#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g43 s LEU 4 N 0.00 4.24 0.80 1.69 2.96 -1.26 -5.02 118.68 122.08 3g43 s LEU 4 Ca 0.00 1.59 -0.12 0.00 -0.22 0.00 0.00 54.13 55.38 3g43 s LEU 4 Cb 0.00 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.21 3g43 s LEU 4 CO 0.00 -0.50 1.15 0.42 -1.32 0.00 0.00 176.35 176.10 3g43 s THR 5 N 2.18 2.37 0.25 3.68 -4.23 -1.26 -4.87 115.64 113.75 3g43 s THR 5 Ca 0.50 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 3g43 s THR 5 Cb -0.19 -3.09 0.24 0.00 1.34 0.00 0.00 72.50 70.79 3g43 s THR 5 CO 0.18 -0.16 1.90 -0.33 -0.54 0.00 0.00 174.62 175.67 3g43 h GLU 6 N -1.01 1.27 -0.41 3.99 4.39 -1.99 -1.47 114.58 119.34 3g43 h GLU 6 Ca -0.46 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.10 3g43 h GLU 6 Cb 1.31 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 3g43 h GLU 6 CO 0.65 0.88 0.17 0.93 -1.16 0.00 0.00 179.01 180.48 3g43 h GLU 7 N 1.29 0.62 -0.24 2.33 3.07 -1.99 -1.33 114.58 118.32 3g43 h GLU 7 Ca 0.34 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 3g43 h GLU 7 Cb -0.07 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 3g43 h GLU 7 CO -0.06 0.57 0.10 1.96 -1.40 0.00 0.00 179.01 180.18 3g43 h GLN 8 N 0.52 0.36 -0.54 2.33 4.20 -1.84 0.53 115.11 120.68 3g43 h GLN 8 Ca 0.14 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3g43 h GLN 8 Cb 0.19 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3g43 h GLN 8 CO -0.01 0.39 0.35 0.82 -0.67 0.00 0.00 178.83 179.71 3g43 h ILE 9 N 0.25 1.12 -0.47 2.54 2.04 -1.19 -0.09 117.51 121.70 3g43 h ILE 9 Ca 0.08 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3g43 h ILE 9 Cb 0.16 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3g43 h ILE 9 CO -0.01 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.57 3g43 h ALA 10 N 1.21 0.60 -0.07 1.87 0.00 -0.98 -0.03 119.26 121.85 3g43 h ALA 10 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3g43 h ALA 10 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3g43 h ALA 10 CO -0.06 0.02 -0.00 1.49 0.00 0.00 0.00 179.25 180.70 3g43 h GLU 11 N 0.61 0.02 -0.11 0.00 4.81 -0.35 -1.45 114.58 118.11 3g43 h GLU 11 Ca 0.18 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3g43 h GLU 11 Cb -0.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3g43 h GLU 11 CO -0.05 0.01 -0.20 0.74 -0.73 0.00 0.00 179.01 178.78 3g43 h PHE 12 N 0.02 0.19 -0.39 0.92 0.05 -0.80 -1.24 116.94 115.69 3g43 h PHE 12 Ca 0.03 -0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.71 3g43 h PHE 12 Cb 0.03 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 37.92 3g43 h PHE 12 CO -0.11 0.38 -0.10 -0.22 -0.18 0.00 0.00 178.31 178.08 3g43 h LYS 13 N 0.17 0.76 -0.58 1.51 1.63 -0.59 0.77 116.57 120.24 3g43 h LYS 13 Ca 0.03 -0.29 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 3g43 h LYS 13 Cb 0.46 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 3g43 h LYS 13 CO 0.03 0.90 0.23 0.93 -3.45 0.00 0.00 179.45 178.09 3g43 h GLU 14 N 0.57 0.86 -0.69 1.90 5.08 -0.78 -0.33 114.58 121.20 3g43 h GLU 14 Ca 0.10 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3g43 h GLU 14 Cb 0.62 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3g43 h GLU 14 CO 0.04 0.74 0.39 0.00 -1.00 0.00 0.00 179.01 179.18 3g43 h ALA 15 N 1.08 0.88 -0.37 3.43 0.00 -1.03 -0.85 119.26 122.40 3g43 h ALA 15 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g43 h ALA 15 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3g43 h ALA 15 CO -0.02 0.38 0.24 0.35 0.00 0.00 0.00 179.25 180.20 3g43 h PHE 16 N 0.94 0.45 -0.42 0.00 3.04 -0.33 -2.38 116.94 118.24 3g43 h PHE 16 Ca 0.24 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.24 3g43 h PHE 16 Cb 0.01 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 3g43 h PHE 16 CO -0.01 0.28 0.20 0.77 -2.02 0.00 0.00 178.31 177.53 3g43 h SER 17 N 0.48 0.29 -0.62 0.41 0.02 -0.52 0.67 113.55 114.29 3g43 h SER 17 Ca 0.14 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 3g43 h SER 17 Cb -0.04 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 3g43 h SER 17 CO -0.04 0.21 0.28 0.25 -1.14 0.00 0.00 176.83 176.39 3g43 h LEU 18 N 0.41 0.35 -0.57 5.07 7.12 -0.91 -1.80 115.31 124.99 3g43 h LEU 18 Ca 0.18 0.06 -0.14 0.00 0.13 0.00 0.00 57.88 58.11 3g43 h LEU 18 Cb 0.09 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 3g43 h LEU 18 CO -0.13 0.21 -0.34 -0.26 -0.13 0.00 0.00 178.44 177.79 3g43 h PHE 19 N 0.50 0.92 -0.53 1.25 0.05 -0.90 -3.33 116.94 114.90 3g43 h PHE 19 Ca 0.30 -0.25 -0.58 0.00 3.82 0.00 0.00 57.97 61.26 3g43 h PHE 19 Cb 0.30 -0.20 -0.05 0.00 2.00 0.00 0.00 35.95 38.00 3g43 h PHE 19 CO -0.13 1.01 2.01 -3.47 -0.18 0.00 0.00 178.31 177.55 3g43 n ASP 20 N -4.06 3.99 0.00 2.17 4.64 0.18 -4.68 116.55 118.78 3g43 n ASP 20 Ca -0.01 -2.82 -0.11 0.00 -1.38 0.00 0.00 54.79 50.47 3g43 n ASP 20 Cb 0.50 -1.67 -0.04 0.00 -1.04 0.00 0.00 41.12 38.87 3g43 n ASP 20 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3g43 h LYS 