#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 3.79 -2.96 -0.67 3.00 -1.26 -5.05 117.38 114.23 1qx5 n GLN 3 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1qx5 n GLN 3 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 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 4.20 1.17 1.08 1.43 -1.26 -5.04 118.68 120.26 1qx5 s LEU 4 Ca 0.00 1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 1qx5 s LEU 4 Cb 0.00 -3.14 0.27 0.00 0.03 0.00 0.00 46.19 43.35 1qx5 s LEU 4 CO 0.00 -0.31 1.05 0.42 0.23 0.00 0.00 176.35 177.74 1qx5 s THR 5 N 1.79 1.77 0.27 5.49 -4.23 -1.26 -4.73 115.64 114.73 1qx5 s THR 5 Ca 0.37 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1qx5 s THR 5 Cb -0.17 -2.31 0.12 0.00 1.34 0.00 0.00 72.50 71.48 1qx5 s THR 5 CO 0.14 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.66 1qx5 h GLU 6 N -2.54 0.77 -0.18 3.99 4.39 -1.99 -1.88 114.58 117.13 1qx5 h GLU 6 Ca -0.53 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 58.95 1qx5 h GLU 6 Cb 1.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1qx5 h GLU 6 CO 0.45 0.77 0.01 0.93 -1.16 0.00 0.00 179.01 180.01 1qx5 h GLU 7 N 0.72 0.31 0.62 2.33 5.08 -1.98 -1.54 114.58 120.13 1qx5 h GLU 7 Ca 0.14 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1qx5 h GLU 7 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1qx5 h GLU 7 CO 0.02 0.51 -0.36 1.96 -1.00 0.00 0.00 179.01 180.14 1qx5 h GLN 8 N 0.07 -0.87 -0.96 2.33 4.20 -1.88 0.14 115.11 118.14 1qx5 h GLN 8 Ca 0.05 0.06 0.25 0.00 0.06 0.00 0.00 58.65 59.07 1qx5 h GLN 8 Cb 0.37 0.20 -0.18 0.00 0.30 0.00 0.00 27.48 28.17 1qx5 h GLN 8 CO 0.01 -0.58 0.00 0.82 -0.67 0.00 0.00 178.83 178.41 1qx5 h ILE 9 N -0.91 0.06 -0.12 2.54 2.04 -1.36 0.40 117.51 120.15 1qx5 h ILE 9 Ca -0.08 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1qx5 h ILE 9 Cb 0.72 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1qx5 h ILE 9 CO 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.95 1qx5 h ALA 10 N 1.95 1.26 0.88 1.87 0.00 -0.64 0.99 119.26 125.57 1qx5 h ALA 10 Ca 0.57 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1qx5 h ALA 10 Cb 1.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1qx5 h ALA 10 CO -0.90 0.50 -0.42 0.93 0.00 0.00 0.00 179.25 179.36 1qx5 h GLU 11 N 0.21 -1.14 -0.87 0.00 4.39 0.26 -0.71 114.58 116.71 1qx5 h GLU 11 Ca 0.03 0.08 0.15 0.00 0.34 0.00 0.00 59.36 59.96 1qx5 h GLU 11 Cb 0.65 0.26 -0.10 0.00 -0.10 0.00 0.00 28.75 29.47 1qx5 h GLU 11 CO 0.05 -0.76 0.46 0.74 -1.16 0.00 0.00 179.01 178.34 1qx5 h PHE 12 N -1.32 0.81 -0.38 4.33 0.05 -1.04 0.50 116.94 119.89 1qx5 h PHE 12 Ca -0.12 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.65 1qx5 h PHE 12 Cb 0.91 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 38.61 1qx5 h PHE 12 CO 0.00 0.19 0.00 -0.22 -0.18 0.00 0.00 178.31 178.10 1qx5 h LYS 13 N 0.64 0.60 -0.36 1.51 3.11 -0.70 -1.42 116.57 119.96 1qx5 h LYS 13 Ca 0.48 -0.14 -0.14 0.00 -2.81 0.00 0.00 60.65 58.04 1qx5 h LYS 13 Cb 0.68 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1qx5 h LYS 13 CO -0.37 0.63 -0.33 1.49 -2.81 0.00 0.00 179.45 178.07 1qx5 h GLU 14 N 0.58 0.85 -0.22 1.90 4.81 0.63 -1.65 114.58 121.49 1qx5 h GLU 14 Ca 0.12 -0.44 -0.21 0.00 -0.13 0.00 0.00 59.36 58.71 1qx5 h GLU 14 Cb 0.37 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1qx5 h GLU 14 CO 0.01 1.08 -0.67 0.00 -0.73 0.00 0.00 179.01 178.71 1qx5 h ALA 15 N 0.76 0.39 0.26 2.92 0.00 -1.06 -2.02 119.26 120.51 1qx5 h ALA 15 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1qx5 h ALA 15 Cb 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1qx5 h ALA 15 CO 0.08 0.68 -0.12 0.35 0.00 0.00 0.00 179.25 180.24 1qx5 h PHE 16 N 0.60 -0.32 -0.50 0.00 3.57 -1.23 -2.90 116.94 116.17 1qx5 h PHE 16 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1qx5 h PHE 16 Cb 1.29 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1qx5 h PHE 16 CO 0.08 -0.06 0.30 1.03 -2.23 0.00 0.00 178.31 177.43 1qx5 h SER 17 N -0.54 0.58 -0.65 0.41 0.87 -1.35 -2.49 113.55 110.37 1qx5 h SER 17 Ca -0.04 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1qx5 h SER 17 Cb 0.40 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1qx5 h SER 17 CO 0.06 0.44 0.43 0.25 -0.53 0.00 0.00 176.83 177.49 1qx5 h LEU 18 N 0.68 0.75 -3.37 2.23 7.12 -1.19 -2.39 115.31 119.14 1qx5 h LEU 18 Ca 0.18 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.09 1qx5 h LEU 18 Cb -0.04 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 39.86 1qx5 h LEU 18 CO -0.03 0.54 0.03 0.49 -0.13 0.00 0.00 178.44 179.34 1qx5 n PHE 19 N -4.44 1.27 -3.83 1.25 3.72 -0.99 -4.75 117.46 109.70 1qx5 n PHE 19 Ca 0.07 -1.09 -0.31 0.00 -0.05 0.00 0.00 57.45 56.07 1qx5 n PHE 19 Cb 0.04 -0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 38.05 1qx5 n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qx5 s ASP 20 N -1.89 5.03 0.52 4.37 2.15 -0.90 -4.96 116.67 121.00 1qx5 s ASP 