#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx5 n GLN 3 N 0.00 0.25 -2.05 -0.67 3.00 -1.26 -5.08 117.38 111.57 1qx5 n GLN 3 Ca 0.00 -1.68 -0.33 0.00 -0.01 0.00 0.00 57.00 54.98 1qx5 n GLN 3 Cb 0.00 1.43 0.01 0.00 0.00 0.00 0.00 30.24 31.68 1qx5 n GLN 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1qx5 s LEU 4 N 0.00 3.51 0.31 1.08 1.43 -1.26 -5.07 118.68 118.68 1qx5 s LEU 4 Ca 0.20 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 1qx5 s LEU 4 Cb 0.01 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 1qx5 s LEU 4 CO 0.14 -1.19 0.34 0.42 0.23 0.00 0.00 176.35 176.29 1qx5 s THR 5 N -2.42 4.02 0.37 5.49 -4.23 -1.26 -4.93 115.64 112.69 1qx5 s THR 5 Ca 0.64 -1.22 0.10 0.00 -1.18 0.00 0.00 61.69 60.03 1qx5 s THR 5 Cb -0.16 -3.36 0.33 0.00 1.34 0.00 0.00 72.50 70.65 1qx5 s THR 5 CO 0.36 -0.21 1.88 -0.33 -0.54 0.00 0.00 174.62 175.78 1qx5 h GLU 6 N 1.17 0.62 -0.10 3.99 4.39 -1.99 0.20 114.58 122.87 1qx5 h GLU 6 Ca -0.46 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.23 1qx5 h GLU 6 Cb 1.25 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1qx5 h GLU 6 CO 0.57 0.41 -0.07 1.49 -1.16 0.00 0.00 179.01 180.25 1qx5 h GLU 7 N 0.64 -0.08 -0.46 2.33 4.81 -2.00 -2.08 114.58 117.73 1qx5 h GLU 7 Ca 0.43 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1qx5 h GLU 7 Cb 0.74 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1qx5 h GLU 7 CO -0.19 -0.05 0.11 1.96 -0.73 0.00 0.00 179.01 180.11 1qx5 h GLN 8 N -0.08 0.74 -0.94 1.92 4.20 -1.11 -2.57 115.11 117.28 1qx5 h GLN 8 Ca 0.06 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.64 1qx5 h GLN 8 Cb 0.17 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1qx5 h GLN 8 CO -0.15 0.73 0.60 0.82 -0.67 0.00 0.00 178.83 180.17 1qx5 h ILE 9 N 0.62 1.11 -0.46 2.54 2.04 -0.49 -0.56 117.51 122.32 1qx5 h ILE 9 Ca 0.15 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1qx5 h ILE 9 Cb 0.32 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1qx5 h ILE 9 CO 0.00 0.21 0.22 0.00 0.00 0.00 0.00 178.15 178.58 1qx5 h ALA 10 N 1.41 0.59 0.31 1.87 0.00 -1.32 0.29 119.26 122.41 1qx5 h ALA 10 Ca 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1qx5 h ALA 10 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qx5 h ALA 10 CO -0.15 0.16 -0.19 0.93 0.00 0.00 0.00 179.25 180.00 1qx5 h GLU 11 N 0.60 -0.46 -0.31 0.00 4.39 -0.80 0.20 114.58 118.20 1qx5 h GLU 11 Ca 0.16 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.92 1qx5 h GLU 11 Cb 0.12 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1qx5 h GLU 11 CO -0.02 -0.31 0.13 0.74 -1.16 0.00 0.00 179.01 178.39 1qx5 h PHE 12 N -0.48 0.23 -0.76 4.33 0.04 -0.98 0.53 116.94 119.85 1qx5 h PHE 12 Ca -0.03 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.77 1qx5 h PHE 12 Cb 0.40 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 1qx5 h PHE 12 CO -0.09 0.11 0.50 -0.22 -0.60 0.00 0.00 178.31 178.01 1qx5 h LYS 13 N 0.27 0.98 0.19 1.51 3.11 -0.04 0.64 116.57 123.22 1qx5 h LYS 13 Ca 0.13 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 1qx5 h LYS 13 Cb 0.08 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.09 1qx5 h LYS 13 CO -0.12 0.65 -0.09 1.49 -2.81 0.00 0.00 179.45 178.56 1qx5 h GLU 14 N 1.01 -0.25 -0.03 1.90 4.81 -0.06 0.52 114.58 122.48 1qx5 h GLU 14 Ca 0.29 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1qx5 h GLU 14 Cb -0.08 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1qx5 h GLU 14 CO -0.08 0.10 -0.07 0.00 -0.73 0.00 0.00 179.01 178.23 1qx5 h ALA 15 N 0.07 -0.05 -0.15 2.92 0.00 0.68 -0.09 119.26 122.65 1qx5 h ALA 15 Ca -0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1qx5 h ALA 15 Cb 0.46 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1qx5 h ALA 15 CO 0.04 -0.56 -0.35 0.35 0.00 0.00 0.00 179.25 178.74 1qx5 h PHE 16 N -0.11 -0.97 -0.35 0.00 3.57 0.35 -2.14 116.94 117.29 1qx5 h PHE 16 Ca 0.04 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1qx5 h PHE 16 Cb 0.16 0.45 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1qx5 h PHE 16 CO -0.15 -0.42 -0.01 1.03 -2.23 0.00 0.00 178.31 176.53 1qx5 h SER 17 N -0.41 -0.16 -0.87 0.41 0.87 -0.60 -2.86 113.55 109.92 1qx5 h SER 17 Ca 0.10 0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.89 1qx5 h SER 17 Cb 0.57 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.53 1qx5 h SER 17 CO -0.38 -0.05 -0.33 0.25 -0.53 0.00 0.00 176.83 175.80 1qx5 h LEU 18 N 0.09 -1.20 -4.30 2.23 6.46 -0.33 0.37 115.31 118.63 1qx5 h LEU 18 Ca 0.17 0.28 -0.63 0.00 -0.12 0.00 0.00 57.88 57.59 1qx5 h LEU 18 Cb 0.24 0.66 -0.24 0.00 -0.73 0.00 0.00 40.66 40.58 1qx5 h LEU 18 CO -0.30 -0.29 0.79 0.49 -0.62 0.00 0.00 178.44 178.51 1qx5 n PHE 19 N -5.49 2.65 -3.12 1.25 3.01 -1.08 -4.37 117.46 110.31 1qx5 n PHE 19 Ca 0.10 -2.49 -0.19 0.00 1.01 0.00 0.00 57.45 55.88 1qx5 n PHE 19 Cb 0.40 -1.29 -0.03 0.00 -0.01 0.00 0.00 39.48 38.56 1qx5 n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1qx5 n ASP 20 N -0.34 0.03 -0.30 4.37 2.03 0.13 -4.99 116.55 117.48 1qx5 n ASP 20 Ca 0.53 -2.96 0.10 0.00 