#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxn s ASP 2 N 0.00 4.44 -0.04 0.00 -4.77 -1.26 -5.02 116.67 110.03 1qxn s ASP 2 Ca 0.00 -0.68 0.11 0.00 -3.30 0.00 0.00 52.55 48.68 1qxn s ASP 2 Cb 0.00 -0.79 0.39 0.00 -1.09 0.00 0.00 42.92 41.43 1qxn s ASP 2 CO 0.00 0.01 1.27 0.23 0.70 0.00 0.00 175.17 177.38 1qxn n MET 3 N -0.83 2.29 0.05 2.11 2.81 -1.26 -4.37 117.12 117.92 1qxn n MET 3 Ca -0.06 -1.55 0.18 0.00 -1.81 0.00 0.00 57.70 54.45 1qxn n MET 3 Cb 0.59 -1.49 0.68 0.00 -0.71 0.00 0.00 33.22 32.29 1qxn n MET 3 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1qxn h GLY 4 N 4.93 0.00 1.14 3.03 0.00 -2.01 -0.08 103.07 110.08 1qxn h GLY 4 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1qxn h GLY 4 CO 0.08 0.00 -0.29 -2.09 0.00 0.00 0.00 176.54 174.23 1qxn h GLU 5 N 0.00 0.97 0.56 4.80 4.81 -2.01 -2.94 114.58 120.77 1qxn h GLU 5 Ca 0.20 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1qxn h GLU 5 Cb 0.82 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.19 1qxn h GLU 5 CO -0.00 1.12 -0.27 0.87 -0.73 0.00 0.00 179.01 180.00 1qxn h LYS 6 N 0.81 -0.73 0.00 1.92 1.79 -1.34 -3.19 116.57 115.84 1qxn h LYS 6 Ca 0.09 0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1qxn h LYS 6 Cb 0.88 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1qxn h LYS 6 CO 0.08 -0.43 -0.22 0.27 -1.08 0.00 0.00 179.45 178.07 1qxn h PHE 7 N -1.10 0.00 -0.28 -1.35 -5.15 -1.65 -2.81 116.94 104.60 1qxn h PHE 7 Ca -0.08 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.75 1qxn h PHE 7 Cb 0.63 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.74 1qxn h PHE 7 CO 0.01 0.22 -0.12 0.22 -2.00 0.00 0.00 178.31 176.63 1qxn h ASP 8 N 0.00 -0.41 -0.46 -0.68 3.58 -1.55 0.45 116.42 117.36 1qxn h ASP 8 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1qxn h ASP 8 Cb 0.57 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1qxn h ASP 8 CO 0.03 -0.15 0.29 0.00 -2.88 0.00 0.00 179.24 176.53 1qxn h ALA 9 N 1.18 0.58 -0.17 -0.78 0.00 -1.49 -0.49 119.26 118.08 1qxn h ALA 9 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1qxn h ALA 9 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qxn h ALA 9 CO -0.33 0.05 0.04 1.15 0.00 0.00 0.00 179.25 180.16 1qxn h THR 10 N 0.61 1.21 -0.76 0.00 2.02 -1.31 -1.18 112.91 113.51 1qxn h THR 10 Ca 0.17 -0.68 0.06 0.00 0.77 0.00 0.00 66.41 66.73 1qxn h THR 10 Cb -0.04 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1qxn h THR 10 CO -0.03 0.21 0.46 0.15 0.37 0.00 0.00 175.52 176.67 1qxn h PHE 11 N 0.08 0.84 0.00 3.16 3.04 -0.00 0.69 116.94 124.75 1qxn h PHE 11 Ca 0.05 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1qxn h PHE 11 Cb 0.28 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1qxn h PHE 11 CO 0.01 0.42 -0.10 -0.22 -2.02 0.00 0.00 178.31 176.40 1qxn h LYS 12 N 0.84 0.00 -0.06 1.11 1.63 -0.88 -0.68 116.57 118.53 1qxn h LYS 12 Ca 0.33 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.99 1qxn h LYS 12 Cb 0.16 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1qxn h LYS 12 CO -0.17 0.10 -0.53 0.00 -3.45 0.00 0.00 179.45 175.40 1qxn h ALA 13 N 1.90 0.15 -0.01 5.00 0.00 0.38 -2.73 119.26 123.94 1qxn h ALA 13 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1qxn h ALA 13 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qxn h ALA 13 CO 0.01 0.36 -0.04 1.96 0.00 0.00 0.00 179.25 181.54 1qxn h GLN 14 N 0.02 0.05 -0.86 0.00 4.20 -1.06 -3.18 115.11 114.28 1qxn h GLN 14 Ca -0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1qxn h GLN 14 Cb 1.20 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.95 1qxn h GLN 14 CO 0.11 0.66 0.54 0.28 -0.67 0.00 0.00 178.83 179.75 1qxn h VAL 15 N -0.54 1.23 0.00 -0.54 2.07 -1.25 -2.44 116.25 114.77 1qxn h VAL 15 Ca -0.00 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1qxn h VAL 15 Cb 0.66 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1qxn h VAL 15 CO 0.01 0.24 -0.22 0.11 0.02 0.00 0.00 177.57 177.72 1qxn h LYS 16 N 1.18 0.00 0.00 1.57 1.57 -1.58 -2.41 116.57 116.90 1qxn h LYS 16 Ca 0.31 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1qxn h LYS 16 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1qxn h LYS 16 CO -0.06 0.22 -0.11 0.00 -0.57 0.00 0.00 179.45 178.93 1qxn h ALA 17 N 1.78 1.42 -0.11 3.86 0.00 -1.41 -2.62 119.26 122.18 1qxn h ALA 17 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1qxn h ALA 17 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qxn h ALA 17 CO 0.03 0.14 -0.20 0.00 0.00 0.00 0.00 179.25 179.22 1qxn h ALA 18 N 1.89 1.47 0.00 0.00 0.00 -1.49 -2.32 119.26 118.81 1qxn h ALA 18 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1qxn h ALA 18 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qxn