#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdm s VAL 4 N 0.00 1.50 0.05 -4.37 1.01 -1.26 -5.02 120.40 112.31 1hdm s VAL 4 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1hdm s VAL 4 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1hdm s VAL 4 CO 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 175.10 175.07 1hdm s ALA 5 N -0.96 0.60 0.15 5.51 0.00 -1.26 -1.56 121.76 124.24 1hdm s ALA 5 Ca 0.05 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1hdm s ALA 5 Cb -0.09 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1hdm s ALA 5 CO 0.02 -0.10 -0.12 -1.01 0.00 0.00 0.00 175.76 174.55 1hdm s HIS 6 N -2.03 1.40 -0.43 0.00 3.76 -0.57 -4.99 115.29 112.44 1hdm s HIS 6 Ca -0.05 -0.66 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 1hdm s HIS 6 Cb -0.06 -0.70 0.17 0.00 1.11 0.00 0.00 32.58 33.11 1hdm s HIS 6 CO -0.02 0.17 0.46 0.08 -0.85 0.00 0.00 174.74 174.58 1hdm s VAL 7 N -2.93 -0.23 -0.15 -0.90 1.01 -1.26 -2.28 120.40 113.66 1hdm s VAL 7 Ca 0.16 -1.73 -0.07 0.00 0.00 0.00 0.00 61.98 60.34 1hdm s VAL 7 Cb -0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1hdm s VAL 7 CO 0.03 -0.71 0.08 -0.70 0.00 0.00 0.00 175.10 173.80 1hdm s GLU 8 N 0.65 3.72 0.01 2.72 2.12 -0.50 -4.95 118.70 122.48 1hdm s GLU 8 Ca 0.28 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.41 1hdm s GLU 8 Cb -0.02 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 1hdm s GLU 8 CO -0.11 0.48 -0.23 -1.12 -0.54 0.00 0.00 175.26 173.74 1hdm s SER 9 N -0.19 3.37 0.05 -1.70 0.01 -1.26 -1.03 113.70 112.96 1hdm s SER 9 Ca 0.09 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.90 1hdm s SER 9 Cb -0.12 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 1hdm s SER 9 CO 0.01 0.29 -0.09 0.42 0.41 0.00 0.00 173.24 174.28 1hdm s THR 10 N -0.76 0.63 -0.10 1.44 -4.23 -0.47 -4.95 115.64 107.20 1hdm s THR 10 Ca 0.12 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1hdm s THR 10 Cb -0.10 -0.76 0.02 0.00 1.34 0.00 0.00 72.50 73.00 1hdm s THR 10 CO 0.02 -0.40 -0.09 0.00 -0.54 0.00 0.00 174.62 173.61 1hdm s LEU 12 N 1.38 5.16 0.05 0.00 2.96 0.73 -4.98 118.68 123.97 1hdm s LEU 12 Ca -0.01 -1.03 0.07 0.00 -0.22 0.00 0.00 54.13 52.94 1hdm s LEU 12 Cb -0.14 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1hdm s LEU 12 CO -0.04 -0.49 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.53 1hdm s LEU 13 N 1.64 2.18 0.94 -0.68 1.02 -1.26 0.17 118.68 122.69 1hdm s LEU 13 Ca 0.04 -0.54 -0.15 0.00 0.02 0.00 0.00 54.13 53.50 1hdm s LEU 13 Cb -0.20 -0.99 0.19 0.00 0.02 0.00 0.00 46.19 45.21 1hdm s LEU 13 CO 0.08 0.16 1.30 1.51 0.02 0.00 0.00 176.35 179.43 1hdm s ASP 14 N -1.24 3.24 0.33 2.29 -4.77 -0.26 -4.85 116.67 111.42 1hdm s ASP 14 Ca 0.08 0.27 0.11 0.00 -3.30 0.00 0.00 52.55 49.70 1hdm s ASP 14 Cb -0.09 -0.34 0.91 0.00 -1.09 0.00 0.00 42.92 42.31 1hdm s ASP 14 CO 0.02 -2.66 1.74 0.44 0.70 0.00 0.00 175.17 175.42 1hdm h ASP 15 N -1.57 0.64 0.06 2.11 3.45 -1.99 0.47 116.42 119.59 1hdm h ASP 15 Ca -0.44 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.14 1hdm h ASP 15 Cb 1.24 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 1hdm h ASP 15 CO 0.39 0.12 0.00 0.00 -1.57 0.00 0.00 179.24 178.19 1hdm n ALA 16 N -2.35 2.46 -0.86 3.45 0.00 -1.26 -4.86 120.51 117.09 1hdm n ALA 16 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1hdm n ALA 16 Cb 0.75 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1hdm n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hdm n GLY 17 N 0.68 0.52 3.66 0.00 0.00 0.16 -5.02 105.19 105.19 1hdm n GLY 17 Ca 0.19 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1hdm n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hdm s THR 18 N -2.00 4.86 -0.01 2.61 2.01 -1.26 -4.81 115.64 117.04 1hdm s THR 18 Ca 0.00 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 1hdm s THR 18 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1hdm s THR 18 CO 0.00 -0.01 1.58 -2.16 -0.69 0.00 0.00 174.62 173.34 1hdm s PRO 19 N 2.42 4.21 -0.16 4.92 0.04 -1.26 -1.10 135.00 144.08 1hdm s PRO 19 Ca 0.37 2.16 0.14 0.00 0.04 0.00 0.00 61.00 63.71 1hdm s PRO 19 Cb -0.16 -3.77 -0.20 0.00 0.04 0.00 0.00 34.50 30.41 1hdm s PRO 19 CO 0.10 -0.75 0.06 1.63 0.04 0.00 0.00 177.00 178.08 1hdm n LYS 20 N 6.27 1.41 -3.46 4.56 4.01 0.46 -4.96 118.16 126.46 1hdm n LYS 20 Ca 0.16 -0.01 -0.11 0.00 -0.51 0.00 0.00 58.31 57.84 1hdm n LYS 20 Cb 0.42 -1.41 -0.02 0.00 -0.51 0.00 0.00 35.03 33.51 1hdm n LYS 20 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1hdm s ASP 21 N -4.94 -0.51 -0.05 4.39 2.15 -0.89 -4.97 116.67 111.85 1hdm s ASP 21 Ca -0.08 0.07 -0.09 0.00 0.43 0.00 0.00 52.55 52.88 1hdm s ASP 21 Cb 0.05 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 43.21 1hdm s ASP 21 CO 0.65 -0.82 0.22 0.12 -0.17 0.00 0.00 175.17 175.16 1hdm s PHE 22 N -3.28 -0.15 0.04 -5.34 5.36 -1.26 -0.19 117.98 113.16 1hdm s PHE 22 Ca 0.01 0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 1hdm s PHE 22 Cb -0.01 0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.70 1hdm s PHE 22 CO -0.10 -0.22 -0.08 0.99 -1.46 0.00 0.00 175.22 174.35 1hdm s THR 23 N -0.60 0.60 -0.30 0.12 2.01 -0.06 -4.95 115.64 112.45 1hdm s THR 23 Ca -0.07 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1hdm s THR 23 Cb -0.04 -0.65 0.14 0.00 0.01 0.00 0.00 72.50 71.97 1hdm s THR 23 CO 0.01 -0.34 0.33 -0.47 -0.69 0.00 0.00 174.62 173.47 1hdm s TYR 24 N -1.31 -0.60 0.13 4.92 6.14 -1.26 -1.37 117.35 124.01 1hdm s TYR 24 Ca -0.09 -0.10 0.09 0.00 0.64 0.00 0.00 57.07 57.62 1hdm s TYR 24 Cb -0.10 -0.38 -0.04 0.00 0.42 0.00 0.00 41.96 41.87 1hdm s TYR 24 CO 0.01 -0.94 -0.22 0.00 0.64 0.00 0.00 175.55 175.03 1hdm s ILE 26 N -1.41 2.96 0.03 0.00 -1.09 0.18 -1.40 121.20 120.47 1hdm s ILE 26 Ca 0.12 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1hdm s ILE 26 Cb -0.09 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 1hdm s ILE 26 CO 0.06 0.54 0.08 -0.44 -1.23 0.00 0.00 174.94 173.95 1hdm s SER 27 N -0.88 0.19 -0.01 3.58 0.01 -0.96 -0.91 113.70 114.71 1hdm s SER 27 Ca 0.12 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 1hdm s SER 27 Cb -0.11 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.35 