#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 4.55 0.38 1.69 0.05 -1.26 -5.06 118.68 119.03 3g43 s LEU 4 Ca 0.00 1.62 -0.06 0.00 0.05 0.00 0.00 54.13 55.75 3g43 s LEU 4 Cb 0.00 -3.32 -0.05 0.00 -2.05 0.00 0.00 46.19 40.77 3g43 s LEU 4 CO 0.00 0.13 0.67 0.28 -0.55 0.00 0.00 176.35 176.88 3g43 s THR 5 N -0.76 4.95 0.55 5.48 -1.32 -1.26 -4.94 115.64 118.33 3g43 s THR 5 Ca 0.38 0.16 0.38 0.00 -1.21 0.00 0.00 61.69 61.40 3g43 s THR 5 Cb -0.23 -3.79 0.57 0.00 -1.51 0.00 0.00 72.50 67.55 3g43 s THR 5 CO 0.26 -0.55 1.76 -0.08 -2.21 0.00 0.00 174.62 173.80 3g43 h GLU 6 N 1.04 0.00 0.07 7.08 4.57 -2.01 0.83 114.58 126.17 3g43 h GLU 6 Ca -0.48 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.56 3g43 h GLU 6 Cb 1.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 3g43 h GLU 6 CO 0.64 0.00 -0.60 1.49 -1.18 0.00 0.00 179.01 179.36 3g43 h GLU 7 N 0.00 0.27 -0.81 1.92 4.81 -2.00 -3.29 114.58 115.48 3g43 h GLU 7 Ca 0.61 -0.39 0.11 0.00 -0.13 0.00 0.00 59.36 59.56 3g43 h GLU 7 Cb 2.48 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 31.92 3g43 h GLU 7 CO -0.01 1.14 0.43 1.96 -0.73 0.00 0.00 179.01 181.80 3g43 h GLN 8 N -0.40 0.65 -0.15 1.92 4.20 -1.21 0.23 115.11 120.36 3g43 h GLN 8 Ca -0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3g43 h GLN 8 Cb 1.41 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 3g43 h GLN 8 CO 0.11 0.43 0.01 0.82 -0.67 0.00 0.00 178.83 179.54 3g43 h ILE 9 N 0.67 1.10 -0.32 2.54 2.04 -1.61 0.62 117.51 122.55 3g43 h ILE 9 Ca 0.41 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 3g43 h ILE 9 Cb 0.48 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3g43 h ILE 9 CO -0.30 0.12 -0.36 0.00 0.00 0.00 0.00 178.15 177.61 3g43 h ALA 10 N 1.80 0.47 -0.09 1.87 0.00 -1.05 -0.09 119.26 122.18 3g43 h ALA 10 Ca 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3g43 h ALA 10 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3g43 h ALA 10 CO 0.00 0.55 0.03 0.93 0.00 0.00 0.00 179.25 180.76 3g43 h GLU 11 N 0.58 0.13 -0.98 0.00 5.08 -0.42 -1.56 114.58 117.41 3g43 h GLU 11 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g43 h GLU 11 Cb 0.95 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 3g43 h GLU 11 CO 0.09 0.27 0.62 0.74 -1.00 0.00 0.00 179.01 179.73 3g43 h PHE 12 N -0.03 1.25 -0.44 4.33 0.05 -0.87 0.23 116.94 121.46 3g43 h PHE 12 Ca 0.03 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 3g43 h PHE 12 Cb 0.19 -0.42 -0.02 0.00 2.00 0.00 0.00 35.95 37.70 3g43 h PHE 12 CO -0.01 0.81 0.07 -0.22 -0.18 0.00 0.00 178.31 178.77 3g43 h LYS 13 N 1.33 0.68 -0.16 1.51 1.63 -0.82 0.24 116.57 120.99 3g43 h LYS 13 Ca 0.35 -0.14 -0.20 0.00 -0.85 0.00 0.00 60.65 59.81 3g43 h LYS 13 Cb -0.11 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 3g43 h LYS 13 CO -0.07 0.65 -0.71 1.49 -3.45 0.00 0.00 179.45 177.35 3g43 h GLU 14 N 0.65 0.69 -0.21 1.90 4.81 -0.24 0.69 114.58 122.87 3g43 h GLU 14 Ca 0.14 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3g43 h GLU 14 Cb 0.31 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3g43 h GLU 14 CO 0.00 1.15 0.11 0.00 -0.73 0.00 0.00 179.01 179.55 3g43 h ALA 15 N 0.70 0.28 -0.56 2.92 0.00 0.01 -1.64 119.26 120.98 3g43 h ALA 15 Ca -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3g43 h ALA 15 Cb 1.