h ALA 18 CO 0.01 0.38 -0.01 1.57 0.00 0.00 0.00 179.25 181.20 1qxn h LYS 19 N 0.17 0.00 0.00 0.00 2.10 -1.62 -3.14 116.57 114.07 1qxn h LYS 19 Ca 0.03 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.62 1qxn h LYS 19 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1qxn h LYS 19 CO 0.03 0.01 -0.27 0.00 -2.00 0.00 0.00 179.45 177.22 1qxn h ALA 20 N 1.99 0.91 -0.10 0.07 0.00 -1.50 -3.18 119.26 117.44 1qxn h ALA 20 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1qxn h ALA 20 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qxn h ALA 20 CO 0.00 0.34 0.00 -3.47 0.00 0.00 0.00 179.25 176.12 1qxn n ASP 21 N -3.29 0.97 -3.96 0.00 2.03 -1.19 -4.87 116.55 106.25 1qxn n ASP 21 Ca 0.01 -1.61 -0.09 0.00 0.52 0.00 0.00 54.79 53.62 1qxn n ASP 21 Cb 0.53 -0.06 -0.08 0.00 -0.72 0.00 0.00 41.12 40.79 1qxn n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qxn s MET 22 N -1.87 0.95 -0.37 -0.67 0.23 -1.20 -4.88 119.30 111.49 1qxn s MET 22 Ca 0.29 -1.13 -0.29 0.00 -1.03 0.00 0.00 55.69 53.53 1qxn s MET 22 Cb 0.15 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.79 1qxn s MET 22 CO 0.23 -0.31 1.25 0.08 -2.03 0.00 0.00 175.02 174.24 1qxn s VAL 23 N -3.93 4.16 -0.40 5.16 1.01 -1.01 -4.83 120.40 120.57 1qxn s VAL 23 Ca 0.13 1.27 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 1qxn s VAL 23 Cb 0.05 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1qxn s VAL 23 CO -0.05 -0.66 1.15 -0.04 0.00 0.00 0.00 175.10 175.50 1qxn s MET 24 N 4.32 3.86 0.05 2.72 -1.94 -1.26 -0.10 119.30 126.95 1qxn s MET 24 Ca 0.54 0.85 0.07 0.00 -1.71 0.00 0.00 55.69 55.44 1qxn s MET 24 Cb -0.13 -3.85 -0.03 0.00 2.01 0.00 0.00 34.83 32.84 1qxn s MET 24 CO 0.26 -1.19 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.37 1qxn s LEU 25 N 4.21 2.18 0.17 -0.03 1.43 0.84 -4.91 118.68 122.56 1qxn s LEU 25 Ca 0.49 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.82 1qxn s LEU 25 Cb -0.10 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.07 1qxn s LEU 25 CO 0.25 0.15 0.73 -0.44 0.23 0.00 0.00 176.35 177.27 1qxn s SER 26 N -1.24 7.24 0.63 2.29 0.01 -1.26 -1.33 113.70 120.04 1qxn s SER 26 Ca 0.07 1.52 0.24 0.00 1.31 0.00 0.00 55.95 59.10 1qxn s SER 26 Cb -0.09 -2.45 1.23 0.00 0.21 0.00 0.00 66.02 64.92 1qxn s SER 26 CO 0.02 0.16 1.68 1.55 0.41 0.00 0.00 173.24 177.07 1qxn h PRO 27 N 4.06 0.00 -0.08 12.44 0.13 -1.93 0.12 132.00 146.73 1qxn h PRO 27 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1qxn h PRO 27 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1qxn h PRO 27 CO 0.65 0.00 -0.47 0.87 -0.23 0.00 0.00 178.00 178.82 1qxn h LYS 28 N 0.00 0.47 -0.15 0.86 1.79 -1.96 0.11 116.57 117.69 1qxn h LYS 28 Ca 0.14 -0.39 -0.19 0.00 -2.18 0.00 0.00 60.65 58.03 1qxn h LYS 28 Cb 1.36 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1qxn h LYS 28 CO -0.00 1.03 -0.68 0.22 -1.08 0.00 0.00 179.45 178.93 1qxn h ASP 29 N 0.03 0.71 -0.26 0.86 3.58 -1.40 -2.71 116.42 117.23 1qxn h ASP 29 Ca -0.04 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 1qxn h ASP 29 Cb 1.12 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1qxn h ASP 29 CO 0.10 1.19 0.10 0.00 -2.88 0.00 0.00 179.24 177.75 1qxn h ALA 30 N 0.80 0.34 -0.56 -0.78 0.00 -0.87 -2.94 119.26 115.25 1qxn h ALA 30 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1qxn h ALA 30 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1qxn h ALA 30 CO 0.13 -0.06 0.20 -0.92 0.00 0.00 0.00 179.25 178.60 1qxn h TYR 31 N 0.26 0.88 -0.51 0.00 3.20 -0.77 -1.87 116.97 118.17 1qxn h TYR 31 Ca 0.09 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1qxn h TYR 31 Cb 0.20 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1qxn h TYR 31 CO -0.00 0.73 -0.02 1.57 -1.64 0.00 0.00 178.16 178.79 1qxn h LYS 32 N 0.78 0.91 0.00 1.82 2.10 -1.44 -1.81 116.57 118.93 1qxn h LYS 32 Ca 0.18 -0.30 -0.10 0.00 -2.00 0.00 0.00 60.65 58.44 1qxn h LYS 32 Cb 0.24 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1qxn h LYS 32 CO -0.01 0.95 -0.46 1.37 -2.00 0.00 0.00 179.45 179.30 1qxn h LEU 33 N 0.78 0.00 0.01 7.07 8.10 -1.53 -1.43 115.31 128.31 1qxn h LEU 33 Ca 0.14 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.14 1qxn h LEU 33 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1qxn h LEU 33 CO 0.03 0.46 -0.04 -0.07 -4.11 0.00 0.00 178.44 174.71 1qxn h LEU 34 N 0.00 -0.11 -0.19 0.17 3.38 -0.89 -0.92 115.31 116.75 1qxn h LEU 34 Ca -0.00 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1qxn h LEU 34 Cb 0.97 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1qxn h LEU 34 CO 0.06 -0.06 -0.94 1.56 0.09 0.00 0.00 178.44 179.15 1qxn h GLN 35 N -0.07 0.33 0.00 1.13 1.08 -1.26 -3.23 115.11 113.09 