1hdm s SER 27 CO 0.02 -0.49 0.03 0.12 0.41 0.00 0.00 173.24 173.33 1hdm s PHE 28 N -2.49 -0.02 -1.48 2.43 5.36 -0.84 -1.50 117.98 119.42 1hdm s PHE 28 Ca -0.06 0.09 -0.12 0.00 -0.96 0.00 0.00 56.93 55.89 1hdm s PHE 28 Cb -0.02 -0.03 0.07 0.00 -0.34 0.00 0.00 43.02 42.70 1hdm s PHE 28 CO -0.04 -0.03 0.89 -1.71 -1.46 0.00 0.00 175.22 172.87 1hdm n ASN 29 N 3.28 -5.01 -2.87 6.13 5.15 -0.60 -1.43 115.26 119.92 1hdm n ASN 29 Ca -0.15 -0.64 -0.21 0.00 -0.60 0.00 0.00 54.58 52.98 1hdm n ASN 29 Cb 0.58 -4.01 0.04 0.00 -0.53 0.00 0.00 39.78 35.86 1hdm n ASN 29 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1hdm n LYS 30 N -4.51 -4.73 -4.03 1.20 4.81 -1.26 -4.99 118.16 104.65 1hdm n LYS 30 Ca 0.01 0.86 -0.31 0.00 -0.87 0.00 0.00 58.31 58.01 1hdm n LYS 30 Cb 0.54 -5.62 -0.16 0.00 0.02 0.00 0.00 35.03 29.81 1hdm n LYS 30 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1hdm s ASP 31 N -2.74 3.03 -0.45 3.14 -1.08 -0.51 -5.08 116.67 112.98 1hdm s ASP 31 Ca 0.29 -0.66 -0.28 0.00 -0.52 0.00 0.00 52.55 51.38 1hdm s ASP 31 Cb -0.13 -1.26 0.00 0.00 -1.46 0.00 0.00 42.92 40.07 1hdm s ASP 31 CO 0.36 -0.08 1.55 -0.22 0.52 0.00 0.00 175.17 177.30 1hdm s LEU 32 N 1.41 3.49 -0.17 -1.34 2.96 -1.26 -1.99 118.68 121.78 1hdm s LEU 32 Ca 0.03 0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 54.55 1hdm s LEU 32 Cb -0.14 -3.33 -0.11 0.00 0.50 0.00 0.00 46.19 43.11 1hdm s LEU 32 CO -0.10 -1.65 0.04 -0.07 -1.32 0.00 0.00 176.35 173.24 1hdm h LEU 33 N 13.16 0.00 -7.90 -0.68 3.38 -1.39 -3.42 115.31 118.46 1hdm h LEU 33 Ca -0.29 -0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.21 1hdm h LEU 33 Cb 1.12 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.63 1hdm h LEU 33 CO 1.11 1.12 -0.71 0.28 0.09 0.00 0.00 178.44 180.32 1hdm s THR 34 N -2.28 0.12 0.07 0.22 -1.32 -0.93 0.37 115.64 111.89 1hdm s THR 34 Ca -0.21 -0.55 0.02 0.00 -1.21 0.00 0.00 61.69 59.74 1hdm s THR 34 Cb 0.04 -0.20 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 1hdm s THR 34 CO 0.41 -0.27 -0.08 0.00 -2.21 0.00 0.00 174.62 172.46 1hdm s TRP 36 N -2.34 3.25 -0.39 0.00 -0.11 -0.62 -0.59 118.94 118.14 1hdm s TRP 36 Ca 0.00 1.13 -0.12 0.00 1.22 0.00 0.00 56.10 58.34 1hdm s TRP 36 Cb -0.03 -3.51 0.03 0.00 -1.50 0.00 0.00 33.47 28.46 1hdm s TRP 36 CO -0.01 -1.70 0.24 0.34 -4.62 0.00 0.00 176.95 171.19 1hdm s ASP 37 N 1.30 5.81 0.19 5.86 -1.08 -0.20 -4.81 116.67 123.73 1hdm s ASP 37 Ca 0.60 -1.04 -0.11 0.00 -0.52 0.00 0.00 52.55 51.48 1hdm s ASP 37 Cb -0.30 -2.05 0.11 0.00 -1.46 0.00 0.00 42.92 39.22 1hdm s ASP 37 CO 0.28 -0.42 1.79 -0.65 0.52 0.00 0.00 175.17 176.68 1hdm h PRO 38 N 8.48 0.96 -0.52 4.34 0.11 -1.95 0.17 132.00 143.59 1hdm h PRO 38 Ca -0.26 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1hdm h PRO 38 Cb 1.10 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 1hdm h PRO 38 CO 0.70 0.75 0.33 0.93 -0.21 0.00 0.00 178.00 180.50 1hdm h GLU 39 N 0.93 0.70 -0.01 1.05 4.39 -1.96 -2.43 114.58 117.25 1hdm h GLU 39 Ca 0.23 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1hdm h GLU 39 Cb 0.09 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1hdm h GLU 39 CO -0.03 0.48 -0.08 0.39 -1.16 0.00 0.00 179.01 178.61 1hdm n GLU 40 N -4.70 1.41 -3.98 2.33 -0.58 -1.17 -4.97 120.64 108.98 1hdm n GLU 40 Ca 0.03 -0.83 -0.34 0.00 -0.42 0.00 0.00 57.16 55.60 1hdm n GLU 40 Cb 0.03 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 1hdm n GLU 40 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1hdm n ASN 41 N -0.07 -2.42 -3.58 1.62 5.03 0.57 -4.95 115.26 111.46 1hdm n ASN 41 Ca 0.17 -1.14 -0.05 0.00 0.87 0.00 0.00 54.58 54.43 1hdm n ASN 41 Cb 0.36 -2.52 -0.02 0.00 -1.02 0.00 0.00 39.78 36.58 1hdm n ASN 41 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1hdm s LYS 42 N -6.79 0.42 -0.05 3.52 -2.85 -1.06 -5.00 119.74 107.94 1hdm s LYS 42 Ca 0.26 -0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 1hdm s LYS 42 Cb -0.12 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 1hdm s LYS 42 CO 0.92 -0.19 1.27 -1.64 0.10 0.00 0.00 175.35 175.82 1hdm s MET 43 N -2.56 4.32 -0.03 1.78 -1.94 -1.26 -1.04 119.30 118.57 1hdm s MET 43 Ca 0.09 1.76 0.07 0.00 -1.71 0.00 0.00 55.69 55.90 1hdm s MET 43 Cb -0.01 -3.58 -0.02 0.00 2.01 0.00 0.00 34.83 33.24 1hdm s MET 43 CO -0.05 -0.51 -0.25 0.00 -0.01 0.00 0.00 175.02 174.20 1hdm s ALA 44 N 2.37 2.19 0.56 3.03 0.00 0.24 -4.75 121.76 125.40 1hdm s ALA 44 Ca 0.58 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 1hdm s ALA 44 Cb -0.26 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1hdm s ALA 44 CO 0.23 0.50 1.19 -2.30 0.00 0.00 0.00 175.76 175.38 1hdm n PRO 45 N 2.56 1.35 0.00 0.00 -0.02 -1.26 -1.87 135.00 135.76 1hdm n PRO 45 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1hdm n PRO 45 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1hdm n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hdm n ASN 47 N -0.34 0.52 -0.04 0.00 5.15 -1.26 -4.97 115.26 114.33 1hdm n ASN 47 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1hdm n ASN 47 Cb 0.02 0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.26 1hdm n ASN 47 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1hdm h SER 48 N 0.00 0.21 -0.26 1.20 4.64 -2.02 -1.54 113.55 115.78 1hdm h SER 48 Ca 0.00 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 1hdm h SER 48 Cb 0.11 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1hdm h SER 48 CO 0.00 0.44 0.08 0.25 -0.87 0.00 0.00 176.83 176.72 1hdm h LEU 49 N -0.03 0.07 -0.83 5.97 6.46 -2.01 0.17 115.31 125.10 1hdm h LEU 49 Ca 0.04 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 1hdm h LEU 49 Cb 0.32 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.21 1hdm h LEU 49 CO 0.00 0.07 0.47 0.00 -0.62 0.00 0.00 178.44 178.37 1hdm h ALA 50 N 1.17 1.20 -0.15 1.25 0.00 -1.85 0.13 119.26 121.01 1hdm h ALA 50 Ca 0.12 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1hdm h ALA 50 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hdm h ALA 50 CO -0.13 0.07 -0.29 -0.91 0.00 0.00 0.00 179.25 177.99 1hdm h ASN 51 N 0.77 0.51 -0.96 0.00 2.35 -0.41 -1.85 115.58 115.98 1hdm h ASN 51 Ca 0.41 -0.55 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1hdm