#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqw s ALA 2 N 0.00 2.42 -0.25 3.55 0.00 -1.26 -5.02 121.76 121.20 1kqw s ALA 2 Ca 0.00 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1kqw s ALA 2 Cb 0.00 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1kqw s ALA 2 CO 0.00 -1.43 -0.06 0.34 0.00 0.00 0.00 175.76 174.61 1kqw s ASP 3 N -1.59 4.06 0.00 0.00 -1.08 -1.26 -4.97 116.67 111.83 1kqw s ASP 3 Ca 0.79 -1.30 0.28 0.00 -0.52 0.00 0.00 52.55 51.79 1kqw s ASP 3 Cb -0.33 -1.29 1.03 0.00 -1.46 0.00 0.00 42.92 40.87 1kqw s ASP 3 CO 0.37 -0.24 1.74 0.49 0.52 0.00 0.00 175.17 178.06 1kqw n PHE 4 N 4.59 0.00 -1.62 -5.34 3.72 -1.26 -4.90 117.46 112.65 1kqw n PHE 4 Ca -0.11 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.79 1kqw n PHE 4 Cb 0.43 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 1kqw n PHE 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kqw n ASN 5 N -1.02 2.10 0.00 4.37 4.13 -1.26 -4.64 115.26 118.95 1kqw n ASN 5 Ca 0.12 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.49 1kqw n ASN 5 Cb 0.31 -1.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1kqw n ASN 5 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kqw n GLY 6 N 2.70 0.34 3.41 7.41 0.00 -0.49 -4.98 105.19 113.57 1kqw n GLY 6 Ca 0.17 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1kqw n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kqw s THR 7 N -2.02 3.27 -0.10 2.61 2.01 -1.09 -1.03 115.64 119.29 1kqw s THR 7 Ca 0.00 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1kqw s THR 7 Cb 0.00 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1kqw s THR 7 CO 0.00 0.52 -0.10 0.26 -0.69 0.00 0.00 174.62 174.61 1kqw s TRP 8 N 0.33 1.53 -0.18 4.92 0.52 0.53 -0.42 118.94 126.17 1kqw s TRP 8 Ca -0.09 -0.71 -0.08 0.00 0.02 0.00 0.00 56.10 55.24 1kqw s TRP 8 Cb -0.15 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1kqw s TRP 8 CO 0.05 -0.44 0.09 -1.21 0.02 0.00 0.00 176.95 175.46 1kqw s GLU 9 N 1.29 3.97 0.22 4.98 2.02 -0.20 -0.38 118.70 130.60 1kqw s GLU 9 Ca -0.02 -0.28 -0.31 0.00 0.02 0.00 0.00 54.97 54.38 1kqw s GLU 9 Cb -0.14 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 30.71 1kqw s GLU 9 CO -0.04 0.35 1.57 1.41 0.02 0.00 0.00 175.26 178.57 1kqw s MET 10 N 0.19 4.19 -0.25 1.61 -2.45 -0.39 -0.26 119.30 121.94 1kqw s MET 10 Ca 0.06 2.44 0.01 0.00 -1.25 0.00 0.00 55.69 56.96 1kqw s MET 10 Cb -0.12 -3.10 -0.16 0.00 1.25 0.00 0.00 34.83 32.70 1kqw s MET 10 CO -0.00 -0.60 -0.22 1.28 1.05 0.00 0.00 175.02 176.53 1kqw n LEU 11 N 3.21 2.94 -3.87 4.11 4.77 0.86 -4.83 117.00 124.18 1kqw n LEU 11 Ca 0.11 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1kqw n LEU 11 Cb 0.38 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1kqw n LEU 11 CO 0.62 0.90 -0.12 -0.94 -1.33 0.00 0.00 177.39 176.52 1kqw s SER 12 N -6.41 0.11 -0.28 -1.43 1.04 -0.97 -4.98 113.70 100.77 1kqw s SER 12 Ca -0.33 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1kqw s SER 12 Cb 0.09 0.30 0.17 0.00 0.10 0.00 0.00 66.02 66.68 1kqw s SER 12 CO 0.56 -0.62 0.49 0.21 0.98 0.00 0.00 173.24 174.86 1kqw s ASN 13 N -2.45 -0.55 -0.07 7.02 2.47 -1.26 -1.88 114.94 118.22 1kqw s ASN 13 Ca -0.00 0.12 0.05 0.00 0.42 0.00 0.00 52.86 53.45 1kqw s ASN 13 Cb 0.02 1.57 -0.01 0.00 -1.45 0.00 0.00 41.25 41.38 1kqw s ASN 13 CO -0.07 -0.31 -0.22 -1.81 -3.72 0.00 0.00 177.10 170.97 1kqw s ASP 14 N 2.69 3.31 -1.46 -4.21 -0.00 -0.29 -4.65 116.67 112.05 1kqw s ASP 14 Ca 0.12 -0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.22 1kqw s ASP 14 Cb -0.13 -1.01 0.00 0.00 -0.00 0.00 0.00 42.92 41.78 1kqw s ASP 14 CO -0.25 0.24 0.00 0.59 -0.00 0.00 0.00 175.17 175.75 1kqw n ASN 15 N 3.02 -4.66 -0.29 0.27 4.13 -1.26 -1.77 115.26 114.70 1kqw n ASN 15 Ca -0.18 0.30 -0.01 0.00 1.68 0.00 0.00 54.58 56.38 1kqw n ASN 15 Cb 0.52 -3.45 0.11 0.00 -1.54 0.00 0.00 39.78 35.43 1kqw n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1kqw h PHE 16 N 0.00 0.93 -0.71 3.10 3.57 -1.87 -2.33 116.94 119.62 1kqw h PHE 16 Ca -0.29 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 1kqw h PHE 16 Cb 0.96 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1kqw h PHE 16 CO 0.39 0.50 0.40 0.93 -2.23 0.00 0.00 178.31 178.31 1kqw h GLU 17 N 0.94 0.98 -0.75 1.11 5.08 -1.93 0.86 114.58 120.86 1kqw h GLU 17 Ca 0.34 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1kqw h GLU 17 Cb 0.10 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1kqw h GLU 17 CO -0.15 0.71 0.46 -0.44 -1.00 0.00 0.00 179.01 178.59 1kqw h ASP 18 N 0.99 0.73 -0.15 1.42 3.32 -1.81 0.54 116.42 121.47 