#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g43 h ASP 2 N 0.00 0.43 0.45 0.00 3.58 -2.04 0.16 116.42 118.99 3g43 h ASP 2 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3g43 h ASP 2 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3g43 h ASP 2 CO 0.00 0.90 0.00 1.67 -2.88 0.00 0.00 179.24 178.93 3g43 n GLN 3 N -3.93 0.04 -4.00 0.28 -0.06 -1.26 -4.52 117.38 103.94 3g43 n GLN 3 Ca -0.03 0.34 -0.32 0.00 -2.00 0.00 0.00 57.00 54.99 3g43 n GLN 3 Cb 0.60 -1.59 -0.06 0.00 -4.06 0.00 0.00 30.24 25.13 3g43 n GLN 3 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3g43 s LEU 4 N -3.35 4.08 0.45 1.69 2.96 0.54 -5.10 118.68 119.95 3g43 s LEU 4 Ca 0.05 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 3g43 s LEU 4 Cb 0.08 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.22 3g43 s LEU 4 CO 0.25 0.22 0.64 0.42 -1.32 0.00 0.00 176.35 176.56 3g43 s THR 5 N -1.35 3.34 0.39 3.68 -4.23 -1.26 -4.56 115.64 111.65 3g43 s THR 5 Ca 0.28 -0.77 0.15 0.00 -1.18 0.00 0.00 61.69 60.17 3g43 s THR 5 Cb -0.12 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.66 3g43 s THR 5 CO 0.20 -0.11 1.90 -0.08 -0.54 0.00 0.00 174.62 175.99 3g43 h GLU 6 N 0.45 0.00 -0.04 3.99 4.81 -1.95 -1.24 114.58 120.59 3g43 h GLU 6 Ca -0.43 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.56 3g43 h GLU 6 Cb 1.27 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.66 3g43 h GLU 6 CO 0.52 0.29 -0.93 0.93 -0.73 0.00 0.00 179.01 179.09 3g43 h GLU 7 N 0.00 0.59 -0.31 1.92 3.07 -1.99 -2.61 114.58 115.24 3g43 h GLU 7 Ca -0.00 -0.58 -0.04 0.00 -0.50 0.00 0.00 59.36 58.23 3g43 h GLU 7 Cb 0.53 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3g43 h GLU 7 CO 0.04 1.20 0.04 1.96 -1.40 0.00 0.00 179.01 180.85 3g43 h GLN 8 N 0.35 0.52 -0.90 2.33 4.20 -1.82 -0.95 115.11 118.85 3g43 h GLN 8 Ca -0.09 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.52 3g43 h GLN 8 Cb 1.56 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.23 3g43 h GLN 8 CO 0.17 0.63 0.59 0.82 -0.67 0.00 0.00 178.83 180.37 3g43 h ILE 9 N 0.34 1.12 -0.74 2.54 2.04 -1.28 0.17 117.51 121.70 3g43 h ILE 9 Ca 0.09 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3g43 h ILE 9 Cb 0.37 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3g43 h ILE 9 CO 0.01 0.20 0.22 0.00 0.00 0.00 0.00 178.15 178.58 3g43 h ALA 10 N 1.49 0.97 -0.20 1.87 0.00 -1.05 0.76 119.26 123.10 3g43 h ALA 10 Ca 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3g43 h ALA 10 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3g43 h ALA 10 CO -0.12 0.65 0.06 1.49 0.00 0.00 0.00 179.25 181.33 3g43 h GLU 11 N 1.10 0.32 -0.89 0.00 4.57 0.26 -1.79 114.58 118.14 3g43 h GLU 11 Ca 0.24 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 3g43 h GLU 11 Cb 0.32 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3g43 h GLU 11 CO -0.01 0.44 0.47 0.74 -1.18 0.00 0.00 179.01 179.47 3g43 h PHE 12 N 0.15 1.24 -0.74 0.92 0.05 -0.46 0.55 116.94 118.66 3g43 h PHE 12 Ca 0.06 -0.04 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 3g43 h PHE 12 Cb 0.26 -0.39 -0.03 0.00 2.00 0.00 0.00 35.95 37.78 3g43 h PHE 12 CO 0.01 0.87 0.38 -0.22 -0.18 0.00 0.00 178.31 179.17 3g43 h LYS 13 N 1.26 1.04 -0.53 1.51 1.63 -0.70 0.20 116.57 120.98 3g43 h LYS 13 Ca 0.31 -0.14 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 3g43 h LYS 13 Cb 0.05 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 3g43 h LYS 13 CO -0.05 0.80 -0.01 1.49 -3.45 0.00 0.00 179.45 178.23 3g43 h GLU 14 N 1.02 0.95 -0.85 1.90 4.81 -0.67 -1.71 114.58 120.04 3g43 h GLU 14 Ca 0.26 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3g43 h GLU 14 Cb 0.08 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3g43 h GLU 14 CO -0.04 0.96 0.55 0.00 -0.73 0.00 0.00 179.01 179.76 3g43 h ALA 15 N 0.95 1.11 -0.58 2.92 0.00 -0.13 -1.77 119.26 121.76 3g43 h ALA 15 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3g43 h ALA 15 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3g43 h ALA 15 CO 0.03 0.41 0.23 0.35 0.00 0.00 0.00 179.25 180.26 3g43 h PHE 16 N 1.08 0.85 0.00 0.00 3.04 -0.21 -1.61 116.94 120.08 3g43 h PHE 16 Ca 0.33 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 3g43 h PHE 16 Cb -0.02 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 3g43 h PHE 16 CO -0.02 0.66 -0.18 0.77 -2.02 0.00 0.00 178.31 177.52 3g43 h SER 17 N 0.83 0.00 0.56 0.41 0.02 -0.44 0.14 113.55 115.07 3g43 h SER 17 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3g43 h SER 17 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3g43 h SER 17 CO -0.02 0.18 0.00 -0.07 -1.14 0.00 0.00 176.83 175.78 3g43 h LEU 18 N 0.00 0.00 0.00 5.07 3.38 -0.93 -3.18 115.31 119.66 3g43 h LEU 18 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 3g43 h LEU 18 Cb 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3g43 h LEU 18 CO 0.02 0.00 -1.79 0.49 0.09 0.00 0.00 178.44 177.25 3g43 n PHE 19 N -2.48 0.00 -2.28 1.13 3.72 -0.70 -4.75 117.46 112.10 3g43 n PHE 19 Ca 0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 3g43 n PHE 19 Cb 0.19 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 3g43 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3g43 