#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hov n GLU 4 N 0.00 0.00 0.00 5.31 1.02 -1.26 -5.13 120.64 120.58 3hov n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hov n GLU 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3hov n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hov n GLY 5 N 3.65 0.76 3.68 0.62 0.00 -1.26 -4.98 105.19 107.66 3hov n GLY 5 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hov n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hov s PRO 6 N 1.44 4.29 0.30 1.61 0.04 -1.26 -4.96 135.00 136.46 3hov s PRO 6 Ca 0.00 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.81 3hov s PRO 6 Cb 0.00 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 3hov s PRO 6 CO 0.00 -0.59 0.47 -0.65 0.04 0.00 0.00 177.00 176.27 3hov s GLN 7 N 2.83 3.47 0.38 4.56 1.11 0.11 -4.91 119.66 127.21 3hov s GLN 7 Ca 0.58 -0.51 0.08 0.00 0.01 0.00 0.00 55.36 55.51 3hov s GLN 7 Cb -0.25 -2.76 -0.07 0.00 -1.01 0.00 0.00 33.01 28.92 3hov s GLN 7 CO 0.20 0.27 -0.02 0.08 0.01 0.00 0.00 175.29 175.83 3hov s VAL 8 N -2.17 2.03 -0.46 1.09 1.01 -1.26 -0.18 120.40 120.45 3hov s VAL 8 Ca 0.37 -2.07 0.05 0.00 0.00 0.00 0.00 61.98 60.34 3hov s VAL 8 Cb -0.09 -2.87 0.26 0.00 0.00 0.00 0.00 36.38 33.68 3hov s VAL 8 CO 0.33 -0.07 0.97 0.29 0.00 0.00 0.00 175.10 176.62 3hov n LYS 9 N -0.89 0.72 -1.57 2.72 5.02 -0.99 -4.96 118.16 118.21 3hov n LYS 9 Ca -0.05 -1.61 -0.63 0.00 -2.02 0.00 0.00 58.31 54.00 3hov n LYS 9 Cb 0.66 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 3hov n LYS 9 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hov n ILE 10 N 1.44 0.04 -0.11 -0.18 5.41 -1.26 -3.42 119.36 121.28 3hov n ILE 10 Ca 0.07 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3hov n ILE 10 Cb 0.65 -0.64 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 3hov n ILE 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hov n ARG 11 N 5.52 3.27 -1.08 0.38 1.74 -0.73 -4.92 116.66 120.84 3hov n ARG 11 Ca 0.39 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.11 3hov n ARG 11 Cb -0.02 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.48 3hov n ARG 11 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hov n GLU 12 N 0.00 0.03 -3.60 5.56 1.02 -1.26 -4.75 120.64 117.64 3hov n GLU 12 Ca 0.00 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3hov n GLU 12 Cb 0.00 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 3hov n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hov s ALA 13 N -2.05 -1.88 0.00 0.62 0.00 -1.26 -2.61 121.76 114.58 3hov s ALA 13 Ca 0.53 1.72 0.00 0.00 0.00 0.00 0.00 51.96 54.21 3hov s ALA 13 Cb -0.30 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.93 3hov s ALA 13 CO 0.70 -0.30 0.00 -1.13 0.00 0.00 0.00 175.76 175.02 3hov n SER 14 N 1.67 0.00 0.03 0.00 3.41 -0.54 -5.01 113.62 113.17 3hov n SER 14 Ca -0.14 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3hov n SER 14 Cb 0.56 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.42 3hov n SER 14 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hov n LYS 15 N 0.00 0.56 -0.01 4.33 4.81 -1.26 -4.41 118.16 122.18 3hov n LYS 15 Ca 0.00 -0.07 0.03 0.00 -0.87 0.00 0.00 58.31 57.39 3hov n LYS 15 Cb 0.00 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.38 3hov n LYS 15 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hov n ASP 16 N -2.29 3.47 -4.14 3.14 9.92 -1.26 -4.11 116.55 121.27 3hov n ASP 16 Ca -0.02 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.15 3hov n ASP 16 Cb 0.53 1.23 -0.10 0.00 -0.64 0.00 0.00 41.12 42.14 3hov n ASP 16 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3hov s ASN 17 N -2.89 0.65 -0.40 -2.24 0.01 -1.26 -1.05 114.94 107.76 3hov s ASN 17 Ca -0.03 -1.09 0.08 0.00 -0.71 0.00 0.00 52.86 51.12 3hov s ASN 17 Cb 0.04 0.20 0.27 0.00 0.41 0.00 0.00 41.25 42.17 3hov s ASN 17 CO 0.28 -0.61 0.63 0.52 -1.51 0.00 0.00 177.10 176.40 3hov n VAL 18 N -0.03 -0.48 -1.64 1.60 0.31 -1.10 -1.47 118.33 115.52 3hov n VAL 18 Ca -0.10 -3.70 -0.47 0.00 -0.01 0.00 0.00 64.34 60.06 3hov n VAL 18 Cb 0.62 -1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 32.45 3hov n VAL 18 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hov n ASP 19 N 1.19 2.33 -3.71 4.52 -0.08 -1.07 -3.96 116.55 115.78 3hov n ASP 19 Ca 0.20 1.12 -0.07 0.00 -1.51 0.00 0.00 54.79 54.53 3hov n ASP 19 Cb 0.57 -1.34 -0.02 0.00 2.34 0.00 0.00 41.12 42.67 3hov n ASP 19 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3hov s PHE 20 N 0.23 -0.26 -0.26 -0.67 -0.12 -0.77 -1.77 117.98 114.37 3hov s PHE 20 Ca 0.75 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.58 3hov s PHE 20 Cb -0.75 0.64 0.06 0.00 -0.63 0.00 0.00 43.02 42.35 3hov s PHE 20 CO 0.47 -0.98 -0.07 0.42 -0.05 0.00 0.00 175.22 175.00 3hov s ILE 21 N -3.64 1.96 -0.13 -4.49 1.01 -1.22 -2.31 121.20 112.38 3hov s ILE 21 Ca 0.09 -1.57 -0.27 0.00 0.00 0.00 0.00 60.65 58.89 3hov s ILE 21 Cb -0.03 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 3hov s ILE 21 CO -0.00 -0.11 0.91 -0.22 0.00 0.00 0.00 174.94 175.52 3hov s LEU 22 N 1.18 4.22 0.04 2.97 2.96 -0.66 -2.34 118.68 127.06 3hov s LEU 22 Ca -0.06 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.23 3hov s LEU 22 Cb -0.20 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3hov s LEU 22 CO -0.06 -0.40 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.56 3hov s SER 23 N 1.10 0.76 -0.75 3.68 1.04 0.74 0.12 113.70 120.39 3hov s SER 23 Ca 0.43 -0.51 -0.00 0.00 0.48 0.00 0.00 55.95 56.35 3hov s SER 23 Cb -0.18 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3hov s SER 23 CO 0.16 -0.20 0.03 -3.20 0.98 0.00 0.00 173.24 171.02 3hov n ASN 24 N 1.59 -3.15 -4.55 7.02 5.15 -1.26 -0.72 115.26 119.34 3hov n ASN 24 Ca -0.22 -0.02 -0.26 0.00 -0.60 0.00 0.00 54.58 53.47 3hov n ASN 24 Cb 0.55 -2.38 -0.10 0.00 -0.53 0.00 0.00 39.78 37.31 3hov n ASN 24 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hov s VAL 25 N -2.49 2.24 0.20 3.44 1.01 -1.26 -4.06 120.40 119.47 3hov s VAL 25 Ca 0.02 -2.18 -0.23 0.00 0.00 0.00 0.00 61.98 59.58 3hov s VAL 25 Cb -0.01 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 3hov s VAL 25 CO 0.02 -0.19 0.77 -0.62 0.00 0.00 0.00 175.10 175.09 3hov s ASP 26 N -3.62 7.27 0.20 3.32 2.15 -1.26 -4.38 116.67 120.35 3hov s ASP 26 Ca 0.33 1.58 -0.11 0.00 0.43 0.00 0.00 52.55 54.79 3hov s ASP 26 Cb 0.03 -2.48 0.21 0.00 -0.30 0.00 0.00 42.92 40.38 3hov s ASP 26 CO 0.17 0.13 1.79 0.25 -0.17 0.00 0.00 175.17 177.34 3hov h LEU 27 N 3.93 0.46 -0.80 -1.34 5.85 -2.00 0.12 115.31 121.52 3hov h LEU 27 Ca -0.47 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.41 3hov h LEU 27 Cb 1.20 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.04 3hov h LEU 27 CO 0.66 0.30 -0.37 0.00 -0.34 0.00 0.00 178.44 178.69 3hov h ALA 28 N 1.33 0.03 -0.62 1.25 0.00 -1.93 0.78 119.26 120.10 3hov h ALA 28 Ca 0.27 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.34 3hov h ALA 28 Cb 0.18 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3hov h ALA 28 CO -0.18 -0.66 0.16 1.98 0.00 0.00 0.00 179.25 180.54 3hov h MET 29 N -0.08 0.99 -0.46 0.00 1.85 -1.61 -0.47 114.93 115.14 3hov h MET 29 Ca 0.29 -0.23 0.06 0.00 -0.61 0.00 0.00 59.70 59.21 3hov h MET 29 Cb 0.57 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 32.42 3hov h MET 29 CO -0.84 0.89 0.15 0.00 -0.40 0.00 0.00 176.91 176.71 3hov h ALA 30 N 1.05 0.55 0.03 0.39 0.00 0.13 -2.12 119.26 119.29 3hov h ALA 30 Ca 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hov h ALA 30 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hov h ALA 30 CO 0.00 -0.24 -0.01 -0.97 0.00 0.00 0.00 179.25 178.03 3hov h ASN 31 N 0.32 -0.03 -0.72 0.00 -1.24 -0.81 -1.81 115.58 111.28 3hov h ASN 31 Ca 0.22 -0.36 0.15 0.00 0.71 0.00 0.00 56.30 57.03 3hov h ASN 31 Cb 0.23 0.01 -0.13 0.00 0.73 0.00 0.00 38.32 39.16 3hov h ASN 31 CO -0.23 0.34 -0.07 0.28 -1.29 0.00 0.00 177.43 176.46 3hov h SER 32 N -0.42 -0.47 -0.38 1.15 0.02 -0.91 0.45 113.55 112.98 3hov h SER 32 Ca -0.00 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3hov h SER 32 Cb 0.39 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3hov h SER 32 CO 0.01 -0.20 0.17 0.25 -1.14 0.00 0.00 176.83 175.92 3hov h LEU 33 N 0.06 0.51 -0.65 5.07 5.85 -1.34 0.50 115.31 125.31 3hov h LEU 33 Ca 0.37 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 59.07 3hov h LEU 33 Cb 0.62 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.39 3hov h LEU 33 CO -0.67 0.52 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.62 3hov h ARG 34 N 0.48 -0.06 0.28 1.25 2.43 0.64 -0.86 114.38 118.54 3hov h ARG 34 Ca 0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3hov h ARG 34 Cb 0.15 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hov h ARG 34 CO -0.01 -0.04 -0.14 0.00 -1.51 0.00 0.00 179.97 178.27 3hov h ARG 35 N -0.06 -0.36 -1.04 0.20 3.08 -0.32 -3.06 114.38 112.81 3hov h ARG 35 Ca 0.30 0.02 0.32 0.00 0.07 0.00 0.00 59.98 60.69 3hov h ARG 35 Cb 0.52 0.08 -0.14 0.00 0.08 0.00 0.00 29.97 30.52 3hov h ARG 35 CO -0.70 -0.03 0.62 0.28 -1.07 0.00 0.00 179.97 179.07 3hov h VAL 36 N -0.76 0.33 -0.51 2.04 2.07 -0.42 0.62 116.25 119.62 3hov h VAL 36 Ca -0.04 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3hov h VAL 36 Cb 0.50 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3hov h VAL 36 CO 0.06 0.06 0.21 0.24 0.02 0.00 0.00 177.57 178.17 3hov h MET 37 N 0.33 0.77 -0.07 1.57 2.86 -1.13 -1.93 114.93 117.33 3hov h MET 37 Ca 0.72 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 58.19 3hov h MET 37 Cb 1.71 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.25 3hov h MET 37 CO -0.54 0.67 -0.11 0.82 1.06 0.00 0.00 176.91 178.82 3hov h ILE 38 N 0.69 1.40 0.07 -1.22 2.04 0.15 -3.37 117.51 117.27 3hov h ILE 38 Ca 0.17 -1.37 -0.37 0.00 1.00 0.00 0.00 64.86 64.29 3hov h ILE 38 Cb 0.19 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3hov h ILE 38 CO -0.02 0.38 -2.15 0.00 0.00 0.00 0.00 178.15 176.37 3hov n ALA 39 N -2.41 1.09 -0.57 1.87 0.00 0.85 -4.56 120.51 116.77 3hov n ALA 39 Ca -0.08 -0.79 0.06 0.00 0.00 0.00 0.00 53.44 52.64 3hov n ALA 39 Cb 0.35 -0.43 0.13 0.00 0.00 0.00 0.00 19.45 19.50 3hov n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hov n GLU 40 N -3.51 2.47 -2.73 0.00 1.02 -0.73 -0.90 120.64 116.26 3hov n GLU 40 Ca -0.38 -2.23 -0.42 0.00 -0.02 0.00 0.00 57.16 54.10 3hov n GLU 40 Cb 1.