#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hho h TYR 3 N 0.00 0.62 -0.01 -2.53 0.05 -1.97 -2.49 116.97 110.64 3hho h TYR 3 Ca 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3hho h TYR 3 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.57 3hho h TYR 3 CO 0.00 0.64 -0.08 0.74 -1.05 0.00 0.00 178.16 178.41 3hho h PHE 4 N 0.54 0.09 -0.35 4.88 0.04 -1.92 -3.29 116.94 116.93 3hho h PHE 4 Ca 0.10 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.86 3hho h PHE 4 Cb 0.46 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 3hho h PHE 4 CO 0.02 0.80 -0.26 0.93 -0.60 0.00 0.00 178.31 179.19 3hho h GLU 5 N -0.64 -0.06 -0.25 1.51 5.08 -1.72 0.09 114.58 118.59 3hho h GLU 5 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3hho h GLU 5 Cb 0.82 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3hho h GLU 5 CO 0.02 -0.04 -0.09 1.28 -1.00 0.00 0.00 179.01 179.17 3hho n LEU 6 N -3.98 -0.15 -1.05 1.33 4.32 -0.95 0.12 117.00 116.65 3hho n LEU 6 Ca -0.00 0.43 0.11 0.00 -0.02 0.00 0.00 56.01 56.53 3hho n LEU 6 Cb 0.13 -0.10 0.27 0.00 -1.62 0.00 0.00 43.42 42.09 3hho n LEU 6 CO -0.04 -0.39 0.73 0.49 -1.22 0.00 0.00 177.39 176.95 3hho n PHE 7 N -4.37 0.59 -3.27 -1.77 3.72 -0.08 -4.92 117.46 107.37 3hho n PHE 7 Ca 0.03 -0.30 -0.23 0.00 -0.05 0.00 0.00 57.45 56.90 3hho n PHE 7 Cb 0.10 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3hho n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hho n GLY 8 N 1.43 -0.53 3.84 1.37 0.00 0.33 -5.00 105.19 106.63 3hho n GLY 8 Ca 0.19 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 3hho n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hho s LEU 9 N -6.93 3.41 0.01 0.99 1.43 -0.63 -5.02 118.68 111.94 3hho s LEU 9 Ca 0.42 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3hho s LEU 9 Cb -0.19 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 3hho s LEU 9 CO 0.52 -0.51 0.40 -2.16 0.23 0.00 0.00 176.35 174.84 3hho s PRO 10 N -4.03 3.89 -0.88 1.29 0.05 -1.26 -4.32 135.00 129.74 3hho s PRO 10 Ca 0.44 0.37 -0.25 0.00 0.05 0.00 0.00 61.00 61.61 3hho s PRO 10 Cb -0.03 -3.19 -0.07 0.00 0.05 0.00 0.00 34.50 31.26 3hho s PRO 10 CO 0.26 0.68 2.07 0.42 0.05 0.00 0.00 177.00 180.48 3hho s ILE 11 N -1.12 3.33 -0.12 0.56 1.01 -1.26 -4.80 121.20 118.79 3hho s ILE 11 Ca 0.25 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 3hho s ILE 11 Cb -0.16 -3.76 0.12 0.00 0.01 0.00 0.00 42.46 38.67 3hho s ILE 11 CO 0.14 -0.69 0.95 0.00 0.00 0.00 0.00 174.94 175.34 3hho s GLN 12 N 7.51 0.67 0.14 2.79 -2.07 -1.26 -5.06 119.66 122.38 3hho s GLN 12 Ca 0.76 0.08 -0.12 0.00 -1.82 0.00 0.00 55.36 54.26 3hho s GLN 12 Cb -0.08 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3hho s GLN 12 CO 0.02 -0.23 1.55 0.35 -1.32 0.00 0.00 175.29 175.66 3hho h PHE 13 N 2.50 0.99 -3.61 9.60 3.57 -1.95 -3.42 116.94 124.62 3hho h PHE 13 Ca -0.20 -0.22 -0.53 0.00 3.53 0.00 0.00 57.97 60.56 3hho h PHE 13 Cb 1.17 -0.24 0.07 0.00 2.79 0.00 0.00 35.95 39.75 3hho h PHE 13 CO 0.29 0.98 0.75 -1.21 -2.23 0.00 0.00 178.31 176.90 3hho s GLU 14 N -4.79 4.24 -0.28 1.11 8.01 -1.26 -5.00 118.70 120.73 3hho s GLU 14 Ca -0.12 2.38 -0.22 0.00 0.01 0.00 0.00 54.97 57.01 3hho s GLU 14 Cb 0.11 -3.06 0.09 0.00 -4.31 0.00 0.00 34.13 26.97 3hho s GLU 14 CO 0.84 -0.42 0.83 -1.17 0.01 0.00 0.00 175.26 175.35 3hho s LEU 15 N -1.09 -0.68 -0.32 1.80 0.20 -1.26 -4.94 118.68 112.40 3hho s LEU 15 Ca 0.56 1.23 -0.29 0.00 0.69 0.00 0.00 54.13 56.32 3hho s LEU 15 Cb -0.43 2.21 -0.01 0.00 -0.43 0.00 0.00 46.19 47.53 3hho s LEU 15 CO 0.50 -0.21 1.56 -0.62 -0.29 0.00 0.00 176.35 177.30 3hho s ASP 16 N 0.69 6.27 0.34 3.68 -1.08 -1.26 -4.90 116.67 120.41 3hho s ASP 16 Ca -0.02 1.24 0.06 0.00 -0.52 0.00 0.00 52.55 53.30 3hho s ASP 16 Cb -0.05 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.59 3hho s ASP 16 CO -0.07 -1.41 1.91 1.23 0.52 0.00 0.00 175.17 177.34 3hho h GLY 17 N 12.29 1.16 1.09 2.66 0.00 -1.99 -1.43 103.07 116.86 3hho h GLY 17 Ca -0.31 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.51 3hho h GLY 17 CO 1.04 0.19 -1.37 1.48 0.00 0.00 0.00 176.54 177.88 3hho h SER 18 N 0.81 0.00 0.75 0.19 4.64 -1.99 -2.32 113.55 115.62 3hho h SER 18 Ca 0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 3hho h SER 18 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3hho h SER 18 CO -0.16 0.64 -0.23 0.25 -0.87 0.00 0.00 176.83 176.46 3hho h LEU 19 N 0.00 0.00 0.24 5.97 6.46 -1.91 -2.73 115.31 123.34 3hho h LEU 19 Ca -0.16 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.27 3hho h LEU 19 Cb 1.64 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 41.60 3hho h LEU 19 CO 0.05 0.23 -1.46 0.25 -0.62 0.00 0.00 178.44 176.90 3hho h LEU 20 N 0.00 0.78 0.49 2.25 5.85 -1.22 -3.00 115.31 120.46 3hho h LEU 20 Ca -0.00 -0.93 -0.02 0.00 0.84 0.00 0.00 57.88 57.77 3hho h LEU 20 Cb 0.67 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3hho h LEU 20 CO 0.03 1.69 -0.24 0.28 -0.34 0.00 0.00 178.44 179.87 3hho h SER 21 N 0.08 -0.56 -0.30 1.25 0.02 -1.33 -0.16 113.55 112.54 3hho h SER 21 Ca -0.26 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.77 3hho h SER 21 Cb 2.11 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 64.71 3hho h SER 21 CO 0.25 -0.40 -0.44 0.77 -1.14 0.00 0.00 176.83 175.87 3hho h SER 22 N -0.66 -1.42 -0.81 3.07 4.64 -1.68 0.51 113.55 117.20 3hho h SER 22 Ca -0.07 0.20 0.20 0.00 -0.47 0.00 0.00 61.79 61.66 3hho h SER 22 Cb 0.51 0.60 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 