dho h PRO 22 Ca 0.00 -0.17 0.07 0.00 -0.87 0.00 0.00 66.00 65.04 3dho h PRO 22 Cb 0.52 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 3dho h PRO 22 CO -0.08 0.68 0.45 0.82 -0.23 0.00 0.00 178.00 179.64 3dho h ILE 23 N 0.56 0.99 -0.70 -3.56 1.08 -1.21 -2.87 117.51 111.80 3dho h ILE 23 Ca 0.11 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3dho h ILE 23 Cb 0.47 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3dho h ILE 23 CO 0.02 0.12 0.00 0.18 -0.69 0.00 0.00 178.15 177.78 3dho n LEU 24 N -4.48 4.06 0.18 1.44 4.77 0.42 -4.62 117.00 118.76 3dho n LEU 24 Ca 0.10 -2.09 0.06 0.00 -0.03 0.00 0.00 56.01 54.05 3dho n LEU 24 Cb 0.26 -0.49 0.52 0.00 -2.33 0.00 0.00 43.42 41.38 3dho n LEU 24 CO 0.34 0.94 1.02 -0.33 -1.33 0.00 0.00 177.39 178.03 3dho h GLU 25 N 4.12 0.14 0.00 3.23 5.08 -1.27 -1.76 114.58 124.13 3dho h GLU 25 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dho h GLU 25 Cb 1.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3dho h GLU 25 CO 0.04 0.18 0.00 0.36 -1.00 0.00 0.00 179.01 178.59 3dho n LYS 26 N -4.43 0.01 -3.43 2.33 2.85 -1.26 -4.80 118.16 109.43 3dho n LYS 26 Ca -0.01 0.20 -0.38 0.00 -1.05 0.00 0.00 58.31 57.07 3dho n LYS 26 Cb 0.15 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.95 3dho n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3dho s LEU 27 N -2.99 4.14 0.61 -5.58 1.43 -0.66 -5.07 118.68 110.56 3dho s LEU 27 Ca 0.09 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.47 3dho s LEU 27 Cb 0.11 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 3dho s LEU 27 CO 0.31 -0.06 1.09 -1.61 0.23 0.00 0.00 176.35 176.30 3dho s GLU 28 N 1.32 3.13 -1.65 1.70 2.02 -1.26 -3.85 118.70 120.11 3dho s GLU 28 Ca 0.17 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.50 3dho s GLU 28 Cb -0.15 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3dho s GLU 28 CO 0.08 -0.98 0.00 0.09 0.02 0.00 0.00 175.26 174.47 3dho n ASN 29 N -2.05 -5.06 -3.96 -0.19 5.03 -1.26 -4.98 115.26 102.80 3dho n ASN 29 Ca 0.10 0.21 -0.27 0.00 0.87 0.00 0.00 54.58 55.49 3dho n ASN 29 Cb 0.52 -4.11 -0.17 0.00 -1.02 0.00 0.00 39.78 35.01 3dho n ASN 29 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dho s VAL 30 N -2.74 1.20 -0.14 2.41 1.01 -1.25 -1.37 120.40 119.52 3dho s VAL 30 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3dho s VAL 30 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3dho s VAL 30 CO 0.00 0.39 -0.19 -0.70 0.00 0.00 0.00 175.10 174.61 3dho s GLU 31 N 1.47 2.68 -0.05 2.72 2.12 -0.13 -4.98 118.70 122.52 3dho s GLU 31 Ca 0.02 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.64 3dho s GLU 31 Cb -0.13 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 32.03 3dho s GLU 31 CO -0.07 -0.07 -0.09 0.08 -0.54 0.00 0.00 175.26 174.57 3dho s VAL 32 N 0.99 0.86 0.50 3.70 1.01 -1.26 -0.50 120.40 125.71 3dho s VAL 32 Ca -0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 3dho s VAL 32 Cb -0.15 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 3dho s VAL 32 CO -0.04 0.29 1.02 -0.83 0.00 0.00 0.00 175.10 175.54 3dho s GLY 33 N 0.65 2.34 0.59 4.51 0.00 0.37 -4.74 107.32 111.05 3dho s GLY 33 Ca -0.11 0.47 -0.20 0.00 0.00 0.00 0.00 44.72 44.87 3dho s GLY 33 CO 0.02 0.77 1.31 1.18 0.00 0.00 0.00 173.10 176.38 3dho n GLU 34 N -1.22 1.40 0.00 2.90 4.71 -1.26 -3.39 120.64 123.78 3dho n GLU 34 Ca 0.08 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 3dho n GLU 34 Cb 0.53 -2.53 0.00 0.00 -1.01 0.00 0.00 31.44 28.43 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 -1.44 0.00 -1.74 -0.32 4.02 -1.26 -2.03 117.16 114.39 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 0.46 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 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 3.71 -4.20 7.72 7.64 -1.22 -4.54 113.62 122.74 3dho n SER 36 Ca 0.00 1.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.91 3dho n SER 36 Cb 0.00 -1.57 -0.10 0.00 -1.01 0.00 0.00 64.21 61.53 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 -0.08 1.04 -0.06 1.43 -0.85 -0.49 -1.33 117.35 117.01 3dho s TYR 37 Ca 0.64 -0.84 0.06 0.00 -0.52 0.00 0.00 57.07 56.40 3dho s TYR 37 Cb -0.51 -0.57 -0.01 0.00 0.38 0.00 0.00 41.96 41.25 3dho s TYR 37 CO 0.50 -0.05 -0.24 -0.47 -1.52 0.00 0.00 175.55 173.76 3dho s TYR 38 N -3.47 2.36 -0.49 -3.49 5.04 -0.15 -0.91 117.35 116.25 3dho s TYR 38 Ca 0.13 -0.71 -0.15 0.00 -2.44 0.00 0.00 57.07 53.90 3dho s TYR 38 Cb 0.04 -1.55 0.09 0.00 0.35 0.00 0.00 41.96 40.89 3dho s TYR 38 CO -0.03 -0.22 0.42 0.34 -1.34 0.00 0.00 175.55 174.73 3dho s ASP 39 N -0.12 6.12 0.45 4.32 2.15 -0.70 -1.44 116.67 127.45 3dho s ASP 39 Ca -0.04 -1.51 -0.25 0.00 0.43 0.00 0.00 52.55 51.18 3dho s ASP 39 Cb -0.14 -2.18 -0.08 0.00 -0.30 0.00 0.00 42.92 40.22 3dho s ASP 39 CO 0.04 -0.71 1.41 -0.24 -0.17 0.00 0.00 175.17 175.49 3dho n SER 40 N 5.19 3.20 -0.03 -0.34 2.88 -0.52 -2.32 113.62 121.69 3dho n SER 40 Ca -0.13 1.11 -0.19 0.00 -1.33 0.00 0.00 58.87 58.34 3dho n SER 40 Cb 0.42 -1.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.16 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 2.23 0.13 0.00 -1.46 3.64 -1.91 -3.42 116.57 115.79 3dho h LYS 41 Ca -0.50 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 3dho h LYS 41 Cb 1.27 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3dho h LYS 41 CO 0.61 1.11 -0.22 0.09 -2.27 0.00 0.00 179.45 178.77 3dho n ASN 42 N -4.27 0.80 0.00 4.20 3.02 -1.26 -4.98 115.26 112.77 3dho n ASN 42 Ca -0.20 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 3dho n ASN 42 Cb 0.71 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3dho n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 43 N -0.41 0.24 3.75 7.41 0.00 -1.26 -5.07 105.19 109.86 3dho n GLY 43 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3dho n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dho s GLU 44 N -0.96 3.25 0.28 1.61 1.03 -1.26 -5.01 118.70 117.64 3dho s GLU 44 Ca 