#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg6 n THR 6 N 0.00 0.55 -5.14 0.52 5.66 -1.26 -4.93 114.28 109.68 1rg6 n THR 6 Ca 0.00 -0.78 -0.32 0.00 -3.05 0.00 0.00 64.05 59.90 1rg6 n THR 6 Cb 0.00 0.89 -0.16 0.00 -1.55 0.00 0.00 70.33 69.50 1rg6 n THR 6 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1rg6 s ASP 7 N -1.21 3.27 -0.27 1.09 1.01 -1.26 -5.02 116.67 114.29 1rg6 s ASP 7 Ca 0.29 -0.50 0.11 0.00 0.71 0.00 0.00 52.55 53.16 1rg6 s ASP 7 Cb 0.17 -1.33 0.47 0.00 1.01 0.00 0.00 42.92 43.23 1rg6 s ASP 7 CO 0.24 0.18 1.18 0.00 0.21 0.00 0.00 175.17 176.97 1rg6 n SER 9 N -0.69 -0.63 0.03 0.00 3.41 -1.26 -3.16 113.62 111.31 1rg6 n SER 9 Ca 0.33 0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 59.09 1rg6 n SER 9 Cb 0.92 -1.37 0.13 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.13 1.32 -0.48 -1.33 2.04 -1.84 -3.28 117.51 111.81 1rg6 h ILE 10 Ca -0.49 -1.66 0.10 0.00 1.00 0.00 0.00 64.86 63.80 1rg6 h ILE 10 Cb 1.29 1.69 -0.09 0.00 -0.74 0.00 0.00 36.82 38.97 1rg6 h ILE 10 CO 0.43 0.51 -0.15 0.58 0.00 0.00 0.00 178.15 179.52 1rg6 h VAL 11 N 0.35 0.46 -0.99 1.67 2.07 -1.91 -0.33 116.25 117.56 1rg6 h VAL 11 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1rg6 h VAL 11 Cb 0.95 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1rg6 h VAL 11 CO 0.08 0.00 0.66 0.28 0.02 0.00 0.00 177.57 178.61 1rg6 h SER 12 N -0.04 1.14 -0.00 0.57 0.02 -1.94 -2.98 113.55 110.30 1rg6 h SER 12 Ca 0.23 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1rg6 h SER 12 Cb 0.39 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1rg6 h SER 12 CO -0.52 0.82 0.00 0.15 -1.14 0.00 0.00 176.83 176.14 1rg6 h PHE 13 N 1.34 0.00 -0.90 3.45 3.57 -1.15 -2.68 116.94 120.57 1rg6 h PHE 13 Ca 0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1rg6 h PHE 13 Cb -0.15 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1rg6 h PHE 13 CO -0.00 -0.00 0.58 -0.07 -2.23 0.00 0.00 178.31 176.59 1rg6 h LEU 14 N 0.00 1.06 -0.91 0.59 3.38 -1.32 -2.13 115.31 115.98 1rg6 h LEU 14 Ca 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1rg6 h LEU 14 Cb 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1rg6 h LEU 14 CO -0.00 0.78 0.60 0.00 0.09 0.00 0.00 178.44 179.91 1rg6 h ALA 15 N 1.40 1.15 0.00 1.53 0.00 -1.31 0.50 119.26 122.53 1rg6 h ALA 15 Ca 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1rg6 h ALA 15 Cb -0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.31 1rg6 h ALA 15 CO -0.07 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1rg6 h ARG 16 N 1.23 0.00 -0.66 0.00 3.08 -1.05 -1.48 114.38 115.49 1rg6 h ARG 16 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1rg6 h ARG 16 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1rg6 h ARG 16 CO -0.07 0.05 0.00 -0.11 -1.07 0.00 0.00 179.97 178.77 1rg6 n LEU 17 N -4.47 4.92 -1.47 3.04 7.94 -0.63 -4.91 117.00 121.41 1rg6 n LEU 17 Ca -0.03 -2.49 -0.13 0.00 -1.11 0.00 0.00 56.01 52.25 1rg6 n LEU 17 Cb 0.13 -0.60 -0.01 0.00 0.53 0.00 0.00 43.42 43.47 1rg6 n LEU 17 CO 0.35 0.81 -0.17 0.61 -1.11 0.00 0.00 177.39 177.88 1rg6 n GLY 18 N 1.14 -0.03 3.34 -3.96 0.00 -0.56 -5.01 105.19 100.11 1rg6 n GLY 18 Ca 0.27 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 0.97 0.00 0.10 0.00 3.41 -1.26 -2.71 113.62 114.12 1rg6 n SER 20 Ca -0.19 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.63 1rg6 n SER 20 