#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhg s PRO 10 N 0.00 3.66 0.50 1.96 0.04 -1.26 -4.85 135.00 135.05 1rhg s PRO 10 Ca 0.00 1.85 0.46 0.00 0.04 0.00 0.00 61.00 63.34 1rhg s PRO 10 Cb 0.00 -4.14 1.57 0.00 0.04 0.00 0.00 34.50 31.97 1rhg s PRO 10 CO 0.00 -1.47 1.42 0.94 0.04 0.00 0.00 177.00 177.93 1rhg n GLN 11 N 7.96 -0.00 -0.01 4.56 -0.06 -1.26 -0.00 117.38 128.57 1rhg n GLN 11 Ca 0.22 0.99 -0.13 0.00 -2.00 0.00 0.00 57.00 56.08 1rhg n GLN 11 Cb 0.45 -2.28 -0.10 0.00 -4.06 0.00 0.00 30.24 24.25 1rhg n GLN 11 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1rhg h SER 12 N 0.00 -0.00 -0.54 1.69 0.87 -2.00 -2.57 113.55 110.99 1rhg h SER 12 Ca 0.86 -0.44 0.08 0.00 -1.23 0.00 0.00 61.79 61.06 1rhg h SER 12 Cb 3.42 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 65.32 1rhg h SER 12 CO -0.02 0.44 0.18 0.15 -0.53 0.00 0.00 176.83 177.04 1rhg h PHE 13 N -0.44 0.31 0.00 2.24 3.57 -0.81 -0.60 116.94 121.21 1rhg h PHE 13 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1rhg h PHE 13 Cb 0.44 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1rhg h PHE 13 CO 0.08 0.08 -0.03 1.25 -2.23 0.00 0.00 178.31 177.46 1rhg h LEU 14 N 0.35 0.00 0.00 0.59 5.85 -1.37 -0.44 115.31 120.29 1rhg h LEU 14 Ca 0.27 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1rhg h LEU 14 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1rhg h LEU 14 CO -0.29 0.03 -0.81 -0.07 -0.34 0.00 0.00 178.44 176.96 1rhg h LEU 15 N 0.00 0.00 -0.30 2.25 3.38 -0.71 -2.51 115.31 117.42 1rhg h LEU 15 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1rhg h LEU 15 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rhg h LEU 15 CO 0.00 0.28 -0.58 0.50 0.09 0.00 0.00 178.44 178.74 1rhg h LYS 16 N 0.00 0.85 0.08 1.13 1.63 -0.50 -2.85 116.57 116.91 1rhg h LYS 16 Ca -0.05 -0.56 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 1rhg h LYS 16 Cb 1.26 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 1rhg h LYS 16 CO 0.03 1.19 -0.07 0.00 -3.45 0.00 0.00 179.45 177.15 1rhg h LEU 18 N -0.16 0.35 -1.88 0.00 5.85 -1.40 0.18 115.31 118.26 1rhg h LEU 18 Ca -0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1rhg h LEU 18 Cb 0.14 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1rhg h LEU 18 CO -0.01 0.19 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.20 1rhg h GLU 19 N 0.51 0.06 0.10 1.25 4.81 -1.48 0.58 114.58 120.41 1rhg h GLU 19 Ca 0.35 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1rhg h GLU 19 Cb 0.42 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.80 1rhg h GLU 19 CO -0.31 0.08 -0.64 1.96 -0.73 0.00 0.00 179.01 179.37 1rhg h GLN 20 N 0.07 0.26 0.05 1.92 4.20 -0.40 -1.80 115.11 119.41 1rhg h GLN 20 Ca 0.02 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.34 1rhg h GLN 20 Cb 0.06 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1rhg h GLN 20 CO 0.00 1.17 -0.29 0.28 -0.67 0.00 0.00 178.83 179.32 1rhg h VAL 21 N -0.43 0.36 0.00 -0.54 2.07 -0.62 -1.15 116.25 115.94 1rhg h VAL 21 Ca -0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1rhg h VAL 21 Cb 1.47 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1rhg h VAL 21 CO 0.12 0.00 -0.12 0.03 0.02 0.00 0.00 177.57 177.62 1rhg h ARG 22 N -0.46 0.00 -0.11 1.57 2.47 -0.91 -1.63 114.38 115.31 1rhg h ARG 22 Ca 0.05 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1rhg h ARG 22 Cb 0.53 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1rhg h ARG 22 CO -0.22 0.12 -0.09 -0.22 0.56 0.00 0.00 179.97 180.11 1rhg h LYS 23 N 0.00 0.25 -0.22 0.04 3.64 -0.50 -0.07 116.57 119.72 1rhg h LYS 23 Ca -0.00 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1rhg h LYS 23 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1rhg h LYS 23 CO 0.02 0.65 -0.07 0.82 -2.27 0.00 0.00 179.45 178.60 1rhg h ILE 24 N -0.14 1.29 -0.92 2.00 2.04 -0.84 -1.94 117.51 119.00 1rhg h ILE 24 Ca 0.02 -1.08 0.09 0.00 1.00 0.00 0.00 64.86 64.89 1rhg h ILE 24 Cb 0.60 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 1rhg h ILE 24 CO 0.02 0.33 0.57 1.56 0.00 0.00 0.00 178.15 180.63 1rhg h GLN 25 N 0.15 0.94 -0.64 2.37 4.20 -1.27 0.97 115.11 121.83 1rhg h GLN 25 Ca 0.05 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1rhg h GLN 25 Cb 0.53 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1rhg h GLN 25 CO 0.02 0.62 0.13 0.78 -0.67 0.00 0.00 178.83 179.72 1rhg h GLY 26 N 0.97 1.10 1.07 3.46 0.00 -0.62 0.37 103.07 109.41 1rhg h GLY 26 Ca 0.43 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1rhg h GLY 26 CO -0.23 0.64 0.12 -0.55 0.00 0.00 0.00 176.54 176.53 1rhg h ASP 27 N 0.97 1.08 0.23 0.19 3.32 -0.52 0.22 116.42 121.90 1rhg h ASP 27 Ca 0.20 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1rhg h ASP 27 Cb 0.38 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1rhg h ASP 27 CO 0.01 1.06 -0.51 1.23 -1.72 0.00 0.00 179.24 179.30 1rhg h GLY 28 N 1.05 -1.20 0.27 2.75 0.00 -0.02 -1.12 103.07 104.80 1rhg h GLY 28 Ca 0.21 0.63 0.14 0.00 0.00 0.00 0.00 47.33 48.31 1rhg h GLY 28 CO 0.01 -0.30 0.45 0.00 0.00 0.00 0.00 176.54 176.70 1rhg h ALA 29 N -0.68 1.27 -0.47 3.60 0.00 -0.85 0.62 119.26 122.75 1rhg h ALA 29 Ca -0.02 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1rhg h ALA 29 Cb 0.78 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1rhg h ALA 29 CO -0.22 -0.06 0.14 0.00 0.00 0.00 0.00 179.25 179.11 1rhg h ALA 30 N 1.55 0.55 0.11 0.00 0.00 -0.06 -2.17 119.26 119.23 1rhg h ALA 30 Ca 0.46 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1rhg h ALA 30 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rhg h ALA 30 CO -0.35 -0.26 -0.05 1.25 0.00 0.00 0.00 179.25 179.84 1rhg h LEU 31 N 0.30 -0.12 -0.69 0.00 5.85 0.34 -2.57 115.31 118.42 1rhg h LEU 31 Ca 0.23 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1rhg h LEU 31 Cb 0.26 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.19 1rhg h LEU 31 CO -0.26 0.22 -0.19 1.56 -0.34 0.00 0.00 178.44 179.43 1rhg h GLN 32 N -0.48 -0.02 0.00 1.25 4.20 -1.18 0.13 115.11 119.01 1rhg h GLN 32 Ca -0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1rhg h GLN 32 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1rhg h GLN 32 CO 0.02 -0.01 -0.39 1.05 -0.67 0.00 0.00 178.83 178.84 1rhg h GLU 33 N -0.02 0.00 -0.02 1.46 -0.00 -1.33 0.24 114.58 114.91 1rhg h GLU 33 Ca 0.33 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.49 1rhg h GLU 33 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 1rhg h GLU 33 CO -0.72 0.39 -0.83 0.87 -0.00 0.00 0.00 179.01 178.72 1rhg h LYS 34 N 0.00 0.31 -0.12 1.06 1.57 -0.73 -0.79 116.57 117.87 1rhg h LYS 34 Ca -0.00 -0.30 -0.23 0.00 -1.87 0.00 0.00 60.65 58.25 1rhg h LYS 34 Cb 0.97 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1rhg h LYS 34 CO 0.05 0.98 -0.84 -0.07 -0.57 0.00 0.00 179.45 179.00 1rhg h LEU 35 N 0.19 0.95 -1.16 2.94 3.38 0.37 0.35 115.31 122.32 1rhg h LEU 35 Ca -0.05 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.22 1rhg h LEU 35 Cb 1.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1rhg h LEU 35 CO 0.14 1.45 0.02 0.00 0.09 0.00 0.00 178.44 180.13 1rhg n ALA 37 N -2.47 3.85 -0.04 0.00 0.00 -0.30 -1.65 120.51 119.88 1rhg n ALA 37 Ca 0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 1rhg n ALA 37 Cb 0.25 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 1rhg n ALA 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rhg n THR 38 N -1.73 1.68 -1.99 0.00 -1.04 0.12 -4.60 114.28 106.72 1rhg n THR 38 Ca 0.03 -0.63 0.05 0.00 -2.04 0.00 0.00 64.05 61.46 1rhg n THR 38 Cb 0.39 -1.61 0.13 0.00 -1.82 0.00 0.00 70.33 67.41 1rhg n THR 38 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1rhg n TYR 39 N -3.40 0.00 -1.87 -1.42 4.01 -0.17 -4.99 117.16 109.31 1rhg n TYR 39 Ca -0.37 -1.07 -0.08 0.00 -0.16 0.00 0.00 57.90 56.22 1rhg n TYR 39 Cb 1.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.83 1rhg n TYR 39 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1rhg n LYS 40 N -0.43 -1.86 -3.28 -0.72 5.02 -0.66 -4.81 118.16 111.42 1rhg n LYS 40 Ca 0.13 0.43 -0.46 0.00 -2.02 0.00 0.00 58.31 56.39 1rhg n LYS 40 Cb 0.89 -4.80 -0.03 0.00 -0.02 0.00 0.00 35.03 31.07 1rhg n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rhg s LEU 41 N -4.28 6.30 0.00 -0.35 1.43 -1.21 -4.81 118.68 115.77 1rhg s LEU 41 Ca 0.00 -2.17 0.03 0.00 -1.03 0.00 0.00 54.13 50.96 1rhg s LEU 41 Cb 0.00 -2.23 0.06 0.00 0.03 0.00 0.00 46.19 44.05 1rhg s LEU 41 CO 0.00 -0.77 0.93 0.00 0.23 0.00 0.00 176.35 176.74 1rhg s HIS 43 N -0.77 0.07 0.30 0.00 3.76 -1.26 -5.00 115.29 112.39 1rhg s HIS 43 Ca 0.05 -0.19 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 1rhg s HIS 43 Cb 0.03 -0.61 0.82 0.00 1.11 0.00 0.00 32.58 33.93 1rhg s HIS 43 CO 0.04 -0.54 1.65 -1.35 -0.85 0.00 0.00 174.74 173.69 1rhg h PRO 44 N 8.39 0.23 0.00 8.40 0.11 -1.93 -2.60 132.00 144.61 1rhg h PRO 44 Ca -0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1rhg h PRO 44 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1rhg h PRO 44 CO 0.29 0.15 0.00 0.93 -0.21 0.00 0.00 178.00 179.16 1rhg h GLU 45 N 0.24 0.00 -0.14 1.05 4.39 -1.99 0.16 114.58 118.28 1rhg h GLU 45 Ca 0.61 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1rhg h GLU 45 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1rhg h GLU 45 CO -0.65 0.00 0.00 -0.85 -1.16 0.00 0.00 179.01 176.35 1rhg n GLU 46 N -2.78 1.63 -0.00 2.33 0.28 -0.98 -3.61 120.64 117.51 1rhg n GLU 46 Ca 0.01 -0.95 0.00 0.00 -0.16 0.00 0.00 57.16 56.06 1rhg n GLU 46 Cb 0.24 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1rhg n GLU 46 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1rhg n LEU 47 N 0.17 1.47 0.28 -1.84 4.77 0.53 -4.81 117.00 117.58 1rhg n LEU 47 Ca 0.16 -1.49 0.16 0.00 -0.03 0.00 0.00 56.01 54.82 1rhg n LEU 47 Cb 0.30 -0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.17 