1qxn h GLN 35 Ca 0.01 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 56.82 1qxn h GLN 35 Cb 0.09 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1qxn h GLN 35 CO -0.03 1.06 -0.14 0.93 -0.95 0.00 0.00 178.83 179.69 1qxn h GLU 36 N 0.18 0.00 -6.42 1.46 5.08 -1.13 -3.44 114.58 110.31 1qxn h GLU 36 Ca -0.07 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.60 1qxn h GLU 36 Cb 1.58 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.58 1qxn h GLU 36 CO 0.16 0.14 -0.80 -0.80 -1.00 0.00 0.00 179.01 176.70 1qxn s ASN 37 N -6.03 3.75 0.00 1.42 0.01 -0.36 -5.00 114.94 108.74 1qxn s ASN 37 Ca 0.00 -0.28 0.28 0.00 -0.71 0.00 0.00 52.86 52.15 1qxn s ASN 37 Cb 0.10 -0.70 1.07 0.00 0.41 0.00 0.00 41.25 42.13 1qxn s ASN 37 CO 0.60 0.33 1.80 -0.81 -1.51 0.00 0.00 177.10 177.52 1qxn n PRO 38 N 2.30 0.07 -0.02 -0.60 -0.04 -1.26 -4.16 135.00 131.28 1qxn n PRO 38 Ca -0.17 -0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 1qxn n PRO 38 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1qxn n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qxn n ASP 39 N -1.45 0.55 -4.45 3.54 9.92 -1.26 -4.90 116.55 118.50 1qxn n ASP 39 Ca 0.08 0.30 -0.45 0.00 -0.53 0.00 0.00 54.79 54.19 1qxn n ASP 39 Cb 0.33 -0.60 -0.13 0.00 -0.64 0.00 0.00 41.12 40.08 1qxn n ASP 39 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1qxn n ILE 40 N -2.99 0.00 -3.99 0.53 5.41 -1.24 -4.69 119.36 112.40 1qxn n ILE 40 Ca -0.03 -0.07 -0.34 0.00 1.00 0.00 0.00 62.75 63.32 1qxn n ILE 40 Cb 0.10 -0.72 -0.06 0.00 -0.71 0.00 0.00 39.64 38.24 1qxn n ILE 40 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1qxn s THR 41 N 8.52 5.15 -0.20 1.39 2.01 -1.11 -4.66 115.64 126.74 1qxn s THR 41 Ca 1.29 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 62.99 1qxn s THR 41 Cb -1.21 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1qxn s THR 41 CO 0.51 0.37 0.07 -0.22 -0.69 0.00 0.00 174.62 174.66 1qxn s LEU 42 N -1.74 3.73 -0.31 4.42 2.96 0.30 -1.21 118.68 126.83 1qxn s LEU 42 Ca 0.24 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.08 1qxn s LEU 42 Cb -0.12 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1qxn s LEU 42 CO 0.15 0.12 0.12 -0.63 -1.32 0.00 0.00 176.35 174.78 1qxn s ILE 43 N 0.72 4.22 -0.15 6.68 1.01 0.87 -0.31 121.20 134.25 1qxn s ILE 43 Ca 0.04 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1qxn s ILE 43 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1qxn s ILE 43 CO 0.02 0.04 0.13 -0.62 0.00 0.00 0.00 174.94 174.51 1qxn s ASP 44 N 1.54 6.25 -0.46 3.58 2.15 -1.04 -0.43 116.67 128.26 1qxn s ASP 44 Ca 0.03 0.35 -0.01 0.00 0.43 0.00 0.00 52.55 53.35 1qxn s ASP 44 Cb -0.17 -2.05 0.12 0.00 -0.30 0.00 0.00 42.92 40.52 1qxn s ASP 44 CO 0.04 0.31 0.24 0.68 -0.17 0.00 0.00 175.17 176.28 1qxn s VAL 45 N -0.44 3.17 -0.03 1.11 -7.23 -1.06 -2.31 120.40 113.60 1qxn s VAL 45 Ca 0.12 -2.44 -0.05 0.00 -1.81 0.00 0.00 61.98 57.80 1qxn s VAL 45 Cb -0.12 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.67 1qxn s VAL 45 CO 0.02 -0.73 0.11 -0.60 -0.31 0.00 0.00 175.10 173.59 1qxn s ARG 46 N 0.68 0.22 0.30 4.82 6.06 -1.26 -4.72 118.95 125.05 1qxn s ARG 46 Ca 0.12 0.01 -0.29 0.00 -2.50 0.00 0.00 55.73 53.07 1qxn s ARG 46 Cb -0.22 0.10 -0.10 0.00 0.06 0.00 0.00 34.95 34.79 1qxn s ARG 46 CO -0.04 -0.04 1.16 -0.51 -2.50 0.00 0.00 175.30 173.37 1qxn s ASP 47 N -0.31 7.07 0.57 -2.12 1.01 -1.26 -4.81 116.67 116.82 1qxn s ASP 47 Ca -0.04 2.39 0.29 0.00 0.71 0.00 0.00 52.55 55.90 1qxn s ASP 47 Cb -0.03 -2.63 1.47 0.00 1.01 0.00 0.00 42.92 42.75 1qxn s ASP 47 CO 0.00 -0.29 1.92 1.55 0.21 0.00 0.00 175.17 178.56 1qxn h PRO 48 N 3.60 0.00 0.04 8.23 0.13 -1.99 0.08 132.00 142.09 1qxn h PRO 48 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 1qxn h PRO 48 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1qxn h PRO 48 CO 0.66 0.00 -1.07 0.22 -0.23 0.00 0.00 178.00 177.58 1qxn h ASP 49 N 0.00 0.14 -0.05 1.44 3.58 -2.00 -2.88 116.42 116.66 1qxn h ASP 49 Ca 0.25 -0.15 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 1qxn h ASP 49 Cb 1.21 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1qxn h ASP 49 CO -0.00 1.11 -0.53 -0.33 -2.88 0.00 0.00 179.24 176.61 1qxn h GLU 50 N 0.03 0.62 -0.38 0.28 4.39 -1.38 -2.07 114.58 116.06 1qxn h GLU 50 Ca -0.05 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 1qxn h GLU 50 Cb 1.83 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.50 1qxn h GLU 50 CO 0.15 1.00 0.21 1.25 -1.16 0.00 0.00 179.01 180.46 1qxn h LEU 51 N 0.48 0.45 -0.41 1.33 5.85 -1.32 0.14 115.31 121.84 1qxn h LEU 51 Ca 0.01 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1qxn h LEU 51 Cb 1.08 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1qxn