20 Ca 0.45 -3.52 0.19 0.00 0.43 0.00 0.00 52.55 50.10 1qx5 s ASP 20 Cb 0.38 -1.73 1.34 0.00 -0.30 0.00 0.00 42.92 42.61 1qx5 s ASP 20 CO 0.08 -0.17 2.14 0.07 -0.17 0.00 0.00 175.17 177.12 1qx5 h LYS 21 N 5.98 0.00 -0.42 4.34 5.09 -1.85 -1.86 116.57 127.85 1qx5 h LYS 21 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.83 1qx5 h LYS 21 Cb 0.82 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.13 1qx5 h LYS 21 CO 0.74 0.04 0.28 -0.44 -2.09 0.00 0.00 179.45 177.97 1qx5 h ASP 22 N 0.00 0.46 0.00 7.07 3.45 -1.93 -3.45 116.42 122.03 1qx5 h ASP 22 Ca -0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1qx5 h ASP 22 Cb 0.07 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1qx5 h ASP 22 CO 0.00 0.33 0.00 0.61 -1.57 0.00 0.00 179.24 178.62 1qx5 n GLY 23 N -1.48 1.80 0.00 2.75 0.00 -0.70 -4.97 105.19 102.60 1qx5 n GLY 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.10 1.61 3.85 -1.26 -5.00 116.55 114.64 1qx5 n ASP 24 Ca 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.06 1qx5 n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1qx5 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qx5 n GLY 25 N 2.26 -0.11 3.07 6.12 0.00 -1.26 -5.07 105.19 110.20 1qx5 n GLY 25 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.02 0.13 -0.06 2.61 -4.23 -1.26 -1.29 115.64 111.56 1qx5 s THR 26 Ca 0.01 -1.08 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 1qx5 s THR 26 Cb 0.05 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 73.20 1qx5 s THR 26 CO -0.02 -0.59 0.26 0.27 -0.54 0.00 0.00 174.62 174.00 1qx5 s ILE 27 N -2.26 0.03 0.97 2.99 -4.36 -0.24 -4.84 121.20 113.49 1qx5 s ILE 27 Ca -0.08 -0.24 -0.12 0.00 -0.26 0.00 0.00 60.65 59.95 1qx5 s ILE 27 Cb -0.04 -0.45 0.17 0.00 1.25 0.00 0.00 42.46 43.40 1qx5 s ILE 27 CO -0.03 -0.13 1.09 0.42 0.24 0.00 0.00 174.94 176.52 1qx5 s THR 28 N -0.48 2.34 0.41 8.37 -4.23 -1.26 -0.78 115.64 120.01 1qx5 s THR 28 Ca -0.06 0.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.78 1qx5 s THR 28 Cb -0.04 -2.51 0.24 0.00 1.34 0.00 0.00 72.50 71.53 1qx5 s THR 28 CO 0.02 -0.15 2.01 0.00 -0.54 0.00 0.00 174.62 175.96 1qx5 h THR 29 N -1.84 0.80 -0.31 3.99 1.03 -1.07 -2.29 112.91 113.21 1qx5 h THR 29 Ca -0.53 -0.68 -0.11 0.00 -0.01 0.00 0.00 66.41 65.09 1qx5 h THR 29 Cb 1.31 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 69.77 1qx5 h THR 29 CO 0.54 0.17 -0.24 0.50 -0.01 0.00 0.00 175.52 176.48 1qx5 h LYS 30 N 0.00 0.62 0.00 0.00 1.63 -1.91 -2.37 116.57 114.53 1qx5 h LYS 30 Ca -0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1qx5 h LYS 30 Cb 0.39 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1qx5 h LYS 30 CO 0.02 0.81 -0.10 0.39 -3.45 0.00 0.00 179.45 177.13 1qx5 n GLU 31 N -4.11 0.27 -0.04 1.90 1.02 -0.90 -3.61 120.64 115.17 1qx5 n GLU 31 Ca -0.00 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.22 1qx5 n GLU 31 Cb 0.42 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1qx5 n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1qx5 h LEU 32 N 0.00 0.22 -0.72 -4.62 5.85 -1.05 -0.46 115.31 114.53 1qx5 h LEU 32 Ca 0.00 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1qx5 h LEU 32 Cb 0.74 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1qx5 h LEU 32 CO 0.00 0.37 0.31 1.23 -0.34 0.00 0.00 178.44 180.01 1qx5 h GLY 33 N 0.06 1.07 0.97 3.75 0.00 -1.62 0.11 103.07 107.41 1qx5 h GLY 33 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1qx5 h GLY 33 CO -0.00 -0.02 0.06 -0.84 0.00 0.00 0.00 176.54 175.74 1qx5 h THR 34 N 0.51 1.25 -0.68 4.70 2.02 -1.62 -1.03 112.91 118.05 1qx5 h THR 34 Ca 0.37 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.66 1qx5 h THR 34 Cb 0.48 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1qx5 h THR 34 CO -0.33 0.33 0.39 0.58 0.37 0.00 0.00 175.52 176.86 1qx5 h VAL 35 N 0.64 1.00 0.43 3.16 2.07 -0.11 0.40 116.25 123.84 1qx5 h VAL 35 Ca 0.14 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1qx5 h VAL 35 Cb 0.41 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1qx5 h VAL 35 CO 0.01 0.13 -0.21 0.24 0.02 0.00 0.00 177.57 177.77 1qx5 h MET 36 N 0.73 -0.56 -0.85 1.57 2.86 -0.45 -2.64 114.93 115.58 1qx5 h MET 36 Ca 0.30 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 58.13 1qx5 h MET 36 Cb 0.15 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 1qx5 h MET 36 CO -0.17 -0.27 0.44 0.00 1.06 0.00 0.00 176.91 177.97 1qx5 h ARG 37 N -0.80 0.60 0.00 1.72 3.08 -1.08 1.09 114.38 119.00 1qx5 h ARG 37 Ca -0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1qx5 h ARG 37 Cb 0.54 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1qx5 h ARG 37 CO 0.10 0.40 0.00 -1.13 -1.07 0.00 0.00 179.97 178.27 1qx5 n SER 38 N -4.87 0.00 -0.30 7.04 3.41 0.12 -1.22 113.62 117.80 1qx5 n SER 38 Ca 0.17 0.20 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 1qx5 n SER 38 Cb 0.44 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.29 1.53 0.00 1.04 4.77 