21 N 8.02 -0.38 0.00 -0.67 3.64 -1.71 -1.50 116.57 123.97 3g43 h LYS 21 Ca 0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3g43 h LYS 21 Cb 0.84 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3g43 h LYS 21 CO 1.50 -0.25 0.00 -0.40 -2.27 0.00 0.00 179.45 178.03 3g43 n ASP 22 N -5.41 0.00 -2.71 4.20 3.85 -1.26 -4.91 116.55 110.31 3g43 n ASP 22 Ca -0.03 0.25 -0.20 0.00 -0.71 0.00 0.00 54.79 54.10 3g43 n ASP 22 Cb 0.32 -0.40 0.04 0.00 -1.35 0.00 0.00 41.12 39.73 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 -0.36 1.20 6.12 0.00 -0.57 -4.90 105.19 107.47 3g43 n GLY 23 Ca 0.08 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 3.49 0.00 1.61 5.75 -1.26 -4.90 116.55 119.23 3g43 n ASP 24 Ca -0.08 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 3g43 n ASP 24 Cb 0.60 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.85 0.94 2.99 6.12 0.00 -1.26 -5.02 105.19 109.82 3g43 n GLY 25 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.76 0.23 -0.22 2.61 -4.23 -1.26 -4.21 115.64 104.80 3g43 s THR 26 Ca 0.00 -0.82 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 3g43 s THR 26 Cb 0.00 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 3g43 s THR 26 CO 0.00 -0.38 0.08 -0.63 -0.54 0.00 0.00 174.62 173.15 3g43 s ILE 27 N -1.21 4.73 0.39 2.99 1.01 0.14 -4.77 121.20 124.47 3g43 s ILE 27 Ca -0.12 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3g43 s ILE 27 Cb -0.09 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.21 3g43 s ILE 27 CO -0.00 0.39 0.48 0.42 0.00 0.00 0.00 174.94 176.23 3g43 s THR 28 N 0.94 3.23 0.39 2.92 -4.23 -1.26 -1.47 115.64 116.17 3g43 s THR 28 Ca 0.04 -1.11 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 3g43 s THR 28 Cb -0.14 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.77 3g43 s THR 28 CO 0.03 -0.05 1.94 0.71 -0.54 0.00 0.00 174.62 176.71 3g43 h THR 29 N 0.84 1.16 -0.25 3.99 1.35 -1.91 -1.86 112.91 116.23 3g43 h THR 29 Ca -0.42 -0.65 -0.08 0.00 -0.55 0.00 0.00 66.41 64.71 3g43 h THR 29 Cb 1.27 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3g43 h THR 29 CO 0.51 0.21 -0.15 0.11 -0.25 0.00 0.00 175.52 175.95 3g43 h LYS 30 N 0.31 0.54 0.00 4.72 1.57 -1.98 0.14 116.57 121.87 3g43 h LYS 30 Ca 0.07 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 3g43 h LYS 30 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3g43 h LYS 30 CO 0.01 0.81 -0.22 0.93 -0.57 0.00 0.00 179.45 180.41 3g43 h GLU 31 N 0.26 0.00 -0.35 3.15 5.08 -1.81 -0.42 114.58 120.48 3g43 h GLU 31 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3g43 h GLU 31 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3g43 h GLU 31 CO 0.04 0.22 -0.37 1.25 -1.00 0.00 0.00 179.01 179.16 3g43 h LEU 32 N 0.00 0.93 -0.75 1.33 5.85 -1.09 -2.41 115.31 119.18 3g43 h LEU 32 Ca -0.00 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 3g43 h LEU 32 Cb 0.40 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3g43 h LEU 32 CO 0.03 1.21 0.26 1.23 -0.34 0.00 0.00 178.44 180.83 3g43 h GLY 33 N 0.67 1.23 0.96 3.75 0.00 0.27 -1.59 103.07 108.36 3g43 h GLY 33 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 3g43 h GLY 33 CO 0.09 0.67 0.13 -0.84 0.00 0.00 0.00 176.54 176.59 3g43 h THR 34 N 1.10 1.09 -0.24 4.70 2.02 -1.01 -0.11 112.91 120.46 3g43 h THR 34 Ca 0.24 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3g43 h THR 34 Cb 0.28 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3g43 h THR 34 CO -0.01 0.09 0.14 0.58 0.37 0.00 0.00 175.52 176.69 3g43 h VAL 35 N 0.27 1.09 -0.75 3.16 2.07 -1.27 -1.06 116.25 119.76 3g43 h VAL 35 Ca 0.08 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3g43 h VAL 35 Cb 0.03 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3g43 h VAL 35 CO -0.01 0.09 0.28 0.24 0.02 0.00 0.00 177.57 178.19 3g43 h MET 36 N 0.29 1.12 -0.03 1.57 2.86 -1.08 -2.14 114.93 117.52 3g43 h MET 36 Ca 0.08 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 3g43 h MET 36 Cb 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3g43 h MET 36 CO -0.02 0.92 -0.49 0.00 1.06 0.00 0.00 176.91 178.38 3g43 h ARG 37 N 1.09 0.07 0.00 1.72 3.08 -0.82 -0.48 114.38 119.04 3g43 h ARG 37 Ca 0.25 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3g43 h ARG 37 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3g43 h ARG 37 CO -0.02 0.54 -0.18 0.77 -1.07 0.00 0.00 179.97 180.01 3g43 h SER 38 N 0.05 0.00 -0.22 7.04 0.02 -0.62 0.15 113.55 119.98 3g43 h SER 38 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g43 h SER 38 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3g43 h SER 38 CO 0.07 0.18 0.00 0.18 -1.14 0.00 0.00 176.83 176.12 3g43 n LEU 39 N -3.75 1.72 0.00 5.07 4.32 -0.65 -4.91 117.00 118.80 3g43 n LEU 39 Ca -0.02 -0.76 0.00 0.00 -0.02 0.00 0.00 56.01 55.21 3g43 n LEU 39 Cb 0.29 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3g43 n LEU 39 CO 0.33 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.49 3g43 n GLY 40 N 1.11 