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.99 3hov n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hov s ILE 41 N -1.95 4.78 0.86 -3.67 1.01 -1.22 -4.91 121.20 116.10 3hov s ILE 41 Ca 0.24 1.93 -0.12 0.00 0.00 0.00 0.00 60.65 62.70 3hov s ILE 41 Cb 0.18 -4.27 0.10 0.00 0.01 0.00 0.00 42.46 38.49 3hov s ILE 41 CO 0.06 -0.05 1.07 -2.65 0.00 0.00 0.00 174.94 173.38 3hov n PRO 42 N 5.47 -0.12 -3.79 2.79 -0.02 -1.26 -4.57 135.00 133.50 3hov n PRO 42 Ca 0.09 0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.57 3hov n PRO 42 Cb 0.48 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 3hov n PRO 42 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hov s THR 43 N -2.35 0.00 0.06 3.45 2.01 -0.50 -4.94 115.64 113.37 3hov s THR 43 Ca 0.69 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.07 3hov s THR 43 Cb -0.26 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3hov s THR 43 CO 0.56 0.00 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.07 3hov s LEU 44 N -3.03 2.53 -0.24 4.42 0.20 -1.26 -1.35 118.68 119.95 3hov s LEU 44 Ca 0.14 -0.49 -0.27 0.00 0.69 0.00 0.00 54.13 54.20 3hov s LEU 44 Cb -0.02 -1.46 0.12 0.00 -0.43 0.00 0.00 46.19 44.39 3hov s LEU 44 CO 0.04 0.24 0.99 0.00 -0.29 0.00 0.00 176.35 177.33 3hov s ALA 45 N -0.94 -1.94 0.24 5.97 0.00 -0.98 -4.27 121.76 119.84 3hov s ALA 45 Ca 0.14 1.78 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 3hov s ALA 45 Cb -0.10 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.72 3hov s ALA 45 CO 0.05 -0.27 1.25 -0.89 0.00 0.00 0.00 175.76 175.90 3hov n ILE 46 N 1.76 1.28 -1.95 0.00 5.41 -1.26 -1.79 119.36 122.81 3hov n ILE 46 Ca -0.12 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.31 3hov n ILE 46 Cb 0.56 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 3hov n ILE 46 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3hov n ASP 47 N 1.76 0.00 -3.53 4.38 2.03 -0.83 -4.41 116.55 115.95 3hov n ASP 47 Ca 0.11 -1.71 -0.00 0.00 0.52 0.00 0.00 54.79 53.71 3hov n ASP 47 Cb 0.30 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 3hov n ASP 47 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3hov s SER 48 N -0.71 -0.79 -0.23 1.67 0.15 -1.24 -4.97 113.70 107.59 3hov s SER 48 Ca 0.00 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.76 3hov s SER 48 Cb 0.00 1.81 0.06 0.00 -1.71 0.00 0.00 66.02 66.18 3hov s SER 48 CO 0.00 -0.16 -0.05 -0.69 1.20 0.00 0.00 173.24 173.55 3hov s VAL 49 N 2.42 1.43 -0.49 4.45 1.01 -1.26 -1.66 120.40 126.29 3hov s VAL 49 Ca -0.05 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 3hov s VAL 49 Cb -0.08 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.64 3hov s VAL 49 CO -0.18 -0.10 0.58 -0.70 0.00 0.00 0.00 175.10 174.70 3hov s GLU 50 N 1.44 3.11 -0.00 2.72 2.12 -0.42 -4.93 118.70 122.74 3hov s GLU 50 Ca -0.05 -0.90 -0.24 0.00 0.36 0.00 0.00 54.97 54.14 3hov s GLU 50 Cb -0.19 -4.08 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 3hov s GLU 50 CO -0.06 -1.15 0.74 0.08 -0.54 0.00 0.00 175.26 174.33 3hov s VAL 51 N 2.47 4.87 -0.19 3.70 1.01 -1.26 -2.48 120.40 128.53 3hov s VAL 51 Ca 0.14 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3hov s VAL 51 Cb -0.19 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 3hov s VAL 51 CO 0.12 0.32 -0.17 1.21 0.00 0.00 0.00 175.10 176.57 3hov n GLU 52 N 3.22 0.47 -3.71 2.72 2.13 0.39 -5.01 120.64 120.85 3hov n GLU 52 Ca -0.02 0.12 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 3hov n GLU 52 Cb 0.51 -1.36 -0.09 0.00 0.27 0.00 0.00 31.44 30.77 3hov n GLU 52 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3hov s THR 53 N -2.38 0.01 -0.22 6.31 2.01 -0.82 -4.95 115.64 115.60 3hov s THR 53 Ca -0.26 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 3hov s THR 53 Cb 0.07 -0.67 0.08 0.00 0.01 0.00 0.00 72.50 71.99 3hov s THR 53 CO 0.43 -0.04 0.51 0.21 -0.69 0.00 0.00 174.62 175.04 3hov s ASN 54 N -0.11 -0.65 -0.03 3.53 2.47 -1.25 0.56 114.94 119.46 3hov s ASN 54 Ca -0.03 1.16 0.05 0.00 0.42 0.00 0.00 52.86 54.46 3hov s ASN 54 Cb -0.03 1.25 0.07 0.00 -1.45 0.00 0.00 41.25 41.09 3hov s ASN 54 CO 0.02 -0.22 0.95 0.41 -3.72 0.00 0.00 177.10 174.54 3hov n THR 55 N 4.68 0.57 -1.35 -5.21 -1.04 -0.40 -4.95 114.28 106.58 3hov n THR 55 Ca -0.18 -0.67 -0.26 0.00 -2.04 0.00 0.00 64.05 60.90 3hov n THR 55 Cb 0.54 0.40 0.20 0.00 -1.82 0.00 0.00 70.33 69.65 3hov n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3hov n THR 56 N -0.41 0.00 0.80 12.58 -1.04 -1.26 -4.72 114.28 120.23 3hov n THR 56 Ca 0.04 -0.61 0.12 0.00 -2.04 0.00 0.00 64.05 61.55 3hov n THR 56 Cb 0.61 -1.37 0.17 0.00 -1.82 0.00 0.00 70.33 67.92 3hov n THR 56 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hov n VAL 57 N -4.14 0.13 -3.46 12.58 0.31 -1.26 -4.82 118.33 117.66 3hov n VAL 57 Ca 0.14 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 3hov n VAL 57 Cb 0.51 0.17 -0.06 0.00 -0.91 0.00 0.00 33.84 33.55 3hov n VAL 57 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hov s LEU 58 N -3.50 4.44 0.54 7.52 1.43 -1.26 -5.07 118.68 122.77 3hov s LEU 58 Ca 0.08 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 3hov s LEU 58 Cb 0.16 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 3hov s LEU 58 CO 0.73 0.26 1.01 0.00 0.23 0.00 0.00 176.35 178.59 3hov s ALA 59 N -0.76 2.95 0.01 4.21 0.00 -1.26 -4.86 121.76 122.05 3hov s ALA 59 Ca 0.24 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 3hov s ALA 59 Cb -0.16 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3hov s ALA 59 CO 0.13 -0.41 0.90 -0.25 0.00 0.00 0.00 175.76 176.12 3hov n ASP 60 N -1.65 -0.06 0.28 0.00 9.92 -1.26 -0.14 116.55 123.65 3hov n ASP 60 Ca 0.07 0.91 0.14 0.00 -0.53 0.00 0.00 54.79 55.39 3hov n ASP 60 Cb 0.54 -0.42 0.87 0.00 -0.64 0.00 0.00 41.12 41.46 3hov n ASP 60 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 3hov h GLU 61 N 0.00 0.00 -0.16 -1.24 9.09 -1.97 -0.19 114.58 120.10 3hov h GLU 61 Ca 0.01 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.45 3hov h GLU 61 Cb 0.02 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.10 3hov h GLU 61 CO -0.05 0.00 -0.01 0.35 0.05 0.00 0.00 179.01 179.35 3hov h PHE 62 N 0.00 -0.03 -0.07 2.06 -0.00 -0.90 0.75 116.94 118.75 3hov h PHE 62 Ca 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.97 3hov h PHE 62 Cb 0.04 0.04 -0.00 0.00 -0.00 0.00 0.00 35.95 36.02 3hov h PHE 62 CO 0.00 -0.04 -0.05 0.82 -0.00 0.00 0.00 178.31 179.05 3hov h ILE 63 N 0.04 1.34 -1.00 1.41 2.04 -0.64 -3.06 117.51 117.64 3hov h ILE 63 Ca 0.08 -1.11 0.20 0.00 1.00 0.00 0.00 64.86 65.03 3hov h ILE 63 Cb 0.10 1.94 -0.11 0.00 -0.74 0.00 0.00 36.82 38.01 3hov h ILE 63 CO -0.14 0.31 0.61 0.00 0.00 0.00 0.00 178.15 178.93 3hov h ALA 64 N 0.60 1.72 0.35 1.87 0.00 -0.85 0.47 119.26 123.42 3hov h ALA 64 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hov h ALA 64 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hov h ALA 64 CO 0.01 -0.11 -0.17 1.25 0.00 0.00 0.00 179.25 180.23 3hov h HIS 65 N 0.71 -0.43 0.22 0.00 -0.00 -0.76 -3.18 115.15 111.71 3hov h HIS 65 Ca 0.59 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.96 3hov h HIS 65 Cb 0.98 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.50 3hov h HIS 65 CO -0.00 -0.26 -0.37 0.00 -0.00 0.00 0.00 177.93 177.30 3hov h ARG 66 N -0.48 -0.64 -1.37 5.26 3.08 -0.88 -1.63 114.38 117.72 3hov h ARG 66 Ca -0.05 0.04 0.40 0.00 0.07 0.00 0.00 59.98 60.44 3hov h ARG 66 Cb 0.36 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 3hov h ARG 66 CO 0.08 -0.42 1.19 -0.07 -1.07 0.00 0.00 179.97 179.67 3hov h LEU 67 N -0.66 0.00 -0.22 3.04 3.38 -1.13 0.66 115.31 120.37 3hov h LEU 67 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 3hov h LEU 67 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hov