0.37 -4.99 117.00 118.43 1qx5 n LEU 39 Ca 0.03 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1qx5 n LEU 39 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1qx5 n LEU 39 CO 0.05 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1qx5 n GLY 40 N 1.33 0.67 2.83 -0.72 0.00 -0.35 -5.00 105.19 103.94 1qx5 n GLY 40 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1qx5 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qx5 s GLN 41 N -0.92 1.08 -0.34 1.61 -2.07 -1.20 -3.98 119.66 113.84 1qx5 s GLN 41 Ca 0.00 -0.60 -0.18 0.00 -1.82 0.00 0.00 55.36 52.76 1qx5 s GLN 41 Cb 0.00 -2.21 -0.01 0.00 -1.09 0.00 0.00 33.01 29.70 1qx5 s GLN 41 CO 0.00 -0.58 0.50 0.54 -1.32 0.00 0.00 175.29 174.43 1qx5 s ASN 42 N 1.68 6.32 0.59 12.60 6.03 -1.26 -3.41 114.94 137.49 1qx5 s ASN 42 Ca -0.02 0.05 -0.15 0.00 -1.03 0.00 0.00 52.86 51.71 1qx5 s ASN 42 Cb -0.17 -2.27 -0.04 0.00 -3.03 0.00 0.00 41.25 35.74 1qx5 s ASN 42 CO -0.07 -0.44 1.03 -2.84 -2.03 0.00 0.00 177.10 172.75 1qx5 s PRO 43 N 2.36 3.51 0.48 3.55 0.02 -1.26 -5.05 135.00 138.61 1qx5 s PRO 43 Ca 0.19 1.01 -0.15 0.00 0.02 0.00 0.00 61.00 62.07 1qx5 s PRO 43 Cb -0.15 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1qx5 s PRO 43 CO 0.13 -0.64 0.92 0.95 -0.33 0.00 0.00 177.00 178.03 1qx5 s THR 44 N -2.71 4.59 0.44 0.99 -4.23 -1.26 -4.82 115.64 108.64 1qx5 s THR 44 Ca 0.60 1.07 0.29 0.00 -1.18 0.00 0.00 61.69 62.47 1qx5 s THR 44 Cb -0.13 -3.71 0.48 0.00 1.34 0.00 0.00 72.50 70.48 1qx5 s THR 44 CO 0.40 -0.61 1.67 -0.08 -0.54 0.00 0.00 174.62 175.46 1qx5 h GLU 45 N 1.10 0.15 0.26 3.99 4.57 -2.00 -0.32 114.58 122.34 1qx5 h GLU 45 Ca -0.47 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1qx5 h GLU 45 Cb 1.18 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1qx5 h GLU 45 CO 0.62 0.10 -0.13 0.00 -1.18 0.00 0.00 179.01 178.42 1qx5 h ALA 46 N 1.56 -0.36 -0.71 2.92 0.00 -1.99 -2.26 119.26 118.43 1qx5 h ALA 46 Ca 0.75 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.61 1qx5 h ALA 46 Cb 2.34 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 20.16 1qx5 h ALA 46 CO -0.34 -0.45 0.14 0.93 0.00 0.00 0.00 179.25 179.54 1qx5 h GLU 47 N -0.86 0.23 -0.56 0.00 5.08 -1.46 0.13 114.58 117.15 1qx5 h GLU 47 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1qx5 h GLU 47 Cb 0.51 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1qx5 h GLU 47 CO 0.06 0.16 0.29 -0.07 -1.00 0.00 0.00 179.01 178.45 1qx5 h LEU 48 N 0.24 0.71 -0.33 1.33 3.38 -1.35 -2.63 115.31 116.66 1qx5 h LEU 48 Ca 0.39 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1qx5 h LEU 48 Cb 0.66 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1qx5 h LEU 48 CO -0.51 0.62 -0.12 -0.61 0.09 0.00 0.00 178.44 177.91 1qx5 h GLN 49 N 0.76 -0.05 -0.18 1.13 5.75 -0.16 -0.91 115.11 121.45 1qx5 h GLN 49 Ca 0.20 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 1qx5 h GLN 49 Cb 0.07 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 1qx5 h GLN 49 CO -0.03 -0.03 -0.10 -0.44 -2.65 0.00 0.00 178.83 175.58 1qx5 h ASP 50 N -0.05 -0.32 -0.62 -0.69 3.32 -1.07 -2.40 116.42 114.59 1qx5 h ASP 50 Ca 0.16 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.40 1qx5 h ASP 50 Cb 0.30 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 1qx5 h ASP 50 CO -0.37 -0.13 0.18 0.24 -1.72 0.00 0.00 179.24 177.44 1qx5 h MET 51 N -0.08 0.31 -0.01 3.56 2.86 -0.92 0.72 114.93 121.36 1qx5 h MET 51 Ca 0.10 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1qx5 h MET 51 Cb 0.24 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1qx5 h MET 51 CO -0.24 0.21 -0.14 0.82 1.06 0.00 0.00 176.91 178.62 1qx5 h ILE 52 N 0.32 1.11 0.32 -1.22 2.04 -0.78 -2.56 117.51 116.75 1qx5 h ILE 52 Ca 0.33 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1qx5 h ILE 52 Cb 0.46 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1qx5 h ILE 52 CO -0.37 0.15 -0.16 0.78 0.00 0.00 0.00 178.15 178.55 1qx5 h ASN 53 N 0.02 -0.37 -1.20 1.72 -0.26 -0.43 0.23 115.58 115.29 1qx5 h ASN 53 Ca 0.00 0.00 0.34 0.00 -0.56 0.00 0.00 56.30 56.09 1qx5 h ASN 53 Cb 0.27 0.10 -0.07 0.00 -1.06 0.00 0.00 38.32 37.55 1qx5 h ASN 53 CO 0.02 0.08 0.83 -0.08 -1.06 0.00 0.00 177.43 177.22 1qx5 h GLU 54 N -1.11 0.12 0.00 0.81 4.81 -1.21 0.20 114.58 118.20 1qx5 h GLU 54 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1qx5 h GLU 54 Cb 0.