#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhg n PRO 10 N 0.00 2.41 -0.29 3.23 -0.04 -1.26 -4.90 135.00 134.15 1rhg n PRO 10 Ca 0.00 0.88 0.14 0.00 -0.04 0.00 0.00 63.50 64.48 1rhg n PRO 10 Cb 0.00 -2.75 0.39 0.00 -0.04 0.00 0.00 33.50 31.10 1rhg n PRO 10 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1rhg h GLN 11 N 9.09 0.63 -0.36 0.54 5.75 -1.99 0.93 115.11 129.69 1rhg h GLN 11 Ca -0.48 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 57.90 1rhg h GLN 11 Cb 1.26 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 1rhg h GLN 11 CO 0.94 0.41 -0.13 1.03 -2.65 0.00 0.00 178.83 178.44 1rhg h SER 12 N 0.65 0.62 -0.41 -0.69 0.87 -1.99 -0.52 113.55 112.07 1rhg h SER 12 Ca 0.49 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1rhg h SER 12 Cb 0.89 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1rhg h SER 12 CO -0.24 0.77 0.09 0.15 -0.53 0.00 0.00 176.83 177.07 1rhg h PHE 13 N 0.57 0.76 -0.38 2.24 3.57 -1.23 -1.02 116.94 121.46 1rhg h PHE 13 Ca 0.10 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1rhg h PHE 13 Cb 0.56 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1rhg h PHE 13 CO 0.02 0.66 -0.00 1.25 -2.23 0.00 0.00 178.31 178.01 1rhg h LEU 14 N 0.71 0.57 0.12 0.59 6.46 -0.47 -0.41 115.31 122.88 1rhg h LEU 14 Ca 0.16 -0.12 -0.30 0.00 -0.12 0.00 0.00 57.88 57.50 1rhg h LEU 14 Cb 0.30 -0.15 0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1rhg h LEU 14 CO 0.00 0.64 -1.26 -0.07 -0.62 0.00 0.00 178.44 177.14 1rhg h LEU 15 N 0.58 0.83 -0.71 2.25 3.38 -0.55 -0.65 115.31 120.44 1rhg h LEU 15 Ca 0.12 -0.78 0.09 0.00 0.09 0.00 0.00 57.88 57.40 1rhg h LEU 15 Cb 0.37 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1rhg h LEU 15 CO 0.01 1.59 0.37 0.11 0.09 0.00 0.00 178.44 180.61 1rhg h LYS 16 N 0.25 0.62 -0.02 1.13 1.57 -0.91 -2.34 116.57 116.87 1rhg h LYS 16 Ca -0.19 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1rhg h LYS 16 Cb 1.93 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.10 1rhg h LYS 16 CO 0.24 0.41 0.01 0.00 -0.57 0.00 0.00 179.45 179.53 1rhg h LEU 18 N -0.17 0.05 0.19 0.00 3.38 -0.90 0.11 115.31 117.97 1rhg h LEU 18 Ca 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1rhg h LEU 18 Cb 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rhg h LEU 18 CO -0.00 0.04 -0.09 -0.08 0.09 0.00 0.00 178.44 178.39 1rhg h GLU 19 N 0.06 -0.25 -0.37 1.13 4.81 -1.33 -2.95 114.58 115.68 1rhg h GLU 19 Ca 0.05 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1rhg h GLU 19 Cb 0.13 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1rhg h GLU 19 CO -0.01 0.01 0.02 1.96 -0.73 0.00 0.00 179.01 180.27 1rhg h GLN 20 N -0.49 0.57 -0.16 1.92 4.20 -0.46 -1.45 115.11 119.24 1rhg h GLN 20 Ca -0.03 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.61 1rhg h GLN 20 Cb 0.37 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1rhg h GLN 20 CO 0.04 0.58 -0.14 0.28 -0.67 0.00 0.00 178.83 178.92 1rhg h VAL 21 N 0.55 0.60 -0.51 -0.54 2.07 -0.87 -1.78 116.25 115.77 1rhg h VAL 21 Ca 0.12 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 1rhg h VAL 21 Cb 0.32 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1rhg h VAL 21 CO 0.01 0.00 -0.03 0.03 0.02 0.00 0.00 177.57 177.59 1rhg h ARG 22 N -0.16 0.88 0.00 1.57 2.47 -1.26 0.36 114.38 118.24 1rhg h ARG 22 Ca 0.10 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.51 1rhg h ARG 22 Cb 0.31 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1rhg h ARG 22 CO -0.26 0.90 -0.21 -0.22 0.56 0.00 0.00 179.97 180.74 1rhg h LYS 23 N 0.81 0.00 0.17 0.04 3.64 -0.95 -0.62 116.57 119.65 1rhg h LYS 23 Ca 0.15 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.21 1rhg h LYS 23 Cb 0.53 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1rhg h LYS 23 CO 0.03 0.21 -1.50 0.82 -2.27 0.00 0.00 179.45 176.74 1rhg h ILE 24 N 0.00 1.22 -0.44 2.00 2.04 -0.11 -3.07 117.51 119.15 1rhg h ILE 24 Ca -0.00 -2.78 -0.02 0.00 1.00 0.00 0.00 64.86 63.06 1rhg h ILE 24 Cb 0.46 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 1rhg h ILE 24 CO 0.03 0.84 0.21 1.56 0.00 0.00 0.00 178.15 180.78 1rhg h GLN 25 N 0.10 0.62 0.84 2.37 4.20 -0.40 -0.33 115.11 122.50 1rhg h GLN 25 Ca -0.24 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 1rhg h GLN 25 Cb 2.06 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.73 1rhg h GLN 25 CO 0.20 0.49 -0.41 0.78 -0.67 0.00 0.00 178.83 179.22 1rhg h GLY 26 N 0.74 -1.19 0.85 3.46 0.00 -1.18 -0.84 103.07 104.92 1rhg h GLY 26 Ca 0.16 0.44 0.10 0.00 0.00 0.00 0.00 47.33 48.03 1rhg h GLY 26 CO -0.02 -0.43 0.50 -0.55 0.00 0.00 0.00 176.54 176.04 1rhg h ASP 27 N -1.14 0.61 0.72 0.19 3.32 -1.35 -0.19 116.42 118.59 1rhg h ASP 27 Ca -0.11 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1rhg h ASP 27 Cb 0.87 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.32 1rhg h ASP 27 CO 0.18 0.36 -0.35 