h LEU 67 CO -0.16 0.00 -0.77 1.23 0.09 0.00 0.00 178.44 178.83 3hov h GLY 68 N 0.00 0.76 2.00 0.83 0.00 -1.27 -3.23 103.07 102.16 3hov h GLY 68 Ca 0.65 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3hov h GLY 68 CO -0.01 0.97 0.00 1.04 0.00 0.00 0.00 176.54 178.54 3hov n LEU 69 N -3.91 0.75 -4.58 3.11 4.32 0.23 -4.47 117.00 112.46 3hov n LEU 69 Ca -0.07 0.58 -0.41 0.00 -0.02 0.00 0.00 56.01 56.10 3hov n LEU 69 Cb 0.74 -0.36 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 3hov n LEU 69 CO 0.52 -0.22 1.62 -0.63 -1.22 0.00 0.00 177.39 177.46 3hov s ILE 70 N -3.12 3.37 0.45 -0.08 1.01 -1.04 -4.93 121.20 116.86 3hov s ILE 70 Ca 0.10 0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 3hov s ILE 70 Cb 0.12 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 3hov s ILE 70 CO 0.57 -0.52 1.07 -0.81 0.00 0.00 0.00 174.94 175.24 3hov n PRO 71 N 8.76 1.43 -4.30 2.79 -0.04 -1.26 -4.77 135.00 137.61 3hov n PRO 71 Ca 0.24 0.51 -0.17 0.00 -0.04 0.00 0.00 63.50 64.04 3hov n PRO 71 Cb 0.49 -2.15 -0.10 0.00 -0.04 0.00 0.00 33.50 31.70 3hov n PRO 71 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hov s LEU 72 N -1.06 2.53 0.18 1.53 1.43 -1.26 -2.26 118.68 119.77 3hov s LEU 72 Ca 0.65 -0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 3hov s LEU 72 Cb -0.52 -0.55 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 3hov s LEU 72 CO 0.56 -0.22 1.59 -1.58 0.23 0.00 0.00 176.35 176.92 3hov s GLN 73 N -3.55 4.20 -0.21 1.70 2.00 -0.78 -4.35 119.66 118.67 3hov s GLN 73 Ca 0.19 2.40 0.22 0.00 -2.00 0.00 0.00 55.36 56.17 3hov s GLN 73 Cb -0.00 -3.13 0.49 0.00 0.80 0.00 0.00 33.01 31.16 3hov s GLN 73 CO 0.04 -0.62 1.13 0.43 -0.50 0.00 0.00 175.29 175.77 3hov n SER 74 N 3.80 1.78 0.36 6.67 7.64 -0.53 -1.80 113.62 131.54 3hov n SER 74 Ca 0.14 -2.23 -0.14 0.00 1.01 0.00 0.00 58.87 57.64 3hov n SER 74 Cb 0.38 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 3hov n SER 74 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3hov h MET 75 N 2.20 -0.91 -0.90 1.43 -1.53 -1.67 -3.17 114.93 110.38 3hov h MET 75 Ca -0.11 0.06 -0.12 0.00 -3.44 0.00 0.00 59.70 56.09 3hov h MET 75 Cb 1.41 0.21 -0.07 0.00 -0.55 0.00 0.00 31.60 32.60 3hov h MET 75 CO 0.21 -0.61 0.16 -0.25 0.14 0.00 0.00 176.91 176.57 3hov n ASP 76 N -5.23 3.30 -0.24 1.39 8.00 -1.03 -4.41 116.55 118.32 3hov n ASP 76 Ca -0.12 -2.60 0.09 0.00 0.71 0.00 0.00 54.79 52.87 3hov n ASP 76 Cb 0.37 -0.62 0.35 0.00 -0.02 0.00 0.00 41.12 41.19 3hov n ASP 76 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3hov h ILE 77 N 1.17 0.94 0.00 0.53 -0.00 -1.77 -0.28 117.51 118.10 3hov h ILE 77 Ca 0.15 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 3hov h ILE 77 Cb 1.55 0.10 0.00 0.00 -0.00 0.00 0.00 36.82 38.47 3hov h ILE 77 CO 0.38 0.14 0.00 1.21 -0.00 0.00 0.00 178.15 179.88 3hov n GLU 78 N -4.52 0.06 -1.13 2.19 4.07 -1.26 -1.07 120.64 118.98 3hov n GLU 78 Ca 0.14 0.04 0.01 0.00 -0.06 0.00 0.00 57.16 57.30 3hov n GLU 78 Cb 0.34 -1.50 0.13 0.00 -0.06 0.00 0.00 31.44 30.35 3hov n GLU 78 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hov n GLN 79 N -1.04 1.46 -4.54 5.31 10.64 -0.12 -4.98 117.38 124.11 3hov n GLN 79 Ca 0.01 -3.11 -0.23 0.00 -1.83 0.00 0.00 57.00 51.85 3hov n GLN 79 Cb 0.01 -1.30 -0.14 0.00 -0.86 0.00 0.00 30.24 27.94 3hov n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3hov s LEU 80 N -2.52 2.13 0.29 2.61 2.96 -0.23 -5.05 118.68 118.87 3hov s LEU 80 Ca 0.38 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3hov s LEU 80 Cb 0.38 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 46.28 3hov s LEU 80 CO -0.08 0.12 0.43 -1.61 -1.32 0.00 0.00 176.35 173.88 3hov s GLU 81 N -0.92 3.31 -0.26 1.98 2.02 -0.72 -5.00 118.70 119.12 3hov s GLU 81 Ca 0.05 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 3hov s GLU 81 Cb -0.08 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.33 3hov s GLU 81 CO 0.01 0.24 1.06 0.71 0.02 0.00 0.00 175.26 177.30 3hov s TYR 82 N -2.10 3.26 0.55 1.61 1.51 -1.26 -4.46 117.35 116.46 3hov s TYR 82 Ca 0.39 1.37 0.39 0.00 -1.01 0.00 0.00 57.07 58.21 3hov s TYR 82 Cb -0.09 -3.41 1.59 0.00 -0.11 0.00 0.00 41.96 39.93 3hov s TYR 82 CO 0.31 -0.62 1.76 0.66 -1.11 0.00 0.00 175.55 176.54 3hov h SER 83 N 7.69 0.00 0.07 2.29 4.64 -1.91 1.28 113.55 127.61 3hov h SER 83 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3hov h SER 83 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hov h SER 83 CO 1.00 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 177.04 3hov h ARG 84 N 0.00 0.00 0.00 4.77 0.11 -1.91 -2.78 114.38 114.58 3hov h ARG 84 Ca 0.64 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.53 3hov h ARG 84 Cb 2.57 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 33.61 3hov h ARG 84 CO -0.01 0.00 -1.78 -0.25 0.10 0.00 0.00 179.97 178.03 3hov n ASP 85 N -2.85 2.07 -4.74 0.08 8.00 0.44 -4.99 116.55 114.55 3hov n ASP 85 Ca -0.02 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.08 3hov n ASP 85 Cb 0.08 0.92 0.03 0.00 -0.02 0.00 0.00 41.12 42.12 3hov n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n PHE 87 N -0.66 0.06 -2.49 0.00 3.01 -1.26 -4.90 117.46 111.23 3hov n PHE 87 Ca 0.08 -0.03 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 3hov n PHE 87 Cb 0.43 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 3hov n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hov s GLU 89 N -3.96 3.09 0.00 0.00 2.12 -1.26 -4.36 118.70 114.34 3hov s GLU 89 Ca 0.58 0.50 0.00 0.00 0.36 0.00 0.00 54.97 56.41 3hov s GLU 89 Cb -0.10 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.08 3hov s GLU 89 CO 0.30 -2.19 0.00 -3.47 -0.54 0.00 0.00 175.26 169.36 3hov n ASP 90 N 10.55 0.00 -3.59 -1.70 2.03 -1.26 -4.96 116.55 117.62 3hov n ASP 90 Ca 0.14 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.40 3hov n ASP 90 Cb 0.50 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 3hov n ASP 90 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3hov s HIS 91 N 0.00 -0.23 0.34 -0.67 -3.43 -1.26 -4.91 115.29 105.14 3hov s HIS 91 Ca 0.00 0.08 -0.12 0.00 -0.80 0.00 0.00 55.06 54.22 3hov s HIS 91 Cb 0.00 0.56 0.05 0.00 -1.43 0.00 0.00 32.58 31.75 3hov s HIS 91 CO 0.00 -0.51 0.67 0.00 -2.00 0.00 0.00 174.74 172.90 3hov h ASP 93 N 1.74 0.00 0.94 0.00 3.32 -1.90 0.24 116.42 120.77 3hov h ASP 93 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3hov h ASP 93 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3hov h ASP 93 CO 0.37 0.02 0.00 1.17 -1.72 0.00 0.00 179.24 179.08 3hov n LYS 94 N -3.38 0.10 0.00 3.56 4.81 -1.26 -4.05 118.16 117.94 3hov n LYS 94 Ca -0.02 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 3hov n LYS 94 Cb 0.12 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3hov n LYS 94 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hov s SER 96 N 0.00 -0.60 0.03 0.00 1.04 0.71 -4.43 113.70 110.45 3hov s SER 96 Ca 0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 3hov s SER 96 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3hov s SER 96 CO 0.00 -0.59 0.08 -0.69 0.98 0.00 0.00 173.24 173.02 3hov s VAL 97 N -1.22 4.62 -0.14 5.02 1.01 -0.91 -4.27 120.40 124.51 3hov s VAL 97 Ca -0.11 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3hov s VAL 97 Cb -0.01 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3hov s VAL 97 CO 0.09 0.27 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 3hov s VAL 98 N -1.26 1.66 0.40 2.92 1.01 -1.26 -0.59 120.40 123.28 3hov s VAL 98 Ca 0.25 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3hov s VAL 98 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3hov s VAL 98 CO 0.17 0.47 0.32 -0.76 0.00 0.00 0.00 175.10 175.30 3hov s LEU 99 N 1.25 3.37 0.02 3.92 2.01 -0.88 0.14 118.68 128.51 3hov s LEU 99 Ca 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 54.13 53.38 3hov s LEU 99 Cb -0.14 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.08 3hov s LEU 99 CO -0.07 -0.57 -0.02 -0.89 1.01 0.00 0.00 176.35 175.80 3hov s THR 100 N -2.47 0.11 -0.04 5.49 2.01 -1.09 -1.23 115.64 118.43 3hov s THR 100 Ca 0.45 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3hov s THR 100 Cb -0.02 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.29 3hov s THR 100 CO 0.27 -0.35 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.56 3hov s LEU 101 N -1.05 1.53 -0.20 4.42 2.96 -1.22 -2.08 118.68 123.04 3hov s LEU 101 Ca -0.11 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3hov s LEU 101 Cb -0.07 -0.52 0.10 0.00 0.50 0.00 0.00 46.19 46.20 3hov s LEU 101 CO -0.01 -0.00 0.33 -1.10 -1.32 0.00 0.00 176.35 174.25 3hov s GLN 102 N 0.63 0.27 0.03 1.98 -0.21 -1.24 -1.38 119.66 119.74 3hov s GLN 102 Ca -0.09 0.63 0.03 0.00 0.02 0.00 0.00 55.36 55.94 3hov s GLN 102 Cb -0.13 -0.34 -0.02 0.00 1.00 0.00 0.00 33.01 33.52 3hov s GLN 102 CO 0.01 -0.48 -0.10 0.00 -2.12 0.00 0.00 175.29 172.60 3hov s ALA 103 N 2.49 0.81 -0.06 6.09 0.00 -0.93 -4.99 121.76 125.17 3hov s ALA 103 Ca 0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 3hov s ALA 103 Cb -0.14 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3hov