Cb 0.53 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.19 1rg6 n SER 20 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1rg6 h SER 21 N 0.00 0.00 -0.13 4.04 0.02 -1.99 0.47 113.55 115.97 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 2.75 1.08 -1.65 0.00 5.85 -0.44 -2.32 115.31 120.59 1rg6 h LEU 23 Ca 0.00 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1rg6 h LEU 23 Cb 0.60 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1rg6 h LEU 23 CO 0.00 0.73 0.56 0.44 -0.34 0.00 0.00 178.44 179.82 1rg6 h ASP 24 N 1.25 0.30 -0.58 1.25 3.32 -1.78 -1.46 116.42 118.72 1rg6 h ASP 24 Ca 0.41 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.45 1rg6 h ASP 24 Cb 0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1rg6 h ASP 24 CO -0.14 0.13 0.24 1.88 -1.72 0.00 0.00 179.24 179.64 1rg6 h TYR 25 N 0.31 0.88 -0.37 4.55 0.05 -1.73 -2.39 116.97 118.27 1rg6 h TYR 25 Ca 0.42 -0.06 -0.16 0.00 0.05 0.00 0.00 58.73 58.97 1rg6 h TYR 25 Cb 1.15 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 1rg6 h TYR 25 CO -0.00 0.70 -0.40 0.74 -1.05 0.00 0.00 178.16 178.15 1rg6 h PHE 26 N 0.80 1.12 0.00 4.88 0.04 -1.39 -3.12 116.94 119.27 1rg6 h PHE 26 Ca 0.20 -0.34 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 1rg6 h PHE 26 Cb 0.19 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1rg6 h PHE 26 CO 0.01 1.18 -0.00 1.79 -0.60 0.00 0.00 178.31 180.68 1rg6 h THR 27 N 0.75 1.03 0.00 -1.55 1.35 -1.34 -2.15 112.91 111.00 1rg6 h THR 27 Ca 0.06 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1rg6 h THR 27 Cb 1.00 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1rg6 h THR 27 CO 0.10 0.03 0.00 1.07 -0.25 0.00 0.00 175.52 176.47 1rg6 n THR 28 N -5.07 1.30 0.54 6.82 5.66 -0.91 -2.46 114.28 120.15 1rg6 n THR 28 Ca -0.07 0.32 0.11 0.00 -3.05 0.00 0.00 64.05 61.36 1rg6 n THR 28 Cb 0.05 -1.16 -0.13 0.00 -1.55 0.00 0.00 70.33 67.55 1rg6 n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rg6 n GLN 29 N -1.49 0.30 -0.17 1.09 1.13 -0.85 -4.98 117.38 112.42 1rg6 n GLN 29 Ca 0.02 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1rg6 n GLN 29 Cb 0.11 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 1.39 0.91 3.44 1.08 0.00 -1.03 -5.06 105.19 105.91 1rg6 n GLY 30 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 4.42 -0.08 0.99 1.02 -0.96 -4.93 118.68 119.14 1rg6 s LEU 31 Ca 0.00 -0.67 0.12 0.00 0.02 0.00 0.00 54.13 53.60 1rg6 s LEU 31 Cb 0.00 -2.04 0.22 0.00 0.02 0.00 0.00 46.19 44.39 1rg6 s LEU 31 CO 0.00 -0.27 1.11 0.35 0.02 0.00 0.00 176.35 177.55 1rg6 n THR 32 N 5.02 1.05 -3.79 5.49 -2.24 -1.26 -4.29 114.28 114.26 1rg6 n THR 32 Ca -0.13 -1.46 -0.13 0.00 -2.27 0.00 0.00 64.05 60.07 1rg6 n THR 32 Cb 0.48 0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.58 0.02 0.24 4.28 -4.23 -1.26 -4.16 115.64 108.94 1rg6 s THR 33 Ca 0.22 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1rg6 s THR 33 Cb 0.21 -0.43 0.11 0.00 1.34 0.00 0.00 72.50 73.73 1rg6 s THR 33 CO -0.02 -0.10 1.74 -0.29 -0.54 0.00 0.00 174.62 175.41 1rg6 h ILE 34 N 4.50 1.25 -0.00 2.99 2.10 -1.79 -2.71 117.51 123.85 1rg6 h ILE 34 Ca -0.27 -1.01 0.00 0.00 1.08 0.00 0.00 64.86 64.66 1rg6 h ILE 34 Cb 1.19 0.77 -0.00 0.00 -1.09 0.00 0.00 36.82 37.69 1rg6 h ILE 34 CO 0.36 0.37 0.00 0.10 -1.08 0.00 0.00 178.15 177.90 1rg6 h TYR 35 N 0.86 0.00 -0.51 2.19 -0.00 -1.97 -2.39 116.97 