1.23 -1.72 0.00 0.00 179.24 178.95 1rhg h GLY 28 N 0.68 -1.01 1.47 2.75 0.00 -0.92 -0.14 103.07 105.89 1rhg h GLY 28 Ca 0.36 0.37 0.07 0.00 0.00 0.00 0.00 47.33 48.13 1rhg h GLY 28 CO -0.13 -0.37 0.20 0.00 0.00 0.00 0.00 176.54 176.24 1rhg h ALA 29 N -0.93 2.05 -0.09 3.60 0.00 -0.71 0.11 119.26 123.29 1rhg h ALA 29 Ca -0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1rhg h ALA 29 Cb 0.77 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rhg h ALA 29 CO 0.16 -0.32 -0.48 0.00 0.00 0.00 0.00 179.25 178.61 1rhg h ALA 30 N 1.82 0.18 0.02 0.00 0.00 -0.42 -1.78 119.26 119.09 1rhg h ALA 30 Ca 0.11 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1rhg h ALA 30 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rhg h ALA 30 CO -0.00 0.35 -0.06 1.25 0.00 0.00 0.00 179.25 180.79 1rhg h LEU 31 N 0.07 -0.17 -0.69 0.00 5.85 0.83 -1.46 115.31 119.74 1rhg h LEU 31 Ca -0.03 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1rhg h LEU 31 Cb 1.13 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1rhg h LEU 31 CO 0.10 -0.09 0.30 1.56 -0.34 0.00 0.00 178.44 179.96 1rhg h GLN 32 N -0.12 0.48 -0.36 1.25 4.20 -1.24 -0.96 115.11 118.36 1rhg h GLN 32 Ca 0.02 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1rhg h GLN 32 Cb 0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1rhg h GLN 32 CO -0.05 0.31 -0.37 1.49 -0.67 0.00 0.00 178.83 179.55 1rhg h GLU 33 N 0.49 0.88 -0.78 1.46 4.22 -1.11 -2.09 114.58 117.65 1rhg h GLU 33 Ca 0.36 -0.47 -0.03 0.00 0.08 0.00 0.00 59.36 59.29 1rhg h GLU 33 Cb 0.45 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1rhg h GLU 33 CO -0.32 1.12 0.37 0.87 -2.18 0.00 0.00 179.01 178.87 1rhg h LYS 34 N 0.68 1.13 -0.82 1.92 1.57 -0.85 -0.75 116.57 119.45 1rhg h LYS 34 Ca 0.05 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1rhg h LYS 34 Cb 0.97 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 1rhg h LYS 34 CO 0.09 0.88 0.37 -0.07 -0.57 0.00 0.00 179.45 180.15 1rhg h LEU 35 N 1.11 1.09 -0.43 2.94 3.38 -1.09 0.23 115.31 122.55 1rhg h LEU 35 Ca 0.27 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1rhg h LEU 35 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1rhg h LEU 35 CO -0.03 0.94 -0.09 0.00 0.09 0.00 0.00 178.44 179.34 1rhg n ALA 37 N -2.45 -0.25 -0.09 0.00 0.00 -0.30 -1.76 120.51 115.66 1rhg n ALA 37 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1rhg n ALA 37 Cb 0.36 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.30 1rhg n ALA 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rhg h THR 38 N 0.00 0.89 0.00 0.00 2.02 -0.69 -3.34 112.91 111.79 1rhg h THR 38 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1rhg h THR 38 Cb 0.00 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1rhg h THR 38 CO 0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 1rhg n TYR 39 N -4.47 0.00 -2.05 3.16 4.01 -0.70 -5.02 117.16 112.09 1rhg n TYR 39 Ca 0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 1rhg n TYR 39 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.37 -1.01 -3.36 -0.72 4.01 -0.72 -4.94 118.16 111.05 1rhg n LYS 40 Ca 0.00 0.71 -0.46 0.00 -0.51 0.00 0.00 58.31 58.05 1rhg n LYS 40 Cb 0.04 -4.89 -0.03 0.00 -0.51 0.00 0.00 35.03 29.63 1rhg n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1rhg s LEU 41 N -3.57 6.55 0.00 -0.35 1.43 -1.15 -4.83 118.68 116.76 1rhg s LEU 41 Ca 0.00 -2.56 0.15 0.00 -1.03 0.00 0.00 54.13 50.69 1rhg s LEU 41 Cb 0.00 -2.18 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1rhg s LEU 41 CO 0.00 -0.60 0.69 0.00 0.23 0.00 0.00 176.35 176.67 1rhg s HIS 43 N -2.14 1.05 0.40 0.00 3.76 -1.26 -4.99 115.29 112.10 1rhg s HIS 43 Ca 0.08 -1.15 0.30 0.00 -0.15 0.00 0.00 55.06 54.15 1rhg s HIS 43 Cb 0.11 -1.22 1.64 0.00 1.11 0.00 0.00 32.58 34.22 1rhg s HIS 43 CO 0.51 -0.76 1.91 -1.00 -0.85 0.00 0.00 174.74 174.55 1rhg h PRO 44 N 8.24 0.00 0.00 8.40 0.13 -1.93 -0.57 132.00 146.27 1rhg h PRO 44 Ca -0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.92 1rhg h PRO 44 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1rhg h PRO 44 CO 0.41 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 178.86 1rhg h GLU 45 N 0.00 0.00 0.00 0.86 3.07 -2.01 -2.07 114.58 114.43 1rhg h GLU 45 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rhg h GLU 45 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1rhg h GLU 45 CO 0.00 0.25 0.00 0.39 -1.40 0.00 0.00 179.01 178.25 1rhg n GLU 46 N -3.40 0.04 0.00 2.33 1.02 -0.22 -3.61 120.64 116.81 1rhg n GLU 46 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1rhg n GLU 46 Cb 0.45 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1rhg n GLU 46 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rhg n LEU 47 N -1.64 1.97 -0.08 -4.62 4.77 -0.79 -4.80 117.00 111.81 1rhg n LEU 47 Ca 0.05 -1.97 -0.14 0.00 -0.03 0.00 0.00 56.01 53.92 1rhg n LEU 47 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1rhg n LEU 47 CO 0.20 0.49 0.46 1.62 -1.33 0.00 0.00 177.39 178.84 1rhg h VAL 48 N 0.00 1.27 -0.70 4.08 3.04 -1.59 -2.53 116.25 119.83 1rhg h VAL 48 Ca 0.00 -1.69 0.03 0.00 -1.01 0.00 0.00 66.70 64.03 1rhg h VAL 48 Cb 0.49 1.57 -0.04 0.00 -2.01 0.00 0.00 31.29 31.30 1rhg h VAL 48 CO 0.00 0.56 0.46 -0.07 -1.01 0.00 0.00 177.57 177.51 1rhg h LEU 49 N 0.69 0.73 -1.41 3.16 3.38 -1.87 -1.48 115.31 118.51 1rhg h LEU 49 Ca 0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1rhg h LEU 49 Cb 1.