s ALA 103 CO -0.13 0.12 0.16 0.12 0.00 0.00 0.00 175.76 176.03 3hov s PHE 104 N -0.80 -0.17 -0.59 0.00 5.99 -1.26 -1.27 117.98 119.88 3hov s PHE 104 Ca -0.02 0.42 -0.26 0.00 0.00 0.00 0.00 56.93 57.07 3hov s PHE 104 Cb -0.07 0.05 0.04 0.00 0.00 0.00 0.00 43.02 43.04 3hov s PHE 104 CO 0.01 -0.09 1.11 0.20 -0.00 0.00 0.00 175.22 176.45 3hov s GLY 105 N 0.13 1.21 -0.20 13.12 0.00 -0.80 -4.78 107.32 115.99 3hov s GLY 105 Ca -0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 44.72 43.54 3hov s GLY 105 CO -0.00 2.35 -0.29 -2.21 0.00 0.00 0.00 173.10 172.95 3hov n GLU 106 N 8.18 0.46 -1.69 2.90 4.07 -1.26 -4.20 120.64 129.10 3hov n GLU 106 Ca 0.05 0.20 -0.44 0.00 -0.06 0.00 0.00 57.16 56.91 3hov n GLU 106 Cb 0.48 -1.28 -0.02 0.00 -0.06 0.00 0.00 31.44 30.56 3hov n GLU 106 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3hov n SER 107 N -4.06 2.95 -0.01 4.31 3.41 -1.26 -4.76 113.62 114.20 3hov n SER 107 Ca -0.37 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3hov n SER 107 Cb 0.73 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3hov n SER 107 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hov n GLU 108 N 1.69 0.73 -3.82 4.33 2.13 -1.26 -4.45 120.64 119.98 3hov n GLU 108 Ca 0.09 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.62 3hov n GLU 108 Cb 0.33 -1.01 -0.16 0.00 0.27 0.00 0.00 31.44 30.88 3hov n GLU 108 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3hov s SER 109 N -1.25 3.56 0.00 4.31 1.04 -1.26 -4.96 113.70 115.14 3hov s SER 109 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 3hov s SER 109 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.21 3hov s SER 109 CO 0.00 -0.30 0.00 0.41 0.98 0.00 0.00 173.24 174.33 3hov n THR 110 N 4.84 0.00 -3.07 2.02 -1.04 -1.26 -4.86 114.28 110.91 3hov n THR 110 Ca -0.08 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.53 3hov n THR 110 Cb 0.45 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 3hov n THR 110 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hov s THR 111 N 0.00 4.84 -0.24 12.58 2.01 -0.24 -4.90 115.64 129.70 3hov s THR 111 Ca 0.00 1.47 -0.09 0.00 0.31 0.00 0.00 61.69 63.38 3hov s THR 111 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3hov s THR 111 CO 0.00 0.36 0.12 0.20 -0.69 0.00 0.00 174.62 174.62 3hov s ASN 112 N 0.04 5.74 -0.26 3.53 0.02 -1.26 -1.69 114.94 121.06 3hov s ASN 112 Ca 0.36 0.00 -0.18 0.00 -1.02 0.00 0.00 52.86 52.02 3hov s ASN 112 Cb -0.19 -2.03 -0.03 0.00 0.02 0.00 0.00 41.25 39.02 3hov s ASN 112 CO 0.20 0.04 0.50 -0.69 0.02 0.00 0.00 177.10 177.17 3hov s VAL 113 N 1.19 5.08 0.39 1.60 1.01 -0.19 -5.02 120.40 124.45 3hov s VAL 113 Ca 0.06 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.96 3hov s VAL 113 Cb -0.14 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3hov s VAL 113 CO 0.05 0.09 -0.02 -0.31 0.00 0.00 0.00 175.10 174.91 3hov s TYR 114 N 2.29 2.49 0.10 5.22 1.51 -1.26 -0.54 117.35 127.16 3hov s TYR 114 Ca 0.21 -0.61 0.33 0.00 -1.01 0.00 0.00 57.07 55.98 3hov s TYR 114 Cb -0.16 -1.66 1.59 0.00 -0.11 0.00 0.00 41.96 41.62 3hov s TYR 114 CO 0.09 0.48 1.99 1.03 -1.11 0.00 0.00 175.55 178.03 3hov h SER 115 N 1.84 0.00 1.53 2.29 0.87 -0.52 -0.76 113.55 118.80 3hov h SER 115 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3hov h SER 115 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3hov h SER 115 CO 0.77 0.00 0.00 0.07 -0.53 0.00 0.00 176.83 177.14 3hov h LYS 116 N 0.00 0.00 -0.01 2.24 2.10 -1.59 -3.06 116.57 116.26 3hov h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hov h LYS 116 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3hov h LYS 116 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3hov n ASP 117 N -2.71 0.24 -4.77 7.07 9.92 -0.29 -4.82 116.55 121.20 3hov n ASP 117 Ca 0.04 -1.13 -0.38 0.00 -0.53 0.00 0.00 54.79 52.79 3hov n ASP 117 Cb 0.43 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.88 3hov n ASP 117 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3hov s LEU 118 N -1.94 4.19 -0.34 0.64 1.43 -1.16 -4.65 118.68 116.85 3hov s LEU 118 Ca 0.44 2.20 -0.00 0.00 -1.03 0.00 0.00 54.13 55.74 3hov s LEU 118 Cb 0.21 -4.07 0.11 0.00 0.03 0.00 0.00 46.19 42.47 3hov s LEU 118 CO 0.34 -0.56 0.13 -0.69 0.23 0.00 0.00 176.35 175.81 3hov s VAL 119 N -1.51 0.98 0.08 -1.59 1.01 -0.88 -4.87 120.40 113.62 3hov s VAL 119 Ca 0.57 -1.69 -0.35 0.00 0.00 0.00 0.00 61.98 60.51 3hov s VAL 119 Cb -0.27 -1.73 -0.14 0.00 0.00 0.00 0.00 36.38 34.24 3hov s VAL 119 CO 0.34 -0.74 1.59 -0.38 0.00 0.00 0.00 175.10 175.91 3hov n ILE 120 N 4.51 0.12 -0.11 2.22 5.41 -1.26 -2.66 119.36 127.59 3hov n ILE 120 Ca 0.01 -0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.54 3hov n ILE 120 Cb 0.40 -1.43 -0.09 0.00 -0.71 0.00 0.00 39.64 37.81 3hov n ILE 120 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hov n VAL 121 N 3.59 1.22 -1.22 1.39 0.31 0.37 -4.96 118.33 119.03 3hov n VAL 121 Ca 0.19 -0.38 -0.33 0.00 -0.01 0.00 0.00 64.34 63.81 3hov n VAL 121 Cb 0.26 -1.55 0.11 0.00 -0.91 0.00 0.00 33.84 31.75 3hov n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hov s SER 122 N -6.57 3.91 -0.07 4.52 1.04 -1.22 -4.93 113.70 110.38 3hov s SER 122 Ca -0.30 2.23 -0.30 0.00 0.48 0.00 0.00 55.95 58.06 3hov s SER 122 Cb 0.10 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 3hov s SER 122 CO 0.43 -2.45 1.29 0.21 0.98 0.00 0.00 173.24 173.71 3hov s ASN 123 N -2.39 6.95 0.00 7.02 2.47 -1.26 -4.84 114.94 122.89 3hov s ASN 123 Ca 0.70 1.88 0.10 0.00 0.42 0.00 0.00 52.86 55.96 3hov s ASN 123 Cb -0.26 -2.55 0.58 0.00 -1.45 0.00 0.00 41.25 37.57 3hov s ASN 123 CO 0.50 -0.68 1.28 0.18 -3.72 0.00 0.00 177.10 174.66 3hov n LEU 124 N 5.67 0.00 -4.40 3.21 4.32 -1.26 -4.82 117.00 119.72 3hov n LEU 124 Ca 0.13 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.72 3hov n LEU 124 Cb 0.45 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.17 3hov n LEU 124 CO 0.57 0.00 -0.21 0.23 -1.22 0.00 0.00 177.39 176.76 3hov n MET 125 N -0.67 -0.76 -2.99 3.23 2.81 -1.26 -2.92 117.12 114.56 3hov n MET 125 Ca 0.07 0.13 -0.01 0.00 -1.81 0.00 0.00 57.70 56.08 3hov n MET 125 Cb 0.03 -4.35 -0.01 0.00 -0.71 0.00 0.00 33.22 28.19 3hov n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hov n GLY 126 N -1.29 -1.58 0.00 3.03 0.00 -1.26 -5.05 105.19 99.04 3hov n GLY 126 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3hov n GLY 126 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hov n ARG 127 N 1.49 0.00 -1.53 1.61 1.85 -1.15 -5.11 116.66 113.82 3hov n ARG 127 Ca -0.05 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.34 3hov n ARG 127 Cb 0.30 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.66 3hov n ARG 127 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3hov n ASN 128 N 0.00 2.73 -3.63 2.89 2.85 -1.26 -4.87 115.26 113.98 3hov n ASN 128 Ca 0.00 0.24 -0.06 0.00 -0.11 0.00 0.00 54.58 54.65 3hov n ASN 128 Cb 0.00 -1.44 -0.06 0.00 1.24 0.00 0.00 39.78 39.53 3hov n ASN 128 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3hov s ILE 129 N 8.17 0.00 -1.08 -1.44 1.01 -1.26 -2.48 121.20 124.13 3hov s ILE 129 Ca 1.05 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3hov s ILE 129 Cb -0.54 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3hov s ILE 129 CO 0.40 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3hov n GLY 130 N 1.16 1.12 3.52 6.18 0.00 -0.75 -4.81 105.19 111.61 3hov n GLY 130 Ca -0.08 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3hov n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hov s HIS 131 N -2.24 3.21 -0.96 1.61 3.76 -1.26 -4.68 115.29 114.73 3hov s HIS 131 Ca 0.00 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 3hov s HIS 131 Cb 0.00 -2.65 -0.26 0.00 1.11 0.00 0.00 32.58 30.78 3hov s HIS 131 CO 0.00 -0.48 2.45 -2.30 -0.85 0.00 0.00 174.74 173.56 3hov n PRO 132 N 5.32 0.09 -1.68 8.40 -0.02 -1.26 -1.87 135.00 143.98 3hov n PRO 132 Ca -0.10 -0.04 -0.47 0.00 -2.02 0.00 0.00 63.50 60.86 3hov n PRO 132 Cb 0.49 -1.53 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 3hov n PRO 132 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3hov n ILE 133 N 6.79 0.41 -5.24 4.25 5.41 -0.96 -4.89 119.36 125.13 3hov n ILE 133 Ca 0.64 -0.07 -0.31 0.00 1.00 0.00 0.00 62.75 64.00 3hov n ILE 133 Cb 0.13 -1.79 -0.17 0.00 -0.71 0.00 0.00 39.64 37.10 3hov n ILE 133 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hov s ILE 134 N 3.10 2.03 0.00 1.39 1.01 -1.26 -4.82 121.20 122.65 3hov s ILE 134 Ca 0.88 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3hov s ILE 134 Cb -0.68 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3hov s ILE 134 CO 0.47 0.56 0.42 0.00 0.00 0.00 0.00 174.94 176.39 3hov n GLN 135 N 3.05 0.35 -1.99 2.79 6.02 -1.26 -5.04 117.38 121.30 3hov n GLN 135 Ca -0.18 -0.51 -0.37 0.00 -0.01 0.00 0.00 57.00 55.93 3hov n GLN 135 Cb 0.52 -0.67 0.03 0.00 1.02 0.00 0.00 30.24 31.14 3hov n GLN 135 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hov s ASP 136 N -0.17 5.46 0.03 1.08 3.68 -1.26 -4.96 116.67 120.53 3hov s ASP 136 