#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 0.90 -1.30 -1.24 -0.06 -1.26 -4.91 117.38 109.52 1qx5 n GLN 3 Ca 0.00 0.35 -0.36 0.00 -2.00 0.00 0.00 57.00 54.98 1qx5 n GLN 3 Cb 0.00 -2.12 0.06 0.00 -4.06 0.00 0.00 30.24 24.12 1qx5 n GLN 3 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1qx5 n LEU 4 N -0.56 0.84 -4.86 1.69 4.77 -1.26 -4.97 117.00 112.65 1qx5 n LEU 4 Ca 0.13 0.62 -0.29 0.00 -0.03 0.00 0.00 56.01 56.44 1qx5 n LEU 4 Cb 0.47 -1.21 0.11 0.00 -2.33 0.00 0.00 43.42 40.46 1qx5 n LEU 4 CO 0.50 -3.10 0.77 0.28 -1.33 0.00 0.00 177.39 174.51 1qx5 s THR 5 N -1.87 2.00 0.00 -5.08 -1.32 -1.26 -4.91 115.64 103.20 1qx5 s THR 5 Ca 0.66 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.38 1qx5 s THR 5 Cb -0.36 -2.91 0.25 0.00 -1.51 0.00 0.00 72.50 67.97 1qx5 s THR 5 CO 0.57 0.00 1.77 -0.08 -2.21 0.00 0.00 174.62 174.67 1qx5 h GLU 6 N -1.26 0.00 -0.13 7.08 4.22 -2.00 -2.64 114.58 119.85 1qx5 h GLU 6 Ca -0.47 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 58.91 1qx5 h GLU 6 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1qx5 h GLU 6 CO 0.63 0.20 -0.14 1.49 -2.18 0.00 0.00 179.01 179.00 1qx5 h GLU 7 N 0.00 0.33 0.64 1.92 4.57 -2.00 -2.74 114.58 117.31 1qx5 h GLU 7 Ca -0.00 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1qx5 h GLU 7 Cb 0.84 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1qx5 h GLU 7 CO 0.03 0.73 -0.31 1.96 -1.18 0.00 0.00 179.01 180.24 1qx5 h GLN 8 N -0.05 -0.83 -0.98 1.92 4.20 -1.90 -1.91 115.11 115.56 1qx5 h GLN 8 Ca 0.02 0.06 0.28 0.00 0.06 0.00 0.00 58.65 59.06 1qx5 h GLN 8 Cb 0.67 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 28.50 1qx5 h GLN 8 CO 0.03 -0.55 0.53 0.82 -0.67 0.00 0.00 178.83 178.99 1qx5 h ILE 9 N -0.90 0.40 -0.16 2.54 2.04 -1.59 0.95 117.51 120.79 1qx5 h ILE 9 Ca -0.09 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1qx5 h ILE 9 Cb 0.66 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1qx5 h ILE 9 CO 0.14 0.07 0.07 0.00 0.00 0.00 0.00 178.15 178.44 1qx5 h ALA 10 N 1.79 0.20 -0.12 1.87 0.00 -1.35 0.63 119.26 122.28 1qx5 h ALA 10 Ca 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1qx5 h ALA 10 Cb 1.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1qx5 h ALA 10 CO -0.56 -0.22 0.01 0.93 0.00 0.00 0.00 179.25 179.41 1qx5 h GLU 11 N 0.11 0.20 -0.94 0.00 5.08 0.74 0.16 114.58 119.92 1qx5 h GLU 11 Ca 0.05 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1qx5 h GLU 11 Cb 0.15 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1qx5 h GLU 11 CO -0.01 0.44 0.59 0.74 -1.00 0.00 0.00 179.01 179.77 1qx5 h PHE 12 N -0.05 1.09 -0.04 4.33 0.04 0.69 0.14 116.94 123.14 1qx5 h PHE 12 Ca 0.03 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1qx5 h PHE 12 Cb 0.34 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1qx5 h PHE 12 CO 0.03 0.53 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.97 1qx5 h LYS 13 N 1.05 0.12 -0.57 1.51 3.11 -0.61 -1.67 116.57 119.50 1qx5 h LYS 13 Ca 0.42 -0.08 0.07 0.00 -2.81 0.00 0.00 60.65 58.26 1qx5 h LYS 13 Cb 0.24 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.42 1qx5 h LYS 13 CO -0.20 0.66 0.25 1.49 -2.81 0.00 0.00 179.45 178.84 1qx5 h GLU 14 N -0.41 0.45 -0.04 1.90 4.22 -0.19 -0.07 114.58 120.45 1qx5 h GLU 14 Ca 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1qx5 h GLU 14 Cb 0.66 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qx5 h GLU 14 CO 0.02 0.30 0.02 0.00 -2.18 0.00 0.00 179.01 177.17 1qx5 h ALA 15 N 1.35 0.05 0.11 2.92 0.00 -0.71 -0.06 119.26 122.93 1qx5 h ALA 15 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1qx5 h ALA 15 Cb 0.27 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1qx5 h ALA 15 CO -0.24 -0.42 -0.42 0.35 0.00 0.00 0.00 179.25 178.51 1qx5 h PHE 16 N 0.01 -1.20 -0.13 0.00 3.57 -0.92 -2.14 116.94 116.13 1qx5 h PHE 16 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1qx5 h PHE 16 Cb 0.05 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1qx5 h PHE 16 CO -0.06 -0.52 -0.04 1.03 -2.23 0.00 0.00 178.31 176.49 1qx5 h SER 17 N -0.65 0.17 -0.15 0.41 0.87 -0.96 -2.47 113.55 110.78 1qx5 h SER 17 Ca 0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1qx5 h SER 17 Cb 0.68 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1qx5 h SER 17 CO -0.25 0.25 0.04 0.25 -0.53 0.00 0.00 176.83 176.58 1qx5 h LEU 18 N 0.19 0.23 -3.24 2.23 6.46 -0.54 -2.84 115.31 117.80 1qx5 h LEU 18 Ca 0.04 -0.23 -0.30 0.00 -0.12 0.00 0.00 57.88 57.27 1qx5 h LEU 18 Cb 0.20 -0.06 -0.16 0.00 -0.73 0.00 0.00 40.66 39.91 1qx5 h LEU 18 CO 0.01 0.40 0.39 0.49 -0.62 0.00 0.00 178.44 179.10 1qx5 n PHE 19 N -4.82 1.62 -3.19 1.25 3.01 -0.85 -4.35 117.46 110.13 1qx5 n PHE 19 Ca -0.05 -1.57 -0.27 0.00 1.01 0.00 0.00 57.45 56.57 1qx5 n PHE 19 Cb 0.16 -0.78 -0.06 0.00 -0.01 0.00 0.00 39.48 38.79 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 -0.09 4.16 -0.37 4.37 4.64 -1.07 -4.95 116.55 123.24 1qx5 n ASP 20 Ca 0.32 -3.56 