#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg6 h THR 6 N 0.00 1.26 -3.71 0.52 2.02 -2.06 -3.38 112.91 107.55 1rg6 h THR 6 Ca 0.00 -0.54 -0.66 0.00 0.77 0.00 0.00 66.41 65.97 1rg6 h THR 6 Cb 0.00 -0.11 -0.21 0.00 -1.74 0.00 0.00 68.15 66.09 1rg6 h THR 6 CO 0.00 0.27 -0.55 -0.62 0.37 0.00 0.00 175.52 174.99 1rg6 s ASP 7 N -6.17 5.64 -0.22 4.18 -1.08 -1.26 -4.96 116.67 112.81 1rg6 s ASP 7 Ca -0.13 -0.34 0.14 0.00 -0.52 0.00 0.00 52.55 51.71 1rg6 s ASP 7 Cb 0.17 -2.03 0.56 0.00 -1.46 0.00 0.00 42.92 40.16 1rg6 s ASP 7 CO 0.82 -0.14 1.49 0.00 0.52 0.00 0.00 175.17 177.86 1rg6 n SER 9 N -0.59 -0.94 -0.07 0.00 7.64 -1.26 -4.17 113.62 114.22 1rg6 n SER 9 Ca 0.27 -0.05 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 1rg6 n SER 9 Cb 0.99 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 64.21 1rg6 n SER 9 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1rg6 h ILE 10 N -1.43 1.28 0.23 0.44 2.04 0.26 -3.12 117.51 117.21 1rg6 h ILE 10 Ca 0.00 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.27 1rg6 h ILE 10 Cb 0.00 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1rg6 h ILE 10 CO 0.00 0.52 -0.38 0.58 0.00 0.00 0.00 178.15 178.87 1rg6 h VAL 11 N 0.65 0.23 -1.00 1.67 2.07 -1.91 -1.98 116.25 115.97 1rg6 h VAL 11 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1rg6 h VAL 11 Cb 0.98 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1rg6 h VAL 11 CO 0.09 0.00 0.67 0.28 0.02 0.00 0.00 177.57 178.63 1rg6 h SER 12 N -0.68 1.15 -0.67 0.57 0.02 -1.85 -2.72 113.55 109.37 1rg6 h SER 12 Ca 0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1rg6 h SER 12 Cb 0.66 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1rg6 h SER 12 CO -0.16 0.84 0.44 0.15 -1.14 0.00 0.00 176.83 176.97 1rg6 h PHE 13 N 1.36 0.84 -0.57 3.45 3.57 -1.41 -2.44 116.94 121.74 1rg6 h PHE 13 Ca 0.37 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.78 1rg6 h PHE 13 Cb -0.16 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.28 1rg6 h PHE 13 CO -0.00 0.53 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.46 1rg6 h LEU 14 N 0.91 1.05 -0.39 0.59 3.38 -1.13 -2.96 115.31 116.77 1rg6 h LEU 14 Ca 0.25 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rg6 h LEU 14 Cb -0.10 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 1rg6 h LEU 14 CO -0.06 1.14 0.25 0.00 0.09 0.00 0.00 178.44 179.87 1rg6 h ALA 15 N 0.95 0.49 0.00 1.53 0.00 -1.22 1.09 119.26 122.10 1rg6 h ALA 15 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rg6 h ALA 15 Cb 0.65 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rg6 h ALA 15 CO 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 179.25 179.22 1rg6 h ARG 16 N 0.52 0.00 -0.68 0.00 3.08 -1.36 -1.05 114.38 114.89 1rg6 h ARG 16 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1rg6 h ARG 16 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1rg6 h ARG 16 CO -0.03 0.02 0.00 -0.11 -1.07 0.00 0.00 179.97 178.77 1rg6 n LEU 17 N -4.22 4.64 -1.37 3.04 7.94 -0.70 -4.91 117.00 121.42 1rg6 n LEU 17 Ca -0.03 -2.34 -0.12 0.00 -1.11 0.00 0.00 56.01 52.41 1rg6 n LEU 17 Cb 0.10 -0.57 -0.01 0.00 0.53 0.00 0.00 43.42 43.47 1rg6 n LEU 17 CO 0.31 0.84 -0.15 0.61 -1.11 0.00 0.00 177.39 177.89 1rg6 n GLY 18 N 1.25 -0.06 3.43 -3.96 0.00 -0.40 -5.01 105.19 100.45 1rg6 n GLY 18 Ca 0.26 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1rg6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg6 n SER 20 N 1.13 0.00 0.33 0.00 3.41 -1.26 -2.67 113.62 114.55 1rg6 n SER 20 Ca -0.17 