3hho h SER 22 CO 0.11 -0.39 0.56 1.56 -0.87 0.00 0.00 176.83 177.79 3hho h GLN 23 N -0.40 0.20 -0.22 4.77 1.08 -1.54 0.32 115.11 119.33 3hho h GLN 23 Ca 0.11 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 3hho h GLN 23 Cb 0.60 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 3hho h GLN 23 CO -0.51 0.13 -0.50 0.35 -0.95 0.00 0.00 178.83 177.35 3hho h PHE 24 N 0.21 0.75 0.00 2.96 3.57 0.99 -2.96 116.94 122.45 3hho h PHE 24 Ca 0.40 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3hho h PHE 24 Cb 1.26 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3hho h PHE 24 CO -0.00 0.98 -0.26 0.54 -2.23 0.00 0.00 178.31 177.34 3hho n ARG 25 N -3.99 0.06 0.13 1.11 1.74 0.10 -1.12 116.66 114.69 3hho n ARG 25 Ca -0.03 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 3hho n ARG 25 Cb 0.58 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 3hho n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hho h ALA 26 N 2.90 -0.07 -0.37 7.54 0.00 -1.22 -2.74 119.26 125.30 3hho h ALA 26 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 54.91 53.83 3hho h ALA 26 Cb 0.55 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3hho h ALA 26 CO 0.00 0.79 -0.33 -0.07 0.00 0.00 0.00 179.25 179.64 3hho h LEU 27 N 0.14 0.92 -0.25 0.00 -0.00 -1.36 -1.85 115.31 112.90 3hho h LEU 27 Ca -0.28 -0.46 -0.17 0.00 -0.00 0.00 0.00 57.88 56.98 3hho h LEU 27 Cb 2.15 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.55 3hho h LEU 27 CO 0.25 1.19 -0.50 -0.61 -0.00 0.00 0.00 178.44 178.77 3hho h GLN 28 N 0.67 0.78 0.17 1.13 4.15 -1.26 0.32 115.11 121.08 3hho h GLN 28 Ca 0.06 -0.50 0.01 0.00 0.77 0.00 0.00 58.65 58.99 3hho h GLN 28 Cb 0.91 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.63 3hho h GLN 28 CO 0.08 1.13 -0.29 -0.22 -1.93 0.00 0.00 178.83 177.61 3hho h LYS 29 N 0.53 -0.52 -0.09 1.69 3.64 -1.55 -1.93 116.57 118.34 3hho h LYS 29 Ca 0.01 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hho h LYS 29 Cb 1.10 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3hho h LYS 29 CO 0.11 -0.35 0.06 -0.09 -2.27 0.00 0.00 179.45 176.91 3hho h ARG 30 N -0.54 0.12 -0.65 1.90 2.43 -1.15 -3.15 114.38 113.34 3hho h ARG 30 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hho h ARG 30 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3hho h ARG 30 CO -0.14 0.11 0.00 1.19 -1.51 0.00 0.00 179.97 179.62 3hho n PHE 31 N -5.01 1.30 -1.74 2.20 3.01 0.11 -4.93 117.46 112.40 3hho n PHE 31 Ca -0.05 -0.48 -0.42 0.00 1.01 0.00 0.00 57.45 57.50 3hho n PHE 31 Cb 0.04 -0.28 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 3hho n PHE 31 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3hho n HIS 32 N 0.67 2.74 0.05 1.38 -0.00 -0.73 -4.55 115.22 114.77 3hho n HIS 32 Ca 0.20 0.44 0.09 0.00 0.46 0.00 0.00 57.72 58.91 3hho n HIS 32 Cb 0.80 -2.51 0.54 0.00 -0.12 0.00 0.00 29.99 28.70 3hho n HIS 32 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hho h PRO 33 N 3.25 0.28 0.00 1.57 0.11 -1.89 -2.73 132.00 132.58 3hho h PRO 33 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hho h PRO 33 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hho h PRO 33 CO 0.67 0.19 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.14 3hho h ASP 34 N 0.29 0.00 0.27 -2.05 5.19 -1.97 -1.22 116.42 116.94 3hho h ASP 34 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3hho h ASP 34 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3hho h ASP 34 CO -0.03 0.07 0.00 0.59 -3.12 0.00 0.00 179.24 176.75 3hho n ASN 35 N -3.31 0.00 -0.18 6.45 3.02 -1.03 -2.90 115.26 117.30 3hho n ASN 35 Ca -0.01 -0.41 0.06 0.00 -0.03 0.00 0.00 54.58 54.20 3hho n ASN 35 Cb 0.26 -0.16 0.09 0.00 -0.61 0.00 0.00 39.78 39.35 3hho n ASN 35 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hho n PHE 36 N -1.16 0.00 0.21 3.10 3.72 -0.47 -4.82 117.46 118.04 3hho n PHE 36 Ca 0.16 -0.67 0.18 0.00 -0.05 0.00 0.00 57.45 57.07 3hho n PHE 36 Cb 0.16 -0.11 0.82 0.00 -0.94 0.00 0.00 39.48 39.40 3hho n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hho h ALA 37 N 0.00 1.73 0.00 4.37 0.00 -1.43 -1.72 119.26 122.21 3hho h ALA 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hho h ALA 37 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hho h ALA 37 CO 0.00 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.08 3hho n THR 38 N -3.46 0.73 -1.23 0.00 -2.24 -1.26 -5.06 114.28 101.76 3hho n THR 38 Ca 0.02 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 3hho n THR 38 Cb 0.43 0.65 0.17 0.00 -2.10 0.00 0.00 70.33 69.49 3hho n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hho s ALA 39 N -0.73 1.08 0.79 6.98 0.00 -0.65 -5.00 121.76 124.24 3hho s ALA 39 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 3hho s ALA 39 Cb 0.00 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 20.10 3hho s ALA 39 CO 0.00 -2.76 1.17 -1.54 0.00 0.00 0.00 175.76 172.64 3hho s SER 40 N -3.56 3.83 0.29 0.00 1.04 -1.26 -4.73 113.70 109.30 3hho s SER 40 Ca 0.65 2.24 -0.02 0.00 0.48 0.00 0.00 55.95 59.31 3hho s SER 40 Cb -0.18 -2.57 0.64 0.00 0.10 0.00 0.00 66.02 64.01 3hho s SER 40 CO 0.57 -2.50 1.59 -0.08 0.98 0.00 0.00 173.24 173.80 3hho h GLU 41 N -0.88 0.04 -0.03 4.02 4.81 -1.99 -1.93 114.58 118.63 3hho h GLU 41 Ca -0.46 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.55 3hho h GLU 41 Cb 1.