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1rhg h LEU 49 CO 0.12 0.51 -0.22 0.25 0.09 0.00 0.00 178.44 179.18 1rhg h LEU 50 N 0.85 0.00 -1.52 1.67 5.85 -1.84 -2.49 115.31 117.83 1rhg h LEU 50 Ca 0.28 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1rhg h LEU 50 Cb 0.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1rhg h LEU 50 CO -0.08 0.22 0.37 1.23 -0.34 0.00 0.00 178.44 179.85 1rhg h GLY 51 N 1.53 0.72 0.60 3.75 0.00 -0.85 0.20 103.07 109.02 1rhg h GLY 51 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1rhg h GLY 51 CO 0.03 0.20 -0.27 0.45 0.00 0.00 0.00 176.54 176.95 1rhg h HIS 52 N 0.62 -0.70 -0.93 5.60 3.86 -1.51 -2.88 115.15 119.21 1rhg h HIS 52 Ca 0.23 -0.02 0.22 0.00 -1.16 0.00 0.00 60.37 59.65 1rhg h HIS 52 Cb 0.15 0.23 -0.12 0.00 1.06 0.00 0.00 27.41 28.73 1rhg h HIS 52 CO -0.00 -0.41 0.47 1.03 0.86 0.00 0.00 177.93 179.89 1rhg h SER 53 N -1.17 0.49 0.00 2.45 0.87 -1.34 -1.50 113.55 113.35 1rhg h SER 53 Ca -0.08 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1rhg h SER 53 Cb 0.60 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1rhg h SER 53 CO 0.13 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 176.68 1rhg n LEU 54 N -4.96 0.48 -2.24 2.23 4.77 0.67 -4.89 117.00 113.06 1rhg n LEU 54 Ca 0.23 -0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1rhg n LEU 54 Cb 0.66 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1rhg n LEU 54 CO 0.15 0.12 -0.15 0.61 -1.33 0.00 0.00 177.39 176.79 1rhg n GLY 55 N 0.26 -0.19 3.67 -0.72 0.00 -0.57 -4.49 105.19 103.14 1rhg n GLY 55 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1rhg n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rhg s ILE 56 N -2.49 3.82 -0.82 -0.61 1.01 -1.14 -4.08 121.20 116.88 1rhg s ILE 56 Ca 0.00 1.08 -0.25 0.00 0.00 0.00 0.00 60.65 61.48 1rhg s ILE 56 Cb 0.00 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1rhg s ILE 56 CO 0.00 -0.06 1.59 -2.84 0.00 0.00 0.00 174.94 173.63 1rhg s PRO 57 N 3.25 3.05 0.18 2.79 0.02 -1.26 -4.92 135.00 138.11 1rhg s PRO 57 Ca 0.65 -0.32 -0.32 0.00 0.02 0.00 0.00 61.00 61.03 1rhg s PRO 57 Cb -0.29 -4.73 -0.12 0.00 0.02 0.00 0.00 34.50 29.38 1rhg s PRO 57 CO 0.24 -2.54 1.76 1.87 -0.33 0.00 0.00 177.00 178.01 1rhg n TRP 58 N 10.88 2.72 -2.90 6.54 -0.00 -1.26 -4.97 117.44 128.45 1rhg n TRP 58 Ca 0.23 -0.02 -0.42 0.00 -0.00 0.00 0.00 57.50 57.28 1rhg n TRP 58 Cb 0.50 -2.70 -0.04 0.00 -0.00 0.00 0.00 31.31 29.07 1rhg n TRP 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1rhg s ALA 59 N 1.67 3.56 0.43 5.87 0.00 -1.26 -5.04 121.76 126.99 1rhg s ALA 59 Ca 0.77 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1rhg s ALA 59 Cb -0.50 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 1rhg s ALA 59 CO 0.34 -1.17 1.21 -1.25 0.00 0.00 0.00 175.76 174.90 1rhg s PRO 60 N 3.00 3.87 -0.20 0.00 0.04 -1.26 -5.00 135.00 135.46 1rhg s PRO 60 Ca 0.34 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 63.04 1rhg s PRO 60 Cb -0.14 -2.58 0.08 0.00 0.04 0.00 0.00 34.50 31.90 1rhg s PRO 60 CO 0.12 -0.50 0.79 -1.17 0.04 0.00 0.00 177.00 176.27 1rhg s LEU 61 N -2.72 -0.64 0.00 -3.56 1.98 -1.26 -4.84 118.68 107.64 1rhg s LEU 61 Ca 0.60 1.05 0.00 0.00 -2.89 0.00 0.00 54.13 52.89 1rhg s LEU 61 Cb -0.33 2.33 0.00 0.00 0.66 0.00 0.00 46.19 48.86 1rhg s LEU 61 CO 0.41 -0.34 0.00 0.18 -1.89 0.00 0.00 176.35 174.70 1rhg n LEU 71 N 1.94 0.00 0.00 -0.68 7.99 -1.26 -5.07 117.00 119.91 1rhg n LEU 71 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 1rhg n LEU 71 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1rhg n LEU 71 CO 0.10 -0.05 0.00 0.00 -1.51 0.00 0.00 177.39 175.93 1rhg n ALA 72 N -3.00 0.00 -0.30 -1.18 0.00 -1.26 -3.30 120.51 111.48 1rhg n ALA 72 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1rhg n ALA 72 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1rhg n ALA 72 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rhg h GLY 73 N 0.00 1.30 0.65 0.00 0.00 -2.02 0.13 103.07 103.13 1rhg h GLY 73 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1rhg h GLY 73 CO 0.00 0.17 -0.34 0.00 0.00 0.00 0.00 176.54 176.37 1rhg h LEU 75 N -0.22 0.34 -0.25 0.00 3.38 -1.69 0.12 115.31 116.99 1rhg h LEU 75 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1rhg h LEU 75 Cb 1.