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1qx5 h GLU 54 CO 0.07 0.08 -0.12 0.28 -0.73 0.00 0.00 179.01 178.60 1qx5 n VAL 55 N -4.35 0.29 -2.89 0.32 0.31 -0.97 -4.81 118.33 106.23 1qx5 n VAL 55 Ca 0.28 0.44 -0.23 0.00 -0.01 0.00 0.00 64.34 64.82 1qx5 n VAL 55 Cb 1.20 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1qx5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1qx5 n ASP 56 N -2.76 3.30 0.00 4.52 4.64 0.78 -4.83 116.55 122.21 1qx5 n ASP 56 Ca -0.02 -3.43 0.03 0.00 -1.38 0.00 0.00 54.79 50.00 1qx5 n ASP 56 Cb 0.06 -0.55 0.19 0.00 -1.04 0.00 0.00 41.12 39.78 1qx5 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1qx5 n ALA 57 N -0.14 1.93 0.86 -1.67 0.00 0.05 -2.81 120.51 118.73 1qx5 n ALA 57 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1qx5 n ALA 57 Cb 0.55 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.92 1qx5 n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qx5 n ASP 58 N -0.76 1.72 -0.50 0.00 9.92 -1.26 -4.83 116.55 120.84 1qx5 n ASP 58 Ca 0.05 -2.08 -0.05 0.00 -0.53 0.00 0.00 54.79 52.18 1qx5 n ASP 58 Cb 0.02 -0.52 -0.02 0.00 -0.64 0.00 0.00 41.12 39.96 1qx5 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qx5 n GLY 59 N 0.12 0.47 0.23 0.44 0.00 -1.12 -4.75 105.19 100.56 1qx5 n GLY 59 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1qx5 n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qx5 h ASN 60 N 0.00 0.00 0.00 1.61 2.35 -1.89 -3.47 115.58 114.19 1qx5 h ASN 60 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1qx5 h ASN 60 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1qx5 h ASN 60 CO 0.15 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 1qx5 n GLY 61 N 0.54 2.53 3.91 2.83 0.00 -1.26 -4.98 105.19 108.76 1qx5 n GLY 61 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.37 3.38 -0.05 2.61 -4.23 -1.26 -0.41 115.64 115.30 1qx5 s THR 62 Ca 0.00 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1qx5 s THR 62 Cb 0.00 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.47 1qx5 s THR 62 CO 0.00 -0.45 0.12 -0.63 -0.54 0.00 0.00 174.62 173.12 1qx5 s ILE 63 N -3.17 -0.02 0.09 2.99 1.01 0.04 -4.53 121.20 117.62 1qx5 s ILE 63 Ca 0.56 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 1qx5 s ILE 63 Cb -0.11 -0.19 -0.06 0.00 0.01 0.00 0.00 42.46 42.12 1qx5 s ILE 63 CO 0.47 0.03 0.37 -1.81 0.00 0.00 0.00 174.94 174.00 1qx5 s ASP 64 N 0.44 6.57 0.27 3.58 1.11 -1.26 -1.08 116.67 126.30 1qx5 s ASP 64 Ca -0.03 0.69 -0.01 0.00 0.18 0.00 0.00 52.55 53.38 1qx5 s ASP 64 Cb -0.05 -2.13 0.48 0.00 1.07 0.00 0.00 42.92 42.29 1qx5 s ASP 64 CO -0.02 0.14 1.84 0.15 1.18 0.00 0.00 175.17 178.46 1qx5 h PHE 65 N 3.43 1.08 0.37 4.23 3.57 -1.60 0.43 116.94 128.45 1qx5 h PHE 65 Ca -0.48 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1qx5 h PHE 65 Cb 1.18 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1qx5 h PHE 65 CO 0.65 0.46 -0.18 -1.35 -2.23 0.00 0.00 178.31 175.66 1qx5 h PRO 66 N 0.98 -0.48 -0.34 6.41 0.11 -1.95 0.71 132.00 137.44 1qx5 h PRO 66 Ca 0.46 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.69 1qx5 h PRO 66 Cb 0.38 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1qx5 h PRO 66 CO -0.24 -0.26 0.24 0.93 -0.21 0.00 0.00 178.00 178.46 1qx5 h GLU 67 N -0.60 0.06 0.03 1.05 5.08 -1.87 0.15 114.58 118.47 1qx5 h GLU 67 Ca -0.05 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 1qx5 h GLU 67 Cb 0.44 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.70 1qx5 h GLU 67 CO 0.08 0.04 -1.01 0.35 -1.00 0.00 0.00 179.01 177.48 1qx5 h PHE 68 N 0.06 0.96 -0.53 4.33 3.04 -0.30 -2.44 116.94 122.06 1qx5 h PHE 68 Ca 0.16 -0.54 -0.10 0.00 3.98 0.00 0.00 57.97 61.47 1qx5 h PHE 68 Cb 0.56 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1qx5 h PHE 68 CO -0.00 1.38 -0.05 1.25 -2.02 0.00 0.00 178.31 178.87 1qx5 h LEU 69 N 0.27 0.96 -0.33 0.59 5.85 0.21 0.66 115.31 123.52 1qx5 h LEU 69 Ca -0.13 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1qx5 h LEU 69 Cb 1.68 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1qx5 h LEU 69 CO 0.20 1.06 0.14 0.71 -0.34 0.00 0.00 178.44 180.21 1qx5 h THR 70 N 0.84 1.18 -0.90 1.05 1.35 -0.86 -1.62 112.91 113.95 1qx5 h THR 70 Ca 0.14 -0.54 0.04 0.00 -0.55 0.00 0.00 66.41 65.51 1qx5 h THR 70 Cb 0.60 0.92 -0.05 0.00 -1.73 0.00 0.00 68.15 67.88 1qx5 h THR 70 CO 0.04 0.19 0.59 -0.03 -0.25 0.00 0.00 175.52 176.06 1qx5 h MET 71 N 0.39 1.07 0.00 4.72 1.85 -1.17 -2.05 114.93 119.74 1qx5 h MET 71 Ca 0.11 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 59.06 1qx5 h MET 71 Cb 0.17 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 1qx5 h MET 71 CO -0.01 0.71 -0.35 0.52 -0.40 0.00 0.00 176.91 177.38 1qx5 h MET 72 N 1.11 0.00 0.05 0.39 2.07 -0.35 -2.90 114.93 115.30 1qx5 h MET 72 Ca 0.36 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.74 1qx5 h MET 72 Cb 0.05 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 29.80 1qx5 h MET 72 CO -0.11 0.35 -1.00 0.00 1.07 0.00 0.00 176.91 177.22 1qx5 h ALA 73 N 1.65 0.06 0.00 6.32 0.00 -0.62 -1.46 119.26 125.20 1qx5 h ALA 73 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1qx5 h ALA 73 Cb 0.76 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1qx5 h ALA 73 CO 0.05 0.59 -0.04 0.07 0.00 0.00 0.00 179.25 179.91 1qx5 h ARG 74 N 0.20 0.00 -0.00 0.00 0.11 -1.38 -2.94 114.38 110.38 1qx5 h ARG 74 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1qx5 h ARG 74 Cb 1.