0.77 3.91 -0.72 0.00 0.04 -5.05 105.19 105.26 3g43 n GLY 40 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.29 2.80 -0.45 1.61 -0.21 -0.28 -4.97 119.66 117.89 3g43 s GLN 41 Ca 0.00 0.02 0.06 0.00 0.02 0.00 0.00 55.36 55.46 3g43 s GLN 41 Cb 0.00 -2.22 0.21 0.00 1.00 0.00 0.00 33.01 32.00 3g43 s GLN 41 CO 0.00 -0.82 0.47 -1.71 -2.12 0.00 0.00 175.29 171.11 3g43 n ASN 42 N -2.69 0.50 -4.80 5.90 5.15 -1.26 -3.93 115.26 114.13 3g43 n ASN 42 Ca 0.05 -2.69 -0.33 0.00 -0.60 0.00 0.00 54.58 51.02 3g43 n ASN 42 Cb 0.58 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 3g43 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3g43 s PRO 43 N -0.86 3.40 0.50 1.20 0.04 -1.26 -5.07 135.00 132.95 3g43 s PRO 43 Ca 0.34 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.67 3g43 s PRO 43 Cb 0.10 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3g43 s PRO 43 CO -0.14 -0.75 0.72 0.95 0.04 0.00 0.00 177.00 177.82 3g43 s THR 44 N -2.29 3.26 0.36 1.26 -4.23 -1.26 -4.96 115.64 107.78 3g43 s THR 44 Ca 0.65 -0.61 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 3g43 s THR 44 Cb -0.17 -3.21 0.12 0.00 1.34 0.00 0.00 72.50 70.58 3g43 s THR 44 CO 0.32 -0.14 1.85 -0.33 -0.54 0.00 0.00 174.62 175.78 3g43 h GLU 45 N 0.24 0.22 -0.34 3.99 4.39 -1.99 -2.29 114.58 118.80 3g43 h GLU 45 Ca -0.44 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.16 3g43 h GLU 45 Cb 1.28 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3g43 h GLU 45 CO 0.54 0.44 0.05 0.00 -1.16 0.00 0.00 179.01 178.88 3g43 h ALA 46 N 1.57 0.45 -0.71 3.43 0.00 -1.99 -1.39 119.26 120.63 3g43 h ALA 46 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3g43 h ALA 46 Cb 0.51 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3g43 h ALA 46 CO 0.04 0.16 0.30 0.93 0.00 0.00 0.00 179.25 180.67 3g43 h GLU 47 N 0.39 1.05 -0.65 0.00 5.08 -1.88 -1.22 114.58 117.35 3g43 h GLU 47 Ca 0.10 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3g43 h GLU 47 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3g43 h GLU 47 CO 0.01 0.86 0.21 -0.07 -1.00 0.00 0.00 179.01 179.01 3g43 h LEU 48 N 1.01 0.95 -0.95 1.33 3.38 -1.30 -2.46 115.31 117.27 3g43 h LEU 48 Ca 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g43 h LEU 48 Cb 0.19 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3g43 h LEU 48 CO -0.02 0.90 0.60 1.56 0.09 0.00 0.00 178.44 181.58 3g43 h GLN 49 N 0.95 1.26 -0.87 1.13 1.08 -0.81 -2.46 115.11 115.38 3g43 h GLN 49 Ca 0.21 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3g43 h GLN 49 Cb 0.29 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3g43 h GLN 49 CO -0.01 0.86 0.45 -0.44 -0.95 0.00 0.00 178.83 178.74 3g43 h ASP 50 N 1.29 1.11 -0.22 1.46 3.32 -0.80 -1.63 116.42 120.95 3g43 h ASP 50 Ca 0.34 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3g43 h ASP 50 Cb -0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.14 3g43 h ASP 50 CO -0.07 0.91 0.11 0.24 -1.72 0.00 0.00 179.24 178.71 3g43 h MET 51 N 1.23 0.24 -0.66 3.56 2.86 -1.02 -1.05 114.93 120.09 3g43 h MET 51 Ca 0.30 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3g43 h MET 51 Cb 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3g43 h MET 51 CO -0.04 0.16 0.43 0.82 1.06 0.00 0.00 176.91 179.33 3g43 h ILE 52 N 0.24 1.17 -0.14 -1.22 1.08 -1.21 -2.71 117.51 114.73 3g43 h ILE 52 Ca 0.09 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.17 3g43 h ILE 52 Cb 0.02 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 3g43 h ILE 52 CO -0.06 0.17 -0.17 0.78 -0.69 0.00 0.00 178.15 178.19 3g43 h ASN 53 N 0.89 0.22 0.18 1.72 -0.26 -0.87 0.18 115.58 117.64 3g43 h ASN 53 Ca 0.24 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 3g43 h ASN 53 Cb -0.09 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 3g43 h ASN 53 CO -0.05 0.41 -0.12 -0.33 -1.06 0.00 0.00 177.43 176.28 3g43 h GLU 54 N 0.21 0.00 0.00 0.81 5.08 -0.86 -3.26 114.58 116.56 3g43 h GLU 54 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3g43 h GLU 54 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3g43 h GLU 54 CO 0.03 0.12 0.00 1.55 -1.00 0.00 0.00 179.01 179.70 3g43 n VAL 55 N -4.07 0.16 -2.64 3.13 3.14 -1.03 -4.95 118.33 112.05 3g43 n VAL 55 Ca -0.02 -0.41 -0.42 0.00 -2.96 0.00 0.00 64.34 60.53 3g43 n VAL 55 Cb 0.20 1.18 -0.03 0.00 -1.06 0.00 0.00 33.84 34.13 3g43 n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3g43 s ASP 56 N -0.16 6.47 0.17 6.55 2.15 0.59 -4.78 116.67 127.67 3g43 s ASP 56 Ca 0.00 -1.42 -0.04 0.00 0.43 0.00 0.00 52.55 51.52 3g43 s ASP 56 Cb 0.00 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.15 3g43 s ASP 56 CO 0.00 -1.46 1.46 0.00 -0.17 0.00 0.00 175.17 175.00 3g43 h ALA 57 N 9.63 0.61 -0.30 3.66 0.00 -1.89 -3.16 119.26 127.82 3g43 h ALA 57 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3g43 h ALA 57 Cb 1.