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1rhg h LEU 75 CO 0.07 0.22 -0.55 0.28 0.09 0.00 0.00 178.44 178.55 1rhg h SER 76 N 0.39 0.92 -0.54 -0.43 0.02 -0.60 -1.78 113.55 111.54 1rhg h SER 76 Ca 0.21 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1rhg h SER 76 Cb 0.35 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1rhg h SER 76 CO -0.05 1.30 0.23 1.56 -1.14 0.00 0.00 176.83 178.73 1rhg h GLN 77 N 0.57 0.83 0.41 3.45 4.20 0.93 0.89 115.11 126.40 1rhg h GLN 77 Ca 0.00 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1rhg h GLN 77 Cb 1.17 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1rhg h GLN 77 CO 0.12 0.68 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.70 1rhg h LEU 78 N 0.82 -0.47 -1.22 1.46 3.38 -1.21 0.01 115.31 118.08 1rhg h LEU 78 Ca 0.20 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1rhg h LEU 78 Cb 0.16 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1rhg h LEU 78 CO -0.02 -0.29 0.58 -0.74 0.09 0.00 0.00 178.44 178.06 1rhg h HIS 79 N -0.61 0.90 -0.06 1.13 2.76 -0.98 0.23 115.15 118.52 1rhg h HIS 79 Ca -0.06 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1rhg h HIS 79 Cb 0.46 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1rhg h HIS 79 CO -0.03 0.35 -0.13 0.77 -1.30 0.00 0.00 177.93 177.58 1rhg h SER 80 N 0.77 0.22 -0.46 3.26 0.02 -0.69 -1.90 113.55 114.78 1rhg h SER 80 Ca 0.45 -0.58 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1rhg h SER 80 Cb 0.63 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.02 1rhg h SER 80 CO -0.21 0.76 -0.13 1.23 -1.14 0.00 0.00 176.83 177.33 1rhg h GLY 81 N -0.31 0.30 0.88 -3.77 0.00 -0.35 0.70 103.07 100.52 1rhg h GLY 81 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1rhg h GLY 81 CO 0.03 -0.18 0.49 1.41 0.00 0.00 0.00 176.54 178.29 1rhg h LEU 82 N -0.02 0.81 -0.55 3.11 3.38 -0.99 -0.19 115.31 120.86 1rhg h LEU 82 Ca 0.22 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1rhg h LEU 82 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1rhg h LEU 82 CO -0.48 0.56 -0.11 0.15 0.09 0.00 0.00 178.44 178.65 1rhg h PHE 83 N 0.96 1.16 0.16 1.13 3.57 -0.23 0.41 116.94 124.09 1rhg h PHE 83 Ca 0.31 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1rhg h PHE 83 Cb 0.01 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1rhg h PHE 83 CO -0.03 1.07 -0.08 1.25 -2.23 0.00 0.00 178.31 178.29 1rhg h LEU 84 N 0.91 -0.18 -1.76 0.59 6.46 -0.34 -2.52 115.31 118.48 1rhg h LEU 84 Ca 0.14 -0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1rhg h LEU 84 Cb 0.68 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1rhg h LEU 84 CO 0.05 -0.01 0.34 1.88 -0.62 0.00 0.00 178.44 180.08 1rhg h TYR 85 N -0.34 0.28 0.00 1.25 0.05 -0.75 0.30 116.97 117.76 1rhg h TYR 85 Ca -0.02 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1rhg h TYR 85 Cb 0.27 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1rhg h TYR 85 CO -0.03 0.14 -0.22 0.37 -1.05 0.00 0.00 178.16 177.37 1rhg h GLN 86 N 0.27 0.00 0.06 4.88 5.75 0.27 -2.60 115.11 123.73 1rhg h GLN 86 Ca 0.23 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1rhg h GLN 86 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1rhg h GLN 86 CO -0.05 0.22 -0.03 0.78 -2.65 0.00 0.00 178.83 177.10 1rhg h GLY 87 N 0.81 -0.08 1.59 2.39 0.00 -0.34 -2.19 103.07 105.25 1rhg h GLY 87 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1rhg h GLY 87 CO 0.03 -0.03 0.11 1.41 0.00 0.00 0.00 176.54 178.06 1rhg h LEU 88 N -0.62 0.48 -0.34 3.11 3.38 -1.27 -1.55 115.31 118.49 1rhg h LEU 88 Ca -0.01 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1rhg h LEU 88 Cb 0.53 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rhg h LEU 88 CO 0.01 0.47 -0.82 -0.07 0.09 0.00 0.00 178.44 178.11 1rhg h LEU 89 N 0.52 0.31 -0.81 1.67 3.38 -1.39 -2.85 115.31 116.14 1rhg h LEU 89 Ca 0.13 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1rhg h LEU 89 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1rhg h LEU 89 CO -0.01 1.00 -0.49 1.56 0.09 0.00 0.00 178.44 180.59 1rhg h GLN 90 N 0.15 0.25 0.00 1.13 4.20 -0.67 -3.14 115.11 117.02 1rhg h GLN 90 Ca -0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1rhg h GLN 90 Cb 1.43 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.22 1rhg h GLN 90 CO 0.13 0.69 -0.02 0.00 -0.67 0.00 0.00 178.83 178.96 1rhg h ALA 91 N 1.28 1.03 0.00 3.87 0.00 -1.08 -0.76 119.26 123.61 1rhg h ALA 91 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rhg h ALA 91 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rhg h ALA 91 CO 0.08 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1rhg n LEU 92 N -3.15 0.00 -3.88 0.00 4.77 -1.18 -4.12 117.00 109.43 1rhg n LEU 92 Ca -0.01 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 1rhg n LEU 92 Cb 0.23 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1rhg n LEU 92 CO 0.26 -0.01 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.56 1rhg n GLU 