0.00 2.14 -0.07 0.00 0.03 0.00 0.00 54.97 57.07 3dho s GLU 44 Cb 0.00 -2.28 -0.06 0.00 -0.80 0.00 0.00 34.13 30.99 3dho s GLU 44 CO 0.00 -1.07 0.58 0.95 -1.33 0.00 0.00 175.26 174.38 3dho s THR 45 N -1.35 4.96 0.52 1.83 -4.23 -1.26 -4.70 115.64 111.41 3dho s THR 45 Ca 0.70 0.28 0.32 0.00 -1.18 0.00 0.00 61.69 61.81 3dho s THR 45 Cb -0.38 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.13 3dho s THR 45 CO 0.45 -0.25 2.20 0.15 -0.54 0.00 0.00 174.62 176.64 3dho h PHE 46 N 1.96 0.00 -0.41 3.99 3.57 -1.95 -1.94 116.94 122.16 3dho h PHE 46 Ca -0.47 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.14 3dho h PHE 46 Cb 1.18 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3dho h PHE 46 CO 0.59 0.04 0.29 0.38 -2.23 0.00 0.00 178.31 177.39 3dho h ASP 47 N 0.00 0.01 0.65 0.41 2.03 -1.94 0.59 116.42 118.17 3dho h ASP 47 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dho h ASP 47 Cb 0.14 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 3dho h ASP 47 CO 0.01 0.01 0.00 0.29 -1.03 0.00 0.00 179.24 178.51 3dho n LYS 48 N -4.42 0.02 0.00 4.15 4.76 -0.73 -2.71 118.16 119.23 3dho n LYS 48 Ca 0.07 0.16 0.11 0.00 -2.87 0.00 0.00 58.31 55.78 3dho n LYS 48 Cb 0.48 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.20 3dho n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dho n GLN 49 N -1.49 0.98 -3.43 1.97 1.13 0.20 -4.81 117.38 111.93 3dho n GLN 49 Ca 0.05 -0.78 -0.42 0.00 -1.94 0.00 0.00 57.00 53.90 3dho n GLN 49 Cb 0.22 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.56 5.22 0.08 5.09 -1.09 -1.10 -1.52 121.20 125.32 3dho s ILE 50 Ca 0.18 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.19 3dho s ILE 50 Cb 0.18 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 3dho s ILE 50 CO 0.61 -0.28 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.17 3dho s LEU 51 N 1.82 2.98 -1.53 2.97 1.43 -0.10 -4.68 118.68 121.57 3dho s LEU 51 Ca 0.07 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3dho s LEU 51 Cb -0.18 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dho s LEU 51 CO 0.11 0.20 0.64 -1.22 0.23 0.00 0.00 176.35 176.31 3dho n TYR 52 N 0.93 -2.02 -3.41 0.29 4.02 -1.26 -1.09 117.16 114.62 3dho n TYR 52 Ca -0.14 0.55 -0.44 0.00 -0.01 0.00 0.00 57.90 57.86 3dho n TYR 52 Cb 0.52 -4.39 -0.06 0.00 -0.02 0.00 0.00 39.34 35.39 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 -3.17 3.36 -0.15 -0.72 2.46 -1.26 -0.57 115.29 115.24 3dho s HIS 53 Ca 0.33 -1.60 -0.02 0.00 0.47 0.00 0.00 55.06 54.24 3dho s HIS 53 Cb -0.15 -3.67 -0.02 0.00 -0.13 0.00 0.00 32.58 28.61 3dho s HIS 53 CO 0.41 -1.00 -0.09 0.71 -2.47 0.00 0.00 174.74 172.30 3dho s TYR 54 N 1.35 2.90 0.48 3.88 2.02 -1.26 -5.03 117.35 121.70 3dho s TYR 54 Ca 0.06 -0.56 0.20 0.00 -0.37 0.00 0.00 57.07 56.40 3dho s TYR 54 Cb -0.27 -1.91 1.22 0.00 -0.40 0.00 0.00 41.96 40.60 3dho s TYR 54 CO 0.00 -0.19 1.96 -1.35 -1.57 0.00 0.00 175.55 174.40 3dho h PRO 55 N 6.87 0.20 -0.70 -1.71 0.11 -1.95 -2.54 132.00 132.29 3dho h PRO 55 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dho h PRO 55 Cb 1.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3dho h PRO 55 CO 0.59 0.13 0.44 0.97 -0.21 0.00 0.00 178.00 179.93 3dho h ILE 56 N 0.21 1.19 0.00 4.15 6.09 -1.99 -1.60 117.51 125.56 3dho h ILE 56 Ca 0.31 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 3dho h ILE 56 Cb 0.91 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.38 3dho h ILE 56 CO -0.06 0.19 0.00 -0.07 -3.07 0.00 0.00 178.15 175.14 3dho h LEU 57 N 0.95 0.00 1.09 2.19 3.38 -1.89 -3.47 115.31 117.55 3dho h LEU 57 Ca 0.25 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.84 3dho h LEU 57 Cb -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.53 3dho h LEU 57 CO -0.05 0.00 -0.35 -3.20 0.09 0.00 0.00 178.44 174.93 3dho n ASN 58 N -2.90 -4.93 -4.78 -0.43 5.15 -0.60 -4.97 115.26 101.79 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 0.40 -4.39 -0.03 0.00 -0.53 0.00 0.00 39.78 35.23 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 -2.56 6.47 0.03 1.20 -4.77 -1.26 -5.05 116.67 110.73 3dho s ASP 59 Ca 0.00 2.11 0.04 0.00 -3.30 0.00 0.00 52.55 51.40 3dho s ASP 59 Cb 0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 3dho s ASP 59 CO 0.00 -0.70 -0.05 -0.54 0.70 0.00 0.00 175.17 174.58 3dho s LYS 60 N -2.70 2.53 -0.20 2.11 -0.14 -1.26 -4.92 119.74 115.16 3dho s LYS 60 Ca 0.62 -0.76 -0.04 0.00 -1.36 0.00 0.00 55.97 54.42 3dho s LYS 60 Cb -0.23 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.39 3dho s LYS 60 CO 0.29 0.59 -0.02 -1.17 -0.76 0.00 0.00 175.35 174.27 3dho s LEU 61 N -1.64 3.16 -0.09 3.17 2.96 -0.47 -1.12 118.68 124.64 3dho s LEU 61 Ca 0.19 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3dho s LEU 61 Cb -0.11 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3dho s LEU 61 CO 0.10 0.06 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.24 3dho s LYS 62 N 1.00 2.68 -0.05 1.98 2.20 -0.08 -0.96 119.74 126.51 3dho s LYS 62 Ca 0.01 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 3dho s LYS 62 Cb -0.14 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 3dho s LYS 62 CO 0.01 0.12 -0.19 0.42 -0.36 0.00 0.00 175.35 175.35 3dho s ILE 63 N 0.47 1.59 0.00 5.43 1.01 0.34 -0.83 121.20 129.22 3dho s ILE 63 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3dho s ILE 63 Cb -0.17 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3dho s ILE 63 CO 0.07 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3dho n GLY 64 N 3.08 -1.50 3.94 6.18 0.00 0.10 -0.47 105.19 116.51 3dho n GLY 64 Ca -0.18 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.38 3.50 -1.45 1.61 1.02 -1.26 -2.48 119.74 119.29 3dho s LYS 65 Ca 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 3dho s LYS 65 Cb 0.00 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 3dho s LYS 65 CO 0.00 0.25 0.42 1.19 -0.92 0.00 0.00 175.35 176.29 3dho n PHE 66 N -1.41 -1.73 -3.13 3.18 3.72 -0.86 -0.62 117.46 116.61 3dho n PHE 66 Ca -0.05 0.37 -0.30 0.00 -0.05 0.00 0.00 57.45 57.42 3dho n PHE 66 Cb 0.56 -3.81 -0.04 0.00 -0.94 0.00 0.00 39.48 35.24 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 -2.87 3.91 -0.24 0.00 0.01 -0.02 -1.39 113.70 113.10 3dho s SER 68 Ca 0.49 -1.