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3g43 h ALA 57 CO 1.34 0.71 0.00 -0.40 0.00 0.00 0.00 179.25 180.89 3g43 n ASP 58 N -3.93 2.56 -1.02 0.00 5.75 -1.26 -4.95 116.55 113.70 3g43 n ASP 58 Ca -0.04 -1.87 -0.11 0.00 -0.01 0.00 0.00 54.79 52.76 3g43 n ASP 58 Cb 0.65 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 3g43 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g43 n GLY 59 N 1.31 1.02 0.00 6.12 0.00 -1.20 -4.81 105.19 107.64 3g43 n GLY 59 Ca 0.17 0.00 0.09 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 -0.49 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 117.19 3g43 n ASN 60 Ca -0.11 -0.19 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 3g43 n ASN 60 Cb 0.46 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 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 0.16 3.27 2.61 4.83 0.00 -1.26 -5.04 105.19 109.76 3g43 n GLY 61 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3g43 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g43 n THR 62 N -1.09 0.00 -4.34 2.61 -2.24 -1.26 -4.82 114.28 103.15 3g43 n THR 62 Ca 0.00 -1.71 -0.31 0.00 -2.27 0.00 0.00 64.05 59.76 3g43 n THR 62 Cb 0.00 0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.38 3g43 n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3g43 s ILE 63 N -2.29 1.81 0.50 2.28 1.01 -0.54 -4.77 121.20 119.20 3g43 s ILE 63 Ca 0.01 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.94 3g43 s ILE 63 Cb -0.00 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 40.88 3g43 s ILE 63 CO 0.01 0.50 0.68 1.51 0.00 0.00 0.00 174.94 177.64 3g43 s ASP 64 N 1.12 5.37 0.09 3.58 1.47 -1.26 0.24 116.67 127.29 3g43 s ASP 64 Ca -0.01 -0.60 -0.24 0.00 1.18 0.00 0.00 52.55 52.88 3g43 s ASP 64 Cb -0.14 -0.22 -0.14 0.00 -0.34 0.00 0.00 42.92 42.08 3g43 s ASP 64 CO -0.06 -1.05 1.72 0.15 0.68 0.00 0.00 175.17 176.60 3g43 h PHE 65 N 0.39 -0.14 -0.90 2.11 -0.00 -2.00 -1.62 116.94 114.79 3g43 h PHE 65 Ca -0.35 0.00 0.22 0.00 -0.00 0.00 0.00 57.97 57.84 3g43 h PHE 65 Cb 1.28 0.05 -0.12 0.00 -0.00 0.00 0.00 35.95 37.16 3g43 h PHE 65 CO 0.40 -0.09 0.41 -1.35 -0.00 0.00 0.00 178.31 177.68 3g43 h PRO 66 N -0.13 0.40 -0.38 6.41 0.11 -1.96 0.66 132.00 137.11 3g43 h PRO 66 Ca 0.00 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 3g43 h PRO 66 Cb 0.12 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3g43 h PRO 66 CO -0.01 0.27 -0.39 0.93 -0.21 0.00 0.00 178.00 178.59 3g43 h GLU 67 N 0.42 0.94 -0.25 1.05 5.08 -1.84 -0.66 114.58 119.33 3g43 h GLU 67 Ca 0.56 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3g43 h GLU 67 Cb 1.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3g43 h GLU 67 CO -0.52 1.16 0.13 0.35 -1.00 0.00 0.00 179.01 179.13 3g43 h PHE 68 N 0.77 0.35 -0.70 4.33 3.57 0.25 -2.26 116.94 123.24 3g43 h PHE 68 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3g43 h PHE 68 Cb 0.99 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3g43 h PHE 68 CO 0.06 0.32 0.20 1.25 -2.23 0.00 0.00 178.31 177.91 3g43 h LEU 69 N 0.28 1.03 -0.45 0.59 5.85 0.24 -1.36 115.31 121.49 3g43 h LEU 69 Ca 0.09 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3g43 h LEU 69 Cb 0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3g43 h LEU 69 CO -0.01 0.97 0.30 0.74 -0.34 0.00 0.00 178.44 180.10 3g43 h THR 70 N 1.05 1.11 -0.36 1.05 2.02 -0.93 0.31 112.91 117.16 3g43 h THR 70 Ca 0.23 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3g43 h THR 70 Cb 0.33 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3g43 h THR 70 CO -0.00 0.11 0.06 -0.03 0.37 0.00 0.00 175.52 176.03 3g43 h MET 71 N 0.61 0.60 -0.33 6.66 1.85 -1.13 -2.60 114.93 120.58 3g43 h MET 71 Ca 0.17 -0.16 -0.04 0.00 -0.61 0.00 0.00 59.70 59.06 3g43 h MET 71 Cb -0.07 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 3g43 h MET 71 CO -0.04 0.66 0.06 0.52 -0.40 0.00 0.00 176.91 177.71 3g43 h MET 72 N 0.44 0.54 -0.74 0.39 2.07 -0.91 -0.01 114.93 116.71 3g43 h MET 72 Ca 0.11 -0.14 0.08 0.00 -2.07 0.00 0.00 59.70 57.68 3g43 h MET 72 Cb 0.35 -0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 29.95 3g43 h MET 72 CO 0.01 0.62 0.40 0.00 1.07 0.00 0.00 176.91 179.01 3g43 h ALA 73 N 0.89 1.02 -0.03 6.32 0.00 -0.37 0.24 119.26 127.33 3g43 h ALA 73 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3g43 h ALA 73 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3g43 h ALA 73 CO 0.01 0.04 -0.10 -0.09 0.00 0.00 0.00 179.25 179.10 3g43 h ARG 74 N 0.70 0.13 -0.05 0.00 2.43 -1.29 -3.31 114.38 112.98 3g43 h ARG 74 Ca 0.35 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 59.24 3g43 h ARG 74 Cb 0.30 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3g43 h ARG 74 CO -0.23 0.71 -0.75 0.87 -1.51 0.00 0.00 179.97 179.06 3g43 h LYS 75 N -0.43 0.32 -1.11 0.20 1.79 -0.81 -3.24 116.57 113.30 3g43 h LYS 75 Ca -0.00 -0.28 -0.33 0.00 -2.18 0.00 0.00 60.65 57.86 3g43 h LYS 75 Cb 0.72 0.06 -0.18 0.00 -1.58 0.00 0.00 32.23 31.25 3g43 h LYS 75 CO 0.02 0.93 0.42 -0.12 -1.08 0.00 0.00 179.45 179.62 3g43 n MET 76 N -3.80 1.80 -2.01 3.15 1.56 0.84 -4.97 117.12 113.69 