n ASP 20 N -3.04 4.57 0.00 4.37 4.64 -0.05 -4.69 116.55 122.35 3g43 n ASP 20 Ca -0.25 -2.90 -0.09 0.00 -1.38 0.00 0.00 54.79 50.16 3g43 n ASP 20 Cb 0.75 -1.70 -0.03 0.00 -1.04 0.00 0.00 41.12 39.10 3g43 n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3g43 h LYS 21 N 6.91 -0.18 0.00 -0.67 6.56 -1.86 -1.95 116.57 125.38 3g43 h LYS 21 Ca 0.49 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 3g43 h LYS 21 Cb 0.78 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 3g43 h LYS 21 CO 1.61 -0.12 0.00 -0.40 -2.06 0.00 0.00 179.45 178.48 3g43 n ASP 22 N -5.30 0.00 -3.38 0.86 3.85 -1.26 -4.91 116.55 106.41 3g43 n ASP 22 Ca -0.03 -0.34 -0.24 0.00 -0.71 0.00 0.00 54.79 53.48 3g43 n ASP 22 Cb 0.21 -0.19 0.06 0.00 -1.35 0.00 0.00 41.12 39.85 3g43 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g43 n GLY 23 N 0.78 -0.54 1.02 6.12 0.00 -0.73 -4.89 105.19 106.95 3g43 n GLY 23 Ca 0.15 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.45 3g43 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g43 n ASP 24 N -2.79 2.95 0.00 1.61 5.75 -1.26 -4.92 116.55 117.89 3g43 n ASP 24 Ca -0.04 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 3g43 n ASP 24 Cb 0.58 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3g43 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g43 n GLY 25 N 1.22 0.77 3.00 6.12 0.00 -1.26 -5.03 105.19 110.00 3g43 n GLY 25 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3g43 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g43 s THR 26 N -2.91 0.10 -0.23 2.61 -4.23 -1.26 -3.91 115.64 105.80 3g43 s THR 26 Ca 0.00 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.66 3g43 s THR 26 Cb 0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 3g43 s THR 26 CO 0.00 -0.43 0.04 -0.63 -0.54 0.00 0.00 174.62 173.06 3g43 s ILE 27 N -1.32 4.20 0.41 2.99 1.01 0.11 -4.71 121.20 123.90 3g43 s ILE 27 Ca -0.14 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.37 3g43 s ILE 27 Cb -0.09 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3g43 s ILE 27 CO -0.00 0.38 0.54 0.42 0.00 0.00 0.00 174.94 176.28 3g43 s THR 28 N 1.29 3.09 0.37 2.92 -4.23 -1.26 -1.43 115.64 116.40 3g43 s THR 28 Ca 0.04 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 3g43 s THR 28 Cb -0.15 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.85 3g43 s THR 28 CO 0.02 -0.02 1.96 0.71 -0.54 0.00 0.00 174.62 176.75 3g43 h THR 29 N 0.71 1.16 -0.11 3.99 1.35 -1.91 -1.29 112.91 116.80 3g43 h THR 29 Ca -0.41 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 3g43 h THR 29 Cb 1.28 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3g43 h THR 29 CO 0.47 0.20 0.04 0.11 -0.25 0.00 0.00 175.52 176.09 3g43 h LYS 30 N 0.49 0.17 -0.50 4.72 1.57 -1.99 0.14 116.57 121.18 3g43 h LYS 30 Ca 0.12 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3g43 h LYS 30 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3g43 h LYS 30 CO -0.01 0.29 0.12 0.93 -0.57 0.00 0.00 179.45 180.21 3g43 h GLU 31 N 0.01 0.75 -0.27 3.15 5.08 -1.78 -1.16 114.58 120.37 3g43 h GLU 31 Ca 0.04 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3g43 h GLU 31 Cb 0.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3g43 h GLU 31 CO -0.00 0.68 0.04 1.25 -1.00 0.00 0.00 179.01 179.98 3g43 h LEU 32 N 0.73 0.43 -1.14 1.33 5.85 -0.92 -2.60 115.31 118.98 3g43 h LEU 32 Ca 0.16 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3g43 h LEU 32 Cb 0.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3g43 h LEU 32 CO -0.00 0.59 0.37 1.23 -0.34 0.00 0.00 178.44 180.28 3g43 h GLY 33 N 0.25 1.03 1.22 3.75 0.00 -0.31 -0.59 103.07 108.43 3g43 h GLY 33 Ca 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3g43 h GLY 33 CO 0.01 0.44 0.28 -0.84 0.00 0.00 0.00 176.54 176.43 3g43 h THR 34 N 0.97 1.23 -0.05 4.70 2.02 -0.99 0.03 112.91 120.82 3g43 h THR 34 Ca 0.25 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.56 3g43 h THR 34 Cb 0.04 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3g43 h THR 34 CO -0.04 0.29 -0.55 0.58 0.37 0.00 0.00 175.52 176.17 3g43 h VAL 35 N 0.99 1.40 -0.92 3.16 2.07 -1.08 -2.74 116.25 119.12 3g43 h VAL 35 Ca 0.23 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.82 3g43 h VAL 35 Cb 0.18 2.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 3g43 h VAL 35 CO -0.02 0.57 0.61 0.24 0.02 0.00 0.00 177.57 178.99 3g43 h MET 36 N 0.00 1.20 -0.09 1.57 2.86 -0.82 -1.31 114.93 118.34 3g43 h MET 36 Ca -0.05 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.40 3g43 h MET 36 Cb 1.23 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 3g43 h MET 36 CO 0.11 0.79 -0.45 0.00 1.06 0.00 0.00 176.91 178.43 3g43 h ARG 37 N 1.24 0.20 0.00 1.72 3.08 -1.00 -0.02 114.38 119.60 3g43 h ARG 37 Ca 0.34 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3g43 h ARG 37 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3g43 h ARG 37 CO -0.08 0.61 -0.16 0.66 -1.07 0.00 0.00 179.97 179.94 3g43 h SER 38 N 0.16 0.00 -0.45 7.04 4.64 -0.96 -1.73 113.55 122.26 3g43 h SER 38 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3g43 h SER 38 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3g43 