1rhg n LEU 47 CO 0.13 0.37 1.01 1.62 -1.33 0.00 0.00 177.39 179.19 1rhg h VAL 48 N 0.81 0.21 0.07 4.08 3.04 -1.59 -2.04 116.25 120.83 1rhg h VAL 48 Ca 0.00 -0.49 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1rhg h VAL 48 Cb 0.64 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1rhg h VAL 48 CO 0.00 0.06 -0.04 0.25 -1.01 0.00 0.00 177.57 176.83 1rhg h LEU 49 N 0.00 -0.08 -0.42 3.16 5.85 -1.87 -0.65 115.31 121.29 1rhg h LEU 49 Ca -0.00 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.27 1rhg h LEU 49 Cb 0.39 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1rhg h LEU 49 CO 0.01 0.53 0.03 0.25 -0.34 0.00 0.00 178.44 178.93 1rhg h LEU 50 N -0.76 -0.10 -0.17 2.25 5.85 -1.83 -1.73 115.31 118.82 1rhg h LEU 50 Ca -0.01 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1rhg h LEU 50 Cb 0.60 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1rhg h LEU 50 CO 0.02 -0.02 0.08 1.23 -0.34 0.00 0.00 178.44 179.41 1rhg h GLY 51 N 0.15 0.22 0.78 3.75 0.00 -1.44 -0.85 103.07 105.68 1rhg h GLY 51 Ca 0.21 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.55 1rhg h GLY 51 CO -0.31 0.04 0.63 0.45 0.00 0.00 0.00 176.54 177.35 1rhg h HIS 52 N 0.17 1.16 0.00 5.60 3.86 -0.89 -2.64 115.15 122.40 1rhg h HIS 52 Ca 0.07 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1rhg h HIS 52 Cb 0.02 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 1rhg h HIS 52 CO -0.10 0.61 -0.32 0.77 0.86 0.00 0.00 177.93 179.74 1rhg h SER 53 N 1.14 0.00 0.45 2.45 0.02 -0.63 0.10 113.55 117.08 1rhg h SER 53 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1rhg h SER 53 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1rhg h SER 53 CO -0.16 0.32 -0.12 0.18 -1.14 0.00 0.00 176.83 175.91 1rhg n LEU 54 N -3.55 0.40 -2.15 5.07 4.77 -0.39 -4.94 117.00 116.21 1rhg n LEU 54 Ca -0.00 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1rhg n LEU 54 Cb 0.46 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1rhg n LEU 54 CO 0.36 0.08 -0.15 0.61 -1.33 0.00 0.00 177.39 176.95 1rhg n GLY 55 N 1.32 -0.04 3.66 -0.72 0.00 0.36 -4.79 105.19 104.97 1rhg n GLY 55 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1rhg n GLY 55 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rhg n ILE 56 N -2.98 0.48 -3.14 -0.61 5.41 -1.23 -4.97 119.36 112.32 1rhg n ILE 56 Ca -0.14 -0.12 -0.36 0.00 1.00 0.00 0.00 62.75 63.13 1rhg n ILE 56 Cb 0.56 -1.42 -0.06 0.00 -0.71 0.00 0.00 39.64 38.01 1rhg n ILE 56 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1rhg s PRO 57 N 0.21 4.18 -0.02 0.38 0.04 -1.26 -5.01 135.00 133.51 1rhg s PRO 57 Ca 0.74 0.79 0.06 0.00 0.04 0.00 0.00 61.00 62.63 1rhg s PRO 57 Cb -0.70 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1rhg s PRO 57 CO 0.45 0.38 -0.20 -1.58 0.04 0.00 0.00 177.00 176.09 1rhg s TRP 58 N -1.56 2.52 0.18 0.56 0.23 -1.26 -5.04 118.94 114.57 1rhg s TRP 58 Ca 0.43 -0.29 -0.30 0.00 -2.03 0.00 0.00 56.10 53.91 1rhg s TRP 58 Cb -0.16 -1.55 -0.08 0.00 0.03 0.00 0.00 33.47 31.72 1rhg s TRP 58 CO 0.20 0.11 1.02 0.00 0.96 0.00 0.00 176.95 179.23 1rhg s ALA 59 N -0.71 3.32 1.01 0.98 0.00 -1.26 -5.04 121.76 120.06 1rhg s ALA 59 Ca 0.11 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 1rhg s ALA 59 Cb -0.10 -3.29 0.19 0.00 0.00 0.00 0.00 23.12 19.92 1rhg s ALA 59 CO 0.01 -0.04 1.09 -1.25 0.00 0.00 0.00 175.76 175.56 1rhg s PRO 60 N -0.54 0.33 -0.16 0.00 0.04 -1.26 -5.02 135.00 128.39 1rhg s PRO 60 Ca 0.46 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 1rhg s PRO 60 Cb -0.27 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.62 1rhg s PRO 60 CO 0.33 -2.81 0.68 -1.17 0.04 0.00 0.00 177.00 174.08 1rhg s LEU 61 N -6.52 -0.64 0.00 -3.56 2.96 -1.26 -4.77 118.68 104.88 1rhg s LEU 61 Ca 0.66 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 1rhg s LEU 61 Cb -0.19 2.44 0.00 0.00 0.50 0.00 0.00 46.19 48.94 1rhg s LEU 61 CO 0.58 -0.41 0.44 -0.11 -1.32 0.00 0.00 176.35 175.53 1rhg n LEU 71 N 1.88 0.24 -0.06 -0.68 7.94 -1.26 -5.09 117.00 119.97 1rhg n LEU 71 Ca -0.16 0.66 -0.02 0.00 -1.11 0.00 0.00 56.01 55.38 1rhg n LEU 71 Cb 0.56 -0.42 -0.02 0.00 0.53 0.00 0.00 43.42 44.07 1rhg n LEU 71 CO 0.13 -0.42 0.32 0.00 -1.11 0.00 0.00 177.39 176.30 1rhg n ALA 72 N -1.77 -0.10 -0.04 1.96 0.00 -1.26 -1.09 120.51 118.20 1rhg n ALA 72 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1rhg n ALA 72 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1rhg n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rhg n GLY 73 N -1.04 -3.03 0.36 0.00 0.00 -1.26 -0.11 105.19 100.12 1rhg n GLY 73 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.55 1rhg n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhg h LEU 75 N 0.95 0.27 -0.24 0.00 5.85 -0.21 0.22 115.31 122.16 1rhg h LEU 75 Ca 0.38 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.87 1rhg h LEU 75 Cb 0.