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.65 1rg6 n SER 20 Cb 0.53 0.00 1.12 0.00 -0.26 0.00 0.00 64.21 65.59 1rg6 n SER 20 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1rg6 h SER 21 N 0.00 0.00 -0.02 4.04 4.64 -1.98 0.21 113.55 120.44 1rg6 h SER 21 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rg6 h SER 21 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rg6 h SER 21 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1rg6 h LEU 23 N 2.77 1.09 -1.27 0.00 5.85 -1.32 -2.79 115.31 119.65 1rg6 h LEU 23 Ca 0.00 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1rg6 h LEU 23 Cb 0.59 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1rg6 h LEU 23 CO 0.00 0.79 0.56 0.44 -0.34 0.00 0.00 178.44 179.89 1rg6 h ASP 24 N 1.29 0.71 -0.77 1.25 3.32 -1.77 -1.91 116.42 118.55 1rg6 h ASP 24 Ca 0.35 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1rg6 h ASP 24 Cb -0.15 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1rg6 h ASP 24 CO -0.08 0.40 0.42 1.88 -1.72 0.00 0.00 179.24 180.15 1rg6 h TYR 25 N 0.78 1.05 -0.68 4.55 0.05 -1.79 -0.18 116.97 120.75 1rg6 h TYR 25 Ca 0.41 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 59.09 1rg6 h TYR 25 Cb 0.52 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1rg6 h TYR 25 CO -0.00 0.73 0.11 0.74 -1.05 0.00 0.00 178.16 178.69 1rg6 h PHE 26 N 1.06 1.19 -0.44 4.88 0.04 -1.44 -2.74 116.94 119.48 1rg6 h PHE 26 Ca 0.27 -0.17 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 1rg6 h PHE 26 Cb 0.03 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1rg6 h PHE 26 CO 0.00 0.99 -0.30 1.79 -0.60 0.00 0.00 178.31 180.20 1rg6 h THR 27 N 1.04 1.27 0.00 -1.55 1.35 -1.08 -1.42 112.91 112.53 1rg6 h THR 27 Ca 0.21 -1.47 -0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1rg6 h THR 27 Cb 0.45 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1rg6 h THR 27 CO 0.01 0.50 -0.01 0.74 -0.25 0.00 0.00 175.52 176.51 1rg6 h THR 28 N 0.82 0.06 -0.02 6.82 2.02 -0.88 -2.76 112.91 118.97 1rg6 h THR 28 Ca 0.09 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1rg6 h THR 28 Cb 0.89 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1rg6 h THR 28 CO 0.08 0.01 -0.46 0.00 0.37 0.00 0.00 175.52 175.52 1rg6 n GLN 29 N -3.14 1.22 -0.57 6.66 1.13 -1.05 -4.95 117.38 116.67 1rg6 n GLN 29 Ca -0.01 -1.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.05 1rg6 n GLN 29 Cb 0.20 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1rg6 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rg6 n GLY 30 N 1.42 0.74 3.54 1.08 0.00 -1.04 -5.03 105.19 105.89 1rg6 n GLY 30 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1rg6 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg6 s LEU 31 N 0.00 3.94 0.00 0.99 1.43 -0.56 -4.93 118.68 119.56 1rg6 s LEU 31 Ca 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1rg6 s LEU 31 Cb 0.00 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1rg6 s LEU 31 CO 0.00 -0.07 0.00 0.35 0.23 0.00 0.00 176.35 176.86 1rg6 n THR 32 N 5.03 0.00 -4.15 5.49 -2.24 -1.26 -3.79 114.28 113.36 1rg6 n THR 32 Ca -0.14 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 1rg6 n THR 32 Cb 0.51 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 1rg6 n THR 32 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rg6 s THR 33 N -1.65 4.26 0.29 4.28 2.01 -1.26 0.89 115.64 124.47 1rg6 s THR 33 Ca 0.00 -1.49 0.08 0.00 0.31 0.00 0.00 61.69 60.59 1rg6 s THR 33 Cb 0.00 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.23 1rg6 s THR 33 CO 0.00 -0.35 1.68 