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.76 1qx5 h ARG 74 CO 0.19 0.04 -0.66 0.36 0.10 0.00 0.00 179.97 180.01 1qx5 n LYS 75 N -3.19 2.26 0.00 0.08 -0.00 -1.10 -4.30 118.16 111.91 1qx5 n LYS 75 Ca -0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 58.31 58.36 1qx5 n LYS 75 Cb 0.28 -1.18 0.45 0.00 -0.00 0.00 0.00 35.03 34.58 1qx5 n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1qx5 n MET 76 N -1.30 0.95 -0.07 -1.58 1.56 -0.55 -3.20 117.12 112.93 1qx5 n MET 76 Ca 0.03 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.35 1qx5 n MET 76 Cb 0.23 -1.25 -0.09 0.00 2.15 0.00 0.00 33.22 34.26 1qx5 n MET 76 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1qx5 h LYS 77 N 0.00 0.00 -3.49 2.12 1.63 -1.75 -3.37 116.57 111.71 1qx5 h LYS 77 Ca 0.00 0.00 -0.78 0.00 -0.85 0.00 0.00 60.65 59.02 1qx5 h LYS 77 Cb 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.42 1qx5 h LYS 77 CO 0.00 0.66 1.39 -3.47 -3.45 0.00 0.00 179.45 174.58 1qx5 n ASP 78 N -4.63 5.58 -3.30 4.20 2.03 -1.19 -4.84 116.55 114.39 1qx5 n ASP 78 Ca -0.10 -3.18 -0.07 0.00 0.52 0.00 0.00 54.79 51.95 1qx5 n ASP 78 Cb 0.36 -1.42 -0.06 0.00 -0.72 0.00 0.00 41.12 39.29 1qx5 n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1qx5 s THR 79 N -0.63 -0.68 0.17 5.18 2.01 -1.26 -5.05 115.64 115.37 1qx5 s THR 79 Ca 0.36 -0.18 -0.26 0.00 0.31 0.00 0.00 61.69 61.93 1qx5 s THR 79 Cb 0.05 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.54 1qx5 s THR 79 CO 0.03 -0.19 0.79 1.51 -0.69 0.00 0.00 174.62 176.07 1qx5 s ASP 80 N 2.59 7.41 0.37 3.53 1.47 -1.26 -4.95 116.67 125.82 1qx5 s ASP 80 Ca 0.12 1.66 0.24 0.00 1.18 0.00 0.00 52.55 55.75 1qx5 s ASP 80 Cb -0.13 -2.51 1.31 0.00 -0.34 0.00 0.00 42.92 41.25 1qx5 s ASP 80 CO -0.25 0.20 1.73 0.77 0.68 0.00 0.00 175.17 178.30 1qx5 h SER 81 N 4.37 0.00 0.63 2.11 4.64 -2.01 -1.74 113.55 121.55 1qx5 h SER 81 Ca -0.47 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.74 1qx5 h SER 81 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1qx5 h SER 81 CO 0.66 0.00 -0.56 -0.08 -0.87 0.00 0.00 176.83 175.99 1qx5 h GLU 82 N 0.00 0.00 -0.19 4.77 4.81 -2.00 -3.06 114.58 118.90 1qx5 h GLU 82 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1qx5 h GLU 82 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1qx5 h GLU 82 CO 0.00 0.56 -0.09 0.93 -0.73 0.00 0.00 179.01 179.68 1qx5 h GLU 83 N 0.00 0.40 -0.92 1.92 4.39 -1.69 -2.32 114.58 116.36 1qx5 h GLU 83 Ca -0.01 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1qx5 h GLU 83 Cb 1.02 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 1qx5 h GLU 83 CO 0.07 0.70 0.56 0.93 -1.16 0.00 0.00 179.01 180.11 1qx5 h GLU 84 N 0.10 1.25 -0.38 2.33 5.08 -1.67 -1.19 114.58 120.11 1qx5 h GLU 84 Ca 0.04 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1qx5 h GLU 84 Cb 0.58 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1qx5 h GLU 84 CO 0.03 0.88 -0.29 0.82 -1.00 0.00 0.00 179.01 179.45 1qx5 h ILE 85 N 1.27 1.28 -0.63 3.13 2.04 -1.54 -2.02 117.51 121.05 1qx5 h ILE 85 Ca 0.33 -1.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 1qx5 h ILE 85 Cb -0.05 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1qx5 h ILE 85 CO -0.06 0.48 0.14 -0.09 0.00 0.00 0.00 178.15 178.62 1qx5 h ARG 86 N 0.67 0.99 -0.75 2.37 2.43 -1.09 -1.83 114.38 117.17 1qx5 h ARG 86 Ca 0.07 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1qx5 h ARG 86 Cb 0.86 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1qx5 h ARG 86 CO 0.08 0.89 0.28 0.93 -1.51 0.00 0.00 179.97 180.63 1qx5 h GLU 87 N 0.95 1.13 -0.13 0.20 4.39 -0.90 -1.31 114.58 118.91 1qx5 h GLU 87 Ca 0.20 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1qx5 h GLU 87 Cb 0.35 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1qx5 h GLU 87 CO 0.00 0.93 -0.07 0.00 -1.16 0.00 0.00 179.01 178.71 1qx5 h ALA 88 N 1.20 0.04 -0.02 3.43 0.00 -0.81 -2.24 119.26 120.86 1qx5 h ALA 88 Ca 0.25 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1qx5 h ALA 88 Cb 0.24 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qx5 h ALA 88 CO -0.02 -0.52 -0.26 0.74 0.00 0.00 0.00 179.25 179.20 1qx5 h PHE 89 N -0.06 0.03 -0.14 0.00 -1.00 -0.82 -2.47 116.94 112.47 1qx5 h PHE 89 Ca 0.08 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.89 1qx5 h PHE 89 Cb 0.18 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1qx5 h PHE 89 CO -0.20 0.28 0.10 0.00 -1.61 0.00 0.00 178.31 176.88 1qx5 h ARG 90 N 0.02 0.02 -0.67 1.51 3.08 -0.65 -1.46 114.38 116.23 1qx5 h ARG 90 Ca 0.00 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1qx5 h ARG 90 Cb 0.47 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1qx5 h ARG 90 CO 0.03 0.01 0.45 0.28 -1.07 0.00 0.00 179.97 179.67 1qx5 h VAL 91 N 0.02 0.89 0.00 2.04 2.07 -1.17 0.14 116.25 120.24 1qx5 h VAL 91 Ca 0.07 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1qx5 h VAL 91 Cb 0.24 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1qx5 h VAL 91 CO -0.00 0.09 0.00 0.49 0.02 0.00 0.00 177.57 178.17 1qx5 n PHE 92 N -4.48 0.95 -2.81 1.57 3.01 -0.55 -4.70 117.46 110.46 1qx5 n PHE 92 Ca 0.11 0.28 -0.43 0.00 1.01 0.00 0.00 57.45 58.43 1qx5 n PHE 92 Cb 0.39 -0.96 -0.04 0.00 -0.01 0.00 0.00 39.48 38.85 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 -4.55 6.42 -0.06 4.37 -1.08 0.50 -4.62 116.67 117.65 1qx5 s ASP 93 Ca 0.10 -0.11 -0.02 0.00 -0.52 0.00 0.00 52.55 52.00 1qx5 s ASP 93 Cb 0.12 -2.45 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 1qx5 s ASP 93 CO 0.58 -1.17 0.09 0.11 0.52 0.00 0.00 175.17 175.30 1qx5 h LYS 94 N 9.23 -0.06 0.00 4.34 6.56 -1.82 -3.32 116.57 131.50 1qx5 h LYS 94 Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1qx5 h LYS 94 Cb 1.07 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 1qx5 h LYS 94 CO 1.07 -0.04 0.00 -0.40 -2.06 0.00 0.00 179.45 178.02 1qx5 n ASP 95 N -3.84 0.00 -0.04 0.86 5.68 -1.26 -4.86 116.55 113.10 1qx5 n ASP 95 Ca -0.01 -0.34 -0.01 0.00 -0.50 0.00 0.00 54.79 53.93 1qx5 n ASP 95 Cb 0.02 -0.12 -0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1qx5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qx5 n GLY 96 N 0.27 0.27 0.00 6.12 0.00 -1.25 -4.86 105.19 105.75 1qx5 n GLY 96 Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.53 0.00 0.00 1.61 2.04 -1.26 -4.85 115.26 112.28 1qx5 n ASN 97 Ca -0.01 -0.86 0.00 0.00 -0.44 0.00 0.00 54.58 53.27 1qx5 n ASN 97 Cb 0.28 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.53 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 0.20 1.17 3.60 4.83 0.00 -1.26 -5.05 105.19 108.67 1qx5 n GLY 98 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.74 2.63 0.14 1.61 2.02 -1.26 -5.07 117.35 114.68 1qx5 s TYR 99 Ca 0.00 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1qx5 s TYR 99 Cb 0.00 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1qx5 s TYR 99 CO 0.00 0.58 0.13 0.96 -1.57 0.00 0.00 175.55 175.65 1qx5 s ILE 100 N -2.04 0.09 -0.23 2.71 -4.36 -1.26 -4.38 121.20 111.73 1qx5 s ILE 100 Ca 0.28 -1.73 -0.20 0.00 -0.26 0.00 0.00 60.65 58.75 1qx5 s ILE 100 Cb -0.07 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 1qx5 s ILE 100 CO 0.17 -0.43 0.59 -0.55 0.24 0.00 0.00 174.94 174.97 1qx5 s SER 101 N -3.02 6.58 0.25 4.36 0.15 -1.26 -4.93 113.70 115.82 1qx5 s SER 101 Ca 0.21 0.70 -0.04 0.00 0.70 0.00 0.00 55.95 57.53 1qx5 s SER 101 Cb 0.06 -2.32 0.42 0.00 -1.71 0.00 0.00 66.02 62.47 1qx5 s SER 101 CO 0.01 -0.30 1.80 0.00 1.20 0.00 0.00 173.24 175.95 1qx5 h ALA 102 N 7.73 1.21 0.43 5.45 0.00 -2.00 -1.63 119.26 130.46 1qx5 h ALA 102 Ca -0.29 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1qx5 h ALA 102 Cb 1.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1qx5 h ALA 102 CO 0.76 0.08 -0.29 0.00 0.00 0.00 0.00 179.25 179.80 1qx5 h ALA 103 N 1.47 -1.10 -0.79 0.00 0.00 -1.99 -0.90 119.26 115.96 1qx5 h ALA 103 Ca 0.41 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1qx5 h ALA 103 Cb 0.41 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1qx5 h ALA 103 CO -0.26 -1.08 0.26 0.93 0.00 0.00 0.00 179.25 179.10 1qx5 h GLU 104 N -0.68 0.33 0.00 0.00 5.08 -1.92 0.23 114.58 117.62 1qx5 h GLU 104 Ca -0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1qx5 h GLU 104 Cb 0.55 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1qx5 h GLU 104 CO 0.05 0.22 -0.24 1.25 -1.00 0.00 0.00 179.01 179.29 1qx5 h LEU 105 N 0.34 -0.70 0.24 1.33 6.46 -1.13 -0.05 115.31 121.80 1qx5 h LEU 105 Ca 0.46 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.31 1qx5 h LEU 105 Cb 0.79 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1qx5 h LEU 105 CO -0.50 -0.31 -0.15 -0.09 -0.62 0.00 0.00 178.44 176.78 1qx5 h ARG 106 N -0.37 -0.36 -0.45 1.25 2.43 0.40 0.34 114.38 117.62 1qx5 h ARG 106 Ca 0.06 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1qx5 h ARG 106 Cb 0.45 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1qx5 h ARG 106 CO -0.21 -0.24 0.31 1.25 -1.51 0.00 0.00 179.97 179.57 1qx5 h HIS 107 N -0.38 0.13 0.14 2.20 2.76 -0.40 -0.73 115.15 118.88 1qx5 h HIS 107 Ca -0.02 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.84 1qx5 h HIS 107 Cb 0.32 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1qx5 h HIS 107 CO -0.09 0.06 -1.55 0.28 -1.30 0.00 0.00 177.93 175.33 1qx5 h VAL 108 N 0.12 1.15 0.14 5.26 2.07 -0.35 -2.88 116.25 121.77 1qx5 h VAL 108 Ca 0.21 -2.76 -0.28 0.00 0.82 0.00 0.00 66.70 64.69 1qx5 h VAL 108 Cb 0.68 2.80 0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1qx5 h VAL 108 CO -0.02 0.83 -1.18 0.24 0.02 0.00 0.00 177.57 177.45 1qx5 h MET 109 N 0.08 0.56 0.05 1.57 2.86 -0.56 -2.69 114.93 116.80 1qx5 h MET 109 Ca -0.25 -0.79 -0.33 0.00 -2.06 0.00 0.00 59.70 56.27 1qx5 h MET 109 Cb 2.04 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 33.93 1qx5 h MET 109 CO 0.18 1.36 -1.83 0.25 1.06 0.00 0.00 176.91 177.92 1qx5 n THR 110 N -3.86 1.63 0.00 2.22 -2.24 -0.31 -3.59 114.28 108.13 1qx5 n THR 110 Ca -0.14 