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3hho h GLU 41 CO 0.47 0.03 -0.88 0.07 -0.73 0.00 0.00 179.01 177.97 3hho h ARG 42 N 0.05 0.46 -0.48 1.92 0.11 -2.00 -3.12 114.38 111.31 3hho h ARG 42 Ca 0.54 -0.45 -0.05 0.00 0.10 0.00 0.00 59.98 60.12 3hho h ARG 42 Cb 1.04 0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 3hho h ARG 42 CO -0.85 1.10 0.11 -0.44 0.10 0.00 0.00 179.97 179.98 3hho h ASP 43 N 0.28 0.74 0.28 0.08 3.32 -1.70 -3.03 116.42 116.39 3hho h ASP 43 Ca -0.07 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3hho h ASP 43 Cb 1.50 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 3hho h ASP 43 CO 0.16 0.79 -0.34 0.03 -1.72 0.00 0.00 179.24 178.15 3hho h ARG 44 N 0.65 -0.64 -1.78 3.56 3.08 -1.52 -0.70 114.38 117.02 3hho h ARG 44 Ca 0.15 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hho h ARG 44 Cb 0.34 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3hho h ARG 44 CO 0.00 -0.43 0.00 1.28 -1.07 0.00 0.00 179.97 179.75 3hho n LEU 45 N -5.44 0.00 0.00 3.04 4.32 -1.14 -1.20 117.00 116.58 3hho n LEU 45 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 3hho n LEU 45 Cb 0.35 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 3hho n LEU 45 CO 0.26 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.43 3hho n ALA 47 N 0.91 0.00 0.08 -1.18 0.00 -0.27 -2.10 120.51 117.94 3hho n ALA 47 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3hho n ALA 47 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3hho n ALA 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3hho h VAL 48 N 0.00 1.63 0.58 0.00 3.04 -1.42 -1.54 116.25 118.53 3hho h VAL 48 Ca 0.00 -3.11 -0.03 0.00 -1.01 0.00 0.00 66.70 62.55 3hho h VAL 48 Cb 0.00 2.71 0.01 0.00 -2.01 0.00 0.00 31.29 32.00 3hho h VAL 48 CO 0.00 0.89 -0.28 1.56 -1.01 0.00 0.00 177.57 178.74 3hho h GLN 49 N 0.02 -0.75 -0.53 4.17 4.20 -1.68 -0.07 115.11 120.48 3hho h GLN 49 Ca -0.03 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.89 3hho h GLN 49 Cb 1.66 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.59 3hho h GLN 49 CO 0.13 -0.44 0.39 0.37 -0.67 0.00 0.00 178.83 178.61 3hho h GLN 50 N -1.04 0.00 0.00 1.46 5.75 -1.82 0.56 115.11 120.02 3hho h GLN 50 Ca -0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3hho h GLN 50 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 3hho h GLN 50 CO 0.13 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.31 3hho h ALA 51 N 1.72 1.00 0.10 3.38 0.00 -1.17 -2.53 119.26 121.77 3hho h ALA 51 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3hho h ALA 51 Cb 1.02 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.83 3hho h ALA 51 CO -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.63 3hho h ALA 52 N 2.01 -0.06 -1.08 0.00 0.00 0.19 -2.97 119.26 117.36 3hho h ALA 52 Ca 0.00 -0.64 0.29 0.00 0.00 0.00 0.00 54.91 54.56 3hho h ALA 52 Cb 0.95 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 3hho h ALA 52 CO 0.00 0.29 0.72 0.37 0.00 0.00 0.00 179.25 180.63 3hho h GLN 53 N -0.49 0.27 0.03 0.00 4.15 -0.49 0.39 115.11 118.97 3hho h GLN 53 Ca -0.11 -0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.04 3hho h GLN 53 Cb 1.48 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 29.12 3hho h GLN 53 CO 0.12 0.18 -1.07 0.82 -1.93 0.00 0.00 178.83 176.95 3hho h ILE 54 N 0.27 1.33 -0.43 2.39 5.03 -1.50 -2.12 117.51 122.48 3hho h ILE 54 Ca 0.59 -2.41 -0.03 0.00 -0.12 0.00 0.00 64.86 62.89 3hho h ILE 54 Cb 1.73 2.49 -0.02 0.00 -3.03 0.00 0.00 36.82 37.99 3hho h ILE 54 CO -0.22 0.73 0.15 0.78 -0.68 0.00 0.00 178.15 178.90 3hho h ASN 55 N 0.30 0.61 0.26 1.72 2.35 -0.87 -2.33 115.58 117.62 3hho h ASN 55 Ca -0.13 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3hho h ASN 55 Cb 1.72 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.93 3hho h ASN 55 CO 0.20 0.64 -0.13 0.44 -1.65 0.00 0.00 177.43 176.93 3hho h ASP 56 N 0.55 -0.30 -0.96 5.81 5.19 -1.05 -2.33 116.42 123.33 3hho h ASP 56 Ca 0.14 -0.06 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 3hho h ASP 56 Cb 0.24 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 39.76 3hho h ASP 56 CO -0.01 -0.13 0.61 0.00 -3.12 0.00 0.00 179.24 176.60 3hho h ALA 57 N 0.26 1.55 -0.08 3.45 0.00 -1.36 0.09 119.26 123.17 3hho h ALA 57 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3hho h ALA 57 Cb 0.34 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hho h ALA 57 CO 0.06 0.25 -0.85 -0.92 0.00 0.00 0.00 179.25 177.80 3hho h TYR 58 N 0.99 0.86 -0.72 0.00 3.20 -1.42 -0.75 116.97 119.13 3hho h TYR 58 Ca 0.45 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3hho h TYR 58 Cb 0.39 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3hho h TYR 58 CO -0.00 1.22 0.40 1.96 -1.64 0.00 0.00 178.16 180.11 3hho h GLN 59 N 0.39 0.99 0.38 1.82 1.08 -0.72 0.35 115.11 119.41 3hho h GLN 59 Ca -0.07 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 3hho h GLN 59 Cb 1.47 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3hho h GLN 59 CO 0.16 0.72 -0.18 1.15 -0.95 0.00 0.00 178.83 179.73 3hho h THR 60 N 1.00 0.48 0.00 -0.54 2.02 -0.79 -3.23 112.91 111.85 3hho h THR 60 Ca 0.26 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 3hho h THR 60 Cb 0.01 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3hho h THR 60 CO -0.04 0.09 -0.23 -0.07 0.37 0.00 0.00 175.52 175.64 3hho h LEU 61 N -0.93 0.00 -1.32 2.58 3.38 -0.99 -2.58 115.31 115.46 3hho h LEU 61 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3hho h LEU 61 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hho h LEU 61 CO 0.09 0.23 -0.28 0.50 0.09 0.00 0.00 178.44 