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1rhg h LEU 75 CO -0.15 0.28 -0.91 0.28 -0.34 0.00 0.00 178.44 177.61 1rhg h SER 76 N 0.31 0.32 -0.25 1.25 0.02 0.11 -2.14 113.55 113.17 1rhg h SER 76 Ca 0.08 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1rhg h SER 76 Cb 0.11 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1rhg h SER 76 CO -0.00 1.07 -0.12 -0.61 -1.14 0.00 0.00 176.83 176.02 1rhg h GLN 77 N 0.13 0.65 -0.26 3.45 4.15 0.14 -1.06 115.11 122.32 1rhg h GLN 77 Ca -0.05 -0.21 -0.13 0.00 0.77 0.00 0.00 58.65 59.03 1rhg h GLN 77 Cb 1.54 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.17 1rhg h GLN 77 CO 0.14 0.76 -0.33 1.25 -1.93 0.00 0.00 178.83 178.72 1rhg h LEU 78 N 0.60 0.74 0.37 -2.39 6.46 -1.10 0.19 115.31 120.17 1rhg h LEU 78 Ca 0.10 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1rhg h LEU 78 Cb 0.56 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1rhg h LEU 78 CO 0.04 1.09 -0.24 -0.74 -0.62 0.00 0.00 178.44 177.97 1rhg h HIS 79 N 0.40 -0.63 0.00 1.25 2.76 -1.20 -1.34 115.15 116.39 1rhg h HIS 79 Ca 0.03 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1rhg h HIS 79 Cb 0.91 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 1rhg h HIS 79 CO 0.08 -0.37 -0.07 0.77 -1.30 0.00 0.00 177.93 177.04 1rhg h SER 80 N -0.59 0.00 -0.59 3.26 0.02 -1.16 -2.55 113.55 111.94 1rhg h SER 80 Ca -0.04 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1rhg h SER 80 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1rhg h SER 80 CO 0.03 0.07 0.12 1.23 -1.14 0.00 0.00 176.83 177.13 1rhg h GLY 81 N 0.20 1.04 1.83 -3.77 0.00 -0.06 -2.16 103.07 100.16 1rhg h GLY 81 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 1rhg h GLY 81 CO 0.01 0.62 -0.22 1.41 0.00 0.00 0.00 176.54 178.37 1rhg h LEU 82 N 0.87 0.20 -0.08 3.11 3.38 -0.97 -2.28 115.31 119.54 1rhg h LEU 82 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1rhg h LEU 82 Cb 0.39 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rhg h LEU 82 CO 0.01 0.43 0.01 0.15 0.09 0.00 0.00 178.44 179.13 1rhg h PHE 83 N 0.19 0.13 0.08 1.13 3.57 -1.22 -0.06 116.94 120.76 1rhg h PHE 83 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1rhg h PHE 83 Cb 0.50 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1rhg h PHE 83 CO 0.01 0.34 -0.21 1.25 -2.23 0.00 0.00 178.31 177.47 1rhg h LEU 84 N -0.11 -0.60 -1.33 0.59 5.85 -1.14 -2.01 115.31 116.55 1rhg h LEU 84 Ca 0.02 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1rhg h LEU 84 Cb 0.28 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1rhg h LEU 84 CO 0.00 -0.29 0.28 1.88 -0.34 0.00 0.00 178.44 179.97 1rhg h TYR 85 N -0.38 0.72 -0.91 1.25 0.05 -1.33 0.68 116.97 117.04 1rhg h TYR 85 Ca 0.04 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.90 1rhg h TYR 85 Cb 0.42 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.86 1rhg h TYR 85 CO -0.22 0.51 0.59 1.96 -1.05 0.00 0.00 178.16 179.95 1rhg h GLN 86 N 0.74 0.89 0.61 4.88 4.20 -0.58 -0.62 115.11 125.22 1rhg h GLN 86 Ca 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1rhg h GLN 86 Cb 0.04 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1rhg h GLN 86 CO -0.03 0.59 -0.38 0.78 -0.67 0.00 0.00 178.83 179.12 1rhg h GLY 87 N 0.91 -1.11 0.95 3.46 0.00 -0.22 -0.67 103.07 106.39 1rhg h GLY 87 Ca 0.42 0.46 0.07 0.00 0.00 0.00 0.00 47.33 48.28 1rhg h GLY 87 CO -0.18 -0.38 0.51 1.41 0.00 0.00 0.00 176.54 177.90 1rhg h LEU 88 N -0.93 0.72 -0.70 3.11 3.38 -0.76 -1.76 115.31 118.37 1rhg h LEU 88 Ca -0.08 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1rhg h LEU 88 Cb 0.75 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1rhg h LEU 88 CO 0.08 0.45 -0.56 -0.07 0.09 0.00 0.00 178.44 178.43 1rhg h LEU 89 N 0.81 0.30 -0.35 1.67 3.38 -0.86 -2.81 115.31 117.45 1rhg h LEU 89 Ca 0.34 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1rhg h LEU 89 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1rhg h LEU 89 CO -0.12 0.80 -0.02 -0.61 0.09 0.00 0.00 178.44 178.58 1rhg h GLN 90 N 0.21 0.62 -0.18 1.13 4.15 -0.24 -3.12 115.11 117.69 1rhg h GLN 90 Ca 0.00 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.27 1rhg h GLN 90 Cb 1.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1rhg h GLN 90 CO 0.09 0.75 0.35 0.00 -1.93 0.00 0.00 178.83 178.09 1rhg h ALA 91 N 0.85 1.68 0.00 3.38 0.00 -1.19 0.00 119.26 123.99 1rhg h ALA 91 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rhg h ALA 91 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rhg h ALA 91 CO 0.02 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1rhg n LEU 92 N -3.32 0.00 -4.39 0.00 4.77 -1.18 -4.68 117.00 108.20 1rhg n LEU 92 Ca 0.02 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.94 1rhg n LEU 92 Cb 0.46 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1rhg n LEU 92 CO 0.21 -0.04 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.31 1rhg n GLU 93 N -1.30 -1.16 -0.37 3.23 1.02 -0.01 -0.17 120.64 121.88 1rhg n GLU 