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1qx5 n THR 110 Cb 0.96 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1qx5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qx5 n ASN 111 N -3.91 0.00 -0.19 3.42 5.03 -1.10 -2.93 115.26 115.58 1qx5 n ASN 111 Ca -0.36 0.29 0.14 0.00 0.87 0.00 0.00 54.58 55.52 1qx5 n ASN 111 Cb 0.89 -0.14 0.46 0.00 -1.02 0.00 0.00 39.78 39.96 1qx5 n ASN 111 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1qx5 h LEU 112 N 0.00 0.48 -1.19 3.41 5.85 -1.62 0.24 115.31 122.48 1qx5 h LEU 112 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1qx5 h LEU 112 Cb 0.00 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1qx5 h LEU 112 CO 0.00 0.26 0.16 1.23 -0.34 0.00 0.00 178.44 179.74 1qx5 h GLY 113 N 0.52 0.77 0.82 3.75 0.00 -1.53 -2.34 103.07 105.05 1qx5 h GLY 113 Ca 0.38 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1qx5 h GLY 113 CO -0.14 0.38 -0.20 -2.09 0.00 0.00 0.00 176.54 174.49 1qx5 h GLU 114 N 0.71 0.47 0.00 4.80 4.57 -0.44 -3.08 114.58 121.60 1qx5 h GLU 114 Ca 0.16 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1qx5 h GLU 114 Cb 0.20 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1qx5 h GLU 114 CO -0.01 0.83 0.00 1.63 -1.18 0.00 0.00 179.01 180.28 1qx5 n LYS 115 N -4.45 0.11 -5.02 1.92 5.02 -0.69 -4.72 118.16 110.33 1qx5 n LYS 115 Ca -0.05 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 1qx5 n LYS 115 Cb 0.40 -1.72 -0.16 0.00 -0.02 0.00 0.00 35.03 33.53 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 -3.87 1.98 0.23 -0.35 1.43 -0.91 -5.10 118.68 112.09 1qx5 s LEU 116 Ca 0.05 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1qx5 s LEU 116 Cb 0.09 -1.16 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 1qx5 s LEU 116 CO 0.33 0.18 0.50 0.42 0.23 0.00 0.00 176.35 178.01 1qx5 s THR 117 N 0.03 5.04 -0.68 5.49 -4.23 -1.26 -4.81 115.64 115.22 1qx5 s THR 117 Ca -0.06 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1qx5 s THR 117 Cb -0.13 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1qx5 s THR 117 CO 0.04 -0.15 0.75 -0.67 -0.54 0.00 0.00 174.62 174.04 1qx5 n ASP 118 N -0.44 0.00 -0.00 3.99 2.03 -1.26 0.46 116.55 121.33 1qx5 n ASP 118 Ca -0.01 0.27 0.05 0.00 0.52 0.00 0.00 54.79 55.62 1qx5 n ASP 118 Cb 0.53 -0.27 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 1qx5 n ASP 118 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1qx5 n GLU 119 N -1.25 3.09 0.06 -0.67 0.00 -1.26 -4.42 120.64 116.20 1qx5 n GLU 119 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 57.16 57.06 1qx5 n GLU 119 Cb 0.17 -1.02 -0.12 0.00 0.00 0.00 0.00 31.44 30.47 1qx5 n GLU 119 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1qx5 h GLU 120 N 0.00 0.03 -0.63 5.31 5.08 -0.36 -3.09 114.58 120.92 1qx5 h GLU 120 Ca 0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1qx5 h GLU 120 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1qx5 h GLU 120 CO 0.00 1.00 0.26 0.28 -1.00 0.00 0.00 179.01 179.55 1qx5 h VAL 121 N 0.01 1.23 0.01 3.13 2.07 -1.76 0.86 116.25 121.81 1qx5 h VAL 121 Ca -0.04 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1qx5 h VAL 121 Cb 1.80 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1qx5 h VAL 121 CO 0.14 0.28 -0.04 -0.78 0.02 0.00 0.00 177.57 177.19 1qx5 h ASP 122 N 0.88 -0.12 -0.25 0.57 3.58 -1.77 -2.07 116.42 117.25 1qx5 h ASP 122 Ca 0.21 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1qx5 h ASP 122 Cb 0.19 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1qx5 h ASP 122 CO -0.02 -0.07 0.13 -0.33 -2.88 0.00 0.00 179.24 176.08 1qx5 h GLU 123 N -0.08 0.35 -0.81 0.28 5.08 -1.40 -1.90 114.58 116.09 1qx5 h GLU 123 Ca 0.01 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1qx5 h GLU 123 Cb 0.10 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1qx5 h GLU 123 CO -0.04 0.32 0.53 0.52 -1.00 0.00 0.00 179.01 179.34 1qx5 h MET 124 N 0.28 0.81 -0.13 2.33 2.86 -0.67 0.13 114.93 120.54 1qx5 h MET 124 Ca 0.09 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 1qx5 h MET 124 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1qx5 h MET 124 CO -0.01 0.53 -0.55 0.82 1.06 0.00 0.00 176.91 178.76 1qx5 h ILE 125 N 0.83 1.35 -0.06 -1.22 2.04 -1.06 -1.39 117.51 117.99 1qx5 h ILE 125 Ca 0.36 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1qx5 h ILE 125 Cb 0.31 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1qx5 h ILE 125 CO -0.13 0.55 -0.01 0.03 0.00 0.00 0.00 178.15 178.59 1qx5 h ARG 126 N 0.29 0.12 -0.05 2.37 3.08 -0.44 -3.19 114.38 116.56 1qx5 h ARG 126 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1qx5 h ARG 126 Cb 1.