h SER 38 CO 0.07 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.36 3g43 n LEU 39 N -3.39 2.53 0.00 5.97 4.32 -0.68 -4.91 117.00 120.84 3g43 n LEU 39 Ca -0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.72 3g43 n LEU 39 Cb 0.35 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3g43 n LEU 39 CO 0.31 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 3g43 n GLY 40 N 1.18 0.49 3.71 -0.72 0.00 -0.65 -5.05 105.19 104.15 3g43 n GLY 40 Ca 0.15 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3g43 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g43 s GLN 41 N -1.22 2.58 -0.46 1.61 -0.21 -0.07 -5.00 119.66 116.88 3g43 s GLN 41 Ca 0.00 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.34 3g43 s GLN 41 Cb 0.00 -2.44 0.15 0.00 1.00 0.00 0.00 33.01 31.72 3g43 s GLN 41 CO 0.00 0.45 0.29 -0.80 -2.12 0.00 0.00 175.29 173.11 3g43 s ASN 42 N -3.13 3.38 0.29 5.90 0.01 -1.26 -3.37 114.94 116.75 3g43 s ASN 42 Ca 0.29 -2.82 -0.19 0.00 -0.71 0.00 0.00 52.86 49.42 3g43 s ASN 42 Cb -0.09 -0.96 -0.09 0.00 0.41 0.00 0.00 41.25 40.52 3g43 s ASN 42 CO 0.21 -0.23 0.78 -2.16 -1.51 0.00 0.00 177.10 174.19 3g43 s PRO 43 N 0.13 4.23 0.45 -0.60 0.04 -1.26 -5.07 135.00 132.92 3g43 s PRO 43 Ca 0.21 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 3g43 s PRO 43 Cb -0.17 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.64 3g43 s PRO 43 CO -0.05 0.26 0.83 -0.08 0.04 0.00 0.00 177.00 178.00 3g43 s THR 44 N -1.74 4.74 0.44 1.26 -1.32 -1.26 -4.91 115.64 112.85 3g43 s THR 44 Ca 0.49 0.72 0.24 0.00 -1.21 0.00 0.00 61.69 61.93 3g43 s THR 44 Cb -0.14 -3.75 0.44 0.00 -1.51 0.00 0.00 72.50 67.53 3g43 s THR 44 CO 0.19 -0.63 1.77 -0.08 -2.21 0.00 0.00 174.62 173.67 3g43 h GLU 45 N 0.98 0.26 -0.09 7.08 4.22 -2.00 -0.03 114.58 125.00 3g43 h GLU 45 Ca -0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 58.93 3g43 h GLU 45 Cb 1.19 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3g43 h GLU 45 CO 0.63 0.17 -0.03 0.00 -2.18 0.00 0.00 179.01 177.61 3g43 h ALA 46 N 1.57 0.13 -0.24 2.92 0.00 -2.00 -2.69 119.26 118.95 3g43 h ALA 46 Ca 0.60 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.30 3g43 h ALA 46 Cb 1.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3g43 h ALA 46 CO -0.23 -0.14 0.16 0.93 0.00 0.00 0.00 179.25 179.98 3g43 h GLU 47 N -0.15 0.25 -0.26 0.00 5.08 -1.39 -0.76 114.58 117.36 3g43 h GLU 47 Ca 0.02 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3g43 h GLU 47 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3g43 h GLU 47 CO 0.01 0.17 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.92 3g43 h LEU 48 N 0.26 0.62 -0.39 1.33 3.38 -1.31 -1.81 115.31 117.38 3g43 h LEU 48 Ca 0.10 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3g43 h LEU 48 Cb 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3g43 h LEU 48 CO -0.02 0.93 0.25 1.56 0.09 0.00 0.00 178.44 181.26 3g43 h GLN 49 N 0.30 0.52 -0.89 1.13 1.08 -1.02 -1.03 115.11 115.20 3g43 h GLN 49 Ca 0.05 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 3g43 h GLN 49 Cb 0.74 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 3g43 h GLN 49 CO 0.05 0.36 0.58 0.22 -0.95 0.00 0.00 178.83 179.09 3g43 h ASP 50 N 0.53 0.90 -0.32 1.46 3.58 -1.09 0.94 116.42 122.41 3g43 h ASP 50 Ca 0.14 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 3g43 h ASP 50 Cb -0.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3g43 h ASP 50 CO -0.03 0.58 -0.05 -0.03 -2.88 0.00 0.00 179.24 176.83 3g43 h MET 51 N 1.02 0.60 -0.08 0.28 4.05 -0.61 -2.66 114.93 117.53 3g43 h MET 51 Ca 0.38 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3g43 h MET 51 Cb 0.19 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3g43 h MET 51 CO -0.14 0.76 0.05 0.82 0.23 0.00 0.00 176.91 178.64 3g43 h ILE 52 N 0.38 1.03 -0.41 1.77 1.08 -0.37 -2.44 117.51 118.55 3g43 h ILE 52 Ca 0.08 -0.06 0.12 0.00 -0.39 0.00 0.00 64.86 64.62 3g43 h ILE 52 Cb 0.53 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3g43 h ILE 52 CO 0.03 0.02 0.35 0.78 -0.69 0.00 0.00 178.15 178.64 3g43 h ASN 53 N 0.10 0.00 -0.59 1.72 2.35 -0.75 -0.56 115.58 117.86 3g43 h ASN 53 Ca 0.03 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 3g43 h ASN 53 Cb -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3g43 h ASN 53 CO -0.01 0.00 0.39 -0.33 -1.65 0.00 0.00 177.43 175.84 3g43 h GLU 54 N 0.00 0.48 0.00 0.81 5.08 -1.08 -3.26 114.58 116.62 3g43 h GLU 54 Ca 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3g43 h GLU 54 Cb 0.89 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3g43 h GLU 54 CO -0.00 0.32 0.00 1.33 -1.00 0.00 0.00 179.01 179.66 3g43 n VAL 55 N -4.48 0.00 -2.06 3.13 0.24 -0.69 -4.93 118.33 109.56 3g43 n VAL 55 Ca 0.09 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.34 61.66 3g43 n VAL 55 Cb 0.29 1.31 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 3g43 n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3g43 n ASP 56 N -0.06 3.91 -0.07 -1.34 2.03 -0.30 -4.78 116.55 115.94 3g43 n ASP 56 Ca 0.00 -2.82 0.07 0.00 0.52 0.00 0.00 54.79 52.57 3g43 n ASP 56 Cb 0.08 -1.63 0.43 0.00 -0.72 0.00 0.00 41.12 39.28 3g43 