179.06 3hho h LYS 62 N 0.00 0.00 -5.02 1.13 3.64 -0.36 -3.43 116.57 112.54 3hho h LYS 62 Ca -0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 3hho h LYS 62 Cb 0.73 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.25 3hho h LYS 62 CO 0.03 0.28 -0.77 0.34 -2.27 0.00 0.00 179.45 177.06 3hho s ASP 63 N -6.45 3.88 0.30 4.20 2.15 -1.06 -5.01 116.67 114.68 3hho s ASP 63 Ca -0.01 -0.48 0.01 0.00 0.43 0.00 0.00 52.55 52.49 3hho s ASP 63 Cb 0.12 -1.65 0.73 0.00 -0.30 0.00 0.00 42.92 41.83 3hho s ASP 63 CO 0.66 -0.01 1.57 -0.65 -0.17 0.00 0.00 175.17 176.57 3hho h PRO 64 N 8.05 0.01 -0.02 4.34 0.11 -1.82 0.59 132.00 143.26 3hho h PRO 64 Ca -0.43 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3hho h PRO 64 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hho h PRO 64 CO 0.62 0.01 -0.11 -0.07 -0.21 0.00 0.00 178.00 178.24 3hho h LEU 65 N 0.01 0.14 -0.97 2.35 3.38 -1.95 0.70 115.31 118.98 3hho h LEU 65 Ca 0.59 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3hho h LEU 65 Cb 1.19 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 3hho h LEU 65 CO -0.92 0.77 0.64 0.03 0.09 0.00 0.00 178.44 179.05 3hho h ARG 66 N -0.49 1.24 -0.35 1.13 3.08 -1.66 0.32 114.38 117.65 3hho h ARG 66 Ca -0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3hho h ARG 66 Cb 0.76 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3hho h ARG 66 CO 0.02 0.82 0.06 -0.09 -1.07 0.00 0.00 179.97 179.71 3hho h ARG 67 N 1.27 0.58 -0.03 0.04 2.43 0.56 0.50 114.38 119.73 3hho h ARG 67 Ca 0.37 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3hho h ARG 67 Cb -0.09 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3hho h ARG 67 CO -0.09 0.65 0.01 0.00 -1.51 0.00 0.00 179.97 179.03 3hho h ALA 68 N 0.90 0.04 -0.79 2.80 0.00 0.62 0.45 119.26 123.30 3hho h ALA 68 Ca 0.11 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hho h ALA 68 Cb 0.35 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3hho h ALA 68 CO 0.01 -0.35 0.45 1.49 0.00 0.00 0.00 179.25 180.85 3hho h GLU 69 N -0.15 0.75 -0.12 0.00 4.81 -0.26 -0.44 114.58 119.17 3hho h GLU 69 Ca 0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3hho h GLU 69 Cb 0.22 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3hho h GLU 69 CO -0.00 0.50 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.84 3hho h TYR 70 N 0.77 0.24 -0.93 0.92 3.20 0.30 -0.40 116.97 121.07 3hho h TYR 70 Ca 0.37 -0.05 0.24 0.00 3.14 0.00 0.00 58.73 62.44 3hho h TYR 70 Cb 0.32 -0.06 -0.13 0.00 1.54 0.00 0.00 36.73 38.40 3hho h TYR 70 CO -0.07 0.48 0.44 -0.07 -1.64 0.00 0.00 178.16 177.31 3hho h LEU 71 N -0.07 0.40 -0.88 2.82 3.38 0.57 0.52 115.31 122.05 3hho h LEU 71 Ca 0.03 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3hho h LEU 71 Cb 0.39 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3hho h LEU 71 CO 0.01 -0.00 -0.55 -0.07 0.09 0.00 0.00 178.44 177.92 3hho h LEU 72 N 0.42 0.03 -0.04 1.67 4.07 -0.82 -3.06 115.31 117.57 3hho h LEU 72 Ca 0.59 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.56 3hho h LEU 72 Cb 1.16 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.87 3hho h LEU 72 CO -0.53 0.57 -0.06 0.77 -1.08 0.00 0.00 178.44 178.11 3hho h SER 73 N 0.02 -0.18 -0.11 -0.43 4.64 0.17 -1.26 113.55 116.39 3hho h SER 73 Ca -0.00 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3hho h SER 73 Cb 0.98 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hho h SER 73 CO 0.07 -0.09 0.33 -0.07 -0.87 0.00 0.00 176.83 176.21 3hho h LEU 74 N -0.09 0.00 -1.32 5.97 3.38 -0.95 0.12 115.31 122.43 3hho h LEU 74 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hho h LEU 74 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hho h LEU 74 CO -0.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.44 3hho n GLN 75 N -3.16 1.87 -2.45 1.13 1.13 -0.52 -4.91 117.38 110.47 3hho n GLN 75 Ca 0.00 -1.30 -0.04 0.00 -1.94 0.00 0.00 57.00 53.72 3hho n GLN 75 Cb 0.42 -1.42 0.01 0.00 0.11 0.00 0.00 30.24 29.36 3hho n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hho n GLY 76 N 1.20 0.51 3.01 1.08 0.00 0.03 -5.04 105.19 105.97 3hho n GLY 76 Ca 0.17 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3hho n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hho s ILE 77 N -2.72 1.52 0.45 -0.61 1.01 -0.95 -5.05 121.20 114.85 3hho s ILE 77 Ca 0.06 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3hho s ILE 77 Cb -0.03 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3hho s ILE 77 CO 0.08 0.45 0.17 -1.61 0.00 0.00 0.00 174.94 174.03 3hho s GLU 78 N 1.49 2.20 0.00 2.79 0.41 -1.26 -3.97 118.70 120.36 3hho s GLU 78 Ca 0.05 -1.98 0.00 0.00 -0.41 0.00 0.00 54.97 52.63 3hho s GLU 78 Cb -0.13 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 3hho s GLU 78 CO -0.10 -0.22 0.00 0.09 -0.49 0.00 0.00 175.26 174.54 3hho n ASN 80 N -1.29 0.00 0.00 -0.19 5.03 -1.26 -5.17 115.26 112.38 3hho n ASN 80 Ca -0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.41 3hho n ASN 80 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.41 3hho n ASN 80 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3hho n ASP 88 N -0.60 0.00 -0.31 6.41 2.03 -1.26 -5.20 116.55 117.62 3hho n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3hho n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3hho n ASP 88 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hho n PRO 89 N 0.00 0.00 0.00 -0.67 -0.02 -1.26 -1.63 135.00 131.42 3hho n PRO 89 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hho