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3g43 h ALA 15 CO 0.14 -0.19 0.12 0.35 0.00 0.00 0.00 179.25 179.68 3g43 h PHE 16 N 0.23 0.89 0.00 0.00 3.04 -0.48 -2.26 116.94 118.37 3g43 h PHE 16 Ca 0.08 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 3g43 h PHE 16 Cb 0.08 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.33 3g43 h PHE 16 CO -0.03 0.75 -0.14 1.03 -2.02 0.00 0.00 178.31 177.90 3g43 h SER 17 N 0.83 0.00 0.07 0.41 0.87 -0.39 -1.06 113.55 114.27 3g43 h SER 17 Ca 0.18 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3g43 h SER 17 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3g43 h SER 17 CO 0.00 0.14 -0.03 0.25 -0.53 0.00 0.00 176.83 176.66 3g43 h LEU 18 N 0.00 -0.07 -1.21 2.23 5.85 -0.70 -3.24 115.31 118.16 3g43 h LEU 18 Ca -0.00 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 3g43 h LEU 18 Cb 0.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3g43 h LEU 18 CO 0.02 0.43 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.94 3g43 h PHE 19 N -0.60 0.10 -0.63 1.25 -1.00 -1.36 -3.32 116.94 111.37 3g43 h PHE 19 Ca -0.01 -0.02 -0.68 0.00 2.81 0.00 0.00 57.97 60.07 3g43 h PHE 19 Cb 0.51 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.98 3g43 h PHE 19 CO 0.09 0.42 2.42 -3.47 -1.61 0.00 0.00 178.31 176.17 3g43 n ASP 20 N -4.11 4.62 -0.17 2.17 4.64 -0.42 -4.51 116.55 118.77 3g43 n ASP 20 Ca -0.02 -2.89 -0.08 0.00 -1.38 0.00 0.00 54.79 50.42 3g43 n ASP 20 Cb 0.40 -1.72 -0.06 0.00 -1.04 0.00 0.00 41.12 38.70 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 7.22 -0.12 0.00 -0.67 1.79 -1.78 -1.21 116.57 121.79 3g43 h LYS 21 Ca 0.48 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 3g43 h LYS 21 Cb 0.81 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3g43 h LYS 21 CO 1.57 -0.08 0.00 -0.40 -1.08 0.00 0.00 179.45 179.46 3g43 n ASP 22 N -4.35 0.00 -1.97 0.86 3.85 -1.26 -4.91 116.55 108.76 3g43 n ASP 22 Ca -0.01 -0.63 -0.17 0.00 -0.71 0.00 0.00 54.79 53.28 3g43 n ASP 22 Cb 0.18 -0.11 -0.00 0.00 -1.35 0.00 0.00 41.12 39.84 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 1.00 -0.31 0.37 6.12 0.00 -0.46 -4.90 105.19 107.02 3g43 n GLY 23 Ca 0.19 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.23 1.06 0.00 1.61 5.68 -1.26 -4.87 116.55 117.54 3g43 n ASP 24 Ca -0.18 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 3g43 n ASP 24 Cb 0.64 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3g43 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g43 n GLY 25 N 0.76 0.77 2.94 6.12 0.00 -1.26 -5.04 105.19 109.48 3g43 n GLY 25 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.85 0.07 -0.31 2.61 -4.23 -1.26 -4.21 115.64 105.46 3g43 s THR 26 Ca 0.00 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 3g43 s THR 26 Cb 0.00 -0.17 0.01 0.00 1.34 0.00 0.00 72.50 73.68 3g43 s THR 26 CO 0.00 -0.32 0.11 -0.63 -0.54 0.00 0.00 174.62 173.25 3g43 s ILE 27 N -0.92 4.17 0.53 2.99 1.01 0.16 -4.73 121.20 124.41 3g43 s ILE 27 Ca -0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3g43 s ILE 27 Cb -0.06 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.24 3g43 s ILE 27 CO -0.01 0.03 0.79 0.42 0.00 0.00 0.00 174.94 176.17 3g43 s THR 28 N 1.53 3.52 0.25 2.92 -4.23 -1.26 -1.77 115.64 116.60 3g43 s THR 28 Ca 0.03 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.14 3g43 s THR 28 Cb -0.17 -3.35 0.24 0.00 1.34 0.00 0.00 72.50 70.56 3g43 s THR 28 CO 0.04 -0.29 1.87 0.74 -0.54 0.00 0.00 174.62 176.44 3g43 h THR 29 N 0.09 1.07 0.12 3.99 2.02 -1.97 -0.76 112.91 117.47 3g43 h THR 29 Ca -0.45 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3g43 h THR 29 Cb 1.27 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3g43 h THR 29 CO 0.58 0.20 -0.09 0.50 0.37 0.00 0.00 175.52 177.07 3g43 h LYS 30 N 1.08 -0.21 -0.58 6.66 3.64 -2.00 -1.35 116.57 123.80 3g43 h LYS 30 Ca 0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3g43 h LYS 30 Cb 0.17 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3g43 h LYS 30 CO -0.17 -0.14 0.37 0.93 -2.27 0.00 0.00 179.45 178.16 3g43 h GLU 31 N -0.22 0.78 -0.36 1.90 5.08 -1.77 -0.76 114.58 119.23 3g43 h GLU 31 Ca -0.00 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3g43 h GLU 31 Cb 0.20 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3g43 h GLU 31 CO -0.01 0.54 0.05 1.25 -1.00 0.00 0.00 179.01 179.84 3g43 h LEU 32 N 0.79 -0.03 -0.33 1.33 5.85 -0.88 -0.94 115.31 121.09 3g43 h LEU 32 Ca 0.21 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3g43 h LEU 32 Cb -0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3g43 h LEU 32 CO -0.04 0.02 0.07 1.23 -0.34 0.00 0.00 178.44 179.37 3g43 h GLY 33 N 0.17 0.59 0.11 3.75 0.00 -0.91 -1.18 103.07 105.60 3g43 h GLY 33 Ca 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3g43 h GLY 33 CO -0.24 0.36 -0.08 -0.84 0.00 0.00 0.00 176.54 175.74 3g43 h THR 34 N 0.39 0.00 -0.75 4.70 2.02 -0.72 -1.37 112.91 117.17 3g43 h THR 34 Ca 0.10 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.45 3g43 h THR 34 Cb 0.33 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.62 3g43 h THR 34 CO 0.00 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.59 3g43 h VAL 35 N -0.18 0.43 -0.83 3.16 2.07 -1.27 0.13 116.25 119.75 3g43 h VAL 35 Ca -0.01 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.60 3g43 h VAL 35 Cb 0.15 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.04 3g43 h VAL 35 CO 0.01 0.04 0.40 -0.03 0.02 0.00 0.00 177.57 178.00 3g43 h MET 36 N 0.20 0.52 -0.08 1.57 4.05 -1.06 -1.58 114.93 118.56 3g43 h MET 36 Ca 0.42 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 59.57 3g43 h MET 36 Cb 0.75 -0.12 0.01 0.00 -0.80 0.00 0.00 31.60 31.45 3g43 h MET 36 CO -0.58 0.35 -0.89 0.00 0.23 0.00 0.00 176.91 176.02 3g43 h ARG 37 N 0.54 0.72 0.00 0.39 3.08 0.36 -1.60 114.38 117.88 3g43 h ARG 37 Ca 0.47 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3g43 h ARG 37 Cb 0.72 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3g43 h ARG 37 CO -0.40 1.26 0.00 0.66 -1.07 0.00 0.00 179.97 180.42 3g43 h SER 38 N 0.46 0.00 -0.60 7.04 4.64 -0.27 0.07 113.55 124.88 3g43 h SER 38 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3g43 h SER 38 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3g43 h SER 38 CO 0.18 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.32 3g43 n LEU 39 N -2.81 4.92 0.00 5.97 4.77 -0.71 -4.92 117.00 124.21 3g43 n LEU 39 Ca -0.02 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 3g43 n LEU 39 Cb 0.09 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3g43 n LEU 39 CO 0.18 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3g43 n GLY 40 N 0.94 1.82 3.88 -0.72 0.00 0.01 -5.04 105.19 106.09 