0.52 0.00 0.00 54.79 52.98 1qx5 n ASP 20 Cb 0.50 -0.24 0.22 0.00 -0.72 0.00 0.00 41.12 40.87 1qx5 n ASP 20 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1qx5 h LYS 21 N 3.48 0.06 -0.28 -0.67 -0.00 -1.76 -2.85 116.57 114.54 1qx5 h LYS 21 Ca 0.05 -0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.73 1qx5 h LYS 21 Cb 0.95 -0.01 -0.04 0.00 -0.00 0.00 0.00 32.23 33.12 1qx5 h LYS 21 CO 0.44 0.04 -0.26 -0.44 -0.00 0.00 0.00 179.45 179.23 1qx5 h ASP 22 N 0.07 -0.90 0.00 7.07 3.32 -1.96 -3.46 116.42 120.55 1qx5 h ASP 22 Ca 0.50 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.68 1qx5 h ASP 22 Cb 0.96 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1qx5 h ASP 22 CO -0.80 -0.16 0.00 0.61 -1.72 0.00 0.00 179.24 177.17 1qx5 n GLY 23 N -1.15 1.20 0.00 2.75 0.00 -1.08 -5.06 105.19 101.86 1qx5 n GLY 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qx5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qx5 n ASP 24 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.06 116.55 117.59 1qx5 n ASP 24 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1qx5 n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1qx5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qx5 n GLY 25 N 2.42 -0.49 2.97 6.12 0.00 -1.26 -5.02 105.19 109.93 1qx5 n GLY 25 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1qx5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qx5 s THR 26 N 0.00 0.07 -0.21 2.61 -4.23 -1.25 -3.55 115.64 109.07 1qx5 s THR 26 Ca 0.00 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.79 1qx5 s THR 26 Cb 0.00 -0.20 0.06 0.00 1.34 0.00 0.00 72.50 73.70 1qx5 s THR 26 CO 0.00 -0.30 0.54 0.27 -0.54 0.00 0.00 174.62 174.59 1qx5 s ILE 27 N -0.91 -0.01 0.72 2.99 -4.36 -0.77 -4.91 121.20 113.95 1qx5 s ILE 27 Ca -0.10 0.02 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 1qx5 s ILE 27 Cb -0.06 -0.77 0.16 0.00 1.25 0.00 0.00 42.46 43.04 1qx5 s ILE 27 CO -0.00 0.01 0.97 0.35 0.24 0.00 0.00 174.94 176.51 1qx5 n THR 28 N 3.38 0.00 -0.24 8.37 -2.24 -1.26 -0.76 114.28 121.52 1qx5 n THR 28 Ca -0.17 -0.74 0.07 0.00 -2.27 0.00 0.00 64.05 60.94 1qx5 n THR 28 Cb 0.56 -1.61 0.32 0.00 -2.10 0.00 0.00 70.33 67.50 1qx5 n THR 28 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1qx5 h THR 29 N -1.53 0.99 0.53 4.28 2.02 -1.95 0.61 112.91 117.86 1qx5 h THR 29 Ca -0.32 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1qx5 h THR 29 Cb 0.88 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1qx5 h THR 29 CO 0.23 0.15 -0.25 0.50 0.37 0.00 0.00 175.52 176.52 1qx5 h LYS 30 N 0.84 -0.68 -0.59 6.66 1.63 -1.92 -2.05 116.57 120.45 1qx5 h LYS 30 Ca 0.37 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.28 1qx5 h LYS 30 Cb 0.34 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1qx5 h LYS 30 CO -0.14 -0.46 0.39 0.93 -3.45 0.00 0.00 179.45 176.72 1qx5 h GLU 31 N -0.75 0.54 -0.83 1.90 5.08 -1.52 0.19 114.58 119.18 1qx5 h GLU 31 Ca -0.07 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1qx5 h GLU 31 Cb 0.54 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1qx5 h GLU 31 CO 0.12 0.36 0.51 1.25 -1.00 0.00 0.00 179.01 180.25 1qx5 h LEU 32 N 0.56 0.80 -0.10 1.33 5.85 0.43 -0.10 115.31 124.08 1qx5 h LEU 32 Ca 0.26 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1qx5 h LEU 32 Cb 0.30 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1qx5 h LEU 32 CO -0.07 0.51 -0.03 1.23 -0.34 0.00 0.00 178.44 179.74 1qx5 h GLY 33 N 0.94 0.06 0.89 3.75 0.00 0.10 -0.43 103.07 108.38 1qx5 h GLY 33 Ca 0.36 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.77 1qx5 h GLY 33 CO -0.17 -0.05 0.52 -0.84 0.00 0.00 0.00 176.54 176.00 1qx5 h THR 34 N -0.02 1.14 -0.64 4.70 2.02 -1.03 0.21 112.91 119.30 1qx5 h THR 34 Ca 0.05 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1qx5 h THR 34 Cb 0.09 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1qx5 h THR 34 CO -0.11 0.19 0.25 0.58 0.37 0.00 0.00 175.52 176.79 1qx5 h VAL 35 N 1.02 1.24 -0.75 3.16 2.07 -0.46 0.12 116.25 122.65 1qx5 h VAL 35 Ca 0.32 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1qx5 h VAL 35 Cb -0.01 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1qx5 h VAL 35 CO -0.11 0.30 0.33 0.24 0.02 0.00 0.00 177.57 178.35 1qx5 h MET 36 N 0.90 1.08 -0.20 1.57 2.86 -0.50 -2.49 114.93 118.15 1qx5 h MET 36 Ca 0.21 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 1qx5 h MET 36 Cb 0.22 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1qx5 h MET 36 CO -0.02 0.85 -0.40 0.00 1.06 0.00 0.00 176.91 178.40 1qx5 h ARG 37 N 1.07 0.63 -0.26 1.72 3.08 0.15 0.35 114.38 121.11 1qx5 h ARG 37 Ca 0.25 -0.41 0.08 0.00 0.07 0.00 0.00 59.98 59.98 1qx5 h ARG 37 Cb 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1qx5 h ARG 37 CO -0.03 1.02 0.31 0.66 -1.07 0.00 0.00 179.97 180.86 1qx5 h SER 38 N 0.31 0.00 -0.39 7.04 4.64 -0.86 0.17 113.55 124.46 1qx5 h SER 38 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1qx5 h SER 38 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1qx5 h SER 38 CO 0.09 