0.00 0.00 -1.38 0.00 0.00 54.79 50.17 1qx5 n ASP 20 Cb 0.88 -0.63 0.06 0.00 -1.04 0.00 0.00 41.12 40.39 1qx5 n ASP 20 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1qx5 n LYS 21 N 0.34 -0.20 -0.04 -0.67 5.02 -1.26 -0.27 118.16 121.07 1qx5 n LYS 21 Ca 0.31 1.49 -0.09 0.00 -2.02 0.00 0.00 58.31 58.00 1qx5 n LYS 21 Cb 0.40 -2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 1qx5 n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1qx5 h ASP 22 N 0.00 -0.86 -0.73 4.39 3.32 -1.92 -3.47 116.42 117.15 1qx5 h ASP 22 Ca 0.36 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1qx5 h ASP 22 Cb 0.60 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1qx5 h ASP 22 CO -0.97 -0.30 0.00 0.61 -1.72 0.00 0.00 179.24 176.86 1qx5 n GLY 23 N -1.39 0.89 0.00 2.75 0.00 0.63 -4.99 105.19 103.08 1qx5 n GLY 23 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.70 0.23 0.00 1.61 5.75 -1.26 -5.00 116.55 118.57 1qx5 n ASP 24 Ca 0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 1qx5 n ASP 24 Cb 0.32 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 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 0.81 1.13 2.91 6.12 0.00 -1.26 -5.05 105.19 109.84 1qx5 n GLY 25 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1qx5 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qx5 s THR 26 N -2.00 0.54 0.10 2.61 2.01 -1.26 -3.41 115.64 114.22 1qx5 s THR 26 Ca 0.00 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.90 1qx5 s THR 26 Cb 0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1qx5 s THR 26 CO 0.00 0.21 -0.14 0.27 -0.69 0.00 0.00 174.62 174.27 1qx5 s ILE 27 N 0.73 1.23 0.72 1.82 -4.36 -0.18 -4.87 121.20 116.29 1qx5 s ILE 27 Ca -0.10 -1.55 -0.08 0.00 -0.26 0.00 0.00 60.65 58.66 1qx5 s ILE 27 Cb -0.13 -1.35 0.06 0.00 1.25 0.00 0.00 42.46 42.30 1qx5 s ILE 27 CO 0.00 -0.34 1.05 0.42 0.24 0.00 0.00 174.94 176.32 1qx5 s THR 28 N -1.80 2.35 0.42 8.37 -4.23 -1.26 -0.55 115.64 118.93 1qx5 s THR 28 Ca 0.04 -0.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.49 1qx5 s THR 28 Cb -0.07 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 70.99 1qx5 s THR 28 CO 0.03 -0.06 2.06 0.74 -0.54 0.00 0.00 174.62 176.84 1qx5 h THR 29 N -0.70 1.09 -0.31 3.99 2.02 -1.81 0.82 112.91 118.02 1qx5 h THR 29 Ca -0.45 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1qx5 h THR 29 Cb 1.31 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1qx5 h THR 29 CO 0.62 0.10 -0.15 0.11 0.37 0.00 0.00 175.52 176.57 1qx5 h LYS 30 N 0.52 0.65 -0.38 6.66 1.79 -1.88 -2.84 116.57 121.09 1qx5 h LYS 30 Ca 0.15 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.24 1qx5 h LYS 30 Cb -0.04 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1qx5 h LYS 30 CO -0.03 0.87 -0.15 0.93 -1.08 0.00 0.00 179.45 179.99 1qx5 h GLU 31 N 0.41 0.69 -0.27 3.15 5.08 -1.53 -1.66 114.58 120.46 1qx5 h GLU 31 Ca 0.07 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1qx5 h GLU 31 Cb 0.68 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1qx5 h GLU 31 CO 0.05 0.81 -0.11 1.25 -1.00 0.00 0.00 179.01 180.01 1qx5 h LEU 32 N 0.62 -0.37 -0.51 1.33 5.85 -0.79 0.16 115.31 121.61 1qx5 h LEU 32 Ca 0.10 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1qx5 h LEU 32 Cb 0.61 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1qx5 h LEU 32 CO 0.04 -0.14 0.28 1.23 -0.34 0.00 0.00 178.44 179.51 1qx5 h GLY 33 N -0.06 0.72 0.92 3.75 0.00 -1.26 0.02 103.07 107.16 1qx5 h GLY 33 Ca 0.14 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1qx5 h GLY 33 CO -0.31 0.15 0.35 -0.84 0.00 0.00 0.00 176.54 175.89 1qx5 h THR 34 N 0.55 1.09 -0.34 4.70 2.02 -0.22 0.85 112.91 121.57 1qx5 h THR 34 Ca 0.22 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1qx5 h THR 34 Cb 0.09 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1qx5 h THR 34 CO -0.13 0.13 -0.03 1.62 0.37 0.00 0.00 175.52 177.47 1qx5 h VAL 35 N 0.71 1.27 -0.44 3.16 3.04 -0.53 -0.32 116.25 123.15 1qx5 h VAL 35 Ca 0.22 -1.04 -0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1qx5 h VAL 35 Cb -0.02 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 1qx5 h VAL 35 CO -0.08 0.34 0.25 0.24 -1.01 0.00 0.00 177.57 177.32 1qx5 h MET 36 N 0.41 0.60 -0.08 4.17 2.86 -0.78 -1.78 114.93 120.32 1qx5 h MET 36 Ca 0.09 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1qx5 h MET 36 Cb 0.51 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1qx5 h MET 36 CO 0.02 0.45 -0.08 0.00 1.06 0.00 0.00 176.91 178.37 1qx5 h ARG 37 N 0.57 0.11 0.00 1.72 3.08 -0.51 0.14 114.38 119.50 1qx5 h ARG 37 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1qx5 h ARG 37 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1qx5 h ARG 37 CO -0.03 0.20 0.00 -1.13 -1.07 0.00 0.00 179.97 177.94 1qx5 n SER 38 N -4.38 0.00 -1.17 7.04 3.41 -0.16 -2.20 113.62 116.16 1qx5 n SER 38 Ca -0.02 0.31 0.11 0.00 -0.26 0.00 0.00 58.87 59.02 1qx5 n SER 38 Cb 0.19 -0.40 0.23 0.00 -0.26 0.00 0.00 64.21 63.97 