n PRO 89 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3hho n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hho n PHE 91 N 0.08 0.00 0.00 6.00 7.35 -1.26 -4.77 117.46 124.86 3hho n PHE 91 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3hho n PHE 91 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3hho n PHE 91 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hho n LEU 92 N 0.00 0.00 0.00 -2.13 4.77 -0.64 -1.62 117.00 117.37 3hho n LEU 92 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hho n LEU 92 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hho n LEU 92 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3hho n GLU 94 N 0.70 0.00 -0.01 3.23 1.02 -1.26 -4.65 120.64 119.67 3hho n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hho n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3hho n GLU 94 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hho n GLN 95 N 0.00 0.25 0.00 3.49 1.13 -0.64 -0.68 117.38 120.93 3hho n GLN 95 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hho n GLN 95 Cb 0.00 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 28.98 3hho n GLN 95 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hho n GLU 97 N 0.94 0.00 0.11 -1.09 1.02 -1.26 -0.96 120.64 119.40 3hho n GLU 97 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3hho n GLU 97 Cb 0.13 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.47 3hho n GLU 97 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hho h LEU 98 N 0.00 -0.22 -1.22 -4.62 3.38 -1.31 0.23 115.31 111.56 3hho h LEU 98 Ca 0.00 -0.13 0.36 0.00 0.09 0.00 0.00 57.88 58.19 3hho h LEU 98 Cb 0.00 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 3hho h LEU 98 CO 0.00 0.01 0.69 -0.09 0.09 0.00 0.00 178.44 179.14 3hho h ARG 99 N -0.44 0.23 -0.08 1.13 9.65 -1.30 0.36 114.38 123.93 3hho h ARG 99 Ca -0.03 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.71 3hho h ARG 99 Cb 0.34 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3hho h ARG 99 CO 0.04 0.15 -0.46 0.93 2.80 0.00 0.00 179.97 183.43 3hho h GLU 100 N 0.24 0.45 0.45 0.20 5.08 -1.44 -2.68 114.58 116.88 3hho h GLU 100 Ca 0.74 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 3hho h GLU 100 Cb 2.00 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 31.30 3hho h GLU 100 CO -0.48 1.02 -0.51 1.49 -1.00 0.00 0.00 179.01 179.53 3hho h GLU 101 N -0.00 -0.94 -0.74 2.33 4.81 0.21 -2.68 114.58 117.56 3hho h GLU 101 Ca -0.04 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 3hho h GLU 101 Cb 1.12 0.21 -0.14 0.00 0.63 0.00 0.00 28.75 30.58 3hho h GLU 101 CO 0.09 -0.63 -0.27 1.25 -0.73 0.00 0.00 179.01 178.73 3hho h LEU 102 N -0.97 -0.97 -2.26 1.64 5.85 -0.45 0.35 115.31 118.49 3hho h LEU 102 Ca -0.05 0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3hho h LEU 102 Cb 0.86 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3hho h LEU 102 CO -0.09 -0.28 0.19 -0.33 -0.34 0.00 0.00 178.44 177.59 3hho h GLU 103 N -0.06 0.00 -0.06 1.25 5.08 -1.14 0.18 114.58 119.83 3hho h GLU 103 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3hho h GLU 103 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hho h GLU 103 CO -0.79 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 177.65 3hho n SER 104 N -3.74 1.89 -0.13 1.42 7.64 0.12 -4.00 113.62 116.82 3hho n SER 104 Ca 0.01 -1.65 -0.06 0.00 1.01 0.00 0.00 58.87 58.18 3hho n SER 104 Cb 0.30 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.49 3hho n SER 104 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3hho h VAL 105 N 2.84 0.99 0.00 0.44 -1.51 -0.46 -3.16 116.25 115.40 3hho h VAL 105 Ca 0.00 -0.15 -0.43 0.00 -1.23 0.00 0.00 66.70 64.89 3hho h VAL 105 Cb 0.61 0.52 0.05 0.00 -2.13 0.00 0.00 31.29 30.34 3hho h VAL 105 CO 0.00 0.08 1.99 0.35 -1.23 0.00 0.00 177.57 178.76 3hho n THR 106 N -4.91 1.35 0.00 7.19 -2.24 -1.26 -1.35 114.28 113.07 3hho n THR 106 Ca 0.02 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3hho n THR 106 Cb 0.09 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 3hho n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hho n ALA 107 N 6.26 0.00 -0.76 6.98 0.00 -1.22 -5.14 120.51 126.63 3hho n ALA 107 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 3hho n ALA 107 Cb 0.25 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.83 3hho n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hho h ALA 109 N -1.77 -0.77 -2.57 0.00 0.00 -1.95 -3.34 119.26 108.86 3hho h ALA 109 Ca -0.49 -0.20 -0.74 0.00 0.00 0.00 0.00 54.91 53.48 3hho h ALA 109 Cb 1.34 0.30 -0.33 0.00 0.00 0.00 0.00 17.79 19.10 3hho h ALA 109 CO 0.35 -0.84 0.15 -3.47 0.00 0.00 0.00 179.25 175.44 3hho n ASP 110 N -5.35 4.87 -0.35 0.00 -0.08 -1.26 -4.93 116.55 109.45 3hho n ASP 110 Ca -0.12 -3.18 0.16 0.00 -1.51 0.00 0.00 54.79 50.14 3hho n ASP 110 Cb 0.34 -1.14 0.36 0.00 2.34 0.00 0.00 41.12 43.01 3hho n ASP 110 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hho h PRO 111 N 5.93 0.63 0.00 -0.67 0.11 -1.79 0.99 132.00 137.20 3hho h PRO 111 Ca 0.18 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.06 3hho h PRO 111 Cb 0.78 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 3hho h PRO 111 CO 0.97 0.42 -0.94 1.05 -0.21 0.00 0.00 178.00 179.29 3hho h GLU 112 N 0.65 0.00 -0.01 1.05 9.09 -1.91 0.38 114.58 123.83 3hho h GLU 112 Ca 0.62 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.82 3hho h GLU 112 Cb 1.