1kqw h ASP 18 Ca 0.25 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 1kqw h ASP 18 Cb 0.00 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.42 1kqw h ASP 18 CO -0.04 0.49 -0.75 0.58 -1.72 0.00 0.00 179.24 177.80 1kqw h VAL 19 N 0.87 1.29 -0.78 -1.35 2.07 -1.15 -2.05 116.25 115.15 1kqw h VAL 19 Ca 0.32 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1kqw h VAL 19 Cb 0.10 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1kqw h VAL 19 CO -0.14 0.62 0.46 0.24 0.02 0.00 0.00 177.57 178.76 1kqw h MET 20 N 0.50 1.06 -0.80 1.57 2.86 -0.56 -1.18 114.93 118.37 1kqw h MET 20 Ca -0.05 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1kqw h MET 20 Cb 1.38 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1kqw h MET 20 CO 0.15 0.76 0.35 -0.22 1.06 0.00 0.00 176.91 179.02 1kqw h LYS 21 N 1.07 1.18 0.00 1.72 3.64 -0.87 -1.54 116.57 121.77 1kqw h LYS 21 Ca 0.28 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1kqw h LYS 21 Cb -0.02 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1kqw h LYS 21 CO -0.05 0.93 -0.06 0.00 -2.27 0.00 0.00 179.45 178.00 1kqw h ALA 22 N 1.19 1.73 -0.05 5.00 0.00 -0.64 -0.64 119.26 125.85 1kqw h ALA 22 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kqw h ALA 22 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kqw h ALA 22 CO -0.03 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1kqw n LEU 23 N -4.22 0.77 -0.83 0.00 4.77 -0.51 -4.91 117.00 112.06 1kqw n LEU 23 Ca -0.03 -0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1kqw n LEU 23 Cb 0.15 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1kqw n LEU 23 CO 0.33 0.15 -0.10 0.47 -1.33 0.00 0.00 177.39 176.90 1kqw n ASP 24 N -0.32 -4.32 -4.71 -1.43 8.00 -0.25 -4.84 116.55 108.68 1kqw n ASP 24 Ca 0.17 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.52 1kqw n ASP 24 Cb 0.20 -2.78 -0.03 0.00 -0.02 0.00 0.00 41.12 38.49 1kqw n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kqw s ILE 25 N -2.40 3.17 0.74 0.53 1.01 -0.67 -4.96 121.20 118.62 1kqw s ILE 25 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 1kqw s ILE 25 Cb 0.00 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.99 1kqw s ILE 25 CO 0.00 0.05 1.10 1.51 0.00 0.00 0.00 174.94 177.60 1kqw s ASP 26 N 1.27 4.65 0.21 3.58 -4.77 -1.26 -4.51 116.67 115.84 1kqw s ASP 26 Ca 0.66 1.88 -0.09 0.00 -3.30 0.00 0.00 52.55 51.71 1kqw s ASP 26 Cb -0.38 -2.53 0.29 0.00 -1.09 0.00 0.00 42.92 39.21 1kqw s ASP 26 CO 0.30 -1.94 1.76 0.15 0.70 0.00 0.00 175.17 176.14 1kqw h PHE 27 N -0.80 0.50 -0.68 2.11 3.57 -1.99 -0.97 116.94 118.68 1kqw h PHE 27 Ca -0.44 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1kqw h PHE 27 Cb 1.24 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 1kqw h PHE 27 CO 0.57 0.16 0.41 0.00 -2.23 0.00 0.00 178.31 177.22 1kqw h ALA 28 N 1.41 0.90 -0.44 2.41 0.00 -2.00 -0.31 119.26 121.23 1kqw h ALA 28 Ca 0.32 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1kqw h ALA 28 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1kqw h ALA 28 CO -0.28 0.15 -0.18 1.15 0.00 0.00 0.00 179.25 180.09 1kqw h THR 29 N 0.79 1.27 -0.72 0.00 2.02 -1.71 -2.47 112.91 112.09 1kqw h THR 29 Ca 0.28 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 1kqw h THR 29 Cb 0.07 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1kqw h THR 29 CO -0.13 0.44 0.35 0.03 0.37 0.00 0.00 175.52 176.58 1kqw h ARG 30 N 0.75 1.03 -0.84 6.66 3.08 -0.40 -0.91 114.38 123.75 1kqw h ARG 30 Ca 0.11 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1kqw h ARG 30 Cb 0.71 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1kqw h ARG 30 CO 0.05 0.80 0.53 0.87 -1.07 0.00 0.00 179.97 181.15 1kqw h LYS 31 N 1.00 1.13 0.04 0.04 1.79 -0.91 0.57 116.57 120.23 1kqw h LYS 31 Ca 0.25 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1kqw h LYS 31 Cb 0.11 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1kqw h LYS 31 CO -0.03 0.78 -0.02 0.82 -1.08 0.00 0.00 179.45 179.92 1kqw h ILE 32 N 1.15 1.12 -0.50 1.86 1.08 -1.06 -3.33 117.51 117.83 1kqw h ILE 32 Ca 0.30 -0.50 -0.10 0.00 -0.39 0.00 0.00 64.86 64.18 1kqw h ILE 32 Cb -0.07 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1kqw h ILE 32 CO -0.06 0.13 -0.06 0.00 -0.69 0.00 0.00 178.15 177.46 1kqw h ALA 33 N 0.69 0.68 0.00 1.87 0.00 -0.88 -3.03 119.26 118.59 1kqw h ALA 33 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1kqw h ALA 33 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kqw h ALA 33 CO 0.01 0.55 -0.05 -0.24 0.00 0.00 0.00 179.25 179.52 1kqw h VAL 34 N 0.78 0.29 -0.49 0.00 3.04 -1.00 -1.59 