93 Ca 0.12 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1rhg n GLU 93 Cb 0.21 -4.24 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1rhg n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rhg n GLY 94 N -1.81 1.90 5.00 0.62 0.00 -1.26 -4.75 105.19 104.90 1rhg n GLY 94 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1rhg n GLY 94 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rhg n ILE 95 N -2.00 0.00 -4.07 -0.61 5.41 0.76 -3.27 119.36 115.57 1rhg n ILE 95 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1rhg n ILE 95 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1rhg n ILE 95 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1rhg s SER 96 N 0.00 0.17 0.42 4.38 1.04 -1.26 -4.84 113.70 113.62 1rhg s SER 96 Ca 0.00 -1.08 0.13 0.00 0.48 0.00 0.00 55.95 55.48 1rhg s SER 96 Cb 0.00 0.37 0.99 0.00 0.10 0.00 0.00 66.02 67.48 1rhg s SER 96 CO 0.00 -0.82 1.97 -0.65 0.98 0.00 0.00 173.24 174.73 1rhg h PRO 97 N 2.70 0.44 0.08 4.02 0.11 -1.96 -1.85 132.00 135.54 1rhg h PRO 97 Ca -0.33 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1rhg h PRO 97 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rhg h PRO 97 CO 0.53 0.29 -0.04 1.49 -0.21 0.00 0.00 178.00 180.07 1rhg h GLU 98 N 0.45 -0.10 0.00 1.05 4.81 -1.96 -2.95 114.58 115.89 1rhg h GLU 98 Ca 0.28 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1rhg h GLU 98 Cb 0.51 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1rhg h GLU 98 CO -0.08 0.24 0.00 1.28 -0.73 0.00 0.00 179.01 179.72 1rhg n LEU 99 N -4.98 0.00 0.07 1.64 4.77 -0.74 -4.33 117.00 113.43 1rhg n LEU 99 Ca -0.08 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1rhg n LEU 99 Cb 0.21 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1rhg n LEU 99 CO 0.33 -0.00 0.51 1.23 -1.33 0.00 0.00 177.39 178.12 1rhg h GLY 100 N 3.72 -1.18 0.35 -0.72 0.00 -1.25 -2.40 103.07 101.59 1rhg h GLY 100 Ca 0.00 0.59 0.06 0.00 0.00 0.00 0.00 47.33 47.98 1rhg h GLY 100 CO 0.00 -0.35 -0.09 -2.55 0.00 0.00 0.00 176.54 173.55 1rhg h PRO 101 N -0.43 -0.02 -0.92 4.80 0.11 -1.80 -0.33 132.00 133.41 1rhg h PRO 101 Ca -0.01 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 1rhg h PRO 101 Cb 0.43 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.45 1rhg h PRO 101 CO -0.15 -0.01 0.54 1.15 -0.21 0.00 0.00 178.00 179.31 1rhg h THR 102 N -0.02 0.81 0.00 -1.15 2.02 -1.81 -0.33 112.91 112.43 1rhg h THR 102 Ca 0.15 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 66.88 1rhg h THR 102 Cb 0.25 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1rhg h THR 102 CO -0.33 0.14 -0.84 -0.07 0.37 0.00 0.00 175.52 174.79 1rhg h LEU 103 N 0.79 0.00 -0.57 2.58 3.38 -0.60 -2.88 115.31 118.01 1rhg h LEU 103 Ca 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1rhg h LEU 103 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1rhg h LEU 103 CO -0.32 0.84 0.33 0.44 0.09 0.00 0.00 178.44 179.82 1rhg h ASP 104 N 0.00 0.70 -0.62 -0.43 3.32 0.36 -0.56 116.42 119.19 1rhg h ASP 104 Ca -0.01 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1rhg h ASP 104 Cb 1.54 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.87 1rhg h ASP 104 CO 0.11 0.57 0.39 0.74 -1.72 0.00 0.00 179.24 179.33 1rhg h THR 105 N 0.76 1.09 -0.63 0.35 2.02 -1.29 -0.97 112.91 114.25 1rhg h THR 105 Ca 0.20 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1rhg h THR 105 Cb 0.02 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1rhg h THR 105 CO -0.03 0.14 0.04 0.25 0.37 0.00 0.00 175.52 176.29 1rhg h LEU 106 N 0.77 1.05 0.39 2.58 5.85 -1.24 0.29 115.31 125.00 1rhg h LEU 106 Ca 0.25 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1rhg h LEU 106 Cb 0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 1rhg h LEU 106 CO -0.09 1.08 -0.20 1.56 -0.34 0.00 0.00 178.44 180.44 1rhg h GLN 107 N 1.00 -0.52 -0.67 1.25 4.20 -0.02 -0.70 115.11 119.64 1rhg h GLN 107 Ca 0.19 0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.00 1rhg h GLN 107 Cb 0.51 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1rhg h GLN 107 CO 0.02 -0.35 0.35 -0.07 -0.67 0.00 0.00 178.83 178.12 1rhg h LEU 108 N -0.54 0.50 -0.42 1.46 3.38 -1.14 0.10 115.31 118.65 1rhg h LEU 108 Ca -0.05 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1rhg h LEU 108 Cb 0.43 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1rhg h LEU 108 CO 0.07 0.31 -0.21 0.44 0.09 0.00 0.00 178.44 179.14 1rhg h ASP 109 N 0.64 0.91 -0.83 -0.43 3.32 -0.85 -0.21 116.42 118.97 1rhg h ASP 109 Ca 0.31 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1rhg h ASP 109 Cb 0.25 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1rhg h ASP 109 CO -0.21 1.12 0.42 0.58 -1.72 0.00 0.00 179.24 179.43 1rhg h VAL 110 N 0.71 1.25 0.07 -1.35 2.07 -0.70 -2.91 116.25 115.39 1rhg h VAL 110 Ca 0.09 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1rhg h VAL 110 Cb 0.78 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1rhg