3g43 n MET 76 Ca -0.04 -1.80 -0.41 0.00 -0.27 0.00 0.00 57.70 55.18 3g43 n MET 76 Cb 0.72 -1.71 -0.01 0.00 2.15 0.00 0.00 33.22 34.37 3g43 n MET 76 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 3g43 s LYS 77 N -2.01 4.23 0.27 2.12 1.02 -1.22 -4.93 119.74 119.22 3g43 s LYS 77 Ca 0.35 2.32 -0.30 0.00 0.02 0.00 0.00 55.97 58.35 3g43 s LYS 77 Cb 0.29 -3.00 -0.12 0.00 -0.52 0.00 0.00 37.83 34.47 3g43 s LYS 77 CO 0.05 -0.33 1.57 -3.47 -0.92 0.00 0.00 175.35 172.24 3g43 n ASP 78 N 0.61 3.64 -3.79 2.83 -0.08 -1.26 -4.93 116.55 113.57 3g43 n ASP 78 Ca 0.01 1.14 -0.38 0.00 -1.51 0.00 0.00 54.79 54.05 3g43 n ASP 78 Cb 0.41 -1.56 -0.02 0.00 2.34 0.00 0.00 41.12 42.30 3g43 n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 3g43 n THR 79 N 2.26 4.47 -1.41 5.18 5.66 -1.26 -4.78 114.28 124.40 3g43 n THR 79 Ca 0.10 -5.73 0.07 0.00 -3.05 0.00 0.00 64.05 55.44 3g43 n THR 79 Cb 0.35 -2.04 0.14 0.00 -1.55 0.00 0.00 70.33 67.23 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 1.06 1.83 -4.80 1.09 5.75 -1.26 -4.58 116.55 115.64 3g43 n ASP 80 Ca 0.28 -3.14 -0.32 0.00 -0.01 0.00 0.00 54.79 51.60 3g43 n ASP 80 Cb 0.35 -0.43 0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3g43 n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3g43 s SER 81 N -2.72 5.48 0.26 -1.12 1.04 -1.26 -4.82 113.70 110.55 3g43 s SER 81 Ca 0.30 1.80 -0.03 0.00 0.48 0.00 0.00 55.95 58.50 3g43 s SER 81 Cb 0.28 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.31 3g43 s SER 81 CO -0.01 -1.37 1.82 -0.08 0.98 0.00 0.00 173.24 174.58 3g43 h GLU 82 N -0.02 0.86 -0.34 4.02 4.81 -1.99 -1.20 114.58 120.71 3g43 h GLU 82 Ca -0.46 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 3g43 h GLU 82 Cb 1.22 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3g43 h GLU 82 CO 0.56 0.57 -0.29 1.49 -0.73 0.00 0.00 179.01 180.61 3g43 h GLU 83 N 0.88 0.72 -0.37 1.92 4.81 -1.99 -1.33 114.58 119.23 3g43 h GLU 83 Ca 0.42 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3g43 h GLU 83 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3g43 h GLU 83 CO -0.24 0.92 -0.12 0.93 -0.73 0.00 0.00 179.01 179.78 3g43 h GLU 84 N 0.62 0.73 -0.41 1.92 5.08 -1.74 -1.71 114.58 119.07 3g43 h GLU 84 Ca 0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3g43 h GLU 84 Cb 0.80 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3g43 h GLU 84 CO 0.07 0.89 0.14 0.82 -1.00 0.00 0.00 179.01 179.93 3g43 h ILE 85 N 0.53 1.21 -0.78 3.13 2.04 -1.18 -0.89 117.51 121.56 3g43 h ILE 85 Ca 0.09 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.32 3g43 h ILE 85 Cb 0.64 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 3g43 h ILE 85 CO 0.04 0.24 0.47 -0.09 0.00 0.00 0.00 178.15 178.82 3g43 h ARG 86 N 0.52 0.86 -0.10 2.37 2.43 -1.14 -0.58 114.38 118.74 3g43 h ARG 86 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3g43 h ARG 86 Cb 0.24 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3g43 h ARG 86 CO -0.01 0.57 -0.02 0.93 -1.51 0.00 0.00 179.97 179.92 3g43 h GLU 87 N 0.88 0.19 -0.91 0.20 4.39 -1.02 -1.97 114.58 116.35 3g43 h GLU 87 Ca 0.33 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.04 3g43 h GLU 87 Cb 0.13 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 3g43 h GLU 87 CO -0.16 0.51 0.56 0.00 -1.16 0.00 0.00 179.01 178.76 3g43 h ALA 88 N 0.68 1.27 -0.57 3.43 0.00 -0.82 -1.75 119.26 121.50 3g43 h ALA 88 Ca 0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3g43 h ALA 88 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3g43 h ALA 88 CO 0.01 0.28 0.04 0.35 0.00 0.00 0.00 179.25 179.93 3g43 h PHE 89 N 0.99 1.02 -0.83 0.00 3.57 -1.00 -0.39 116.94 120.30 3g43 h PHE 89 Ca 0.41 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3g43 h PHE 89 Cb 0.25 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3g43 h PHE 89 CO -0.03 0.89 0.54 -0.09 -2.23 0.00 0.00 178.31 177.40 3g43 h ARG 90 N 0.89 1.07 0.08 1.11 2.43 -0.54 -1.56 114.38 117.85 3g43 h ARG 90 Ca 0.17 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 3g43 h ARG 90 Cb 0.46 -0.24 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3g43 h ARG 90 CO 0.02 0.71 -0.78 -0.24 -1.51 0.00 0.00 179.97 178.16 3g43 h VAL 91 N 1.10 1.44 -0.33 0.20 3.04 -1.24 -3.30 116.25 117.16 3g43 h VAL 91 Ca 0.31 -2.33 0.06 0.00 -1.01 0.00 0.00 66.70 63.73 3g43 h VAL 91 Cb -0.09 2.87 -0.05 0.00 -2.01 0.00 0.00 31.29 32.01 3g43 h VAL 91 CO -0.08 0.67 0.01 -0.26 -1.01 0.00 0.00 177.57 176.90 3g43 h PHE 92 N -0.17 -0.01 -0.27 3.17 0.04 -1.02 -3.00 116.94 115.69 3g43 h PHE 92 Ca -0.12 0.02 -0.67 0.00 2.80 0.00 0.00 57.97 60.00 3g43 h PHE 92 Cb 1.54 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.70 3g43 h PHE 92 CO 0.16 -0.05 2.64 -3.47 -0.60 0.00 0.00 178.31 176.99 3g43 n ASP 93 N -5.16 3.95 -0.23 2.17 2.03 -0.59 -4.65 116.55 114.06 3g43 n ASP 93 Ca 0.01 -2.83 -0.02 0.00 0.52 0.00 0.00 54.79 52.47 3g43 n ASP 93 Cb 0.17 -1.62 0.05 0.00 -0.72 0.00 0.00 41.12 39.00 3g43 