116.25 117.28 1kqw h VAL 34 Ca 0.13 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1kqw h VAL 34 Cb 0.61 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1kqw h VAL 34 CO 0.04 0.05 0.00 1.41 -1.01 0.00 0.00 177.57 178.06 1kqw n HIS 35 N -3.39 0.65 -4.03 3.17 -0.00 -1.15 -4.91 115.22 105.57 1kqw n HIS 35 Ca -0.02 -0.32 -0.36 0.00 -0.00 0.00 0.00 57.72 57.02 1kqw n HIS 35 Cb 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 1kqw n HIS 35 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1kqw s LEU 36 N -1.07 4.09 0.60 2.41 1.43 -0.60 -5.08 118.68 120.47 1kqw s LEU 36 Ca 0.35 0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1kqw s LEU 36 Cb 0.18 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1kqw s LEU 36 CO 0.24 0.37 1.15 -0.54 0.23 0.00 0.00 176.35 177.80 1kqw s LYS 37 N -0.79 3.01 0.13 1.70 -0.14 -1.26 -5.06 119.74 117.33 1kqw s LYS 37 Ca 0.13 1.61 0.08 0.00 -1.36 0.00 0.00 55.97 56.43 1kqw s LYS 37 Cb -0.12 -1.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.04 1kqw s LYS 37 CO 0.03 -1.12 -0.20 -0.65 -0.76 0.00 0.00 175.35 172.65 1kqw s GLN 38 N -3.58 1.20 -0.05 1.68 -0.21 -1.26 -4.55 119.66 112.90 1kqw s GLN 38 Ca 0.72 -1.29 0.06 0.00 0.02 0.00 0.00 55.36 54.87 1kqw s GLN 38 Cb -0.25 -1.37 -0.01 0.00 1.00 0.00 0.00 33.01 32.38 1kqw s GLN 38 CO 0.34 0.30 -0.23 0.99 -2.12 0.00 0.00 175.29 174.57 1kqw s THR 39 N -1.60 1.90 -0.17 -0.19 2.01 -0.07 -1.27 115.64 116.25 1kqw s THR 39 Ca 0.11 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1kqw s THR 39 Cb -0.08 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1kqw s THR 39 CO 0.05 0.53 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.95 1kqw s LYS 40 N -0.20 3.64 -0.20 4.92 3.01 0.48 -0.18 119.74 131.22 1kqw s LYS 40 Ca -0.01 -0.53 -0.01 0.00 -1.01 0.00 0.00 55.97 54.41 1kqw s LYS 40 Cb -0.12 -2.95 0.01 0.00 -1.01 0.00 0.00 37.83 33.75 1kqw s LYS 40 CO 0.03 0.17 -0.12 0.08 0.51 0.00 0.00 175.35 176.01 1kqw s VAL 41 N 0.56 2.72 -0.06 3.17 1.01 0.40 -0.35 120.40 127.84 1kqw s VAL 41 Ca -0.03 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1kqw s VAL 41 Cb -0.14 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1kqw s VAL 41 CO 0.03 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1kqw s ILE 42 N 1.38 1.22 -0.18 2.22 1.01 -0.20 -0.74 121.20 125.90 1kqw s ILE 42 Ca 0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1kqw s ILE 42 Cb -0.14 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1kqw s ILE 42 CO -0.08 0.37 -0.13 -0.69 0.00 0.00 0.00 174.94 174.41 1kqw s VAL 43 N 0.52 2.75 -0.09 2.92 1.01 0.22 -1.40 120.40 126.33 1kqw s VAL 43 Ca -0.13 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1kqw s VAL 43 Cb -0.15 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1kqw s VAL 43 CO 0.04 0.49 -0.19 -1.58 0.00 0.00 0.00 175.10 173.86 1kqw s GLN 44 N 1.14 2.53 -0.49 2.72 0.74 -1.26 -0.96 119.66 124.08 1kqw s GLN 44 Ca 0.01 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 54.76 1kqw s GLN 44 Cb -0.14 -1.98 0.14 0.00 1.10 0.00 0.00 33.01 32.13 1kqw s GLN 44 CO -0.05 0.10 0.30 -0.80 -0.55 0.00 0.00 175.29 174.29 1kqw s ASN 45 N 0.54 3.70 1.91 6.67 -0.87 0.10 -4.84 114.94 122.15 1kqw s ASN 45 Ca -0.16 -2.95 0.00 0.00 -1.57 0.00 0.00 52.86 48.19 1kqw s ASN 45 Cb -0.17 -1.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.91 1kqw s ASN 45 CO 0.06 -0.22 0.00 0.61 -2.57 0.00 0.00 177.10 174.98 1kqw n GLY 46 N 3.13 2.55 0.45 0.66 0.00 -1.26 -1.36 105.19 109.36 1kqw n GLY 46 Ca 0.12 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.52 1kqw n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kqw n ASP 47 N 10.63 1.49 -4.70 1.61 8.00 -1.26 -4.86 116.55 127.46 1kqw n ASP 47 Ca 0.00 -1.38 -0.37 0.00 0.71 0.00 0.00 54.79 53.76 1kqw n ASP 47 Cb 0.00 0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 1kqw n ASP 47 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1kqw s LYS 48 N -2.14 4.20 -0.06 -1.24 2.20 -0.46 -1.20 119.74 121.04 1kqw s LYS 48 Ca 0.33 0.