0.40 -0.69 0.00 0.00 174.62 175.66 1rg6 h ILE 34 N 1.58 1.34 -0.12 1.82 2.04 -1.77 -2.97 117.51 119.43 1rg6 h ILE 34 Ca -0.48 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 63.74 1rg6 h ILE 34 Cb 1.24 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1rg6 h ILE 34 CO 0.61 0.49 0.11 1.88 0.00 0.00 0.00 178.15 181.24 1rg6 h TYR 35 N 0.12 0.00 -0.16 1.37 0.05 -1.95 0.44 116.97 116.84 1rg6 h TYR 35 Ca 0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1rg6 h TYR 35 Cb 0.89 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 1rg6 h TYR 35 CO 0.01 0.00 -0.46 1.96 -1.05 0.00 0.00 178.16 178.62 1rg6 h GLN 36 N 0.00 0.40 -0.75 4.88 1.08 -1.94 -3.06 115.11 115.73 1rg6 h GLN 36 Ca 0.06 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1rg6 h GLN 36 Cb 0.28 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1rg6 h GLN 36 CO -0.00 0.79 0.00 0.44 -0.95 0.00 0.00 178.83 179.11 1rg6 n ILE 37 N -3.99 1.00 -0.09 2.54 -5.35 0.02 -4.46 119.36 109.03 1rg6 n ILE 37 Ca -0.02 -1.00 0.03 0.00 -0.27 0.00 0.00 62.75 61.49 1rg6 n ILE 37 Cb 0.54 0.50 0.35 0.00 -1.74 0.00 0.00 39.64 39.29 1rg6 n ILE 37 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1rg6 h GLU 38 N 4.36 0.72 0.00 6.28 4.39 -1.10 -2.54 114.58 126.69 1rg6 h GLU 38 Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1rg6 h GLU 38 Cb 1.00 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1rg6 h GLU 38 CO 0.00 0.48 -1.53 0.72 -1.16 0.00 0.00 179.01 177.52 1rg6 n HIS 39 N -4.45 0.55 -1.79 4.33 8.25 -1.26 -4.92 115.22 115.93 1rg6 n HIS 39 Ca 0.05 0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 1rg6 n HIS 39 Cb 0.05 -0.81 -0.02 0.00 1.12 0.00 0.00 29.99 30.33 1rg6 n HIS 39 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rg6 s TYR 40 N -3.30 2.80 0.08 4.41 1.51 -0.96 -5.00 117.35 116.89 1rg6 s TYR 40 Ca -0.04 0.71 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 1rg6 s TYR 40 Cb 0.11 -4.07 0.01 0.00 -0.11 0.00 0.00 41.96 37.91 1rg6 s TYR 40 CO 0.84 -3.67 0.11 -1.13 -1.11 0.00 0.00 175.55 170.59 1rg6 n SER 41 N 2.55 0.26 -0.33 2.29 3.41 -1.26 -4.89 113.62 115.65 1rg6 n SER 41 Ca 0.10 -1.19 -0.04 0.00 -0.26 0.00 0.00 58.87 57.48 1rg6 n SER 41 Cb 0.37 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.35 1rg6 n SER 41 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1rg6 h MET 42 N 0.00 1.25 -0.55 4.33 2.86 -1.94 -2.11 114.93 118.76 1rg6 h MET 42 Ca -0.04 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1rg6 h MET 42 Cb 0.16 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1rg6 h MET 42 CO 0.05 0.92 -0.10 -0.44 1.06 0.00 0.00 176.91 178.40 1rg6 h ASP 43 N 1.26 1.05 -0.24 1.22 3.32 -1.98 -2.97 116.42 118.07 1rg6 h ASP 43 Ca 0.31 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1rg6 h ASP 43 Cb 0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1rg6 h ASP 43 CO -0.05 1.15 -0.02 0.44 -1.72 0.00 0.00 179.24 179.04 1rg6 h ASP 44 N 0.93 0.53 0.66 6.45 3.32 -1.82 -2.57 116.42 123.91 1rg6 h ASP 44 Ca 0.15 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1rg6 h ASP 44 Cb 0.67 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1rg6 h ASP 44 CO 0.05 0.61 -0.32 0.25 -1.72 0.00 0.00 179.24 178.11 1rg6 h LEU 45 N 0.53 0.00 -0.64 1.55 5.85 -1.24 -3.14 115.31 118.23 1rg6 h LEU 45 Ca 0.11 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1rg6 h LEU 45 Cb 0.37 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1rg6 h LEU 45 CO 0.01 0.32 0.37 0.00 -0.34 0.00 0.00 178.44 178.80 1rg6 h ALA 46 N 1.68 0.85 -0.14 1.25 0.00 -1.36 -0.23 119.26 121.31 1rg6 h ALA 46 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rg6 h ALA 46 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rg6 h ALA 46 CO 0.04 0.07 0.31 1.03 0.00 0.00 0.00 179.25 180.70 1rg6 h SER 47 N 0.69 0.00 0.00 0.00 0.87 -1.66 0.13 113.55 113.58 1rg6 h SER 47 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1rg6 h SER 47 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1rg6 h SER 47 CO -0.15 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.04 1rg6 n LEU 48 N -3.29 0.00 0.00 2.23 0.00 -0.10 -4.83 117.00 111.02 1rg6 n LEU 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.02 1rg6 n LEU 48 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.83 1rg6 n LEU 48 CO 0.20 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.88 1rg6 n LYS 49 N -0.85 -0.33 -2.70 1.96 5.02 0.03 -4.80 118.16 116.48 1rg6 n LYS 49 Ca 0.10 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 1rg6 n LYS 49 Cb 0.05 -3.33 -0.06 0.00 -0.02 0.00 0.00 35.03 31.67 1rg6 n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rg6 s ILE 50 N -2.22 4.05 1.06 -0.18 1.01 -1.25 -5.04 121.20 118.62 1rg6 s ILE 50 Ca 0.00 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.17 1rg6 s ILE 50 Cb 0.00 -3.91 0.22 0.00 0.01 0.00 0.00 42.46 38.78 1rg6 s ILE 50 CO 0.00 0.10 1.11 -2.16 0.00 0.00 0.00 174.94 173.99 1rg6 s PRO 51 N -2.18 -0.04 0.28 2.79 0.04 -1.26 -4.78 135.00 129.86 1rg6 s PRO 51 Ca 0.52 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.93 1rg6 s PRO 51 Cb -0.20 -1.70 0.42 0.00 0.04 0.00 0.00 34.50 33.06 1rg6 s PRO 51 CO 0.25 -3.00 1.67 1.49 0.04 0.00 0.00 177.00 177.45 1rg6 h GLU 52 N -2.08 0.18 -0.00 4.56 4.81 -2.00 -2.81 114.58 117.24 1rg6 h GLU 52 Ca -0.52 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1rg6 h GLU 52 Cb 1.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1rg6 h GLU 52 CO 0.51 0.63 0.01 0.37 -0.73 0.00 0.00 179.01 179.80 1rg6 h GLN 53 N 0.15 0.00 0.00 1.92 4.15 -2.02 -0.71 115.11 118.59 1rg6 h GLN 53 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1rg6 h GLN 53 Cb 0.91 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1rg6 h GLN 53 CO 0.07 0.00 -0.90 1.19 -1.93 0.00 0.00 178.83 177.26 1rg6 n PHE 54 N -3.49 0.00 -0.05 3.99 3.72 -1.08 -4.01 117.46 116.54 1rg6 n PHE 54 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 1rg6 n PHE 54 Cb 0.08 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1rg6 n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rg6 h ARG 55 N 0.00 0.41 0.00 -1.08 3.08 -0.88 -2.45 114.38 113.46 1rg6 h ARG 55 Ca 0.00 -0.26 -0.19 0.00 0.07 0.00 0.00 59.98 59.61 1rg6 h ARG 55 Cb 0.45 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1rg6 h ARG 55 CO 0.00 0.85 -0.88 1.12 -1.07 0.00 0.00 179.97 179.99 1rg6 h HIS 56 N 0.02 0.00 -0.24 3.04 2.07 -1.77 -2.74 115.15 115.52 1rg6 h HIS 56 Ca 0.01 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.42 1rg6 h HIS 56 Cb 0.82 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.80 1rg6 h HIS 56 CO 0.10 0.88 -0.26 0.00 -3.07 0.00 0.00 177.93 175.58 1rg6 h ALA 57 N 1.12 0.36 -0.17 6.11 0.00 -1.69 -2.31 119.26 122.68 1rg6 h ALA 57 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1rg6 h ALA 57 Cb 1.