Ca 0.00 2.51 -0.25 0.00 2.13 0.00 0.00 52.55 56.94 3hov s ASP 136 Cb 0.00 -2.61 -0.18 0.00 -1.45 0.00 0.00 42.92 38.68 3hov s ASP 136 CO 0.00 -1.42 1.47 0.50 0.13 0.00 0.00 175.17 175.85 3hov h LYS 137 N 1.40 -0.07 0.00 4.34 3.64 -2.02 -2.85 116.57 121.00 3hov h LYS 137 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3hov h LYS 137 Cb 1.29 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3hov h LYS 137 CO 0.57 0.19 0.00 0.93 -2.27 0.00 0.00 179.45 178.87 3hov h GLU 138 N -0.33 0.00 -3.13 1.90 3.07 -2.04 -3.47 114.58 110.58 3hov h GLU 138 Ca -0.01 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3hov h GLU 138 Cb 0.29 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.24 3hov h GLU 138 CO 0.01 0.00 -0.15 0.41 -1.40 0.00 0.00 179.01 177.88 3hov n GLY 139 N 0.13 0.43 0.00 -3.84 0.00 -1.08 -4.99 105.19 95.84 3hov n GLY 139 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hov n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hov n ASN 140 N -1.64 2.88 -1.75 1.61 3.02 -1.26 -4.92 115.26 113.19 3hov n ASN 140 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3hov n ASN 140 Cb 0.53 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 3hov n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hov n GLY 141 N 2.57 -1.78 2.62 7.41 0.00 -1.26 -2.10 105.19 112.65 3hov n GLY 141 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 3hov n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hov n VAL 142 N 1.69-11.39 -2.30 1.61 0.31 -1.26 -1.88 118.33 105.12 3hov n VAL 142 Ca 0.00 2.48 -0.38 0.00 -0.01 0.00 0.00 64.34 66.43 3hov n VAL 142 Cb 0.00 -5.94 -0.03 0.00 -0.91 0.00 0.00 33.84 26.96 3hov n VAL 142 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hov s LEU 143 N -0.57 3.26 0.14 7.52 2.96 -1.26 -1.47 118.68 129.27 3hov s LEU 143 Ca -0.22 -0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 53.13 3hov s LEU 143 Cb 0.01 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.17 3hov s LEU 143 CO 0.60 -2.11 1.76 0.40 -1.32 0.00 0.00 176.35 175.67 3hov h ILE 144 N 6.64 0.94 -1.33 6.68 2.04 -1.11 -3.48 117.51 127.89 3hov h ILE 144 Ca -0.14 -0.09 0.28 0.00 1.00 0.00 0.00 64.86 65.91 3hov h ILE 144 Cb 1.07 0.66 -0.20 0.00 -0.74 0.00 0.00 36.82 37.61 3hov h ILE 144 CO 1.27 0.05 0.87 0.00 0.00 0.00 0.00 178.15 180.34 3hov s LYS 146 N -2.26 1.78 0.06 0.00 1.02 -1.26 -1.02 119.74 118.05 3hov s LYS 146 Ca 0.10 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.83 3hov s LYS 146 Cb -0.01 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3hov s LYS 146 CO -0.04 0.46 -0.04 -0.48 -0.92 0.00 0.00 175.35 174.33 3hov s LEU 147 N -2.36 2.48 0.00 3.17 2.34 -0.68 -4.66 118.68 118.96 3hov s LEU 147 Ca 0.20 -0.96 0.00 0.00 0.06 0.00 0.00 54.13 53.42 3hov s LEU 147 Cb -0.10 0.10 0.00 0.00 -0.56 0.00 0.00 46.19 45.63 3hov s LEU 147 CO 0.11 -0.53 0.00 -1.14 -1.06 0.00 0.00 176.35 173.73 3hov n ARG 148 N 0.18 0.00 0.00 1.48 0.63 -1.26 -1.08 116.66 116.61 3hov n ARG 148 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 3hov n ARG 148 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 3hov n ARG 148 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hov n LYS 149 N 0.00 0.00 -1.29 -0.14 5.02 -1.26 -4.32 118.16 116.17 3hov n LYS 149 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 3hov n LYS 149 Cb 0.00 -0.20 0.06 0.00 -0.02 0.00 0.00 35.03 34.87 3hov n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hov n GLY 150 N 0.04 5.37 3.72 0.72 0.00 -1.26 -3.42 105.19 110.35 3hov n GLY 150 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3hov n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hov s GLN 151 N -3.30 4.52 0.23 1.61 -0.21 -1.26 -4.86 119.66 116.39 3hov s GLN 151 Ca 0.56 1.19 0.11 0.00 0.02 0.00 0.00 55.36 57.24 3hov s GLN 151 Cb 0.44 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 3hov s GLN 151 CO -0.06 0.06 -0.21 -2.00 -2.12 0.00 0.00 175.29 170.96 3hov s GLU 152 N 0.69 1.54 -0.29 2.91 2.12 -1.26 -1.91 118.70 122.50 3hov s GLU 152 Ca 0.45 -1.61 0.01 0.00 0.36 0.00 0.00 54.97 54.17 3hov s GLU 152 Cb -0.20 -1.72 0.15 0.00 0.26 0.00 0.00 34.13 32.62 3hov s GLU 152 CO 0.24 0.34 0.35 -1.17 -0.54 0.00 0.00 175.26 174.48 3hov s LEU 153 N -3.04 -0.47 -0.28 2.70 2.96 -0.39 -1.28 118.68 118.87 3hov s LEU 153 Ca 0.24 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3hov s LEU 153 Cb -0.06 0.77 0.05 0.00 0.50 0.00 0.00 46.19 47.44 3hov s LEU 153 CO 0.11 -0.37 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.00 3hov s LYS 154 N 2.41 2.50 0.09 1.98 2.20 0.19 -2.20 119.74 126.91 3hov s LYS 154 Ca 0.10 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 3hov s LYS 154 Cb -0.13 -3.10 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3hov s LYS 154 CO -0.31 -0.56 0.00 1.28 -0.36 0.00 0.00 175.35 175.40 3hov n LEU 155 N 4.61 0.00 -3.64 5.43 4.77 -0.48 -0.46 117.00 127.23 3hov n LEU 155 Ca -0.14 -0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 55.20 3hov n LEU 155 Cb 0.44 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3hov n LEU 155 CO 0.26 -0.08 0.39 -0.89 -1.33 0.00 0.00 177.39 175.74 3hov s THR 156 N -1.34 -0.15 0.28 -5.08 2.01 -1.03 -3.43 115.64 106.90 3hov s THR 156 Ca 0.00 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.11 3hov s THR 156 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3hov s THR 156 CO 0.00 0.00 -0.10 0.00 -0.69 0.00 0.00 174.62 173.83 3hov s VAL 158 N -2.44 0.42 0.28 0.00 1.01 -0.67 -2.07 120.40 116.93 3hov s VAL 158 Ca 0.31 -1.30 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 3hov s VAL 158 Cb -0.05 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 3hov s VAL 158 CO 0.17 -0.77 0.93 0.00 0.00 0.00 0.00 175.10 175.43 3hov s ALA 159 N 1.60 3.28 0.23 5.51 0.00 0.24 -1.96 121.76 130.67 3hov s ALA 159 Ca 0.12 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3hov s ALA 159 Cb -0.18 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 3hov s ALA 159 CO -0.23 0.20 0.03 0.15 0.00 0.00 0.00 175.76 175.91 3hov s LYS 160 N -1.63 1.32 0.51 0.00 1.02 -0.74 -2.14 119.74 118.08 3hov s LYS 160 Ca 0.45 -1.68 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 3hov s LYS 160 Cb -0.22 -0.43 -0.07 0.00 -0.52 0.00 0.00 37.83 36.58 3hov s LYS 160 CO 0.27 -0.17 1.02 0.21 -0.92 0.00 0.00 175.35 175.76 3hov s LYS 161 N -3.93 3.77 -0.09 1.68 2.20 -1.26 -2.31 119.74 119.81 3hov s LYS 161 Ca 0.30 1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 56.82 3hov s LYS 161 Cb 0.07 -2.10 0.09 0.00 -1.51 0.00 0.00 37.83 34.38 3hov s LYS 161 CO 0.09 -0.43 1.30 0.41 -0.36 0.00 0.00 175.35 176.35 3hov n GLY 162 N -0.79 0.11 3.41 5.54 0.00 -0.46 -4.90 105.19 108.11 3hov n GLY 162 Ca 0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3hov n GLY 162 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hov s ILE 163 N -2.00 0.45 0.18 -0.61 -4.36 -1.26 -1.41 121.20 112.19 3hov s ILE 163 Ca 0.31 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 3hov s ILE 163 Cb -0.00 -2.45 0.09 0.00 1.25 0.00 0.00 42.46 41.35 3hov s ILE 163 CO -0.03 0.00 1.72 0.00 0.24 0.00 0.00 174.94 176.88 3hov h ALA 164 N 2.01 0.84 -0.96 2.27 0.00 -1.09 -2.93 119.26 119.40 3hov h ALA 164 Ca -0.34 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.56 3hov h ALA 164 Cb 1.26 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 3hov h ALA 164 CO 0.53 0.49 0.61 0.87 0.00 0.00 0.00 179.25 181.74 3hov h LYS 165 N 0.91 0.64 -0.09 0.00 1.57 -1.87 -0.30 116.57 117.44 3hov h LYS 165 Ca 0.21 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 3hov h LYS 165 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hov h LYS 165 CO -0.01 0.42 -0.65 0.93 -0.57 0.00 0.00 179.45 179.57 3hov h GLU 166 N 0.66 0.34 -1.50 3.15 4.39 -1.85 -3.47 114.58 116.30 3hov h GLU 166 Ca 0.52 -0.25 0.20 0.00 0.34 0.00 0.00 59.36 60.17 3hov h GLU 166 Cb 0.94 0.04 -0.21 0.00 -0.10 0.00 0.00 28.75 29.42 3hov h GLU 166 CO -0.28 0.88 0.75 -1.58 -1.16 0.00 0.00 179.01 177.62 3hov s HIS 167 N -3.72 -0.18 0.17 4.33 5.04 -0.13 -5.05 115.29 115.75 3hov s HIS 167 Ca -0.05 0.19 -0.04 0.00 -1.54 0.00 0.00 55.06 53.63 3hov s HIS 167 Cb 0.11 0.50 0.03 0.00 0.04 0.00 0.00 32.58 33.26 3hov s HIS 167 CO 0.82 -0.23 1.43 0.00 -2.34 0.00 0.00 174.74 174.41 3hov h ALA 168 N 2.11 0.56 -0.41 1.58 0.00 -1.84 -3.16 119.26 118.11 3hov h ALA 168 Ca -0.12 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.32 3hov h ALA 168 Cb 1.