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1kqw s LYS 48 Cb 0.20 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1kqw s LYS 48 CO 0.39 0.14 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.32 1kqw s PHE 49 N 0.78 1.52 -0.21 4.03 0.08 0.47 -0.72 117.98 123.93 1kqw s PHE 49 Ca 0.15 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1kqw s PHE 49 Cb -0.13 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1kqw s PHE 49 CO 0.05 -0.26 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.56 1kqw s GLU 50 N 0.54 2.83 0.04 0.44 2.02 -0.13 -0.69 118.70 123.74 1kqw s GLU 50 Ca -0.13 -0.96 0.05 0.00 0.02 0.00 0.00 54.97 53.96 1kqw s GLU 50 Cb -0.15 -2.76 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1kqw s GLU 50 CO 0.04 -0.33 -0.15 0.95 0.02 0.00 0.00 175.26 175.79 1kqw s THR 51 N 1.27 1.18 -0.02 3.63 -4.23 -0.62 -0.61 115.64 116.24 1kqw s THR 51 Ca 0.01 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1kqw s THR 51 Cb -0.15 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1kqw s THR 51 CO -0.09 0.05 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.42 1kqw s LYS 52 N -1.09 0.76 -0.24 3.99 1.02 0.08 -1.03 119.74 123.22 1kqw s LYS 52 Ca 0.03 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1kqw s LYS 52 Cb -0.08 -0.73 0.03 0.00 -0.52 0.00 0.00 37.83 36.53 1kqw s LYS 52 CO 0.01 0.12 -0.08 0.99 -0.92 0.00 0.00 175.35 175.47 1kqw s THR 53 N 0.06 2.68 -0.05 2.17 2.01 0.12 -0.46 115.64 122.17 1kqw s THR 53 Ca -0.01 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.91 1kqw s THR 53 Cb -0.06 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1kqw s THR 53 CO -0.00 0.20 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.25 1kqw s LEU 54 N 1.29 2.85 0.21 4.42 1.43 0.74 -0.11 118.68 129.51 1kqw s LEU 54 Ca -0.01 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1kqw s LEU 54 Cb -0.17 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1kqw s LEU 54 CO -0.06 0.35 0.50 -0.94 0.23 0.00 0.00 176.35 176.44 1kqw s SER 55 N -0.75 -0.20 0.55 2.29 1.04 -1.18 -0.89 113.70 114.55 1kqw s SER 55 Ca 0.12 -0.60 0.33 0.00 0.48 0.00 0.00 55.95 56.27 1kqw s SER 55 Cb -0.11 0.57 1.39 0.00 0.10 0.00 0.00 66.02 67.97 1kqw s SER 55 CO 0.01 -1.07 1.99 0.71 0.98 0.00 0.00 173.24 175.86 1kqw h THR 56 N 2.23 0.07 0.00 2.02 1.35 -1.98 -3.36 112.91 113.25 1kqw h THR 56 Ca -0.28 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1kqw h THR 56 Cb 1.26 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1kqw h THR 56 CO 0.37 0.03 -0.01 0.15 -0.25 0.00 0.00 175.52 175.81 1kqw h PHE 57 N 0.00 0.00 -3.74 4.73 3.57 -1.96 -3.49 116.94 116.05 1kqw h PHE 57 Ca -0.00 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 1kqw h PHE 57 Cb 0.50 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.06 1kqw h PHE 57 CO 0.00 0.00 -0.73 1.03 -2.23 0.00 0.00 178.31 176.38 1kqw s ARG 58 N -1.04 0.84 0.16 1.11 0.52 -1.26 -5.17 118.95 114.10 1kqw s ARG 58 Ca -0.00 -1.15 0.09 0.00 -0.52 0.00 0.00 55.73 54.14 1kqw s ARG 58 Cb 0.00 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 1kqw s ARG 58 CO 0.00 0.08 -0.11 -0.80 0.02 0.00 0.00 175.30 174.49 1kqw s ASN 59 N -2.44 4.21 -0.01 0.23 0.01 -1.26 -3.12 114.94 112.55 1kqw s ASN 59 Ca 0.05 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1kqw s ASN 59 Cb -0.03 -0.71 0.02 0.00 0.41 0.00 0.00 41.25 40.94 1kqw s ASN 59 CO -0.00 0.13 0.01 -0.47 -1.51 0.00 0.00 177.10 175.26 1kqw s TYR 60 N -1.54 0.10 -0.08 2.20 5.04 0.85 -4.96 117.35 118.96 1kqw s TYR 60 Ca 0.23 0.05 0.05 0.00 -2.44 0.00 0.00 57.07 54.96 1kqw s TYR 60 Cb -0.09 -0.20 -0.00 0.00 0.35 0.00 0.00 41.96 42.01 1kqw s TYR 60 CO 0.14 -0.06 -0.24 -2.00 -1.34 0.00 0.00 175.55 172.04 1kqw s GLU 61 N 0.67 2.83 -0.07 4.97 2.12 -1.26 0.11 118.70 128.07 1kqw s GLU 61 Ca -0.06 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 54.36 1kqw s GLU 61 Cb -0.09 -2.23 0.04 0.00 0.26 0.00 0.00 34.13 32.12 1kqw s GLU 61 CO -0.02 0.26 0.15 0.54 -0.54 0.00 0.00 175.26 175.65 1kqw s VAL 62 N 0.15 -0.08 -0.06 3.70 0.11 -0.20 -5.01 120.40 119.01 1kqw s VAL 62 Ca -0.13 0.20 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1kqw s VAL 62 Cb -0.16 -0.26 -0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1kqw s VAL 62 CO 0.07 0.08 -0.21 0.20 -3.33 0.00 0.00 175.10 171.91 1kqw s ASN 63 N 1.34 2.61 0.12 3.54 0.01 -1.26 -1.59 114.94 119.71 1kqw s ASN 63 Ca -0.07 -0.44 -0.18 0.00 -0.71 0.00 0.00 52.86 51.46 1kqw s ASN 63 Cb -0.12 -0.82 0.04 0.00 0.41 0.00 0.00 41.25 40.77 1kqw s ASN 63 CO -0.06 0.18 0.44 0.72 -1.51 0.00 0.00 177.10 176.87 1kqw s PHE 64 N 0.04 -0.27 -0.06 2.20 -0.12 0.13 -5.01 117.98 114.89 1kqw s PHE 64 Ca -0.06 0.