93 N -1.17 -0.62 0.00 3.23 4.71 -0.29 -0.59 120.64 125.91 1rhg n GLU 93 Ca 0.18 -0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1rhg n GLU 93 Cb 0.18 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1rhg n GLU 93 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rhg n GLY 94 N -1.68 2.74 5.00 0.62 0.00 -1.26 -4.65 105.19 105.96 1rhg n GLY 94 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.44 -0.61 5.41 0.24 -2.72 119.36 116.24 1rhg n ILE 95 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1rhg n ILE 95 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 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 -0.55 0.63 4.38 1.04 -1.26 -4.77 113.70 113.17 1rhg s SER 96 Ca 0.00 0.08 0.31 0.00 0.48 0.00 0.00 55.95 56.82 1rhg s SER 96 Cb 0.00 0.56 1.67 0.00 0.10 0.00 0.00 66.02 68.35 1rhg s SER 96 CO 0.00 -0.88 2.00 -0.65 0.98 0.00 0.00 173.24 174.69 1rhg h PRO 97 N 2.12 0.00 0.14 4.02 0.11 -1.97 0.16 132.00 136.59 1rhg h PRO 97 Ca -0.32 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.57 1rhg h PRO 97 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1rhg h PRO 97 CO 0.37 0.00 -1.07 0.93 -0.21 0.00 0.00 178.00 178.02 1rhg h GLU 98 N 0.00 0.30 0.00 1.05 3.07 -1.96 -3.34 114.58 113.70 1rhg h GLU 98 Ca 0.07 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1rhg h GLU 98 Cb 0.69 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1rhg h GLU 98 CO -0.00 1.25 -0.16 -0.07 -1.40 0.00 0.00 179.01 178.63 1rhg h LEU 99 N -0.31 0.00 0.00 1.33 3.38 -1.55 -3.40 115.31 114.75 1rhg h LEU 99 Ca -0.21 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1rhg h LEU 99 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1rhg h LEU 99 CO 0.13 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1rhg n GLY 100 N 1.29 -2.57 0.34 0.83 0.00 -0.04 -0.51 105.19 104.53 1rhg n GLY 100 Ca 0.05 0.50 0.17 0.00 0.00 0.00 0.00 46.02 46.73 1rhg n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rhg h PRO 101 N 0.00 0.00 -0.67 1.61 0.13 -1.85 -0.46 132.00 130.76 1rhg h PRO 101 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1rhg h PRO 101 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1rhg h PRO 101 CO 0.00 0.00 0.13 1.15 -0.23 0.00 0.00 178.00 179.05 1rhg h THR 102 N 0.00 1.26 -0.04 1.56 2.02 -1.05 -2.49 112.91 114.17 1rhg h THR 102 Ca 0.11 -1.01 -0.20 0.00 0.77 0.00 0.00 66.41 66.07 1rhg h THR 102 Cb 0.55 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1rhg h THR 102 CO -0.00 0.38 -0.83 -0.07 0.37 0.00 0.00 175.52 175.37 1rhg h LEU 103 N 1.02 0.50 -1.44 2.58 3.38 -0.33 -2.53 115.31 118.49 1rhg h LEU 103 Ca 0.21 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1rhg h LEU 103 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rhg h LEU 103 CO 0.01 1.13 0.10 0.44 0.09 0.00 0.00 178.44 180.21 1rhg h ASP 104 N 0.25 0.43 -0.16 -0.43 3.32 -0.87 -1.45 116.42 117.51 1rhg h ASP 104 Ca -0.05 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1rhg h ASP 104 Cb 1.43 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1rhg h ASP 104 CO 0.14 0.42 -0.32 0.74 -1.72 0.00 0.00 179.24 178.50 1rhg h THR 105 N 0.47 1.35 -0.70 0.35 2.02 -1.44 -3.02 112.91 111.95 1rhg h THR 105 Ca 0.11 -1.57 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 1rhg h THR 105 Cb 0.15 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1rhg h THR 105 CO -0.01 0.47 0.22 0.25 0.37 0.00 0.00 175.52 176.83 1rhg h LEU 106 N 0.13 1.02 -0.42 2.58 5.85 -0.95 -1.56 115.31 121.97 1rhg h LEU 106 Ca 0.00 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1rhg h LEU 106 Cb 0.92 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1rhg h LEU 106 CO 0.07 0.96 0.25 1.56 -0.34 0.00 0.00 178.44 180.94 1rhg h GLN 107 N 1.03 0.50 -0.72 1.25 4.20 -1.37 -1.24 115.11 118.76 1rhg h GLN 107 Ca 0.23 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 1rhg h GLN 107 Cb 0.30 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1rhg h GLN 107 CO -0.01 0.33 0.22 -0.07 -0.67 0.00 0.00 178.83 178.63 1rhg h LEU 108 N 0.51 1.04 -0.02 1.46 3.38 -1.44 -0.04 115.31 120.21 1rhg h LEU 108 Ca 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rhg h LEU 108 Cb -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1rhg h LEU 108 CO -0.07 0.97 -0.01 0.44 0.09 0.00 0.00 178.44 179.87 1rhg h ASP 109 N 1.07 0.03 -0.65 -0.43 3.32 -1.13 -2.15 116.42 116.49 1rhg h ASP 109 Ca 0.23 -0.39 0.12 0.00 0.02 0.00 0.00 57.03 57.01 1rhg h ASP 109 Cb 0.30 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 1rhg h ASP 109 CO -0.01 0.42 0.20 0.58 -1.72 0.00 0.00 179.24 178.71 1rhg h VAL 110 N -0.35 0.67 0.00 -1.35 2.07 -1.21 -1.83 116.25 114.24 1rhg h VAL 110 Ca 0.00 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1rhg h VAL 110 Cb 0.41 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1rhg h VAL 110 CO 0.00 0.06 -0.12 0.00 0.02 0.00 0.00 177.57 177.53 1rhg h ALA 111 N 1.49 1.58 0.11 1.67 0.00 -0.88 -1.41 119.26 121.82 1rhg h ALA 111 Ca 0.34 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.86 1rhg h ALA 111 Cb 0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rhg h ALA 111 CO -0.39 0.16 -1.32 -0.44 0.00 0.00 0.00 179.25 177.26 1rhg h ASP 112 N 0.00 0.35 -0.16 0.00 3.32 -0.70 -2.71 116.42 116.53 1rhg h ASP 112 Ca -0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1rhg h ASP 112 Cb 0.