1qx5 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qx5 n LEU 39 N -1.40 3.54 0.00 1.04 4.32 0.47 -4.93 117.00 120.04 1qx5 n LEU 39 Ca 0.05 -1.63 0.00 0.00 -0.02 0.00 0.00 56.01 54.41 1qx5 n LEU 39 Cb 0.14 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1qx5 n LEU 39 CO 0.12 0.80 0.00 0.61 -1.22 0.00 0.00 177.39 177.70 1qx5 n GLY 40 N 1.48 0.74 4.02 -0.72 0.00 -0.94 -5.00 105.19 104.77 1qx5 n GLY 40 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.47 2.61 -0.51 1.61 -0.21 -1.04 -4.15 119.66 117.51 1qx5 s GLN 41 Ca 0.00 -1.41 0.07 0.00 0.02 0.00 0.00 55.36 54.04 1qx5 s GLN 41 Cb 0.00 -2.70 0.20 0.00 1.00 0.00 0.00 33.01 31.51 1qx5 s GLN 41 CO 0.00 -0.50 0.75 -1.71 -2.12 0.00 0.00 175.29 171.70 1qx5 n ASN 42 N -2.00 -3.18 -4.80 5.90 2.85 -1.26 -3.94 115.26 108.84 1qx5 n ASN 42 Ca 0.11 -2.98 -0.35 0.00 -0.11 0.00 0.00 54.58 51.25 1qx5 n ASN 42 Cb 0.60 1.65 -0.05 0.00 1.24 0.00 0.00 39.78 43.22 1qx5 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1qx5 s PRO 43 N 0.77 4.18 0.34 1.20 0.04 -1.26 -5.04 135.00 135.24 1qx5 s PRO 43 Ca 0.31 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1qx5 s PRO 43 Cb 0.05 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1qx5 s PRO 43 CO -0.10 -0.09 0.95 0.95 0.04 0.00 0.00 177.00 178.75 1qx5 s THR 44 N -1.90 4.22 0.34 1.26 -4.23 -1.26 -4.84 115.64 109.23 1qx5 s THR 44 Ca 0.60 1.76 0.13 0.00 -1.18 0.00 0.00 61.69 63.00 1qx5 s THR 44 Cb -0.16 -3.94 0.35 0.00 1.34 0.00 0.00 72.50 70.09 1qx5 s THR 44 CO 0.20 0.07 1.61 1.05 -0.54 0.00 0.00 174.62 177.02 1qx5 h GLU 45 N 2.98 0.12 -0.65 3.99 9.09 -1.99 0.28 114.58 128.40 1qx5 h GLU 45 Ca -0.47 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 58.89 1qx5 h GLU 45 Cb 1.19 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.24 1qx5 h GLU 45 CO 0.64 0.08 0.26 0.00 0.05 0.00 0.00 179.01 180.04 1qx5 h ALA 46 N 1.92 0.85 0.10 1.06 0.00 -2.00 -2.24 119.26 118.96 1qx5 h ALA 46 Ca 0.72 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 1qx5 h ALA 46 Cb 1.72 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1qx5 h ALA 46 CO -0.74 0.47 -0.05 1.49 0.00 0.00 0.00 179.25 180.42 1qx5 h GLU 47 N 0.92 -0.13 -0.61 0.00 4.81 -1.15 -0.54 114.58 117.88 1qx5 h GLU 47 Ca 0.22 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 1qx5 h GLU 47 Cb 0.21 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.51 1qx5 h GLU 47 CO -0.02 0.10 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.87 1qx5 h LEU 48 N -0.34 -1.46 -1.04 1.64 4.07 -0.44 -0.42 115.31 117.33 1qx5 h LEU 48 Ca -0.01 0.25 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 1qx5 h LEU 48 Cb 0.28 0.67 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 1qx5 h LEU 48 CO 0.02 -0.33 0.24 1.56 -1.08 0.00 0.00 178.44 178.85 1qx5 h GLN 49 N -0.20 0.93 -0.13 1.13 4.20 -1.26 0.20 115.11 119.96 1qx5 h GLN 49 Ca 0.19 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1qx5 h GLN 49 Cb 0.56 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1qx5 h GLN 49 CO -0.71 0.77 -0.20 -0.44 -0.67 0.00 0.00 178.83 177.58 1qx5 h ASP 50 N 0.91 -0.62 1.49 1.46 3.32 0.53 -0.67 116.42 122.85 1qx5 h ASP 50 Ca 0.21 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1qx5 h ASP 50 Cb 0.20 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1qx5 h ASP 50 CO -0.02 -0.25 0.00 0.00 -1.72 0.00 0.00 179.24 177.25 1qx5 h MET 51 N -0.25 0.00 0.05 3.56 -0.00 -0.96 -1.42 114.93 115.91 1qx5 h MET 51 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1qx5 h MET 51 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 1qx5 h MET 51 CO -0.28 0.00 -0.02 0.82 -0.00 0.00 0.00 176.91 177.43 1qx5 h ILE 52 N 0.00 1.31 0.00 -0.10 1.08 0.50 -3.08 117.51 117.22 1qx5 h ILE 52 Ca 0.00 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1qx5 h ILE 52 Cb 0.75 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 1qx5 h ILE 52 CO 0.00 0.31 0.00 0.59 -0.69 0.00 0.00 178.15 178.36 1qx5 n ASN 53 N -4.85 0.26 0.26 1.72 5.03 -0.37 -2.95 115.26 114.36 1qx5 n ASN 53 Ca -0.09 0.53 0.15 0.00 0.87 0.00 0.00 54.58 56.04 1qx5 n ASN 53 Cb 0.28 -0.60 0.62 0.00 -1.02 0.00 0.00 39.78 39.06 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 -0.95 3.52 4.57 -1.17 -3.33 114.58 117.22 1qx5 h GLU 54 Ca 0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 1qx5 h GLU 54 Cb 0.54 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 28.83 1qx5 h GLU 54 CO 0.00 0.08 -0.88 0.28 -1.18 0.00 0.00 179.01 177.31 1qx5 n VAL 55 N -3.23 0.20 -2.92 0.32 0.31 -1.17 -5.01 118.33 106.83 1qx5 n VAL 55 Ca 0.00 -2.97 -0.02 0.00 -0.01 0.00 0.00 64.34 61.34 1qx5 n VAL 55 Cb 0.34 0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 1qx5 n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1qx5 s ASP 56 N -2.14 -1.33 0.13 4.52 3.68 -1.15 -4.91 116.67 115.46 1qx5 s ASP 56 Ca 0.30 -1.20 -0.19 0.00 2.13 0.00 0.00 52.55 53.58 1qx5 s ASP 56 Cb 0.37 1.73 -0.04 0.00 -1.45 0.00 0.00 42.92 43.53 1qx5 s ASP 56 CO -0.04 -0.09 1.75 0.00 0.13 0.00 0.00 175.17 176.91 1qx5 h ALA 57 N 5.69 0.23 -0.41 3.66 0.00 -1.89 -2.09 119.26 124.45 1qx5 h ALA 57 Ca 0.05 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1qx5 h ALA 57 Cb 1.