#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 0.00 -3.37 0.52 1.35 -2.08 -3.41 112.91 105.92 1rg6 h THR 6 Ca 0.00 -0.49 -0.66 0.00 -0.55 0.00 0.00 66.41 64.71 1rg6 h THR 6 Cb 0.00 1.48 -0.28 0.00 -1.73 0.00 0.00 68.15 67.62 1rg6 h THR 6 CO 0.00 0.00 -0.73 -1.81 -0.25 0.00 0.00 175.52 172.73 1rg6 s ASP 7 N -5.61 4.24 -0.38 5.36 1.01 -1.26 -4.96 116.67 115.07 1rg6 s ASP 7 Ca 0.01 -0.39 0.11 0.00 0.71 0.00 0.00 52.55 52.99 1rg6 s ASP 7 Cb 0.09 -1.72 0.41 0.00 1.01 0.00 0.00 42.92 42.71 1rg6 s ASP 7 CO 0.53 0.00 1.28 0.00 0.21 0.00 0.00 175.17 177.19 1rg6 n SER 9 N -0.50 -2.02 -0.02 0.00 3.41 -1.26 -3.79 113.62 109.45 1rg6 n SER 9 Ca -0.01 -0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.31 1rg6 n SER 9 Cb 0.84 -1.21 0.12 0.00 -0.26 0.00 0.00 64.21 63.70 1rg6 n SER 9 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1rg6 h ILE 10 N -2.76 1.29 -0.19 -1.33 2.04 -0.22 -3.28 117.51 113.06 1rg6 h ILE 10 Ca -0.63 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 63.80 1rg6 h ILE 10 Cb 1.34 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 1rg6 h ILE 10 CO 0.49 0.47 -0.37 0.58 0.00 0.00 0.00 178.15 179.31 1rg6 h VAL 11 N 0.49 0.20 -1.01 1.67 2.07 -1.92 -2.12 116.25 115.64 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 0.84 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1rg6 h VAL 11 CO 0.07 0.00 0.67 0.28 0.02 0.00 0.00 177.57 178.61 1rg6 h SER 12 N -0.42 1.16 -0.13 0.57 0.02 -1.94 -3.00 113.55 109.81 1rg6 h SER 12 Ca 0.10 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1rg6 h SER 12 Cb 0.59 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1rg6 h SER 12 CO -0.41 0.84 0.09 0.15 -1.14 0.00 0.00 176.83 176.35 1rg6 h PHE 13 N 1.37 0.16 -0.76 3.45 3.57 -1.46 -2.77 116.94 120.50 1rg6 h PHE 13 Ca 0.37 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1rg6 h PHE 13 Cb -0.16 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 1rg6 h PHE 13 CO -0.00 0.10 0.51 -0.07 -2.23 0.00 0.00 178.31 176.62 1rg6 h LEU 14 N 0.17 0.87 -0.42 0.59 3.38 -1.30 -2.36 115.31 116.25 1rg6 h LEU 14 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rg6 h LEU 14 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1rg6 h LEU 14 CO -0.01 0.63 0.28 0.00 0.09 0.00 0.00 178.44 179.43 1rg6 h ALA 15 N 1.53 0.53 0.00 1.53 0.00 -1.24 0.85 119.26 122.46 1rg6 h ALA 15 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1rg6 h ALA 15 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1rg6 h ALA 15 CO -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.17 1rg6 h ARG 16 N 0.57 0.00 -0.58 0.00 2.47 -1.19 -0.49 114.38 115.16 1rg6 h ARG 16 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1rg6 h ARG 16 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1rg6 h ARG 16 CO -0.03 0.01 0.00 -0.11 0.56 0.00 0.00 179.97 180.40 1rg6 n LEU 17 N -3.62 4.49 -1.65 3.04 7.94 -0.54 -4.92 117.00 121.74 1rg6 n LEU 17 Ca -0.03 -2.45 -0.15 0.00 -1.11 0.00 0.00 56.01 52.28 1rg6 n LEU 17 Cb 0.09 -0.54 -0.01 0.00 0.53 0.00 0.00 43.42 43.49 1rg6 n LEU 17 CO 0.26 0.80 -0.19 0.61 -1.11 0.00 0.00 177.39 177.76 1rg6 n GLY 18 N 0.92 -0.06 3.39 -3.96 0.00 -0.19 -5.00 105.19 100.29 1rg6 n GLY 18 Ca 0.24 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 1.34 0.00 0.16 0.00 2.88 -1.26 -2.61 113.62 114.13 1rg6 n SER 20 Ca -0.17 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 1rg6 n SER 20 Cb 0.52 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.72 