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3g43 h ALA 57 N 7.74 1.81 -0.10 -1.67 0.00 -1.89 -1.94 119.26 123.20 3g43 h ALA 57 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3g43 h ALA 57 Cb 0.80 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3g43 h ALA 57 CO 1.58 0.11 0.00 -0.40 0.00 0.00 0.00 179.25 180.54 3g43 n ASP 58 N -4.47 1.86 -2.17 0.00 5.68 -1.26 -4.95 116.55 111.24 3g43 n ASP 58 Ca 0.07 -1.67 -0.21 0.00 -0.50 0.00 0.00 54.79 52.49 3g43 n ASP 58 Cb 0.20 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 3g43 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g43 n GLY 59 N 1.20 0.11 0.49 6.12 0.00 -0.73 -4.89 105.19 107.50 3g43 n GLY 59 Ca 0.17 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3g43 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g43 n ASN 60 N -1.79 1.48 0.00 1.61 6.94 -1.26 -4.93 115.26 117.31 3g43 n ASN 60 Ca -0.24 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 3g43 n ASN 60 Cb 0.68 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 3g43 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g43 n GLY 61 N 1.09 2.49 3.46 4.83 0.00 -1.26 -5.04 105.19 110.75 3g43 n GLY 61 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3g43 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g43 s THR 62 N -2.34 1.40 -0.23 2.61 -4.23 -1.26 -4.77 115.64 106.81 3g43 s THR 62 Ca 0.00 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 3g43 s THR 62 Cb 0.00 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 3g43 s THR 62 CO 0.00 -0.09 0.03 -0.63 -0.54 0.00 0.00 174.62 173.39 3g43 s ILE 63 N -3.16 4.04 0.55 2.99 1.01 -0.51 -4.78 121.20 121.35 3g43 s ILE 63 Ca 0.34 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.80 3g43 s ILE 63 Cb 0.07 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.75 3g43 s ILE 63 CO 0.15 0.38 0.76 1.51 0.00 0.00 0.00 174.94 177.74 3g43 s ASP 64 N 1.44 5.15 0.17 3.58 1.47 -1.26 0.08 116.67 127.29 3g43 s ASP 64 Ca 0.05 -0.62 -0.13 0.00 1.18 0.00 0.00 52.55 53.03 3g43 s ASP 64 Cb -0.15 -0.06 0.06 0.00 -0.34 0.00 0.00 42.92 42.44 3g43 s ASP 64 CO 0.02 -1.26 1.77 0.15 0.68 0.00 0.00 175.17 176.53 3g43 h PHE 65 N 0.19 0.76 -0.95 2.11 3.04 -2.00 -1.40 116.94 118.69 3g43 h PHE 65 Ca -0.34 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 61.68 3g43 h PHE 65 Cb 1.28 -0.24 -0.07 0.00 2.56 0.00 0.00 35.95 39.48 3g43 h PHE 65 CO 0.33 0.56 0.59 -1.35 -2.02 0.00 0.00 178.31 176.43 3g43 h PRO 66 N 0.73 0.98 -0.41 6.41 0.11 -1.95 0.60 132.00 138.47 3g43 h PRO 66 Ca 0.19 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 3g43 h PRO 66 Cb 0.06 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3g43 h PRO 66 CO -0.03 0.65 -0.03 0.93 -0.21 0.00 0.00 178.00 179.31 3g43 h GLU 67 N 1.01 0.74 -0.06 1.05 5.08 -1.82 -0.11 114.58 120.47 3g43 h GLU 67 Ca 0.44 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3g43 h GLU 67 Cb 0.32 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g43 h GLU 67 CO -0.22 0.84 0.04 0.35 -1.00 0.00 0.00 179.01 179.01 3g43 h PHE 68 N 0.56 0.07 -0.95 4.33 3.57 -0.12 -2.44 116.94 121.97 3g43 h PHE 68 Ca 0.11 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3g43 h PHE 68 Cb 0.52 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 3g43 h PHE 68 CO 0.04 0.05 0.63 1.25 -2.23 0.00 0.00 178.31 178.05 3g43 h LEU 69 N 0.07 1.08 -0.62 0.59 5.85 0.27 -1.20 115.31 121.36 3g43 h LEU 69 Ca 0.02 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3g43 h LEU 69 Cb 0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3g43 h LEU 69 CO -0.00 0.78 0.37 0.74 -0.34 0.00 0.00 178.44 179.98 3g43 h THR 70 N 1.27 1.06 -0.15 1.05 2.02 -0.74 0.85 112.91 118.27 3g43 h THR 70 Ca 0.35 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3g43 h THR 70 Cb -0.13 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3g43 h THR 70 CO -0.08 0.13 -0.05 -0.03 0.37 0.00 0.00 175.52 175.86 3g43 h MET 71 N 0.72 0.31 -0.28 6.66 1.85 -0.99 -2.61 114.93 120.60 3g43 h MET 71 Ca 0.25 -0.12 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 3g43 h MET 71 Cb 0.05 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 3g43 h MET 71 CO -0.11 0.60 0.16 0.52 -0.40 0.00 0.00 176.91 177.68 3g43 h MET 72 N -0.01 0.38 -0.94 0.39 2.07 -0.96 0.24 114.93 116.10 3g43 h MET 72 Ca 0.04 -0.04 0.06 0.00 -2.07 0.00 0.00 59.70 57.69 3g43 h MET 72 Cb 0.50 -0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 30.09 3g43 h MET 72 CO 0.02 0.32 0.61 0.00 1.07 0.00 0.00 176.91 178.93 3g43 h ALA 73 N 1.05 1.45 0.02 6.32 0.00 -0.88 0.41 119.26 127.63 3g43 h ALA 73 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g43 h ALA 73 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3g43 h ALA 73 CO -0.02 0.42 -0.01 -0.09 0.00 0.00 0.00 179.25 179.55 3g43 h ARG 74 N 1.11 -0.02 -0.01 0.00 2.43 -1.04 -3.34 114.38 113.51 3g43 h ARG 74 Ca 0.40 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.38 3g43 h ARG 74 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3g43 h ARG 74 CO -0.15 0.51 -0.83 0.87 -1.51 0.00 0.00 179.97 178.87 3g43 h LYS 75 N -0.57 0.22 -5.98 0.20 1.79 -0.34 -3.40 116.57 108.49 3g43 h LYS 75 Ca -0.00 -0.22 -0.61 