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1qx5 h ALA 57 CO 0.03 -0.35 0.30 -0.44 0.00 0.00 0.00 179.25 178.79 1qx5 h ASP 58 N 0.17 0.00 0.00 0.00 3.45 -1.97 -3.44 116.42 114.63 1qx5 h ASP 58 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1qx5 h ASP 58 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1qx5 h ASP 58 CO -0.09 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.19 1qx5 n GLY 59 N -1.61 0.01 0.00 2.75 0.00 -0.79 -4.74 105.19 100.82 1qx5 n GLY 59 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1qx5 n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qx5 n ASN 60 N -0.82 0.00 -0.06 1.61 5.15 -1.26 -4.74 115.26 115.15 1qx5 n ASN 60 Ca 0.00 0.21 -0.01 0.00 -0.60 0.00 0.00 54.58 54.19 1qx5 n ASN 60 Cb 0.41 -0.21 -0.00 0.00 -0.53 0.00 0.00 39.78 39.44 1qx5 n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qx5 n GLY 61 N -1.18 0.47 3.59 8.20 0.00 -1.26 -5.04 105.19 109.98 1qx5 n GLY 61 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 1qx5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qx5 s THR 62 N -2.00 2.33 -0.07 2.61 -4.23 -1.26 -2.19 115.64 110.82 1qx5 s THR 62 Ca 0.00 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.31 1qx5 s THR 62 Cb 0.00 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.11 1qx5 s THR 62 CO 0.00 -0.17 0.27 -0.63 -0.54 0.00 0.00 174.62 173.55 1qx5 s ILE 63 N -2.59 0.02 0.35 2.99 -1.09 0.28 -4.92 121.20 116.24 1qx5 s ILE 63 Ca 0.34 -0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.64 1qx5 s ILE 63 Cb 0.03 -0.45 -0.04 0.00 -1.58 0.00 0.00 42.46 40.42 1qx5 s ILE 63 CO 0.18 -0.11 0.20 1.51 -1.23 0.00 0.00 174.94 175.49 1qx5 s ASP 64 N -0.40 4.84 0.18 3.58 1.47 -1.26 -1.02 116.67 124.07 1qx5 s ASP 64 Ca -0.05 -0.73 -0.16 0.00 1.18 0.00 0.00 52.55 52.79 1qx5 s ASP 64 Cb -0.03 -0.75 0.14 0.00 -0.34 0.00 0.00 42.92 41.93 1qx5 s ASP 64 CO 0.01 -0.36 1.65 0.15 0.68 0.00 0.00 175.17 177.30 1qx5 h PHE 65 N 1.42 -0.26 -0.29 2.11 3.57 -1.97 0.04 116.94 121.55 1qx5 h PHE 65 Ca -0.44 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.17 1qx5 h PHE 65 Cb 1.25 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 40.11 1qx5 h PHE 65 CO 0.59 -0.21 -0.27 -1.35 -2.23 0.00 0.00 178.31 174.85 1qx5 h PRO 66 N -0.01 -0.24 -0.09 6.41 0.11 -1.97 0.75 132.00 136.97 1qx5 h PRO 66 Ca 0.23 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1qx5 h PRO 66 Cb 0.35 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1qx5 h PRO 66 CO -0.49 -0.16 0.05 0.93 -0.21 0.00 0.00 178.00 178.12 1qx5 h GLU 67 N -0.25 0.12 -0.66 1.05 5.08 -1.81 -1.45 114.58 116.66 1qx5 h GLU 67 Ca 0.15 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1qx5 h GLU 67 Cb 0.49 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1qx5 h GLU 67 CO -0.43 0.14 0.30 0.35 -1.00 0.00 0.00 179.01 178.37 1qx5 h PHE 68 N 0.07 0.53 -0.63 4.33 3.04 0.01 -1.15 116.94 123.12 1qx5 h PHE 68 Ca 0.03 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 1qx5 h PHE 68 Cb 0.06 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 1qx5 h PHE 68 CO -0.05 0.18 0.13 1.25 -2.02 0.00 0.00 178.31 177.79 1qx5 h LEU 69 N 0.52 0.96 -0.39 0.59 6.46 0.63 0.61 115.31 124.68 1qx5 h LEU 69 Ca 0.33 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1qx5 h LEU 69 Cb 0.36 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1qx5 h LEU 69 CO -0.28 0.95 0.18 0.74 -0.62 0.00 0.00 178.44 179.41 1qx5 h THR 70 N 0.96 1.18 0.17 1.05 2.02 -0.79 -1.13 112.91 116.37 1qx5 h THR 70 Ca 0.20 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1qx5 h THR 70 Cb 0.38 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1qx5 h THR 70 CO 0.01 0.19 -0.12 0.24 0.37 0.00 0.00 175.52 176.20 1qx5 h MET 71 N 0.50 -0.28 -0.95 6.66 2.86 -0.74 -2.31 114.93 120.66 1qx5 h MET 71 Ca 0.13 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.93 1qx5 h MET 71 Cb 0.13 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 31.77 1qx5 h MET 71 CO -0.02 -0.19 0.57 0.52 1.06 0.00 0.00 176.91 178.85 1qx5 h MET 72 N -0.30 0.82 -0.51 1.72 2.07 -0.73 -2.45 114.93 115.55 1qx5 h MET 72 Ca -0.01 -0.05 0.08 0.00 -2.07 0.00 0.00 59.70 57.65 1qx5 h MET 72 Cb 0.26 -0.19 -0.07 0.00 -1.87 0.00 0.00 31.60 29.74 1qx5 h MET 72 CO 0.00 0.54 0.14 0.00 1.07 0.00 0.00 176.91 178.67 1qx5 h ALA 73 N 1.55 0.61 0.00 6.32 0.00 -0.63 -0.44 119.26 126.67 1qx5 h ALA 73 Ca 0.50 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.39 1qx5 h ALA 73 Cb 0.59 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1qx5 h ALA 73 CO -0.31 -0.27 -0.49 0.07 0.00 0.00 0.00 179.25 178.26 1qx5 h ARG 74 N 0.29 0.00 0.05 0.00 0.11 -1.32 -3.28 114.38 110.24 1qx5 h ARG 74 Ca 0.26 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.33 