h LEU 51 CO 0.10 0.36 -0.50 0.11 -0.34 0.00 0.00 178.44 178.17 1qxn h LYS 52 N 0.52 0.78 0.01 1.25 1.57 -1.24 -0.98 116.57 118.48 1qxn h LYS 52 Ca 0.14 -0.47 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1qxn h LYS 52 Cb 0.00 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1qxn h LYS 52 CO -0.02 1.10 -0.23 0.00 -0.57 0.00 0.00 179.45 179.72 1qxn h ALA 53 N 0.82 0.01 0.00 3.86 0.00 -0.55 -3.41 119.26 120.00 1qxn h ALA 53 Ca 0.03 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 1qxn h ALA 53 Cb 1.08 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1qxn h ALA 53 CO 0.11 0.07 -2.24 -1.33 0.00 0.00 0.00 179.25 175.86 1qxn n MET 54 N -4.52 0.90 0.00 0.00 2.81 0.38 -5.10 117.12 111.59 1qxn n MET 54 Ca -0.10 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1qxn n MET 54 Cb 0.51 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1qxn n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qxn n GLY 55 N 2.12 0.96 3.14 3.03 0.00 -0.37 -4.90 105.19 109.16 1qxn n GLY 55 Ca -0.33 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.24 1qxn n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qxn s LYS 56 N -1.04 0.73 0.27 1.61 0.00 -1.00 -4.53 119.74 115.79 1qxn s LYS 56 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 55.97 54.74 1qxn s LYS 56 Cb 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 37.83 37.12 1qxn s LYS 56 CO 0.00 0.12 1.54 -2.14 0.00 0.00 0.00 175.35 174.87 1qxn s PRO 57 N -1.88 4.18 -0.74 1.78 0.02 -1.26 0.80 135.00 137.89 1qxn s PRO 57 Ca -0.03 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 1qxn s PRO 57 Cb -0.09 -3.06 0.19 0.00 0.02 0.00 0.00 34.50 31.57 1qxn s PRO 57 CO 0.01 -0.56 0.68 0.34 -0.33 0.00 0.00 177.00 177.14 1qxn s ASP 58 N 0.47 6.49 0.12 2.53 2.15 -0.11 -4.77 116.67 123.56 1qxn s ASP 58 Ca 0.62 -2.51 0.03 0.00 0.43 0.00 0.00 52.55 51.13 1qxn s ASP 58 Cb -0.46 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1qxn s ASP 58 CO 0.46 -0.61 -0.09 0.68 -0.17 0.00 0.00 175.17 175.44 1qxn s VAL 59 N 0.46 0.93 0.24 1.11 -7.23 -1.26 -4.83 120.40 109.82 1qxn s VAL 59 Ca 0.15 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.32 1qxn s VAL 59 Cb -0.15 -1.70 0.22 0.00 0.56 0.00 0.00 36.38 35.31 1qxn s VAL 59 CO -0.06 -0.77 1.86 0.11 -0.31 0.00 0.00 175.10 175.93 1qxn h LYS 60 N 2.98 0.99 -3.10 4.82 1.57 -1.94 -3.32 116.57 118.58 1qxn h LYS 60 Ca -0.36 -0.06 -0.62 0.00 -1.87 0.00 0.00 60.65 57.74 1qxn h LYS 60 Cb 1.18 -0.22 -0.42 0.00 0.08 0.00 0.00 32.23 32.85 1qxn h LYS 60 CO 0.62 0.65 -0.61 -0.80 -0.57 0.00 0.00 179.45 178.75 1qxn s ASN 61 N -5.81 4.52 -0.13 0.86 0.01 -1.26 -5.06 114.94 108.07 1qxn s ASN 61 Ca -0.13 -3.62 0.03 0.00 -0.71 0.00 0.00 52.86 48.43 1qxn s ASN 61 Cb 0.19 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 40.30 1qxn s ASN 61 CO 0.79 -0.12 -0.22 -0.47 -1.51 0.00 0.00 177.10 175.57 1qxn s TYR 62 N -1.11 2.61 -0.16 2.20 5.04 -1.25 -0.54 117.35 124.15 1qxn s TYR 62 Ca 0.24 -1.27 0.01 0.00 -2.44 0.00 0.00 57.07 53.60 1qxn s TYR 62 Cb -0.09 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.47 1qxn s TYR 62 CO -0.13 -0.57 -0.17 0.15 -1.34 0.00 0.00 175.55 173.48 1qxn s LYS 63 N 0.74 2.67 -0.11 4.97 1.02 0.58 -4.94 119.74 124.66 1qxn s LYS 63 Ca -0.09 -0.71 -0.22 0.00 0.02 0.00 0.00 55.97 54.98 1qxn s LYS 63 Cb -0.16 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1qxn s LYS 63 CO 0.00 -0.20 0.64 -1.58 -0.92 0.00 0.00 175.35 173.29 1qxn s HIS 64 N 1.32 3.51 0.37 3.18 5.65 -1.26 -2.49 115.29 125.57 1qxn s HIS 64 Ca 0.04 1.10 0.04 0.00 0.25 0.00 0.00 55.06 56.48 1qxn s HIS 64 Cb -0.13 -2.75 -0.06 0.00 -1.18 0.00 0.00 32.58 28.46 1qxn s HIS 64 CO -0.11 0.04 0.06 -1.64 -0.65 0.00 0.00 174.74 172.44 1qxn s MET 65 N 1.06 1.79 0.40 2.88 -1.94 -0.98 -4.95 119.30 117.55 1qxn s MET 65 Ca 0.33 -2.03 0.06 0.00 -1.71 0.00 0.00 55.69 52.35 1qxn s MET 65 Cb -0.17 -0.99 0.06 0.00 2.01 0.00 0.00 34.83 35.75 1qxn s MET 65 CO 0.14 -0.23 0.53 0.43 -0.01 0.00 0.00 175.02 175.89 1qxn n SER 66 N -0.88 1.55 -0.05 3.03 7.64 -1.26 -4.21 113.62 119.44 1qxn n SER 66 Ca -0.05 -2.10 -0.04 0.00 1.01 0.00 0.00 58.87 57.69 1qxn n SER 66 Cb 0.66 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1qxn n SER 66 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1qxn n ARG 67 N -1.84 0.34 -0.14 1.43 0.00 -1.26 -3.25 116.66 111.94 1qxn n ARG 67 Ca 0.10 0.35 0.09 0.00 -0.00 0.00 0.00 57.85 58.40 1qxn n ARG 67 Cb 0.42 -1.34 0.28 0.00 -0.00 0.00 0.00 32.46 31.82 1qxn n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qxn n GLY 68 N 1.60 0.71 0.05 2.89 0.00 -1.26 -3.38 105.19 105.80 1qxn n GLY 68 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1qxn