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 3dho s SER 68 Cb -0.11 -1.53 0.02 0.00 0.21 0.00 0.00 66.02 64.61 3dho s SER 68 CO 0.27 -0.11 -0.05 -0.63 0.41 0.00 0.00 173.24 173.13 3dho s ILE 69 N 1.20 3.05 0.89 1.44 -1.09 -0.09 -0.74 121.20 125.86 3dho s ILE 69 Ca -0.02 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.43 3dho s ILE 69 Cb -0.17 -2.49 0.13 0.00 -1.58 0.00 0.00 42.46 38.34 3dho s ILE 69 CO -0.08 0.27 1.10 -0.83 -1.23 0.00 0.00 174.94 174.16 3dho s GLY 70 N 1.38 1.61 0.37 6.18 0.00 0.74 -1.71 107.32 115.88 3dho s GLY 70 Ca 0.02 -0.16 -0.28 0.00 0.00 0.00 0.00 44.72 44.30 3dho s GLY 70 CO -0.04 0.33 1.48 2.56 0.00 0.00 0.00 173.10 177.43 3dho s PRO 71 N -5.01 4.12 0.00 2.90 0.04 -0.98 -2.89 135.00 133.19 3dho s PRO 71 Ca 0.63 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.22 3dho s PRO 71 Cb -0.17 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3dho s PRO 71 CO 0.56 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3dho n GLY 72 N 0.56 1.98 3.66 0.56 0.00 -1.26 -0.90 105.19 109.79 3dho n GLY 72 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 1.62 -4.63 1.61 0.31 -1.14 -4.32 118.33 109.78 3dho n VAL 73 Ca 0.00 -0.41 -0.26 0.00 -0.01 0.00 0.00 64.34 63.67 3dho n VAL 73 Cb 0.00 -1.37 -0.14 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.72 1.68 -0.21 2.52 -4.23 -0.47 -4.81 115.64 109.40 3dho s THR 74 Ca 0.61 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3dho s THR 74 Cb -0.64 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 71.75 3dho s THR 74 CO 0.57 0.19 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.08 3dho s ILE 75 N -0.82 2.51 -0.35 2.99 1.01 -0.58 -1.02 121.20 124.94 3dho s ILE 75 Ca 0.07 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 3dho s ILE 75 Cb -0.09 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.25 3dho s ILE 75 CO 0.02 0.42 0.18 -0.63 0.00 0.00 0.00 174.94 174.93 3dho s ILE 76 N 1.33 4.56 0.59 2.92 -1.09 0.10 -0.92 121.20 128.69 3dho s ILE 76 Ca 0.03 -0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 57.72 3dho s ILE 76 Cb -0.14 -3.47 0.12 0.00 -1.58 0.00 0.00 42.46 37.39 3dho s ILE 76 CO -0.09 -0.12 0.81 0.23 -1.23 0.00 0.00 174.94 174.54 3dho n MET 77 N 4.99 -0.17 0.00 2.79 2.81 -0.25 -2.23 117.12 125.07 3dho n MET 77 Ca -0.13 -1.95 0.11 0.00 -1.81 0.00 0.00 57.70 53.92 3dho n MET 77 Cb 0.47 -0.62 0.56 0.00 -0.71 0.00 0.00 33.22 32.92 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 -3.09 0.00 0.02 7.83 3.02 -1.23 -3.41 115.26 118.41 3dho n ASN 78 Ca 0.13 0.02 0.03 0.00 -0.03 0.00 0.00 54.58 54.73 3dho n ASN 78 Cb 0.45 -0.31 0.15 0.00 -0.61 0.00 0.00 39.78 39.46 3dho n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 79 N 0.67 -0.70 0.17 7.41 0.00 0.26 -2.04 105.19 110.95 3dho n GLY 79 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3dho n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dho h ALA 80 N 2.16 0.78 -2.51 4.61 0.00 -1.75 -3.47 119.26 119.08 3dho h ALA 80 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3dho h ALA 80 Cb 0.09 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dho h ALA 80 CO 0.00 0.00 0.96 -0.80 0.00 0.00 0.00 179.25 179.41 3dho s ASN 81 N -5.71 6.59 0.31 0.00 0.01 -0.87 -5.02 114.94 110.25 3dho s ASN 81 Ca 0.04 2.54 -0.08 0.00 -0.71 0.00 0.00 52.86 54.65 3dho s ASN 81 Cb 0.07 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 3dho s ASN 81 CO 0.72 -0.87 0.63 -1.00 -1.51 0.00 0.00 177.10 175.07 3dho s HIS 82 N 2.09 3.45 0.30 2.20 3.76 -1.26 -5.06 115.29 120.77 3dho s HIS 82 Ca 0.73 0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 56.20 3dho s HIS 82 Cb -0.41 -2.27 -0.10 0.00 1.11 0.00 0.00 32.58 30.90 3dho s HIS 82 CO 0.32 0.11 1.44 0.50 -0.85 0.00 0.00 174.74 176.26 3dho s ARG 83 N -3.40 4.24 0.00 1.40 3.52 -1.26 -4.95 118.95 118.50 3dho s ARG 83 Ca 0.48 2.37 0.03 0.00 -0.13 0.00 0.00 55.73 58.47 3dho s ARG 83 Cb -0.11 -3.06 0.05 0.00 -1.56 0.00 0.00 34.95 30.27 3dho s ARG 83 CO 0.27 -0.41 1.01 0.00 -0.81 0.00 0.00 175.30 175.35 3dho n MET 84 N 1.60 0.00 0.00 5.12 0.00 -1.26 -3.78 117.12 118.80 3dho n MET 84 Ca 0.04 -1.08 0.13 0.00 0.00 0.00 0.00 57.70 56.79 3dho n MET 84 Cb 0.40 -0.43 0.60 0.00 0.00 0.00 0.00 33.22 33.79 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 0.05 0.00 0.00 3.17 5.75 -1.26 -4.87 116.55 119.40 3dho n ASP 85 Ca 0.01 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 3dho n ASP 85 Cb 0.74 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3dho n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dho n GLY 86 N 1.32 3.99 3.76 6.12 0.00 -1.26 -5.12 105.19 113.99 3dho n GLY 86 Ca 0.07 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 1.49 6.62 0.00 1.61 0.15 -1.26 -4.90 113.70 117.40 3dho s SER 87 Ca 0.00 2.75 0.30 0.00 0.70 0.00 0.00 55.95 59.71 3dho s SER 87 Cb 0.00 -2.64 1.57 0.00 -1.71 0.00 0.00 66.02 63.25 3dho s SER 87 CO 0.00 -0.70 2.06 0.35 1.20 0.00 0.00 173.24 176.15 3dho n THR 88 N 1.66 0.00 -2.29 6.45 -2.24 -1.25 -4.62 114.28 111.99 3dho n THR 88 Ca 0.04 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3dho n THR 88 Cb 0.40 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.28 2.89 -1.37 4.78 6.14 -1.26 -4.67 117.35 121.58 3dho s TYR 89 Ca 0.37 0.90 -0.11 0.00 0.64 0.00 0.00 57.07 58.87 3dho s TYR 89 Cb 0.21 -3.60 0.10 0.00 0.42 0.00 0.00 41.96 39.09 3dho s TYR 89 CO 0.42 -2.17 2.09 -0.35 0.64 0.00 0.00 175.55 176.17 3dho n PRO 90 N 5.53 3.36 -0.28 4.97 -0.04 -1.26 -4.76 135.00 142.52 3dho n PRO 90 Ca 0.13 -3.09 0.05 0.00 -0.04 0.00 0.00 63.50 60.55 3dho n PRO 90 Cb 0.44 -3.05 0.15 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.76 -0.21 -0.86 0.54 -1.00 -1.90 -1.00 116.94 118.27 3dho h PHE 91 Ca 0.50 0.07 0.23 0.00 2.81 0.00 0.00 57.97 61.57 3dho h PHE 91 Cb 0.60 0.22 -0.05 0.00 3.61 0.00 0.00 35.95 40.34 3dho h PHE 91 CO 1.38 -0.32 0.60 -2.95 -1.61 0.00 0.00 178.31 175.41 3dho h ASN 92 N 0.04 0.15 0.10 2.17 -1.07 -1.79 -1.09 115.58 114.08 3dho h ASN 92 Ca 0.43 0.02 -0.02 0.00 0.07 0.00 0.00 56.30 56.80 3dho h ASN 92 Cb 0.74 -0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 36.98 3dho h ASN 92 CO -0.78 0.06 -0.10 0.25 0.07 0.00 0.00 177.43 176.93 3dho h LEU 93 N 0.14 0.00 -1.03 6.14 5.85 -1.48 -2.97 115.31 121.96 3dho h LEU 93 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3dho h LEU 93 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3dho h LEU 93 CO -0.07 0.10 -0.02 0.49 -0.34 0.00 0.00 178.44 178.60 3dho n PHE 94 N -4.40 0.00 -3.68 1.25 3.01 -0.41 -5.02 117.46 108.21 3dho n PHE 94 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3dho n PHE 94 Cb 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.21 2.21 3.96 1.37 0.00 -1.12 -4.88 105.19 107.94 3dho n GLY 95 Ca 0.18 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.53 -4.60 0.00 1.61 3.02 -1.26 -1.11 115.26 112.39 3dho n ASN 96 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3dho n ASN 96 Cb 0.00 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.65 2.68 0.10 7.41 0.00 -1.26 -4.91 105.19 107.56 3dho n GLY 97 Ca 0.05 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.75 0.30 1.61 8.01 -0.27 -2.97 117.44 124.87 3dho n TRP 98 Ca 0.00 0.25 0.18 0.00 -1.31 0.00 0.00 57.50 56.63 3dho n TRP 98 Cb 0.00 -0.91 0.89 0.00 -2.01 0.00 0.00 31.31 29.28 3dho n TRP 98 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 3dho h GLU 99 N 0.00 0.00 0.00 -0.99 9.09 -1.72 -0.69 114.58 120.27 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 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 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 -0.64 1.06 2.10 -1.88 -1.27 116.57 115.95 3dho h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dho h LYS 100 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3dho h LYS 100 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 3dho n HIS 101 N -2.57 1.37 -1.59 0.07 8.25 -0.27 -4.96 115.22 115.53 3dho n HIS 101 Ca -0.01 -0.53 -0.47 0.00 -0.26 0.00 0.00 57.72 56.45 3dho n HIS 101 Cb 0.11 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 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 0.84 1.27 -2.11 -0.41 0.00 -0.48 -4.54 117.12 111.69 3dho n MET 102 Ca 0.22 0.45 -0.39 0.00 0.00 0.00 0.00 57.70 57.98 3dho n MET 102 Cb 0.83 -1.92 -0.01 0.00 0.00 0.00 0.00 33.22 32.12 3dho n MET 102 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3dho s PRO 103 N -0.71 4.00 0.76 2.12 0.02 -1.26 -5.03 135.00 134.91 3dho s PRO 103 Ca 0.69 2.09 -0.11 0.00 0.02 0.00 0.00 61.00 63.68 3dho s PRO 103 Cb -0.79 -2.76 0.05 0.00 0.02 0.00 0.00 34.50 31.02 3dho s PRO 103 CO 0.54 -0.44 1.09 0.15 -0.33 0.00 0.00 177.00 178.01 3dho s LYS 104 N -2.22 2.42 0.28 5.54 1.02 -1.26 -4.93 119.74 120.58 3dho s LYS 104 Ca 0.56 0.70 0.01 0.00 0.02 0.00 0.00 55.97 57.27 3dho s LYS 104 Cb -0.36 -1.95 0.55 0.00 -0.52 0.00 0.00 37.83 35.55 3dho s LYS 104 CO 0.47 -1.40 1.82 -0.07 -0.92 0.00 0.00 175.35 175.25 3dho h LEU 105 N -0.93 0.85 -0.87 3.17 3.38 -1.95 -0.53 115.31 118.44 3dho h LEU 105 Ca -0.46 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3dho h LEU 105 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dho h LEU 105 CO 0.59 0.44 0.00 -2.24 0.09 0.00 0.00 178.44 177.32 3dho h ASP 106 N 0.92 0.00 0.78 -0.43 3.04 -2.03 -3.06 116.42 115.63 3dho h ASP 106 Ca 0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 3dho h ASP 106 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 3dho h ASP 106 CO -0.28 0.00 -0.47 0.00 -2.04 0.00 0.00 179.24 176.45 3dho n GLN 107 N -2.39 0.14 -3.78 4.15 6.02 -0.21 -4.39 117.38 116.91 3dho n GLN 107 Ca 0.02 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.72 3dho n GLN 107 Cb 0.24 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 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 -3.63 5.03 0.27 1.08 1.43 -1.16 -4.73 118.68 116.98 3dho s LEU 108 Ca 0.09 -3.26 -0.29 0.00 -1.03 0.00 0.00 54.13 49.64 3dho s LEU 108 Cb 0.16 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 3dho s LEU 108 CO 0.68 -0.25 1.30 -2.84 0.23 0.00 0.00 176.35 175.48 3dho s PRO 109 N -0.65 4.39 0.45 1.29 0.02 -1.26 -4.99 135.00 134.24 3dho s PRO 109 Ca 0.21 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 3dho s PRO 109 Cb -0.16 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 3dho s PRO 109 CO -0.07 -0.20 0.79 0.96 -0.33 0.00 0.00 177.00 178.15 3dho s ILE 110 N -0.57 4.84 -1.16 2.83 -4.36 -1.26 -4.97 121.20 116.56 3dho s ILE 110 Ca 0.52 0.43 0.29 0.00 -0.26 0.00 0.00 60.65 61.63 3dho s ILE 110 Cb -0.38 -3.80 0.34 0.00 1.25 0.00 0.00 42.46 39.86 3dho s ILE 110 CO 0.45 -0.71 1.95 0.29 0.24 0.00 0.00 174.94 177.17 3dho n LYS 111 N -1.82 0.15 0.00 0.37 5.02 -1.26 -5.03 118.16 115.59 3dho n LYS 111 Ca 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3dho n LYS 111 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3dho n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dho n GLY 112 N 1.36 0.45 3.84 0.72 0.00 -1.26 -4.48 105.19 105.81 3dho n GLY 112 Ca 0.09 -2.31 -0.32 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 -1.06 6.03 -0.26 1.61 1.01 -1.26 -3.66 116.67 119.07 3dho s ASP 113 Ca 0.00 1.58 -0.11 0.00 0.71 0.00 0.00 52.55 54.73 3dho s ASP 113 Cb 0.00 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 3dho s ASP 113 CO 0.00 -1.00 0.19 -0.89 0.21 0.00 0.00 175.17 173.68 3dho s THR 114 N -2.87 5.32 -0.21 -1.27 2.01 -0.28 -3.91 115.64 114.43 3dho s THR 114 Ca 0.58 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.78 3dho s THR 114 Cb -0.12 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 68.91 