1qx5 h ARG 74 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1qx5 h ARG 74 CO -0.30 0.49 -0.02 0.87 0.10 0.00 0.00 179.97 181.11 1qx5 h LYS 75 N 0.00 -0.07 0.00 0.08 1.79 -0.83 -3.20 116.57 114.34 1qx5 h LYS 75 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qx5 h LYS 75 Cb 0.88 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1qx5 h LYS 75 CO 0.06 0.36 0.22 0.52 -1.08 0.00 0.00 179.45 179.53 1qx5 h MET 76 N -0.51 0.00 0.00 3.15 2.86 -1.19 -1.29 114.93 117.94 1qx5 h MET 76 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1qx5 h MET 76 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1qx5 h MET 76 CO 0.01 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.61 1qx5 n LYS 77 N -2.41 0.13 0.04 1.72 5.02 -1.21 -3.72 118.16 117.73 1qx5 n LYS 77 Ca -0.01 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1qx5 n LYS 77 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.35 0.87 -4.62 4.39 2.03 -0.50 -5.06 116.55 112.32 1qx5 n ASP 78 Ca 0.05 0.12 -0.59 0.00 0.52 0.00 0.00 54.79 54.89 1qx5 n ASP 78 Cb 0.12 -0.26 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 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 -3.40 0.05 -4.74 5.18 -1.04 -1.15 -4.98 114.28 104.20 1qx5 n THR 79 Ca 0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1qx5 n THR 79 Cb 0.09 -0.54 -0.07 0.00 -1.82 0.00 0.00 70.33 67.99 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 1.43 3.95 0.37 8.00 1.47 -1.26 -4.87 116.67 125.75 1qx5 s ASP 80 Ca 0.94 -1.70 0.13 0.00 1.18 0.00 0.00 52.55 53.09 1qx5 s ASP 80 Cb -1.21 0.65 0.72 0.00 -0.34 0.00 0.00 42.92 42.74 1qx5 s ASP 80 CO 0.62 -0.93 1.83 0.77 0.68 0.00 0.00 175.17 178.14 1qx5 h SER 81 N 1.36 0.00 -0.22 2.11 4.64 -2.01 -3.20 113.55 116.24 1qx5 h SER 81 Ca -0.42 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1qx5 h SER 81 Cb 1.32 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1qx5 h SER 81 CO 0.70 0.37 0.05 -0.08 -0.87 0.00 0.00 176.83 177.01 1qx5 h GLU 82 N 0.00 0.35 -0.86 4.77 4.81 -1.99 -2.31 114.58 119.35 1qx5 h GLU 82 Ca -0.00 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1qx5 h GLU 82 Cb 0.66 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 1qx5 h GLU 82 CO 0.05 0.47 0.57 1.49 -0.73 0.00 0.00 179.01 180.85 1qx5 h GLU 83 N 0.18 0.99 -0.12 1.92 4.81 -1.94 0.70 114.58 121.12 1qx5 h GLU 83 Ca 0.07 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1qx5 h GLU 83 Cb 0.27 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1qx5 h GLU 83 CO 0.00 0.66 -0.34 0.93 -0.73 0.00 0.00 179.01 179.52 1qx5 h GLU 84 N 1.02 0.24 0.21 1.92 5.08 -1.54 -1.97 114.58 119.54 1qx5 h GLU 84 Ca 0.36 -0.10 -0.32 0.00 -1.00 0.00 0.00 59.36 58.29 1qx5 h GLU 84 Cb 0.12 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 29.39 1qx5 h GLU 84 CO -0.12 0.56 -1.40 0.82 -1.00 0.00 0.00 179.01 177.88 1qx5 h ILE 85 N 0.21 1.28 0.00 3.13 2.04 -0.73 -2.72 117.51 120.72 1qx5 h ILE 85 Ca 0.03 -2.61 -0.02 0.00 1.00 0.00 0.00 64.86 63.26 1qx5 h ILE 85 Cb 0.71 2.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1qx5 h ILE 85 CO 0.05 0.79 -0.11 -0.09 0.00 0.00 0.00 178.15 178.79 1qx5 h ARG 86 N 0.20 0.00 0.00 2.37 2.43 -0.85 -2.23 114.38 116.30 1qx5 h ARG 86 Ca -0.23 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.84 1qx5 h ARG 86 Cb 2.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.61 1qx5 h ARG 86 CO 0.26 0.11 -0.56 0.93 -1.51 0.00 0.00 179.97 179.20 1qx5 h GLU 87 N 0.00 0.00 -0.06 0.20 4.39 -1.20 -1.78 114.58 116.13 1qx5 h GLU 87 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1qx5 h GLU 87 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1qx5 h GLU 87 CO 0.01 0.44 -0.84 0.00 -1.16 0.00 0.00 179.01 177.46 1qx5 h ALA 88 N 1.54 0.42 -0.07 3.43 0.00 -1.10 -3.01 119.26 120.48 1qx5 h ALA 88 Ca -0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.03 1qx5 h ALA 88 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1qx5 h ALA 88 CO 0.06 0.76 -0.81 0.74 0.00 0.00 0.00 179.25 179.99 1qx5 h PHE 89 N 0.32 0.71 -0.76 0.00 0.04 -1.47 -3.05 116.94 112.73 1qx5 h PHE 89 Ca -0.06 -0.34 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 1qx5 h PHE 89 Cb 1.45 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.46 1qx5 h PHE 89 CO 0.06 1.13 0.46 0.00 -0.60 0.00 0.00 178.31 179.37 1qx5 h ARG 90 N 0.33 1.02 -0.71 1.51 2.47 -1.30 -1.28 114.38 116.42 1qx5 h ARG 90 Ca -0.05 -0.08 0.21 0.00 -1.26 0.00 0.00 59.98 58.79 1qx5 h ARG 90 Cb 1.42 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.49 1qx5 h ARG 90 CO 0.15 0.71 0.76 0.28 0.56 0.00 0.00 179.97 182.43 1qx5 h VAL 91 N 1.04 0.23 -0.00 2.04 2.07 -1.40 0.64 116.25 120.87 1qx5 h VAL 91 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1qx5 h VAL 91 Cb -0.05 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1qx5 h VAL 91 CO -0.05 0.00 -0.38 0.49 0.02 0.00 0.00 177.57 177.64 1qx5 n PHE 92 N -3.57 0.00 -3.16 1.57 3.01 -0.48 -4.64 