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1rhg h ASP 112 CO 0.02 1.34 0.01 0.15 -1.72 0.00 0.00 179.24 179.03 1rhg h PHE 113 N 0.06 0.29 -0.78 4.55 3.57 -0.51 -1.88 116.94 122.24 1rhg h PHE 113 Ca -0.16 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 1rhg h PHE 113 Cb 1.97 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 40.59 1rhg h PHE 113 CO 0.05 0.46 0.33 0.00 -2.23 0.00 0.00 178.31 176.93 1rhg h ALA 114 N 0.79 1.11 -0.80 2.41 0.00 -1.37 0.93 119.26 122.32 1rhg h ALA 114 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1rhg h ALA 114 Cb 0.34 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1rhg h ALA 114 CO 0.01 0.65 0.53 1.15 0.00 0.00 0.00 179.25 181.58 1rhg h THR 115 N 1.13 1.13 -0.17 0.00 2.02 -1.46 0.45 112.91 116.01 1rhg h THR 115 Ca 0.26 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1rhg h THR 115 Cb 0.18 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1rhg h THR 115 CO -0.03 0.18 -0.01 0.74 0.37 0.00 0.00 175.52 176.77 1rhg h THR 116 N 0.99 1.27 -0.27 3.16 2.02 0.01 -0.41 112.91 119.67 1rhg h THR 116 Ca 0.32 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1rhg h THR 116 Cb 0.04 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1rhg h THR 116 CO -0.09 0.27 0.17 0.40 0.37 0.00 0.00 175.52 176.64 1rhg h ILE 117 N 0.05 1.05 0.10 3.11 1.08 -1.20 -1.51 117.51 120.19 1rhg h ILE 117 Ca 0.05 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.41 1rhg h ILE 117 Cb 0.42 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1rhg h ILE 117 CO 0.01 0.06 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.13 1rhg h TRP 118 N 0.34 -0.39 -0.79 1.37 7.01 -0.63 -0.59 115.95 122.28 1rhg h TRP 118 Ca 0.10 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.16 1rhg h TRP 118 Cb -0.02 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 1rhg h TRP 118 CO -0.07 -0.23 0.52 1.96 -2.79 0.00 0.00 178.44 177.83 1rhg h GLN 119 N -0.30 0.89 -0.13 2.65 4.20 -0.95 -1.65 115.11 119.82 1rhg h GLN 119 Ca 0.02 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 1rhg h GLN 119 Cb 0.31 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1rhg h GLN 119 CO -0.08 0.59 -0.76 0.37 -0.67 0.00 0.00 178.83 178.28 1rhg h GLN 120 N 0.91 0.66 0.00 1.46 5.75 -0.76 -2.66 115.11 120.47 1rhg h GLN 120 Ca 0.32 -0.54 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1rhg h GLN 120 Cb 0.13 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1rhg h GLN 120 CO -0.10 1.16 -0.11 0.52 -2.65 0.00 0.00 178.83 177.64 1rhg h MET 121 N 0.45 0.00 0.82 1.69 2.86 -0.42 -1.68 114.93 118.65 1rhg h MET 121 Ca -0.04 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1rhg h MET 121 Cb 1.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.04 1rhg h MET 121 CO 0.15 0.11 -0.39 0.93 1.06 0.00 0.00 176.91 178.77 1rhg h GLU 122 N 0.00 -1.06 -0.43 1.72 4.39 -1.09 0.90 114.58 119.01 1rhg h GLU 122 Ca -0.00 0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.86 1rhg h GLU 122 Cb 0.22 0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 29.02 1rhg h GLU 122 CO 0.01 -0.69 -0.28 0.93 -1.16 0.00 0.00 179.01 177.82 1rhg h GLU 123 N -1.23 -0.18 0.00 2.33 3.07 -1.19 0.23 114.58 117.61 1rhg h GLU 123 Ca -0.11 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1rhg h GLU 123 Cb 0.85 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1rhg h GLU 123 CO 0.18 -0.12 0.00 1.47 -1.40 0.00 0.00 179.01 179.14 1rhg n LEU 124 N -5.41 0.00 0.00 1.33 -0.00 -0.66 -4.84 117.00 107.42 1rhg n LEU 124 Ca 0.02 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1rhg n LEU 124 Cb 0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1rhg n LEU 124 CO 0.08 -0.09 0.00 0.61 -0.00 0.00 0.00 177.39 177.98 1rhg n GLY 125 N -0.35 1.31 0.00 1.47 0.00 0.80 -5.06 105.19 103.37 1rhg n GLY 125 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 3.65 -3.52 1.61 2.81 0.27 -4.93 117.12 115.01 1rhg n MET 126 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1rhg n MET 126 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1rhg n MET 126 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1rhg s MET 137 N 0.00 0.79 0.56 0.03 1.75 -1.26 -4.96 119.30 116.21 1rhg s MET 137 Ca 0.00 -0.18 -0.19 0.00 -1.25 0.00 0.00 55.69 54.06 1rhg s MET 137 Cb 0.00 0.37 -0.07 0.00 2.84 0.00 0.00 34.83 37.97 1rhg s MET 137 CO 0.00 -0.32 0.90 -2.30 -0.65 0.00 0.00 175.02 172.64 1rhg n PRO 138 N 0.01 