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3hov h ALA 168 CO 0.25 0.73 0.75 1.57 0.00 0.00 0.00 179.25 182.55 3hov h LYS 169 N 0.36 0.00 -0.01 0.00 2.10 -1.90 0.98 116.57 118.11 3hov h LYS 169 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3hov h LYS 169 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3hov h LYS 169 CO 0.13 0.00 -0.14 0.91 -2.00 0.00 0.00 179.45 178.35 3hov n TRP 170 N -3.15 0.00 -2.62 0.07 8.01 -1.19 -4.85 117.44 113.70 3hov n TRP 170 Ca 0.08 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.87 3hov n TRP 170 Cb 0.90 -0.13 -0.05 0.00 -2.01 0.00 0.00 31.31 30.01 3hov n TRP 170 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hov s GLY 171 N -2.40 3.08 -0.02 6.99 0.00 0.34 -4.27 107.32 111.04 3hov s GLY 171 Ca 0.29 0.74 0.18 0.00 0.00 0.00 0.00 44.72 45.94 3hov s GLY 171 CO 0.47 1.32 0.49 -1.55 0.00 0.00 0.00 173.10 173.83 3hov n PRO 172 N 1.29 0.71 0.00 2.90 -0.04 -1.26 -4.80 135.00 133.80 3hov n PRO 172 Ca -0.01 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3hov n PRO 172 Cb 0.46 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3hov n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hov n ALA 173 N -1.95 -0.15 -2.55 0.55 0.00 -1.26 -2.16 120.51 112.99 3hov n ALA 173 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3hov n ALA 173 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3hov n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov n ALA 174 N -1.35 -3.32 -0.28 0.00 0.00 -1.26 -3.84 120.51 110.46 3hov n ALA 174 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3hov n ALA 174 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3hov n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov n ALA 175 N 0.36 -2.20 -3.43 0.00 0.00 -1.26 -4.66 120.51 109.33 3hov n ALA 175 Ca 0.03 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 3hov n ALA 175 Cb 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 3hov n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hov s ILE 176 N -1.71 -0.57 0.58 0.00 1.01 -1.26 -3.75 121.20 115.49 3hov s ILE 176 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 3hov s ILE 176 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 3hov s ILE 176 CO 0.00 -0.09 1.16 -1.61 0.00 0.00 0.00 174.94 174.40 3hov s GLU 177 N 2.53 3.11 -0.29 2.79 2.02 -0.68 -4.86 118.70 123.32 3hov s GLU 177 Ca 0.09 1.66 -0.15 0.00 0.02 0.00 0.00 54.97 56.60 3hov s GLU 177 Cb -0.15 -1.97 0.12 0.00 0.10 0.00 0.00 34.13 32.23 3hov s GLU 177 CO -0.15 -1.05 0.78 0.12 0.02 0.00 0.00 175.26 174.98 3hov s PHE 178 N -1.79 -0.97 0.25 1.61 5.36 -1.25 -2.47 117.98 118.72 3hov s PHE 178 Ca 0.74 1.83 -0.17 0.00 -0.96 0.00 0.00 56.93 58.37 3hov s PHE 178 Cb -0.26 0.58 0.01 0.00 -0.34 0.00 0.00 43.02 43.01 3hov s PHE 178 CO 0.31 -0.48 0.58 -2.00 -1.46 0.00 0.00 175.22 172.18 3hov s GLU 179 N 1.94 1.62 -0.28 10.12 2.12 -1.17 -5.00 118.70 128.05 3hov s GLU 179 Ca -0.08 -1.09 -0.26 0.00 0.36 0.00 0.00 54.97 53.90 3hov s GLU 179 Cb -0.06 0.53 0.16 0.00 0.26 0.00 0.00 34.13 35.02 3hov s GLU 179 CO -0.18 -0.71 1.27 1.52 -0.54 0.00 0.00 175.26 176.62 3hov s TYR 180 N -3.96 -0.22 -0.80 5.30 -0.85 -1.26 -2.41 117.35 113.16 3hov s TYR 180 Ca 0.16 0.51 -0.05 0.00 -0.52 0.00 0.00 57.07 57.17 3hov s TYR 180 Cb -0.03 0.44 0.01 0.00 0.38 0.00 0.00 41.96 42.76 3hov s TYR 180 CO 0.07 -0.12 0.70 -3.47 -1.52 0.00 0.00 175.55 171.21 3hov n ASP 181 N 1.67 -4.48 -0.15 -0.18 2.03 -1.26 -4.88 116.55 109.30 3hov n ASP 181 Ca -0.10 -0.32 0.23 0.00 0.52 0.00 0.00 54.79 55.12 3hov n ASP 181 Cb 0.57 -3.18 0.36 0.00 -0.72 0.00 0.00 41.12 38.15 3hov n ASP 181 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hov n PRO 182 N -3.15 0.01 -3.57 -0.67 -0.04 -1.26 -1.72 135.00 124.59 3hov n PRO 182 Ca -0.00 0.94 -0.37 0.00 -0.04 0.00 0.00 63.50 64.03 3hov n PRO 182 Cb 0.54 -2.36 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 3hov n PRO 182 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3hov n TRP 183 N -3.02 4.34 -0.11 0.54 7.02 -1.26 -4.79 117.44 120.15 3hov n TRP 183 Ca 0.19 -4.07 0.00 0.00 -1.02 0.00 0.00 57.50 52.61 3hov n TRP 183 Cb 1.38 -1.22 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 3hov n TRP 183 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3hov n ASN 184 N 2.30 -0.12 0.11 -0.99 2.85 -0.70 -4.59 115.26 114.12 3hov n ASN 184 Ca 0.22 -0.06 0.07 0.00 -0.11 0.00 0.00 54.58 54.71 3hov n ASN 184 Cb 0.37 -0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.40 3hov n ASN 184 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3hov h LYS 185 N 0.79 0.00 -0.01 1.20 1.57 -1.94 -3.28 116.57 114.91 3hov h LYS 185 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hov h LYS 185 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3hov h LYS 185 CO 0.06 0.14 -0.46 1.28 -0.57 0.00 0.00 179.45 179.90 3hov n LEU 186 N -2.87 0.98 -1.95 2.94 4.32 -1.26 -4.71 117.00 114.45 3hov n LEU 186 Ca -0.02 -0.27 -0.16 0.00 -0.02 0.00 0.00 56.01 55.54 3hov n LEU 186 Cb 0.65 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3hov n LEU 186 CO 0.40 0.20 -0.14 0.29 -1.22 0.00 0.00 177.39 176.93 3hov n LYS 187 N -0.96 -2.02 0.00 3.23 4.76 -1.24 -4.89 118.16 117.04 3hov n LYS 187 Ca 0.09 0.73 0.07 0.00 -2.87 0.00 0.00 58.31 56.33 3hov n LYS 187 Cb 0.36 -5.10 0.33 0.00 -1.84 0.00 0.00 35.03 28.78 3hov n LYS 187 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3hov n HIS 188 N -4.07 0.00 -4.33 2.13 8.25 -1.26 -4.72 115.22 111.21 3hov n HIS 188 Ca -0.15 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.13 3hov n HIS 188 Cb 0.62 -0.42 -0.10 0.00 1.12 0.00 0.00 29.99 31.22 3hov n HIS 188 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hov s THR 189 N -2.84 0.47 -0.41 1.59 2.01 -1.26 -5.11 115.64 110.08 3hov s THR 189 Ca 0.10 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.14 3hov s THR 189 Cb 0.10 -2.58 0.17 0.00 0.01 0.00 0.00 72.50 70.20 3hov s THR 189 CO 0.25 0.00 0.36 -0.67 -0.69 0.00 0.00 174.62 173.87 3hov n ASP 190 N -0.67 -0.51 -4.60 3.53 -0.08 -1.26 -5.10 116.55 107.85 3hov n ASP 190 Ca 0.00 -2.40 -0.55 0.00 -1.51 0.00 0.00 54.79 50.34 3hov n ASP 190 Cb 0.66 -0.51 -0.07 0.00 2.34 0.00 0.00 41.12 43.54 3hov n ASP 190 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3hov n TYR 191 N 2.76 1.43 -2.09 -0.67 4.02 -1.26 -4.95 117.16 116.40 3hov n TYR 191 Ca 0.29 0.73 -0.32 0.00 -0.01 0.00 0.00 57.90 58.59 3hov n TYR 191 Cb 0.48 -2.30 -0.00 0.00 -0.02 0.00 0.00 39.34 37.50 3hov n TYR 191 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3hov s TRP 192 N 0.92 3.26 0.04 -0.72 -0.00 -1.26 -4.95 118.94 116.23 3hov s TRP 192 Ca 0.88 1.45 -0.20 0.00 -0.00 0.00 0.00 56.10 58.24 3hov s TRP 192 Cb -1.05 -2.87 0.07 0.00 -0.00 0.00 0.00 33.47 29.61 3hov s TRP 192 CO 0.53 -0.80 0.93 2.48 -0.00 0.00 0.00 176.95 180.09 3hov n TYR 193 N -2.10 -0.63 0.03 5.86 0.18 -1.26 -4.83 117.16 114.40 3hov n TYR 193 Ca 0.07 -0.71 0.00 0.00 1.88 0.00 0.00 57.90 59.14 3hov n TYR 193 Cb 0.53 0.33 0.00 0.00 -0.38 0.00 0.00 39.34 39.83 3hov n TYR 193 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3hov n GLU 194 N -0.66 0.00 0.00 -3.48 1.02 -1.26 -5.01 120.64 111.25 3hov n GLU 194 Ca 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.14 3hov n GLU 194 Cb 0.45 -0.45 -0.01 0.00 -0.02 0.00 0.00 31.44 31.42 3hov n GLU 194 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hov n GLN 195 N -3.22 0.11 -4.50 3.49 3.00 -1.26 -5.05 117.38 109.95 3hov n GLN 195 Ca 0.00 0.04 -0.26 0.00 -0.01 0.00 0.00 57.00 56.77 3hov n GLN 195 Cb 0.23 -0.58 -0.17 0.00 0.00 0.00 0.00 30.24 29.71 3hov n GLN 195 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hov s ASP 196 N -5.56 2.04 0.06 1.08 -1.08 -1.26 -5.03 116.67 106.92 3hov s ASP 196 Ca -0.06 -0.34 -0.37 0.00 -0.52 0.00 0.00 52.55 51.26 3hov s ASP 196 Cb 0.01 -0.92 -0.20 0.00 -1.46 0.00 0.00 42.92 40.35 3hov s ASP 196 CO 0.09 0.01 1.58 0.77 0.52 0.00 0.00 175.17 178.14 3hov h SER 197 N 7.22 -1.12 -0.56 -0.34 4.64 -1.92 -2.76 113.55 118.71 3hov h SER 197 Ca -0.30 0.04 0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3hov h SER 197 Cb 1.18 0.29 -0.11 0.00 -0.31 0.00 0.00 62.40 63.45 3hov h SER 197 CO 0.47 -0.78 -0.25 0.00 -0.87 0.00 0.00 176.83 175.40 3hov h ALA 198 N -1.22 0.14 -0.39 5.18 0.00 -1.96 -1.55 119.26 119.46 3hov h ALA 198 Ca -0.13 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hov h ALA 198 Cb 0.99 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3hov h ALA 198 CO 0.20 -0.57 0.21 0.87 0.00 0.00 0.00 179.25 179.96 3hov h LYS 199 N -0.11 0.55 -0.21 0.00 6.56 -1.98 -3.28 116.57 118.10 3hov h LYS 199 Ca 0.25 -0.07 -0.14 0.00 -1.06 0.00 0.00 60.65 59.63 3hov h LYS 199 Cb 0.51 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 3hov h LYS 199 CO -0.63 0.45 -0.47 0.93 -2.06 0.00 0.00 179.45 177.68 3hov h GLU 200 N 0.51 0.54 -5.06 3.15 5.08 -1.18 -3.43 114.58 114.20 3hov h GLU 200 Ca 0.14 -0.30 -0.68 0.00 -1.00 0.00 0.00 59.36 57.52 3hov h GLU 200 Cb 0.07 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.16 3hov h GLU 200 CO -0.02 0.90 -0.11 -1.58 -1.00 0.00 0.00 179.01 177.20 3hov s TRP 201 N -4.13 3.14 0.49 4.33 0.52 -0.61 -5.05 118.94 117.64 3hov s TRP 201 Ca -0.07 -0.21 -0.20 0.00 0.02 0.00 0.00 56.10 55.64 3hov s TRP 201 Cb 0.12 -3.01 -0.11 0.00 -1.15 0.00 0.00 33.47 29.32 3hov s TRP 201 CO 0.83 -0.72 0.44 -2.30 0.02 0.00 0.00 176.95 175.22 3hov n PRO 202 N 5.78 0.47 -3.16 4.98 -0.02 -1.26 -4.85 135.00 136.93 3hov n PRO 202 Ca -0.06 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.30 3hov n PRO 202 Cb 0.48 -1.51 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 3hov n PRO 202 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hov s GLN 203 N -1.70 3.75 0.17 -0.52 0.74 -1.26 -5.08 119.66 115.76 3hov s GLN 203 Ca 0.65 0.28 0.03 0.00 0.05 0.00 0.00 55.36 56.36 3hov s GLN 203 Cb -0.52 -2.54 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 3hov s GLN 203 CO 0.58 0.14 0.30 -1.54 -0.55 0.00 0.00 175.29 174.22 3hov s SER 204 N -2.93 6.33 0.43 6.67 1.04 -1.26 -4.98 113.70 119.00 3hov s SER 204 Ca 0.48 0.15 0.16 0.00 0.48 0.00 0.00 55.95 57.22 3hov s SER 204 Cb -0.11 -1.90 1.06 0.00 0.10 0.00 0.00 66.02 65.18 3hov s SER 204 CO 0.28 0.02 1.92 0.50 0.98 0.00 0.00 173.24 176.94 3hov h LYS 205 N 1.91 0.39 0.00 4.02 3.64 -2.01 0.10 116.57 124.63 3hov h LYS 205 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3hov h LYS 205 Cb 1.