115.15 1rg6 h TYR 35 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.83 1rg6 h TYR 35 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.15 1rg6 h TYR 35 CO 0.03 0.00 0.05 1.96 -0.00 0.00 0.00 178.16 180.20 1rg6 h GLN 36 N 0.00 0.83 -0.91 0.10 4.20 -1.91 -2.57 115.11 114.85 1rg6 h GLN 36 Ca 0.00 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.30 1rg6 h GLN 36 Cb 0.00 -0.11 -0.12 0.00 0.30 0.00 0.00 27.48 27.55 1rg6 h GLN 36 CO -0.00 0.80 0.27 0.44 -0.67 0.00 0.00 178.83 179.66 1rg6 n ILE 37 N -4.23 2.15 -0.38 2.54 -5.35 -0.90 -4.51 119.36 108.68 1rg6 n ILE 37 Ca 0.03 -1.08 -0.02 0.00 -0.27 0.00 0.00 62.75 61.41 1rg6 n ILE 37 Cb 0.28 -0.56 0.11 0.00 -1.74 0.00 0.00 39.64 37.73 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 1.29 1.32 -0.01 6.28 5.08 -1.52 -3.19 114.58 123.83 1rg6 h GLU 38 Ca 0.26 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1rg6 h GLU 38 Cb 1.91 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1rg6 h GLU 38 CO 0.56 0.88 -0.24 0.72 -1.00 0.00 0.00 179.01 179.93 1rg6 n HIS 39 N -4.38 0.00 -1.70 4.33 8.25 -1.26 -5.02 115.22 115.44 1rg6 n HIS 39 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 1rg6 n HIS 39 Cb 0.01 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.14 1rg6 n HIS 39 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1rg6 n TYR 40 N -0.03 2.07 -3.33 4.41 4.11 -1.21 -5.01 117.16 118.18 1rg6 n TYR 40 Ca 0.06 0.50 -0.21 0.00 -0.00 0.00 0.00 57.90 58.25 1rg6 n TYR 40 Cb 0.29 -2.36 0.04 0.00 -0.00 0.00 0.00 39.34 37.31 1rg6 n TYR 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1rg6 n SER 41 N 0.14 2.25 -0.34 9.48 2.88 -1.26 -4.96 113.62 121.82 1rg6 n SER 41 Ca 0.07 -2.59 -0.04 0.00 -1.33 0.00 0.00 58.87 54.98 1rg6 n SER 41 Cb 0.40 -0.28 0.09 0.00 -0.75 0.00 0.00 64.21 63.67 1rg6 n SER 41 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1rg6 h MET 42 N 0.00 1.26 -0.37 -1.46 2.86 -1.94 -2.50 114.93 112.78 1rg6 h MET 42 Ca -0.28 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.04 1rg6 h MET 42 Cb 1.20 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 1rg6 h MET 42 CO 0.42 0.93 -0.41 -0.44 1.06 0.00 0.00 176.91 178.47 1rg6 h ASP 43 N 1.27 1.00 -0.82 1.22 3.32 -2.00 -3.12 116.42 117.30 1rg6 h ASP 43 Ca 0.32 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1rg6 h ASP 43 Cb 0.03 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1rg6 h ASP 43 CO -0.05 1.28 0.46 0.44 -1.72 0.00 0.00 179.24 179.65 1rg6 h ASP 44 N 0.75 1.02 0.35 6.45 3.32 -1.88 -2.16 116.42 124.27 1rg6 h ASP 44 Ca 0.05 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1rg6 h ASP 44 Cb 1.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1rg6 h ASP 44 CO 0.10 0.81 -0.37 0.25 -1.72 0.00 0.00 179.24 178.31 1rg6 h LEU 45 N 1.15 0.03 -0.35 1.55 5.85 -1.43 -3.07 115.31 119.03 1rg6 h LEU 45 Ca 0.29 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1rg6 h LEU 45 Cb 0.01 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1rg6 h LEU 45 CO -0.05 0.39 0.12 0.00 -0.34 0.00 0.00 178.44 178.57 1rg6 h ALA 46 N 1.61 0.41 -0.33 1.25 0.00 -1.33 0.12 119.26 120.99 1rg6 h ALA 46 Ca -0.00 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1rg6 h ALA 46 Cb 0.66 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rg6 h ALA 46 CO 0.05 -0.27 0.48 1.03 0.00 0.00 0.00 179.25 180.54 1rg6 h SER 47 N 0.27 0.00 0.00 