3g43 n GLY 40 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.36 3.66 -0.49 1.61 -0.21 -0.62 -4.98 119.66 118.28 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 -3.01 0.22 0.00 1.00 0.00 0.00 33.01 31.22 3g43 s GLN 41 CO 0.00 0.58 0.51 0.09 -2.12 0.00 0.00 175.29 174.35 3g43 n ASN 42 N 0.84 1.03 -4.78 5.90 3.02 -1.26 -2.36 115.26 117.66 3g43 n ASN 42 Ca -0.08 -2.81 -0.34 0.00 -0.03 0.00 0.00 54.58 51.31 3g43 n ASN 42 Cb 0.52 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3g43 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g43 s PRO 43 N -1.10 3.42 0.91 3.52 0.04 -1.26 -5.04 135.00 135.50 3g43 s PRO 43 Ca 0.34 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 3g43 s PRO 43 Cb 0.10 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.77 3g43 s PRO 43 CO -0.13 -0.76 1.24 0.95 0.04 0.00 0.00 177.00 178.34 3g43 s THR 44 N -1.96 1.98 0.13 1.26 -4.23 -1.26 -4.79 115.64 106.77 3g43 s THR 44 Ca 0.70 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.03 3g43 s THR 44 Cb -0.21 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 3g43 s THR 44 CO 0.27 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.00 3g43 h GLU 45 N -1.47 0.43 -0.33 3.99 4.81 -1.98 0.12 114.58 120.14 3g43 h GLU 45 Ca -0.46 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 3g43 h GLU 45 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3g43 h GLU 45 CO 0.50 0.37 -0.15 0.00 -0.73 0.00 0.00 179.01 179.01 3g43 h ALA 46 N 1.04 1.13 -0.23 2.92 0.00 -1.98 -0.47 119.26 121.66 3g43 h ALA 46 Ca 0.11 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3g43 h ALA 46 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g43 h ALA 46 CO -0.02 0.55 -0.63 0.93 0.00 0.00 0.00 179.25 180.08 3g43 h GLU 47 N 0.54 0.80 -0.64 0.00 5.08 -1.83 -1.30 114.58 117.22 3g43 h GLU 47 Ca 0.09 -0.55 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 3g43 h GLU 47 Cb 0.57 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3g43 h GLU 47 CO 0.04 1.18 0.08 1.25 -1.00 0.00 0.00 179.01 180.55 3g43 h LEU 48 N 0.59 1.04 -0.82 1.33 5.85 -0.60 -2.32 115.31 120.39 3g43 h LEU 48 Ca -0.01 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3g43 h LEU 48 Cb 1.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3g43 h LEU 48 CO 0.13 1.05 0.30 -0.61 -0.34 0.00 0.00 178.44 178.98 3g43 h GLN 49 N 0.99 1.17 -0.22 1.25 5.75 -0.95 -2.41 115.11 120.69 3g43 h GLN 49 Ca 0.19 -0.22 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3g43 h GLN 49 Cb 0.47 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3g43 h GLN 49 CO 0.02 0.96 -0.28 -0.44 -2.65 0.00 0.00 178.83 176.44 3g43 h ASP 50 N 1.14 0.43 -0.35 -0.69 3.32 -0.96 -2.18 116.42 117.15 3g43 h ASP 50 Ca 0.26 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3g43 h ASP 50 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3g43 h ASP 50 CO -0.02 0.70 0.01 0.24 -1.72 0.00 0.00 179.24 178.46 3g43 h MET 51 N 0.38 0.60 0.34 3.56 2.86 -1.07 -1.41 114.93 120.20 3g43 h MET 51 Ca 0.05 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3g43 h MET 51 Cb 0.68 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3g43 h MET 51 CO 0.05 0.71 -0.17 0.82 1.06 0.00 0.00 176.91 179.39 3g43 h ILE 52 N 0.42 0.67 -0.65 -1.22 1.08 -1.31 -2.22 117.51 114.28 3g43 h ILE 52 Ca 0.10 -0.12 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 