n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qxn n LYS 69 N 0.61 1.89 0.09 1.61 3.00 -1.26 -4.61 118.16 119.49 1qxn n LYS 69 Ca 0.16 -1.58 -0.04 0.00 -0.00 0.00 0.00 58.31 56.84 1qxn n LYS 69 Cb 0.37 -1.01 0.13 0.00 0.00 0.00 0.00 35.03 34.51 1qxn n LYS 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1qxn h LEU 70 N 0.00 0.22 -0.20 3.14 8.10 -1.56 -2.87 115.31 122.14 1qxn h LEU 70 Ca 0.00 -0.13 0.03 0.00 0.11 0.00 0.00 57.88 57.89 1qxn h LEU 70 Cb 0.77 -0.07 -0.06 0.00 -0.44 0.00 0.00 40.66 40.86 1qxn h LEU 70 CO 0.00 0.78 -0.44 -0.33 -4.11 0.00 0.00 178.44 174.34 1qxn h GLU 71 N 0.14 -0.38 0.00 0.17 5.08 -1.81 0.48 114.58 118.26 1qxn h GLU 71 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qxn h GLU 71 Cb 1.11 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1qxn h GLU 71 CO 0.09 -0.26 0.00 -1.35 -1.00 0.00 0.00 179.01 176.50 1qxn h PRO 72 N -0.40 0.00 0.00 2.33 0.11 -1.91 -3.30 132.00 128.82 1qxn h PRO 72 Ca 0.04 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.93 1qxn h PRO 72 Cb 0.51 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1qxn h PRO 72 CO -0.40 0.00 -1.52 1.28 -0.21 0.00 0.00 178.00 177.14 1qxn n LEU 73 N -2.67 0.88 0.18 2.35 7.99 -0.62 -3.51 117.00 121.60 1qxn n LEU 73 Ca 0.03 0.40 0.03 0.00 -0.01 0.00 0.00 56.01 56.46 1qxn n LEU 73 Cb 0.38 0.11 0.33 0.00 -0.11 0.00 0.00 43.42 44.12 1qxn n LEU 73 CO 0.28 0.24 0.67 0.25 -1.51 0.00 0.00 177.39 177.32 1qxn h LEU 74 N 0.00 0.00 -0.19 2.23 5.85 -0.16 -1.96 115.31 121.08 1qxn h LEU 74 Ca -0.21 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 1qxn h LEU 74 Cb 1.76 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1qxn h LEU 74 CO 0.06 0.42 -0.95 0.00 -0.34 0.00 0.00 178.44 177.63 1qxn h ALA 75 N 1.58 0.43 0.00 1.25 0.00 -1.72 -3.23 119.26 117.57 1qxn h ALA 75 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1qxn h ALA 75 Cb 0.80 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1qxn h ALA 75 CO 0.05 0.94 -0.13 0.87 0.00 0.00 0.00 179.25 180.98 1qxn h LYS 76 N 0.11 0.00 0.22 0.00 1.57 -1.40 -2.92 116.57 114.15 1qxn h LYS 76 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 1qxn h LYS 76 Cb 1.60 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.94 1qxn h LYS 76 CO 0.15 0.13 -1.37 0.66 -0.57 0.00 0.00 179.45 178.45 1qxn h SER 77 N 0.00 0.74 -0.72 0.86 4.64 -1.51 -3.49 113.55 114.08 1qxn h SER 77 Ca -0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1qxn h SER 77 Cb 0.24 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1qxn h SER 77 CO 0.02 1.66 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 1qxn n GLY 78 N 1.72 0.57 3.77 -0.77 0.00 -1.11 -5.07 105.19 104.31 1qxn n GLY 78 Ca -0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1qxn n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qxn s LEU 79 N -0.72 4.32 -0.08 0.99 1.43 -1.25 -5.06 118.68 118.31 1qxn s LEU 79 Ca 0.00 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 1qxn s LEU 79 Cb 0.00 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 1qxn s LEU 79 CO 0.00 -0.29 -0.14 -0.62 0.23 0.00 0.00 176.35 175.53 1qxn s ASP 80 N -1.34 4.01 0.00 2.29 2.15 -1.26 -5.01 116.67 117.51 1qxn s ASP 80 Ca 0.52 -0.25 0.14 0.00 0.43 0.00 0.00 52.55 53.38 1qxn s ASP 80 Cb -0.25 -1.14 0.82 0.00 -0.30 0.00 0.00 42.92 42.05 1qxn s ASP 80 CO 0.32 0.28 1.24 -2.65 -0.17 0.00 0.00 175.17 174.18 1qxn n PRO 81 N 2.78 0.48 0.00 4.34 -0.02 -1.26 -2.00 135.00 139.32 1qxn n PRO 81 Ca -0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.41 1qxn n PRO 81 Cb 0.52 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.50 1qxn n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1qxn n GLU 82 N -0.95 0.67 -2.84 -0.52 1.02 -1.26 -1.35 120.64 115.40 1qxn n GLU 82 Ca 0.10 -0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 56.27 1qxn n GLU 82 Cb 0.05 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 1qxn n GLU 82 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qxn s LYS 83 N -2.71 4.11 -0.35 3.49 -0.14 -0.85 -4.76 119.74 118.53 1qxn s LYS 83 Ca 0.14 0.90 -0.28 0.00 -1.36 0.00 0.00 55.97 55.37 1qxn s LYS 83 Cb 0.17 -3.68 -0.02 0.00 -1.68 0.00 0.00 37.83 32.62 1qxn s LYS 83 CO 0.70 -0.63 1.82 -2.14 -0.76 0.00 0.00 175.35 174.35 1qxn s PRO 84 N 3.03 3.25 0.18 -1.68 0.02 -1.26 -4.65 135.00 133.89 1qxn s PRO 84 Ca 0.37 1.38 0.09 0.00 0.02 0.00 0.00 61.00 62.86 1qxn s PRO 84 Cb -0.14 -4.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.11 1qxn s PRO 84 CO 0.10 -1.96 -0.10 0.14 -0.33 0.00 0.00 177.00 174.85 1qxn s VAL 85 N 7.19 3.15 0.02 3.83 -7.23 0.16 -2.74 120.40 124.77 1qxn s VAL 85 Ca 0.80 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.38 1qxn s VAL 85 Cb -0.22 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1qxn s VAL 85 CO 0.32 -0.10 -0.21 0.54 -0.31 0.00 0.00 175.10 175.34 1qxn s VAL 86 N -1.67 1.70 -0.19 1.32 0.11 -0.35 -0.56 120.40 120.76 1qxn s VAL 86 Ca 0.24 -1.