0.00 0.87 -1.57 0.25 113.55 113.37 1rg6 h SER 47 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1rg6 h SER 47 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1rg6 h SER 47 CO -0.17 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.02 1rg6 n LEU 48 N -3.42 0.00 0.00 2.23 0.00 0.03 -4.82 117.00 111.02 1rg6 n LEU 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1rg6 n LEU 48 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.04 1rg6 n LEU 48 CO 0.22 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.90 1rg6 n LYS 49 N -0.78 -0.02 -2.68 1.96 5.02 0.88 -4.74 118.16 117.80 1rg6 n LYS 49 Ca 0.08 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.99 1rg6 n LYS 49 Cb 0.04 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.27 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 -3.31 3.96 0.87 -0.18 1.01 -1.24 -5.04 121.20 117.27 1rg6 s ILE 50 Ca 0.00 1.77 -0.12 0.00 0.00 0.00 0.00 60.65 62.30 1rg6 s ILE 50 Cb 0.00 -4.04 0.11 0.00 0.01 0.00 0.00 42.46 38.54 1rg6 s ILE 50 CO 0.00 0.27 1.12 -2.16 0.00 0.00 0.00 174.94 174.17 1rg6 s PRO 51 N -1.75 1.49 0.42 2.79 0.04 -1.26 -4.64 135.00 132.08 1rg6 s PRO 51 Ca 0.48 0.40 0.18 0.00 0.04 0.00 0.00 61.00 62.10 1rg6 s PRO 51 Cb -0.24 -1.87 0.93 0.00 0.04 0.00 0.00 34.50 33.37 1rg6 s PRO 51 CO 0.30 -1.98 1.89 1.49 0.04 0.00 0.00 177.00 178.74 1rg6 h GLU 52 N -1.34 0.00 -0.01 4.56 4.81 -1.99 -2.45 114.58 118.15 1rg6 h GLU 52 Ca -0.49 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1rg6 h GLU 52 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1rg6 h GLU 52 CO 0.61 0.29 0.01 0.37 -0.73 0.00 0.00 179.01 179.56 1rg6 h GLN 53 N 0.00 0.02 0.00 1.92 4.15 -2.02 -1.83 115.11 117.34 1rg6 h GLN 53 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1rg6 h GLN 53 Cb 0.59 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1rg6 h GLN 53 CO 0.04 0.02 -1.18 1.19 -1.93 0.00 0.00 178.83 176.96 1rg6 n PHE 54 N -4.53 0.01 -0.12 3.99 3.72 -1.00 -4.01 117.46 115.52 1rg6 n PHE 54 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 1rg6 n PHE 54 Cb 0.09 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 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 0.94 0.00 -1.08 3.08 -0.88 -2.55 114.38 113.89 1rg6 h ARG 55 Ca 0.00 -0.50 -0.19 0.00 0.07 0.00 0.00 59.98 59.36 1rg6 h ARG 55 Cb 0.61 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1rg6 h ARG 55 CO 0.00 1.15 -1.05 1.12 -1.07 0.00 0.00 179.97 180.12 1rg6 h HIS 56 N 0.77 0.00 -0.18 3.04 2.07 -1.75 -2.91 115.15 116.19 1rg6 h HIS 56 Ca 0.06 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.50 1rg6 h HIS 56 Cb 0.98 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.95 1rg6 h HIS 56 CO 0.06 0.83 -0.22 0.00 -3.07 0.00 0.00 177.93 175.54 1rg6 h ALA 57 N 1.17 0.27 -0.19 6.11 0.00 -1.69 -2.58 119.26 122.36 1rg6 h ALA 57 Ca -0.07 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1rg6 h ALA 57 Cb 1.70 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1rg6 h ALA 57 CO 0.10 0.22 -0.68 0.82 0.00 0.00 0.00 179.25 179.70 1rg6 h ILE 58 N 0.12 1.28 -0.69 0.00 2.04 -1.59 -3.20 117.51 115.47 1rg6 h ILE 58 Ca 0.02 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.01 1rg6 h ILE 58 Cb 0.77 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1rg6 h ILE 58 CO 0.05 0.60 0.46 -0.25 0.00 0.00 0.00 178.15 179.01 1rg6 h TRP 59 N 0.53 0.87 -0.99 1.37 