0.00 -2.18 0.00 0.00 60.65 57.64 3g43 h LYS 75 Cb 0.54 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.14 3g43 h LYS 75 CO 0.00 0.93 1.43 1.41 -1.08 0.00 0.00 179.45 182.14 3g43 s MET 76 N -3.31 3.60 -0.10 3.15 1.75 0.14 -4.97 119.30 119.57 3g43 s MET 76 Ca -0.03 -1.21 -0.27 0.00 -1.25 0.00 0.00 55.69 52.93 3g43 s MET 76 Cb 0.10 -5.31 -0.02 0.00 2.84 0.00 0.00 34.83 32.44 3g43 s MET 76 CO 0.83 -2.16 0.87 0.15 -0.65 0.00 0.00 175.02 174.06 3g43 s LYS 77 N 4.69 4.41 -0.59 4.11 1.02 -1.26 -4.84 119.74 127.28 3g43 s LYS 77 Ca 0.45 1.15 -0.27 0.00 0.02 0.00 0.00 55.97 57.31 3g43 s LYS 77 Cb -0.01 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 3g43 s LYS 77 CO -0.10 -0.17 1.14 0.34 -0.92 0.00 0.00 175.35 175.64 3g43 s ASP 78 N 1.03 6.40 -1.09 2.83 -1.08 -1.26 -4.93 116.67 118.56 3g43 s ASP 78 Ca 0.43 -0.06 -0.20 0.00 -0.52 0.00 0.00 52.55 52.20 3g43 s ASP 78 Cb -0.18 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.68 3g43 s ASP 78 CO 0.18 -1.46 1.96 1.07 0.52 0.00 0.00 175.17 177.44 3g43 n THR 79 N 6.53 2.46 -0.03 1.71 5.66 -1.26 -4.37 114.28 124.98 3g43 n THR 79 Ca 0.06 -2.34 0.00 0.00 -3.05 0.00 0.00 64.05 58.73 3g43 n THR 79 Cb 0.49 -2.34 -0.09 0.00 -1.55 0.00 0.00 70.33 66.84 3g43 n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3g43 n ASP 80 N 9.22 2.34 -4.71 1.09 5.75 -1.26 -4.63 116.55 124.34 3g43 n ASP 80 Ca 0.49 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.83 3g43 n ASP 80 Cb 0.43 1.15 -0.02 0.00 -1.03 0.00 0.00 41.12 41.64 3g43 n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3g43 n SER 81 N -2.15 3.34 -0.21 -1.12 2.88 -1.26 -4.79 113.62 110.31 3g43 n SER 81 Ca -0.10 1.14 0.26 0.00 -1.33 0.00 0.00 58.87 58.84 3g43 n SER 81 Cb 0.58 -1.51 0.66 0.00 -0.75 0.00 0.00 64.21 63.19 3g43 n SER 81 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3g43 h GLU 82 N 4.73 0.12 -0.30 -1.46 4.22 -2.00 0.35 114.58 120.24 3g43 h GLU 82 Ca -0.46 -0.01 -0.18 0.00 0.08 0.00 0.00 59.36 58.80 3g43 h GLU 82 Cb 1.25 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3g43 h GLU 82 CO 0.79 0.08 -0.51 1.49 -2.18 0.00 0.00 179.01 178.68 3g43 h GLU 83 N 0.13 0.88 -0.44 1.92 4.81 -2.00 -2.39 114.58 117.48 3g43 h GLU 83 Ca 0.45 -0.54 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 3g43 h GLU 83 Cb 1.58 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 3g43 h GLU 83 CO -0.07 1.18 -0.21 0.93 -0.73 0.00 0.00 179.01 180.12 3g43 h GLU 84 N 0.66 0.92 -0.32 1.92 5.08 -0.73 -2.64 114.58 119.48 3g43 h GLU 84 Ca 0.02 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3g43 h GLU 84 Cb 1.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3g43 h GLU 84 CO 0.12 1.06 0.06 0.82 -1.00 0.00 0.00 179.01 180.06 3g43 h ILE 85 N 0.76 1.23 0.17 3.13 2.04 -1.18 -0.99 117.51 122.66 3g43 h ILE 85 Ca 0.10 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3g43 h ILE 85 Cb 0.78 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3g43 h ILE 85 CO 0.06 0.26 -0.46 0.03 0.00 0.00 0.00 178.15 178.04 3g43 h ARG 86 N 0.35 -0.70 -0.57 2.37 2.47 -1.38 0.24 114.38 117.17 3g43 h ARG 86 Ca 0.10 0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.89 3g43 h ARG 86 Cb 0.34 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 3g43 h ARG 86 CO 0.01 -0.47 0.38 1.49 0.56 0.00 0.00 179.97 181.93 3g43 h GLU 87 N -0.73 0.66 -0.24 0.04 4.81 -1.45 -1.47 114.58 116.20 3g43 h GLU 87 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3g43 h GLU 87 Cb 0.73 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3g43 h GLU 87 CO -0.24 0.44 0.11 0.00 -0.73 0.00 0.00 179.01 178.59 3g43 h ALA 88 N 1.67 0.32 0.07 2.92 0.00 -0.19 -2.86 119.26 121.19 3g43 h ALA 88 Ca 0.22 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3g43 h ALA 88 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3g43 h ALA 88 CO -0.06 -0.11 -0.18 0.35 0.00 0.00 0.00 179.25 179.26 3g43 h PHE 89 N 0.26 -0.46 -0.84 0.00 3.57 0.41 -2.70 116.94 117.18 3g43 h PHE 89 Ca 0.08 0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.80 3g43 h PHE 89 Cb 0.14 0.19 -0.13 0.00 2.79 0.00 0.00 35.95 38.95 3g43 h PHE 89 CO -0.02 -0.26 0.22 0.00 -2.23 0.00 0.00 178.31 176.02 3g43 h ARG 90 N -0.32 0.23 0.29 1.11 -0.00 -1.20 0.24 114.38 114.73 3g43 h ARG 90 Ca 0.03 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 3g43 h ARG 90 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.28 3g43 h ARG 90 CO -0.12 0.15 -0.14 0.28 0.00 0.00 0.00 179.97 180.14 3g43 h VAL 91 N 0.24 0.73 -0.33 2.04 2.07 -1.26 -3.06 116.25 116.68 3g43 h VAL 91 Ca 0.51 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.91 3g43 h VAL 91 Cb 0.97 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3g43 h VAL 91 CO -0.61 0.03 0.13 -0.26 0.02 0.00 0.00 177.57 176.89 3g43 h PHE 92 N -0.47 0.24 -0.51 1.57 0.04 -0.95 -3.27 116.94 113.60 3g43 h PHE 92 Ca -0.04 0.02 -0.65 0.00 2.80 0.00 0.00 57.97 60.09 3g43 h PHE 92 Cb 0.35 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 3g43 h PHE 92 CO -0.04 0.11 2.38 -3.47 -0.60 0.00 0.00 178.31 176.69 3g43 n ASP 93 N -5.00 4.28 -0.29 2.17 4.64 0.72 -4.54 116.55 118.53 3g43 n ASP 93 Ca 0.00 -2.86 -0.10 0.00 -1.38 0.00 