h ASN 51 Cb 0.41 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 1hdm h ASN 51 CO -0.27 0.97 0.62 0.58 -1.65 0.00 0.00 177.43 177.68 1hdm h VAL 52 N 0.07 1.14 -0.08 2.81 2.07 -0.13 -1.38 116.25 120.76 1hdm h VAL 52 Ca 0.01 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 1hdm h VAL 52 Cb 0.88 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1hdm h VAL 52 CO 0.06 0.22 -0.54 -0.07 0.02 0.00 0.00 177.57 177.26 1hdm h LEU 53 N 1.19 0.25 -0.23 2.57 3.38 -0.70 0.48 115.31 122.24 1hdm h LEU 53 Ca 0.39 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 1hdm h LEU 53 Cb 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1hdm h LEU 53 CO -0.13 0.74 -0.85 0.28 0.09 0.00 0.00 178.44 178.57 1hdm h SER 54 N 0.18 0.63 -0.13 -0.43 0.02 -0.89 -2.55 113.55 110.38 1hdm h SER 54 Ca 0.00 -0.45 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 1hdm h SER 54 Cb 1.01 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.36 1hdm h SER 54 CO 0.08 1.23 -0.49 -0.61 -1.14 0.00 0.00 176.83 175.91 1hdm h GLN 55 N 0.32 0.56 -0.81 3.45 4.15 -1.20 0.26 115.11 121.84 1hdm h GLN 55 Ca -0.06 -0.43 0.06 0.00 0.77 0.00 0.00 58.65 58.99 1hdm h GLN 55 Cb 1.46 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 29.18 1hdm h GLN 55 CO 0.15 1.05 0.53 1.25 -1.93 0.00 0.00 178.83 179.89 1hdm h HIS 56 N 0.18 0.92 0.00 3.99 2.76 -0.92 -1.70 115.15 120.38 1hdm h HIS 56 Ca -0.02 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1hdm h HIS 56 Cb 1.12 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1hdm h HIS 56 CO 0.11 0.50 -0.68 -0.07 -1.30 0.00 0.00 177.93 176.48 1hdm h LEU 57 N 0.92 0.00 -0.02 0.26 3.38 -1.42 -3.28 115.31 115.15 1hdm h LEU 57 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1hdm h LEU 57 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1hdm h LEU 57 CO -0.12 0.20 0.00 0.59 0.09 0.00 0.00 178.44 179.20 1hdm n ASN 58 N -2.95 0.08 -0.01 -0.43 3.02 0.08 -2.77 115.26 112.28 1hdm n ASN 58 Ca -0.00 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.18 1hdm n ASN 58 Cb 0.63 -0.53 0.29 0.00 -0.61 0.00 0.00 39.78 39.56 1hdm n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hdm n GLN 59 N -1.58 0.05 -3.22 3.52 3.00 -1.03 -4.71 117.38 113.40 1hdm n GLN 59 Ca 0.06 -0.03 -0.45 0.00 -0.01 0.00 0.00 57.00 56.58 1hdm n GLN 59 Cb 0.30 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.98 1hdm n GLN 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1hdm s LYS 60 N -2.97 3.05 0.46 -1.09 -0.14 -1.11 -4.93 119.74 113.01 1hdm s LYS 60 Ca 0.12 -1.25 0.16 0.00 -1.36 0.00 0.00 55.97 53.64 1hdm s LYS 60 Cb 0.18 -4.19 1.07 0.00 -1.68 0.00 0.00 37.83 33.21 1hdm s LYS 60 CO 0.68 -1.29 2.01 0.22 -0.76 0.00 0.00 175.35 176.21 1hdm h ASP 61 N 8.98 0.00 -0.21 2.83 -0.00 -1.87 -2.40 116.42 123.75 1hdm h ASP 61 Ca -0.29 0.00 0.04 0.00 -0.00 0.00 0.00 57.03 56.79 1hdm h ASP 61 Cb 1.10 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.39 1hdm h ASP 61 CO 1.00 0.16 -0.05 0.74 -0.00 0.00 0.00 179.24 181.09 1hdm h THR 62 N 0.00 0.79 -0.21 2.25 2.02 -1.96 -0.65 112.91 115.16 1hdm h THR 62 Ca -0.00 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1hdm h THR 62 Cb 0.29 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1hdm h THR 62 CO 0.02 0.00 0.03 0.25 0.37 0.00 0.00 175.52 176.19 1hdm h LEU 63 N 0.00 0.34 -0.75 2.58 5.85 -1.81 -1.77 115.31 119.75 1hdm h LEU 63 Ca 0.10 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.67 1hdm h LEU 63 Cb 0.15 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1hdm h LEU 63 CO -0.22 0.53 0.35 0.24 -0.34 0.00 0.00 178.44 179.00 1hdm h MET 64 N 0.14 0.53 0.00 1.25 2.86 -1.03 0.26 114.93 118.94 1hdm h MET 64 Ca 0.06 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1hdm h MET 64 Cb 0.34 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1hdm h MET 64 CO 0.01 0.35 -0.55 0.37 1.06 0.00 0.00 176.91 178.15 1hdm h GLN 65 N 0.55 0.00 -0.17 1.72 4.15 -1.07 -3.17 115.11 117.12 1hdm h GLN 65 Ca 0.39 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.67 1hdm h GLN 65 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1hdm h GLN 65 CO -0.33 0.55 -0.45 -0.09 -1.93 0.00 0.00 178.83 176.57 1hdm h ARG 66 N 0.00 0.61 -2.09 1.69 2.43 -0.09 -3.06 114.38 113.87 1hdm h ARG 66 Ca -0.01 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1hdm h ARG 66 Cb 1.06 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1hdm h ARG 66 CO 0.07 1.04 -0.01 1.28 -1.51 0.00 0.00 179.97 180.85 1hdm n LEU 67 N -4.22 3.20 0.00 3.80 4.77 0.73 -2.36 117.00 122.93 1hdm n LEU 67 Ca -0.07 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1hdm n LEU 67 Cb 0.57 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1hdm n LEU 67 CO 0.46 0.65 0.00 0.59 -1.33 0.00 0.00 177.39 177.77 1hdm n ASN 68 N 1.92 0.00 -0.31 -1.43 4.13 -1.16 -4.65 115.26 113.76 1hdm n ASN 68 Ca 0.06 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.40 1hdm n ASN 68 Cb 0.36 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.79 1hdm n ASN 68 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1hdm h GLY 69 N 0.00 0.94 1.63 7.41 0.00 -1.78 -1.20 103.07 110.07 1hdm h GLY 69 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 1hdm h GLY 69 CO 0.00 -0.39 -0.41 1.41 0.00 0.00 0.00 176.54 177.15 1hdm h LEU 70 N 0.04 0.43 -0.37 3.11 3.38 -1.91 -2.47 115.31 117.52 1hdm h LEU 70 Ca 0.49 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 1hdm h LEU 70 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1hdm h LEU 70 CO -0.85 0.79 -0.81 -0.61 0.09 0.00 0.00 178.44 177.06 1hdm h GLN 71 N 0.34 0.24 -0.37 1.13 5.75 -1.68 -2.95 115.11 117.57 1hdm h GLN 71 Ca 0.03 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 1hdm h GLN 71 Cb 0.87 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 1hdm h GLN 71 CO 0.07 0.93 0.13 -0.91 -2.65 0.00 0.00 178.83 176.40 1hdm h ASN 72 N 0.15 0.52 -0.52 -0.69 -0.26 -1.17 -1.36 115.58 112.26 1hdm h ASN 72 Ca -0.04 -0.19 0.09 0.00 -0.56 0.00 0.00 56.30 55.60 1hdm h ASN 72 Cb 1.40 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 38.45 1hdm h ASN 72 CO 0.13 0.57 0.12 0.00 -1.06 0.00 0.00 177.43 177.18 1hdm h ALA 74 N 1.40 -0.79 -0.51 0.00 