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 1qx5 n LEU 39 N -3.69 2.51 0.00 5.97 4.77 -0.81 -4.93 117.00 120.83 1qx5 n LEU 39 Ca 0.04 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1qx5 n LEU 39 Cb 0.45 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1qx5 n LEU 39 CO 0.26 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1qx5 n GLY 40 N 1.28 0.78 3.93 -0.72 0.00 0.58 -5.04 105.19 106.00 1qx5 n GLY 40 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1qx5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qx5 s GLN 41 N -0.55 3.24 -0.41 1.61 -1.52 0.05 -4.37 119.66 117.71 1qx5 s GLN 41 Ca 0.00 -0.89 0.08 0.00 -1.95 0.00 0.00 55.36 52.59 1qx5 s GLN 41 Cb 0.00 -2.78 0.25 0.00 -0.22 0.00 0.00 33.01 30.25 1qx5 s GLN 41 CO 0.00 0.36 0.57 -1.71 -0.25 0.00 0.00 175.29 174.25 1qx5 n ASN 42 N -1.38 -0.33 -4.75 5.90 4.05 -1.26 -3.49 115.26 114.01 1qx5 n ASN 42 Ca -0.07 -2.77 -0.34 0.00 0.45 0.00 0.00 54.58 51.85 1qx5 n ASN 42 Cb 0.57 -0.26 0.07 0.00 1.23 0.00 0.00 39.78 41.39 1qx5 n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1qx5 s PRO 43 N -0.85 2.52 0.88 1.20 0.04 -1.26 -5.04 135.00 132.49 1qx5 s PRO 43 Ca 0.34 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1qx5 s PRO 43 Cb 0.17 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 33.00 1qx5 s PRO 43 CO -0.13 -1.51 1.21 0.95 0.04 0.00 0.00 177.00 177.55 1qx5 s THR 44 N -2.10 2.04 0.18 1.26 -4.23 -1.26 -4.90 115.64 106.64 1qx5 s THR 44 Ca 0.71 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.90 1qx5 s THR 44 Cb -0.25 -2.81 0.09 0.00 1.34 0.00 0.00 72.50 70.86 1qx5 s THR 44 CO 0.42 0.00 1.70 -0.33 -0.54 0.00 0.00 174.62 175.87 1qx5 h GLU 45 N -1.25 1.04 -0.39 3.99 3.07 -1.99 -2.39 114.58 116.66 1qx5 h GLU 45 Ca -0.41 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.36 58.13 1qx5 h GLU 45 Cb 1.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1qx5 h GLU 45 CO 0.38 0.94 -0.01 0.00 -1.40 0.00 0.00 179.01 178.91 1qx5 h ALA 46 N 1.06 0.53 -0.61 3.43 0.00 -1.99 -1.26 119.26 120.41 1qx5 h ALA 46 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qx5 h ALA 46 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1qx5 h ALA 46 CO 0.00 0.32 0.40 0.93 0.00 0.00 0.00 179.25 180.90 1qx5 h GLU 47 N 0.53 0.81 0.11 0.00 5.08 -1.90 -2.18 114.58 117.02 1qx5 h GLU 47 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1qx5 h GLU 47 Cb 0.49 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1qx5 h GLU 47 CO 0.02 0.54 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.46 1qx5 h LEU 48 N 0.83 -0.12 -0.72 1.33 3.38 -1.25 -2.82 115.31 115.95 1qx5 h LEU 48 Ca 0.22 -0.40 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1qx5 h LEU 48 Cb -0.08 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 1qx5 h LEU 48 CO -0.05 0.37 0.06 1.56 0.09 0.00 0.00 178.44 180.47 1qx5 h GLN 49 N -0.65 0.15 -0.16 1.13 1.08 -1.05 -0.74 115.11 114.86 1qx5 h GLN 49 Ca -0.01 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1qx5 h GLN 49 Cb 0.51 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1qx5 h GLN 49 CO 0.02 0.10 0.08 -0.44 -0.95 0.00 0.00 178.83 177.65 1qx5 h ASP 50 N 0.16 0.13 -0.10 1.46 5.19 -1.40 -0.16 116.42 121.68 1qx5 h ASP 50 Ca 0.39 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.85 1qx5 h ASP 50 Cb 0.68 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 1qx5 h ASP 50 CO -0.58 0.10 -0.24 0.24 -3.12 0.00 0.00 179.24 175.63 1qx5 h MET 51 N 0.18 -0.31 -0.07 3.56 2.86 -0.92 0.31 114.93 120.54 1qx5 h MET 51 Ca 0.07 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1qx5 h MET 51 Cb 0.01 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1qx5 h MET 51 CO -0.04 -0.21 0.05 0.82 1.06 0.00 0.00 176.91 178.59 1qx5 h ILE 52 N -0.32 1.03 0.00 -1.22 5.03 -0.97 -0.42 117.51 120.63 1qx5 h ILE 52 Ca 0.09 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1qx5 h ILE 52 Cb 0.46 0.94 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 1qx5 h ILE 52 CO -0.29 0.03 0.00 0.59 -0.68 0.00 0.00 178.15 177.80 1qx5 n ASN 53 N -5.03 0.37 -0.08 1.72 5.03 -0.10 -1.31 115.26 115.87 1qx5 n ASN 53 Ca -0.06 0.65 -0.15 0.00 0.87 0.00 0.00 54.58 55.90 1qx5 n ASN 53 Cb 0.03 -0.71 -0.12 0.00 -1.02 0.00 0.00 39.78 37.97 1qx5 n ASN 53 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1qx5 h GLU 54 N 0.00 0.00 0.00 3.52 4.57 0.11 -3.39 114.58 119.40 1qx5 h GLU 54 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1qx5 h GLU 54 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1qx5 h GLU 54 CO 0.00 0.91 0.00 0.28 -1.18 0.00 0.00 179.01 179.02 1qx5 n VAL 55 N -4.58 0.00 -1.85 0.32 0.31 -0.33 -4.51 118.33 107.69 1qx5 n VAL 55 Ca -0.14 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.97 1qx5 n VAL 55 Cb 0.49 -0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 33.05 1qx5 n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1qx5 s ASP 56 N -1.44 4.29 -0.05 4.52 -0.00 -1.00 -4.64 116.67 118.35 1qx5 s ASP 56 Ca 0.00 -1.21 0.07 0.00 -0.00 0.00 0.00 52.55 51.41 1qx5 s ASP 56 Cb 0.00 -2.59 0.29 