0.00 54.79 50.45 3g43 n ASP 93 Cb 0.10 -1.68 -0.07 0.00 -1.04 0.00 0.00 41.12 38.43 3g43 n ASP 93 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3g43 h LYS 94 N 7.34 -0.16 -0.01 -0.67 1.79 -1.70 -0.78 116.57 122.39 3g43 h LYS 94 Ca 0.46 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 3g43 h LYS 94 Cb 0.80 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3g43 h LYS 94 CO 1.60 -0.10 0.00 -0.40 -1.08 0.00 0.00 179.45 179.46 3g43 n ASP 95 N -5.34 0.23 -2.69 0.86 5.75 -1.26 -4.91 116.55 109.18 3g43 n ASP 95 Ca 0.01 -1.26 -0.18 0.00 -0.01 0.00 0.00 54.79 53.35 3g43 n ASP 95 Cb 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3g43 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g43 n GLY 96 N 0.94 -0.50 0.41 6.12 0.00 -0.30 -4.84 105.19 107.01 3g43 n GLY 96 Ca 0.19 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3g43 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g43 n ASN 97 N -2.08 1.19 0.00 1.61 6.94 -1.26 -4.89 115.26 116.78 3g43 n ASN 97 Ca -0.15 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3g43 n ASN 97 Cb 0.62 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 3g43 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g43 n GLY 98 N 0.93 0.80 3.06 4.83 0.00 -1.26 -5.04 105.19 108.52 3g43 n GLY 98 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3g43 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g43 s TYR 99 N -3.18 0.91 -0.35 1.61 2.02 -1.26 -3.88 117.35 113.22 3g43 s TYR 99 Ca 0.00 -0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.32 3g43 s TYR 99 Cb 0.00 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 3g43 s TYR 99 CO 0.00 -0.01 0.28 0.42 -1.57 0.00 0.00 175.55 174.67 3g43 s ILE 100 N -0.49 5.25 0.47 2.71 1.01 0.97 -4.72 121.20 126.39 3g43 s ILE 100 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3g43 s ILE 100 Cb -0.05 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3g43 s ILE 100 CO 0.00 -0.09 0.73 -0.94 0.00 0.00 0.00 174.94 174.64 3g43 s SER 101 N 1.72 5.98 0.28 3.58 1.04 -1.26 -1.79 113.70 123.25 3g43 s SER 101 Ca 0.07 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 3g43 s SER 101 Cb -0.17 -1.85 0.39 0.00 0.10 0.00 0.00 66.02 64.48 3g43 s SER 101 CO 0.11 -0.68 1.95 0.00 0.98 0.00 0.00 173.24 175.60 3g43 h ALA 102 N 0.29 1.38 -0.48 5.32 0.00 -1.97 -1.52 119.26 122.28 3g43 h ALA 102 Ca -0.47 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3g43 h ALA 102 Cb 1.23 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3g43 h ALA 102 CO 0.60 0.57 0.28 0.00 0.00 0.00 0.00 179.25 180.70 3g43 h ALA 103 N 1.45 0.61 -0.05 0.00 0.00 -1.99 0.13 119.26 119.40 3g43 h ALA 103 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3g43 h ALA 103 Cb -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3g43 h ALA 103 CO -0.08 -0.02 -0.00 0.93 0.00 0.00 0.00 179.25 180.08 3g43 h GLU 104 N 0.57 0.10 -0.84 0.00 5.08 -1.74 -2.34 114.58 115.40 3g43 h GLU 104 Ca 0.19 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3g43 h GLU 104 Cb 0.01 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3g43 h GLU 104 CO -0.09 0.38 0.55 1.25 -1.00 0.00 0.00 179.01 180.10 3g43 h LEU 105 N -0.20 0.86 0.01 1.33 5.85 -1.18 -1.87 115.31 120.11 3g43 h LEU 105 Ca 0.02 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3g43 h LEU 105 Cb 0.33 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3g43 h LEU 105 CO 0.00 0.57 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.40 3g43 h ARG 106 N 0.99 -0.29 0.28 1.25 2.43 -0.70 -0.75 114.38 117.59 3g43 h ARG 106 Ca 0.35 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 3g43 h ARG 106 Cb 0.13 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3g43 h ARG 106 CO -0.12 -0.20 -0.18 0.45 -1.51 0.00 0.00 179.97 178.42 3g43 h HIS 107 N -0.30 -0.46 -0.71 2.20 3.86 -0.96 -1.61 115.15 117.17 3g43 h HIS 107 Ca 0.05 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.41 3g43 h HIS 107 Cb 0.37 0.16 -0.12 0.00 1.06 0.00 0.00 27.41 28.88 3g43 h HIS 107 CO -0.22 -0.27 -0.01 0.28 0.86 0.00 0.00 177.93 178.56 3g43 h VAL 108 N -0.44 0.38 -0.30 2.45 2.07 -1.12 0.20 116.25 119.49 3g43 h VAL 108 Ca -0.03 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3g43 h VAL 108 Cb 0.37 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3g43 h VAL 108 CO 0.03 0.02 -0.10 0.24 0.02 0.00 0.00 177.57 177.78 3g43 h MET 109 N 0.10 0.60 -0.16 1.57 2.07 -0.93 -2.09 114.93 116.10 3g43 h MET 109 Ca 0.38 -0.24 -0.07 0.00 -2.07 0.00 0.00 59.70 57.70 3g43 h MET 109 Cb 0.65 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.33 3g43 h MET 109 CO -0.63 0.81 -0.21 1.15 1.07 0.00 0.00 176.91 179.10 3g43 h THR 110 N 0.36 1.22 -0.10 2.22 2.02 -0.37 -0.15 112.91 118.12 3g43 h THR 110 Ca 0.07 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.14 3g43 h THR 110 Cb 0.60 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3g43 h THR 110 CO 0.03 0.32 -0.26 0.78 0.37 0.00 0.00 175.52 176.76 3g43 h ASN 111 N 0.25 0.40 0.11 4.18 4.21 -0.57 -3.09 115.58 121.08 3g43 h ASN 111 Ca 0.04 -0.59 0.00 0.00 1.21 0.00 0.00 56.30 56.97 3g43 h ASN 111 Cb 0.52 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3g43 h