0.00 -1.32 -2.36 119.26 115.69 1hdm h ALA 74 Ca 0.26 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1hdm h ALA 74 Cb 0.36 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1hdm h ALA 74 CO -0.33 -0.88 0.12 1.79 0.00 0.00 0.00 179.25 179.95 1hdm h THR 75 N -0.92 1.24 -0.28 0.00 1.35 -1.07 -0.90 112.91 112.33 1hdm h THR 75 Ca -0.08 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 1hdm h THR 75 Cb 0.65 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1hdm h THR 75 CO 0.13 0.31 0.16 -0.74 -0.25 0.00 0.00 175.52 175.13 1hdm h HIS 76 N 0.70 0.39 0.00 4.73 6.17 -0.84 -3.08 115.15 123.22 1hdm h HIS 76 Ca 0.16 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1hdm h HIS 76 Cb 0.33 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.14 1hdm h HIS 76 CO 0.02 0.32 -0.10 1.79 0.71 0.00 0.00 177.93 180.67 1hdm h THR 77 N 0.34 0.06 -0.87 6.26 1.35 -1.41 -3.38 112.91 115.27 1hdm h THR 77 Ca 0.10 -1.08 0.23 0.00 -0.55 0.00 0.00 66.41 65.10 1hdm h THR 77 Cb 0.06 2.00 -0.14 0.00 -1.73 0.00 0.00 68.15 68.34 1hdm h THR 77 CO -0.02 0.03 0.20 -0.61 -0.25 0.00 0.00 175.52 174.88 1hdm h GLN 78 N 0.00 0.18 0.00 4.72 -0.00 -1.06 0.39 115.11 119.34 1hdm h GLN 78 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1hdm h GLN 78 Cb 1.03 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.47 1hdm h GLN 78 CO 0.00 0.12 -0.04 -1.00 0.00 0.00 0.00 178.83 177.92 1hdm h PRO 79 N 0.19 0.00 0.00 -2.39 0.13 -1.75 -3.35 132.00 124.83 1hdm h PRO 79 Ca 0.54 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.66 1hdm h PRO 79 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1hdm h PRO 79 CO -0.67 0.04 -1.06 1.97 -0.23 0.00 0.00 178.00 178.05 1hdm n PHE 80 N -4.44 0.00 -0.34 1.56 1.16 -0.17 -4.82 117.46 110.42 1hdm n PHE 80 Ca -0.03 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.68 1hdm n PHE 80 Cb 0.12 -0.03 0.27 0.00 -1.61 0.00 0.00 39.48 38.23 1hdm n PHE 80 CO 0.00 0.00 0.00 1.87 -1.87 0.00 0.00 176.76 176.76 1hdm n TRP 81 N -1.68 0.58 -0.33 2.97 -0.00 0.12 -0.07 117.44 119.03 1hdm n TRP 81 Ca -0.01 1.17 -0.03 0.00 -0.00 0.00 0.00 57.50 58.63 1hdm n TRP 81 Cb 0.17 -1.20 0.09 0.00 -0.00 0.00 0.00 31.31 30.36 1hdm n TRP 81 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1hdm h GLY 82 N 0.00 1.25 2.00 5.87 0.00 -1.84 -1.00 103.07 109.36 1hdm h GLY 82 Ca 0.57 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1hdm h GLY 82 CO -0.92 0.47 -0.11 1.76 0.00 0.00 0.00 176.54 177.74 1hdm h SER 83 N 1.20 0.00 0.07 0.19 0.02 -0.82 -1.87 113.55 112.35 1hdm h SER 83 Ca 0.32 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1hdm h SER 83 Cb -0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1hdm h SER 83 CO -0.07 0.11 -0.79 -0.07 -1.14 0.00 0.00 176.83 174.88 1hdm h LEU 84 N 0.00 0.22 -0.14 5.07 3.38 -0.99 -3.08 115.31 119.77 1hdm h LEU 84 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1hdm h LEU 84 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1hdm h LEU 84 CO 0.01 1.34 0.00 0.35 0.09 0.00 0.00 178.44 180.24 1hdm n THR 85 N -4.28 0.71 0.70 0.22 -2.24 -0.47 -2.42 114.28 106.50 1hdm n THR 85 Ca -0.19 0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1hdm n THR 85 Cb 0.71 -0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1hdm n THR 85 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hdm n ASN 86 N -1.71 1.62 -4.72 3.42 5.03 -0.71 -5.00 115.26 113.18 1hdm n ASN 86 Ca 0.04 -1.31 -0.42 0.00 0.87 0.00 0.00 54.58 53.76 1hdm n ASN 86 Cb 0.24 0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 39.43 1hdm n ASN 86 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1hdm s ARG 87 N -1.87 4.38 0.07 3.52 3.52 -1.02 -5.03 118.95 122.52 1hdm s ARG 87 Ca 0.13 1.97 -0.13 0.00 -0.13 0.00 0.00 55.73 57.58 1hdm s ARG 87 Cb 0.13 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1hdm s ARG 87 CO 0.40 -0.32 0.29 0.95 -0.81 0.00 0.00 175.30 175.81 1hdm s THR 88 N 0.77 0.09 -0.17 4.11 -4.23 -1.26 -4.40 115.64 110.56 1hdm s THR 88 Ca 0.60 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1hdm s THR 88 Cb -0.34 -1.07 0.08 0.00 1.34 0.00 0.00 72.50 72.51 1hdm s THR 88 CO 0.32 -0.43 0.34 -0.13 -0.54 0.00 0.00 174.62 174.18 1hdm s ARG 89 N -3.06 0.23 0.63 3.99 1.81 0.50 -4.90 118.95 118.15 1hdm s ARG 89 Ca -0.01 0.87 -0.17 0.00 -1.72 0.00 0.00 55.73 54.69 1hdm s ARG 89 Cb 0.01 0.10 -0.01 0.00 -0.45 0.00 0.00 34.95 34.60 1hdm s ARG 89 CO -0.07 -0.29 1.17 -1.25 -0.68 0.00 0.00 175.30 174.19 1hdm s PRO 90 N 2.51 2.80 0.59 3.54 0.04 -1.24 -0.40 135.00 142.83 1hdm s PRO 90 Ca 0.00 1.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 1hdm s PRO 90 Cb -0.12 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1hdm s PRO 90 CO -0.11 -1.31 0.94 -1.25 0.04 0.00 0.00 177.00 175.31 1hdm s PRO 91 N -3.65 3.30 -0.06 0.56 0.04 -1.26 -4.15 135.00 129.78 1hdm s PRO 91 Ca 0.73 0.36 0.03 0.00 0.04 0.00 0.00 61.00 62.16 1hdm s PRO 91 Cb -0.27 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1hdm s PRO 91 CO 0.37 -0.57 -0.13 -1.12 0.04 0.00 0.00 177.00 175.59 1hdm s SER 92 N -4.22 4.11 -0.01 6.66 0.01 -0.47 -4.93 113.70 114.86 1hdm s SER 92 Ca 0.53 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.64 1hdm s SER 92 Cb -0.11 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.17 1hdm s SER 92 CO 0.49 0.33 -0.09 0.54 0.41 0.00 0.00 173.24 174.92 1hdm s VAL 93 N -0.66 0.75 0.01 3.43 0.11 -1.25 -1.49 120.40 121.29 1hdm s VAL 93 Ca 0.10 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1hdm s VAL 93 Cb -0.11 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1hdm s VAL 93 CO 0.01 0.20 0.03 -1.10 -3.33 0.00 0.00 175.10 170.90 1hdm s GLN 94 N -0.26 0.28 -0.06 1.54 -1.52 -0.08 -4.95 119.66 114.62 1hdm s GLN 94 Ca 0.03 -0.39 0.05 0.00 -1.95 0.00 0.00 55.36 53.11 1hdm s GLN 94 Cb -0.04 0.11 -0.01 0.00 -0.22 0.00 0.00 33.01 32.85 1hdm s GLN 94 CO -0.00 -0.05 -0.22 0.08 -0.25 0.00 0.00 175.29 174.84 1hdm s VAL 95 N -1.05 1.83 0.23 1.09 1.01 -1.26 0.56 120.40 122.80 1hdm s VAL 95 Ca -0.12 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1hdm s VAL 95 Cb -0.07 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1hdm s VAL 95 CO -0.00 0.51 0.52 0.00 0.00 0.00 0.00 