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3hov h LYS 205 CO 0.67 0.26 0.00 0.09 -2.27 0.00 0.00 179.45 178.20 3hov n ASN 206 N -4.48 0.00 -0.37 4.20 3.02 -1.26 -2.90 115.26 113.48 3hov n ASN 206 Ca 0.14 0.46 -0.02 0.00 -0.03 0.00 0.00 54.58 55.13 3hov n ASN 206 Cb 0.54 -0.47 0.10 0.00 -0.61 0.00 0.00 39.78 39.34 3hov n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hov n GLU 208 N -4.38 0.00 0.00 0.00 1.02 -1.14 -2.15 120.64 113.99 3hov n GLU 208 Ca 0.11 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3hov n GLU 208 Cb 0.02 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3hov n GLU 208 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hov n TYR 209 N -1.78 0.00 -3.76 -0.32 4.02 -1.18 -4.38 117.16 109.77 3hov n TYR 209 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 3hov n TYR 209 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.21 3hov n TYR 209 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3hov s GLU 210 N -0.52 0.40 0.17 -0.72 2.12 -0.91 -5.14 118.70 114.10 3hov s GLU 210 Ca 0.00 0.43 -0.32 0.00 0.36 0.00 0.00 54.97 55.44 3hov s GLU 210 Cb 0.00 0.19 -0.11 0.00 0.26 0.00 0.00 34.13 34.47 3hov s GLU 210 CO 0.00 -0.05 1.78 -0.25 -0.54 0.00 0.00 175.26 176.20 3hov n ASP 211 N 2.82 4.02 -4.68 -1.70 8.00 -1.26 -4.88 116.55 118.87 3hov n ASP 211 Ca -0.13 1.03 -0.31 0.00 0.71 0.00 0.00 54.79 56.09 3hov n ASP 211 Cb 0.58 -1.56 0.15 0.00 -0.02 0.00 0.00 41.12 40.27 3hov n ASP 211 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3hov s PRO 212 N 1.91 1.15 0.00 -0.24 0.02 -1.26 -4.98 135.00 131.60 3hov s PRO 212 Ca 0.78 1.36 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3hov s PRO 212 Cb -0.49 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3hov s PRO 212 CO 0.35 -2.48 0.61 -0.35 -0.33 0.00 0.00 177.00 174.80 3hov n PRO 213 N -4.11 0.00 -0.90 5.54 -0.04 -1.26 -5.06 135.00 129.18 3hov n PRO 213 Ca 0.10 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3hov n PRO 213 Cb 0.53 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3hov n PRO 213 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3hov n ASN 214 N -1.06 -1.19 0.00 3.54 5.15 -1.26 -4.95 115.26 115.49 3hov n ASN 214 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3hov n ASN 214 Cb 0.00 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 3hov n ASN 214 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hov n GLU 215 N 0.39 0.00 0.00 1.20 1.02 -1.26 -3.43 120.64 118.56 3hov n GLU 215 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hov n GLU 215 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 3hov n GLU 215 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hov n GLY 216 N 0.00 0.00 1.66 0.62 0.00 -1.26 -4.57 105.19 101.65 3hov n GLY 216 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3hov n GLY 216 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hov n ASP 217 N 0.00 -0.89 -4.34 1.61 8.00 -1.22 -4.97 116.55 114.74 3hov n ASP 217 Ca 0.00 0.51 -0.29 0.00 0.71 0.00 0.00 54.79 55.72 3hov n ASP 217 Cb 0.00 -0.46 0.16 0.00 -0.02 0.00 0.00 41.12 40.80 3hov n ASP 217 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3hov s PRO 218 N -0.49 1.02 -0.29 -0.24 0.02 -1.26 -4.98 135.00 128.77 3hov s PRO 218 Ca 0.31 -0.46 -0.29 0.00 0.02 0.00 0.00 61.00 60.58 3hov s PRO 218 Cb -0.41 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.17 3hov s PRO 218 CO 0.29 -2.12 1.20 0.12 -0.33 0.00 0.00 177.00 176.16 3hov s PHE 219 N -3.71 2.90 -0.77 6.54 5.36 -1.26 -4.95 117.98 122.09 3hov s PHE 219 Ca 0.71 1.03 -0.26 0.00 -0.96 0.00 0.00 56.93 57.44 3hov s PHE 219 Cb -0.05 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 38.91 3hov s PHE 219 CO 0.51 -1.32 1.29 0.34 -1.46 0.00 0.00 175.22 174.57 3hov s ASP 220 N 2.20 6.20 -0.02 6.13 2.15 -1.26 -4.80 116.67 127.27 3hov s ASP 220 Ca 0.52 -0.58 0.03 0.00 0.43 0.00 0.00 52.55 52.95 3hov s ASP 220 Cb -0.16 -2.56 -0.25 0.00 -0.30 0.00 0.00 42.92 39.66 3hov s ASP 220 CO 0.18 -1.79 0.76 0.10 -0.17 0.00 0.00 175.17 174.25 3hov h TYR 221 N 9.99 0.24 -0.15 -5.34 -0.00 -1.92 -3.23 116.97 116.55 3hov h TYR 221 Ca -0.23 -0.17 0.04 0.00 0.00 0.00 0.00 58.73 58.37 3hov h TYR 221 Cb 1.05 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 3hov h TYR 221 CO 1.14 1.26 0.28 0.87 -0.00 0.00 0.00 178.16 181.71 3hov h LYS 222 N 0.04 0.00 -6.11 0.10 1.57 -2.01 -3.42 116.57 106.73 3hov h LYS 222 Ca -0.26 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 57.78 3hov h LYS 222 Cb 1.99 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.31 3hov h LYS 222 CO 0.12 0.00 0.96 0.00 -0.57 0.00 0.00 179.45 179.96 3hov n ALA 223 N -2.15 -0.11 -1.41 3.86 0.00 -1.22 -4.98 120.51 114.49 3hov n ALA 223 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hov n ALA 223 Cb 0.38 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3hov n ALA 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hov n GLN 224 N 5.69 3.55 -3.09 0.00 1.13 -1.26 -4.99 117.38 118.41 3hov n GLN 224 Ca 0.30 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.38 3hov n GLN 224 Cb 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.47 3hov n GLN 224 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hov s ALA 225 N -3.59 -3.10 0.44 -1.58 0.00 -1.26 -4.95 121.76 107.72 3hov s ALA 225 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.86 3hov s ALA 225 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3hov s ALA 225 CO 0.00 -2.15 0.05 0.16 0.00 0.00 0.00 175.76 173.82 3hov s ASP 226 N 2.33 3.39 -0.02 0.00 3.84 -1.26 -3.94 116.67 121.01 3hov s ASP 226 Ca 0.16 -1.58 -0.01 0.00 -0.00 0.00 0.00 52.55 51.12 3hov s ASP 226 Cb -0.04 0.30 0.00 0.00 -1.38 0.00 0.00 42.92 41.81 3hov s ASP 226 CO -0.17 -0.79 0.02 0.41 -0.00 0.00 0.00 175.17 174.65 3hov n THR 227 N -1.02 -3.81 -4.41 2.11 -1.04 -1.20 -4.84 114.28 100.07 3hov n THR 227 Ca -0.10 0.26 -0.27 0.00 -2.04 0.00 0.00 64.05 61.90 3hov n THR 227 Cb 0.66 -3.90 -0.17 0.00 -1.82 0.00 0.00 70.33 65.10 3hov n THR 227 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3hov s PHE 228 N -0.09 1.71 -0.83 -1.42 0.40 0.33 -4.55 117.98 113.54 3hov s PHE 228 Ca -0.02 -0.76 -0.22 0.00 -0.60 0.00 0.00 56.93 55.33 3hov s PHE 228 Cb 0.00 -1.27 0.08 0.00 0.51 0.00 0.00 43.02 42.34 3hov s PHE 228 CO 0.08 -0.41 1.14 0.71 0.70 0.00 0.00 175.22 177.44 3hov s TYR 229 N 1.00 2.76 0.33 0.36 1.51 -1.01 -1.65 117.35 120.65 3hov s TYR 229 Ca -0.07 -0.84 0.07 0.00 -1.01 0.00 0.00 57.07 55.22 3hov s TYR 229 Cb -0.15 -4.40 -0.02 0.00 -0.11 0.00 0.00 41.96 37.28 3hov s TYR 229 CO -0.01 -1.69 0.34 -1.64 -1.11 0.00 0.00 175.55 171.43 3hov s MET 230 N 3.94 2.85 -0.25 -0.62 -1.94 -0.98 -3.04 119.30 119.26 3hov s MET 230 Ca 0.31 -1.20 -0.02 0.00 -1.71 0.00 0.00 55.69 53.07 3hov s MET 230 Cb -0.09 -2.58 0.13 0.00 2.01 0.00 0.00 34.83 34.30 3hov s MET 230 CO 0.00 0.11 0.33 1.21 -0.01 0.00 0.00 175.02 176.66 3hov s ASN 231 N -4.03 0.78 -0.63 3.03 2.47 -1.03 -1.84 114.94 113.69 3hov s ASN 231 Ca 0.41 -0.13 -0.19 0.00 0.42 0.00 0.00 52.86 53.38 3hov s ASN 231 Cb -0.07 0.83 0.11 0.00 -1.45 0.00 0.00 41.25 40.68 3hov s ASN 231 CO 0.28 -0.33 0.74 -0.69 -3.72 0.00 0.00 177.10 173.38 3hov s VAL 232 N 2.46 4.84 0.59 -5.21 1.01 -1.25 -1.69 120.40 121.16 3hov s VAL 232 Ca 0.10 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3hov s VAL 232 Cb -0.15 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 3hov s VAL 232 CO -0.20 -1.16 1.01 -0.70 0.00 0.00 0.00 175.10 174.06 3hov s GLU 233 N 2.58 3.69 0.09 2.72 2.12 -1.25 -2.73 118.70 125.92 3hov s GLU 233 Ca 0.13 0.79 0.04 0.00 0.36 0.00 0.00 54.97 56.29 3hov s GLU 233 Cb -0.22 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 3hov s GLU 233 CO 0.04 -0.48 -0.11 0.45 -0.54 0.00 0.00 175.26 174.63 3hov s SER 234 N -3.89 1.45 0.12 -1.70 0.15 -0.21 -4.56 113.70 105.06 3hov s SER 234 Ca 0.56 -0.75 0.13 0.00 0.70 0.00 0.00 55.95 56.59 3hov s SER 234 Cb -0.11 -0.00 -0.11 0.00 -1.71 0.00 0.00 66.02 64.09 3hov s SER 234 CO 0.48 -0.22 1.09 0.58 1.20 0.00 0.00 173.24 176.37 3hov h VAL 235 N 3.78 0.98 0.00 4.45 2.07 -1.58 -3.48 116.25 122.48 3hov h VAL 235 Ca -0.38 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.58 3hov h VAL 235 Cb 1.19 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3hov h VAL 235 CO 0.49 0.56 0.00 0.61 0.02 0.00 0.00 177.57 179.25 3hov n GLY 236 N 1.36 4.02 0.55 2.17 0.00 -1.26 -4.97 