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 1qxn s VAL 86 Cb -0.09 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.29 1qxn s VAL 86 CO 0.15 0.34 -0.01 0.68 -3.33 0.00 0.00 175.10 172.93 1qxn s VAL 87 N -0.66 3.97 -0.23 2.04 -7.23 0.12 -0.09 120.40 118.32 1qxn s VAL 87 Ca 0.08 -0.31 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 1qxn s VAL 87 Cb -0.09 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1qxn s VAL 87 CO 0.01 0.44 0.14 0.12 -0.31 0.00 0.00 175.10 175.50 1qxn s PHE 88 N 0.82 3.31 0.00 2.82 5.36 0.43 -1.07 117.98 129.66 1qxn s PHE 88 Ca 0.00 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1qxn s PHE 88 Cb -0.14 -2.22 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 1qxn s PHE 88 CO 0.02 0.09 0.00 0.00 -1.46 0.00 0.00 175.22 173.87 1qxn n LYS 90 N 0.50 0.70 0.00 0.00 2.85 0.55 -0.11 118.16 122.65 1qxn n LYS 90 Ca 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1qxn n LYS 90 Cb 0.00 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1qxn n LYS 90 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1qxn n THR 91 N -2.95 0.00 0.31 0.58 -1.04 -0.94 -2.99 114.28 107.25 1qxn n THR 91 Ca -0.38 0.14 -0.17 0.00 -2.04 0.00 0.00 64.05 61.60 1qxn n THR 91 Cb 1.08 -0.39 -0.08 0.00 -1.82 0.00 0.00 70.33 69.12 1qxn n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qxn h ALA 92 N -2.00 -0.81 0.00 2.41 0.00 -1.88 -3.31 119.26 113.68 1qxn h ALA 92 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qxn h ALA 92 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qxn h ALA 92 CO 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 179.25 178.24 1qxn h ALA 93 N -0.38 0.00 -3.69 0.00 0.00 -1.82 -3.49 119.26 109.88 1qxn h ALA 93 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qxn h ALA 93 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qxn h ALA 93 CO 0.08 -0.06 -0.01 -2.13 0.00 0.00 0.00 179.25 177.13 1qxn n ARG 94 N -4.67 -0.40 0.00 0.00 0.63 -0.95 -4.92 116.66 106.35 1qxn n ARG 94 Ca -0.10 0.80 0.07 0.00 -0.92 0.00 0.00 57.85 57.71 1qxn n ARG 94 Cb 0.42 -2.74 0.39 0.00 0.45 0.00 0.00 32.46 30.98 1qxn n ARG 94 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1qxn n ALA 95 N -1.18 1.93 0.07 5.13 0.00 0.84 -3.60 120.51 123.71 1qxn n ALA 95 Ca 0.00 -0.08 0.17 0.00 0.00 0.00 0.00 53.44 53.54 1qxn n ALA 95 Cb 0.48 -1.23 0.69 0.00 0.00 0.00 0.00 19.45 19.39 1qxn n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qxn h ALA 96 N 2.79 2.33 -0.14 0.00 0.00 -1.90 -0.32 119.26 122.04 1qxn h ALA 96 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1qxn h ALA 96 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qxn h ALA 96 CO 0.00 -0.49 -0.55 -0.07 0.00 0.00 0.00 179.25 178.14 1qxn h LEU 97 N 0.00 0.45 -0.09 0.00 -0.00 -1.95 -0.48 115.31 113.24 1qxn h LEU 97 Ca 0.18 -0.24 -0.22 0.00 -0.00 0.00 0.00 57.88 57.61 1qxn h LEU 97 Cb 0.76 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1qxn h LEU 97 CO -0.00 0.90 -0.80 0.00 -0.00 0.00 0.00 178.44 178.54 1qxn h ALA 98 N 1.10 0.22 0.00 1.53 0.00 -1.37 -3.28 119.26 117.47 1qxn h ALA 98 Ca 0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1qxn h ALA 98 Cb 1.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1qxn h ALA 98 CO 0.09 0.61 -0.15 0.78 0.00 0.00 0.00 179.25 180.59 1qxn h GLY 99 N 0.39 0.00 1.67 0.00 0.00 -1.31 -3.27 103.07 100.55 1qxn h GLY 99 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1qxn h GLY 99 CO 0.16 0.00 0.12 0.07 0.00 0.00 0.00 176.54 176.90 1qxn h LYS 100 N -1.00 0.43 -0.18 4.80 2.10 -1.26 -1.62 116.57 119.84 1qxn h LYS 100 Ca -0.03 -0.05 -0.17 0.00 -2.00 0.00 0.00 60.65 58.40 1qxn h LYS 100 Cb 0.73 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1qxn h LYS 100 CO -0.02 0.36 -0.58 1.15 -2.00 0.00 0.00 179.45 178.36 1qxn h THR 101 N 0.43 1.32 -0.22 0.07 2.02 -1.73 -2.89 112.91 111.92 1qxn h THR 101 Ca 0.11 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.36 1qxn h THR 101 Cb 0.09 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1qxn h THR 101 CO -0.01 0.57 -0.23 -0.07 0.37 0.00 0.00 175.52 176.15 1qxn h LEU 102 N 0.43 0.59 -1.48 2.58 3.38 -1.44 -2.84 115.31 116.53 1qxn h LEU 102 Ca 0.00 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1qxn h LEU 102 Cb 1.