n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3g43 h LYS 94 N 6.92 -0.07 -0.00 -0.67 3.64 -1.71 0.65 116.57 125.34 3g43 h LYS 94 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3g43 h LYS 94 Cb 0.73 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3g43 h LYS 94 CO 1.74 -0.04 0.00 -0.40 -2.27 0.00 0.00 179.45 178.47 3g43 n ASP 95 N -5.46 0.06 -2.48 4.20 3.85 -1.26 -4.90 116.55 110.55 3g43 n ASP 95 Ca 0.07 -1.05 -0.20 0.00 -0.71 0.00 0.00 54.79 52.90 3g43 n ASP 95 Cb 0.36 -0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.13 3g43 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g43 n GLY 96 N 0.99 -0.50 0.68 6.12 0.00 0.22 -4.87 105.19 107.83 3g43 n GLY 96 Ca 0.23 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.04 2.06 0.00 1.61 6.94 -1.26 -4.91 115.26 117.66 3g43 n ASN 97 Ca -0.22 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3g43 n ASN 97 Cb 0.67 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 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 1.21 0.74 2.74 4.83 0.00 -1.26 -5.05 105.19 108.41 3g43 n GLY 98 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.28 0.03 -0.25 1.61 2.02 -1.26 -4.04 117.35 113.17 3g43 s TYR 99 Ca 0.00 0.20 -0.23 0.00 -0.37 0.00 0.00 57.07 56.67 3g43 s TYR 99 Cb 0.00 -0.32 -0.01 0.00 -0.40 0.00 0.00 41.96 41.23 3g43 s TYR 99 CO 0.00 -0.13 0.75 0.42 -1.57 0.00 0.00 175.55 175.02 3g43 s ILE 100 N 1.50 4.89 0.52 2.71 1.01 0.55 -4.81 121.20 127.58 3g43 s ILE 100 Ca -0.04 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.05 3g43 s ILE 100 Cb -0.13 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.34 3g43 s ILE 100 CO -0.03 -0.05 0.72 -0.94 0.00 0.00 0.00 174.94 174.64 3g43 s SER 101 N 1.41 5.28 0.09 3.58 1.04 -1.26 -2.55 113.70 121.29 3g43 s SER 101 Ca 0.31 -0.42 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 3g43 s SER 101 Cb -0.15 -0.40 -0.08 0.00 0.10 0.00 0.00 66.02 65.48 3g43 s SER 101 CO 0.08 -1.12 1.58 0.00 0.98 0.00 0.00 173.24 174.76 3g43 h ALA 102 N 0.25 0.31 -0.64 5.32 0.00 -1.94 -1.30 119.26 121.27 3g43 h ALA 102 Ca -0.38 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.44 3g43 h ALA 102 Cb 1.28 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3g43 h ALA 102 CO 0.45 -0.04 0.34 0.00 0.00 0.00 0.00 179.25 180.00 3g43 h ALA 103 N 0.87 0.85 -0.22 0.00 0.00 -1.96 1.08 119.26 119.87 3g43 h ALA 103 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g43 h ALA 103 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3g43 h ALA 103 CO 0.00 -0.01 0.12 0.93 0.00 0.00 0.00 179.25 180.29 3g43 h GLU 104 N 0.62 0.31 -0.25 0.00 5.08 -1.84 0.31 114.58 118.81 3g43 h GLU 104 Ca 0.29 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3g43 h GLU 104 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3g43 h GLU 104 CO -0.20 0.30 0.01 1.25 -1.00 0.00 0.00 179.01 179.37 3g43 h LEU 105 N 0.24 0.44 -2.55 1.33 5.85 -0.60 -1.77 115.31 118.26 3g43 h LEU 105 Ca 0.08 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3g43 h LEU 105 Cb 0.09 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3g43 h LEU 105 CO -0.01 0.63 0.09 -0.09 -0.34 0.00 0.00 178.44 178.72 3g43 h ARG 106 N 0.23 0.00 0.08 1.25 2.43 0.13 -0.84 114.38 117.66 3g43 h ARG 106 Ca 0.07 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 3g43 h ARG 106 Cb 0.41 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3g43 h ARG 106 CO 0.01 0.00 -0.49 1.25 -1.51 0.00 0.00 179.97 179.23 3g43 h HIS 107 N 0.00 0.30 -0.37 2.20 2.76 -0.31 -3.31 115.15 116.42 3g43 h HIS 107 Ca 0.02 -0.22 0.01 0.00 -2.20 0.00 0.00 60.37 57.98 3g43 h HIS 107 Cb 0.20 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3g43 h HIS 107 CO 0.00 1.19 0.25 0.28 -1.30 0.00 0.00 177.93 178.34 3g43 h VAL 108 N -0.65 1.08 0.00 5.26 2.07 -0.37 -0.78 116.25 122.87 3g43 h VAL 108 Ca -0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3g43 h VAL 108 Cb 1.37 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3g43 h VAL 108 CO 0.08 0.09 0.00 0.23 0.02 0.00 0.00 177.57 177.99 3g43 n MET 109 N -4.48 0.04 -0.14 1.57 2.00 -0.47 -2.39 117.12 113.25 3g43 n MET 109 Ca 0.03 0.29 -0.26 0.00 0.00 0.00 0.00 57.70 57.76 3g43 n MET 109 Cb 0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.69 3g43 n MET 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3g43 n THR 110 N -1.44 1.50 0.18 2.03 -2.24 -0.32 0.17 114.28 114.15 3g43 n THR 110 Ca 0.03 -0.44 0.02 0.00 -2.27 0.00 0.00 64.05 61.39 3g43 n THR 110 Cb 0.10 -1.73 0.09 0.00 -2.10 0.00 0.00 70.33 66.70 3g43 n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g43 n ASN 111 N -3.92 0.00 0.00 3.42 4.13 -1.07 0.37 115.26 118.20 3g43 n ASN 111 Ca -0.51 0.17 0.00 0.00 1.68 0.00 0.00 54.58 55.91 3g43 n ASN 111 Cb 0.92 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.92 3g43 n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3g43 n LEU 112 N -1.23 0.80 0.00 3.41 4.77 -1.01 -4.97 117.00 118.76 3g43 n LEU 112 Ca 