1rg6 n SER 20 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1rg6 h SER 21 N 0.00 0.00 -0.02 -3.46 0.02 -1.98 0.36 113.55 108.46 1rg6 h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rg6 h SER 21 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rg6 h SER 21 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1rg6 h LEU 23 N 3.13 1.00 -1.54 0.00 5.85 -0.66 -2.52 115.31 120.57 1rg6 h LEU 23 Ca 0.00 -0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.92 1rg6 h LEU 23 Cb 0.66 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1rg6 h LEU 23 CO 0.00 0.73 0.63 -0.78 -0.34 0.00 0.00 178.44 178.68 1rg6 h ASP 24 N 1.19 0.36 -0.48 1.25 1.82 -1.76 -1.05 116.42 117.74 1rg6 h ASP 24 Ca 0.32 0.05 -0.13 0.00 -0.39 0.00 0.00 57.03 56.87 1rg6 h ASP 24 Cb -0.14 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1rg6 h ASP 24 CO -0.07 0.12 -0.22 1.88 -1.61 0.00 0.00 179.24 179.35 1rg6 h TYR 25 N 0.35 1.15 -0.54 0.28 0.05 -1.76 -1.72 116.97 114.79 1rg6 h TYR 25 Ca 0.50 -0.28 -0.09 0.00 0.05 0.00 0.00 58.73 58.91 1rg6 h TYR 25 Cb 1.35 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 1rg6 h TYR 25 CO -0.00 1.11 0.00 0.74 -1.05 0.00 0.00 178.16 178.96 1rg6 h PHE 26 N 0.86 1.04 -0.69 4.88 0.04 -1.28 -2.41 116.94 119.39 1rg6 h PHE 26 Ca 0.11 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 1rg6 h PHE 26 Cb 0.80 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1rg6 h PHE 26 CO 0.05 0.95 0.13 1.79 -0.60 0.00 0.00 178.31 180.62 1rg6 h THR 27 N 0.83 1.26 0.00 -1.55 1.35 -1.41 -1.79 112.91 111.61 1rg6 h THR 27 Ca 0.15 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1rg6 h THR 27 Cb 0.53 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1rg6 h THR 27 CO 0.03 0.39 0.00 0.74 -0.25 0.00 0.00 175.52 176.43 1rg6 h THR 28 N 1.06 0.00 0.00 6.82 2.02 -1.06 -2.85 112.91 118.91 1rg6 h THR 28 Ca 0.21 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1rg6 h THR 28 Cb 0.43 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1rg6 h THR 28 CO 0.01 0.00 -1.11 0.00 0.37 0.00 0.00 175.52 174.79 1rg6 n GLN 29 N -2.82 0.44 -0.35 6.66 1.13 -0.79 -4.97 117.38 116.68 1rg6 n GLN 29 Ca -0.00 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1rg6 n GLN 29 Cb 0.20 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.10 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 1.45 0.82 3.47 1.08 0.00 -0.88 -5.05 105.19 106.08 1rg6 n GLY 30 Ca 0.03 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.82 0.00 0.99 1.43 -0.74 -4.92 118.68 119.26 1rg6 s LEU 31 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1rg6 s LEU 31 Cb 0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1rg6 s LEU 31 CO 0.00 -0.10 0.00 0.35 0.23 0.00 0.00 176.35 176.83 1rg6 n THR 32 N 4.97 0.00 -3.85 5.49 -2.24 -1.26 -4.07 114.28 113.32 1rg6 n THR 32 Ca -0.15 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1rg6 n THR 32 Cb 0.51 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 1rg6 n THR 32 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rg6 s THR 33 N -1.60 5.37 0.23 4.28 -4.23 -1.26 0.50 115.64 118.92 1rg6 s THR 33 Ca 0.00 -0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1rg6 s THR 33 Cb 0.00 -3.57 0.20 0.00 1.34 0.00 0.00 72.50 70.46 1rg6 s THR 33 CO 0.00 0.27 1.84 0.40 -0.54 0.00 0.00 174.62 176.59 1rg6 h ILE 34 N 2.66 1.26 -0.42 2.99 2.04 -1.82 -2.25 117.51 121.98 1rg6 h ILE 34 Ca -0.48 -0.70 0.12 0.00 1.00 0.00 0.00 64.86 64.80 1rg6 