3g43 h ILE 52 Cb 0.43 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 3g43 h ILE 52 CO 0.02 0.02 0.27 0.78 -0.69 0.00 0.00 178.15 178.55 3g43 h ASN 53 N -0.52 0.29 -0.52 1.72 -0.26 -1.40 0.29 115.58 115.18 3g43 h ASN 53 Ca -0.05 0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 3g43 h ASN 53 Cb 0.39 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 3g43 h ASN 53 CO 0.08 0.16 0.19 -0.08 -1.06 0.00 0.00 177.43 176.72 3g43 h GLU 54 N 0.46 0.85 0.00 0.81 4.81 -1.12 -3.19 114.58 117.20 3g43 h GLU 54 Ca 0.33 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3g43 h GLU 54 Cb 0.41 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3g43 h GLU 54 CO -0.31 0.73 -1.58 0.28 -0.73 0.00 0.00 179.01 177.40 3g43 n VAL 55 N -4.30 0.26 -1.99 0.32 0.31 -0.85 -4.75 118.33 107.33 3g43 n VAL 55 Ca 0.04 -0.52 -0.36 0.00 -0.01 0.00 0.00 64.34 63.50 3g43 n VAL 55 Cb 0.19 -0.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.95 3g43 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3g43 n ASP 56 N -2.43 3.47 -0.00 4.52 4.64 0.97 -4.75 116.55 122.97 3g43 n ASP 56 Ca -0.02 -2.76 -0.10 0.00 -1.38 0.00 0.00 54.79 50.53 3g43 n ASP 56 Cb 0.56 -1.62 -0.04 0.00 -1.04 0.00 0.00 41.12 38.98 3g43 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3g43 h ALA 57 N 8.59 0.05 -0.00 -1.67 0.00 -1.85 -1.84 119.26 122.54 3g43 h ALA 57 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3g43 h ALA 57 Cb 0.85 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3g43 h ALA 57 CO 1.47 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 3g43 n ASP 58 N -5.17 0.21 -2.32 0.00 5.68 -1.26 -4.91 116.55 108.79 3g43 n ASP 58 Ca -0.04 -1.08 -0.16 0.00 -0.50 0.00 0.00 54.79 53.00 3g43 n ASP 58 Cb 0.10 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.07 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 1.02 -0.27 0.11 6.12 0.00 -0.69 -4.83 105.19 106.64 3g43 n GLY 59 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 0.33 0.00 1.61 6.94 -1.26 -4.89 115.26 116.20 3g43 n ASN 60 Ca -0.19 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 52.94 3g43 n ASN 60 Cb 0.64 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 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 0.88 1.25 3.23 4.83 0.00 -1.26 -5.04 105.19 109.08 3g43 n GLY 61 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.31 0.78 -0.21 2.61 -4.23 -1.26 -4.73 115.64 106.29 3g43 s THR 62 Ca 0.00 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 3g43 s THR 62 Cb 0.00 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 3g43 s THR 62 CO 0.00 -0.62 0.08 -0.63 -0.54 0.00 0.00 174.62 172.91 3g43 s ILE 63 N -3.59 4.81 0.40 2.99 1.01 -0.73 -4.80 121.20 121.30 3g43 s ILE 63 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.90 3g43 s ILE 63 Cb 0.05 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3g43 s ILE 63 CO 0.01 0.41 0.36 1.51 0.00 0.00 0.00 174.94 177.23 3g43 s ASP 64 N 0.75 5.07 0.20 3.58 3.84 -1.26 0.38 116.67 129.23 3g43 s ASP 64 Ca 0.04 -0.71 -0.10 0.00 -0.00 0.00 0.00 52.55 51.78 3g43 s ASP 64 Cb -0.13 -0.63 0.26 0.00 -1.38 0.00 0.00 42.92 41.03 3g43 s ASP 64 CO 0.02 -0.60 1.76 0.15 -0.00 0.00 0.00 175.17 176.50 3g43 h PHE 65 N 1.07 0.45 -0.29 2.11 -0.00 -1.99 0.84 116.94 119.13 3g43 h PHE 65 Ca -0.42 0.03 0.05 0.00 -0.00 0.00 