117.46 110.18 1qx5 n PHE 92 Ca 0.15 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.15 1qx5 n PHE 92 Cb 1.00 -0.24 -0.02 0.00 -0.01 0.00 0.00 39.48 40.22 1qx5 n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1qx5 s ASP 93 N -2.86 6.80 0.06 4.37 -1.08 0.22 -4.56 116.67 119.63 1qx5 s ASP 93 Ca 0.15 -2.58 -0.31 0.00 -0.52 0.00 0.00 52.55 49.29 1qx5 s ASP 93 Cb 0.18 -2.29 -0.18 0.00 -1.46 0.00 0.00 42.92 39.16 1qx5 s ASP 93 CO 0.63 -0.73 1.57 0.11 0.52 0.00 0.00 175.17 177.27 1qx5 h LYS 94 N 7.99 -0.80 0.00 4.34 6.56 -1.82 -3.26 116.57 129.58 1qx5 h LYS 94 Ca 0.15 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 1qx5 h LYS 94 Cb 1.00 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1qx5 h LYS 94 CO 0.94 -0.51 -0.35 -0.40 -2.06 0.00 0.00 179.45 177.07 1qx5 n ASP 95 N -5.43 0.70 -0.19 0.86 3.85 -1.26 -4.97 116.55 110.11 1qx5 n ASP 95 Ca -0.13 0.29 0.00 0.00 -0.71 0.00 0.00 54.79 54.25 1qx5 n ASP 95 Cb 0.34 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 1qx5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qx5 n GLY 96 N 1.34 0.81 0.77 6.12 0.00 -1.23 -4.95 105.19 108.05 1qx5 n GLY 96 Ca 0.04 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 1.44 2.60 0.00 1.61 0.23 -1.26 -4.95 115.26 114.92 1qx5 n ASN 97 Ca 0.00 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1qx5 n ASN 97 Cb 0.41 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1qx5 n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qx5 n GLY 98 N 1.18 0.47 3.50 4.83 0.00 -1.26 -5.06 105.19 108.85 1qx5 n GLY 98 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.16 2.66 0.31 1.61 1.51 -1.26 -5.11 117.35 114.91 1qx5 s TYR 99 Ca 0.00 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1qx5 s TYR 99 Cb 0.00 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1qx5 s TYR 99 CO 0.00 0.29 0.12 0.96 -1.11 0.00 0.00 175.55 175.81 1qx5 s ILE 100 N -0.94 0.55 -0.39 2.71 -4.36 -1.26 -4.52 121.20 112.98 1qx5 s ILE 100 Ca 0.15 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.33 1qx5 s ILE 100 Cb -0.11 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.06 1qx5 s ILE 100 CO 0.06 0.00 0.71 -0.55 0.24 0.00 0.00 174.94 175.40 1qx5 s SER 101 N -3.41 6.44 0.32 4.36 0.15 -1.26 -4.92 113.70 115.36 1qx5 s SER 101 Ca 0.34 0.05 0.09 0.00 0.70 0.00 0.00 55.95 57.13 1qx5 s SER 101 Cb 0.06 -2.36 0.85 0.00 -1.71 0.00 0.00 66.02 62.86 1qx5 s SER 101 CO 0.16 -0.74 1.75 0.00 1.20 0.00 0.00 173.24 175.61 1qx5 h ALA 102 N 8.66 1.77 -0.01 5.45 0.00 -1.99 -0.43 119.26 132.70 1qx5 h ALA 102 Ca -0.25 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qx5 h ALA 102 Cb 1.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qx5 h ALA 102 CO 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1qx5 h ALA 103 N 1.70 0.02 -0.35 0.00 0.00 -1.99 -0.26 119.26 118.38 1qx5 h ALA 103 Ca 0.62 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.47 1qx5 h ALA 103 Cb 1.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1qx5 h ALA 103 CO -0.43 -0.36 0.00 0.93 0.00 0.00 0.00 179.25 179.39 1qx5 h GLU 104 N -0.21 0.10 -0.48 0.00 5.08 -1.76 0.29 114.58 117.59 1qx5 h GLU 104 Ca 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1qx5 h GLU 104 Cb 0.25 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1qx5 h GLU 104 CO 0.00 0.07 0.21 1.25 -1.00 0.00 0.00 179.01 179.54 1qx5 h LEU 105 N 0.10 0.28 -0.08 1.33 5.85 -0.82 -1.43 115.31 120.54 1qx5 h LEU 105 Ca 0.17 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1qx5 h LEU 105 Cb 0.23 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1qx5 h LEU 105 CO -0.28 0.19 -0.13 0.03 -0.34 0.00 0.00 178.44 177.92 1qx5 h ARG 106 N 0.42 -0.17 -0.66 1.25 2.47 0.11 -1.18 114.38 116.61 1qx5 h ARG 106 Ca 0.22 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.89 1qx5 h ARG 106 Cb 0.17 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1qx5 h ARG 106 CO -0.18 -0.12 0.17 1.25 0.56 0.00 0.00 179.97 181.65 1qx5 h HIS 107 N -0.18 1.11 0.24 3.04 2.76 -0.27 -1.35 115.15 120.50 1qx5 h HIS 107 Ca 0.07 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1qx5 h HIS 107 Cb 0.29 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1qx5 h HIS 107 CO -0.23 0.91 -0.12 0.28 -1.30 0.00 0.00 177.93 177.48 1qx5 h VAL 108 N 0.99 0.77 0.14 5.26 2.07 -1.08 -2.75 116.25 121.64 1qx5 h VAL 108 Ca 0.21 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1qx5 h VAL 108 Cb 0.36 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1qx5 h VAL 108 CO 0.00 0.16 -0.07 0.24 0.02 0.00 0.00 177.57 177.92 1qx5 h MET 109 N -0.79 -0.18 -0.77 1.57 2.86 -1.27 -0.83 114.93 115.53 1qx5 h MET 109 Ca -0.03 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1qx5 h MET 109 Cb 0.51 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1qx5 h MET 109 CO 0.05 0.12 0.06 0.25 1.06 0.00 0.00 176.91 178.45 1qx5 n THR 110 N -5.04 1.90 0.04 2.22 -2.24 -0.51 -3.25 114.28 107.39 1qx5 n THR 110 Ca -0.09 