0.00 -0.00 0.00 0.00 42.92 40.62 1qx5 s ASP 56 CO 0.00 -3.82 1.07 0.00 -0.00 0.00 0.00 175.17 172.42 1qx5 n ALA 57 N 16.85 2.80 -0.45 5.23 0.00 -1.26 -3.85 120.51 139.83 1qx5 n ALA 57 Ca 0.43 -0.63 0.09 0.00 0.00 0.00 0.00 53.44 53.32 1qx5 n ALA 57 Cb 0.46 -1.02 0.34 0.00 0.00 0.00 0.00 19.45 19.23 1qx5 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qx5 n ASP 58 N 0.27 4.49 0.00 0.00 5.68 -1.26 -4.95 116.55 120.78 1qx5 n ASP 58 Ca 0.10 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 1qx5 n ASP 58 Cb 0.46 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1qx5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qx5 n GLY 59 N 1.08 2.81 0.26 6.12 0.00 -1.25 -4.87 105.19 109.33 1qx5 n GLY 59 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1qx5 n GLY 59 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qx5 h ASN 60 N 0.00 0.11 0.00 1.61 -0.00 -1.93 -3.46 115.58 111.92 1qx5 h ASN 60 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1qx5 h ASN 60 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1qx5 h ASN 60 CO 0.00 0.03 0.00 0.61 -0.00 0.00 0.00 177.43 178.07 1qx5 n GLY 61 N -1.33 0.39 3.33 1.57 0.00 -1.25 -5.05 105.19 102.84 1qx5 n GLY 61 Ca 0.13 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1qx5 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qx5 n THR 62 N -3.05 0.00 -4.10 2.61 -2.24 -1.26 -3.81 114.28 102.43 1qx5 n THR 62 Ca 0.00 -2.21 -0.14 0.00 -2.27 0.00 0.00 64.05 59.42 1qx5 n THR 62 Cb 0.03 0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 1qx5 n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1qx5 s ILE 63 N -2.72 0.41 0.10 2.28 1.01 0.06 -3.71 121.20 118.64 1qx5 s ILE 63 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1qx5 s ILE 63 Cb 0.00 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1qx5 s ILE 63 CO 0.01 -0.10 0.24 -1.81 0.00 0.00 0.00 174.94 173.29 1qx5 s ASP 64 N -0.69 6.32 0.18 3.58 1.01 -1.26 -1.85 116.67 123.96 1qx5 s ASP 64 Ca -0.03 0.21 -0.14 0.00 0.71 0.00 0.00 52.55 53.30 1qx5 s ASP 64 Cb -0.05 -1.92 0.11 0.00 1.01 0.00 0.00 42.92 42.07 1qx5 s ASP 64 CO -0.00 0.11 1.80 0.15 0.21 0.00 0.00 175.17 177.44 1qx5 h PHE 65 N 2.63 0.52 -0.93 4.23 3.57 -1.95 -0.99 116.94 124.02 1qx5 h PHE 65 Ca -0.47 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.18 1qx5 h PHE 65 Cb 1.18 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.67 1qx5 h PHE 65 CO 0.57 0.28 0.55 -1.35 -2.23 0.00 0.00 178.31 176.14 1qx5 h PRO 66 N 0.55 0.82 0.00 6.41 0.11 -1.95 0.34 132.00 138.29 1qx5 h PRO 66 Ca 0.21 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1qx5 h PRO 66 Cb 0.06 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1qx5 h PRO 66 CO -0.12 0.54 -0.00 0.93 -0.21 0.00 0.00 178.00 179.15 1qx5 h GLU 67 N 0.85 -0.00 -0.73 1.05 5.08 -1.78 -0.39 114.58 118.65 1qx5 h GLU 67 Ca 0.47 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.99 1qx5 h GLU 67 Cb 0.53 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 1qx5 h GLU 67 CO -0.29 0.20 0.20 0.35 -1.00 0.00 0.00 179.01 178.47 1qx5 h PHE 68 N -0.20 0.33 -0.38 4.33 3.04 0.02 0.79 116.94 124.86 1qx5 h PHE 68 Ca -0.00 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1qx5 h PHE 68 Cb 0.20 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1qx5 h PHE 68 CO -0.01 -0.05 0.10 1.25 -2.02 0.00 0.00 178.31 177.59 1qx5 h LEU 69 N 0.31 0.57 -0.82 0.59 5.85 0.01 -0.55 115.31 121.26 1qx5 h LEU 69 Ca 0.41 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1qx5 h LEU 69 Cb 0.68 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1qx5 h LEU 69 CO -0.48 0.64 0.49 0.74 -0.34 0.00 0.00 178.44 179.49 1qx5 h THR 70 N 0.47 0.97 -0.11 1.05 2.02 -0.05 -0.51 112.91 116.75 1qx5 h THR 70 Ca 0.12 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1qx5 h THR 70 Cb 0.29 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1qx5 h THR 70 CO -0.00 0.16 -0.15 -0.03 0.37 0.00 0.00 175.52 175.86 1qx5 h MET 71 N 0.86 0.30 -0.02 6.66 1.85 -0.60 -2.97 114.93 121.00 1qx5 h MET 71 Ca 0.38 -0.17 0.01 0.00 -0.61 0.00 0.00 59.70 59.30 1qx5 h MET 71 Cb 0.26 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.31 1qx5 h MET 71 CO -0.21 0.74 0.02 0.52 -0.40 0.00 0.00 176.91 177.58 1qx5 h MET 72 N -0.11 0.00 0.00 0.39 2.07 -0.67 0.10 114.93 116.71 1qx5 h MET 72 Ca 0.01 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.62 1qx5 h MET 72 Cb 0.70 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.43 1qx5 h MET 72 CO 0.04 0.00 -0.13 0.00 1.07 0.00 0.00 176.91 177.89 1qx5 h ALA 73 N 1.98 1.23 0.03 6.32 0.00 -0.93 -2.27 119.26 125.61 1qx5 h ALA 73 Ca 0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1qx5 h ALA 73 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qx5 h ALA 73 CO -0.00 0.16 -0.51 0.00 0.00 0.00 0.00 179.25 178.90 1qx5 h ARG 74 N 0.00 0.06 0.34 0.00 3.08 -0.85 -3.41 114.38 113.61 1qx5 h ARG 74 Ca -0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1qx5 h ARG 74 Cb 0.39 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1qx5 h ARG 74 CO 0.02 1.05 -0.18 