ASN 111 CO 0.03 0.92 0.00 0.18 -1.29 0.00 0.00 177.43 177.27 3g43 n LEU 112 N -4.47 0.00 0.00 1.61 4.77 -0.79 -4.78 117.00 113.34 3g43 n LEU 112 Ca -0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3g43 n LEU 112 Cb 0.45 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3g43 n LEU 112 CO 0.41 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3g43 n GLY 113 N -0.75 0.56 3.75 -0.72 0.00 -1.16 -5.02 105.19 101.86 3g43 n GLY 113 Ca 0.03 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3g43 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g43 s GLU 114 N -0.50 4.57 -0.96 1.61 2.56 -0.08 -4.99 118.70 120.92 3g43 s GLU 114 Ca 0.00 1.86 -0.11 0.00 0.00 0.00 0.00 54.97 56.71 3g43 s GLU 114 Cb 0.00 -3.20 0.25 0.00 2.00 0.00 0.00 34.13 33.18 3g43 s GLU 114 CO 0.00 0.08 0.92 0.15 -0.56 0.00 0.00 175.26 175.86 3g43 s LYS 115 N -1.07 3.86 -0.06 4.30 3.01 -1.26 -4.38 119.74 124.14 3g43 s LYS 115 Ca 0.47 -2.84 0.02 0.00 -1.01 0.00 0.00 55.97 52.62 3g43 s LYS 115 Cb -0.33 -4.47 0.01 0.00 -1.01 0.00 0.00 37.83 32.04 3g43 s LYS 115 CO 0.41 -1.26 -0.11 -0.51 0.51 0.00 0.00 175.35 174.38 3g43 s LEU 116 N -0.55 1.62 0.48 3.17 1.43 -1.26 -5.13 118.68 118.45 3g43 s LEU 116 Ca 0.24 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.84 3g43 s LEU 116 Cb -0.10 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.26 3g43 s LEU 116 CO -0.09 0.03 1.15 0.42 0.23 0.00 0.00 176.35 178.09 3g43 s THR 117 N 0.67 3.15 0.57 5.49 -4.23 -1.26 -4.81 115.64 115.22 3g43 s THR 117 Ca -0.14 0.82 0.32 0.00 -1.18 0.00 0.00 61.69 61.51 3g43 s THR 117 Cb -0.15 -3.39 0.45 0.00 1.34 0.00 0.00 72.50 70.74 3g43 s THR 117 CO 0.03 -0.05 1.78 0.44 -0.54 0.00 0.00 174.62 176.28 3g43 h ASP 118 N 1.83 0.00 -0.20 3.99 3.45 -2.00 0.52 116.42 124.02 3g43 h ASP 118 Ca -0.49 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 56.78 3g43 h ASP 118 Cb 1.25 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3g43 h ASP 118 CO 0.59 0.00 -0.57 -0.08 -1.57 0.00 0.00 179.24 177.61 3g43 h GLU 119 N 0.00 0.80 -0.12 3.56 4.81 -1.99 -1.94 114.58 119.69 3g43 h GLU 119 Ca 0.39 -0.52 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 3g43 h GLU 119 Cb 1.84 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.28 3g43 h GLU 119 CO -0.00 1.15 -0.40 0.93 -0.73 0.00 0.00 179.01 179.95 3g43 h GLU 120 N 0.60 0.27 0.05 1.92 5.08 -0.33 -1.73 114.58 120.44 3g43 h GLU 120 Ca 0.01 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3g43 h GLU 120 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3g43 h GLU 120 CO 0.12 0.64 -0.02 0.28 -1.00 0.00 0.00 179.01 179.03 3g43 h VAL 121 N 0.23 1.11 -0.45 3.13 2.07 -1.17 -1.04 116.25 120.14 3g43 h VAL 121 Ca 0.02 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.10 3g43 h VAL 121 Cb 0.81 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3g43 h VAL 121 CO 0.06 0.13 0.30 0.44 0.02 0.00 0.00 177.57 178.53 3g43 h ASP 122 N -0.29 0.26 -0.40 0.57 3.32 -1.18 0.84 116.42 119.54 3g43 h ASP 122 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3g43 h ASP 122 Cb 0.26 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3g43 h ASP 122 CO 0.01 0.16 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.52 3g43 h GLU 123 N 0.29 0.85 -0.53 3.56 4.81 -0.74 -0.45 114.58 122.37 3g43 h GLU 123 Ca 0.20 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3g43 h GLU 123 Cb 0.42 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3g43 h GLU 123 CO -0.04 0.91 0.02 0.52 -0.73 0.00 0.00 179.01 179.69 3g43 h MET 124 N 0.76 0.93 0.32 1.92 2.86 0.44 -1.38 114.93 120.78 3g43 h MET 124 Ca 0.13 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3g43 h MET 124 Cb 0.60 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3g43 h MET 124 CO 0.04 0.93 -0.15 0.82 1.06 0.00 0.00 176.91 179.61 3g43 h ILE 125 N 0.80 0.70 -0.97 -1.22 1.08 -1.11 -2.42 117.51 114.37 3g43 h ILE 125 Ca 0.15 -0.43 0.13 0.00 -0.39 0.00 0.00 64.86 64.32 3g43 h ILE 125 Cb 0.50 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 35.09 3g43 h ILE 125 CO 0.02 0.09 0.61 -0.09 -0.69 0.00 0.00 178.15 178.09 3g43 h ARG 126 N -0.68 0.86 0.00 2.37 2.43 -1.05 0.37 114.38 118.69 3g43 h ARG 126 Ca -0.04 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 3g43 h ARG 126 Cb 0.47 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3g43 h ARG 126 CO 0.07 0.57 -0.50 1.49 -1.51 0.00 0.00 179.97 180.10 3g43 h GLU 127 N 0.89 0.00 0.00 0.20 4.57 -1.20 -3.18 114.58 115.86 3g43 h GLU 127 Ca 0.49 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.52 3g43 h GLU 127 Cb 0.59 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3g43 h GLU 127 CO -0.25 0.50 -1.41 0.00 -1.18 0.00 0.00 179.01 176.66 3g43 n ALA 128 N -2.38 2.00 -1.67 2.92 0.00 -0.19 -4.71 120.51 116.47 3g43 n ALA 128 Ca -0.01 -0.53 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 3g43 n ALA 128 Cb 0.55 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 3g43 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g43 n ASP 129 N -2.85 2.98 -0.09 0.00 2.03 0.11 -4.76 116.55 113.98 3g43 n ASP 129 Ca -0.09 -2.71 -0.12 0.00 0.52 0.00 0.00 54.79 52.39 3g43 n ASP 129 Cb 0.81 -1.45 -0.07 