0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3g43 n LEU 112 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3g43 n LEU 112 CO 0.03 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3g43 n GLY 113 N -0.00 0.13 1.54 -0.72 0.00 0.16 -4.80 105.19 101.49 3g43 n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g43 n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3g43 n GLU 114 N -0.34 0.64 -1.63 1.61 4.07 0.13 -4.91 120.64 120.21 3g43 n GLU 114 Ca 0.00 0.00 -0.62 0.00 -0.06 0.00 0.00 57.16 56.48 3g43 n GLU 114 Cb 0.30 -1.18 -0.09 0.00 -0.06 0.00 0.00 31.44 30.42 3g43 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3g43 n LYS 115 N 1.47 0.22 -4.14 5.31 4.76 -0.70 -4.80 118.16 120.28 3g43 n LYS 115 Ca 0.00 0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 3g43 n LYS 115 Cb 0.32 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 3g43 n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3g43 s LEU 116 N 1.62 2.48 0.73 -0.35 1.43 -1.26 -5.12 118.68 118.22 3g43 s LEU 116 Ca 0.97 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 3g43 s LEU 116 Cb -1.32 -0.01 0.03 0.00 0.03 0.00 0.00 46.19 44.93 3g43 s LEU 116 CO 0.67 -0.48 1.08 0.42 0.23 0.00 0.00 176.35 178.27 3g43 s THR 117 N -3.48 3.68 0.29 5.49 -4.23 -1.26 -4.84 115.64 111.29 3g43 s THR 117 Ca 0.08 0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 3g43 s THR 117 Cb 0.04 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 71.00 3g43 s THR 117 CO -0.06 -0.71 1.89 0.44 -0.54 0.00 0.00 174.62 175.65 3g43 h ASP 118 N -0.90 0.95 0.46 3.99 3.45 -2.01 -1.40 116.42 120.96 3g43 h ASP 118 Ca -0.44 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 56.97 3g43 h ASP 118 Cb 1.22 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 3g43 h ASP 118 CO 0.54 0.60 -0.33 -0.33 -1.57 0.00 0.00 179.24 178.14 3g43 h GLU 119 N 1.07 0.00 0.06 3.56 5.08 -1.99 -1.69 114.58 120.68 3g43 h GLU 119 Ca 0.42 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.50 3g43 h GLU 119 Cb 0.23 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.50 3g43 h GLU 119 CO -0.17 0.33 -1.11 0.93 -1.00 0.00 0.00 179.01 178.00 3g43 h GLU 120 N 0.00 0.64 -0.38 2.33 5.08 -1.64 -2.44 114.58 118.16 3g43 h GLU 120 Ca -0.00 -0.77 0.02 0.00 -1.00 0.00 0.00 59.36 57.60 3g43 h GLU 120 Cb 0.66 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3g43 h GLU 120 CO 0.04 1.34 0.22 0.28 -1.00 0.00 0.00 179.01 179.89 3g43 h VAL 121 N 0.28 1.03 -0.57 3.13 2.07 -1.16 -0.57 116.25 120.47 3g43 h VAL 121 Ca -0.16 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3g43 h VAL 121 Cb 1.78 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3g43 h VAL 121 CO 0.22 0.08 0.38 0.44 0.02 0.00 0.00 177.57 178.70 3g43 h ASP 122 N 0.44 0.51 -0.23 0.57 3.32 -1.31 -1.27 116.42 118.45 3g43 h ASP 122 Ca 0.15 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3g43 h ASP 122 Cb 0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3g43 h ASP 122 CO -0.08 0.35 -0.33 -0.08 -1.72 0.00 0.00 179.24 177.38 3g43 h GLU 123 N 0.59 0.75 -0.56 3.56 4.81 -0.71 -1.35 114.58 121.67 3g43 h GLU 123 Ca 0.24 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3g43 h GLU 123 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3g43 h GLU 123 CO -0.07 0.97 0.18 0.52 -0.73 0.00 0.00 179.01 179.88 3g43 h MET 124 N 0.63 0.87 0.27 1.92 2.86 -0.02 -1.80 114.93 119.65 3g43 h MET 124 Ca 0.07 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3g43 h MET 124 Cb 0.86 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3g43 h MET 124 CO 0.08 0.78 -0.13 0.82 1.06 0.00 0.00 176.91 179.52 3g43 h ILE 125 N 0.78 0.74 -0.58 -1.22 1.08 -1.20 -2.13 117.51 114.99 3g43 h ILE 125 Ca 0.18 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.70 3g43 h ILE 125 Cb 0.28 0.78 -0.09 0.00 -3.07 0.00 0.00 36.82 34.72 3g43 h ILE 125 CO -0.01 0.01 0.05 -0.09 -0.69 0.00 0.00 178.15 177.43 3g43 h ARG 126 N -0.40 0.17 -0.46 2.37 2.43 -1.08 0.62 114.38 118.02 3g43 h ARG 126 Ca -0.04 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3g43 h ARG 126 Cb 0.30 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3g43 h ARG 126 CO 0.06 0.11 0.08 1.49 -1.51 0.00 0.00 179.97 180.21 3g43 h GLU 127 N 0.17 0.71 0.00 0.20 4.57 -1.21 -2.73 114.58 116.30 3g43 h GLU 127 Ca 0.30 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 58.17 3g43 h GLU 127 Cb 0.46 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3g43 h GLU 127 CO -0.45 0.67 -0.88 0.00 -1.18 0.00 0.00 179.01 177.17 3g43 h ALA 128 N 1.41 0.57 -0.72 2.92 0.00 -0.47 -3.41 119.26 119.56 3g43 h ALA 128 Ca 0.15 -0.74 -0.44 0.00 0.00 0.00 0.00 54.91 53.88 3g43 h ALA 128 Cb 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3g43 h ALA 128 CO 0.00 0.95 1.30 0.34 0.00 0.00 0.00 179.25 181.85 3g43 s ASP 129 N -6.43 5.68 0.10 0.00 2.15 0.20 -4.76 116.67 113.61 3g43 s ASP 129 Ca 0.01 -1.56 -0.22 0.00 0.43 0.00 0.00 52.55 51.22 3g43 s ASP 129 Cb 0.09 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 