3dho s THR 114 CO 0.45 0.28 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.99 3dho s ILE 115 N 1.49 1.27 -0.20 1.82 1.01 -0.35 -0.90 121.20 125.35 3dho s ILE 115 Ca 0.08 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3dho s ILE 115 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3dho s ILE 115 CO 0.08 -0.05 0.10 -0.63 0.00 0.00 0.00 174.94 174.44 3dho s ILE 116 N 1.53 4.99 0.00 2.92 1.01 -0.01 -0.15 121.20 131.50 3dho s ILE 116 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3dho s ILE 116 Cb -0.18 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3dho s ILE 116 CO -0.07 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3dho n GLY 117 N 3.78 -1.60 3.93 6.18 0.00 0.54 -0.72 105.19 117.30 3dho n GLY 117 Ca -0.16 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.32 6.37 -1.46 1.61 0.01 -1.26 -2.20 114.94 116.68 3dho s ASN 118 Ca 0.00 0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 52.44 3dho s ASN 118 Cb 0.00 -2.00 0.05 0.00 0.41 0.00 0.00 41.25 39.71 3dho s ASN 118 CO 0.00 -0.08 0.86 -0.67 -1.51 0.00 0.00 177.10 175.69 3dho n ASP 119 N -0.89 -5.29 -4.73 -1.22 4.64 0.21 -0.64 116.55 108.62 3dho n ASP 119 Ca -0.05 -0.55 -0.35 0.00 -1.38 0.00 0.00 54.79 52.46 3dho n ASP 119 Cb 0.54 -4.24 -0.08 0.00 -1.04 0.00 0.00 41.12 36.30 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 -3.21 5.00 -0.24 5.18 1.01 -1.26 -3.15 120.40 123.73 3dho s VAL 120 Ca 0.52 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 3dho s VAL 120 Cb -0.25 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3dho s VAL 120 CO 0.65 0.54 0.03 0.86 0.00 0.00 0.00 175.10 177.18 3dho s TRP 121 N -0.33 3.04 -0.22 5.22 -0.00 -0.81 -0.84 118.94 125.00 3dho s TRP 121 Ca 0.09 -0.61 -0.03 0.00 -0.00 0.00 0.00 56.10 55.55 3dho s TRP 121 Cb -0.12 -2.19 -0.00 0.00 -0.00 0.00 0.00 33.47 31.15 3dho s TRP 121 CO 0.01 -0.43 -0.05 0.42 -0.00 0.00 0.00 176.95 176.90 3dho s ILE 122 N 1.57 3.26 0.99 5.86 1.01 0.08 -0.65 121.20 133.32 3dho s ILE 122 Ca 0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 3dho s ILE 122 Cb -0.15 -2.49 0.18 0.00 0.01 0.00 0.00 42.46 40.01 3dho s ILE 122 CO 0.01 0.41 1.10 -0.83 0.00 0.00 0.00 174.94 175.64 3dho s GLY 123 N 1.46 1.56 0.30 6.18 0.00 0.28 -0.18 107.32 116.91 3dho s GLY 123 Ca 0.05 -0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 3dho s GLY 123 CO -0.04 0.19 1.28 1.17 0.00 0.00 0.00 173.10 175.70 3dho n LYS 124 N -4.11 1.95 -1.42 2.90 4.81 -1.26 -2.74 118.16 118.29 3dho n LYS 124 Ca 0.05 0.69 -0.15 0.00 -0.87 0.00 0.00 58.31 58.03 3dho n LYS 124 Cb 0.58 -2.26 -0.06 0.00 0.02 0.00 0.00 35.03 33.31 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 1.32 -5.60 -4.76 3.14 10.43 -0.07 -1.00 116.55 120.01 3dho n ASP 125 Ca 0.08 0.36 -0.39 0.00 2.57 0.00 0.00 54.79 57.41 3dho n ASP 125 Cb 0.34 -4.41 0.01 0.00 1.84 0.00 0.00 41.12 38.90 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 -2.23 2.31 -0.17 2.53 1.01 -1.11 -4.31 120.40 118.43 3dho s VAL 126 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 3dho s VAL 126 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3dho s VAL 126 CO 0.00 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.36 3dho s VAL 127 N -1.27 3.40 -0.33 2.92 1.01 -0.01 -1.36 120.40 124.75 3dho s VAL 127 Ca 0.63 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 3dho s VAL 127 Cb -0.40 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3dho s VAL 127 CO 0.50 0.47 0.21 -0.63 0.00 0.00 0.00 175.10 175.66 3dho s ILE 128 N 0.82 5.13 0.66 2.22 -1.09 -0.19 -0.48 121.20 128.27 3dho s ILE 128 Ca -0.02 -0.21 -0.08 0.00 -2.23 0.00 0.00 60.65 58.11 3dho s ILE 128 Cb -0.15 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3dho s ILE 128 CO 0.01 0.04 0.99 -0.04 -1.23 0.00 0.00 174.94 174.72 3dho s MET 129 N 1.70 2.71 0.49 2.79 -1.94 -0.39 -0.72 119.30 123.95 3dho s MET 129 Ca 0.06 0.09 -0.23 0.00 -1.71 0.00 0.00 55.69 53.89 3dho s MET 129 Cb -0.17 -2.16 -0.07 0.00 2.01 0.00 0.00 34.83 34.43 3dho s MET 129 CO 0.10 -0.95 1.27 -2.30 -0.01 0.00 0.00 175.02 173.13 3dho n PRO 130 N -2.81 1.73 -1.02 2.03 -0.02 -0.95 -3.43 135.00 130.53 3dho n PRO 130 Ca 0.06 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 3dho n PRO 130 Cb 0.58 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.84 0.47 3.78 -1.23 0.00 -1.24 -4.84 105.19 102.96 3dho n GLY 131 Ca 0.09 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.92 4.37 -0.12 1.61 1.01 -1.22 -4.73 120.40 119.40 3dho s VAL 132 Ca 0.00 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3dho s VAL 132 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3dho s VAL 132 CO 0.00 0.52 -0.17 -0.54 0.00 0.00 0.00 175.10 174.91 3dho s LYS 133 N -1.11 3.26 -0.16 2.72 -0.14 -1.26 -1.21 119.74 121.85 3dho s LYS 133 Ca 0.36 -0.76 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 3dho s LYS 133 Cb -0.23 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 3dho s LYS 133 CO 0.26 0.20 -0.18 0.42 -0.76 0.00 0.00 175.35 175.30 3dho s ILE 134 N 0.34 1.83 0.81 2.17 1.01 0.79 -1.17 121.20 126.98 3dho s ILE 134 Ca -0.14 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 3dho s ILE 134 Cb -0.17 -1.67 0.08 0.00 0.01 0.00 0.00 42.46 40.71 3dho s ILE 134 CO 0.07 0.50 1.09 -0.83 0.00 0.00 0.00 174.94 175.77 3dho s GLY 135 N 1.25 1.65 0.36 6.18 0.00 0.41 -0.34 107.32 116.83 3dho s GLY 135 Ca 0.02 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 3dho s GLY 135 CO -0.09 0.48 1.13 1.22 0.00 0.00 0.00 173.10 175.83 3dho n ASP 136 N -3.58 1.90 0.00 1.64 10.43 -1.26 -2.84 116.55 122.84 3dho n ASP 136 Ca 0.08 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.58 3dho n ASP 136 Cb 0.54 -1.39 0.00 0.00 1.84 0.00 0.00 41.12 42.11 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 1.02 0.89 3.74 0.44 0.00 0.19 -0.65 105.19 110.81 3dho n GLY 137 Ca 0.08 0.00 -0.32 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 -3.67 2.06 -0.10 4.61 0.00 -1.13 -3.90 121.76 119.63 3dho s ALA 138 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3dho s ALA 138 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3dho s ALA 138 CO 0.00 -1.97 -0.12 0.42 0.00 0.00 0.00 175.76 174.10 3dho s ILE 139 N -2.62 1.22 -0.25 0.00 1.01 -0.04 -1.93 121.20 118.59 3dho s ILE 139 Ca 0.65 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 3dho s ILE 139 Cb -0.21 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 3dho s ILE 139 CO 0.53 0.39 0.02 -0.69 0.00 0.00 0.00 174.94 175.18 3dho s VAL 140 N 1.13 3.71 0.51 2.92 1.01 0.17 -1.09 120.40 128.75 3dho s VAL 140 Ca -0.05 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 3dho s VAL 140 Cb -0.14 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 3dho s VAL 140 CO -0.02 0.27 1.19 0.00 0.00 0.00 0.00 175.10 176.53 3dho n ALA 141 N 4.83 0.96 -1.54 5.51 0.00 0.22 -0.56 120.51 129.93 3dho n ALA 141 Ca -0.16 0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 3dho n ALA 141 Cb 0.50 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.88 -0.77 -0.98 0.00 0.00 -1.26 -2.32 120.51 114.29 3dho n ALA 142 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3dho n ALA 142 Cb 0.43 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.27 -3.44 -4.76 0.00 4.13 -0.17 -4.82 115.26 107.48 3dho n ASN 143 Ca 0.11 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.03 3dho n ASN 143 Cb 0.33 -1.32 0.05 0.00 -1.54 0.00 0.00 39.78 37.30 3dho n ASN 143 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3dho s SER 144 N -2.08 4.92 -0.27 6.41 0.01 -0.98 -4.74 113.70 116.97 3dho s SER 144 Ca 0.00 2.15 0.01 0.00 1.31 0.00 0.00 55.95 59.42 3dho s SER 144 Cb 0.00 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.74 3dho s SER 144 CO 0.00 -1.77 0.00 -0.69 0.41 0.00 0.00 173.24 171.20 3dho s VAL 145 N -2.12 1.53 -0.38 3.43 1.01 -0.48 -0.83 120.40 122.55 3dho s VAL 145 Ca 0.71 -1.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3dho s VAL 145 Cb -0.24 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3dho s VAL 145 CO 0.40 -0.33 0.56 -0.69 0.00 0.00 0.00 175.10 175.04 3dho s VAL 146 N 1.35 4.95 -0.15 2.92 1.01 0.37 -0.77 120.40 130.08 3dho s VAL 146 Ca 0.01 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3dho s VAL 146 Cb -0.19 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 32.01 3dho s VAL 146 CO -0.11 -0.37 -0.07 0.52 0.00 0.00 0.00 175.10 175.08 3dho n VAL 147 N 5.57 0.93 -4.45 2.92 0.31 -1.26 -1.26 118.33 121.09 3dho n VAL 147 Ca -0.04 -0.44 -0.28 0.00 -0.01 0.00 0.00 64.34 63.57 3dho n VAL 147 Cb 0.48 -0.91 -0.08 0.00 -0.91 0.00 0.00 33.84 32.42 3dho n VAL 147 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3dho s LYS 148 N -2.32 2.13 0.62 5.55 -2.85 -1.26 -4.80 119.74 116.80 3dho s LYS 148 Ca -0.16 -2.11 -0.18 0.00 -1.00 0.00 0.00 55.97 52.52 3dho s LYS 148 Cb 0.05 -1.75 -0.03 0.00 -2.06 0.00 0.00 37.83 34.05 3dho s LYS 148 CO 0.44 -0.21 1.23 -0.51 0.10 0.00 0.00 175.35 176.41 3dho s ASP 149 N -3.87 4.97 -0.13 0.03 1.01 -1.26 -4.75 116.67 112.67 3dho s ASP 149 Ca 0.28 2.46 0.02 0.00 0.71 0.00 0.00 52.55 56.03 3dho s ASP 149 Cb 0.05 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3dho s ASP 149 CO 0.15 -1.75 -0.21 -0.63 0.21 0.00 0.00 175.17 172.95 3dho s ILE 150 N -1.55 2.24 0.82 0.77 1.01 -0.32 -4.97 121.20 119.20 3dho s ILE 150 Ca 0.79 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 3dho s ILE 150 Cb -0.32 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.34 3dho s ILE 150 CO 0.36 0.55 1.09 0.00 0.00 0.00 0.00 174.94 176.93 3dho s ALA 151 N 0.61 1.96 0.50 9.38 0.00 -1.26 -0.45 121.76 132.51 3dho s ALA 151 Ca -0.11 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 3dho s ALA 151 Cb -0.16 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3dho s ALA 151 CO 0.03 -2.02 1.37 -2.30 0.00 0.00 0.00 175.76 172.83 3dho n PRO 152 N -3.68 1.89 -2.57 0.00 -0.02 -1.26 -2.96 135.00 126.39 3dho n PRO 152 Ca 0.08 0.68 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 3dho n PRO 152 Cb 0.54 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 -0.69 -1.43 -3.60 6.00 4.02 0.18 -4.85 117.16 116.78 3dho n TYR 153 Ca 0.08 0.08 -0.37 0.00 -0.01 0.00 0.00 57.90 57.68 3dho n TYR 153 Cb 0.43 -3.05 -0.06 0.00 -0.02 0.00 0.00 39.34 36.64 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 -5.18 3.78 -0.05 -0.72 -1.94 -1.16 -0.55 119.30 113.49 3dho s MET 154 Ca 0.06 0.24 -0.25 0.00 -1.71 0.00 0.00 55.69 54.04 3dho s MET 154 Cb -0.03 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.59 3dho s MET 154 CO 0.08 0.69 0.76 -0.51 -0.01 0.00 0.00 175.02 176.03 3dho s LEU 155 N -1.21 4.34 0.05 -0.03 1.43 -0.11 -0.86 118.68 122.30 3dho s LEU 155 Ca 0.23 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3dho s LEU 155 Cb -0.15 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 3dho s LEU 155 CO 0.12 -0.14 -0.06 0.00 0.23 0.00 0.00 176.35 176.51 3dho s ALA 156 N 0.79 0.57 0.02 4.21 0.00 -0.25 0.03 121.76 127.11 3dho s ALA 156 Ca 0.40 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 3dho s ALA 156 Cb -0.19 0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.16 3dho s ALA 156 CO 0.20 -0.15 0.94 0.20 0.00 0.00 0.00 175.76 176.95 3dho s GLY 157 N -2.11 -0.40 0.00 0.00 0.00 -0.65 -0.61 107.32 103.55 3dho s GLY 157 Ca -0.03 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3dho s GLY 157 CO -0.03 0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.95 3dho n GLY 158 N -0.29 0.92 2.57 0.20 0.00 -1.26 -1.23 105.19 106.10 3dho n GLY 158 Ca -0.08 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 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 3.54 0.54 1.61 2.47 -1.26 -1.38 114.94 120.45 3dho s ASN 159 Ca 0.00 -1.58 -0.18 0.00 0.42 0.00 0.00 52.86 51.53 3dho s ASN 159 Cb 0.00 -0.49 -0.06 0.00 -1.45 0.00 0.00 41.25 39.25 3dho s ASN 159 CO 0.00 -0.40 1.04 -2.16 -3.72 0.00 0.00 177.10 171.85 3dho s PRO 160 N 1.75 3.61 0.26 