0.00 -0.72 0.00 0.00 41.12 39.69 3g43 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3g43 h ILE 130 N 5.26 0.08 0.00 5.18 1.08 -1.85 -1.68 117.51 125.59 3g43 h ILE 130 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.81 3g43 h ILE 130 Cb 0.80 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 3g43 h ILE 130 CO 1.61 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 178.17 3g43 n ASP 131 N -5.42 0.00 -1.28 1.72 3.85 -1.26 -4.92 116.55 109.24 3g43 n ASP 131 Ca -0.03 -0.34 -0.13 0.00 -0.71 0.00 0.00 54.79 53.59 3g43 n ASP 131 Cb 0.36 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 39.90 3g43 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g43 n GLY 132 N 0.93 0.54 0.00 6.12 0.00 -0.63 -4.91 105.19 107.24 3g43 n GLY 132 Ca 0.15 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.96 3g43 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g43 n ASP 133 N -0.34 0.00 0.00 1.61 3.85 -1.26 -4.89 116.55 115.52 3g43 n ASP 133 Ca -0.15 -0.59 0.00 0.00 -0.71 0.00 0.00 54.79 53.34 3g43 n ASP 133 Cb 0.53 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 3g43 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g43 n GLY 134 N 1.13 0.71 3.60 6.12 0.00 -1.26 -5.07 105.19 110.41 3g43 n GLY 134 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3g43 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g43 s GLN 135 N -0.97 1.74 -0.27 1.61 -2.07 -1.26 -4.74 119.66 113.70 3g43 s GLN 135 Ca 0.00 -1.41 -0.03 0.00 -1.82 0.00 0.00 55.36 52.10 3g43 s GLN 135 Cb 0.00 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.43 3g43 s GLN 135 CO 0.00 -0.74 -0.01 0.08 -1.32 0.00 0.00 175.29 173.30 3g43 s VAL 136 N -3.53 3.25 0.80 3.63 1.01 -0.74 -4.60 120.40 120.21 3g43 s VAL 136 Ca 0.23 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3g43 s VAL 136 Cb -0.01 -2.67 0.17 0.00 0.00 0.00 0.00 36.38 33.87 3g43 s VAL 136 CO 0.12 0.14 1.09 -0.46 0.00 0.00 0.00 175.10 175.99 3g43 n ASN 137 N 4.73 0.69 -0.11 3.32 0.23 -1.26 -0.02 115.26 122.84 3g43 n ASN 137 Ca -0.16 -1.77 -0.10 0.00 -0.53 0.00 0.00 54.58 52.03 3g43 n ASN 137 Cb 0.47 -0.78 -0.02 0.00 -2.08 0.00 0.00 39.78 37.37 3g43 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3g43 h TYR 138 N -1.15 0.50 -0.49 -2.53 3.20 -2.00 -1.50 116.97 113.00 3g43 h TYR 138 Ca -0.36 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 3g43 h TYR 138 Cb 1.13 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3g43 h TYR 138 CO 0.00 0.46 0.28 1.49 -1.64 0.00 0.00 178.16 178.75 3g43 h GLU 139 N 0.39 0.68 -0.78 1.82 4.22 -1.94 0.12 114.58 119.09 3g43 h GLU 139 Ca 0.11 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 3g43 h GLU 139 Cb 0.17 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3g43 h GLU 139 CO -0.01 0.52 0.36 0.93 -2.18 0.00 0.00 179.01 178.63 3g43 h GLU 140 N 0.65 1.14 -0.86 1.92 5.08 -1.86 -0.55 114.58 120.10 3g43 h GLU 140 Ca 0.17 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3g43 h GLU 140 Cb 0.03 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3g43 h GLU 140 CO -0.03 0.89 0.48 0.35 -1.00 0.00 0.00 179.01 179.71 3g43 h PHE 141 N 1.11 1.16 -0.09 4.33 3.04 -0.72 -0.30 116.94 125.47 3g43 h PHE 141 Ca 0.27 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.20 3g43 h PHE 141 Cb 0.14 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.27 3g43 h PHE 141 CO 0.01 0.79 0.05 0.28 -2.02 0.00 0.00 178.31 177.42 3g43 h VAL 142 N 1.19 1.01 -0.81 1.41 2.07 0.26 -0.14 116.25 121.24 3g43 h VAL 142 Ca 0.30 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.83 3g43 h VAL 142 Cb 0.00 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3g43 h VAL 142 CO -0.05 0.02 0.53 1.56 0.02 0.00 0.00 177.57 179.65 3g43 h GLN 143 N 0.11 0.95 -0.25 1.57 1.08 -0.48 -1.09 115.11 116.99 3g43 h GLN 143 Ca 0.04 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 3g43 h GLN 143 Cb 0.00 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 3g43 h GLN 143 CO -0.02 0.63 -0.45 1.98 -0.95 0.00 0.00 178.83 180.02 3g43 h MET 144 N 0.98 0.65 0.00 1.46 4.05 -0.42 -3.12 114.93 118.52 3g43 h MET 144 Ca 0.33 -0.36 -0.14 0.00 -0.28 0.00 0.00 59.70 59.25 3g43 h MET 144 Cb 0.08 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 3g43 h MET 144 CO -0.10 0.97 -0.67 0.52 0.23 0.00 0.00 176.91 177.86 3g43 h MET 145 N 0.52 0.00 -3.11 0.39 2.86 -0.50 -3.39 114.93 111.71 3g43 h MET 145 Ca 0.03 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.05 3g43 h MET 145 Cb 0.99 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.24 3g43 h MET 145 CO 0.09 0.67 -0.70 0.95 1.06 0.00 0.00 176.91 178.98 3g43 s THR 146 N -3.44 1.89 0.00 2.22 -4.23 -0.46 -4.95 115.64 106.67 3g43 s THR 146 Ca -0.01 -2.95 0.00 0.00 -1.18 0.00 0.00 61.69 57.55 3g43 s THR 146 Cb 0.12 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3g43 s THR 146 CO 0.77 -0.88 0.00 0.00 -0.54 0.00 0.00 174.62 173.97 3g43 n ALA 147 N 3.25 0.00 0.00 3.99 0.00 -1.24 -4.69 120.51 121.83 3g43 n ALA 147 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3g43 n ALA 147 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3g43 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13