7.01 -1.56 -2.67 115.95 120.50 1rg6 h TRP 59 Ca -0.03 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1rg6 h TRP 59 Cb 1.31 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 28.02 1rg6 h TRP 59 CO 0.09 0.54 0.65 -0.22 -2.79 0.00 0.00 178.44 176.71 1rg6 h LYS 60 N 0.93 1.31 0.00 2.65 1.63 -1.45 -2.26 116.57 119.38 1rg6 h LYS 60 Ca 0.26 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1rg6 h LYS 60 Cb -0.09 -0.29 -0.01 0.00 -0.60 0.00 0.00 32.23 31.23 1rg6 h LYS 60 CO -0.06 0.87 -0.42 0.78 -3.45 0.00 0.00 179.45 177.18 1rg6 h GLY 61 N 1.35 0.00 1.10 5.01 0.00 -1.56 -3.08 103.07 105.88 1rg6 h GLY 61 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.57 1rg6 h GLY 61 CO -0.08 0.00 -0.14 -2.22 0.00 0.00 0.00 176.54 174.11 1rg6 h ILE 62 N 0.00 1.27 0.08 2.60 2.04 -1.36 -2.95 117.51 119.20 1rg6 h ILE 62 Ca -0.00 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1rg6 h ILE 62 Cb 0.76 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1rg6 h ILE 62 CO 0.05 0.46 -0.04 -0.07 0.00 0.00 0.00 178.15 178.55 1rg6 h LEU 63 N 0.91 -0.10 -1.20 1.44 3.38 -1.43 -2.69 115.31 115.62 1rg6 h LEU 63 Ca 0.13 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1rg6 h LEU 63 Cb 0.71 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1rg6 h LEU 63 CO 0.05 -0.07 0.54 0.44 0.09 0.00 0.00 178.44 179.49 1rg6 h ASP 64 N -0.11 0.94 -1.01 -0.43 3.32 -1.61 -2.17 116.42 115.34 1rg6 h ASP 64 Ca -0.01 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1rg6 h ASP 64 Cb 0.09 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1rg6 h ASP 64 CO 0.02 0.68 0.67 -0.74 -1.72 0.00 0.00 179.24 178.15 1rg6 h HIS 65 N 1.11 1.27 -0.92 4.55 2.76 -1.32 -1.87 115.15 120.72 1rg6 h HIS 65 Ca 0.30 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1rg6 h HIS 65 Cb -0.13 -0.43 -0.04 0.00 1.55 0.00 0.00 27.41 28.36 1rg6 h HIS 65 CO 0.00 0.80 0.57 -0.09 -1.30 0.00 0.00 177.93 177.91 1rg6 h ARG 66 N 1.36 1.23 -0.66 5.26 2.43 -1.08 -2.29 114.38 120.63 1rg6 h ARG 66 Ca 0.37 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1rg6 h ARG 66 Cb -0.16 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.10 1rg6 h ARG 66 CO -0.08 0.85 0.29 1.96 -1.51 0.00 0.00 179.97 181.48 1rg6 h GLN 67 N 1.26 0.95 -0.05 0.20 4.20 -1.17 -2.42 115.11 118.08 1rg6 h GLN 67 Ca 0.33 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 1rg6 h GLN 67 Cb -0.08 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1rg6 h GLN 67 CO -0.07 0.75 -0.50 -0.07 -0.67 0.00 0.00 178.83 178.28 1rg6 h LEU 68 N 0.94 0.13 -9.10 1.46 3.38 -1.04 -3.42 115.31 107.67 1rg6 h LEU 68 Ca 0.23 -0.06 -0.60 0.00 0.09 0.00 0.00 57.88 57.53 1rg6 h LEU 68 Cb 0.14 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 1rg6 h LEU 68 CO -0.03 0.61 0.00 -2.28 0.09 0.00 0.00 178.44 176.84 1rg6 s HIS 69 N -3.93 3.36 0.41 1.13 2.46 -0.91 -5.04 115.29 112.76 1rg6 s HIS 69 Ca -0.03 0.79 -0.25 0.00 0.47 0.00 0.00 55.06 56.04 1rg6 s HIS 69 Cb 0.13 -2.71 -0.08 0.00 -0.13 0.00 0.00 32.58 29.79 1rg6 s HIS 69 CO 0.76 -0.15 1.18 -2.00 -2.47 0.00 0.00 174.74 172.07 1rg6 s GLU 70 N 1.81 4.02 0.00 2.88 2.12 -1.26 -4.88 118.70 123.39 1rg6 s GLU 70 Ca 0.25 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.43 1rg6 s GLU 70 Cb -0.16 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.58 1rg6 s GLU 70 CO 0.10 -0.35 0.00 0.34 -0.54 0.00 0.00 175.26 174.80