0.87 -1.07 0.00 0.00 179.97 180.66 1qx5 h LYS 75 N -0.86 -0.46 -1.52 0.04 1.79 -1.37 -3.27 116.57 110.92 1qx5 h LYS 75 Ca -0.12 0.03 0.44 0.00 -2.18 0.00 0.00 60.65 58.82 1qx5 h LYS 75 Cb 1.22 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.91 1qx5 h LYS 75 CO -0.02 -0.31 1.30 0.52 -1.08 0.00 0.00 179.45 179.86 1qx5 h MET 76 N -0.48 0.00 0.00 3.15 2.86 -1.63 -0.48 114.93 118.35 1qx5 h MET 76 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1qx5 h MET 76 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1qx5 h MET 76 CO 0.07 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.67 1qx5 n LYS 77 N -3.64 0.09 0.00 1.72 5.02 -1.23 -3.75 118.16 116.37 1qx5 n LYS 77 Ca 0.34 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1qx5 n LYS 77 Cb 1.76 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1qx5 n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qx5 n ASP 78 N -0.87 0.00 -2.53 4.39 2.03 -0.19 -5.05 116.55 114.33 1qx5 n ASP 78 Ca 0.02 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.99 1qx5 n ASP 78 Cb 0.01 -0.05 -0.07 0.00 -0.72 0.00 0.00 41.12 40.28 1qx5 n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1qx5 n THR 79 N -1.93 0.00 -2.86 5.18 -1.04 -1.25 -4.95 114.28 107.43 1qx5 n THR 79 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1qx5 n THR 79 Cb 0.00 -0.30 0.07 0.00 -1.82 0.00 0.00 70.33 68.29 1qx5 n THR 79 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1qx5 s ASP 80 N 3.78 4.87 0.20 8.00 1.47 -1.26 -5.02 116.67 128.71 1qx5 s ASP 80 Ca 0.72 -0.63 -0.01 0.00 1.18 0.00 0.00 52.55 53.81 1qx5 s ASP 80 Cb -0.87 0.10 0.15 0.00 -0.34 0.00 0.00 42.92 41.95 1qx5 s ASP 80 CO 0.38 -1.48 1.52 0.28 0.68 0.00 0.00 175.17 176.54 1qx5 h SER 81 N -0.05 0.54 -0.76 2.11 0.02 -2.01 -3.24 113.55 110.16 1qx5 h SER 81 Ca -0.33 -0.29 0.16 0.00 -0.84 0.00 0.00 61.79 60.49 1qx5 h SER 81 Cb 1.28 -0.15 -0.11 0.00 0.14 0.00 0.00 62.40 63.56 1qx5 h SER 81 CO 0.41 0.99 0.26 -0.08 -1.14 0.00 0.00 176.83 177.26 1qx5 h GLU 82 N 0.37 0.35 -0.25 3.45 4.81 -1.99 -0.53 114.58 120.78 1qx5 h GLU 82 Ca 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1qx5 h GLU 82 Cb 1.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1qx5 h GLU 82 CO 0.10 0.23 0.13 1.49 -0.73 0.00 0.00 179.01 180.23 1qx5 h GLU 83 N 0.36 0.27 -0.05 1.92 4.81 -1.96 0.88 114.58 120.80 1qx5 h GLU 83 Ca 0.43 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1qx5 h GLU 83 Cb 0.72 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1qx5 h GLU 83 CO -0.47 0.18 -0.33 0.93 -0.73 0.00 0.00 179.01 178.59 1qx5 h GLU 84 N 0.28 0.10 0.29 1.92 5.08 -1.39 -1.23 114.58 119.62 1qx5 h GLU 84 Ca 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1qx5 h GLU 84 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1qx5 h GLU 84 CO -0.06 0.42 -0.14 0.82 -1.00 0.00 0.00 179.01 179.05 1qx5 h ILE 85 N 0.09 0.70 -0.84 3.13 1.08 -0.71 -2.38 117.51 118.57 1qx5 h ILE 85 Ca 0.01 -0.68 0.20 0.00 -0.39 0.00 0.00 64.86 64.01 1qx5 h ILE 85 Cb 0.62 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 1qx5 h ILE 85 CO 0.05 0.13 0.57 -0.09 -0.69 0.00 0.00 178.15 178.12 1qx5 h ARG 86 N -0.78 0.28 -0.15 2.37 2.43 -0.39 -0.17 114.38 117.97 1qx5 h ARG 86 Ca -0.04 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.89 1qx5 h ARG 86 Cb 0.51 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1qx5 h ARG 86 CO 0.07 0.18 -0.79 0.93 -1.51 0.00 0.00 179.97 178.85 1qx5 h GLU 87 N 0.28 0.78 0.15 0.20 4.39 -1.10 -0.12 114.58 119.17 1qx5 h GLU 87 Ca 0.43 -0.65 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1qx5 h GLU 87 Cb 1.22 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1qx5 h GLU 87 CO -0.12 1.25 -0.12 0.00 -1.16 0.00 0.00 179.01 178.86 1qx5 h ALA 88 N 0.56 -0.26 -0.85 3.43 0.00 -0.53 -0.64 119.26 120.96 1qx5 h ALA 88 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1qx5 h ALA 88 Cb 1.42 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1qx5 h ALA 88 CO 0.16 -0.66 0.44 0.74 0.00 0.00 0.00 179.25 179.93 1qx5 h PHE 89 N -0.29 1.20 -0.07 0.00 -1.00 -1.30 -0.83 116.94 114.65 1qx5 h PHE 89 Ca -0.01 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.75 1qx5 h PHE 89 Cb 0.26 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 1qx5 h PHE 89 CO -0.11 0.85 0.11 0.00 -1.61 0.00 0.00 178.31 177.55 1qx5 h ARG 90 N 1.20 0.00 -0.29 1.51 3.08 -0.43 0.07 114.38 119.52 1qx5 h ARG 90 Ca 0.30 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.42 1qx5 h ARG 90 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1qx5 h ARG 90 CO -0.04 0.00 0.20 0.28 -1.07 0.00 0.00 179.97 179.34 1qx5 h VAL 91 N 0.00 0.89 0.00 2.04 2.07 0.39 -1.74 116.25 119.90 1qx5 h VAL 91 Ca 0.04 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1qx5 h VAL 91 Cb 0.25 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1qx5 h VAL 91 CO -0.00 0.01 -0.30 -0.26 0.02 0.00 0.00 177.57 177.05 1qx5 h PHE 92 N 0.07 0.00 -2.32 1.57 0.04 -1.10 -3.41 116.94 111.79 1qx5 h PHE 92 Ca 0.13 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.18 1qx5 