h VAL 110 CO 0.06 0.30 -0.21 0.00 0.02 0.00 0.00 177.57 177.74 1rhg h ALA 111 N 1.28 -0.32 -0.93 1.67 0.00 -0.56 -1.70 119.26 118.71 1rhg h ALA 111 Ca 0.29 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.34 1rhg h ALA 111 Cb 0.08 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 18.05 1rhg h ALA 111 CO -0.04 -0.72 -0.32 -0.44 0.00 0.00 0.00 179.25 177.73 1rhg h ASP 112 N -0.37 -1.17 -0.04 0.00 3.32 -0.86 -1.37 116.42 115.93 1rhg h ASP 112 Ca 0.04 0.29 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 1rhg h ASP 112 Cb 0.41 0.67 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1rhg h ASP 112 CO -0.14 -0.30 -0.51 0.15 -1.72 0.00 0.00 179.24 176.72 1rhg h PHE 113 N -0.02 0.75 -0.03 4.55 3.57 -1.31 -1.14 116.94 123.31 1rhg h PHE 113 Ca 0.38 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1rhg h PHE 113 Cb 0.63 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1rhg h PHE 113 CO -0.79 0.99 -0.04 0.00 -2.23 0.00 0.00 178.31 176.24 1rhg h ALA 114 N 0.96 -0.02 -0.08 2.41 0.00 -0.70 -2.22 119.26 119.61 1rhg h ALA 114 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rhg h ALA 114 Cb 1.05 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1rhg h ALA 114 CO 0.10 -0.53 -0.07 1.15 0.00 0.00 0.00 179.25 179.90 1rhg h THR 115 N -0.06 0.79 -0.36 0.00 2.02 -0.96 -1.57 112.91 112.77 1rhg h THR 115 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 1rhg h THR 115 Cb 0.10 0.79 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 1rhg h THR 115 CO -0.07 0.00 -0.27 0.74 0.37 0.00 0.00 175.52 176.29 1rhg h THR 116 N -0.08 0.31 -0.52 3.16 2.02 -1.14 0.73 112.91 117.39 1rhg h THR 116 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 1rhg h THR 116 Cb 0.17 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1rhg h THR 116 CO -0.13 0.00 0.31 0.40 0.37 0.00 0.00 175.52 176.47 1rhg h ILE 117 N -0.22 1.05 0.10 3.11 1.08 -1.21 -1.64 117.51 119.79 1rhg h ILE 117 Ca 0.17 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1rhg h ILE 117 Cb 0.50 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1rhg h ILE 117 CO -0.49 0.11 -0.05 -0.25 -0.69 0.00 0.00 178.15 176.78 1rhg h TRP 118 N 0.62 -0.13 -0.80 1.37 2.91 -0.57 -1.72 115.95 117.63 1rhg h TRP 118 Ca 0.21 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.39 1rhg h TRP 118 Cb 0.02 0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 28.66 1rhg h TRP 118 CO -0.06 -0.01 0.53 1.96 -1.03 0.00 0.00 178.44 179.82 1rhg h GLN 119 N -0.21 0.41 -0.51 2.65 4.20 -0.50 0.35 115.11 121.49 1rhg h GLN 119 Ca -0.01 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1rhg h GLN 119 Cb 0.17 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1rhg h GLN 119 CO 0.02 0.27 -0.13 0.37 -0.67 0.00 0.00 178.83 178.69 1rhg h GLN 120 N 0.42 0.98 -0.70 1.46 5.75 -0.65 -2.12 115.11 120.24 1rhg h GLN 120 Ca 0.40 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1rhg h GLN 120 Cb 0.93 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 1rhg h GLN 120 CO -0.13 1.04 0.26 0.52 -2.65 0.00 0.00 178.83 177.87 1rhg h MET 121 N 0.86 1.06 0.90 1.69 2.86 0.48 -2.61 114.93 120.17 1rhg h MET 121 Ca 0.13 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1rhg h MET 121 Cb 0.69 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.19 1rhg h MET 121 CO 0.05 0.88 -0.43 0.93 1.06 0.00 0.00 176.91 179.40 1rhg h GLU 122 N 1.00 -1.17 0.00 1.72 5.08 -1.02 0.35 114.58 120.54 1rhg h GLU 122 Ca 0.23 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1rhg h GLU 122 Cb 0.24 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1rhg h GLU 122 CO -0.02 -0.78 0.00 -0.85 -1.00 0.00 0.00 179.01 176.37 1rhg n GLU 123 N -5.28 0.01 -0.14 2.33 0.28 -0.81 -0.15 120.64 116.87 1rhg n GLU 123 Ca -0.15 0.40 0.08 0.00 -0.16 0.00 0.00 57.16 57.33 1rhg n GLU 123 Cb 0.48 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.00 1rhg n GLU 123 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1rhg n LEU 124 N -1.45 2.93 -0.22 -1.84 7.94 -0.99 -4.98 117.00 118.40 1rhg n LEU 124 Ca 0.01 -1.53 -0.03 0.00 -1.11 0.00 0.00 56.01 53.35 1rhg n LEU 124 Cb 0.04 -0.19 -0.01 0.00 0.53 0.00 0.00 43.42 43.79 1rhg n LEU 124 CO 0.03 0.65 -0.03 0.61 -1.11 0.00 0.00 177.39 177.55 1rhg n GLY 125 N 0.99 0.57 0.00 -3.96 0.00 0.78 -5.05 105.19 98.52 1rhg n GLY 125 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1rhg n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rhg n MET 126 N -2.08 3.60 -3.62 1.61 2.81 0.11 -4.98 117.12 114.57 1rhg n MET 126 Ca -0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 1rhg n MET 126 Cb 0.20 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.64 1rhg n MET 126 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1rhg s MET 137 N 1.02 0.41 0.92 0.03 -1.94 -1.26 -4.93 119.30 113.55 1rhg s MET 137 Ca 0.00 0.74 -0.12 0.00 -1.71 0.00 0.00 55.69 54.60 1rhg s MET 137 Cb 0.00 0.14 0.07 