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1qx5 h ARG 126 CO 0.09 0.44 -0.20 1.49 -1.07 0.00 0.00 179.97 180.73 1qx5 h GLU 127 N -0.21 0.09 -7.27 0.04 4.81 -0.95 -3.43 114.58 107.65 1qx5 h GLU 127 Ca 0.02 -0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 1qx5 h GLU 127 Cb 0.40 -0.01 0.06 0.00 0.63 0.00 0.00 28.75 29.83 1qx5 h GLU 127 CO 0.01 0.29 0.30 0.00 -0.73 0.00 0.00 179.01 178.87 1qx5 s ALA 128 N -4.59 3.13 -0.39 2.92 0.00 -0.53 -5.01 121.76 117.29 1qx5 s ALA 128 Ca -0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1qx5 s ALA 128 Cb 0.15 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.45 1qx5 s ALA 128 CO 0.72 -0.83 0.25 0.16 0.00 0.00 0.00 175.76 176.05 1qx5 s ASP 129 N -4.27 5.87 0.36 0.00 3.84 -1.26 -4.89 116.67 116.32 1qx5 s ASP 129 Ca 0.55 -1.00 -0.20 0.00 -0.00 0.00 0.00 52.55 51.90 1qx5 s ASP 129 Cb -0.11 -2.07 -0.10 0.00 -1.38 0.00 0.00 42.92 39.26 1qx5 s ASP 129 CO 0.49 -0.43 0.86 -0.63 -0.00 0.00 0.00 175.17 175.46 1qx5 s ILE 130 N 1.59 4.48 1.15 2.11 -1.09 -1.26 -4.67 121.20 123.51 1qx5 s ILE 130 Ca 0.03 1.34 -0.18 0.00 -2.23 0.00 0.00 60.65 59.61 1qx5 s ILE 130 Cb -0.19 -3.69 0.26 0.00 -1.58 0.00 0.00 42.46 37.26 1qx5 s ILE 130 CO 0.08 -0.16 1.13 -0.62 -1.23 0.00 0.00 174.94 174.14 1qx5 s ASP 131 N -2.08 1.38 0.00 3.58 3.68 0.43 -4.91 116.67 118.76 1qx5 s ASP 131 Ca 0.56 0.64 0.26 0.00 2.13 0.00 0.00 52.55 56.14 1qx5 s ASP 131 Cb -0.12 -0.90 1.49 0.00 -1.45 0.00 0.00 42.92 41.95 1qx5 s ASP 131 CO 0.17 -3.84 1.97 0.61 0.13 0.00 0.00 175.17 174.21 1qx5 n GLY 132 N -1.34 -0.87 0.25 2.66 0.00 -1.26 -2.43 105.19 102.20 1qx5 n GLY 132 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1qx5 n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qx5 n ASP 133 N -0.78 1.36 0.00 1.61 8.00 -1.26 -4.74 116.55 120.74 1qx5 n ASP 133 Ca 0.19 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 53.07 1qx5 n ASP 133 Cb 0.12 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.83 1.46 3.75 0.44 0.00 -1.02 -4.94 105.19 104.06 1qx5 n GLY 134 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.11 4.37 0.07 1.61 2.00 -1.26 -4.59 119.66 121.75 1qx5 s GLN 135 Ca 0.00 2.12 0.03 0.00 -2.00 0.00 0.00 55.36 55.51 1qx5 s GLN 135 Cb 0.00 -3.15 -0.03 0.00 0.80 0.00 0.00 33.01 30.63 1qx5 s GLN 135 CO 0.00 -0.24 -0.10 0.08 -0.50 0.00 0.00 175.29 174.53 1qx5 s VAL 136 N -0.22 0.79 -0.51 1.34 1.01 -1.26 -0.43 120.40 121.12 1qx5 s VAL 136 Ca 0.55 -1.33 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1qx5 s VAL 136 Cb -0.38 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1qx5 s VAL 136 CO 0.42 -0.42 0.76 0.21 0.00 0.00 0.00 175.10 176.07 1qx5 s ASN 137 N -1.92 6.30 0.57 3.32 3.84 -1.26 -4.92 114.94 120.86 1qx5 s ASN 137 Ca -0.03 -0.54 0.26 0.00 0.21 0.00 0.00 52.86 52.76 1qx5 s ASN 137 Cb -0.07 -2.36 1.60 0.00 -0.55 0.00 0.00 41.25 39.87 1qx5 s ASN 137 CO 0.00 -1.00 2.14 0.10 -2.79 0.00 0.00 177.10 175.55 1qx5 h TYR 138 N 9.09 0.00 -0.33 0.43 -0.00 -2.01 -1.26 116.97 122.89 1qx5 h TYR 138 Ca -0.26 0.00 0.10 0.00 0.00 0.00 0.00 58.73 58.56 1qx5 h TYR 138 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.80 1qx5 h TYR 138 CO 0.81 0.00 0.47 0.93 -0.00 0.00 0.00 178.16 180.37 1qx5 h GLU 139 N 0.00 0.00 -0.31 0.10 4.39 -1.99 -0.24 114.58 116.53 1qx5 h GLU 139 Ca 0.07 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1qx5 h GLU 139 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1qx5 h GLU 139 CO -0.00 0.00 -0.39 0.93 -1.16 0.00 0.00 179.01 178.39 1qx5 h GLU 140 N 0.00 0.73 -0.55 2.33 5.08 -1.64 -0.42 114.58 120.12 1qx5 h GLU 140 Ca 0.16 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1qx5 h GLU 140 Cb 1.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1qx5 h GLU 140 CO -0.00 0.99 -0.08 0.74 -1.00 0.00 0.00 179.01 179.66 1qx5 h PHE 141 N 0.60 1.12 -0.26 4.33 0.05 -1.28 -1.26 116.94 120.24 1qx5 h PHE 141 Ca 0.05 -0.22 -0.10 0.00 3.82 0.00 0.00 57.97 61.52 1qx5 h PHE 141 Cb 0.93 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.60 1qx5 h PHE 141 CO 0.05 1.03 -0.24 0.28 -0.18 0.00 0.00 178.31 179.25 1qx5 h VAL 142 N 0.91 1.31 -0.80 -0.55 2.07 -1.05 -1.57 116.25 116.56 1qx5 h VAL 142 Ca 0.15 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1qx5 h VAL 142 Cb 0.64 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1qx5 h VAL 142 CO 0.04 0.44 0.48 -0.61 0.02 0.00 0.00 177.57 177.95 1qx5 h GLN 143 N 0.35 1.09 -0.00 1.57 -0.00 -1.02 -1.44 115.11 115.66 1qx5 h GLN 143 Ca 0.04 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1qx5 h GLN 143 Cb 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 28.04 1qx5 h GLN 143 CO 0.06 0.76 -0.23 0.00 0.00 0.00 0.00 178.83 179.43 1qx5 n MET 144 N -4.38 0.09 0.02 1.69 0.00 -0.48 -3.60 117.12 110.46 1qx5 n MET 144 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 57.70 57.73 1qx5 n MET 144 Cb 0.06 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.69 1qx5 n MET 144 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1qx5 h MET 145 N 0.07 0.00 -0.01 3.17 2.86 -0.53 -3.51 114.93 116.99 1qx5 h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qx5 h MET 145 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1qx5 h MET 145 CO 0.00 0.36 0.00 0.25 1.06 0.00 0.00 176.91 178.58