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.86 1kqw s PHE 64 Cb -0.14 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1kqw s PHE 64 CO 0.04 -0.71 -0.13 0.08 -0.05 0.00 0.00 175.22 174.45 1kqw s VAL 65 N -3.63 3.17 0.22 -2.49 1.01 -1.26 -0.39 120.40 117.02 1kqw s VAL 65 Ca 0.02 -0.68 -0.32 0.00 0.00 0.00 0.00 61.98 61.00 1kqw s VAL 65 Cb 0.01 -2.26 -0.13 0.00 0.00 0.00 0.00 36.38 34.00 1kqw s VAL 65 CO -0.11 0.59 1.46 -0.38 0.00 0.00 0.00 175.10 176.66 1kqw n ILE 66 N 2.38 0.71 -0.68 2.22 2.08 -0.34 -1.68 119.36 124.06 1kqw n ILE 66 Ca -0.17 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 62.96 1kqw n ILE 66 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 1kqw n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1kqw n GLY 67 N 2.47 1.35 3.25 7.39 0.00 0.12 -4.99 105.19 114.77 1kqw n GLY 67 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1kqw n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kqw s GLU 68 N -0.11 2.54 0.41 1.61 2.12 -0.67 -4.99 118.70 119.60 1kqw s GLU 68 Ca 0.00 -1.34 -0.25 0.00 0.36 0.00 0.00 54.97 53.75 1kqw s GLU 68 Cb 0.00 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.75 1kqw s GLU 68 CO 0.00 -0.80 1.14 -2.00 -0.54 0.00 0.00 175.26 173.06 1kqw s GLU 69 N 1.37 4.03 0.11 4.30 2.12 -1.26 -4.60 118.70 124.77 1kqw s GLU 69 Ca 0.01 1.75 -0.12 0.00 0.36 0.00 0.00 54.97 56.97 1kqw s GLU 69 Cb -0.21 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.60 1kqw s GLU 69 CO 0.02 -0.32 0.28 -0.59 -0.54 0.00 0.00 175.26 174.11 1kqw s PHE 70 N -1.49 0.01 -0.23 5.30 -0.71 -0.64 -4.96 117.98 115.26 1kqw s PHE 70 Ca 0.58 -0.39 -0.25 0.00 -1.04 0.00 0.00 56.93 55.84 1kqw s PHE 70 Cb -0.28 0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.60 1kqw s PHE 70 CO 0.35 -0.62 0.84 -0.51 -1.34 0.00 0.00 175.22 173.94 1kqw s ASP 71 N -2.84 6.87 -0.16 1.98 1.11 -1.26 -0.67 116.67 121.70 1kqw s ASP 71 Ca 0.05 1.08 -0.05 0.00 0.18 0.00 0.00 52.55 53.80 1kqw s ASP 71 Cb 0.03 -2.44 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 1kqw s ASP 71 CO -0.11 -0.50 0.01 -0.70 1.18 0.00 0.00 175.17 175.05 1kqw s GLU 72 N 2.74 3.71 -0.33 8.23 2.12 0.10 -4.96 118.70 130.31 1kqw s GLU 72 Ca 0.36 -0.43 -0.07 0.00 0.36 0.00 0.00 54.97 55.19 1kqw s GLU 72 Cb -0.15 -3.02 0.03 0.00 0.26 0.00 0.00 34.13 31.24 1kqw s GLU 72 CO 0.08 0.32 0.11 -1.14 -0.54 0.00 0.00 175.26 174.09 1kqw s GLN 73 N 0.18 2.84 -0.19 4.30 2.00 -1.26 -0.46 119.66 127.07 1kqw s GLN 73 Ca 0.01 -1.03 -0.05 0.00 -2.00 0.00 0.00 55.36 52.29 1kqw s GLN 73 Cb -0.13 -3.46 -0.11 0.00 0.80 0.00 0.00 33.01 30.11 1kqw s GLN 73 CO 0.02 -0.58 3.16 0.25 -0.50 0.00 0.00 175.29 177.64 1kqw n THR 74 N 4.86 3.07 -1.70 -0.34 -2.24 0.50 -4.92 114.28 113.51 1kqw n THR 74 Ca -0.13 -2.05 -0.43 0.00 -2.27 0.00 0.00 64.05 59.17 1kqw n THR 74 Cb 0.46 -1.79 -0.03 0.00 -2.10 0.00 0.00 70.33 66.87 1kqw n THR 74 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kqw n LYS 75 N 1.74 2.42 -0.17 -0.78 4.81 -1.26 -0.37 118.16 124.55 1kqw n LYS 75 Ca 0.43 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.74 1kqw n LYS 75 Cb 0.74 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1kqw n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kqw n GLY 76 N 2.73 1.67 0.00 3.14 0.00 -1.26 -4.84 105.19 106.63 1kqw n GLY 76 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1kqw n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kqw n LEU 77 N 0.00 0.00 -0.36 0.99 4.32 -0.25 -4.92 117.00 116.78 1kqw n LEU 77 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.08 1kqw n LEU 77 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1kqw n LEU 77 CO 0.00 0.00 0.23 -0.90 -1.22 0.00 0.00 177.39 175.50 1kqw n ASP 78 N 0.00 1.66 -3.68 -1.43 5.75 -1.18 -4.92 116.55 112.74 1kqw n ASP 78 Ca 0.00 -1.33 -0.21 0.00 -0.01 0.00 0.00 54.79 53.24 1kqw n ASP 78 Cb 0.00 0.55 0.04 0.00 -1.03 0.00 0.00 41.12 40.67 1kqw n ASP 78 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1kqw n ASN 79 N -0.27 -1.32 -4.73 -1.12 5.15 0.51 -4.97 115.26 108.51 1kqw n ASN 79 Ca 0.07 -0.81 -0.25 0.00 -0.60 0.00 0.00 54.58 52.99 1kqw n ASN 79 Cb 0.37 -4.11 -0.06 0.00 -0.53 0.00 0.00 39.78 35.45 1kqw n ASN 79 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1kqw s ARG 80 N -5.93 2.63 -0.16 1.20 0.52 -1.26 -4.80 118.95 111.16 1kqw s ARG 80 Ca 0.01 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 53.95 1kqw s ARG 80 Cb -0.00 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1kqw s ARG 80 CO 0.81 0.43 0.44 0.99 0.02 0.00 0.00 175.30 177.98 1kqw s THR 81 N -1.96 5.19 0.15 0.02 2.01 -1.26 -0.37 115.64 119.42 1kqw s THR 81 Ca 0.30 0.83 0.05 0.00 0.31 0.00 0.00 61.69 63.19 1kqw s THR 81 Cb -0.08 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1kqw s THR 81 CO 0.22 0.29 -0.11 0.68 -0.69 0.00 0.00 174.62 175.01 1kqw s VAL 82 N 0.94 1.23 -0.39 3.82 -7.23 0.39 -4.68 120.40 114.48 1kqw s VAL 82 Ca 0.23 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 1kqw s VAL 82 Cb -0.15 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1kqw