0.43 0.04 -1.26 -5.00 135.00 134.83 3dho s PRO 160 Ca 0.11 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 3dho s PRO 160 Cb -0.18 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3dho s PRO 160 CO -0.26 -0.57 1.27 0.00 0.04 0.00 0.00 177.00 177.47 3dho s ALA 161 N -2.27 3.49 0.08 8.56 0.00 0.05 -4.91 121.76 126.76 3dho s ALA 161 Ca 0.65 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.80 3dho s ALA 161 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3dho s ALA 161 CO 0.29 -0.50 -0.20 -0.80 0.00 0.00 0.00 175.76 174.55 3dho s ASN 162 N -0.21 2.39 0.20 0.00 0.02 -0.36 -4.76 114.94 112.23 3dho s ASN 162 Ca 0.51 -0.63 -0.31 0.00 -1.02 0.00 0.00 52.86 51.41 3dho s ASN 162 Cb -0.37 -0.14 -0.10 0.00 0.02 0.00 0.00 41.25 40.66 3dho s ASN 162 CO 0.44 0.07 1.55 -1.61 0.02 0.00 0.00 177.10 177.56 3dho s GLU 163 N -1.69 4.21 -0.26 -0.60 2.02 -1.26 -1.64 118.70 119.48 3dho s GLU 163 Ca 0.06 2.38 -0.15 0.00 0.02 0.00 0.00 54.97 57.28 3dho s GLU 163 Cb -0.10 -3.13 -0.11 0.00 0.10 0.00 0.00 34.13 30.89 3dho s GLU 163 CO 0.03 -0.57 -0.32 -0.89 0.02 0.00 0.00 175.26 173.54 3dho n ILE 164 N 3.38 1.52 -3.51 -1.63 5.41 0.10 -4.94 119.36 119.70 3dho n ILE 164 Ca 0.12 -0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 3dho n ILE 164 Cb 0.39 -1.98 -0.04 0.00 -0.71 0.00 0.00 39.64 37.30 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 -2.56 0.95 0.26 0.38 -2.85 -1.17 -5.02 119.74 109.72 3dho s LYS 165 Ca -0.36 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 3dho s LYS 165 Cb 0.12 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.23 3dho s LYS 165 CO 0.48 -0.35 1.49 -0.65 0.10 0.00 0.00 175.35 176.42 3dho s GLN 166 N -2.10 4.22 0.25 1.78 -0.21 -1.26 -0.93 119.66 121.41 3dho s GLN 166 Ca -0.03 2.38 -0.02 0.00 0.02 0.00 0.00 55.36 57.71 3dho s GLN 166 Cb -0.01 -3.09 0.29 0.00 1.00 0.00 0.00 33.01 31.21 3dho s GLN 166 CO -0.01 -0.49 1.70 0.00 -2.12 0.00 0.00 175.29 174.37 3dho h ARG 167 N 5.05 0.70 -4.68 2.91 3.08 -1.17 -3.47 114.38 116.82 3dho h ARG 167 Ca -0.46 -0.25 -0.29 0.00 0.07 0.00 0.00 59.98 59.05 3dho h ARG 167 Cb 1.22 -0.05 -0.15 0.00 0.08 0.00 0.00 29.97 31.07 3dho h ARG 167 CO 0.79 0.82 -0.60 -0.06 -1.07 0.00 0.00 179.97 179.85 3dho s PHE 168 N -4.70 1.30 0.68 3.04 0.08 -1.26 -5.11 117.98 112.00 3dho s PHE 168 Ca -0.09 -1.40 -0.15 0.00 0.12 0.00 0.00 56.93 55.41 3dho s PHE 168 Cb 0.14 -0.63 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 3dho s PHE 168 CO 0.82 -0.64 1.15 0.16 -0.10 0.00 0.00 175.22 176.61 3dho s ASP 169 N -3.21 4.81 0.24 1.36 -4.77 -1.26 -4.77 116.67 109.06 3dho s ASP 169 Ca 0.39 2.15 -0.04 0.00 -3.30 0.00 0.00 52.55 51.75 3dho s ASP 169 Cb 0.06 -2.57 0.43 0.00 -1.09 0.00 0.00 42.92 39.76 3dho s ASP 169 CO 0.15 -1.84 1.77 -0.61 0.70 0.00 0.00 175.17 175.34 3dho h GLN 170 N 0.01 0.61 -0.37 2.11 5.75 -2.00 -1.52 115.11 119.70 3dho h GLN 170 Ca -0.47 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.03 3dho h GLN 170 Cb 1.27 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 3dho h GLN 170 CO 0.53 0.40 0.16 0.22 -2.65 0.00 0.00 178.83 177.49 3dho h ASP 171 N 0.63 0.20 -0.12 -0.69 3.58 -1.99 0.17 116.42 118.20 3dho h ASP 171 Ca 0.41 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.89 3dho h ASP 171 Cb 0.50 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3dho h ASP 171 CO -0.31 0.15 0.08 0.74 -2.88 0.00 0.00 179.24 177.02 3dho h THR 172 N 0.33 1.04 -0.19 2.25 2.02 -1.75 -0.57 112.91 116.05 3dho h THR 172 Ca 0.16 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3dho h THR 172 Cb 0.11 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3dho h THR 172 CO -0.14 0.04 -0.03 0.40 0.37 0.00 0.00 175.52 176.15 3dho h ILE 173 N 0.15 0.84 -0.87 3.11 2.04 -1.06 -0.50 117.51 121.22 3dho h ILE 173 Ca 0.04 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.97 3dho h ILE 173 Cb -0.01 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 3dho h ILE 173 CO -0.01 0.00 0.53 0.78 0.00 0.00 0.00 178.15 179.46 3dho h ASN 174 N 0.03 0.81 -0.50 1.72 -0.26 -0.44 0.08 115.58 117.02 3dho h ASN 174 Ca 0.09 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 3dho h ASN 174 Cb 0.13 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 3dho h ASN 174 CO -0.17 0.50 0.11 1.56 -1.06 0.00 0.00 177.43 178.36 3dho h GLN 175 N 0.94 0.81 -0.64 0.81 4.20 -0.57 -1.45 115.11 119.20 3dho h GLN 175 Ca 0.39 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3dho h GLN 175 Cb 0.25 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3dho h GLN 175 CO -0.20 0.79 0.08 -0.07 -0.67 0.00 0.00 178.83 178.76 3dho h LEU 176 N 0.69 1.03 -1.55 1.46 3.38 -0.63 -0.54 115.31 119.15 3dho h LEU 176 Ca 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3dho h LEU 176 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3dho h LEU 176 CO 0.00 1.03 -0.18 -0.07 0.09 0.00 0.00 178.44 179.31 3dho h LEU 177 N 1.00 0.00 0.02 1.67 3.38 -0.85 -2.06 115.31 118.46 3dho h LEU 177 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3dho h LEU 177 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dho h LEU 177 CO 0.02 0.18 -0.21 0.44 0.09 0.00 0.00 178.44 178.96 3dho h ASP 178 N 0.00 0.15 0.32 -0.43 3.32 -0.69 -3.38 116.42 115.72 3dho h ASP 178 Ca -0.00 -0.86 -0.16 0.00 0.02 0.00 0.00 57.03 56.02 3dho h ASP 178 Cb 0.53 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3dho h ASP 178 CO 0.02 1.00 -0.66 0.16 -1.72 0.00 0.00 179.24 178.04 3dho h ILE 179 N -0.67 1.39 -6.52 0.35 3.07 -1.03 -3.48 117.51 110.61 3dho h ILE 179 Ca -0.03 -2.07 -0.47 0.00 1.55 0.00 0.00 64.86 63.84 3dho h ILE 179 Cb 1.04 2.06 0.02 0.00 -0.27 0.00 0.00 36.82 39.67 3dho h ILE 179 CO 0.04 0.62 -0.93 0.29 -1.05 0.00 0.00 178.15 177.12 3dho n LYS 180 N -3.85 -0.99 0.13 0.16 5.02 -0.78 -4.83 118.16 113.02 3dho n LYS 180 Ca -0.03 0.50 0.15 0.00 -2.02 0.00 0.00 58.31 56.91 3dho n LYS 180 Cb 0.66 -3.25 0.69 0.00 -0.02 0.00 0.00 35.03 33.11 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 -1.51 0.00 0.00 2.13 5.08 -1.93 -1.56 115.95 118.17 3dho h TRP 181 Ca -0.62 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.35 3dho h TRP 181 Cb 1.