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1rg6 h ALA 57 CO 0.11 0.35 -0.34 0.82 0.00 0.00 0.00 179.25 180.19 1rg6 h ILE 58 N 0.31 1.35 -0.97 0.00 2.04 -1.53 -3.21 117.51 115.50 1rg6 h ILE 58 Ca 0.04 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.31 1rg6 h ILE 58 Cb 0.83 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 1rg6 h ILE 58 CO 0.06 0.48 0.64 -0.25 0.00 0.00 0.00 178.15 179.09 1rg6 h TRP 59 N 0.16 1.23 -1.01 1.37 7.01 -1.54 -2.62 115.95 120.55 1rg6 h TRP 59 Ca 0.00 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.04 1rg6 h TRP 59 Cb 0.94 -0.41 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 1rg6 h TRP 59 CO 0.10 0.77 0.67 -0.22 -2.79 0.00 0.00 178.44 176.97 1rg6 h LYS 60 N 1.32 1.33 0.00 2.65 3.64 -1.42 -1.92 116.57 122.17 1rg6 h LYS 60 Ca 0.36 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1rg6 h LYS 60 Cb -0.15 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.36 1rg6 h LYS 60 CO -0.08 0.88 -0.36 0.78 -2.27 0.00 0.00 179.45 178.40 1rg6 h GLY 61 N 1.37 0.00 1.26 5.01 0.00 -1.48 -2.89 103.07 106.34 1rg6 h GLY 61 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1rg6 h GLY 61 CO -0.08 0.00 0.21 -2.22 0.00 0.00 0.00 176.54 174.45 1rg6 h ILE 62 N 0.00 1.23 -0.32 2.60 2.04 -1.20 -2.82 117.51 119.04 1rg6 h ILE 62 Ca -0.00 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1rg6 h ILE 62 Cb 0.65 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1rg6 h ILE 62 CO 0.05 0.30 0.21 -0.07 0.00 0.00 0.00 178.15 178.64 1rg6 h LEU 63 N 0.91 0.36 -1.01 1.44 3.38 -1.44 -2.51 115.31 116.44 1rg6 h LEU 63 Ca 0.21 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1rg6 h LEU 63 Cb 0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1rg6 h LEU 63 CO -0.01 0.26 0.67 0.44 0.09 0.00 0.00 178.44 179.89 1rg6 h ASP 64 N 0.43 1.16 -0.83 -0.43 3.32 -1.59 -2.33 116.42 116.14 1rg6 h ASP 64 Ca 0.12 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1rg6 h ASP 64 Cb -0.05 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 1rg6 h ASP 64 CO -0.03 0.84 0.55 -0.74 -1.72 0.00 0.00 179.24 178.14 1rg6 h HIS 65 N 1.37 1.04 -0.70 4.55 2.76 -1.22 -2.33 115.15 120.62 1rg6 h HIS 65 Ca 0.37 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.53 1rg6 h HIS 65 Cb -0.16 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.42 1rg6 h HIS 65 CO -0.00 0.66 0.28 -0.09 -1.30 0.00 0.00 177.93 177.48 1rg6 h ARG 66 N 1.12 1.02 -0.58 5.26 2.43 -1.03 -2.76 114.38 119.85 1rg6 h ARG 66 Ca 0.30 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1rg6 h ARG 66 Cb -0.13 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 1rg6 h ARG 66 CO -0.07 0.83 0.38 1.96 -1.51 0.00 0.00 179.97 181.57 1rg6 h GLN 67 N 1.01 0.76 -0.37 0.20 4.20 -1.07 -2.59 115.11 117.25 1rg6 h GLN 67 Ca 0.24 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 1rg6 h GLN 67 Cb 0.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1rg6 h GLN 67 CO -0.02 0.51 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.18 1rg6 h LEU 68 N 0.79 0.96 -8.23 1.46 3.38 -1.39 -3.40 115.31 108.88 1rg6 h LEU 68 Ca 0.21 -0.44 -0.69 0.00 0.09 0.00 0.00 57.88 57.05 1rg6 h LEU 68 Cb -0.09 -0.27 -0.28 0.00 0.09 0.00 0.00 40.66 40.11 1rg6 h LEU 68 CO -0.05 1.23 -0.61 -2.28 0.09 0.00 0.00 178.44 176.83 1rg6 s HIS 69 N -4.37 3.23 -0.08 1.13 2.46 -0.97 -5.08 115.29 111.61 1rg6 s HIS 69 Ca -0.11 -1.34 0.03 0.00 0.47 0.00 0.00 55.06 54.11 1rg6 s HIS 69 Cb 0.11 -2.26 0.01 0.00 -0.13 0.00 0.00 32.58 30.30 1rg6 s HIS 69 CO 0.88 -0.70 -0.18 -2.00 -2.47 0.00 0.00 174.74 170.27 1rg6 s GLU 70 N 1.42 2.33 0.00 2.88 2.12 -1.26 -4.78 118.70 121.40 1rg6 s GLU 70 Ca -0.01 -0.64 0.29 0.00 0.36 0.00 0.00 54.97 54.97 1rg6 s GLU 70 Cb -0.19 -1.83 1.70 0.00 0.26 0.00 0.00 34.13 34.08 1rg6 s GLU 70 CO 0.03 0.11 2.04 1.19 -0.54 0.00 0.00 175.26 178.09