175.10 176.13 1hdm s ALA 96 N -0.01 -0.64 0.55 5.51 0.00 -0.85 -4.98 121.76 121.33 1hdm s ALA 96 Ca -0.06 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.21 1hdm s ALA 96 Cb -0.14 0.93 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 1hdm s ALA 96 CO 0.04 -0.85 1.01 0.15 0.00 0.00 0.00 175.76 176.11 1hdm s LYS 97 N -3.94 3.72 0.06 0.00 1.02 -1.26 -0.92 119.74 118.41 1hdm s LYS 97 Ca 0.15 1.00 -0.08 0.00 0.02 0.00 0.00 55.97 57.06 1hdm s LYS 97 Cb -0.01 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1hdm s LYS 97 CO 0.03 -0.47 0.17 -0.08 -0.92 0.00 0.00 175.35 174.09 1hdm s THR 98 N -2.65 0.13 -0.28 2.17 -1.32 -0.26 -4.81 115.64 108.62 1hdm s THR 98 Ca 0.60 -1.06 -0.29 0.00 -1.21 0.00 0.00 61.69 59.73 1hdm s THR 98 Cb -0.12 -1.10 -0.07 0.00 -1.51 0.00 0.00 72.50 69.71 1hdm s THR 98 CO 0.36 -0.58 2.25 0.41 -2.21 0.00 0.00 174.62 174.84 1hdm n THR 99 N 0.39 0.26 -1.64 5.08 -1.04 -1.26 -4.24 114.28 111.83 1hdm n THR 99 Ca -0.17 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 60.97 1hdm n THR 99 Cb 0.60 -2.40 0.02 0.00 -1.82 0.00 0.00 70.33 66.73 1hdm n THR 99 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1hdm n PRO 100 N 8.69 1.44 -3.70 -2.82 -0.02 -1.26 -5.01 135.00 132.32 1hdm n PRO 100 Ca 0.33 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 62.19 1hdm n PRO 100 Cb 0.41 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1hdm n PRO 100 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1hdm s PHE 101 N -1.29 -0.36 -1.12 6.00 -0.12 -1.26 -4.95 117.98 114.89 1hdm s PHE 101 Ca 0.65 0.67 -0.16 0.00 -0.05 0.00 0.00 56.93 58.03 1hdm s PHE 101 Cb -0.52 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 1hdm s PHE 101 CO 0.55 -0.40 0.83 -1.71 -0.05 0.00 0.00 175.22 174.44 1hdm n ASN 102 N 1.56 -5.61 -3.61 1.98 4.05 -1.26 -4.97 115.26 107.41 1hdm n ASN 102 Ca -0.19 -0.93 -0.01 0.00 0.45 0.00 0.00 54.58 53.90 1hdm n ASN 102 Cb 0.56 -3.90 -0.01 0.00 1.23 0.00 0.00 39.78 37.66 1hdm n ASN 102 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1hdm s THR 103 N -3.45 0.00 -0.17 -0.44 -1.32 -1.26 -5.02 115.64 103.98 1hdm s THR 103 Ca 0.46 -0.13 0.15 0.00 -1.21 0.00 0.00 61.69 60.96 1hdm s THR 103 Cb -0.14 -1.57 -0.21 0.00 -1.51 0.00 0.00 72.50 69.07 1hdm s THR 103 CO 0.83 0.00 0.39 -2.11 -2.21 0.00 0.00 174.62 171.52 1hdm n ARG 104 N -0.32 0.86 -1.80 7.08 0.00 -1.26 -5.00 116.66 116.22 1hdm n ARG 104 Ca -0.05 -0.10 -0.39 0.00 -0.00 0.00 0.00 57.85 57.31 1hdm n ARG 104 Cb 0.61 -1.32 0.03 0.00 -0.00 0.00 0.00 32.46 31.78 1hdm n ARG 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1hdm s GLU 105 N -2.88 3.45 0.37 2.89 0.41 -1.26 -4.93 118.70 116.75 1hdm s GLU 105 Ca -0.03 2.33 0.26 0.00 -0.41 0.00 0.00 54.97 57.11 1hdm s GLU 105 Cb 0.10 -2.48 0.68 0.00 -1.78 0.00 0.00 34.13 30.65 1hdm s GLU 105 CO 0.61 -0.97 1.72 -1.00 -0.49 0.00 0.00 175.26 175.14 1hdm h PRO 106 N 1.95 0.00 -5.09 0.39 0.13 -1.95 -3.46 132.00 123.97 1hdm h PRO 106 Ca -0.51 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.19 1hdm h PRO 106 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 1hdm h PRO 106 CO 0.59 0.00 -0.79 0.08 -0.23 0.00 0.00 178.00 177.65 1hdm s VAL 107 N -3.25 0.96 -0.06 1.56 1.01 -0.95 -4.93 120.40 114.75 1hdm s VAL 107 Ca 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1hdm s VAL 107 Cb 0.08 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1hdm s VAL 107 CO 0.61 0.14 0.02 -0.32 0.00 0.00 0.00 175.10 175.55 1hdm s MET 108 N -0.63 0.37 0.38 2.72 1.75 -1.26 -0.86 119.30 121.77 1hdm s MET 108 Ca 0.03 0.19 -0.04 0.00 -1.25 0.00 0.00 55.69 54.62 1hdm s MET 108 Cb -0.06 -0.79 -0.04 0.00 2.84 0.00 0.00 34.83 36.78 1hdm s MET 108 CO 0.00 -0.30 0.65 -0.51 -0.65 0.00 0.00 175.02 174.21 1hdm s LEU 109 N 1.96 3.88 -0.07 4.11 1.43 -0.07 -1.10 118.68 128.82 1hdm s LEU 109 Ca 0.04 0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1hdm s LEU 109 Cb -0.12 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1hdm s LEU 109 CO -0.04 -0.37 0.03 0.00 0.23 0.00 0.00 176.35 176.20 1hdm s ALA 110 N -2.39 0.53 -0.35 4.21 0.00 -0.09 -1.95 121.76 121.72 1hdm s ALA 110 Ca 0.45 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 1hdm s ALA 110 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1hdm s ALA 110 CO 0.36 -0.53 0.27 0.00 0.00 0.00 0.00 175.76 175.86 1hdm s TYR 112 N 1.77 3.47 -0.16 0.00 1.51 0.19 -2.04 117.35 122.08 1hdm s TYR 112 Ca 0.07 0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 56.68 1hdm s TYR 112 Cb -0.17 -2.28 0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1hdm s TYR 112 CO 0.11 0.29 -0.06 0.08 -1.11 0.00 0.00 175.55 174.87 1hdm s VAL 113 N 0.29 1.11 0.21 0.71 1.01 -0.85 -0.90 120.40 121.98 1hdm s VAL 113 Ca 0.15 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1hdm s VAL 113 Cb -0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1hdm s VAL 113 CO 0.03 0.16 0.12 -1.66 0.00 0.00 0.00 175.10 173.74 1hdm s TRP 114 N 1.64 1.24 -0.61 5.22 -2.14 -0.56 -0.69 118.94 123.04 1hdm s TRP 114 Ca 0.01 -1.32 0.00 0.00 2.66 0.00 0.00 56.10 57.45 1hdm s TRP 114 Cb -0.15 -0.64 0.00 0.00 -3.10 0.00 0.00 33.47 29.58 1hdm s TRP 114 CO -0.08 -0.55 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1hdm n GLY 115 N -0.31 0.74 3.93 3.67 0.00 -0.20 -1.37 105.19 111.66 1hdm n GLY 115 Ca 0.01 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1hdm n GLY 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hdm s PHE 116 N -1.92 3.49 -0.25 1.61 -0.12 -1.18 -4.60 117.98 115.00 1hdm s PHE 116 Ca 0.00 0.40 -0.19 0.00 -0.05 0.00 0.00 56.93 57.09 1hdm s PHE 116 Cb 0.00 -1.92 0.07 0.00 -0.63 0.00 0.00 43.02 40.54 1hdm s PHE 116 CO 0.00 0.18 0.65 -0.47 -0.05 0.00 0.00 175.22 175.53 1hdm s TYR 117 N -2.20 -0.86 1.13 3.49 5.04 0.47 -0.83 117.35 123.58 1hdm s TYR 117 Ca 0.40 1.88 -0.19 0.00 -2.44 0.00 0.00 57.07 56.73 1hdm s TYR 117 Cb -0.10 0.42 0.29 0.00 0.35 0.00 0.00 41.96 42.92 1hdm s TYR 117 CO 0.34 -0.43 0.76 -2.30 -1.34 0.00 0.00 175.55 172.58 1hdm n PRO 118 N 3.57 -3.83 0.27 4.97 -0.02 -1.26 -0.37 135.00 138.33 1hdm n PRO 118 Ca -0.17 -1.26 0.16 0.00 -2.02 0.00 0.00 63.50 60.21 1hdm n PRO 118 Cb 0.57 -1.46 0.64 0.00 -0.02 0.00 0.00 