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.19 3hho h GLU 112 CO -0.44 0.86 -0.87 0.00 0.05 0.00 0.00 179.01 178.60 3hho h ALA 113 N 1.11 0.48 -0.08 1.06 0.00 -1.07 -0.99 119.26 119.77 3hho h ALA 113 Ca -0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 3hho h ALA 113 Cb 1.70 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 3hho h ALA 113 CO 0.11 0.85 -0.05 0.00 0.00 0.00 0.00 179.25 180.17 3hho h ALA 114 N 0.89 0.12 -0.61 0.00 0.00 0.90 -0.93 119.26 119.62 3hho h ALA 114 Ca -0.05 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hho h ALA 114 Cb 1.49 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 3hho h ALA 114 CO 0.14 -0.12 0.36 1.25 0.00 0.00 0.00 179.25 180.88 3hho h LEU 115 N -0.20 0.56 -1.76 0.00 5.85 -0.96 0.20 115.31 119.00 3hho h LEU 115 Ca 0.02 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hho h LEU 115 Cb 0.50 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3hho h LEU 115 CO 0.01 0.39 0.19 0.58 -0.34 0.00 0.00 178.44 179.27 3hho h VAL 116 N 0.69 1.04 0.01 1.05 2.07 -1.14 -0.18 116.25 119.79 3hho h VAL 116 Ca 0.25 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.46 3hho h VAL 116 Cb 0.07 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3hho h VAL 116 CO -0.12 0.06 -0.93 0.00 0.02 0.00 0.00 177.57 176.59 3hho h ALA 117 N 1.83 0.47 0.14 1.67 0.00 0.43 -2.56 119.26 121.24 3hho h ALA 117 Ca 0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 3hho h ALA 117 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hho h ALA 117 CO -0.02 1.08 -0.07 0.35 0.00 0.00 0.00 179.25 180.59 3hho h PHE 118 N 0.03 -0.17 -0.88 0.00 3.57 0.22 -3.00 116.94 116.70 3hho h PHE 118 Ca -0.03 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3hho h PHE 118 Cb 1.62 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 40.35 3hho h PHE 118 CO 0.01 0.29 0.54 0.22 -2.23 0.00 0.00 178.31 177.14 3hho h ASP 119 N -0.83 0.84 -0.12 0.41 3.58 -1.15 0.11 116.42 119.25 3hho h ASP 119 Ca -0.02 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.50 3hho h ASP 119 Cb 0.54 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 3hho h ASP 119 CO 0.03 0.51 -0.26 0.74 -2.88 0.00 0.00 179.24 177.39 3hho h THR 120 N 0.96 0.39 -0.14 2.25 2.02 -1.53 0.87 112.91 117.72 3hho h THR 120 Ca 0.40 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.39 3hho h THR 120 Cb 0.24 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3hho h THR 120 CO -0.20 0.00 -0.69 0.07 0.37 0.00 0.00 175.52 175.07 3hho h LYS 121 N -0.33 0.58 -0.53 6.66 2.10 -1.13 -2.59 116.57 121.34 3hho h LYS 121 Ca 0.10 -0.44 -0.03 0.00 -2.00 0.00 0.00 60.65 58.28 3hho h LYS 121 Cb 0.48 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 3hho h LYS 121 CO -0.31 1.06 0.23 0.28 -2.00 0.00 0.00 179.45 178.71 3hho h VAL 122 N 0.41 1.21 -0.03 0.07 2.07 -0.82 -2.50 116.25 116.66 3hho h VAL 122 Ca -0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3hho h VAL 122 Cb 1.27 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3hho h VAL 122 CO 0.13 0.24 -0.05 0.74 0.02 0.00 0.00 177.57 178.65 3hho h THR 123 N 0.71 1.06 0.00 2.57 2.02 -0.68 -1.01 112.91 117.58 3hho h THR 123 Ca 0.18 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3hho h THR 123 Cb 0.17 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3hho h THR 123 CO -0.02 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3hho n ALA 124 N -2.52 1.75 0.00 6.16 0.00 -0.94 -1.35 120.51 123.60 3hho n ALA 124 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hho n ALA 124 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3hho n ALA 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hho n GLN 126 N 0.42 0.00 -0.17 0.00 7.27 -0.38 -0.63 117.38 123.89 3hho n GLN 126 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3hho n GLN 126 Cb 0.14 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.87 3hho n GLN 126 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3hho h ARG 127 N 0.00 0.17 -0.62 3.69 2.43 -1.48 0.26 114.38 118.82 3hho h ARG 127 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3hho h ARG 127 Cb 0.00 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3hho h ARG 127 CO 0.00 0.11 0.24 0.45 -1.51 0.00 0.00 179.97 179.26 3hho h HIS 128 N 0.17 0.92 -0.14 2.20 3.86 -1.14 0.46 115.15 121.48 3hho h HIS 128 Ca 0.26 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.28 3hho h HIS 128 Cb 0.39 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3hho h HIS 128 CO -0.28 0.72 -0.45 1.88 0.86 0.00 0.00 177.93 180.66 3hho h TYR 129 N 0.90 0.73 -0.57 2.45 0.05 -1.65 -1.75 116.97 117.12 3hho h TYR 129 Ca 0.21 -0.29 0.06 0.00 0.05 0.00 0.00 58.73 58.75 3hho h TYR 129 Cb 0.19 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.75 3hho h TYR 129 CO 0.01 1.06 0.29 -0.07 -1.05 0.00 0.00 178.16 178.40 3hho h LEU 130 N 0.19 0.40 0.11 3.88 3.38 -0.73 0.23 115.31 122.78 3hho h LEU 130 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hho h LEU 130 Cb 1.