h ILE 34 Cb 1.18 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1rg6 h ILE 34 CO 0.70 0.31 0.52 1.88 0.00 0.00 0.00 178.15 181.56 1rg6 h TYR 35 N 1.24 0.00 -0.39 1.37 0.05 -1.94 0.33 116.97 117.62 1rg6 h TYR 35 Ca 0.30 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.94 1rg6 h TYR 35 Cb 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1rg6 h TYR 35 CO 0.01 0.00 -0.32 1.96 -1.05 0.00 0.00 178.16 178.76 1rg6 h GLN 36 N 0.00 0.88 -0.41 4.88 1.08 -1.82 -3.16 115.11 116.56 1rg6 h GLN 36 Ca 0.20 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1rg6 h GLN 36 Cb 1.24 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1rg6 h GLN 36 CO -0.00 1.07 0.00 0.44 -0.95 0.00 0.00 178.83 179.38 1rg6 n ILE 37 N -4.07 0.56 0.08 2.54 -5.35 0.98 -4.44 119.36 109.66 1rg6 n ILE 37 Ca -0.01 -0.78 0.05 0.00 -0.27 0.00 0.00 62.75 61.74 1rg6 n ILE 37 Cb 0.50 0.94 0.49 0.00 -1.74 0.00 0.00 39.64 39.83 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 4.34 0.36 0.00 6.28 4.39 -1.00 -2.47 114.58 126.48 1rg6 h GLU 38 Ca 0.00 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1rg6 h GLU 38 Cb 0.97 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1rg6 h GLU 38 CO 0.00 0.24 -1.60 0.72 -1.16 0.00 0.00 179.01 177.21 1rg6 n HIS 39 N -4.49 0.61 -1.74 4.33 8.25 -1.26 -4.94 115.22 115.97 1rg6 n HIS 39 Ca 0.01 0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 57.26 1rg6 n HIS 39 Cb 0.07 -0.91 0.02 0.00 1.12 0.00 0.00 29.99 30.29 1rg6 n HIS 39 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rg6 n TYR 40 N -2.67 2.47 -2.99 4.41 4.02 -0.93 -5.01 117.16 116.45 1rg6 n TYR 40 Ca -0.09 0.46 -0.19 0.00 -0.01 0.00 0.00 57.90 58.06 1rg6 n TYR 40 Cb 0.76 -2.42 0.05 0.00 -0.02 0.00 0.00 39.34 37.70 1rg6 n TYR 40 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1rg6 s SER 41 N -0.53 5.20 0.20 7.72 0.01 -1.26 -4.94 113.70 120.10 1rg6 s SER 41 Ca 0.62 -0.68 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 1rg6 s SER 41 Cb -0.46 -0.00 0.14 0.00 0.21 0.00 0.00 66.02 65.90 1rg6 s SER 41 CO 0.57 -1.22 1.87 0.24 0.41 0.00 0.00 173.24 175.11 1rg6 h MET 42 N 0.25 0.94 -0.93 12.44 2.86 -1.95 -1.84 114.93 126.70 1rg6 h MET 42 Ca -0.33 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1rg6 h MET 42 Cb 1.28 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 1rg6 h MET 42 CO 0.42 0.63 0.54 -0.44 1.06 0.00 0.00 176.91 179.12 1rg6 h ASP 43 N 0.97 1.14 0.07 1.22 3.32 -1.99 -1.94 116.42 119.22 1rg6 h ASP 43 Ca 0.26 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1rg6 h ASP 43 Cb -0.11 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1rg6 h ASP 43 CO -0.06 0.89 -0.25 0.44 -1.72 0.00 0.00 179.24 178.54 1rg6 h ASP 44 N 1.29 0.29 -0.56 6.45 3.32 -1.81 -2.90 116.42 122.51 1rg6 h ASP 44 Ca 0.33 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1rg6 h ASP 44 Cb -0.02 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1rg6 h ASP 44 CO -0.06 0.55 -0.09 0.25 -1.72 0.00 0.00 179.24 178.17 1rg6 h LEU 45 N 0.27 1.05 -0.24 1.55 5.85 -0.57 -3.16 115.31 120.05 1rg6 h LEU 45 Ca 0.04 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.46 1rg6 h LEU 45 Cb 0.59 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1rg6 h LEU 45 CO 0.04 1.15 -0.02 0.00 -0.34 0.00 0.00 178.44 179.27 1rg6 h ALA 46 N 0.94 0.20 -0.38 1.25 0.00 -1.26 -0.84 119.26 119.18 1rg6 h ALA 46 Ca 0.15 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1rg6 h ALA 46 Cb 0.66 