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1qx5 n THR 110 Cb 0.20 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1qx5 n THR 110 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qx5 n ASN 111 N 0.27 -0.27 0.04 3.42 4.05 -1.06 -4.70 115.26 117.02 1qx5 n ASN 111 Ca 0.21 0.13 -0.20 0.00 0.45 0.00 0.00 54.58 55.16 1qx5 n ASN 111 Cb 0.93 0.40 -0.11 0.00 1.23 0.00 0.00 39.78 42.23 1qx5 n ASN 111 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1qx5 h LEU 112 N 0.00 0.90 -1.83 1.20 7.12 -1.16 -2.80 115.31 118.75 1qx5 h LEU 112 Ca 0.00 -0.75 -0.01 0.00 0.13 0.00 0.00 57.88 57.26 1qx5 h LEU 112 Cb 0.00 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 39.85 1qx5 h LEU 112 CO 0.00 1.53 -0.04 1.23 -0.13 0.00 0.00 178.44 181.03 1qx5 h GLY 113 N 0.37 0.00 0.60 3.75 0.00 -1.14 -2.70 103.07 103.94 1qx5 h GLY 113 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1qx5 h GLY 113 CO 0.21 0.00 -0.19 -2.09 0.00 0.00 0.00 176.54 174.47 1qx5 h GLU 114 N 0.00 0.24 0.00 4.80 4.57 -1.66 -3.20 114.58 119.32 1qx5 h GLU 114 Ca -0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1qx5 h GLU 114 Cb 0.40 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1qx5 h GLU 114 CO 0.01 0.79 0.00 1.63 -1.18 0.00 0.00 179.01 180.26 1qx5 n LYS 115 N -4.56 0.86 -4.57 1.92 5.02 -1.07 -4.83 118.16 110.94 1qx5 n LYS 115 Ca -0.08 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.94 1qx5 n LYS 115 Cb 0.42 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.09 2.23 0.09 -0.35 2.01 -1.04 -5.09 118.68 114.44 1qx5 s LEU 116 Ca 0.43 -0.62 0.02 0.00 0.01 0.00 0.00 54.13 53.96 1qx5 s LEU 116 Cb 0.21 -1.07 -0.04 0.00 0.01 0.00 0.00 46.19 45.29 1qx5 s LEU 116 CO 0.36 0.16 0.16 0.42 1.01 0.00 0.00 176.35 178.46 1qx5 s THR 117 N -0.94 4.94 0.25 5.49 -4.23 -1.26 -4.86 115.64 115.03 1qx5 s THR 117 Ca 0.09 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1qx5 s THR 117 Cb -0.10 -3.42 0.23 0.00 1.34 0.00 0.00 72.50 70.55 1qx5 s THR 117 CO 0.03 0.08 1.75 -0.78 -0.54 0.00 0.00 174.62 175.17 1qx5 h ASP 118 N 3.00 0.44 -0.16 3.99 1.82 -2.00 -1.56 116.42 121.94 1qx5 h ASP 118 Ca -0.46 0.09 -0.22 0.00 -0.39 0.00 0.00 57.03 56.05 1qx5 h ASP 118 Cb 1.17 0.03 0.01 0.00 0.68 0.00 0.00 39.33 41.22 1qx5 h ASP 118 CO 0.70 0.19 -0.75 -0.08 -1.61 0.00 0.00 179.24 177.68 1qx5 h GLU 119 N 0.56 0.81 -0.99 0.28 4.57 -2.01 -3.15 114.58 114.65 1qx5 h GLU 119 Ca 0.43 -0.64 0.23 0.00 -1.18 0.00 0.00 59.36 58.20 1qx5 h GLU 119 Cb 0.61 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.24 1qx5 h GLU 119 CO -0.37 1.25 0.63 1.49 -1.18 0.00 0.00 179.01 180.84 1qx5 h GLU 120 N 0.56 0.49 0.86 1.92 4.81 -1.69 0.33 114.58 121.85 1qx5 h GLU 120 Ca -0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1qx5 h GLU 120 Cb 1.38 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1qx5 h GLU 120 CO 0.16 0.32 -0.46 0.28 -0.73 0.00 0.00 179.01 178.57 1qx5 h VAL 121 N 0.50 0.00 -0.82 0.32 2.07 -1.42 0.50 116.25 117.40 1qx5 h VAL 121 Ca 0.56 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.18 1qx5 h VAL 121 Cb 1.25 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1qx5 h VAL 121 CO -0.29 0.00 0.53 0.44 0.02 0.00 0.00 177.57 178.27 1qx5 h ASP 122 N -1.22 0.69 0.29 0.57 3.45 -1.31 0.12 116.42 119.01 1qx5 h ASP 122 Ca -0.12 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1qx5 h ASP 122 Cb 0.95 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 1qx5 h ASP 122 CO 0.16 0.41 -0.32 -0.08 -1.57 0.00 0.00 179.24 177.84 1qx5 h GLU 123 N 0.77 -0.64 -0.88 3.56 4.81 0.12 0.75 114.58 123.07 1qx5 h GLU 123 Ca 0.38 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1qx5 h GLU 123 Cb 0.44 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1qx5 h GLU 123 CO -0.15 -0.42 0.58 0.52 -0.73 0.00 0.00 179.01 178.80 1qx5 h MET 124 N -0.66 1.11 -0.38 1.92 2.86 0.14 -0.61 114.93 119.32 1qx5 h MET 124 Ca -0.01 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1qx5 h MET 124 Cb 0.61 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1qx5 h MET 124 CO -0.08 0.73 0.16 0.82 1.06 0.00 0.00 176.91 179.61 1qx5 h ILE 125 N 1.14 1.18 0.33 -1.22 2.04 -0.38 0.68 117.51 121.29 1qx5 h ILE 125 Ca 0.34 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1qx5 h ILE 125 Cb -0.05 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1qx5 h ILE 125 CO -0.10 0.20 -0.38 -0.09 0.00 0.00 0.00 178.15 177.79 1qx5 h ARG 126 N 0.47 -0.69 -0.22 2.37 2.43 0.12 -2.97 114.38 115.90 1qx5 h ARG 126 Ca 0.13 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1qx5 h ARG 126 Cb 0.16 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1qx5 h ARG 126 CO -0.01 -0.46 0.03 0.93 -1.51 0.00 0.00 179.97 178.95 1qx5 h GLU 127 N -0.72 0.31 -7.23 0.20 3.07 -1.04 -3.44 114.58 105.72 1qx5 h GLU 127 Ca -0.04 -0.04 -0.48 0.00 -0.50 0.00 0.00 59.36 58.30 1qx5 h GLU 127 Cb 0.63 -0.06 0.19 0.00 -0.84 0.00 0.00 28.75 28.68 1qx5 h GLU 127 CO -0.07 0.31 0.14 0.00 -1.40 0.00 0.00 179.01 