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3hho h LEU 130 CO 0.10 0.27 -0.12 0.00 0.09 0.00 0.00 178.44 178.78 3hho h ALA 131 N 1.32 -0.22 -0.93 1.53 0.00 -0.91 0.85 119.26 120.91 3hho h ALA 131 Ca 0.26 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3hho h ALA 131 Cb 0.19 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3hho h ALA 131 CO -0.19 -0.64 0.54 1.96 0.00 0.00 0.00 179.25 180.92 3hho h GLN 132 N -0.25 0.80 -0.54 0.00 4.20 -1.01 -2.11 115.11 116.20 3hho h GLN 132 Ca 0.01 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3hho h GLN 132 Cb 0.25 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3hho h GLN 132 CO -0.04 0.53 0.01 1.25 -0.67 0.00 0.00 178.83 179.91 3hho h LEU 133 N 0.82 0.88 -0.06 1.46 5.85 0.48 -2.42 115.31 122.32 3hho h LEU 133 Ca 0.48 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3hho h LEU 133 Cb 0.56 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hho h LEU 133 CO -0.30 0.93 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.10 3hho h GLN 134 N 0.84 0.12 -1.00 1.25 4.15 -0.21 -1.88 115.11 118.39 3hho h GLN 134 Ca 0.16 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.57 3hho h GLN 134 Cb 0.48 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 3hho h GLN 134 CO 0.02 0.47 0.65 0.78 -1.93 0.00 0.00 178.83 178.83 3hho h GLY 135 N -0.24 1.46 0.56 2.39 0.00 -1.40 -2.41 103.07 103.43 3hho h GLY 135 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3hho h GLY 135 CO 0.01 0.43 -0.07 1.46 0.00 0.00 0.00 176.54 178.37 3hho h GLN 136 N 1.27 0.13 -0.73 4.80 4.20 -1.31 -2.15 115.11 121.31 3hho h GLN 136 Ca 0.40 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 59.17 3hho h GLN 136 Cb -0.01 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3hho h GLN 136 CO -0.12 0.62 0.49 -0.07 -0.67 0.00 0.00 178.83 179.08 3hho h LEU 137 N -0.35 0.39 0.74 1.46 3.38 -1.37 -1.69 115.31 117.87 3hho h LEU 137 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hho h LEU 137 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hho h LEU 137 CO 0.02 0.21 -0.50 0.00 0.09 0.00 0.00 178.44 178.26 3hho h ALA 138 N 1.65 -1.24 -0.08 1.53 0.00 -0.93 -2.50 119.26 117.68 3hho h ALA 138 Ca 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hho h ALA 138 Cb 0.80 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3hho h ALA 138 CO -0.11 -1.22 0.04 0.94 0.00 0.00 0.00 179.25 178.90 3hho n GLN 139 N -5.62 1.22 -3.43 0.00 7.27 -0.85 -4.84 117.38 111.14 3hho n GLN 139 Ca -0.14 -0.31 -0.25 0.00 0.07 0.00 0.00 57.00 56.37 3hho n GLN 139 Cb 0.50 -1.29 0.04 0.00 2.41 0.00 0.00 30.24 31.90 3hho n GLN 139 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3hho n SER 140 N 0.24 -5.42 -4.11 1.69 7.64 -0.94 -4.90 113.62 107.81 3hho n SER 140 Ca 0.05 -0.48 -0.41 0.00 1.01 0.00 0.00 58.87 59.04 3hho n SER 140 Cb 0.52 -4.35 -0.02 0.00 -1.01 0.00 0.00 64.21 59.35 3hho n SER 140 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hho n GLU 141 N -4.35 3.60 0.18 1.43 1.02 -0.67 -4.95 120.64 116.91 3hho n GLU 141 Ca -0.03 -4.51 -0.14 0.00 -0.02 0.00 0.00 57.16 52.45 3hho n GLU 141 Cb 0.57 -2.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.43 3hho n GLU 141 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hho h TRP 142 N 5.92 -0.61 -0.25 -0.32 -0.00 -1.91 -2.60 115.95 116.19 3hho h TRP 142 Ca 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.02 3hho h TRP 142 Cb 0.76 0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 3hho h TRP 142 CO 0.83 -0.34 -0.08 -0.07 -0.00 0.00 0.00 178.44 178.78 3hho h LEU 143 N -0.52 0.38 -0.48 -4.49 3.38 -1.98 0.42 115.31 112.02 3hho h LEU 143 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hho h LEU 143 Cb 0.46 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3hho h LEU 143 CO -0.03 0.50 0.22 0.00 0.09 0.00 0.00 178.44 179.23 3hho h ALA 144 N 1.55 0.62 -0.23 1.53 0.00 -1.95 -1.81 119.26 118.97 3hho h ALA 144 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hho h ALA 144 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hho h ALA 144 CO 0.02 0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.60 3hho h ALA 145 N 1.07 0.30 -0.38 0.00 0.00 -0.63 -1.73 119.26 117.88 3hho h ALA 145 Ca 0.16 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3hho h ALA 145 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hho h ALA 145 CO -0.02 -0.17 0.27 0.00 0.00 0.00 0.00 179.25 179.33 3hho h ALA 146 N 1.02 2.33 -0.08 0.00 0.00 0.00 0.20 119.26 122.73 3hho h ALA 146 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hho h ALA 146 Cb 0.06 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hho h ALA 146 CO -0.01 -0.44 -0.44 0.22 0.00 0.00 0.00 179.25 178.58 3hho h ASP 147 N 0.02 0.53 -0.91 0.00 3.58 -0.50 -2.32 116.42 116.82 3hho h ASP 147 Ca 0.18 -0.65 0.04 0.00 0.42 0.00 0.00 57.03 57.02 3hho h ASP 147 Cb 0.69 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 3hho h ASP 147 CO -0.01 1.09 0.59 1.56 -2.88 0.00 0.00 179.24 179.59 3hho h GLN 148 N 0.00 1.08 -0.03 0.28 7.50 -0.46 -0.59 115.11 122.88 3hho h GLN 148 Ca -0.03 -0.06 0.02 0.00 0.50 0.00 0.00 58.65 59.07 3hho h GLN 148 Cb 1.09 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 28.36 3hho h GLN 148 CO 0.09 0.71 -0.06 0.82 -1.50 0.00 0.00 178.83 178.90 3hho h ILE 149 N 1.11 0.84 -0.52 2.54 2.04 -0.63 -1.19 117.51 121.71 3hho h ILE 149 Ca 0.37 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.18 3hho h ILE 149 Cb 0.06 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3hho h ILE 149 CO -0.14 0.00 0.12 0.03 0.00 0.00 0.00 178.15 178.16 3hho h ARG 150 N -0.08 0.84 -0.77 2.37 3.08 -1.10 -1.82 114.38 116.89 3hho h ARG 150 Ca 0.04 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 59.95 3hho h ARG 150 Cb 0.13 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 3hho h ARG 150 CO -0.09 0.81 0.45 0.87 -1.07 0.00 0.00 179.97 180.94 3hho h LYS 151 N 0.73 0.77 0.00 0.04 1.57 -1.05 -2.13 116.57 116.50 3hho h LYS 151 Ca 0.16 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hho