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1qxn h LEU 102 CO 0.11 0.95 -0.13 0.08 0.09 0.00 0.00 178.44 179.54 1qxn h ARG 103 N 0.24 0.18 0.00 1.13 0.11 -1.36 0.01 114.38 114.68 1qxn h ARG 103 Ca 0.03 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qxn h ARG 103 Cb 0.79 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1qxn h ARG 103 CO 0.06 0.32 0.00 0.39 0.10 0.00 0.00 179.97 180.83 1qxn n GLU 104 N -4.30 0.43 -0.00 0.08 1.02 -1.09 -2.60 120.64 114.18 1qxn n GLU 104 Ca -0.01 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1qxn n GLU 104 Cb 0.25 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 1qxn n GLU 104 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1qxn n TYR 105 N -1.26 0.00 0.00 -0.32 4.01 -0.05 -4.95 117.16 114.58 1qxn n TYR 105 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1qxn n TYR 105 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1qxn n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qxn n GLY 106 N 1.42 -0.51 3.75 2.72 0.00 -0.96 -5.10 105.19 106.51 1qxn n GLY 106 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1qxn n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qxn s PHE 107 N -0.48 3.13 0.00 1.61 0.40 -0.94 -4.69 117.98 117.01 1qxn s PHE 107 Ca 0.00 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 1qxn s PHE 107 Cb 0.00 -3.68 0.00 0.00 0.51 0.00 0.00 43.02 39.85 1qxn s PHE 107 CO 0.00 -2.03 0.29 1.63 0.70 0.00 0.00 175.22 175.81 1qxn n LYS 108 N 1.83 0.00 -3.86 0.44 4.01 -0.46 -4.61 118.16 115.51 1qxn n LYS 108 Ca 0.04 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.48 1qxn n LYS 108 Cb 0.42 -0.77 -0.13 0.00 -0.51 0.00 0.00 35.03 34.04 1qxn n LYS 108 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1qxn s THR 109 N -0.57 3.36 -0.13 -0.18 2.01 -1.26 -5.04 115.64 113.82 1qxn s THR 109 Ca 0.00 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1qxn s THR 109 Cb 0.00 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1qxn s THR 109 CO 0.00 0.06 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.31 1qxn s ILE 110 N 1.38 2.52 0.02 1.82 2.07 -1.26 -0.67 121.20 127.09 1qxn s ILE 110 Ca -0.00 -0.84 0.05 0.00 -1.41 0.00 0.00 60.65 58.45 1qxn s ILE 110 Cb -0.18 -2.03 -0.03 0.00 0.13 0.00 0.00 42.46 40.35 1qxn s ILE 110 CO -0.01 0.53 -0.10 -0.31 -1.91 0.00 0.00 174.94 173.14 1qxn s TYR 111 N 0.58 2.77 -0.09 3.50 1.51 0.28 -2.39 117.35 123.51 1qxn s TYR 111 Ca -0.11 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1qxn s TYR 111 Cb -0.16 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1qxn s TYR 111 CO 0.04 0.34 -0.10 1.21 -1.11 0.00 0.00 175.55 175.93 1qxn s ASN 112 N -1.49 4.37 -0.30 2.29 3.84 0.85 0.11 114.94 124.61 1qxn s ASN 112 Ca 0.17 -0.14 -0.19 0.00 0.21 0.00 0.00 52.86 52.90 1qxn s ASN 112 Cb -0.11 -1.25 -0.01 0.00 -0.55 0.00 0.00 41.25 39.33 1qxn s ASN 112 CO 0.07 0.29 0.57 -0.44 -2.79 0.00 0.00 177.10 174.80 1qxn s SER 113 N -0.40 6.43 -0.03 -4.21 0.01 -0.23 -0.11 113.70 115.16 1qxn s SER 113 Ca 0.05 0.35 -0.33 0.00 1.31 0.00 0.00 55.95 57.33 1qxn s SER 113 Cb -0.12 -2.30 -0.12 0.00 0.21 0.00 0.00 66.02 63.69 1qxn s SER 113 CO 0.02 -0.42 1.85 -0.62 0.41 0.00 0.00 173.24 174.49 1qxn n GLU 114 N 5.75 2.29 0.00 12.44 1.02 -0.44 -3.33 120.64 138.37 1qxn n GLU 114 Ca -0.03 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1qxn n GLU 114 Cb 0.49 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 1qxn n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qxn n GLY 115 N 4.29 1.46 0.00 0.62 0.00 -1.26 -4.55 105.19 105.76 1qxn n GLY 115 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1qxn n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxn n GLY 116 N 0.00 -0.43 0.43 -0.02 0.00 -1.26 -0.33 105.19 103.58 1qxn n GLY 116 Ca 0.00 -0.98 0.24 0.00 0.00 0.00 0.00 46.02 45.28 1qxn n GLY 116 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qxn h MET 117 N 0.00 0.26 -0.97 1.61 4.05 -1.94 0.12 114.93 118.06 1qxn h MET 117 Ca 0.00 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1qxn h MET 117 Cb 0.00 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.68 1qxn h MET 117 CO 0.00 0.17 0.63 0.22 0.23 0.00 0.00 176.91 178.17 1qxn h ASP 118 N 0.27 1.05 0.54 1.39 3.58 -1.98 -2.07 116.42 119.19 1qxn h ASP 118 Ca 0.50 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.78 1qxn h ASP 118 Cb 1.48 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1qxn h ASP 118 CO -0.15 0.71 -0.73 0.11 -2.88 0.00 0.00 179.24 176.31 1qxn h LYS 119 N 1.22 0.15 0.36 0.28 6.56 -1.11 -1.36 116.57 122.67 1qxn h LYS 119 Ca 0.39 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.84 1qxn h LYS 119 Cb 0.03 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1qxn h LYS 119 CO -0.13 0.81 -0.19 2.35 -2.06 0.00 0.00 179.45 180.22 1qxn h TRP 120 N 0.10 -0.50 -0.60 -1.35 2.91 -1.05 0.38 115.95 115.83 1qxn h TRP 120 Ca -0.02 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 