0.00 57.97 57.62 3g43 h PHE 65 Cb 1.26 -0.11 -0.04 0.00 -0.00 0.00 0.00 35.95 37.06 3g43 h PHE 65 CO 0.52 0.15 0.03 -1.35 -0.00 0.00 0.00 178.31 177.65 3g43 h PRO 66 N 0.46 0.12 -0.73 6.41 0.11 -1.96 0.63 132.00 137.05 3g43 h PRO 66 Ca 0.30 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 3g43 h PRO 66 Cb 0.32 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 3g43 h PRO 66 CO -0.27 0.08 0.34 0.93 -0.21 0.00 0.00 178.00 178.87 3g43 h GLU 67 N 0.12 1.06 0.45 1.05 5.08 -1.76 0.74 114.58 121.31 3g43 h GLU 67 Ca 0.14 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3g43 h GLU 67 Cb 0.17 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3g43 h GLU 67 CO -0.21 0.83 -0.21 0.35 -1.00 0.00 0.00 179.01 178.77 3g43 h PHE 68 N 1.02 -0.55 -0.83 4.33 3.57 0.03 -2.09 116.94 122.43 3g43 h PHE 68 Ca 0.25 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3g43 h PHE 68 Cb 0.13 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3g43 h PHE 68 CO 0.01 -0.33 0.52 1.25 -2.23 0.00 0.00 178.31 177.53 3g43 h LEU 69 N -0.62 0.85 -0.21 0.59 5.85 0.43 -0.22 115.31 121.97 3g43 h LEU 69 Ca -0.06 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3g43 h LEU 69 Cb 0.47 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3g43 h LEU 69 CO 0.10 0.57 0.02 0.74 -0.34 0.00 0.00 178.44 179.53 3g43 h THR 70 N 0.99 0.87 -0.35 1.05 2.02 -0.68 0.81 112.91 117.63 3g43 h THR 70 Ca 0.34 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.42 3g43 h THR 70 Cb 0.07 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3g43 h THR 70 CO -0.14 0.02 -0.06 -0.03 0.37 0.00 0.00 175.52 175.68 3g43 h MET 71 N 0.09 0.65 -0.33 6.66 1.85 -1.01 -1.21 114.93 121.63 3g43 h MET 71 Ca 0.10 -0.24 0.02 0.00 -0.61 0.00 0.00 59.70 58.97 3g43 h MET 71 Cb 0.11 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 3g43 h MET 71 CO -0.15 0.81 0.22 0.52 -0.40 0.00 0.00 176.91 177.91 3g43 h MET 72 N 0.45 0.35 -0.03 0.39 2.07 -0.78 0.12 114.93 117.50 3g43 h MET 72 Ca 0.09 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.65 3g43 h MET 72 Cb 0.56 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 3g43 h MET 72 CO 0.03 0.23 -0.19 0.00 1.07 0.00 0.00 176.91 178.05 3g43 h ALA 73 N 1.81 0.06 0.51 6.32 0.00 -0.50 -3.34 119.26 124.12 3g43 h ALA 73 Ca 0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3g43 h ALA 73 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3g43 h ALA 73 CO -0.03 0.04 -0.24 -0.09 0.00 0.00 0.00 179.25 178.93 3g43 h ARG 74 N -0.42 -0.66 -2.83 0.00 2.43 -0.83 -3.17 114.38 108.91 3g43 h ARG 74 Ca -0.02 0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.95 3g43 h ARG 74 Cb 0.87 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3g43 h ARG 74 CO 0.04 -0.35 1.21 1.17 -1.51 0.00 0.00 179.97 180.53 3g43 n LYS 75 N -5.29 1.70 0.00 0.20 4.81 0.40 -1.30 118.16 118.68 3g43 n LYS 75 Ca -0.11 -1.03 0.00 0.00 -0.87 0.00 0.00 58.31 56.30 3g43 n LYS 75 Cb 0.32 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3g43 n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3g43 n MET 76 N 3.33 0.00 0.00 1.64 1.56 -1.20 -4.87 117.12 117.59 3g43 n MET 76 Ca 0.36 -0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 3g43 n MET 76 Cb 0.38 -0.03 0.00 0.00 2.15 0.00 0.00 33.22 35.72 3g43 n MET 76 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87