0.92 -4.48 4.11 -0.02 -1.26 -5.03 135.00 129.26 1rhg n PRO 138 Ca -0.10 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 1rhg n PRO 138 Cb 0.61 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1rhg n PRO 138 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rhg s ALA 139 N -1.50 2.07 -0.47 3.55 0.00 -1.26 -4.93 121.76 119.21 1rhg s ALA 139 Ca 0.72 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1rhg s ALA 139 Cb -0.45 -0.34 0.12 0.00 0.00 0.00 0.00 23.12 22.45 1rhg s ALA 139 CO 0.50 0.46 0.22 -0.06 0.00 0.00 0.00 175.76 176.88 1rhg s PHE 140 N -1.01 3.46 0.07 0.00 0.08 -1.26 -4.96 117.98 114.36 1rhg s PHE 140 Ca 0.10 -2.93 -0.32 0.00 0.12 0.00 0.00 56.93 53.90 1rhg s PHE 140 Cb -0.10 -2.99 -0.19 0.00 -0.57 0.00 0.00 43.02 39.18 1rhg s PHE 140 CO 0.04 -0.86 1.63 0.00 -0.10 0.00 0.00 175.22 175.94 1rhg h ALA 141 N 7.16 -0.86 -1.09 5.36 0.00 -1.93 -3.43 119.26 124.46 1rhg h ALA 141 Ca -0.06 -0.19 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 1rhg h ALA 141 Cb 0.96 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1rhg h ALA 141 CO 0.65 -0.99 -0.43 -1.54 0.00 0.00 0.00 179.25 176.94 1rhg s SER 142 N -4.43 4.50 0.20 0.00 1.04 -1.26 -4.94 113.70 108.81 1rhg s SER 142 Ca -0.17 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 54.96 1rhg s SER 142 Cb 0.03 -0.06 0.17 0.00 0.10 0.00 0.00 66.02 66.26 1rhg s SER 142 CO 0.62 -0.78 1.84 0.00 0.98 0.00 0.00 173.24 175.90 1rhg h ALA 143 N 1.17 0.85 -0.50 5.32 0.00 -1.93 0.22 119.26 124.38 1rhg h ALA 143 Ca -0.41 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1rhg h ALA 143 Cb 1.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1rhg h ALA 143 CO 0.65 0.16 0.34 0.35 0.00 0.00 0.00 179.25 180.75 1rhg h PHE 144 N 0.79 0.53 -0.00 0.00 3.57 -1.97 -1.02 116.94 118.84 1rhg h PHE 144 Ca 0.27 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.61 1rhg h PHE 144 Cb 0.03 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1rhg h PHE 144 CO -0.05 0.31 -0.78 1.96 -2.23 0.00 0.00 178.31 177.52 1rhg h GLN 145 N 0.55 0.07 0.12 1.11 4.20 -0.98 -2.27 115.11 117.91 1rhg h GLN 145 Ca 0.21 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1rhg h GLN 145 Cb 0.14 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1rhg h GLN 145 CO -0.05 0.81 -0.06 0.00 -0.67 0.00 0.00 178.83 178.86 1rhg h ARG 146 N 0.04 -0.16 0.25 1.46 -0.00 -0.81 -0.05 114.38 115.11 1rhg h ARG 146 Ca -0.02 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1rhg h ARG 146 Cb 1.37 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 31.35 1rhg h ARG 146 CO 0.11 0.18 -0.37 0.00 0.00 0.00 0.00 179.97 179.88 1rhg h ARG 147 N -0.52 -0.63 -0.32 0.04 3.08 -1.22 0.97 114.38 115.78 1rhg h ARG 147 Ca -0.02 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1rhg h ARG 147 Cb 0.41 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1rhg h ARG 147 CO 0.03 -0.42 0.22 0.00 -1.07 0.00 0.00 179.97 178.72 1rhg h ALA 148 N -1.01 1.85 -0.37 0.04 0.00 -1.51 -0.64 119.26 117.62 1rhg h ALA 148 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1rhg h ALA 148 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1rhg h ALA 148 CO -0.11 0.11 0.02 0.78 0.00 0.00 0.00 179.25 180.05 1rhg h GLY 149 N 0.36 0.70 1.51 0.00 0.00 -0.54 -2.00 103.07 103.10 1rhg h GLY 149 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1rhg h GLY 149 CO -0.03 0.46 0.33 -1.33 0.00 0.00 0.00 176.54 175.97 1rhg h GLY 150 N 0.47 0.70 0.73 4.60 0.00 0.70 -0.47 103.07 109.81 1rhg h GLY 150 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1rhg h GLY 150 CO 0.02 0.26 -0.19 -2.08 0.00 0.00 0.00 176.54 174.54 1rhg h VAL 151 N 0.68 0.57 -0.31 4.60 2.07 -0.75 -2.20 116.25 120.90 1rhg h VAL 151 Ca 0.18 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1rhg h VAL 151 Cb -0.08 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1rhg h VAL 151 CO -0.04 0.08 -0.24 -0.07 0.02 0.00 0.00 177.57 177.32 1rhg h LEU 152 N -0.81 0.61 -0.16 2.57 3.38 -0.68 -1.68 115.31 118.55 1rhg h LEU 152 Ca -0.05 -0.21 -0.20 0.00 0.09 0.00 0.00 57.88 57.50 1rhg h LEU 152 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1rhg h LEU 152 CO 0.09 0.84 -0.95 1.62 0.09 0.00 0.00 178.44 180.13 1rhg h VAL 153 N 0.54 1.60 -0.41 1.22 3.04 -1.15 -0.90 116.25 120.19 1rhg h VAL 153 Ca 0.08 -3.01 -0.07 0.00 -1.01 0.00 0.00 66.70 62.69 1rhg h VAL 153 Cb 0.70 2.67 -0.02 0.00 -2.01 0.00 0.00 31.29 32.63 1rhg h VAL 153 CO 0.05 0.87 -0.05 0.00 -1.01 0.00 0.00 177.57 177.42 1rhg h ALA 154 N 0.99 1.15 -0.38 3.17 0.00 -1.11 0.10 119.26 123.18 1rhg h ALA 154 Ca -0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1rhg h ALA 154 Cb 1.