1qxn h TRP 120 Cb 1.28 0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 30.08 1qxn h TRP 120 CO 0.02 -0.31 0.07 -0.07 -1.03 0.00 0.00 178.44 177.12 1qxn h LEU 121 N -0.52 0.96 -0.32 0.65 3.38 -1.49 -1.25 115.31 116.72 1qxn h LEU 121 Ca -0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1qxn h LEU 121 Cb 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qxn h LEU 121 CO 0.06 0.98 -0.00 -0.08 0.09 0.00 0.00 178.44 179.49 1qxn h GLU 122 N 0.94 0.57 -0.96 1.13 4.81 -0.89 -3.08 114.58 117.09 1qxn h GLU 122 Ca 0.18 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qxn h GLU 122 Cb 0.45 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1qxn h GLU 122 CO 0.02 0.70 0.00 0.39 -0.73 0.00 0.00 179.01 179.39 1qxn n GLU 123 N -4.54 1.35 -1.85 1.92 -0.58 0.13 -4.82 120.64 112.25 1qxn n GLU 123 Ca -0.02 -0.28 -0.15 0.00 -0.42 0.00 0.00 57.16 56.28 1qxn n GLU 123 Cb 0.26 -1.57 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1qxn n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qxn n GLY 124 N 0.06 0.68 3.85 0.62 0.00 -1.16 -4.99 105.19 104.24 1qxn n GLY 124 Ca 0.03 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1qxn n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qxn s LEU 125 N -3.86 3.89 -0.07 0.99 1.43 -0.48 -4.99 118.68 115.59 1qxn s LEU 125 Ca 0.00 1.39 -0.30 0.00 -1.03 0.00 0.00 54.13 54.20 1qxn s LEU 125 Cb 0.00 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 1qxn s LEU 125 CO 0.00 -0.36 1.72 -2.16 0.23 0.00 0.00 176.35 175.78 1qxn s PRO 126 N -3.46 4.06 0.12 1.29 0.04 -1.26 -4.59 135.00 131.20 1qxn s PRO 126 Ca 0.56 2.16 0.10 0.00 0.04 0.00 0.00 61.00 63.86 1qxn s PRO 126 Cb -0.10 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 1qxn s PRO 126 CO 0.23 -1.00 -0.25 -1.12 0.04 0.00 0.00 177.00 174.90 1qxn s SER 127 N 3.89 3.04 -0.23 6.66 0.01 -1.26 -0.93 113.70 124.89 1qxn s SER 127 Ca 0.77 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 57.22 1qxn s SER 127 Cb -0.33 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1qxn s SER 127 CO 0.32 0.14 0.11 -0.76 0.41 0.00 0.00 173.24 173.46 1qxn s LEU 128 N -1.98 3.85 0.09 2.44 1.43 0.24 -4.82 118.68 119.92 1qxn s LEU 128 Ca 0.11 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1qxn s LEU 128 Cb -0.10 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1qxn s LEU 128 CO 0.05 0.06 -0.16 -0.62 0.23 0.00 0.00 176.35 175.92 1qxn s ASP 129 N 1.04 1.94 0.11 2.29 2.15 -1.26 -2.37 116.67 120.58 1qxn s ASP 129 Ca 0.06 -0.66 0.07 0.00 0.43 0.00 0.00 52.55 52.44 1qxn s ASP 129 Cb -0.14 -0.07 -0.21 0.00 -0.30 0.00 0.00 42.92 42.19 1qxn s ASP 129 CO 0.04 -0.05 1.25 0.03 -0.17 0.00 0.00 175.17 176.27 1qxn h ARG 130 N 4.11 0.01 -7.09 4.34 3.08 -1.95 -3.44 114.38 113.45 1qxn h ARG 130 Ca -0.42 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.10 1qxn h ARG 130 Cb 1.19 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.34 1qxn h ARG 130 CO 0.42 0.99 0.46 -1.12 -1.07 0.00 0.00 179.97 179.65 1qxn s SER 131 N -6.70 5.45 -1.60 7.04 0.01 -1.26 -2.40 113.70 114.23 1qxn s SER 131 Ca 0.01 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.58 1qxn s SER 131 Cb 0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1qxn s SER 131 CO 0.82 -1.41 0.00 1.57 0.41 0.00 0.00 173.24 174.63 1qxn n HIS 132 N -1.40 -0.22 -1.99 2.43 -0.00 -1.26 -4.80 115.22 107.99 1qxn n HIS 132 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1qxn n HIS 132 Cb 0.50 -2.93 0.00 0.00 -0.00 0.00 0.00 29.99 27.56 1qxn n HIS 132 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1qxn n HIS 133 N -2.96 0.00 -2.53 1.57 -0.00 -1.01 -4.85 115.22 105.44 1qxn n HIS 133 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.53 1qxn n HIS 133 Cb 0.56 -0.03 0.05 0.00 -0.00 0.00 0.00 29.99 30.57 1qxn n HIS 133 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1qxn n HIS 134 N 0.00 1.00 -2.07 4.41 -0.00 -1.25 -4.92 115.22 112.38 1qxn n HIS 134 Ca 0.00 -1.63 -0.40 0.00 -0.00 0.00 0.00 57.72 55.69 1qxn n HIS 134 Cb 0.69 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1qxn n HIS 134 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1qxn n HIS 135 N -0.34 2.63 -3.61 1.57 -0.00 -1.26 -4.84 115.22 109.37 1qxn n HIS 135 Ca 0.13 -2.80 -0.02 0.00 0.46 0.00 0.00 57.72 55.49 1qxn n HIS 135 Cb 0.92 -1.80 -0.01 0.00 -0.12 0.00 0.00 29.99 28.97 1qxn n HIS 135 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1qxn s HIS 136 N -1.20 -0.09 -2.69 1.57 -3.43 -1.26 -5.23 115.29 102.96 1qxn s HIS 136 Ca 0.52 0.02 0.26 0.00 -0.80 0.00 0.00 55.06 55.06 1qxn s HIS 136 Cb 0.17 0.53 0.72 0.00 -1.43 0.00 0.00 32.58 32.57 1qxn s HIS 136 CO -0.08 -0.24 1.56 1.58 -2.00 0.00 0.00 174.74 175.55