33.50 33.23 1hdm n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hdm h ALA 119 N -3.10 1.01 -2.54 3.55 0.00 -1.99 -3.45 119.26 112.75 1hdm h ALA 119 Ca -0.32 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 1hdm h ALA 119 Cb 1.05 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hdm h ALA 119 CO 0.20 0.06 0.75 -1.21 0.00 0.00 0.00 179.25 179.05 1hdm s GLU 120 N -3.68 4.31 0.01 0.00 8.01 -1.26 -4.64 118.70 121.45 1hdm s GLU 120 Ca 0.01 2.10 -0.27 0.00 0.01 0.00 0.00 54.97 56.82 1hdm s GLU 120 Cb 0.09 -3.26 0.07 0.00 -4.31 0.00 0.00 34.13 26.71 1hdm s GLU 120 CO 0.56 -0.47 0.62 0.54 0.01 0.00 0.00 175.26 176.53 1hdm s VAL 121 N 1.21 0.01 0.01 2.63 0.11 -1.26 -4.63 120.40 118.47 1hdm s VAL 121 Ca 0.65 -0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.69 1hdm s VAL 121 Cb -0.37 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1hdm s VAL 121 CO 0.30 -0.03 -0.14 0.42 -3.33 0.00 0.00 175.10 172.32 1hdm s THR 122 N -1.95 1.14 -0.04 5.04 -4.23 -0.83 -3.04 115.64 111.74 1hdm s THR 122 Ca -0.08 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1hdm s THR 122 Cb -0.01 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.87 1hdm s THR 122 CO 0.03 0.22 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.62 1hdm s ILE 123 N -0.50 0.73 0.09 2.99 1.01 0.52 -1.54 121.20 124.49 1hdm s ILE 123 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1hdm s ILE 123 Cb -0.06 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1hdm s ILE 123 CO 0.00 0.25 -0.07 0.42 0.00 0.00 0.00 174.94 175.54 1hdm s THR 124 N 0.53 0.69 0.23 2.92 -4.23 -0.40 -4.48 115.64 110.90 1hdm s THR 124 Ca -0.08 -1.83 0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1hdm s THR 124 Cb -0.12 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1hdm s THR 124 CO 0.01 -0.81 -0.09 0.26 -0.54 0.00 0.00 174.62 173.45 1hdm s TRP 125 N -3.33 2.56 -0.08 3.99 0.52 -1.26 0.83 118.94 122.17 1hdm s TRP 125 Ca 0.09 -0.25 -0.03 0.00 0.02 0.00 0.00 56.10 55.93 1hdm s TRP 125 Cb 0.03 -1.18 0.05 0.00 -1.15 0.00 0.00 33.47 31.22 1hdm s TRP 125 CO -0.04 0.59 0.14 1.03 0.02 0.00 0.00 176.95 178.70 1hdm s ARG 126 N -3.27 0.02 -0.40 4.98 3.00 0.83 -2.42 118.95 121.68 1hdm s ARG 126 Ca 0.28 0.51 -0.18 0.00 0.00 0.00 0.00 55.73 56.34 1hdm s ARG 126 Cb -0.07 -0.37 0.01 0.00 0.00 0.00 0.00 34.95 34.52 1hdm s ARG 126 CO 0.16 -0.33 0.47 0.21 0.00 0.00 0.00 175.30 175.81 1hdm s LYS 127 N 2.27 3.25 -1.20 3.54 2.20 0.20 0.44 119.74 130.44 1hdm s LYS 127 Ca 0.04 -0.58 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1hdm s LYS 127 Cb -0.12 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 1hdm s LYS 127 CO -0.05 -0.80 0.79 0.09 -0.36 0.00 0.00 175.35 175.01 1hdm n ASN 128 N 5.68 -3.34 0.00 1.43 3.02 0.73 -1.95 115.26 120.83 1hdm n ASN 128 Ca -0.06 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1hdm n ASN 128 Cb 0.48 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 1hdm n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hdm n GLY 129 N -1.49 1.19 3.49 7.41 0.00 -1.26 -4.99 105.19 109.55 1hdm n GLY 129 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1hdm n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdm s LYS 130 N -0.19 3.69 0.71 1.61 1.02 -0.82 -5.00 119.74 120.75 1hdm s LYS 130 Ca 0.00 -0.50 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 1hdm s LYS 130 Cb 0.00 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1hdm s LYS 130 CO 0.00 0.13 0.83 -0.11 -0.92 0.00 0.00 175.35 175.28 1hdm n LEU 131 N 3.89 2.66 -4.28 3.17 7.94 -1.26 -0.62 117.00 128.50 1hdm n LEU 131 Ca -0.17 0.66 -0.20 0.00 -1.11 0.00 0.00 56.01 55.19 1hdm n LEU 131 Cb 0.52 -1.34 -0.11 0.00 0.53 0.00 0.00 43.42 43.02 1hdm n LEU 131 CO 0.33 -2.37 -0.47 0.68 -1.11 0.00 0.00 177.39 174.45 1hdm s VAL 132 N -1.82 1.53 0.00 1.96 -7.23 -1.02 -4.77 120.40 109.05 1hdm s VAL 132 Ca 0.71 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1hdm s VAL 132 Cb -0.35 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1hdm s VAL 132 CO 0.52 -0.35 0.00 1.15 -0.31 0.00 0.00 175.10 176.11 1hdm n MET 133 N 0.50 0.00 0.00 4.82 -0.00 -1.26 -4.74 117.12 116.44 1hdm n MET 133 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.55 1hdm n MET 133 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.79 1hdm n MET 133 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1hdm n HIS 134 N 0.00 0.00 -2.93 3.17 8.25 -1.26 -4.92 115.22 117.53 1hdm n HIS 134 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1hdm n HIS 134 Cb 0.00 -0.86 -0.06 0.00 1.12 0.00 0.00 29.99 30.19 1hdm n HIS 134 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1hdm s SER 135 N -1.62 7.24 -0.38 0.41 0.01 -1.26 -4.98 113.70 113.11 1hdm s SER 135 Ca 0.00 1.65 -0.28 0.00 1.31 0.00 0.00 55.95 58.63 1hdm s SER 135 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1hdm s SER 135 CO 0.00 0.01 1.74 -0.44 0.41 0.00 0.00 173.24 174.95 1hdm s SER 136 N -1.57 5.89 0.40 2.44 0.01 -1.26 -4.85 113.70 114.75 1hdm s SER 136 Ca 0.46 1.08 0.22 0.00 1.31 0.00 0.00 55.95 59.02 1hdm s SER 136 Cb -0.18 -2.53 0.40 0.00 0.21 0.00 0.00 66.02 63.92 1hdm s SER 136 CO 0.23 -1.75 1.61 0.00 0.41 0.00 0.00 173.24 173.75 1hdm h ALA 137 N 12.75 0.91 -2.11 1.44 0.00 -1.94 -3.39 119.26 126.92 1hdm h ALA 137 Ca -0.31 -0.15 -0.72 0.00 0.00 0.00 0.00 54.91 53.72 1hdm h ALA 137 Cb 1.16 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1hdm h ALA 137 CO 1.07 0.21 0.72 -3.38 0.00 0.00 0.00 179.25 177.87 1hdm s HIS 138 N -3.22 3.34 0.55 0.00 -3.43 -1.26 -0.35 115.29 110.91 1hdm s HIS 138 Ca 0.05 -1.64 -0.16 0.00 -0.80 0.00 0.00 55.06 52.50 1hdm s HIS 138 Cb 0.07 -4.17 -0.06 0.00 -1.43 0.00 0.00 32.58 26.98 1hdm s HIS 138 CO 0.68 -1.36 1.01 0.15 -2.00 0.00 0.00 174.74 173.22 1hdm s LYS 139 N 1.90 3.71 0.18 -0.38 -0.14 -1.17 -5.04 119.74 118.81 1hdm s LYS 139 Ca 0.31 1.04 -0.08 0.00 -1.36 0.00 0.00 55.97 55.88 1hdm s LYS 139 Cb -0.06 -2.10 -0.06 0.00 -1.68 0.00 0.00 37.83 33.93 1hdm s LYS 139 CO -0.08 -0.47 0.47 0.95 -0.76 0.00 0.00 175.35 175.45 1hdm s THR 140 N -2.57 5.04 0.14 2.17 -4.23 -1.26 -4.59 115.64 110.32 1hdm s THR 140 Ca 0.61 0.29 0.09 0.00 -1.18 0.00 0.00 61.69 61.50 1hdm s THR 140 