h PHE 92 Cb 0.44 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.41 1qx5 h PHE 92 CO -0.00 0.00 1.12 0.34 -0.60 0.00 0.00 178.31 179.17 1qx5 s ASP 93 N -4.51 6.91 0.29 2.17 2.15 -0.66 -4.63 116.67 118.40 1qx5 s ASP 93 Ca 0.08 -2.67 -0.01 0.00 0.43 0.00 0.00 52.55 50.38 1qx5 s ASP 93 Cb 0.12 -2.39 0.43 0.00 -0.30 0.00 0.00 42.92 40.79 1qx5 s ASP 93 CO 0.66 -0.84 1.90 0.11 -0.17 0.00 0.00 175.17 176.82 1qx5 h LYS 94 N 7.75 0.93 -0.32 4.34 1.57 -1.81 -3.10 116.57 125.94 1qx5 h LYS 94 Ca 0.25 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1qx5 h LYS 94 Cb 0.93 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1qx5 h LYS 94 CO 1.18 0.72 0.00 -0.40 -0.57 0.00 0.00 179.45 180.38 1qx5 n ASP 95 N -4.34 4.06 -3.58 0.86 5.75 -1.26 -4.99 116.55 113.05 1qx5 n ASP 95 Ca 0.06 -2.89 -0.26 0.00 -0.01 0.00 0.00 54.79 51.69 1qx5 n ASP 95 Cb 0.13 -0.53 0.05 0.00 -1.03 0.00 0.00 41.12 39.74 1qx5 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qx5 n GLY 96 N -0.21 -0.52 0.52 6.12 0.00 -1.17 -4.89 105.19 105.03 1qx5 n GLY 96 Ca 0.21 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.49 1qx5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qx5 n ASN 97 N -2.80 2.23 0.00 1.61 2.04 -1.26 -4.96 115.26 112.11 1qx5 n ASN 97 Ca -0.00 -1.62 0.00 0.00 -0.44 0.00 0.00 54.58 52.52 1qx5 n ASN 97 Cb 0.56 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 1qx5 n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1qx5 n GLY 98 N 0.63 0.77 3.35 4.83 0.00 -1.26 -5.05 105.19 108.46 1qx5 n GLY 98 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1qx5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qx5 s TYR 99 N -2.21 1.92 0.22 1.61 2.02 -1.26 -5.11 117.35 114.54 1qx5 s TYR 99 Ca 0.00 -0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 56.14 1qx5 s TYR 99 Cb 0.00 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 1qx5 s TYR 99 CO 0.00 0.37 0.40 0.96 -1.57 0.00 0.00 175.55 175.71 1qx5 s ILE 100 N -2.01 0.02 -0.36 2.71 -4.36 -1.26 -4.34 121.20 111.60 1qx5 s ILE 100 Ca 0.17 -1.40 -0.20 0.00 -0.26 0.00 0.00 60.65 58.96 1qx5 s ILE 100 Cb -0.06 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.58 1qx5 s ILE 100 CO 0.07 -0.09 0.64 -0.55 0.24 0.00 0.00 174.94 175.25 1qx5 s SER 101 N -3.00 6.42 0.23 4.36 0.15 -1.26 -4.92 113.70 115.67 1qx5 s SER 101 Ca 0.21 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.90 1qx5 s SER 101 Cb 0.01 -2.33 0.37 0.00 -1.71 0.00 0.00 66.02 62.36 1qx5 s SER 101 CO 0.06 -0.61 1.73 0.00 1.20 0.00 0.00 173.24 175.61 1qx5 h ALA 102 N 8.50 0.90 -0.10 5.45 0.00 -2.00 0.18 119.26 132.20 1qx5 h ALA 102 Ca -0.26 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1qx5 h ALA 102 Cb 1.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1qx5 h ALA 102 CO 0.84 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 1qx5 h ALA 103 N 1.49 0.05 -0.67 0.00 0.00 -2.00 -1.64 119.26 116.50 1qx5 h ALA 103 Ca 0.36 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1qx5 h ALA 103 Cb 0.51 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1qx5 h ALA 103 CO -0.38 -0.50 0.20 0.93 0.00 0.00 0.00 179.25 179.51 1qx5 h GLU 104 N -0.02 1.03 0.51 0.00 5.08 -1.18 0.11 114.58 120.12 1qx5 h GLU 104 Ca 0.05 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1qx5 h GLU 104 Cb 0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qx5 h GLU 104 CO -0.11 0.89 -0.39 1.25 -1.00 0.00 0.00 179.01 179.64 1qx5 h LEU 105 N 0.99 -1.03 -0.13 1.33 6.46 -0.51 0.89 115.31 123.32 1qx5 h LEU 105 Ca 0.22 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 58.09 1qx5 h LEU 105 Cb 0.29 0.32 -0.04 0.00 -0.73 0.00 0.00 40.66 40.50 1qx5 h LEU 105 CO -0.01 -0.58 -0.12 -0.09 -0.62 0.00 0.00 178.44 177.03 1qx5 h ARG 106 N -0.89 -0.14 -0.42 1.25 1.12 -1.15 0.76 114.38 114.92 1qx5 h ARG 106 Ca -0.06 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.75 1qx5 h ARG 106 Cb 0.75 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.72 1qx5 h ARG 106 CO 0.01 -0.09 -0.05 1.25 -3.11 0.00 0.00 179.97 177.98 1qx5 h HIS 107 N -0.14 0.75 0.02 2.20 2.76 -0.58 0.55 115.15 120.72 1qx5 h HIS 107 Ca 0.09 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1qx5 h HIS 107 Cb 0.27 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1qx5 h HIS 107 CO -0.24 0.74 -0.01 0.28 -1.30 0.00 0.00 177.93 177.39 1qx5 h VAL 108 N 0.65 1.39 -0.35 5.26 2.07 -0.05 -2.63 116.25 122.60 1qx5 h VAL 108 Ca 0.12 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1qx5 h VAL 108 Cb 0.48 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1qx5 h VAL 108 CO 0.02 0.34 -0.01 0.24 0.02 0.00 0.00 177.57 178.19 1qx5 h MET 109 N -0.62 0.63 0.05 1.57 2.86 0.75 -1.44 114.93 118.73 1qx5 h MET 109 Ca -0.00 -0.20 -0.38 0.00 -2.06 0.00 0.00 59.70 57.06 1qx5 h MET 109 Cb 0.58 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1qx5 h MET 109 CO 0.01 0.75 -2.26 0.25 1.06 0.00 0.00 176.91 176.72 1qx5 n THR 110 N -4.49 1.61 0.02 2.22 -2.24 0.16 -3.05 114.28 108.51 1qx5 n THR 110 Ca -0.02 -0.62 -0.02 0.00 -2.27 0.00 0.00 