0.00 2.01 0.00 0.00 34.83 37.05 1rhg s MET 137 CO 0.00 -0.09 0.68 -0.35 -0.01 0.00 0.00 175.02 175.24 1rhg n PRO 138 N 3.95 -0.27 -4.26 2.03 -0.04 -1.26 -5.01 135.00 130.14 1rhg n PRO 138 Ca -0.18 -0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1rhg n PRO 138 Cb 0.57 -2.04 -0.15 0.00 -0.04 0.00 0.00 33.50 31.84 1rhg n PRO 138 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rhg s ALA 139 N -2.41 2.62 -1.15 0.55 0.00 -1.26 -4.94 121.76 115.16 1rhg s ALA 139 Ca 0.61 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1rhg s ALA 139 Cb -0.23 -1.40 0.24 0.00 0.00 0.00 0.00 23.12 21.72 1rhg s ALA 139 CO 0.63 -0.19 1.23 -0.06 0.00 0.00 0.00 175.76 177.37 1rhg s PHE 140 N 1.07 3.97 -1.29 0.00 0.08 -1.26 -4.84 117.98 115.70 1rhg s PHE 140 Ca -0.00 -2.46 0.19 0.00 0.12 0.00 0.00 56.93 54.77 1rhg s PHE 140 Cb -0.15 -4.03 0.91 0.00 -0.57 0.00 0.00 43.02 39.18 1rhg s PHE 140 CO -0.03 -1.13 1.59 0.00 -0.10 0.00 0.00 175.22 175.56 1rhg n ALA 141 N 3.88 1.96 -2.35 5.36 0.00 -1.26 -4.75 120.51 123.35 1rhg n ALA 141 Ca 0.29 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 1rhg n ALA 141 Cb 0.41 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1rhg n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rhg s SER 142 N -2.71 1.66 -0.01 0.00 0.15 -1.26 -5.04 113.70 106.49 1rhg s SER 142 Ca 0.15 -1.32 -0.19 0.00 0.70 0.00 0.00 55.95 55.29 1rhg s SER 142 Cb 0.13 0.06 -0.31 0.00 -1.71 0.00 0.00 66.02 64.18 1rhg s SER 142 CO 0.31 -0.63 0.98 0.00 1.20 0.00 0.00 173.24 175.10 1rhg h ALA 143 N 2.37 -0.07 -0.24 5.45 0.00 -1.97 -1.25 119.26 123.54 1rhg h ALA 143 Ca -0.39 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 1rhg h ALA 143 Cb 1.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1rhg h ALA 143 CO 0.64 0.49 0.11 0.35 0.00 0.00 0.00 179.25 180.84 1rhg h PHE 144 N -0.12 0.32 -0.17 0.00 3.57 -1.99 -1.47 116.94 117.08 1rhg h PHE 144 Ca -0.17 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 1rhg h PHE 144 Cb 1.76 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1rhg h PHE 144 CO 0.16 0.24 -0.25 1.96 -2.23 0.00 0.00 178.31 178.20 1rhg h GLN 145 N 0.33 0.30 -0.00 1.11 4.20 -1.90 0.17 115.11 119.33 1rhg h GLN 145 Ca 0.09 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rhg h GLN 145 Cb 0.04 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1rhg h GLN 145 CO -0.01 0.53 -0.00 0.00 -0.67 0.00 0.00 178.83 178.68 1rhg h ARG 146 N 0.27 0.00 -0.19 1.46 3.08 -0.16 -0.17 114.38 118.67 1rhg h ARG 146 Ca 0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1rhg h ARG 146 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1rhg h ARG 146 CO 0.04 0.51 0.06 0.00 -1.07 0.00 0.00 179.97 179.51 1rhg h ARG 147 N -0.51 0.29 0.00 0.04 3.08 -1.28 0.35 114.38 116.36 1rhg h ARG 147 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1rhg h ARG 147 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1rhg h ARG 147 CO 0.00 0.40 -0.25 0.00 -1.07 0.00 0.00 179.97 179.05 1rhg h ALA 148 N 0.88 1.06 0.00 0.04 0.00 -1.06 -1.59 119.26 118.59 1rhg h ALA 148 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1rhg h ALA 148 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rhg h ALA 148 CO -0.00 0.31 -0.31 0.78 0.00 0.00 0.00 179.25 180.02 1rhg h GLY 149 N 1.86 0.00 0.84 0.00 0.00 0.12 -2.52 103.07 103.36 1rhg h GLY 149 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1rhg h GLY 149 CO 0.03 0.00 -0.28 -1.33 0.00 0.00 0.00 176.54 174.96 1rhg h GLY 150 N 3.50 -0.82 -0.04 4.60 0.00 0.61 -1.65 103.07 109.27 1rhg h GLY 150 Ca -0.00 0.30 0.20 0.00 0.00 0.00 0.00 47.33 47.83 1rhg h GLY 150 CO 0.04 -0.30 0.46 -2.08 0.00 0.00 0.00 176.54 174.66 1rhg h VAL 151 N -0.96 0.58 -0.02 4.60 2.07 -1.43 -1.02 116.25 120.06 1rhg h VAL 151 Ca -0.08 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.06 1rhg h VAL 151 Cb 0.66 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1rhg h VAL 151 CO 0.13 0.10 -0.84 0.25 0.02 0.00 0.00 177.57 177.23 1rhg h LEU 152 N 0.53 0.42 0.02 2.57 5.85 -1.38 -2.12 115.31 121.20 1rhg h LEU 152 Ca 0.55 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1rhg h LEU 152 Cb 0.96 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.87 1rhg h LEU 152 CO -0.46 1.09 -0.27 0.58 -0.34 0.00 0.00 178.44 179.04 1rhg h VAL 153 N 0.20 1.61 -0.38 1.05 2.07 -0.27 -2.61 116.25 117.93 1rhg h VAL 153 Ca -0.05 -2.15 0.06 0.00 0.82 0.00 0.00 66.70 65.38 1rhg h VAL 153 Cb 1.45 3.02 -0.05 0.00 -1.52 0.00 0.00 31.29 34.19 1rhg h VAL 153 CO 0.14 0.58 0.07 0.00 0.02 0.00 0.00 177.57 178.38 1rhg h ALA 154 N 0.16 0.40 -0.19 1.67 0.00 -1.34 0.28 119.26 120.23 1rhg h ALA 154 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rhg h ALA 154 Cb 1.11 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1rhg h ALA 154 CO 0.05 -0.33 0.11 1.03 0.00 0.00 0.00 179.25 180.11 1rhg h SER 155 N 0.19 0.18 0.53 0.00 0.87 -1.47 -1.55 113.55 112.30 1rhg h SER 155 Ca 