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1rg6 h ALA 46 CO 0.05 -0.44 0.53 0.66 0.00 0.00 0.00 179.25 180.05 1rg6 h SER 47 N 0.05 0.00 0.00 0.00 4.64 -1.57 0.12 113.55 116.79 1rg6 h SER 47 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rg6 h SER 47 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1rg6 h SER 47 CO -0.21 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.64 1rg6 n LEU 48 N -3.44 0.32 0.00 5.97 7.94 -0.32 -4.81 117.00 122.66 1rg6 n LEU 48 Ca 0.07 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1rg6 n LEU 48 Cb 0.69 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1rg6 n LEU 48 CO 0.23 0.08 0.00 0.29 -1.11 0.00 0.00 177.39 176.88 1rg6 n LYS 49 N -0.28 0.00 -2.63 1.96 5.02 0.40 -4.88 118.16 117.75 1rg6 n LYS 49 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1rg6 n LYS 49 Cb 0.08 -2.46 -0.04 0.00 -0.02 0.00 0.00 35.03 32.60 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 -3.84 4.42 0.65 -0.18 1.01 -1.21 -5.01 121.20 117.04 1rg6 s ILE 50 Ca 0.00 1.88 -0.16 0.00 0.00 0.00 0.00 60.65 62.37 1rg6 s ILE 50 Cb 0.00 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.26 1rg6 s ILE 50 CO 0.00 0.23 1.15 -2.16 0.00 0.00 0.00 174.94 174.15 1rg6 s PRO 51 N 0.43 2.74 0.31 2.79 0.04 -1.26 -4.38 135.00 135.67 1rg6 s PRO 51 Ca 0.51 1.56 0.24 0.00 0.04 0.00 0.00 61.00 63.35 1rg6 s PRO 51 Cb -0.25 -1.93 1.12 0.00 0.04 0.00 0.00 34.50 33.49 1rg6 s PRO 51 CO 0.30 -1.33 1.74 1.05 0.04 0.00 0.00 177.00 178.80 1rg6 h GLU 52 N 0.21 0.00 -0.72 4.56 4.11 -1.96 -2.82 114.58 117.95 1rg6 h GLU 52 Ca -0.48 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.96 1rg6 h GLU 52 Cb 1.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1rg6 h GLU 52 CO 0.53 0.00 0.47 0.37 0.07 0.00 0.00 179.01 180.46 1rg6 h GLN 53 N 0.00 0.96 -0.26 1.06 4.15 -2.03 -1.57 115.11 117.42 1rg6 h GLN 53 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1rg6 h GLN 53 Cb 0.24 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1rg6 h GLN 53 CO 0.00 0.64 0.00 1.19 -1.93 0.00 0.00 178.83 178.73 1rg6 n PHE 54 N -4.42 0.31 -0.03 3.99 3.01 -1.07 -4.06 117.46 115.19 1rg6 n PHE 54 Ca 0.08 -0.16 -0.13 0.00 1.01 0.00 0.00 57.45 58.25 1rg6 n PHE 54 Cb 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.42 1rg6 n PHE 54 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rg6 h ARG 55 N 4.59 0.17 0.00 -1.08 3.08 -1.22 -2.31 114.38 117.62 1rg6 h ARG 55 Ca 0.00 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 59.74 1rg6 h ARG 55 Cb 1.00 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 1rg6 h ARG 55 CO 0.00 0.65 -1.03 1.12 -1.07 0.00 0.00 179.97 179.64 1rg6 h HIS 56 N -0.29 0.00 -0.18 3.04 2.07 -1.77 -2.74 115.15 115.28 1rg6 h HIS 56 Ca 0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 1rg6 h HIS 56 Cb 0.63 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 1rg6 h HIS 56 CO 0.10 0.91 0.04 0.00 -3.07 0.00 0.00 177.93 175.91 1rg6 h ALA 57 N 1.09 0.24 -0.00 6.11 0.00 -1.70 -2.60 119.26 122.40 1rg6 h ALA 57 Ca -0.05 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 1rg6 h ALA 57 Cb 1.74 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.48 1rg6 h ALA 57 CO 0.11 -0.11 -1.01 0.82 0.00 0.00 0.00 179.25 179.06 1rg6 h ILE 58 N 0.10 1.29 -0.61 0.00 2.04 -1.52 -3.29 117.51 115.51 1rg6 h ILE 58 Ca 0.06 -2.23 0.01 0.00 1.00 0.00 0.00 64.86 63.70 1rg6 h ILE 58 Cb 0.28 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1rg6 h ILE 58 CO 