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1rhg h ALA 154 CO 0.13 0.54 -0.10 1.03 0.00 0.00 0.00 179.25 180.85 1rhg h SER 155 N 0.64 0.74 0.58 0.00 0.87 -1.24 -1.60 113.55 113.54 1rhg h SER 155 Ca 0.12 -0.37 -0.17 0.00 -1.23 0.00 0.00 61.79 60.14 1rhg h SER 155 Cb 0.48 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1rhg h SER 155 CO 0.02 0.94 -0.75 0.45 -0.53 0.00 0.00 176.83 176.96 1rhg h HIS 156 N 0.53 0.19 -0.17 2.24 3.86 0.15 -3.04 115.15 118.91 1rhg h HIS 156 Ca 0.09 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1rhg h HIS 156 Cb 0.62 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1rhg h HIS 156 CO 0.05 0.83 -0.39 1.25 0.86 0.00 0.00 177.93 180.54 1rhg h LEU 157 N 0.08 0.38 0.32 2.43 5.85 -0.81 -0.89 115.31 122.67 1rhg h LEU 157 Ca -0.02 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1rhg h LEU 157 Cb 1.33 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1rhg h LEU 157 CO 0.11 0.74 -0.27 -0.61 -0.34 0.00 0.00 178.44 178.07 1rhg h GLN 158 N 0.31 -0.57 -0.64 1.25 5.75 -1.17 -1.79 115.11 118.24 1rhg h GLN 158 Ca 0.03 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1rhg h GLN 158 Cb 0.82 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 1rhg h GLN 158 CO 0.07 -0.38 0.26 0.77 -2.65 0.00 0.00 178.83 176.89 1rhg h SER 159 N -0.60 0.89 -0.73 -0.69 0.02 -1.51 -1.17 113.55 109.75 1rhg h SER 159 Ca -0.02 -0.17 0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1rhg h SER 159 Cb 0.53 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.75 1rhg h SER 159 CO -0.02 0.81 0.30 0.15 -1.14 0.00 0.00 176.83 176.93 1rhg h PHE 160 N 0.90 0.52 0.00 3.45 3.57 -1.11 -0.88 116.94 123.40 1rhg h PHE 160 Ca 0.21 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 1rhg h PHE 160 Cb 0.20 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1rhg h PHE 160 CO 0.01 0.09 -0.76 -0.07 -2.23 0.00 0.00 178.31 175.35 1rhg h LEU 161 N 0.47 0.00 0.14 0.59 3.38 -1.01 -1.56 115.31 117.32 1rhg h LEU 161 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1rhg h LEU 161 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1rhg h LEU 161 CO -0.37 0.76 -0.07 -0.33 0.09 0.00 0.00 178.44 178.52 1rhg h GLU 162 N 0.00 -0.19 -0.77 1.13 5.08 0.06 0.20 114.58 120.09 1rhg h GLU 162 Ca -0.01 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1rhg h GLU 162 Cb 1.43 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.67 1rhg h GLU 162 CO 0.10 0.13 0.51 0.28 -1.00 0.00 0.00 179.01 179.02 1rhg h VAL 163 N -0.51 0.88 -0.20 3.13 2.07 -1.20 1.08 116.25 121.50 1rhg h VAL 163 Ca -0.02 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1rhg h VAL 163 Cb 0.40 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1rhg h VAL 163 CO 0.03 0.11 -0.33 -1.28 0.02 0.00 0.00 177.57 176.12 1rhg h SER 164 N 0.59 0.42 -0.20 0.57 0.87 -0.84 -0.29 113.55 114.67 1rhg h SER 164 Ca 0.37 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1rhg h SER 164 Cb 0.62 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1rhg h SER 164 CO -0.14 0.73 -0.30 0.22 -0.53 0.00 0.00 176.83 176.81 1rhg h TYR 165 N 0.35 0.81 -0.23 2.24 3.20 0.43 -2.14 116.97 121.63 1rhg h TYR 165 Ca 0.04 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 1rhg h TYR 165 Cb 0.75 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1rhg h TYR 165 CO 0.02 0.92 0.02 0.00 -1.64 0.00 0.00 178.16 177.48 1rhg h ARG 166 N 0.59 0.39 0.00 1.82 2.47 -0.34 -3.00 114.38 116.31 1rhg h ARG 166 Ca 0.07 -0.11 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 1rhg h ARG 166 Cb 0.81 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1rhg h ARG 166 CO 0.07 0.54 -0.48 -0.24 0.56 0.00 0.00 179.97 180.42 1rhg h VAL 167 N 0.18 0.97 -0.18 2.04 3.04 -1.13 -2.38 116.25 118.79 1rhg h VAL 167 Ca 0.07 -1.96 -0.02 0.00 -1.01 0.00 0.00 66.70 63.78 1rhg h VAL 167 Cb 0.35 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 1rhg h VAL 167 CO 0.01 0.47 0.05 -0.07 -1.01 0.00 0.00 177.57 177.02 1rhg h LEU 168 N 0.00 0.27 -0.77 3.16 3.38 -1.41 0.24 115.31 120.17 1rhg h LEU 168 Ca -0.00 -0.22 0.17 0.00 0.09 0.00 0.00 57.88 57.91 1rhg h LEU 168 Cb 1.16 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1rhg h LEU 168 CO 0.06 0.42 -0.09 -0.09 0.09 0.00 0.00 178.44 178.83 1rhg h ARG 169 N 0.10 0.04 -0.02 1.13 2.43 -1.45 -0.99 114.38 115.62 1rhg h ARG 169 Ca 0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1rhg h ARG 169 Cb 0.26 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1rhg h ARG 169 CO 0.00 0.03 -0.01 0.45 -1.51 0.00 0.00 179.97 178.93 1rhg h HIS 170 N 0.04 0.04 0.00 2.20 3.86 -0.88 -2.90 115.15 117.51 1rhg h HIS 170 Ca 0.40 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 1rhg h HIS 170 Cb 0.67 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1rhg h HIS 170 CO -0.52 0.41 0.00 1.28 0.86 0.00 0.00 177.93 179.96 1rhg n LEU 171 N -4.87 0.01 0.00 2.43 4.32 0.78 -5.09 117.00 114.58 1rhg n LEU 171 Ca -0.08 -0.01 0.10 0.00 -0.02 0.00 0.00 56.01 56.01 1rhg n LEU 171 Cb 0.21 -0.01 0.60 0.00 -1.62 0.00 0.00 43.42 42.60 1rhg n LEU 171 CO 0.34 0.00 0.79 0.00 -1.22 0.00 0.00 177.39 177.30