h LYS 151 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hho h LYS 151 CO 0.00 0.51 0.00 -0.07 -0.57 0.00 0.00 179.45 179.33 3hho h LEU 152 N 0.80 0.00 -0.52 2.94 3.38 -0.66 -1.85 115.31 119.40 3hho h LEU 152 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 3hho h LEU 152 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hho h LEU 152 CO -0.20 0.00 0.12 0.11 0.09 0.00 0.00 178.44 178.55 3hho h LYS 153 N 0.00 0.84 -0.11 1.13 1.57 -0.66 0.20 116.57 119.55 3hho h LYS 153 Ca 0.00 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3hho h LYS 153 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3hho h LYS 153 CO 0.00 0.81 0.03 0.74 -0.57 0.00 0.00 179.45 180.45 3hho h PHE 154 N 0.72 0.05 -0.87 -1.35 0.04 -1.24 -2.30 116.94 112.00 3hho h PHE 154 Ca 0.16 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.00 3hho h PHE 154 Cb 0.35 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.44 3hho h PHE 154 CO 0.02 0.02 0.57 0.82 -0.60 0.00 0.00 178.31 179.14 3hho h ILE 155 N 0.08 1.07 0.38 -0.55 1.08 -1.30 -2.12 117.51 116.14 3hho h ILE 155 Ca 0.05 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 3hho h ILE 155 Cb 0.03 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.78 3hho h ILE 155 CO -0.06 0.18 -0.18 0.00 -0.69 0.00 0.00 178.15 177.40 3hho h ALA 156 N 1.52 -0.51 -0.99 1.87 0.00 -0.65 -0.94 119.26 119.56 3hho h ALA 156 Ca 0.37 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3hho h ALA 156 Cb 0.18 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3hho h ALA 156 CO -0.13 -0.78 0.63 0.87 0.00 0.00 0.00 179.25 179.83 3hho h LYS 157 N -0.52 1.05 -0.06 0.00 1.57 -1.10 -0.78 116.57 116.72 3hho h LYS 157 Ca -0.05 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3hho h LYS 157 Cb 0.40 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hho h LYS 157 CO 0.09 0.69 -0.29 1.25 -0.57 0.00 0.00 179.45 180.62 3hho h LEU 158 N 1.08 0.11 -0.26 2.94 5.85 -1.11 -2.30 115.31 121.62 3hho h LEU 158 Ca 0.45 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 3hho h LEU 158 Cb 0.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3hho h LEU 158 CO -0.21 0.41 -0.09 0.50 -0.34 0.00 0.00 178.44 178.71 3hho h LYS 159 N 0.10 0.52 -0.35 1.25 1.63 0.21 -2.39 116.57 117.54 3hho h LYS 159 Ca 0.01 -0.21 0.10 0.00 -0.85 0.00 0.00 60.65 59.71 3hho h LYS 159 Cb 0.58 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3hho h LYS 159 CO 0.04 0.75 0.26 -0.97 -3.45 0.00 0.00 179.45 176.09 3hho h ASN 160 N 0.26 0.00 0.94 4.20 -0.73 -0.90 -1.96 115.58 117.39 3hho h ASN 160 Ca 0.06 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.02 3hho h ASN 160 Cb 0.57 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 3hho h ASN 160 CO 0.03 0.00 -1.09 -0.33 -0.37 0.00 0.00 177.43 175.67 3hho h GLU 161 N 0.00 0.00 0.08 6.67 4.39 -1.13 0.58 114.58 125.18 3hho h GLU 161 Ca 0.17 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.62 3hho h GLU 161 Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3hho h GLU 161 CO -0.00 0.86 -1.13 -0.24 -1.16 0.00 0.00 179.01 177.34 3hho h VAL 162 N 0.00 1.52 0.14 3.13 3.04 -1.03 0.15 116.25 123.20 3hho h VAL 162 Ca -0.06 -3.01 -0.01 0.00 -1.01 0.00 0.00 66.70 62.61 3hho h VAL 162 Cb 1.78 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.89 3hho h VAL 162 CO 0.11 0.88 -0.07 -0.33 -1.01 0.00 0.00 177.57 177.15 3hho h GLU 163 N 0.08 -0.18 -0.92 4.17 4.39 -1.43 0.42 114.58 121.11 3hho h GLU 163 Ca -0.10 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.84 3hho h GLU 163 Cb 1.85 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 30.41 3hho h GLU 163 CO 0.18 0.04 0.43 -0.09 -1.16 0.00 0.00 179.01 178.41 3hho h ARG 164 N -0.37 0.42 -0.07 2.33 2.43 -0.88 0.96 114.38 119.20 3hho h ARG 164 Ca -0.02 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 3hho h ARG 164 Cb 0.30 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hho h ARG 164 CO 0.03 0.27 -0.62 0.28 -1.51 0.00 0.00 179.97 178.42 3hho h VAL 165 N 0.43 1.39 -0.61 0.20 2.07 -0.35 -3.21 116.25 116.18 3hho h VAL 165 Ca 0.58 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3hho h VAL 165 Cb 1.11 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 3hho h VAL 165 CO -0.52 0.60 0.31 -0.08 0.02 0.00 0.00 177.57 177.90 3hho h GLU 166 N 0.18 0.85 0.00 1.57 4.81 0.23 -2.12 114.58 120.10 3hho h GLU 166 Ca -0.01 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3hho h GLU 166 Cb 1.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3hho h GLU 166 CO 0.10 0.64 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.29 3hho h ASP 167 N 0.85 0.00 -0.20 1.04 5.19 -1.30 -2.71 116.42 119.29 3hho h ASP 167 Ca 0.22 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 3hho h ASP 167 Cb 0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3hho h ASP 167 CO -0.03 0.29 0.02 1.56 -3.12 0.00 0.00 179.24 177.96 3hho h GLN 168 N 0.00 0.35 0.64 3.56 4.20 -1.43 -3.21 115.11 119.22 3hho h GLN 168 Ca -0.00 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3hho h GLN 168 Cb 0.67 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.42 3hho h GLN 168 CO 0.04 0.52 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.34 3hho h LEU 169 N 0.13 -0.73 0.00 1.46 -0.00 -1.53 -3.53 115.31 111.11 3hho h LEU 169 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 3hho h LEU 169 Cb 0.35 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3hho h LEU 169 CO 0.01 -0.51 0.00 0.18 -0.00 0.00 0.00 178.44 178.11