0.00 0.69 0.41 -0.25 0.00 0.00 0.00 178.15 179.00 1rg6 h TRP 59 N 0.37 0.77 -1.00 1.37 7.01 -1.51 -2.50 115.95 120.46 1rg6 h TRP 59 Ca -0.13 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.90 1rg6 h TRP 59 Cb 1.67 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 28.42 1rg6 h TRP 59 CO 0.11 0.49 0.66 -0.22 -2.79 0.00 0.00 178.44 176.68 1rg6 h LYS 60 N 0.83 1.31 -0.01 2.65 3.64 -1.52 -1.80 116.57 121.66 1rg6 h LYS 60 Ca 0.22 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1rg6 h LYS 60 Cb -0.10 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.42 1rg6 h LYS 60 CO -0.05 0.86 -0.29 0.78 -2.27 0.00 0.00 179.45 178.48 1rg6 h GLY 61 N 1.34 0.02 1.32 5.01 0.00 -1.57 -2.81 103.07 106.39 1rg6 h GLY 61 Ca 0.37 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1rg6 h GLY 61 CO -0.08 0.02 -0.01 -2.22 0.00 0.00 0.00 176.54 174.24 1rg6 h ILE 62 N 0.02 1.25 -0.06 2.60 2.04 -1.25 -2.70 117.51 119.41 1rg6 h ILE 62 Ca 0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1rg6 h ILE 62 Cb 0.53 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1rg6 h ILE 62 CO 0.04 0.37 0.04 -0.07 0.00 0.00 0.00 178.15 178.52 1rg6 h LEU 63 N 0.77 0.06 -1.24 1.44 3.38 -1.38 -2.30 115.31 116.04 1rg6 h LEU 63 Ca 0.15 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1rg6 h LEU 63 Cb 0.48 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1rg6 h LEU 63 CO 0.02 0.05 0.51 0.44 0.09 0.00 0.00 178.44 179.55 1rg6 h ASP 64 N 0.08 0.89 -1.00 -0.43 3.32 -1.60 -2.24 116.42 115.44 1rg6 h ASP 64 Ca 0.02 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1rg6 h ASP 64 Cb -0.01 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 1rg6 h ASP 64 CO -0.01 0.64 0.66 -0.74 -1.72 0.00 0.00 179.24 178.07 1rg6 h HIS 65 N 1.05 1.26 -0.27 4.55 2.76 -1.09 -2.71 115.15 120.68 1rg6 h HIS 65 Ca 0.29 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.29 1rg6 h HIS 65 Cb -0.11 -0.43 0.00 0.00 1.55 0.00 0.00 27.41 28.42 1rg6 h HIS 65 CO -0.00 0.79 -0.58 0.00 -1.30 0.00 0.00 177.93 176.84 1rg6 h ARG 66 N 1.36 0.87 -1.00 5.26 3.08 -0.92 -3.22 114.38 119.80 1rg6 h ARG 66 Ca 0.37 -0.57 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1rg6 h ARG 66 Cb -0.15 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1rg6 h ARG 66 CO -0.08 1.21 0.66 1.96 -1.07 0.00 0.00 179.97 182.65 1rg6 h GLN 67 N 0.66 1.32 -0.01 0.04 4.20 -1.13 -2.32 115.11 117.88 1rg6 h GLN 67 Ca 0.01 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1rg6 h GLN 67 Cb 1.19 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1rg6 h GLN 67 CO 0.13 0.87 -0.53 1.37 -0.67 0.00 0.00 178.83 180.00 1rg6 h LEU 68 N 1.36 0.03 -7.97 1.46 8.10 -1.58 -3.39 115.31 113.32 1rg6 h LEU 68 Ca 0.37 -0.01 -0.68 0.00 0.11 0.00 0.00 57.88 57.67 1rg6 h LEU 68 Cb -0.16 -0.01 -0.34 0.00 -0.44 0.00 0.00 40.66 39.71 1rg6 h LEU 68 CO -0.08 0.56 -0.73 -2.28 -4.11 0.00 0.00 178.44 171.80 1rg6 s HIS 69 N -3.82 3.29 0.15 0.17 2.46 -0.87 -4.98 115.29 111.70 1rg6 s HIS 69 Ca -0.02 -2.07 -0.10 0.00 0.47 0.00 0.00 55.06 53.34 1rg6 s HIS 69 Cb 0.13 -2.11 -0.01 0.00 -0.13 0.00 0.00 32.58 30.46 1rg6 s HIS 69 CO 0.75 -0.84 1.53 1.49 -2.47 0.00 0.00 174.74 175.20 1rg6 h GLU 70 N 7.92 0.99 0.00 2.88 4.57 -1.78 -3.43 114.58 125.73 1rg6 h GLU 70 Ca -0.20 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 1rg6 h GLU 70 Cb 1.05 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1rg6 h GLU 70 CO 0.51 1.13 0.00 0.34 -1.18 0.00 0.00 179.01 179.81