Cb -0.12 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1hdm s THR 140 CO 0.34 -0.00 -0.21 0.00 -0.54 0.00 0.00 174.62 174.20 1hdm s ALA 141 N -1.73 2.04 -0.22 3.99 0.00 -1.26 -4.81 121.76 119.77 1hdm s ALA 141 Ca 0.44 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1hdm s ALA 141 Cb -0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1hdm s ALA 141 CO 0.22 0.36 0.47 -1.14 0.00 0.00 0.00 175.76 175.68 1hdm s GLN 142 N -2.29 4.14 0.15 0.00 2.00 -0.29 -4.89 119.66 118.48 1hdm s GLN 142 Ca 0.12 0.30 -0.30 0.00 -2.00 0.00 0.00 55.36 53.48 1hdm s GLN 142 Cb -0.08 -3.58 -0.07 0.00 0.80 0.00 0.00 33.01 30.07 1hdm s GLN 142 CO 0.06 -0.18 1.08 -1.25 -0.50 0.00 0.00 175.29 174.50 1hdm s PRO 143 N 1.75 4.60 0.03 1.67 0.04 -1.26 -1.92 135.00 139.91 1hdm s PRO 143 Ca 0.21 1.67 0.26 0.00 0.04 0.00 0.00 61.00 63.18 1hdm s PRO 143 Cb -0.15 -3.31 0.69 0.00 0.04 0.00 0.00 34.50 31.77 1hdm s PRO 143 CO 0.09 0.07 1.55 0.09 0.04 0.00 0.00 177.00 178.84 1hdm n ASN 144 N 2.62 0.42 0.00 6.66 3.02 -0.60 -4.94 115.26 122.45 1hdm n ASN 144 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1hdm n ASN 144 Cb 0.47 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1hdm n ASN 144 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hdm n GLY 145 N 1.46 1.32 0.99 7.41 0.00 -1.26 -4.89 105.19 110.23 1hdm n GLY 145 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1hdm n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hdm n ASP 146 N 0.00 3.04 -1.85 1.61 5.75 -1.26 -4.94 116.55 118.89 1hdm n ASP 146 Ca 0.00 -3.43 -0.10 0.00 -0.01 0.00 0.00 54.79 51.25 1hdm n ASP 146 Cb 0.00 -0.59 0.03 0.00 -1.03 0.00 0.00 41.12 39.54 1hdm n ASP 146 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1hdm n TRP 147 N -0.90 -1.26 -3.77 2.11 7.02 -1.26 -5.04 117.44 114.33 1hdm n TRP 147 Ca 0.28 0.44 -0.12 0.00 -1.02 0.00 0.00 57.50 57.08 1hdm n TRP 147 Cb 0.96 -2.77 -0.08 0.00 -2.42 0.00 0.00 31.31 26.99 1hdm n TRP 147 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1hdm s THR 148 N -3.14 0.07 0.37 -0.99 -4.23 -1.26 -4.71 115.64 101.75 1hdm s THR 148 Ca 0.25 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1hdm s THR 148 Cb -0.11 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1hdm s THR 148 CO 0.32 -0.33 0.07 -0.31 -0.54 0.00 0.00 174.62 173.83 1hdm s TYR 149 N -1.85 1.93 -0.14 3.99 1.51 -0.01 -1.55 117.35 121.23 1hdm s TYR 149 Ca -0.10 -1.04 -0.24 0.00 -1.01 0.00 0.00 57.07 54.68 1hdm s TYR 149 Cb -0.04 -1.30 0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1hdm s TYR 149 CO 0.01 -0.04 0.59 1.14 -1.11 0.00 0.00 175.55 176.14 1hdm s GLN 150 N -3.83 0.83 0.18 -0.62 -2.07 -0.81 -1.03 119.66 112.32 1hdm s GLN 150 Ca 0.30 0.50 0.01 0.00 -1.82 0.00 0.00 55.36 54.35 1hdm s GLN 150 Cb 0.06 0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 32.38 1hdm s GLN 150 CO 0.14 -0.19 0.21 2.41 -1.32 0.00 0.00 175.29 176.55 1hdm n THR 151 N 1.89 0.00 -3.60 3.63 -1.04 0.14 -1.14 114.28 114.16 1hdm n THR 151 Ca -0.17 -1.07 -0.14 0.00 -2.04 0.00 0.00 64.05 60.63 1hdm n THR 151 Cb 0.56 0.60 -0.07 0.00 -1.82 0.00 0.00 70.33 69.60 1hdm n THR 151 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1hdm s LEU 152 N 0.00 -0.67 -0.06 -4.42 0.05 -1.26 -2.02 118.68 110.31 1hdm s LEU 152 Ca 0.17 1.11 0.05 0.00 0.05 0.00 0.00 54.13 55.52 1hdm s LEU 152 Cb 0.00 2.38 -0.01 0.00 -2.05 0.00 0.00 46.19 46.51 1hdm s LEU 152 CO 0.12 -0.34 -0.23 -0.55 -0.55 0.00 0.00 176.35 174.80 1hdm s SER 153 N -0.16 3.22 -0.01 1.48 0.15 -0.87 -4.96 113.70 112.55 1hdm s SER 153 Ca -0.03 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.17 1hdm s SER 153 Cb -0.03 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.35 1hdm s SER 153 CO 0.03 0.25 -0.02 -1.00 1.20 0.00 0.00 173.24 173.69 1hdm s HIS 154 N -0.18 3.02 -0.17 3.44 3.76 -1.26 -1.14 115.29 122.75 1hdm s HIS 154 Ca -0.03 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1hdm s HIS 154 Cb -0.14 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 31.93 1hdm s HIS 154 CO 0.04 0.43 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.15 1hdm s LEU 155 N -1.39 1.59 0.16 0.89 2.96 -0.82 -4.97 118.68 117.09 1hdm s LEU 155 Ca 0.18 -0.72 -0.24 0.00 -0.22 0.00 0.00 54.13 53.12 1hdm s LEU 155 Cb -0.11 -0.85 -0.08 0.00 0.50 0.00 0.00 46.19 45.64 1hdm s LEU 155 CO 0.08 -0.22 0.75 0.00 -1.32 0.00 0.00 176.35 175.65 1hdm s ALA 156 N 1.67 3.46 0.24 5.97 0.00 -1.26 -0.90 121.76 130.95 1hdm s ALA 156 Ca -0.00 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 1hdm s ALA 156 Cb -0.16 -2.92 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1hdm s ALA 156 CO -0.07 0.31 0.83 -0.48 0.00 0.00 0.00 175.76 176.34 1hdm s LEU 157 N -1.18 -0.19 -0.23 0.00 0.05 -0.04 -4.99 118.68 112.10 1hdm s LEU 157 Ca 0.35 -0.60 -0.02 0.00 0.05 0.00 0.00 54.13 53.91 1hdm s LEU 157 Cb -0.23 2.51 0.01 0.00 -2.05 0.00 0.00 46.19 46.44 1hdm s LEU 157 CO 0.25 -1.21 -0.06 -0.89 -0.55 0.00 0.00 176.35 173.88 1hdm s THR 158 N -3.43 3.01 0.38 5.48 2.01 -1.26 -2.23 115.64 119.61 1hdm s THR 158 Ca 0.13 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 1hdm s THR 158 Cb -0.04 -2.44 -0.11 0.00 0.01 0.00 0.00 72.50 69.92 1hdm s THR 158 CO 0.06 0.32 1.36 -0.81 -0.69 0.00 0.00 174.62 174.86 1hdm n PRO 159 N 4.72 2.27 -3.42 4.92 -0.04 -1.26 -5.02 135.00 137.17 1hdm n PRO 159 Ca -0.18 0.80 -0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1hdm n PRO 159 Cb 0.49 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 1hdm n PRO 159 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1hdm s SER 160 N -0.32 0.77 0.61 3.54 0.15 -1.26 -5.06 113.70 112.13 1hdm s SER 160 Ca 0.56 0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.50 1hdm s SER 160 Cb -0.51 0.77 0.99 0.00 -1.71 0.00 0.00 66.02 65.56 1hdm s SER 160 CO 0.61 -0.31 1.41 1.88 1.20 0.00 0.00 173.24 178.04 1hdm h TYR 161 N 8.24 0.00 0.00 3.44 0.99 -1.95 0.97 116.97 128.66 1hdm h TYR 161 Ca -0.18 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 1hdm h TYR 161 Cb 1.15 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.87 1hdm h TYR 161 CO 0.13 0.00 -1.00 0.78 -0.00 0.00 0.00 178.16 178.07 1hdm h GLY 162 N 0.00 0.00 -2.09 3.88 0.00 -1.97 -3.43 103.07 99.45 1hdm h GLY 162 Ca 0.40 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.18 1hdm h GLY 162 CO -0.00 0.00 0.49 0.99 0.00 0.00 0.00 176.54 178.02 1hdm s ASP 163 N -5.61 4.90 -0.21 0.19 1.01 0.33 -5.05 116.67 112.24 1hdm s ASP 163 Ca -0.00 2.50 -0.04 0.00 0.71 0.00 0.00 52.55 55.72 1hdm s ASP 163 Cb 0.09 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.48 1hdm s ASP 163 CO 0.78 -1.80 0.07 -0.89 0.21 0.00 0.00 175.17 173.55 1hdm s THR 164 N -1.51 0.25 -0.03 -1.27 2.01 -1.26 -4.40 115.64 109.44 1hdm s THR 164 Ca 0.80 -0.54 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 1hdm s THR 164 Cb -0.34 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1hdm s THR 164 CO 0.36 -0.36 0.45 -0.31 -0.69 0.00 0.00 174.62 174.07 1hdm s TYR 165 N 1.97 3.67 -0.06 4.92 1.51 -0.35 -0.19 117.35 128.82 1hdm s TYR 165 Ca 0.03 0.99 0.04 0.00 -1.01 0.00 0.00 57.07 57.12 1hdm s TYR 165 Cb -0.17 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.29 1hdm s TYR 165 CO -0.15 0.49 -0.18 0.99 -1.11 0.00 0.00 175.55 175.59 1hdm s THR 166 N -0.56 1.55 -0.19 -0.71 2.01 0.17 -1.12 115.64 116.80 1hdm s THR 166 Ca 0.25 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 1hdm s THR 166 Cb -0.17 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1hdm s THR 166 CO 0.13 0.45 0.38 0.00 -0.69 0.00 0.00 174.62 174.88 1hdm s VAL 168 N 1.13 3.28 -0.15 0.00 1.01 0.24 -2.12 120.40 123.80 1hdm s VAL 168 Ca 0.19 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1hdm s VAL 168 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1hdm s VAL 168 CO 0.07 -0.07 0.03 -0.69 0.00 0.00 0.00 175.10 174.44 1hdm s VAL 169 N 1.33 4.50 -0.10 2.92 1.01 -0.37 -1.28 120.40 128.41 1hdm s VAL 169 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1hdm s VAL 169 Cb -0.19 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1hdm s VAL 169 CO -0.00 0.52 -0.15 -1.61 0.00 0.00 0.00 175.10 173.85 1hdm s GLU 170 N -0.04 2.15 -0.07 2.72 2.02 -0.59 -0.81 118.70 124.08 1hdm s GLU 170 Ca 0.05 -0.54 -0.13 0.00 0.02 0.00 0.00 54.97 54.37 1hdm s GLU 170 Cb -0.12 -1.81 0.03 0.00 0.10 0.00 0.00 34.13 32.32 1hdm s GLU 170 CO 0.02 -0.04 0.32 -1.58 0.02 0.00 0.00 175.26 173.99 1hdm s HIS 171 N 0.92 -0.27 0.55 1.61 2.46 -1.26 -1.96 115.29 117.34 1hdm s HIS 171 Ca -0.08 0.58 0.32 0.00 0.47 0.00 0.00 55.06 56.34 1hdm s HIS 171 Cb -0.15 0.11 1.82 0.00 -0.13 0.00 0.00 32.58 34.23 1hdm s HIS 171 CO -0.00 -0.28 2.22 -0.84 -2.47 0.00 0.00 174.74 173.37 1hdm h ILE 172 N 4.26 0.44 0.00 0.89 3.07 -1.93 -2.06 117.51 122.18 1hdm h ILE 172 Ca -0.28 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1hdm h ILE 172 Cb 1.18 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 1hdm h ILE 172 CO 0.35 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 178.09 1hdm n GLY 173 N -1.09 -0.93 2.97 0.16 0.00 -1.26 -4.66 105.19 100.38 1hdm n GLY 173 Ca -0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1hdm n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdm s ALA 174 N -2.64 1.00 0.09 4.61 0.00 -0.78 -3.74 121.76 120.31 1hdm s ALA 174 Ca 0.16 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 1hdm s ALA 174 Cb 0.12 -0.48 -0.13 0.00 0.00 0.00 0.00 23.12 22.63 1hdm s ALA 174 CO 0.29 0.07 1.68 -1.00 0.00 0.00 0.00 175.76 176.81 1hdm h PRO 175 N 6.98 -0.34 -6.20 0.00 0.13 -1.83 -3.43 132.00 127.32 1hdm h PRO 175 Ca -0.34 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 1hdm h PRO 175 Cb 1.17 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1hdm h PRO 175 CO 0.48 -0.23 -0.57 -1.21 -0.23 0.00 0.00 178.00 176.24 1hdm s GLU 176 N -6.13 2.89 0.61 0.86 0.41 -1.26 -5.07 118.70 111.02 1hdm s GLU 176 Ca -0.15 -0.86 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 1hdm s GLU 176 Cb 0.06 -2.65 -0.03 0.00 -1.78 0.00 0.00 34.13 29.74 1hdm s GLU 176 CO 0.65 0.49 1.26 -2.14 -0.49 0.00 0.00 175.26 175.03 1hdm s PRO 177 N -3.05 2.79 -0.22 0.39 0.02 -1.26 -4.91 135.00 128.76 1hdm s PRO 177 Ca 0.31 1.96 -0.09 0.00 0.02 0.00 0.00 61.00 63.20 1hdm s PRO 177 Cb -0.10 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1hdm s PRO 177 CO 0.23 -1.38 0.12 0.42 -0.33 0.00 0.00 177.00 176.06 1hdm s ILE 178 N -1.48 5.04 -0.11 2.83 1.01 0.01 -4.95 121.20 123.55 1hdm s ILE 178 Ca 0.79 0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1hdm s ILE 178 Cb -0.34 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1hdm s ILE 178 CO 0.37 0.38 -0.12 -0.76 0.00 0.00 0.00 174.94 174.81 1hdm s LEU 179 N 0.88 2.80 -0.18 2.97 1.43 -1.26 -1.23 118.68 124.09 1hdm s LEU 179 Ca 0.06 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1hdm s LEU 179 Cb -0.13 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.51 1hdm s LEU 179 CO 0.03 0.22 -0.05 -0.60 0.23 0.00 0.00 176.35 176.18 1hdm s ARG 180 N 0.01 1.49 0.36 1.70 6.06 -0.90 -4.97 118.95 122.70 1hdm s ARG 180 Ca -0.03 -0.60 -0.07 0.00 -2.50 0.00 0.00 55.73 52.53 1hdm s ARG 180 Cb -0.14 -2.11 -0.05 0.00 0.06 0.00 0.00 34.95 32.70 1hdm s ARG 180 CO 0.04 -0.46 0.67 -0.51 -2.50 0.00 0.00 175.30 172.54 1hdm s ASP 181 N 1.59 6.44 -0.07 -2.12 -0.00 -1.26 -1.64 116.67 119.62 1hdm s ASP 181 Ca -0.00 0.90 -0.14 0.00 -0.00 0.00 0.00 52.55 53.30 1hdm s ASP 181 Cb -0.16 -2.22 0.03 0.00 -0.00 0.00 0.00 42.92 40.57 1hdm s ASP 181 CO -0.08 -0.33 0.34 0.86 -0.00 0.00 0.00 175.17 175.96 1hdm s TRP 182 N -2.30 -0.29 -0.01 4.23 -0.00 -0.27 -4.88 118.94 115.43 1hdm s TRP 182 Ca 0.47 0.60 -0.09 0.00 -0.00 0.00 0.00 56.10 57.09 1hdm s TRP 182 Cb -0.10 0.12 0.01 0.00 -0.00 0.00 0.00 33.47 33.49 1hdm s TRP 182 CO 0.33 -0.31 0.17 -0.08 -0.00 0.00 0.00 176.95 177.06 1hdm s THR 183 N -0.65 0.07 0.10 5.86 -1.32 -1.26 -1.21 115.64 117.23 1hdm s THR 183 Ca -0.07 -0.61 -0.36 0.00 -1.21 0.00 0.00 61.69 59.44 1hdm s THR 183 Cb -0.04 -0.45 -0.15 0.00 -1.51 0.00 0.00 72.50 70.34 1hdm s THR 183 CO 0.03 -0.33 1.47 -2.65 -2.21 0.00 0.00 174.62 170.92 1hdm n PRO 184 N 1.52 1.59 -0.89 7.08 -0.02 -1.26 -5.08 135.00 137.94 1hdm n PRO 184 Ca -0.22 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1hdm n PRO 184 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1hdm n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89