177.99 1qx5 s ALA 128 N -5.06 0.69 -0.74 3.43 0.00 0.24 -4.98 121.76 115.34 1qx5 s ALA 128 Ca -0.06 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1qx5 s ALA 128 Cb 0.16 -3.33 0.19 0.00 0.00 0.00 0.00 23.12 20.15 1qx5 s ALA 128 CO 0.72 -3.14 0.67 0.34 0.00 0.00 0.00 175.76 174.35 1qx5 s ASP 129 N -2.73 6.47 0.04 0.00 3.68 -1.26 -4.94 116.67 117.92 1qx5 s ASP 129 Ca 0.67 -2.49 -0.25 0.00 2.13 0.00 0.00 52.55 52.61 1qx5 s ASP 129 Cb -0.23 -2.17 -0.05 0.00 -1.45 0.00 0.00 42.92 39.02 1qx5 s ASP 129 CO 0.61 -0.62 0.75 -0.63 0.13 0.00 0.00 175.17 175.41 1qx5 s ILE 130 N 0.49 4.74 0.89 4.11 -1.09 -1.26 -4.62 121.20 124.46 1qx5 s ILE 130 Ca 0.14 1.60 -0.10 0.00 -2.23 0.00 0.00 60.65 60.06 1qx5 s ILE 130 Cb -0.16 -4.10 0.19 0.00 -1.58 0.00 0.00 42.46 36.81 1qx5 s ILE 130 CO -0.06 0.37 1.21 1.51 -1.23 0.00 0.00 174.94 176.75 1qx5 s ASP 131 N -0.08 3.43 0.46 3.58 -4.77 -0.27 -4.92 116.67 114.09 1qx5 s ASP 131 Ca 0.38 -0.09 0.31 0.00 -3.30 0.00 0.00 52.55 49.85 1qx5 s ASP 131 Cb -0.20 -0.01 1.57 0.00 -1.09 0.00 0.00 42.92 43.19 1qx5 s ASP 131 CO 0.22 -2.50 1.95 1.23 0.70 0.00 0.00 175.17 176.77 1qx5 h GLY 132 N -1.27 0.00 -1.57 2.12 0.00 -1.97 -2.13 103.07 98.25 1qx5 h GLY 132 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1qx5 h GLY 132 CO 0.35 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.11 1qx5 n ASP 133 N -2.65 2.63 0.00 0.19 8.00 -1.26 -4.39 116.55 119.07 1qx5 n ASP 133 Ca -0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1qx5 n ASP 133 Cb 0.13 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 1.32 0.59 3.79 0.44 0.00 -0.80 -4.89 105.19 105.65 1qx5 n GLY 134 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1qx5 n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qx5 s GLN 135 N -0.81 4.49 0.02 1.61 2.00 -1.26 -4.80 119.66 120.91 1qx5 s GLN 135 Ca 0.00 1.18 -0.05 0.00 -2.00 0.00 0.00 55.36 54.49 1qx5 s GLN 135 Cb 0.00 -2.85 -0.01 0.00 0.80 0.00 0.00 33.01 30.95 1qx5 s GLN 135 CO 0.00 0.33 0.08 0.08 -0.50 0.00 0.00 175.29 175.29 1qx5 s VAL 136 N -1.56 0.11 -0.39 1.34 1.01 -1.26 -1.12 120.40 118.53 1qx5 s VAL 136 Ca 0.47 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.30 1qx5 s VAL 136 Cb -0.18 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1qx5 s VAL 136 CO 0.23 -0.51 0.76 0.21 0.00 0.00 0.00 175.10 175.79 1qx5 s ASN 137 N -1.74 6.49 0.59 3.32 2.47 -1.26 -4.89 114.94 119.92 1qx5 s ASN 137 Ca -0.11 0.17 0.39 0.00 0.42 0.00 0.00 52.86 53.74 1qx5 s ASN 137 Cb -0.05 -2.38 2.01 0.00 -1.45 0.00 0.00 41.25 39.38 1qx5 s ASN 137 CO -0.02 -0.77 2.19 0.10 -3.72 0.00 0.00 177.10 174.89 1qx5 h TYR 138 N 8.64 0.00 0.00 0.43 -0.00 -2.00 -1.46 116.97 122.58 1qx5 h TYR 138 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 1qx5 h TYR 138 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.82 1qx5 h TYR 138 CO 0.79 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.88 1qx5 h GLU 139 N 0.00 0.00 0.00 0.10 4.39 -2.00 -0.51 114.58 116.56 1qx5 h GLU 139 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1qx5 h GLU 139 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1qx5 h GLU 139 CO 0.00 0.00 -0.40 0.93 -1.16 0.00 0.00 179.01 178.38 1qx5 h GLU 140 N 0.00 0.00 0.15 2.33 5.08 -1.67 -2.16 114.58 118.31 1qx5 h GLU 140 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1qx5 h GLU 140 Cb 0.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.44 1qx5 h GLU 140 CO 0.00 0.40 -1.09 0.74 -1.00 0.00 0.00 179.01 178.06 1qx5 h PHE 141 N 0.00 0.59 -0.65 4.33 0.05 -1.27 -2.51 116.94 117.47 1qx5 h PHE 141 Ca -0.00 -0.43 -0.05 0.00 3.82 0.00 0.00 57.97 61.30 1qx5 h PHE 141 Cb 1.06 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.96 1qx5 h PHE 141 CO 0.00 1.42 0.20 -0.24 -0.18 0.00 0.00 178.31 179.51 1qx5 h VAL 142 N -0.27 1.24 0.05 -0.55 3.04 -1.38 -0.97 116.25 117.42 1qx5 h VAL 142 Ca -0.21 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.65 1qx5 h VAL 142 Cb 1.76 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1qx5 h VAL 142 CO 0.15 0.32 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.40 1qx5 h GLN 143 N 0.96 -0.06 -0.10 4.17 -0.00 -1.45 -1.61 115.11 117.02 1qx5 h GLN 143 Ca 0.21 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.90 1qx5 h GLN 143 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 1qx5 h GLN 143 CO -0.01 0.04 0.11 0.52 0.00 0.00 0.00 178.83 179.50 1qx5 h MET 144 N -0.15 0.00 0.00 1.69 2.86 -0.96 -1.62 114.93 116.75 1qx5 h MET 144 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1qx5 h MET 144 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1qx5 h MET 144 CO 0.01 0.00 -0.83 -1.33 1.06 0.00 0.00 176.91 175.82 1qx5 n MET 145 N -3.85 0.28 0.00 1.72 2.81 -0.41 -5.09 117.12 112.58 1qx5 n MET 145 Ca -0.00 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1qx5 n MET 145 Cb 0.22 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1qx5 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73