64.05 61.12 1qx5 n THR 110 Cb 0.28 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.00 1qx5 n THR 110 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1qx5 h ASN 111 N 0.03 -0.12 -0.48 3.42 -0.73 -1.54 -2.92 115.58 113.24 1qx5 h ASN 111 Ca -0.51 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.54 1qx5 h ASN 111 Cb 1.97 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.58 1qx5 h ASN 111 CO -0.01 0.26 -0.20 0.25 -0.37 0.00 0.00 177.43 177.36 1qx5 h LEU 112 N -0.82 1.01 -0.78 0.34 5.85 -1.34 -2.95 115.31 116.63 1qx5 h LEU 112 Ca -0.01 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.41 1qx5 h LEU 112 Cb 0.11 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1qx5 h LEU 112 CO 0.02 1.18 0.42 1.23 -0.34 0.00 0.00 178.44 180.96 1qx5 h GLY 113 N 0.84 1.19 2.00 3.75 0.00 -1.18 -0.92 103.07 108.76 1qx5 h GLY 113 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1qx5 h GLY 113 CO 0.07 0.10 -0.20 -2.09 0.00 0.00 0.00 176.54 174.42 1qx5 h GLU 114 N 0.71 0.00 -0.12 4.80 4.57 -1.39 -1.69 114.58 121.47 1qx5 h GLU 114 Ca 0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1qx5 h GLU 114 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1qx5 h GLU 114 CO -0.25 0.20 0.00 1.63 -1.18 0.00 0.00 179.01 179.41 1qx5 n LYS 115 N -3.71 1.63 -3.86 1.92 5.02 -0.38 -4.86 118.16 113.93 1qx5 n LYS 115 Ca -0.01 -0.94 -0.12 0.00 -2.02 0.00 0.00 58.31 55.22 1qx5 n LYS 115 Cb 0.32 -1.40 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 1qx5 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qx5 s LEU 116 N -1.66 1.58 0.13 -0.35 1.43 -0.63 -5.09 118.68 114.08 1qx5 s LEU 116 Ca 0.33 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1qx5 s LEU 116 Cb 0.18 0.50 -0.04 0.00 0.03 0.00 0.00 46.19 46.86 1qx5 s LEU 116 CO 0.27 -0.18 0.22 0.42 0.23 0.00 0.00 176.35 177.31 1qx5 s THR 117 N -0.57 5.08 -0.57 5.49 -4.23 -1.26 -4.81 115.64 114.76 1qx5 s THR 117 Ca -0.07 -0.72 0.17 0.00 -1.18 0.00 0.00 61.69 59.89 1qx5 s THR 117 Cb -0.04 -3.57 0.17 0.00 1.34 0.00 0.00 72.50 70.39 1qx5 s THR 117 CO 0.01 -0.03 1.51 -0.90 -0.54 0.00 0.00 174.62 174.66 1qx5 n ASP 118 N -0.26 0.39 -0.02 3.99 5.68 -1.26 -1.22 116.55 123.85 1qx5 n ASP 118 Ca -0.07 0.64 -0.16 0.00 -0.50 0.00 0.00 54.79 54.70 1qx5 n ASP 118 Cb 0.53 -0.70 -0.12 0.00 -1.14 0.00 0.00 41.12 39.68 1qx5 n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1qx5 h GLU 119 N 0.00 0.16 -0.42 0.11 4.57 -2.00 -2.87 114.58 114.14 1qx5 h GLU 119 Ca 0.00 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1qx5 h GLU 119 Cb 0.15 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1qx5 h GLU 119 CO 0.00 1.01 0.21 0.93 -1.18 0.00 0.00 179.01 179.98 1qx5 h GLU 120 N -0.58 0.58 -0.72 1.92 5.08 -1.56 0.31 114.58 119.62 1qx5 h GLU 120 Ca -0.05 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1qx5 h GLU 120 Cb 1.15 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 1qx5 h GLU 120 CO 0.06 0.45 0.43 0.28 -1.00 0.00 0.00 179.01 179.23 1qx5 h VAL 121 N 0.59 1.03 -0.70 3.13 2.07 -1.40 0.15 116.25 121.13 1qx5 h VAL 121 Ca 0.15 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1qx5 h VAL 121 Cb 0.05 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1qx5 h VAL 121 CO -0.02 0.15 0.33 0.44 0.02 0.00 0.00 177.57 178.49 1qx5 h ASP 122 N 0.81 0.93 -0.54 0.57 5.19 -0.76 -2.08 116.42 120.54 1qx5 h ASP 122 Ca 0.31 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.47 1qx5 h ASP 122 Cb 0.11 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 1qx5 h ASP 122 CO -0.15 0.80 -0.10 -0.08 -3.12 0.00 0.00 179.24 176.59 1qx5 h GLU 123 N 0.98 1.02 -0.41 3.56 4.22 -0.39 -1.48 114.58 122.09 1qx5 h GLU 123 Ca 0.24 -0.38 -0.05 0.00 0.08 0.00 0.00 59.36 59.26 1qx5 h GLU 123 Cb 0.13 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1qx5 h GLU 123 CO -0.03 1.06 0.05 0.52 -2.18 0.00 0.00 179.01 178.43 1qx5 h MET 124 N 0.90 0.63 -0.25 1.92 2.86 -0.21 -1.90 114.93 118.87 1qx5 h MET 124 Ca 0.14 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1qx5 h MET 124 Cb 0.67 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1qx5 h MET 124 CO 0.05 0.61 -0.38 0.82 1.06 0.00 0.00 176.91 179.07 1qx5 h ILE 125 N 0.60 1.31 -0.23 -1.22 2.04 -1.20 -2.27 117.51 116.54 1qx5 h ILE 125 Ca 0.13 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.44 1qx5 h ILE 125 Cb 0.31 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1qx5 h ILE 125 CO 0.01 0.50 0.07 0.03 0.00 0.00 0.00 178.15 178.75 1qx5 h ARG 126 N 0.43 0.16 -0.00 2.37 3.08 -0.78 -2.64 114.38 117.00 1qx5 h ARG 126 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1qx5 h ARG 126 Cb 0.98 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1qx5 h ARG 126 CO 0.09 0.11 -0.09 -0.85 -1.07 0.00 0.00 179.97 178.16 1qx5 n GLU 127 N -5.06 0.74 -3.03 0.04 0.28 -0.76 -4.88 120.64 107.98 1qx5 n GLU 127 Ca -0.02 -0.24 -0.26 0.00 -0.16 0.00 0.00 57.16 56.49 1qx5 n GLU 127 Cb 0.09 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.46 1qx5 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qx5 s ALA 128 N -2.42 3.56 -0.92 -1.84 0.00 -0.86 -5.02 121.76 114.26 1qx5 s ALA 128 Ca 0.31 -0.