s VAL 82 CO 0.09 -0.67 0.39 -0.54 -0.31 0.00 0.00 175.10 174.06 1kqw s LYS 83 N -3.51 3.27 -0.11 4.82 -0.14 -0.06 -0.72 119.74 123.30 1kqw s LYS 83 Ca 0.15 -0.65 -0.02 0.00 -1.36 0.00 0.00 55.97 54.09 1kqw s LYS 83 Cb 0.01 -3.90 -0.03 0.00 -1.68 0.00 0.00 37.83 32.22 1kqw s LYS 83 CO 0.01 -0.71 -0.04 0.99 -0.76 0.00 0.00 175.35 174.85 1kqw s THR 84 N 2.04 3.96 -0.04 2.17 2.01 0.15 -0.24 115.64 125.69 1kqw s THR 84 Ca 0.11 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1kqw s THR 84 Cb -0.17 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.69 1kqw s THR 84 CO 0.12 0.56 0.05 -0.22 -0.69 0.00 0.00 174.62 174.44 1kqw s LEU 85 N -0.40 0.32 -0.12 4.42 2.96 -0.56 -1.61 118.68 123.69 1kqw s LEU 85 Ca 0.07 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1kqw s LEU 85 Cb -0.12 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.37 1kqw s LEU 85 CO 0.02 -0.23 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.02 1kqw s VAL 86 N 2.00 3.22 0.21 1.68 1.01 -1.26 -1.38 120.40 125.88 1kqw s VAL 86 Ca 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1kqw s VAL 86 Cb -0.12 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1kqw s VAL 86 CO -0.03 0.54 0.02 -0.54 0.00 0.00 0.00 175.10 175.08 1kqw s LYS 87 N 0.09 1.26 0.36 2.72 1.02 -0.40 -0.71 119.74 124.08 1kqw s LYS 87 Ca -0.05 -1.63 -0.20 0.00 0.02 0.00 0.00 55.97 54.11 1kqw s LYS 87 Cb -0.14 -0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 36.65 1kqw s LYS 87 CO 0.04 -0.14 0.87 -1.58 -0.92 0.00 0.00 175.35 173.62 1kqw s TRP 88 N -3.57 3.42 -0.44 3.18 0.52 -1.26 -0.73 118.94 120.06 1kqw s TRP 88 Ca 0.28 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.94 1kqw s TRP 88 Cb 0.06 -2.76 0.14 0.00 -1.15 0.00 0.00 33.47 29.76 1kqw s TRP 88 CO 0.08 0.04 0.25 0.34 0.02 0.00 0.00 176.95 177.67 1kqw s ASP 89 N -2.06 3.57 1.94 2.95 -1.08 0.28 -4.85 116.67 117.41 1kqw s ASP 89 Ca 0.56 -2.67 0.00 0.00 -0.52 0.00 0.00 52.55 49.92 1kqw s ASP 89 Cb -0.12 -1.00 0.00 0.00 -1.46 0.00 0.00 42.92 40.34 1kqw s ASP 89 CO 0.17 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.21 1kqw n GLY 90 N 3.48 4.14 0.95 2.66 0.00 -1.26 -0.96 105.19 114.19 1kqw n GLY 90 Ca 0.10 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1kqw n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kqw n ASP 91 N 8.37 2.83 -4.87 1.61 8.00 -1.26 -4.94 116.55 126.28 1kqw n ASP 91 Ca 0.00 -1.91 -0.29 0.00 0.71 0.00 0.00 54.79 53.30 1kqw n ASP 91 Cb 0.00 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 1kqw n ASP 91 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1kqw s LYS 92 N -1.53 3.20 -0.12 -1.24 1.02 -0.14 -4.65 119.74 116.28 1kqw s LYS 92 Ca 0.36 -0.61 -0.14 0.00 0.02 0.00 0.00 55.97 55.61 1kqw s LYS 92 Cb 0.20 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1kqw s LYS 92 CO 0.29 0.56 0.32 -0.51 -0.92 0.00 0.00 175.35 175.08 1kqw s LEU 93 N -2.73 4.31 -0.14 3.17 1.43 0.69 -0.56 118.68 124.85 1kqw s LEU 93 Ca 0.33 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1kqw s LEU 93 Cb -0.12 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.71 1kqw s LEU 93 CO 0.26 0.16 -0.13 -0.69 0.23 0.00 0.00 176.35 176.18 1kqw s VAL 94 N 0.03 1.47 -0.12 -1.59 1.01 0.10 -0.82 120.40 120.48 1kqw s VAL 94 Ca 0.19 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1kqw s VAL 94 Cb -0.14 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1kqw s VAL 94 CO 0.06 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 1kqw s VAL 96 N 0.13 3.71 -0.42 0.00 1.01 -0.48 -1.44 120.40 122.92 1kqw s VAL 96 Ca -0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1kqw s VAL 96 Cb -0.15 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 33.74 1kqw s VAL 96 CO 0.04 0.50 0.20 -1.10 0.00 0.00 0.00 175.10 174.75 1kqw s GLN 97 N 0.30 1.95 0.04 2.72 -0.21 -0.07 -1.49 119.66 122.90 1kqw s GLN 97 Ca -0.05 -1.92 -0.30 0.00 0.02 0.00 0.00 55.36 53.10 1kqw s GLN 97 Cb -0.14 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 1kqw s GLN 97 CO 0.04 -1.06 1.05 0.15 -2.12 0.00 0.00 175.29 173.35 1kqw s LYS 98 N 0.94 4.54 0.00 2.91 -0.14 0.67 -4.43 119.74 124.22 1kqw s LYS 98 Ca 0.10 1.55 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 1kqw s LYS 98 Cb -0.22 -3.41 0.00 0.00 -1.68 0.00 0.00 37.83 32.52 1kqw s LYS 98 CO -0.05 -0.08 0.00 0.41 -0.76 0.00 0.00 175.35 174.87 1kqw n GLY 99 N 2.88 -0.65 0.23 -3.33 0.00 -1.26 -0.88 105.19 102.18 1kqw n GLY 99 Ca 0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 1kqw n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1kqw h GLU 100 N 0.00 0.76 -6.56 1.61 