105.19 107.06 3hov n GLY 236 Ca -0.05 -0.86 0.34 0.00 0.00 0.00 0.00 46.02 45.45 3hov n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hov n SER 237 N 0.00 0.00 -3.87 1.61 3.41 -1.26 -4.18 113.62 109.33 3hov n SER 237 Ca 0.00 0.77 -0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3hov n SER 237 Cb 0.00 -0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 63.51 3hov n SER 237 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hov s ILE 238 N -4.41 0.03 0.10 -1.33 1.01 -1.26 -1.46 121.20 113.89 3hov s ILE 238 Ca -0.03 -0.27 -0.31 0.00 0.00 0.00 0.00 60.65 60.04 3hov s ILE 238 Cb 0.17 -0.21 -0.09 0.00 0.01 0.00 0.00 42.46 42.33 3hov s ILE 238 CO 0.57 -0.15 1.78 -2.84 0.00 0.00 0.00 174.94 174.30 3hov s PRO 239 N -0.45 4.16 0.23 2.79 0.02 -1.26 -4.74 135.00 135.75 3hov s PRO 239 Ca -0.05 2.50 0.14 0.00 0.02 0.00 0.00 61.00 63.61 3hov s PRO 239 Cb -0.03 -3.64 0.83 0.00 0.02 0.00 0.00 34.50 31.68 3hov s PRO 239 CO 0.00 -0.81 0.95 1.33 -0.33 0.00 0.00 177.00 178.14 3hov n VAL 240 N 4.79 -0.24 -0.09 3.83 0.24 -1.26 0.17 118.33 125.78 3hov n VAL 240 Ca 0.17 1.21 -0.10 0.00 -2.04 0.00 0.00 64.34 63.57 3hov n VAL 240 Cb 0.39 -1.96 -0.03 0.00 -1.47 0.00 0.00 33.84 30.77 3hov n VAL 240 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3hov h ASP 241 N 0.00 0.42 -0.53 -1.34 2.03 -1.91 -3.10 116.42 111.98 3hov h ASP 241 Ca 0.52 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 3hov h ASP 241 Cb 1.41 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.78 3hov h ASP 241 CO -0.44 0.52 0.33 1.56 -1.03 0.00 0.00 179.24 180.19 3hov h GLN 242 N 0.29 0.70 0.00 4.15 1.08 0.14 -0.31 115.11 121.16 3hov h GLN 242 Ca 0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3hov h GLN 242 Cb 0.26 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3hov h GLN 242 CO -0.00 0.49 0.07 0.28 -0.95 0.00 0.00 178.83 178.72 3hov n VAL 243 N -4.70 0.95 -0.03 -0.54 0.31 -1.01 0.11 118.33 113.42 3hov n VAL 243 Ca 0.03 0.31 -0.04 0.00 -0.01 0.00 0.00 64.34 64.63 3hov n VAL 243 Cb 0.04 -1.31 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 3hov n VAL 243 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hov n VAL 244 N -1.19 0.36 -0.04 2.52 0.31 -0.41 -4.01 118.33 115.87 3hov n VAL 244 Ca 0.00 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 3hov n VAL 244 Cb 0.07 -0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 32.13 3hov n VAL 244 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hov h VAL 245 N 0.00 1.17 -0.91 2.52 2.07 0.56 -0.89 116.25 120.77 3hov h VAL 245 Ca -0.14 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 65.71 3hov h VAL 245 Cb 1.26 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 33.13 3hov h VAL 245 CO -0.01 0.38 0.59 0.03 0.02 0.00 0.00 177.57 178.58 3hov h ARG 246 N -0.95 0.98 0.52 1.57 3.08 0.48 0.58 114.38 120.64 3hov h ARG 246 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3hov h ARG 246 Cb 0.65 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3hov h ARG 246 CO 0.01 0.65 -0.37 0.78 -1.07 0.00 0.00 179.97 179.96 3hov h GLY 247 N 1.01 -0.96 1.15 0.04 0.00 -1.58 0.55 103.07 103.28 3hov h GLY 247 Ca 0.40 0.42 0.09 0.00 0.00 0.00 0.00 47.33 48.24 3hov h GLY 247 CO -0.16 -0.34 0.34 -2.22 0.00 0.00 0.00 176.54 174.16 3hov h ILE 248 N -0.87 0.41 0.00 2.60 2.04 0.70 -2.62 117.51 119.78 3hov h ILE 248 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hov h ILE 248 Cb 0.73 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3hov h ILE 248 CO 0.02 0.00 -0.30 -0.78 0.00 0.00 0.00 178.15 177.09 3hov h ASP 249 N 0.00 0.00 -0.80 1.72 3.58 0.13 -3.25 116.42 117.80 3hov h ASP 249 Ca 0.14 -0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.49 3hov h ASP 249 Cb 0.82 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.77 3hov h ASP 249 CO -0.00 0.75 -0.49 0.74 -2.88 0.00 0.00 179.24 177.35 3hov h THR 250 N -1.00 0.00 -1.03 2.25 2.02 0.35 0.64 112.91 116.14 3hov h THR 250 Ca -0.04 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.40 3hov h THR 250 Cb 0.43 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.75 3hov h THR 250 CO -0.02 0.00 0.66 0.25 0.37 0.00 0.00 175.52 176.78 3hov h LEU 251 N -0.03 0.45 0.07 2.58 5.85 -1.67 -0.70 115.31 121.86 3hov h LEU 251 Ca 0.13 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3hov h LEU 251 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3hov h LEU 251 CO -0.77 0.10 -0.03 -0.61 -0.34 0.00 0.00 178.44 176.79 3hov h GLN 252 N 0.40 -0.09 -0.87 1.25 4.15 0.17 -1.80 115.11 118.33 3hov h GLN 252 Ca 0.58 0.01 0.06 0.00 0.77 0.00 0.00 58.65 60.07 3hov h GLN 252 Cb 1.46 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 29.11 3hov h GLN 252 CO -0.28 0.29 0.57 0.87 -1.93 0.00 0.00 178.83 178.34 3hov h LYS 253 N -0.48 0.94 0.62 1.69 1.57 -0.01 0.51 116.57 121.41 3hov h LYS 253 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3hov h LYS 253 Cb 0.42 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3hov h LYS 253 CO 0.02 0.62 -0.38 0.87 -0.57 0.00 0.00 179.45 180.01 3hov h LYS 254 N 0.97 -0.91 -0.27 3.15 1.57 -1.04 0.11 116.57 120.16 3hov h LYS 254 Ca 0.37 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.29 3hov h LYS 254 Cb 0.21 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hov h LYS 254 CO -0.14 -0.60 0.32 0.28 -0.57 0.00 0.00 179.45 178.74 3hov h VAL 255 N -0.94 0.39 0.43 0.50 2.07 -0.35 -1.82 116.25 116.52 3hov h VAL 255 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3hov h VAL 255 Cb 0.76 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hov h VAL 255 CO 0.08 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.47 3hov h ALA 256 N 1.62 -0.57 0.00 1.67 0.00 0.65 -3.14 119.26 119.48 3hov h ALA 256 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hov h ALA 256 Cb 0.76 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hov h ALA 256 CO -0.00 -0.58 0.58 0.66 0.00 0.00 0.00 179.25 179.91 3hov h SER 257 N -1.05 0.00 0.24 0.00 4.64 0.04 0.89 113.55 118.31 3hov h SER 257 Ca -0.06 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.03 3hov h SER 257 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3hov h SER 257 CO 0.10 0.00 -0.92 0.40 -0.87 0.00 0.00 176.83 175.54 3hov h ILE 258 N 0.00 1.37 0.29 0.95 5.03 -1.49 -0.72 117.51 122.94 3hov h ILE 258 Ca 0.00 -2.34 -0.01 0.00 -0.12 0.00 0.00 64.86 62.38 3hov h ILE 258 Cb 1.17 2.34 0.00 0.00 -3.03 0.00 0.00 36.82 37.31 3hov h ILE 258 CO 0.00 0.71 -0.14 -0.07 -0.68 0.00 0.00 178.15 177.97 3hov h LEU 259 N 0.29 -0.33 -1.12 1.44 -0.00 0.69 -1.26 115.31 115.01 3hov h LEU 259 Ca -0.08 -0.20 0.34 0.00 -0.00 0.00 0.00 57.88 57.94 3hov h LEU 259 Cb 1.55 0.09 -0.14 0.00 -0.00 0.00 0.00 40.66 42.16 3hov h LEU 259 CO 0.17 0.09 0.63 0.25 -0.00 0.00 0.00 178.44 179.58 3hov h LEU 260 N -0.84 0.45 0.14 1.67 5.85 -1.25 0.31 115.31 121.64 3hov h LEU 260 Ca -0.04 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hov h LEU 260 Cb 0.52 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3hov h LEU 260 CO 0.07 -0.13 -0.07 0.00 -0.34 0.00 0.00 178.44 177.97 3hov h ALA 261 N 1.78 -0.19 -0.85 1.25 0.00 -1.03 -2.77 119.26 117.46 3hov h ALA 261 Ca 0.74 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.66 3hov h ALA 261 Cb 1.84 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3hov h ALA 261 CO -0.54 -0.31 0.79 -0.07 0.00 0.00 0.00 179.25 179.12 3hov h LEU 262 N -0.79 0.00 0.28 0.00 3.38 0.74 -1.68 115.31 117.25 3hov h LEU 262 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hov h LEU 262 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hov h LEU 262 CO 0.03 0.00 -0.13 0.74 0.09 0.00 0.00 178.44 179.17 3hov h THR 263 N 0.00 0.00 -0.12 0.22 2.02 -0.75 -2.93 112.91 111.35 3hov h THR 263 Ca 0.40 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3hov h THR 263 Cb 1.98 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3hov h THR 263 CO -0.00 0.00 0.24 1.56 0.37 0.00 0.00 175.52 177.69 3hov h GLN 264 N -0.82 0.00 0.00 6.66 4.20 -1.11 0.83 115.11 124.87 3hov h GLN 264 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hov h GLN 264 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3hov h GLN 264 CO 0.06 0.00 -0.05 1.98 -0.67 0.00 0.00 178.83 180.15 3hov h MET 265 N 0.00 0.00 0.00 1.46 4.05 -1.38 -3.19 114.93 115.86 3hov h MET 265 Ca 0.05 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.37 3hov h MET 265 Cb 0.54 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 3hov h MET 265 CO -0.00 0.00 -0.51 -0.44 0.23 0.00 0.00 176.91 176.19 3hov h ASP 266 N 0.00 0.00 -1.04 1.39 5.19 0.89 -3.20 116.42 119.65 3hov h ASP 266 Ca 0.00 0.00 0.35 0.00 -0.62 0.00 0.00 57.03 56.76 3hov h ASP 266 Cb 0.87 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.23 3hov h ASP 266 CO 0.00 0.51 0.60 1.56 -3.12 0.00 0.00 179.24 178.78 3hov h GLN 267 N 0.00 0.24 0.00 3.56 1.08 -1.61 -3.52 115.11 114.86 3hov h GLN 267 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3hov h GLN 267 Cb 0.91 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 3hov h GLN 267 CO 0.07 0.16 0.00 -0.25 -0.95 0.00 0.00 178.83 177.86