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 1qx5 s ALA 128 Cb 0.20 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 21.08 1qx5 s ALA 128 CO 0.46 -0.17 1.21 0.34 0.00 0.00 0.00 175.76 177.59 1qx5 s ASP 129 N -4.06 6.52 -0.24 0.00 2.15 -1.26 -4.97 116.67 114.82 1qx5 s ASP 129 Ca 0.43 -1.70 -0.14 0.00 0.43 0.00 0.00 52.55 51.57 1qx5 s ASP 129 Cb -0.10 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 1qx5 s ASP 129 CO 0.40 -1.26 0.33 -0.63 -0.17 0.00 0.00 175.17 173.84 1qx5 s ILE 130 N 3.60 5.23 0.66 4.11 -1.09 -1.26 -4.52 121.20 127.93 1qx5 s ILE 130 Ca 0.35 0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 59.18 1qx5 s ILE 130 Cb -0.05 -3.66 0.16 0.00 -1.58 0.00 0.00 42.46 37.33 1qx5 s ILE 130 CO -0.07 0.23 0.68 -0.90 -1.23 0.00 0.00 174.94 173.66 1qx5 n ASP 131 N 4.83 -1.03 0.26 3.58 5.68 -0.61 -4.87 116.55 124.39 1qx5 n ASP 131 Ca -0.10 -1.03 0.12 0.00 -0.50 0.00 0.00 54.79 53.28 1qx5 n ASP 131 Cb 0.51 -0.59 0.70 0.00 -1.14 0.00 0.00 41.12 40.61 1qx5 n ASP 131 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1qx5 h GLY 132 N -1.51 0.00 -3.07 6.12 0.00 -1.98 -2.47 103.07 100.17 1qx5 h GLY 132 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1qx5 h GLY 132 CO 0.16 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.92 1qx5 n ASP 133 N -3.72 4.72 0.00 0.19 8.00 -1.26 -3.46 116.55 121.02 1qx5 n ASP 133 Ca -0.02 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.07 1qx5 n ASP 133 Cb 0.23 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1qx5 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qx5 n GLY 134 N 1.20 0.79 3.68 0.44 0.00 -0.93 -4.82 105.19 105.55 1qx5 n GLY 134 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1qx5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qx5 s GLN 135 N -0.35 4.33 0.08 1.61 -1.52 -1.26 -4.73 119.66 117.82 1qx5 s GLN 135 Ca 0.00 1.72 0.04 0.00 -1.95 0.00 0.00 55.36 55.16 1qx5 s GLN 135 Cb 0.00 -3.58 -0.03 0.00 -0.22 0.00 0.00 33.01 29.17 1qx5 s GLN 135 CO 0.00 -0.49 -0.10 0.54 -0.25 0.00 0.00 175.29 174.98 1qx5 s VAL 136 N 2.38 0.88 -0.51 1.09 0.11 -1.26 -1.58 120.40 121.51 1qx5 s VAL 136 Ca 0.57 -1.49 -0.28 0.00 -2.93 0.00 0.00 61.98 57.85 1qx5 s VAL 136 Cb -0.25 -1.18 0.03 0.00 -1.53 0.00 0.00 36.38 33.45 1qx5 s VAL 136 CO 0.22 -0.48 1.14 0.21 -3.33 0.00 0.00 175.10 172.86 1qx5 s ASN 137 N -2.18 6.56 0.57 3.54 3.84 -1.26 -4.94 114.94 121.07 1qx5 s ASN 137 Ca 0.01 0.31 0.26 0.00 0.21 0.00 0.00 52.86 53.65 1qx5 s ASN 137 Cb -0.05 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.72 1qx5 s ASN 137 CO 0.00 -1.32 2.17 0.10 -2.79 0.00 0.00 177.10 175.26 1qx5 h TYR 138 N 9.33 0.00 -0.52 0.43 -0.00 -1.99 -1.12 116.97 123.10 1qx5 h TYR 138 Ca -0.24 0.00 0.15 0.00 -0.00 0.00 0.00 58.73 58.64 1qx5 h TYR 138 Cb 1.06 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.77 1qx5 h TYR 138 CO 0.99 0.00 0.62 0.93 -0.00 0.00 0.00 178.16 180.70 1qx5 h GLU 139 N 0.00 0.00 -0.07 0.10 4.39 -1.99 0.57 114.58 117.58 1qx5 h GLU 139 Ca 0.04 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1qx5 h GLU 139 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1qx5 h GLU 139 CO -0.00 0.00 -0.34 0.93 -1.16 0.00 0.00 179.01 178.44 1qx5 h GLU 140 N 0.00 0.13 0.02 2.33 5.08 -1.61 -0.92 114.58 119.60 1qx5 h GLU 140 Ca 0.25 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.30 1qx5 h GLU 140 Cb 1.48 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.74 1qx5 h GLU 140 CO -0.00 0.46 -1.00 0.74 -1.00 0.00 0.00 179.01 178.21 1qx5 h PHE 141 N 0.11 0.98 -0.92 4.33 0.05 -0.04 -2.28 116.94 119.17 1qx5 h PHE 141 Ca 0.01 -0.54 0.04 0.00 3.82 0.00 0.00 57.97 61.29 1qx5 h PHE 141 Cb 0.66 -0.11 -0.05 0.00 2.00 0.00 0.00 35.95 38.45 1qx5 h PHE 141 CO 0.01 1.38 0.61 0.28 -0.18 0.00 0.00 178.31 180.40 1qx5 h VAL 142 N 0.30 1.16 0.07 -0.55 2.07 -1.25 -0.04 116.25 118.01 1qx5 h VAL 142 Ca -0.13 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1qx5 h VAL 142 Cb 1.67 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1qx5 h VAL 142 CO 0.20 0.21 -0.03 -0.61 0.02 0.00 0.00 177.57 177.36 1qx5 h GLN 143 N 1.16 -0.09 -0.79 1.57 5.75 -1.06 -2.38 115.11 119.28 1qx5 h GLN 143 Ca 0.37 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 1qx5 h GLN 143 Cb 0.01 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 1qx5 h GLN 143 CO -0.11 0.16 0.50 0.52 -2.65 0.00 0.00 178.83 177.25 1qx5 h MET 144 N -0.33 1.05 0.00 1.69 2.86 -0.88 -2.35 114.93 116.97 1qx5 h MET 144 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1qx5 h MET 144 Cb 0.28 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1qx5 h MET 144 CO 0.02 0.71 0.00 -1.33 1.06 0.00 0.00 176.91 177.36 1qx5 n MET 145 N -4.40 0.43 0.00 1.72 2.81 -0.08 -5.11 117.12 112.50 1qx5 n MET 145 Ca 0.09 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1qx5 n MET 145 Cb 0.04 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1qx5 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73