4.57 -1.92 -3.42 114.58 109.62 1kqw h GLU 100 Ca 0.00 -0.06 -0.52 0.00 -1.18 0.00 0.00 59.36 57.61 1kqw h GLU 100 Cb 0.00 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1kqw h GLU 100 CO 0.00 0.53 0.30 0.15 -1.18 0.00 0.00 179.01 178.81 1kqw s LYS 101 N -6.07 4.68 0.41 1.92 -0.14 -1.26 -5.04 119.74 114.25 1kqw s LYS 101 Ca -0.13 1.36 -0.21 0.00 -1.36 0.00 0.00 55.97 55.63 1kqw s LYS 101 Cb 0.13 -3.34 -0.11 0.00 -1.68 0.00 0.00 37.83 32.83 1kqw s LYS 101 CO 0.75 0.33 0.92 -1.21 -0.76 0.00 0.00 175.35 175.39 1kqw s GLU 102 N -0.40 4.22 -1.36 1.68 2.02 -1.26 -4.23 118.70 119.37 1kqw s GLU 102 Ca 0.43 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.49 1kqw s GLU 102 Cb -0.23 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.75 1kqw s GLU 102 CO 0.29 0.01 0.58 -1.71 0.02 0.00 0.00 175.26 174.45 1kqw n ASN 103 N -0.53 -0.91 -4.67 -0.19 4.05 -1.26 -0.88 115.26 110.87 1kqw n ASN 103 Ca 0.06 -0.91 -0.35 0.00 0.45 0.00 0.00 54.58 53.84 1kqw n ASN 103 Cb 0.54 -3.58 -0.09 0.00 1.23 0.00 0.00 39.78 37.88 1kqw n ASN 103 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1kqw s ARG 104 N -6.27 3.79 0.00 1.20 3.52 -1.26 -3.10 118.95 116.83 1kqw s ARG 104 Ca 0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1kqw s ARG 104 Cb -0.02 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1kqw s ARG 104 CO 0.85 0.39 0.00 0.41 -0.81 0.00 0.00 175.30 176.14 1kqw n GLY 105 N 3.16 -0.69 3.66 8.12 0.00 -0.46 -0.90 105.19 118.09 1kqw n GLY 105 Ca -0.17 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1kqw n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1kqw s TRP 106 N -3.00 -0.30 -0.01 1.61 1.48 -0.52 -1.19 118.94 117.01 1kqw s TRP 106 Ca 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 56.10 54.98 1kqw s TRP 106 Cb 0.00 0.62 0.02 0.00 -1.16 0.00 0.00 33.47 32.94 1kqw s TRP 106 CO 0.00 -1.06 0.01 0.21 -4.06 0.00 0.00 176.95 172.05 1kqw s LYS 107 N -3.86 0.01 -0.01 3.25 2.20 0.22 -0.23 119.74 121.33 1kqw s LYS 107 Ca 0.07 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1kqw s LYS 107 Cb -0.04 -0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1kqw s LYS 107 CO -0.01 -0.09 -0.06 -1.14 -0.36 0.00 0.00 175.35 173.70 1kqw s GLN 108 N 0.57 0.51 0.23 4.03 0.74 -0.00 -0.62 119.66 125.12 1kqw s GLN 108 Ca -0.05 -0.20 -0.20 0.00 0.05 0.00 0.00 55.36 54.96 1kqw s GLN 108 Cb -0.07 -0.50 0.03 0.00 1.10 0.00 0.00 33.01 33.57 1kqw s GLN 108 CO -0.02 0.11 0.63 1.67 -0.55 0.00 0.00 175.29 177.13 1kqw s TRP 109 N -0.04 -0.19 -0.09 1.67 -2.14 -0.38 -0.22 118.94 117.56 1kqw s TRP 109 Ca 0.01 -0.19 0.01 0.00 2.66 0.00 0.00 56.10 58.59 1kqw s TRP 109 Cb -0.03 0.56 -0.02 0.00 -3.10 0.00 0.00 33.47 30.87 1kqw s TRP 109 CO -0.00 -1.07 -0.11 0.42 -2.66 0.00 0.00 176.95 173.53 1kqw s ILE 110 N -3.89 3.28 -0.25 0.66 1.01 -1.26 -0.25 121.20 120.51 1kqw s ILE 110 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1kqw s ILE 110 Cb -0.03 -2.35 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1kqw s ILE 110 CO 0.01 0.56 -0.11 -1.61 0.00 0.00 0.00 174.94 173.79 1kqw s GLU 111 N -0.23 2.23 7.67 2.79 2.02 -0.17 -4.99 118.70 128.02 1kqw s GLU 111 Ca 0.02 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1kqw s GLU 111 Cb -0.13 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1kqw s GLU 111 CO 0.03 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1kqw n GLY 112 N 4.49 3.11 1.62 -1.39 0.00 -1.26 -1.02 105.19 110.74 1kqw n GLY 112 Ca -0.14 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1kqw n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kqw n ASP 113 N 7.27 4.94 -4.46 1.61 5.75 -1.26 -4.94 116.55 125.46 1kqw n ASP 113 Ca 0.00 -3.05 -0.34 0.00 -0.01 0.00 0.00 54.79 51.39 1kqw n ASP 113 Cb 0.00 -0.66 -0.13 0.00 -1.03 0.00 0.00 41.12 39.30 1kqw n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1kqw s LEU 114 N -2.86 3.12 -0.13 -2.12 1.43 -0.19 -2.30 118.68 115.63 1kqw s LEU 114 Ca 0.51 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 1kqw s LEU 114 Cb 0.40 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1kqw s LEU 114 CO 0.13 0.15 0.52 -0.22 0.23 0.00 0.00 176.35 177.16 1kqw s LEU 115 N 0.44 4.25 -0.08 1.79 2.96 0.08 -1.00 118.68 127.12 1kqw s LEU 115 Ca -0.05 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 54.70 1kqw s LEU 115 Cb -0.15 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 1kqw s LEU 115 CO 0.03 -0.06 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.95 1kqw s HIS 116 N 0.90 3.00 -0.07 5.38 3.76 0.66 -0.30 115.29 128.61 1kqw s HIS 116 Ca 0.27 