0.18 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1rhg h SER 155 Cb 0.22 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1rhg h SER 155 CO -0.24 0.14 -0.43 0.45 -0.53 0.00 0.00 176.83 176.22 1rhg h HIS 156 N 0.24 0.00 0.12 2.24 3.86 -0.94 -2.70 115.15 117.96 1rhg h HIS 156 Ca 0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1rhg h HIS 156 Cb -0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1rhg h HIS 156 CO -0.08 0.43 -0.06 1.25 0.86 0.00 0.00 177.93 180.33 1rhg h LEU 157 N 0.00 -0.13 -0.83 2.43 5.85 -0.12 0.15 115.31 122.66 1rhg h LEU 157 Ca -0.00 -0.24 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1rhg h LEU 157 Cb 0.81 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.73 1rhg h LEU 157 CO 0.06 0.18 -0.39 -0.61 -0.34 0.00 0.00 178.44 177.33 1rhg h GLN 158 N -0.46 -0.07 -0.30 1.25 5.75 -1.09 0.10 115.11 120.29 1rhg h GLN 158 Ca -0.02 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1rhg h GLN 158 Cb 0.37 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1rhg h GLN 158 CO 0.03 -0.05 -0.28 0.77 -2.65 0.00 0.00 178.83 176.65 1rhg h SER 159 N -0.07 0.62 -0.55 -0.69 0.02 -1.13 -2.03 113.55 109.72 1rhg h SER 159 Ca 0.28 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1rhg h SER 159 Cb 0.57 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1rhg h SER 159 CO -0.86 0.87 0.32 0.15 -1.14 0.00 0.00 176.83 176.17 1rhg h PHE 160 N 0.53 0.73 -0.13 3.45 3.57 0.15 -2.97 116.94 122.27 1rhg h PHE 160 Ca 0.07 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 1rhg h PHE 160 Cb 0.75 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1rhg h PHE 160 CO 0.03 0.51 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.02 1rhg h LEU 161 N 0.74 0.40 -0.65 0.59 3.38 -0.68 -1.83 115.31 117.26 1rhg h LEU 161 Ca 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1rhg h LEU 161 Cb 0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1rhg h LEU 161 CO -0.04 0.86 0.35 -0.33 0.09 0.00 0.00 178.44 179.38 1rhg h GLU 162 N 0.28 0.90 -0.39 1.13 4.39 -1.22 -1.23 114.58 118.45 1rhg h GLU 162 Ca 0.01 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1rhg h GLU 162 Cb 1.03 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1rhg h GLU 162 CO 0.09 0.68 -0.09 0.28 -1.16 0.00 0.00 179.01 178.82 1rhg h VAL 163 N 0.88 1.24 -0.26 3.13 2.07 -1.44 0.56 116.25 122.43 1rhg h VAL 163 Ca 0.23 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1rhg h VAL 163 Cb 0.05 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1rhg h VAL 163 CO -0.04 0.36 -0.00 0.77 0.02 0.00 0.00 177.57 178.68 1rhg h SER 164 N 0.61 0.36 0.11 0.57 4.64 -0.90 0.23 113.55 119.17 1rhg h SER 164 Ca 0.11 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1rhg h SER 164 Cb 0.51 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rhg h SER 164 CO 0.03 0.42 -0.05 0.22 -0.87 0.00 0.00 176.83 176.58 1rhg h TYR 165 N 0.38 -0.14 -0.06 4.77 3.20 -0.20 -0.07 116.97 124.85 1rhg h TYR 165 Ca 0.09 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1rhg h TYR 165 Cb 0.26 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1rhg h TYR 165 CO 0.01 -0.05 -0.43 0.00 -1.64 0.00 0.00 178.16 176.05 1rhg h ARG 166 N -0.19 0.13 0.00 1.82 2.47 0.01 -1.43 114.38 117.20 1rhg h ARG 166 Ca -0.02 -0.06 -0.19 0.00 -1.26 0.00 0.00 59.98 58.45 1rhg h ARG 166 Cb 0.15 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1rhg h ARG 166 CO 0.03 0.54 -0.89 -0.39 0.56 0.00 0.00 179.97 179.82 1rhg h VAL 167 N 0.11 1.62 -0.13 2.04 -1.51 -0.14 -0.87 116.25 117.37 1rhg h VAL 167 Ca 0.01 -2.98 -0.22 0.00 -1.23 0.00 0.00 66.70 62.29 1rhg h VAL 167 Cb 0.81 2.62 0.01 0.00 -2.13 0.00 0.00 31.29 32.59 1rhg h VAL 167 CO 0.06 0.85 -0.78 -0.07 -1.23 0.00 0.00 177.57 176.40 1rhg h LEU 168 N 0.01 0.82 0.01 4.19 3.38 -1.01 0.30 115.31 123.00 1rhg h LEU 168 Ca -0.02 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1rhg h LEU 168 Cb 1.56 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 1rhg h LEU 168 CO 0.12 1.33 -0.46 -0.09 0.09 0.00 0.00 178.44 179.42 1rhg h ARG 169 N 0.46 -0.59 0.00 1.13 9.65 -0.91 -0.01 114.38 124.11 1rhg h ARG 169 Ca -0.05 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1rhg h ARG 169 Cb 1.40 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 1rhg h ARG 169 CO 0.15 -0.40 0.00 0.72 2.80 0.00 0.00 179.97 183.25 1rhg n HIS 170 N -5.46 0.00 0.06 2.20 8.25 -0.36 -2.92 115.22 116.99 1rhg n HIS 170 Ca -0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.35 1rhg n HIS 170 Cb 0.38 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 1rhg n HIS 170 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1rhg h LEU 171 N 0.00 0.00 -0.22 2.41 5.85 0.95 -3.51 115.31 120.79 1rhg h LEU 171 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rhg h LEU 171 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1rhg h LEU 171 CO 0.00 0.89 0.00 0.00 -0.34 0.00 0.00 178.44 178.99