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.52 3dho h TRP 181 CO 0.31 0.00 0.00 0.11 -1.28 0.00 0.00 178.44 177.58 3dho h TRP 182 N 0.00 0.00 0.00 0.12 0.09 -1.97 -2.08 115.95 112.12 3dho h TRP 182 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.11 3dho h TRP 182 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.77 3dho h TRP 182 CO 0.00 0.00 -0.34 0.09 0.09 0.00 0.00 178.44 178.28 3dho n ASN 183 N -2.76 0.41 -4.77 0.11 3.02 -0.58 -4.91 115.26 105.77 3dho n ASN 183 Ca -0.01 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.27 3dho n ASN 183 Cb 0.16 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.04 2.77 0.47 3.10 0.51 -0.78 -4.98 118.94 116.99 3dho s TRP 184 Ca 0.11 1.52 -0.22 0.00 -2.12 0.00 0.00 56.10 55.38 3dho s TRP 184 Cb 0.17 -3.43 -0.09 0.00 -0.81 0.00 0.00 33.47 29.31 3dho s TRP 184 CO 0.65 -1.71 0.91 -2.30 -0.51 0.00 0.00 176.95 173.99 3dho n PRO 185 N -0.65 1.10 0.24 4.98 -0.02 -1.26 -4.68 135.00 134.72 3dho n PRO 185 Ca 0.08 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3dho n PRO 185 Cb 0.48 -1.98 0.58 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.13 0.96 0.00 4.25 6.09 -1.96 0.75 117.51 128.73 3dho h ILE 186 Ca -0.45 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.49 3dho h ILE 186 Cb 1.35 1.31 0.00 0.00 0.47 0.00 0.00 36.82 39.96 3dho h ILE 186 CO 0.54 0.15 0.00 -0.90 -3.07 0.00 0.00 178.15 174.87 3dho n ASP 187 N -4.13 0.05 -0.09 2.19 3.85 -1.26 -0.44 116.55 116.72 3dho n ASP 187 Ca -0.02 0.51 -0.23 0.00 -0.71 0.00 0.00 54.79 54.34 3dho n ASP 187 Cb 0.23 -0.52 -0.12 0.00 -1.35 0.00 0.00 41.12 39.36 3dho n ASP 187 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3dho n ILE 188 N -1.55 1.60 -0.24 2.12 5.41 0.11 -4.38 119.36 122.43 3dho n ILE 188 Ca 0.04 -0.35 0.04 0.00 1.00 0.00 0.00 62.75 63.48 3dho n ILE 188 Cb 0.19 -1.84 0.16 0.00 -0.71 0.00 0.00 39.64 37.44 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 0.64 -0.99 1.39 2.04 -0.94 -2.38 117.51 116.69 3dho h ILE 189 Ca -0.48 -0.13 0.27 0.00 1.00 0.00 0.00 64.86 65.52 3dho h ILE 189 Cb 1.65 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3dho h ILE 189 CO -0.16 0.07 0.68 -1.13 0.00 0.00 0.00 178.15 177.61 3dho h ASN 190 N 0.37 0.20 -0.01 1.72 -1.24 -0.96 0.22 115.58 115.88 3dho h ASN 190 Ca 0.38 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.42 3dho h ASN 190 Cb 0.58 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3dho h ASN 190 CO -0.41 0.06 0.00 -0.62 -1.29 0.00 0.00 177.43 175.16 3dho n GLU 191 N -4.39 1.35 0.00 6.67 -0.58 -0.90 -4.04 120.64 118.75 3dho n GLU 191 Ca 0.22 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 3dho n GLU 191 Cb 0.94 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.37 0.48 -0.21 1.62 3.02 0.71 -4.89 115.26 115.61 3dho n ASN 192 Ca 0.21 -1.18 -0.02 0.00 -0.03 0.00 0.00 54.58 53.56 3dho n ASN 192 Cb 0.24 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.50 3dho n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dho h ILE 193 N 1.56 0.91 -0.90 2.41 2.04 -1.54 -1.25 117.51 120.74 3dho h ILE 193 Ca 0.00 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3dho h ILE 193 Cb 0.66 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3dho h ILE 193 CO 0.00 0.11 0.59 0.44 0.00 0.00 0.00 178.15 179.28 3dho h ASP 194 N 0.58 0.92 0.86 1.72 3.32 -1.90 -0.34 116.42 121.58 3dho h ASP 194 Ca 0.29 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 3dho h ASP 194 Cb 0.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3dho h ASP 194 CO -0.21 0.60 -0.78 0.11 -1.72 0.00 0.00 179.24 177.23 3dho h LYS 195 N 1.05 0.00 -0.41 3.56 1.57 -1.68 -2.22 116.57 118.43 3dho h LYS 195 Ca 0.38 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 3dho h LYS 195 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3dho h LYS 195 CO -0.14 0.78 -0.25 0.82 -0.57 0.00 0.00 179.45 180.09 3dho h ILE 196 N 0.00 1.27 0.00 1.86 2.04 -0.81 -1.42 117.51 120.46 3dho h ILE 196 Ca -0.01 -1.40 -0.10 0.00 1.00 0.00 0.00 64.86 64.36 3dho h ILE 196 Cb 1.43 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3dho h ILE 196 CO 0.10 0.47 -0.46 -0.07 0.00 0.00 0.00 178.15 178.19 3dho h LEU 197 N 0.73 0.00 -2.08 1.44 3.38 -0.87 -3.24 115.31 114.67 3dho h LEU 197 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dho h LEU 197 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3dho h LEU 197 CO 0.07 0.46 0.00 -0.90 0.09 0.00 0.00 178.44 178.16 3dho n ASP 198 N -3.73 2.53 0.00 -0.43 5.68 -0.85 -4.99 116.55 114.76 3dho n ASP 198 Ca -0.01 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 3dho n ASP 198 Cb 0.53 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.73 -0.94 0.00 -1.12 4.13 -0.63 -4.87 115.26 112.57 3dho n ASN 199 Ca 0.10 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.47 3dho n ASN 199 Cb 0.39 -0.90 0.50 0.00 -1.54 0.00 0.00 39.78 38.23 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 -0.07 0.00 0.12 6.41 3.41 -0.85 -3.17 113.62 119.47 3dho n SER 200 Ca 0.00 0.34 0.19 0.00 -0.26 0.00 0.00 58.87 59.13 3dho n SER 200 Cb 0.04 -0.43 0.76 0.00 -0.26 0.00 0.00 64.21 64.31 3dho n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3dho h ILE 201 N 0.00 0.50 -3.14 -1.33 6.09 -1.64 -3.42 117.51 114.58 3dho h ILE 201 Ca 0.00 0.00 -0.53 0.00 -1.37 0.00 0.00 64.86 62.96 3dho h ILE 201 Cb 0.33 0.74 0.07 0.00 0.47 0.00 0.00 36.82 38.43 3dho h ILE 201 CO 0.00 0.00 0.88 0.27 -3.07 0.00 0.00 178.15 176.23 3dho s ILE 202 N -4.72 2.26 -0.98 2.19 -4.36 -1.19 -5.05 121.20 109.35 3dho s ILE 202 Ca -0.05 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.55 3dho s ILE 202 Cb 0.16 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.74 3dho s ILE 202 CO 0.59 0.03 0.25 -2.11 0.24 0.00 0.00 174.94 173.93