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.19 1kqw s HIS 116 Cb -0.16 -1.76 0.03 0.00 1.11 0.00 0.00 32.58 31.81 1kqw s HIS 116 CO 0.11 0.32 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.14 1kqw s LEU 117 N -0.69 0.72 -0.24 0.89 2.96 -0.31 -1.24 118.68 120.76 1kqw s LEU 117 Ca 0.11 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 1kqw s LEU 117 Cb -0.11 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 1kqw s LEU 117 CO 0.02 -0.17 0.11 -0.70 -1.32 0.00 0.00 176.35 174.29 1kqw s GLU 118 N 1.86 3.87 -0.12 1.98 2.12 0.21 -0.61 118.70 128.00 1kqw s GLU 118 Ca 0.04 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.00 1kqw s GLU 118 Cb -0.12 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1kqw s GLU 118 CO -0.05 -0.05 -0.15 0.42 -0.54 0.00 0.00 175.26 174.89 1kqw s ILE 119 N 1.31 2.90 0.04 -3.70 1.01 0.35 -0.61 121.20 122.50 1kqw s ILE 119 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1kqw s ILE 119 Cb -0.15 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1kqw s ILE 119 CO 0.05 0.53 -0.10 -1.38 0.00 0.00 0.00 174.94 174.04 1kqw s HIS 120 N 0.32 0.91 -0.15 3.97 -3.43 -0.34 -0.22 115.29 116.35 1kqw s HIS 120 Ca -0.12 -0.36 -0.09 0.00 -0.80 0.00 0.00 55.06 53.68 1kqw s HIS 120 Cb -0.16 -0.54 0.05 0.00 -1.43 0.00 0.00 32.58 30.50 1kqw s HIS 120 CO 0.06 -0.01 0.36 0.00 -2.00 0.00 0.00 174.74 173.16 1kqw n GLN 122 N 3.85 0.00 -0.81 0.00 6.02 -0.06 -0.96 117.38 125.41 1kqw n GLN 122 Ca -0.21 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.86 1kqw n GLN 122 Cb 0.55 0.00 0.38 0.00 1.02 0.00 0.00 30.24 32.20 1kqw n GLN 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1kqw n ASP 123 N 3.60 5.38 -4.66 1.08 3.85 -1.26 -4.82 116.55 119.72 1kqw n ASP 123 Ca 0.00 -2.80 -0.31 0.00 -0.71 0.00 0.00 54.79 50.97 1kqw n ASP 123 Cb 0.00 -0.66 -0.09 0.00 -1.35 0.00 0.00 41.12 39.02 1kqw n ASP 123 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1kqw s LYS 124 N -2.51 2.55 -0.02 0.11 -0.14 -0.14 -5.12 119.74 114.47 1kqw s LYS 124 Ca 0.52 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 1kqw s LYS 124 Cb 0.38 -2.53 0.03 0.00 -1.68 0.00 0.00 37.83 34.03 1kqw s LYS 124 CO 0.17 0.56 0.03 0.08 -0.76 0.00 0.00 175.35 175.43 1kqw s VAL 125 N -1.20 -0.04 -0.11 3.17 1.01 -1.26 -1.98 120.40 119.99 1kqw s VAL 125 Ca 0.22 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1kqw s VAL 125 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1kqw s VAL 125 CO 0.14 0.09 -0.07 0.00 0.00 0.00 0.00 175.10 175.26 1kqw s HIS 127 N -0.22 2.85 0.05 0.00 2.46 -0.73 -0.49 115.29 119.22 1kqw s HIS 127 Ca 0.03 -1.06 0.09 0.00 0.47 0.00 0.00 55.06 54.58 1kqw s HIS 127 Cb -0.13 -1.97 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 1kqw s HIS 127 CO 0.03 -0.53 -0.24 -0.65 -2.47 0.00 0.00 174.74 170.88 1kqw s GLN 128 N 1.09 1.86 -0.02 2.88 -0.21 0.22 -1.14 119.66 124.34 1kqw s GLN 128 Ca 0.00 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.33 1kqw s GLN 128 Cb -0.14 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 31.82 1kqw s GLN 128 CO -0.03 0.52 -0.13 0.08 -2.12 0.00 0.00 175.29 173.61 1kqw s VAL 129 N -0.87 1.04 0.03 1.09 1.01 -0.79 -1.16 120.40 120.75 1kqw s VAL 129 Ca 0.13 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1kqw s VAL 129 Cb -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1kqw s VAL 129 CO 0.03 0.31 -0.17 -0.36 0.00 0.00 0.00 175.10 174.91 1kqw s PHE 130 N -0.03 1.48 -0.17 5.22 0.40 0.58 -0.10 117.98 125.36 1kqw s PHE 130 Ca -0.00 -0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1kqw s PHE 130 Cb -0.08 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 1kqw s PHE 130 CO 0.01 0.04 0.12 0.21 0.70 0.00 0.00 175.22 176.29 1kqw s LYS 131 N -0.95 3.90 0.08 0.44 2.20 0.65 -0.74 119.74 125.31 1kqw s LYS 131 Ca 0.05 -0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.13 1kqw s LYS 131 Cb -0.08 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 1kqw s LYS 131 CO 0.01 0.45 1.59 0.21 -0.36 0.00 0.00 175.35 177.25 1kqw s LYS 132 N -0.09 4.22 -0.17 4.03 2.20 -0.97 -1.03 119.74 127.93 1kqw s LYS 132 Ca 0.09 2.28 -0.16 0.00 -0.36 0.00 0.00 55.97 57.83 1kqw s LYS 132 Cb -0.11 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1kqw s LYS 132 CO 0.00 -0.67 -0.32 1.17 -0.36 0.00 0.00 175.35 175.17 1kqw n LYS 133 N 5.15 0.49 0.00 4.03 3.00 0.44 -4.95 118.16 126.33 1kqw n LYS 133 Ca 0.15 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1kqw n LYS 133 Cb 0.41 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.08 1kqw n LYS 133 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67