40.00 3g43 s ASP 129 CO 0.79 -2.33 1.74 0.40 -0.17 0.00 0.00 175.17 175.60 3g43 h ILE 130 N 6.41 1.02 -0.04 4.11 2.04 -1.81 -2.85 117.51 126.40 3g43 h ILE 130 Ca 0.24 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3g43 h ILE 130 Cb 0.95 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3g43 h ILE 130 CO 1.30 0.02 0.00 -0.90 0.00 0.00 0.00 178.15 178.57 3g43 n ASP 131 N -5.05 0.43 -2.62 1.72 3.85 -1.26 -4.92 116.55 108.69 3g43 n ASP 131 Ca -0.06 -1.45 -0.20 0.00 -0.71 0.00 0.00 54.79 52.37 3g43 n ASP 131 Cb 0.03 -0.02 0.02 0.00 -1.35 0.00 0.00 41.12 39.80 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 0.90 -0.43 0.91 6.12 0.00 -1.08 -4.88 105.19 106.73 3g43 n GLY 132 Ca 0.16 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.05 2.62 0.00 1.61 3.85 -1.26 -4.89 116.55 116.43 3g43 n ASP 133 Ca -0.14 -2.08 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 3g43 n ASP 133 Cb 0.63 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 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 1.10 2.44 3.29 6.12 0.00 -1.26 -5.00 105.19 111.87 3g43 n GLY 134 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.22 1.19 -0.28 1.61 -2.07 -1.26 -4.83 119.66 113.79 3g43 s GLN 135 Ca 0.00 -1.54 -0.06 0.00 -1.82 0.00 0.00 55.36 51.94 3g43 s GLN 135 Cb 0.00 -0.70 0.01 0.00 -1.09 0.00 0.00 33.01 31.23 3g43 s GLN 135 CO 0.00 0.04 0.05 0.08 -1.32 0.00 0.00 175.29 174.14 3g43 s VAL 136 N -3.29 3.74 0.26 3.63 1.01 -1.06 -4.65 120.40 120.04 3g43 s VAL 136 Ca 0.21 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 3g43 s VAL 136 Cb 0.03 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3g43 s VAL 136 CO 0.04 0.12 0.35 -0.46 0.00 0.00 0.00 175.10 175.15 3g43 n ASN 137 N 4.83 0.46 0.10 3.32 0.23 -1.26 -0.33 115.26 122.61 3g43 n ASN 137 Ca -0.15 -1.39 -0.13 0.00 -0.53 0.00 0.00 54.58 52.38 3g43 n ASN 137 Cb 0.48 -0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 37.89 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 -0.48 -0.29 -0.66 -2.53 3.20 -2.00 -0.54 116.97 113.68 3g43 h TYR 138 Ca -0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3g43 h TYR 138 Cb 0.42 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 3g43 h TYR 138 CO 0.00 -0.17 0.43 1.49 -1.64 0.00 0.00 178.16 178.27 3g43 h GLU 139 N -0.25 0.87 -0.53 1.82 4.81 -1.95 -0.44 114.58 118.91 3g43 h GLU 139 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3g43 h GLU 139 Cb 0.24 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3g43 h GLU 139 CO -0.03 0.59 0.20 0.93 -0.73 0.00 0.00 179.01 179.97 3g43 h GLU 140 N 0.89 0.81 -0.64 1.92 5.08 -1.86 -1.83 114.58 118.95 3g43 h GLU 140 Ca 0.24 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3g43 h GLU 140 Cb -0.09 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3g43 h GLU 140 CO -0.05 0.72 0.31 0.35 -1.00 0.00 0.00 179.01 179.33 3g43 h PHE 141 N 0.72 0.93 -0.12 4.33 3.04 -0.69 -1.75 116.94 123.41 3g43 h PHE 141 Ca 0.17 -0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.10 3g43 h PHE 141 Cb 0.23 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 3g43 h PHE 141 CO 0.01 0.70 -0.04 0.28 -2.02 0.00 0.00 178.31 177.24 3g43 h VAL 142 N 0.89 0.85 -0.76 1.41 2.07 -0.81 -1.13 116.25 118.76 3g43 h VAL 142 Ca 0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.79 3g43 h VAL 142 Cb 0.12 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3g43 h VAL 142 CO -0.03 0.00 0.47 -0.61 0.02 0.00 0.00 177.57 177.42 3g43 h GLN 143 N -0.02 0.85 -0.61 1.57 4.15 -1.08 -0.70 115.11 119.26 3g43 h GLN 143 Ca 0.06 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 3g43 h GLN 143 Cb 0.12 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 3g43 h GLN 143 CO -0.13 0.56 0.27 1.98 -1.93 0.00 0.00 178.83 179.58 3g43 h MET 144 N 0.87 0.87 0.00 1.69 4.05 -0.75 -2.45 114.93 119.21 3g43 h MET 144 Ca 0.33 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3g43 h MET 144 Cb 0.12 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3g43 h MET 144 CO -0.15 0.69 -0.12 0.52 0.23 0.00 0.00 176.91 178.08 3g43 h MET 145 N 0.87 0.00 -4.32 0.39 2.86 -0.42 -3.42 114.93 110.89 3g43 h MET 145 Ca 0.21 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.23 3g43 h MET 145 Cb 0.13 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 31.40 3g43 h MET 145 CO -0.02 0.12 -0.77 0.95 1.06 0.00 0.00 176.91 178.24 3g43 s THR 146 N -3.29 1.59 0.00 2.22 -4.23 -0.35 -4.80 115.64 106.79 3g43 s THR 146 Ca 0.05 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3g43 s THR 146 Cb 0.07 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.96 3g43 s THR 146 CO 0.66 -0.26 0.00 0.00 -0.54 0.00 0.00 174.62 174.48 3g43 n ALA 147 N 4.62 0.00 -0.44 3.99 0.00 -1.26 -4.68 120.51 122.74 3g43 n ALA 147 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3g43 n ALA 147 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3g43 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13